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 3ar9_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 0.000 176.220 176.300 -0.134 0.000 1.140 1 M CA 0.000 55.153 55.300 -0.246 0.000 0.988 1 M CB 0.000 32.257 32.600 -0.571 0.000 1.302 2 E N 1.880 122.034 120.200 -0.076 0.000 2.373 2 E HA 0.639 4.989 4.350 0.001 0.000 0.263 2 E C 0.909 177.479 176.600 -0.051 0.000 1.073 2 E CA 0.937 57.330 56.400 -0.013 0.000 0.894 2 E CB 1.050 30.767 29.700 0.028 0.000 1.008 2 E HN 0.827 nan 8.360 nan 0.000 0.420 3 A N 1.410 124.244 122.820 0.022 0.000 3.201 3 A HA -0.274 4.046 4.320 0.001 0.000 0.260 3 A C 1.509 178.952 177.584 -0.235 0.000 1.222 3 A CA 1.067 53.049 52.037 -0.092 0.000 1.124 3 A CB -2.269 16.663 19.000 -0.112 0.000 1.155 3 A HN 0.704 nan 8.150 nan 0.000 0.924 4 A N 0.314 123.064 122.820 -0.116 0.000 2.070 4 A HA -0.074 4.246 4.320 0.001 0.000 0.220 4 A C 1.750 179.280 177.584 -0.091 0.000 1.159 4 A CA 1.968 53.935 52.037 -0.118 0.000 0.656 4 A CB -1.073 17.892 19.000 -0.058 0.000 0.800 4 A HN 1.537 nan 8.150 nan 0.000 0.453 5 H N -0.231 118.821 119.070 -0.029 0.000 2.423 5 H HA -0.065 4.492 4.556 0.001 0.000 0.297 5 H C 1.817 177.148 175.328 0.005 0.000 1.075 5 H CA 1.705 57.743 56.048 -0.017 0.000 1.342 5 H CB -0.598 29.169 29.762 0.009 0.000 1.395 5 H HN 0.550 nan 8.280 nan 0.000 0.530 6 S N -0.214 115.097 115.700 -0.649 0.000 2.501 6 S HA 0.109 4.580 4.470 0.001 0.000 0.220 6 S C 0.788 175.291 174.600 -0.160 0.000 0.997 6 S CA -0.309 57.680 58.200 -0.352 0.000 0.919 6 S CB 0.220 63.163 63.200 -0.430 0.000 0.778 6 S HN 0.062 nan 8.310 nan 0.000 0.523 7 K N 3.020 123.328 120.400 -0.153 0.000 2.118 7 K HA 0.489 4.809 4.320 0.001 0.000 0.264 7 K C 0.481 177.063 176.600 -0.031 0.000 1.000 7 K CA -0.275 55.965 56.287 -0.080 0.000 0.929 7 K CB 1.274 33.719 32.500 -0.092 0.000 1.021 7 K HN 0.362 nan 8.250 nan 0.000 0.463 8 S N -0.410 115.286 115.700 -0.006 0.000 2.634 8 S HA 0.031 4.502 4.470 0.001 0.000 0.261 8 S C 1.286 175.898 174.600 0.021 0.000 1.271 8 S CA 0.259 58.468 58.200 0.015 0.000 0.985 8 S CB 0.730 63.941 63.200 0.019 0.000 0.968 8 S HN 0.701 nan 8.310 nan 0.000 0.568 9 T N -0.917 113.654 114.554 0.028 0.000 2.788 9 T HA -0.103 4.248 4.350 0.001 0.000 0.268 9 T C 1.235 175.960 174.700 0.043 0.000 1.044 9 T CA 1.471 63.590 62.100 0.031 0.000 1.139 9 T CB -0.804 68.080 68.868 0.027 0.000 0.867 9 T HN 0.713 nan 8.240 nan 0.000 0.454 10 E N 1.731 121.956 120.200 0.040 0.000 2.107 10 E HA -0.011 4.340 4.350 0.001 0.000 0.191 10 E C 2.238 178.876 176.600 0.064 0.000 0.982 10 E CA 1.037 57.466 56.400 0.048 0.000 0.809 10 E CB -0.411 29.310 29.700 0.036 0.000 0.756 10 E HN 0.670 nan 8.360 nan 0.000 0.459 11 E N -0.000 120.233 120.200 0.055 0.000 2.153 11 E HA -0.163 4.188 4.350 0.001 0.000 0.194 11 E C 1.744 178.409 176.600 0.108 0.000 0.988 11 E CA 1.181 57.620 56.400 0.065 0.000 0.811 11 E CB -0.168 29.552 29.700 0.032 0.000 0.746 11 E HN 0.291 nan 8.360 nan 0.000 0.466 12 C N 0.269 119.631 119.300 0.103 0.000 2.467 12 C HA 0.010 4.470 4.460 0.001 0.000 0.279 12 C C 2.519 177.684 174.990 0.293 0.000 1.347 12 C CA 0.097 59.217 59.018 0.171 0.000 1.748 12 C CB -0.706 27.101 27.740 0.112 0.000 1.977 12 C HN 0.375 nan 8.230 nan 0.000 0.501 13 L N 1.161 122.501 121.223 0.194 0.000 2.023 13 L HA -0.087 4.253 4.340 0.001 0.000 0.205 13 L C 2.934 179.929 176.870 0.208 0.000 1.073 13 L CA 1.574 56.529 54.840 0.192 0.000 0.745 13 L CB -0.884 41.241 42.059 0.111 0.000 0.900 13 L HN 0.293 nan 8.230 nan 0.000 0.435 14 A N -0.324 122.588 122.820 0.153 0.000 1.873 14 A HA -0.341 3.979 4.320 0.001 0.000 0.218 14 A C 2.234 179.891 177.584 0.121 0.000 1.193 14 A CA 2.051 54.156 52.037 0.114 0.000 0.629 14 A CB -1.251 17.799 19.000 0.083 0.000 0.826 14 A HN 0.502 nan 8.150 nan 0.000 0.447 15 Y N -0.944 119.360 120.300 0.007 0.000 2.181 15 Y HA -0.255 4.295 4.550 0.001 0.000 0.284 15 Y C 1.577 177.353 175.900 -0.207 0.000 1.179 15 Y CA 2.173 60.198 58.100 -0.124 0.000 1.179 15 Y CB -0.305 38.035 38.460 -0.200 0.000 0.973 15 Y HN 0.284 nan 8.280 nan 0.000 0.519 16 F N -0.600 119.460 119.950 0.183 0.000 2.695 16 F HA 0.303 4.831 4.527 0.001 0.000 0.303 16 F C 1.685 177.556 175.800 0.120 0.000 1.091 16 F CA 0.412 58.493 58.000 0.135 0.000 1.300 16 F CB 0.236 39.358 39.000 0.204 0.000 1.071 16 F HN 0.039 nan 8.300 nan 0.000 0.578 17 G N 2.024 110.953 108.800 0.216 0.000 2.323 17 G HA2 -0.212 3.748 3.960 0.001 0.000 0.292 17 G HA3 -0.212 3.748 3.960 0.001 0.000 0.292 17 G C -0.357 174.637 174.900 0.157 0.000 1.040 17 G CA 0.456 45.643 45.100 0.145 0.000 0.942 17 G HN 0.322 nan 8.290 nan 0.000 0.506 18 V N -0.632 119.386 119.914 0.174 0.000 2.864 18 V HA 0.863 4.984 4.120 0.001 0.000 0.314 18 V C 0.506 176.648 176.094 0.081 0.000 1.073 18 V CA -0.001 62.373 62.300 0.124 0.000 0.956 18 V CB 2.136 34.039 31.823 0.134 0.000 1.023 18 V HN 0.956 nan 8.190 nan 0.000 0.435 19 S N 2.939 118.669 115.700 0.050 0.000 2.499 19 S HA 0.266 4.737 4.470 0.001 0.000 0.279 19 S C 0.870 175.479 174.600 0.015 0.000 1.219 19 S CA 0.175 58.391 58.200 0.027 0.000 1.062 19 S CB 1.152 64.360 63.200 0.014 0.000 0.978 19 S HN 0.964 nan 8.310 nan 0.000 0.489 20 E N 2.587 122.790 120.200 0.004 0.000 2.204 20 E HA -0.123 4.227 4.350 0.001 0.000 0.194 20 E C 1.606 178.169 176.600 -0.061 0.000 0.989 20 E CA 1.599 57.990 56.400 -0.015 0.000 0.824 20 E CB -0.052 29.640 29.700 -0.013 0.000 0.756 20 E HN 0.909 nan 8.360 nan 0.000 0.477 21 T N -2.592 111.924 114.554 -0.064 0.000 2.978 21 T HA -0.054 4.296 4.350 0.001 0.000 0.262 21 T C 1.963 176.594 174.700 -0.114 0.000 1.063 21 T CA 1.357 63.391 62.100 -0.110 0.000 1.140 21 T CB -0.058 68.765 68.868 -0.076 0.000 0.886 21 T HN 0.185 nan 8.240 nan 0.000 0.470 22 T N -2.297 112.229 114.554 -0.046 0.000 2.978 22 T HA 0.539 4.889 4.350 0.001 0.000 0.248 22 T C 1.324 176.047 174.700 0.038 0.000 1.018 22 T CA 0.528 62.623 62.100 -0.008 0.000 1.026 22 T CB -0.213 68.655 68.868 0.001 0.000 1.032 22 T HN 1.190 nan 8.240 nan 0.000 0.485 23 G N 1.756 110.576 108.800 0.033 0.000 2.796 23 G HA2 -0.091 3.870 3.960 0.001 0.000 0.571 23 G HA3 -0.091 3.870 3.960 0.001 0.000 0.571 23 G C -0.569 174.348 174.900 0.028 0.000 1.370 23 G CA -0.610 44.520 45.100 0.049 0.000 0.856 23 G HN 0.667 nan 8.290 nan 0.000 0.538 24 L N 0.756 121.988 121.223 0.013 0.000 2.516 24 L HA 0.297 4.638 4.340 0.001 0.000 0.288 24 L C 1.808 178.663 176.870 -0.025 0.000 1.246 24 L CA 0.712 55.541 54.840 -0.020 0.000 0.844 24 L CB 0.054 42.076 42.059 -0.062 0.000 1.106 24 L HN 1.015 nan 8.230 nan 0.000 0.509 25 T N -1.344 113.186 114.554 -0.041 0.000 2.909 25 T HA 0.268 4.618 4.350 0.001 0.000 0.286 25 T C -1.514 173.156 174.700 -0.050 0.000 1.002 25 T CA -1.921 60.160 62.100 -0.032 0.000 1.074 25 T CB 1.515 70.367 68.868 -0.026 0.000 0.984 25 T HN 0.464 nan 8.240 nan 0.000 0.495 26 P HA -0.175 nan 4.420 nan 0.000 0.218 26 P C 0.850 178.123 177.300 -0.046 0.000 1.146 26 P CA 1.361 64.439 63.100 -0.036 0.000 0.820 26 P CB 0.143 31.830 31.700 -0.021 0.000 0.778 27 D N -0.233 120.140 120.400 -0.046 0.000 2.103 27 D HA -0.155 4.485 4.640 0.001 0.000 0.199 27 D C 2.287 178.539 176.300 -0.080 0.000 0.978 27 D CA 1.190 55.163 54.000 -0.045 0.000 0.829 27 D CB -0.430 40.351 40.800 -0.032 0.000 0.981 27 D HN 0.101 nan 8.370 nan 0.000 0.464 28 Q N -0.276 119.447 119.800 -0.127 0.000 2.061 28 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 28 Q C 2.412 178.188 176.000 -0.373 0.000 0.984 28 Q CA 1.386 57.020 55.803 -0.281 0.000 0.846 28 Q CB -0.073 28.476 28.738 -0.315 0.000 0.902 28 Q HN 0.224 nan 8.270 nan 0.000 0.421 29 V N 1.705 121.487 119.914 -0.219 0.000 2.324 29 V HA -0.333 3.787 4.120 0.001 0.000 0.250 29 V C 2.291 178.350 176.094 -0.059 0.000 1.060 29 V CA 2.207 64.432 62.300 -0.126 0.000 1.042 29 V CB -0.634 31.146 31.823 -0.071 0.000 0.650 29 V HN 0.393 nan 8.190 nan 0.000 0.450 30 K N 0.777 121.146 120.400 -0.051 0.000 2.148 30 K HA -0.133 4.187 4.320 0.001 0.000 0.204 30 K C 2.084 178.691 176.600 0.013 0.000 1.050 30 K CA 1.549 57.827 56.287 -0.015 0.000 0.942 30 K CB -0.395 32.097 32.500 -0.013 0.000 0.724 30 K HN 0.344 nan 8.250 nan 0.000 0.446 31 R N -0.545 119.958 120.500 0.005 0.000 2.073 31 R HA -0.001 4.339 4.340 0.001 0.000 0.229 31 R C 2.331 178.743 176.300 0.188 0.000 1.120 31 R CA 1.690 57.830 56.100 0.067 0.000 0.967 31 R CB -0.457 29.881 30.300 0.064 0.000 0.862 31 R HN 0.543 nan 8.270 nan 0.000 0.436 32 H N 0.188 119.316 119.070 0.097 0.000 2.423 32 H HA -0.040 4.517 4.556 0.001 0.000 0.297 32 H C 2.233 177.677 175.328 0.194 0.000 1.075 32 H CA 0.584 56.770 56.048 0.230 0.000 1.342 32 H CB 0.166 30.111 29.762 0.306 0.000 1.395 32 H HN 0.107 nan 8.280 nan 0.000 0.530 33 L N 0.712 122.055 121.223 0.200 0.000 2.083 33 L HA -0.194 4.147 4.340 0.001 0.000 0.209 33 L C 2.522 179.441 176.870 0.082 0.000 1.083 33 L CA 1.146 56.030 54.840 0.073 0.000 0.752 33 L CB -0.037 41.996 42.059 -0.043 0.000 0.899 33 L HN 0.262 nan 8.230 nan 0.000 0.433 34 E N 0.417 120.657 120.200 0.067 0.000 2.031 34 E HA -0.283 4.067 4.350 0.001 0.000 0.193 34 E C 2.108 178.701 176.600 -0.012 0.000 0.994 34 E CA 1.539 57.960 56.400 0.034 0.000 0.800 34 E CB -0.027 29.686 29.700 0.021 0.000 0.752 34 E HN 0.214 nan 8.360 nan 0.000 0.447 35 K N -1.558 118.789 120.400 -0.089 0.000 2.366 35 K HA -0.079 4.242 4.320 0.001 0.000 0.198 35 K C 0.807 177.149 176.600 -0.431 0.000 1.044 35 K CA 0.921 57.019 56.287 -0.316 0.000 0.973 35 K CB 0.105 32.283 32.500 -0.537 0.000 0.767 35 K HN 0.273 nan 8.250 nan 0.000 0.475 36 Y N -0.778 119.563 120.300 0.070 0.000 2.423 36 Y HA 0.245 4.795 4.550 0.001 0.000 0.257 36 Y C 0.780 176.723 175.900 0.071 0.000 1.087 36 Y CA -0.147 57.993 58.100 0.067 0.000 1.258 36 Y CB 1.474 39.976 38.460 0.071 0.000 1.237 36 Y HN 0.181 nan 8.280 nan 0.000 0.517 37 G N 0.813 109.736 108.800 0.206 0.000 2.814 37 G HA2 -0.249 3.711 3.960 0.001 0.000 0.677 37 G HA3 -0.249 3.711 3.960 0.001 0.000 0.677 37 G C -0.952 174.058 174.900 0.183 0.000 1.429 37 G CA -0.706 44.516 45.100 0.203 0.000 0.868 37 G HN 0.363 nan 8.290 nan 0.000 0.553 38 H N -0.397 118.722 119.070 0.082 0.000 2.745 38 H HA 0.347 4.904 4.556 0.001 0.000 0.373 38 H C 1.151 176.513 175.328 0.057 0.000 1.226 38 H CA 0.632 56.717 56.048 0.063 0.000 1.435 38 H CB 0.465 30.254 29.762 0.044 0.000 1.461 38 H HN 0.633 nan 8.280 nan 0.000 0.616 39 N N 1.695 120.483 118.700 0.146 0.000 3.034 39 N HA 0.064 4.805 4.740 0.001 0.000 0.265 39 N C -1.296 174.266 175.510 0.086 0.000 1.166 39 N CA -0.314 52.787 53.050 0.085 0.000 1.081 39 N CB -0.194 38.316 38.487 0.037 0.000 1.378 39 N HN 0.680 nan 8.380 nan 0.000 0.520 40 E N 0.583 120.838 120.200 0.092 0.000 2.437 40 E HA 0.345 4.696 4.350 0.001 0.000 0.280 40 E C -1.385 175.252 176.600 0.061 0.000 1.044 40 E CA -1.016 55.425 56.400 0.069 0.000 0.826 40 E CB 0.714 30.452 29.700 0.063 0.000 1.358 40 E HN -0.076 nan 8.360 nan 0.000 0.459 41 L N 1.974 123.226 121.223 0.049 0.000 2.295 41 L HA 0.456 4.797 4.340 0.001 0.000 0.285 41 L C -2.068 174.822 176.870 0.032 0.000 1.035 41 L CA -2.151 52.714 54.840 0.043 0.000 0.806 41 L CB 0.334 42.419 42.059 0.042 0.000 1.214 41 L HN 0.568 nan 8.230 nan 0.000 0.426 42 P HA 0.034 nan 4.420 nan 0.000 0.265 42 P C -0.469 176.841 177.300 0.016 0.000 1.187 42 P CA -0.385 62.727 63.100 0.021 0.000 0.766 42 P CB 0.689 32.402 31.700 0.022 0.000 0.820 43 A N 2.871 125.697 122.820 0.011 0.000 2.522 43 A HA 0.019 4.339 4.320 0.001 0.000 0.256 43 A C 0.559 178.149 177.584 0.009 0.000 1.086 43 A CA -0.090 51.952 52.037 0.009 0.000 0.763 43 A CB -0.591 18.412 19.000 0.005 0.000 1.024 43 A HN 0.625 nan 8.150 nan 0.000 0.502 44 E N 2.407 122.612 120.200 0.009 0.000 2.105 44 E HA 0.300 4.650 4.350 0.001 0.000 0.285 44 E C -0.571 176.033 176.600 0.007 0.000 1.055 44 E CA 0.055 56.459 56.400 0.007 0.000 0.843 44 E CB 0.318 30.021 29.700 0.005 0.000 1.067 44 E HN 0.726 nan 8.360 nan 0.000 0.398 45 E N 2.017 122.222 120.200 0.008 0.000 2.331 45 E HA 0.691 5.041 4.350 0.001 0.000 0.275 45 E C -0.786 175.821 176.600 0.013 0.000 0.895 45 E CA -1.028 55.379 56.400 0.011 0.000 0.753 45 E CB 2.258 31.966 29.700 0.013 0.000 1.216 45 E HN 0.522 nan 8.360 nan 0.000 0.434 46 G N 1.412 110.221 108.800 0.015 0.000 2.616 46 G HA2 0.367 4.328 3.960 0.001 0.000 0.294 46 G HA3 0.367 4.328 3.960 0.001 0.000 0.294 46 G C -1.314 173.599 174.900 0.021 0.000 1.489 46 G CA -0.978 44.133 45.100 0.018 0.000 0.836 46 G HN 0.419 nan 8.290 nan 0.000 0.527 47 K N 0.377 120.794 120.400 0.029 0.000 5.760 47 K HA -0.162 4.159 4.320 0.001 0.000 0.466 47 K C 1.044 177.671 176.600 0.045 0.000 1.122 47 K CA 0.780 57.087 56.287 0.034 0.000 1.299 47 K CB -1.013 31.496 32.500 0.015 0.000 1.874 47 K HN 1.182 nan 8.250 nan 0.000 0.355 48 S N 1.500 117.244 115.700 0.074 0.000 2.633 48 S HA 0.168 4.638 4.470 0.001 0.000 0.257 48 S C 1.190 175.853 174.600 0.105 0.000 1.265 48 S CA -0.452 57.802 58.200 0.091 0.000 0.980 48 S CB 0.674 63.945 63.200 0.118 0.000 1.017 48 S HN 0.488 nan 8.310 nan 0.000 0.577 49 L N 0.170 121.466 121.223 0.121 0.000 2.353 49 L HA 0.053 4.393 4.340 0.001 0.000 0.220 49 L C 1.767 178.743 176.870 0.175 0.000 1.133 49 L CA 1.458 56.373 54.840 0.124 0.000 0.798 49 L CB -0.753 41.383 42.059 0.130 0.000 0.922 49 L HN 0.833 nan 8.230 nan 0.000 0.445 50 W N -0.319 120.998 121.300 0.028 0.000 2.630 50 W HA -0.005 4.655 4.660 0.000 0.000 0.271 50 W C 1.699 178.240 176.519 0.037 0.000 1.244 50 W CA 0.317 57.684 57.345 0.038 0.000 1.353 50 W CB 0.318 29.800 29.460 0.037 0.000 1.080 50 W HN 0.137 nan 8.180 nan 0.000 0.594 51 E N 1.330 121.603 120.200 0.122 0.000 2.268 51 E HA -0.150 4.201 4.350 0.001 0.000 0.195 51 E C 2.207 178.765 176.600 -0.070 0.000 0.995 51 E CA 0.949 57.367 56.400 0.030 0.000 0.836 51 E CB -0.723 29.024 29.700 0.078 0.000 0.763 51 E HN 0.422 nan 8.360 nan 0.000 0.491 52 L N 0.119 121.296 121.223 -0.077 0.000 2.072 52 L HA -0.104 4.236 4.340 0.001 0.000 0.205 52 L C 2.402 179.156 176.870 -0.194 0.000 1.079 52 L CA 0.591 55.369 54.840 -0.104 0.000 0.752 52 L CB -0.420 41.597 42.059 -0.070 0.000 0.906 52 L HN -0.023 nan 8.230 nan 0.000 0.436 53 V N 0.174 119.922 119.914 -0.277 0.000 2.469 53 V HA -0.290 3.830 4.120 0.001 0.000 0.251 53 V C 2.458 178.361 176.094 -0.319 0.000 1.064 53 V CA 1.274 63.347 62.300 -0.378 0.000 1.066 53 V CB -0.451 31.044 31.823 -0.547 0.000 0.667 53 V HN 0.269 nan 8.190 nan 0.000 0.461 54 I N 1.201 121.577 120.570 -0.323 0.000 2.090 54 I HA -0.230 3.940 4.170 0.001 0.000 0.236 54 I C 2.727 178.802 176.117 -0.070 0.000 1.064 54 I CA 2.138 63.343 61.300 -0.159 0.000 1.324 54 I CB -1.549 36.383 38.000 -0.112 0.000 1.044 54 I HN 0.567 nan 8.210 nan 0.000 0.399 55 E N 0.515 120.663 120.200 -0.087 0.000 2.333 55 E HA -0.227 4.123 4.350 0.001 0.000 0.198 55 E C 1.871 178.406 176.600 -0.109 0.000 1.007 55 E CA 0.616 56.977 56.400 -0.065 0.000 0.845 55 E CB -0.291 29.376 29.700 -0.055 0.000 0.766 55 E HN 0.509 nan 8.360 nan 0.000 0.507 56 Q N 0.396 120.070 119.800 -0.210 0.000 2.020 56 Q HA -0.102 4.238 4.340 0.001 0.000 0.202 56 Q C 1.422 177.192 176.000 -0.383 0.000 0.982 56 Q CA 1.275 56.856 55.803 -0.370 0.000 0.838 56 Q CB -0.230 28.128 28.738 -0.633 0.000 0.899 56 Q HN 0.416 nan 8.270 nan 0.000 0.423 57 F N 0.971 120.874 119.950 -0.078 0.000 2.725 57 F HA 0.046 4.573 4.527 0.001 0.000 0.303 57 F C 1.744 177.519 175.800 -0.042 0.000 1.167 57 F CA 0.264 58.229 58.000 -0.058 0.000 1.403 57 F CB 0.156 39.114 39.000 -0.071 0.000 1.077 57 F HN 0.000 nan 8.300 nan 0.000 0.537 58 E N -0.086 120.150 120.200 0.060 0.000 2.442 58 E HA -0.073 4.277 4.350 0.001 0.000 0.195 58 E C 0.105 176.723 176.600 0.029 0.000 1.030 58 E CA 0.188 56.613 56.400 0.041 0.000 0.869 58 E CB -0.135 29.573 29.700 0.012 0.000 0.857 58 E HN 0.329 nan 8.360 nan 0.000 0.505 59 D N 0.852 121.264 120.400 0.020 0.000 2.434 59 D HA -0.082 4.558 4.640 0.001 0.000 0.252 59 D C 1.237 177.556 176.300 0.032 0.000 1.185 59 D CA -0.113 53.898 54.000 0.019 0.000 0.886 59 D CB 0.678 41.483 40.800 0.008 0.000 1.148 59 D HN -0.130 nan 8.370 nan 0.000 0.483 60 L N 5.053 126.288 121.223 0.021 0.000 2.013 60 L HA -0.194 4.147 4.340 0.001 0.000 0.212 60 L C 1.726 178.603 176.870 0.012 0.000 1.073 60 L CA 1.776 56.622 54.840 0.011 0.000 0.753 60 L CB -0.558 41.497 42.059 -0.007 0.000 0.890 60 L HN 0.697 nan 8.230 nan 0.000 0.432 61 L N -1.962 119.272 121.223 0.019 0.000 2.012 61 L HA -0.240 4.101 4.340 0.001 0.000 0.210 61 L C 2.419 179.312 176.870 0.040 0.000 1.073 61 L CA 1.340 56.195 54.840 0.025 0.000 0.748 61 L CB -0.892 41.199 42.059 0.054 0.000 0.891 61 L HN 0.136 nan 8.230 nan 0.000 0.431 62 V N -0.182 119.766 119.914 0.056 0.000 2.261 62 V HA -0.297 3.823 4.120 0.001 0.000 0.246 62 V C 2.633 178.779 176.094 0.086 0.000 1.047 62 V CA 1.851 64.204 62.300 0.089 0.000 1.015 62 V CB -0.697 31.204 31.823 0.130 0.000 0.642 62 V HN 0.389 nan 8.190 nan 0.000 0.446 63 R N -0.417 120.127 120.500 0.074 0.000 2.103 63 R HA -0.148 4.193 4.340 0.001 0.000 0.242 63 R C 2.251 178.566 176.300 0.024 0.000 1.142 63 R CA 1.850 57.978 56.100 0.047 0.000 0.960 63 R CB -0.461 29.861 30.300 0.036 0.000 0.858 63 R HN 0.470 nan 8.270 nan 0.000 0.439 64 I N 0.216 120.797 120.570 0.018 0.000 2.252 64 I HA -0.252 3.919 4.170 0.001 0.000 0.245 64 I C 2.097 178.221 176.117 0.012 0.000 1.102 64 I CA 0.785 62.088 61.300 0.006 0.000 1.385 64 I CB -0.147 37.850 38.000 -0.006 0.000 1.064 64 I HN 0.144 nan 8.210 nan 0.000 0.414 65 L N 0.118 121.355 121.223 0.024 0.000 2.456 65 L HA -0.115 4.226 4.340 0.001 0.000 0.224 65 L C 1.863 178.751 176.870 0.030 0.000 1.148 65 L CA 1.429 56.287 54.840 0.029 0.000 0.825 65 L CB -0.244 41.839 42.059 0.041 0.000 0.937 65 L HN 0.175 nan 8.230 nan 0.000 0.450 66 L N -1.981 119.257 121.223 0.026 0.000 2.286 66 L HA 0.087 4.427 4.340 0.001 0.000 0.203 66 L C 1.950 178.820 176.870 -0.001 0.000 1.068 66 L CA 1.022 55.868 54.840 0.009 0.000 0.811 66 L CB -0.508 41.546 42.059 -0.008 0.000 0.989 66 L HN 0.211 nan 8.230 nan 0.000 0.467 67 L N 0.122 121.344 121.223 -0.001 0.000 2.265 67 L HA 0.009 4.349 4.340 0.001 0.000 0.215 67 L C 2.243 179.117 176.870 0.006 0.000 1.117 67 L CA 1.905 56.742 54.840 -0.004 0.000 0.782 67 L CB -0.874 41.183 42.059 -0.003 0.000 0.914 67 L HN 0.289 nan 8.230 nan 0.000 0.441 68 A N -0.989 121.837 122.820 0.011 0.000 1.935 68 A HA 0.186 4.506 4.320 0.001 0.000 0.214 68 A C 2.400 180.002 177.584 0.031 0.000 1.178 68 A CA 0.938 52.984 52.037 0.015 0.000 0.640 68 A CB -0.792 18.212 19.000 0.008 0.000 0.825 68 A HN 0.458 nan 8.150 nan 0.000 0.447 69 A N -0.798 122.047 122.820 0.042 0.000 2.019 69 A HA -0.145 4.175 4.320 0.001 0.000 0.219 69 A C 2.188 179.850 177.584 0.130 0.000 1.164 69 A CA 1.640 53.727 52.037 0.083 0.000 0.644 69 A CB -1.147 17.903 19.000 0.082 0.000 0.805 69 A HN 0.584 nan 8.150 nan 0.000 0.449 70 C N -0.707 118.632 119.300 0.066 0.000 2.446 70 C HA -0.015 4.446 4.460 0.001 0.000 0.277 70 C C 2.535 177.559 174.990 0.058 0.000 1.275 70 C CA 0.766 59.810 59.018 0.043 0.000 1.727 70 C CB -1.240 26.485 27.740 -0.025 0.000 2.010 70 C HN 0.632 nan 8.230 nan 0.000 0.486 71 I N 0.830 121.412 120.570 0.020 0.000 2.142 71 I HA -0.196 3.975 4.170 0.001 0.000 0.240 71 I C 2.727 178.836 176.117 -0.015 0.000 1.078 71 I CA 1.849 63.133 61.300 -0.026 0.000 1.343 71 I CB -0.767 37.242 38.000 0.016 0.000 1.046 71 I HN 0.292 nan 8.210 nan 0.000 0.405 72 S N 0.539 116.250 115.700 0.019 0.000 2.419 72 S HA -0.229 4.241 4.470 0.001 0.000 0.235 72 S C 2.003 176.587 174.600 -0.026 0.000 1.019 72 S CA 1.372 59.566 58.200 -0.009 0.000 0.982 72 S CB -0.450 62.753 63.200 0.004 0.000 0.789 72 S HN 0.381 nan 8.310 nan 0.000 0.490 73 F N 1.553 121.456 119.950 -0.078 0.000 2.206 73 F HA 0.057 4.584 4.527 0.001 0.000 0.298 73 F C 2.122 177.861 175.800 -0.102 0.000 1.090 73 F CA 1.054 59.009 58.000 -0.076 0.000 1.323 73 F CB -0.337 38.667 39.000 0.006 0.000 1.028 73 F HN 0.059 nan 8.300 nan 0.000 0.492 74 V N 0.419 120.422 119.914 0.148 0.000 2.515 74 V HA -0.245 3.875 4.120 0.001 0.000 0.250 74 V C 1.954 177.969 176.094 -0.132 0.000 1.058 74 V CA 1.331 63.638 62.300 0.013 0.000 1.064 74 V CB -0.714 30.999 31.823 -0.183 0.000 0.675 74 V HN 0.258 nan 8.190 nan 0.000 0.461 75 L N -0.035 121.093 121.223 -0.158 0.000 2.645 75 L HA 0.217 4.557 4.340 0.001 0.000 0.234 75 L C 2.093 178.879 176.870 -0.139 0.000 1.165 75 L CA 0.461 55.216 54.840 -0.142 0.000 0.944 75 L CB -0.527 41.464 42.059 -0.114 0.000 1.149 75 L HN 0.295 nan 8.230 nan 0.000 0.446 76 A N -0.414 122.244 122.820 -0.271 0.000 1.901 76 A HA -0.116 4.204 4.320 0.001 0.000 0.210 76 A C 1.874 179.232 177.584 -0.376 0.000 1.208 76 A CA 0.177 51.816 52.037 -0.664 0.000 0.644 76 A CB -0.492 17.519 19.000 -1.648 0.000 0.863 76 A HN 0.557 nan 8.150 nan 0.000 0.454 77 W N -0.132 121.055 121.300 -0.189 0.000 2.476 77 W HA 0.075 4.735 4.660 0.000 0.000 0.281 77 W C 0.530 177.170 176.519 0.201 0.000 1.230 77 W CA 0.518 57.986 57.345 0.206 0.000 1.287 77 W CB -0.388 29.295 29.460 0.371 0.000 1.108 77 W HN 0.197 nan 8.180 nan 0.000 0.567 78 F N 1.809 121.666 119.950 -0.155 0.000 2.738 78 F HA 0.054 4.581 4.527 0.000 0.000 0.301 78 F C 0.464 176.138 175.800 -0.210 0.000 1.269 78 F CA 0.679 58.496 58.000 -0.305 0.000 1.441 78 F CB -1.164 37.731 39.000 -0.174 0.000 1.101 78 F HN -0.201 nan 8.300 nan 0.000 0.545 79 E N 1.399 121.583 120.200 -0.027 0.000 2.129 79 E HA 0.164 4.514 4.350 0.001 0.000 0.268 79 E C -0.154 176.421 176.600 -0.041 0.000 0.900 79 E CA -0.566 55.825 56.400 -0.016 0.000 0.755 79 E CB 0.413 30.119 29.700 0.009 0.000 1.117 79 E HN 0.474 nan 8.360 nan 0.000 0.410 80 E N 2.226 122.393 120.200 -0.055 0.000 2.428 80 E HA 0.186 4.536 4.350 0.001 0.000 0.257 80 E C 0.277 176.870 176.600 -0.011 0.000 1.197 80 E CA -0.363 56.005 56.400 -0.054 0.000 0.974 80 E CB 0.288 29.955 29.700 -0.055 0.000 0.976 80 E HN 0.543 nan 8.360 nan 0.000 0.463 81 G N 0.848 109.644 108.800 -0.006 0.000 2.661 81 G HA2 0.053 4.014 3.960 0.001 0.000 0.292 81 G HA3 0.053 4.014 3.960 0.001 0.000 0.292 81 G C 0.341 175.247 174.900 0.010 0.000 0.781 81 G CA 0.386 45.493 45.100 0.011 0.000 1.860 81 G HN 0.731 nan 8.290 nan 0.000 0.512 82 E N 0.120 120.330 120.200 0.016 0.000 2.090 82 E HA -0.019 4.332 4.350 0.001 0.000 0.208 82 E C 0.652 177.264 176.600 0.021 0.000 1.032 82 E CA -0.133 56.276 56.400 0.016 0.000 1.430 82 E CB 0.089 29.798 29.700 0.015 0.000 3.680 82 E HN 0.447 nan 8.360 nan 0.000 1.007 83 E N 0.617 120.832 120.200 0.025 0.000 2.753 83 E HA 0.067 4.417 4.350 0.001 0.000 0.218 83 E C 0.341 176.961 176.600 0.033 0.000 0.956 83 E CA 0.304 56.718 56.400 0.025 0.000 1.244 83 E CB 1.464 31.179 29.700 0.025 0.000 1.114 83 E HN 0.071 nan 8.360 nan 0.000 0.530 84 T N 0.701 115.285 114.554 0.050 0.000 3.439 84 T HA 0.152 4.502 4.350 0.001 0.000 0.251 84 T C 1.227 175.992 174.700 0.108 0.000 1.108 84 T CA 0.157 62.315 62.100 0.095 0.000 0.982 84 T CB -0.374 68.568 68.868 0.123 0.000 1.024 84 T HN 0.261 nan 8.240 nan 0.000 0.573 85 I N 0.764 121.372 120.570 0.063 0.000 2.852 85 I HA 0.072 4.242 4.170 0.001 0.000 0.264 85 I C 1.350 177.493 176.117 0.043 0.000 1.179 85 I CA 1.155 62.482 61.300 0.045 0.000 1.480 85 I CB 0.417 38.430 38.000 0.021 0.000 1.111 85 I HN 0.385 nan 8.210 nan 0.000 0.441 86 T N -2.953 111.625 114.554 0.040 0.000 3.460 86 T HA 0.440 4.791 4.350 0.001 0.000 0.304 86 T C 1.086 175.800 174.700 0.023 0.000 0.991 86 T CA 0.151 62.264 62.100 0.022 0.000 0.975 86 T CB 0.485 69.335 68.868 -0.029 0.000 1.196 86 T HN 0.128 nan 8.240 nan 0.000 0.490 87 A N 0.590 123.448 122.820 0.063 0.000 2.067 87 A HA 0.303 4.623 4.320 0.001 0.000 0.219 87 A C 1.230 178.663 177.584 -0.251 0.000 1.158 87 A CA 0.744 52.744 52.037 -0.061 0.000 0.661 87 A CB -0.746 18.228 19.000 -0.044 0.000 0.801 87 A HN 0.567 nan 8.150 nan 0.000 0.452 88 F N -1.769 118.108 119.950 -0.122 0.000 2.678 88 F HA 0.142 4.669 4.527 0.001 0.000 0.305 88 F C 1.880 177.604 175.800 -0.127 0.000 1.090 88 F CA -0.029 57.839 58.000 -0.220 0.000 1.272 88 F CB 0.115 38.960 39.000 -0.259 0.000 1.060 88 F HN -0.025 nan 8.300 nan 0.000 0.576 89 V N 0.268 120.224 119.914 0.070 0.000 2.261 89 V HA -0.300 3.820 4.120 0.001 0.000 0.246 89 V C 2.456 178.605 176.094 0.091 0.000 1.047 89 V CA 2.365 64.713 62.300 0.080 0.000 1.015 89 V CB -0.561 31.262 31.823 0.001 0.000 0.642 89 V HN 0.385 nan 8.190 nan 0.000 0.446 90 E N 0.912 121.114 120.200 0.004 0.000 2.021 90 E HA -0.239 4.112 4.350 0.001 0.000 0.200 90 E C -0.323 176.297 176.600 0.035 0.000 1.015 90 E CA 2.124 58.525 56.400 0.001 0.000 0.824 90 E CB -1.053 28.626 29.700 -0.036 0.000 0.762 90 E HN 0.439 nan 8.360 nan 0.000 0.454 91 P HA -0.117 nan 4.420 nan 0.000 0.226 91 P C 0.546 177.980 177.300 0.223 0.000 1.146 91 P CA 0.934 64.070 63.100 0.058 0.000 0.773 91 P CB -0.093 31.492 31.700 -0.191 0.000 0.772 92 F N -0.534 119.442 119.950 0.043 0.000 2.208 92 F HA -0.043 4.485 4.527 0.000 0.000 0.282 92 F C 2.074 177.925 175.800 0.084 0.000 1.071 92 F CA 0.794 58.855 58.000 0.102 0.000 1.228 92 F CB -0.829 38.219 39.000 0.080 0.000 1.088 92 F HN -0.386 nan 8.300 nan 0.000 0.512 93 V N 1.645 121.581 119.914 0.036 0.000 2.317 93 V HA -0.360 3.760 4.120 0.001 0.000 0.251 93 V C 2.487 178.535 176.094 -0.076 0.000 1.065 93 V CA 2.262 64.526 62.300 -0.061 0.000 1.049 93 V CB -0.854 31.000 31.823 0.052 0.000 0.651 93 V HN 0.404 nan 8.190 nan 0.000 0.450 94 I N -0.860 119.702 120.570 -0.014 0.000 2.208 94 I HA -0.279 3.892 4.170 0.001 0.000 0.245 94 I C 2.397 178.499 176.117 -0.024 0.000 1.097 94 I CA 1.573 62.875 61.300 0.004 0.000 1.363 94 I CB -0.351 37.671 38.000 0.036 0.000 1.051 94 I HN 0.314 nan 8.210 nan 0.000 0.413 95 L N 0.491 121.679 121.223 -0.057 0.000 2.027 95 L HA -0.155 4.186 4.340 0.001 0.000 0.206 95 L C 2.278 179.057 176.870 -0.151 0.000 1.074 95 L CA 1.510 56.304 54.840 -0.076 0.000 0.745 95 L CB -0.518 41.511 42.059 -0.049 0.000 0.898 95 L HN 0.156 nan 8.230 nan 0.000 0.433 96 L N -0.978 120.046 121.223 -0.331 0.000 2.129 96 L HA -0.257 4.083 4.340 0.001 0.000 0.212 96 L C 2.277 179.075 176.870 -0.121 0.000 1.087 96 L CA 1.504 56.158 54.840 -0.310 0.000 0.757 96 L CB -0.142 41.653 42.059 -0.440 0.000 0.896 96 L HN 0.324 nan 8.230 nan 0.000 0.434 97 I N -0.913 119.611 120.570 -0.077 0.000 2.500 97 I HA -0.253 3.918 4.170 0.001 0.000 0.252 97 I C 2.151 178.272 176.117 0.008 0.000 1.142 97 I CA 0.683 61.969 61.300 -0.023 0.000 1.451 97 I CB -0.082 37.915 38.000 -0.005 0.000 1.093 97 I HN 0.233 nan 8.210 nan 0.000 0.430 98 L N 0.395 121.636 121.223 0.029 0.000 2.291 98 L HA -0.113 4.227 4.340 0.001 0.000 0.214 98 L C 2.313 179.280 176.870 0.162 0.000 1.120 98 L CA 1.126 56.030 54.840 0.107 0.000 0.799 98 L CB -0.204 41.933 42.059 0.131 0.000 0.925 98 L HN 0.238 nan 8.230 nan 0.000 0.446 99 I N -0.839 119.787 120.570 0.093 0.000 2.400 99 I HA -0.116 4.054 4.170 0.001 0.000 0.248 99 I C 2.742 178.883 176.117 0.039 0.000 1.109 99 I CA 0.761 62.124 61.300 0.105 0.000 1.425 99 I CB -0.405 37.625 38.000 0.050 0.000 1.094 99 I HN 0.120 nan 8.210 nan 0.000 0.425 100 A N 1.643 124.467 122.820 0.006 0.000 1.845 100 A HA -0.202 4.119 4.320 0.001 0.000 0.215 100 A C 1.989 179.561 177.584 -0.020 0.000 1.195 100 A CA 1.901 53.929 52.037 -0.015 0.000 0.616 100 A CB -0.794 18.191 19.000 -0.024 0.000 0.832 100 A HN 0.405 nan 8.150 nan 0.000 0.443 101 N N 0.431 119.122 118.700 -0.016 0.000 2.519 101 N HA -0.053 4.688 4.740 0.001 0.000 0.186 101 N C 1.647 177.120 175.510 -0.061 0.000 1.062 101 N CA 1.148 54.183 53.050 -0.024 0.000 0.910 101 N CB -0.396 38.084 38.487 -0.012 0.000 0.958 101 N HN 0.535 nan 8.380 nan 0.000 0.445 102 A N 1.249 124.021 122.820 -0.080 0.000 1.854 102 A HA 0.023 4.343 4.320 0.001 0.000 0.214 102 A C 2.155 179.652 177.584 -0.146 0.000 1.192 102 A CA 0.574 52.482 52.037 -0.216 0.000 0.611 102 A CB -0.490 18.396 19.000 -0.190 0.000 0.832 102 A HN 0.267 nan 8.150 nan 0.000 0.442 103 I N -0.233 120.304 120.570 -0.055 0.000 2.928 103 I HA -0.087 4.083 4.170 0.001 0.000 0.266 103 I C 1.701 177.845 176.117 0.045 0.000 1.234 103 I CA 0.534 61.831 61.300 -0.005 0.000 1.483 103 I CB 0.167 38.170 38.000 0.006 0.000 1.097 103 I HN 0.117 nan 8.210 nan 0.000 0.455 104 V N 1.034 120.961 119.914 0.021 0.000 2.515 104 V HA -0.160 3.960 4.120 0.001 0.000 0.250 104 V C 2.441 178.607 176.094 0.120 0.000 1.058 104 V CA 1.970 64.316 62.300 0.076 0.000 1.064 104 V CB -0.995 30.845 31.823 0.029 0.000 0.675 104 V HN 0.630 nan 8.190 nan 0.000 0.461 105 G N -0.691 108.127 108.800 0.030 0.000 2.453 105 G HA2 -0.098 3.862 3.960 0.001 0.000 0.215 105 G HA3 -0.098 3.862 3.960 0.001 0.000 0.215 105 G C 1.571 176.477 174.900 0.009 0.000 1.147 105 G CA 0.908 46.011 45.100 0.004 0.000 0.802 105 G HN 0.375 nan 8.290 nan 0.000 0.535 106 V N -0.435 119.485 119.914 0.011 0.000 2.515 106 V HA -0.097 4.023 4.120 0.001 0.000 0.250 106 V C 2.212 178.366 176.094 0.100 0.000 1.058 106 V CA 1.366 63.679 62.300 0.021 0.000 1.064 106 V CB -0.486 31.341 31.823 0.007 0.000 0.675 106 V HN 0.603 nan 8.190 nan 0.000 0.461 107 W N 1.141 122.418 121.300 -0.038 0.000 2.402 107 W HA -0.125 4.536 4.660 0.000 0.000 0.286 107 W C 2.026 178.533 176.519 -0.021 0.000 1.221 107 W CA 1.149 58.480 57.345 -0.022 0.000 1.257 107 W CB -0.083 29.366 29.460 -0.018 0.000 1.120 107 W HN 0.240 nan 8.180 nan 0.000 0.551 108 Q N -0.017 119.767 119.800 -0.027 0.000 2.239 108 Q HA -0.016 4.324 4.340 0.001 0.000 0.219 108 Q C 0.773 176.688 176.000 -0.140 0.000 0.901 108 Q CA 0.479 56.177 55.803 -0.175 0.000 0.949 108 Q CB 0.333 29.040 28.738 -0.052 0.000 1.038 108 Q HN 0.236 nan 8.270 nan 0.000 0.458 109 E N -0.431 119.695 120.200 -0.123 0.000 2.820 109 E HA 0.027 4.377 4.350 0.001 0.000 0.210 109 E C 1.410 177.962 176.600 -0.079 0.000 1.005 109 E CA 0.146 56.493 56.400 -0.089 0.000 1.678 109 E CB 0.050 29.716 29.700 -0.056 0.000 2.013 109 E HN 0.103 nan 8.360 nan 0.000 1.011 110 R N 0.903 121.367 120.500 -0.060 0.000 2.103 110 R HA -0.016 4.325 4.340 0.001 0.000 0.242 110 R C -0.131 176.133 176.300 -0.061 0.000 1.142 110 R CA 1.459 57.541 56.100 -0.030 0.000 0.960 110 R CB -0.367 29.945 30.300 0.020 0.000 0.858 110 R HN 0.048 nan 8.270 nan 0.000 0.439 111 N N 1.212 119.833 118.700 -0.132 0.000 2.744 111 N HA 0.097 4.837 4.740 0.001 0.000 0.290 111 N C -1.058 174.380 175.510 -0.119 0.000 1.206 111 N CA 0.676 53.639 53.050 -0.146 0.000 1.119 111 N CB 1.065 39.391 38.487 -0.268 0.000 1.449 111 N HN 0.292 nan 8.380 nan 0.000 0.514 112 A N 1.198 123.974 122.820 -0.074 0.000 2.539 112 A HA 0.501 4.821 4.320 0.001 0.000 0.296 112 A C -0.194 177.367 177.584 -0.039 0.000 1.073 112 A CA -0.798 51.203 52.037 -0.060 0.000 0.700 112 A CB 2.063 21.031 19.000 -0.053 0.000 1.296 112 A HN 0.350 nan 8.150 nan 0.000 0.405 113 E N 0.262 120.441 120.200 -0.035 0.000 2.330 113 E HA 0.271 4.621 4.350 0.001 0.000 0.256 113 E C -0.568 176.021 176.600 -0.018 0.000 1.146 113 E CA -0.734 55.652 56.400 -0.024 0.000 0.945 113 E CB 1.114 30.800 29.700 -0.024 0.000 1.182 113 E HN 0.650 nan 8.360 nan 0.000 0.480 114 N N -0.746 117.948 118.700 -0.011 0.000 2.408 114 N HA 0.275 5.016 4.740 0.001 0.000 0.280 114 N C 0.136 175.642 175.510 -0.006 0.000 1.002 114 N CA -0.203 52.843 53.050 -0.006 0.000 0.907 114 N CB 1.236 39.723 38.487 -0.000 0.000 1.161 114 N HN 0.502 nan 8.380 nan 0.000 0.488 115 A N 3.730 126.545 122.820 -0.007 0.000 1.832 115 A HA -0.107 4.214 4.320 0.001 0.000 0.214 115 A C 1.756 179.341 177.584 0.002 0.000 1.200 115 A CA 1.179 53.211 52.037 -0.007 0.000 0.610 115 A CB -0.523 18.471 19.000 -0.011 0.000 0.842 115 A HN 0.710 nan 8.150 nan 0.000 0.444 116 I N 0.383 120.957 120.570 0.006 0.000 2.361 116 I HA -0.164 4.006 4.170 0.001 0.000 0.251 116 I C 2.078 178.207 176.117 0.019 0.000 1.133 116 I CA 1.198 62.508 61.300 0.015 0.000 1.413 116 I CB -0.445 37.564 38.000 0.014 0.000 1.073 116 I HN 0.275 nan 8.210 nan 0.000 0.424 117 E N 0.019 120.227 120.200 0.013 0.000 2.347 117 E HA 0.016 4.367 4.350 0.001 0.000 0.196 117 E C 2.179 178.790 176.600 0.018 0.000 1.008 117 E CA 0.943 57.351 56.400 0.014 0.000 0.852 117 E CB -0.043 29.663 29.700 0.009 0.000 0.783 117 E HN 0.495 nan 8.360 nan 0.000 0.505 118 A N 0.426 123.257 122.820 0.018 0.000 1.997 118 A HA 0.001 4.322 4.320 0.001 0.000 0.212 118 A C 2.042 179.653 177.584 0.046 0.000 1.178 118 A CA 0.139 52.190 52.037 0.023 0.000 0.698 118 A CB -0.196 18.809 19.000 0.008 0.000 0.842 118 A HN 0.222 nan 8.150 nan 0.000 0.458 119 L N 0.206 121.457 121.223 0.047 0.000 2.191 119 L HA -0.050 4.290 4.340 0.001 0.000 0.212 119 L C 1.788 178.725 176.870 0.111 0.000 1.103 119 L CA 1.890 56.780 54.840 0.083 0.000 0.769 119 L CB -0.453 41.644 42.059 0.062 0.000 0.908 119 L HN 0.296 nan 8.230 nan 0.000 0.438 120 K N -0.410 120.031 120.400 0.068 0.000 2.439 120 K HA -0.074 4.246 4.320 0.001 0.000 0.197 120 K C 1.460 178.090 176.600 0.049 0.000 1.041 120 K CA 0.911 57.229 56.287 0.051 0.000 0.970 120 K CB 0.010 32.528 32.500 0.030 0.000 0.773 120 K HN 0.508 nan 8.250 nan 0.000 0.479 121 E N -0.747 119.495 120.200 0.070 0.000 2.478 121 E HA -0.112 4.239 4.350 0.001 0.000 0.194 121 E C 0.812 177.480 176.600 0.112 0.000 1.045 121 E CA 0.437 56.876 56.400 0.066 0.000 0.868 121 E CB 0.217 29.953 29.700 0.059 0.000 0.885 121 E HN 0.298 nan 8.360 nan 0.000 0.505 122 Y N 0.993 121.293 120.300 -0.000 0.000 2.607 122 Y HA 0.176 4.726 4.550 0.001 0.000 0.276 122 Y C 0.446 176.350 175.900 0.006 0.000 1.117 122 Y CA -0.093 58.008 58.100 0.002 0.000 1.273 122 Y CB 0.643 39.104 38.460 0.002 0.000 1.282 122 Y HN -0.206 nan 8.280 nan 0.000 0.514 123 E N 4.412 124.600 120.200 -0.019 0.000 2.415 123 E HA 0.112 4.462 4.350 0.001 0.000 0.260 123 E C -2.430 174.103 176.600 -0.112 0.000 1.016 123 E CA -2.352 54.005 56.400 -0.073 0.000 0.924 123 E CB 0.217 29.928 29.700 0.019 0.000 0.961 123 E HN 0.158 nan 8.360 nan 0.000 0.459 124 P HA -0.083 nan 4.420 nan 0.000 0.266 124 P C -0.189 177.074 177.300 -0.062 0.000 1.193 124 P CA 0.139 63.170 63.100 -0.114 0.000 0.770 124 P CB 1.120 32.753 31.700 -0.111 0.000 0.836 125 E N 2.119 122.287 120.200 -0.053 0.000 2.030 125 E HA 0.002 4.352 4.350 0.001 0.000 0.189 125 E C 0.634 177.216 176.600 -0.029 0.000 0.974 125 E CA 1.382 57.763 56.400 -0.032 0.000 0.807 125 E CB -0.023 29.659 29.700 -0.029 0.000 0.771 125 E HN 0.356 nan 8.360 nan 0.000 0.451 126 M N -0.716 118.861 119.600 -0.037 0.000 2.777 126 M HA 0.624 5.104 4.480 0.001 0.000 0.307 126 M C 0.289 176.560 176.300 -0.048 0.000 1.228 126 M CA -0.724 54.554 55.300 -0.038 0.000 0.871 126 M CB 1.342 33.919 32.600 -0.038 0.000 1.721 126 M HN 0.138 nan 8.290 nan 0.000 0.487 127 G N 0.602 109.371 108.800 -0.052 0.000 2.690 127 G HA2 0.666 4.626 3.960 0.001 0.000 0.291 127 G HA3 0.666 4.626 3.960 0.001 0.000 0.291 127 G C -1.614 173.239 174.900 -0.079 0.000 1.403 127 G CA -0.702 44.360 45.100 -0.062 0.000 0.864 127 G HN 0.535 nan 8.290 nan 0.000 0.480 128 K N 0.311 120.653 120.400 -0.095 0.000 2.394 128 K HA 0.601 4.922 4.320 0.001 0.000 0.260 128 K C -0.423 176.073 176.600 -0.173 0.000 0.967 128 K CA -0.665 55.535 56.287 -0.144 0.000 0.855 128 K CB 2.135 34.546 32.500 -0.149 0.000 1.101 128 K HN 0.555 nan 8.250 nan 0.000 0.433 129 V N -0.109 119.677 119.914 -0.214 0.000 3.040 129 V HA 0.560 4.681 4.120 0.001 0.000 0.312 129 V C -1.380 174.542 176.094 -0.288 0.000 1.115 129 V CA -1.034 61.157 62.300 -0.183 0.000 0.998 129 V CB 1.311 33.081 31.823 -0.089 0.000 1.042 129 V HN 0.604 nan 8.190 nan 0.000 0.433 130 Y N 1.415 121.699 120.300 -0.028 0.000 2.328 130 Y HA 0.781 5.332 4.550 0.001 0.000 0.337 130 Y C 0.523 176.409 175.900 -0.024 0.000 0.966 130 Y CA -0.406 57.681 58.100 -0.022 0.000 1.136 130 Y CB 1.956 40.405 38.460 -0.019 0.000 1.170 130 Y HN 0.588 nan 8.280 nan 0.000 0.470 131 R N 1.012 121.581 120.500 0.115 0.000 2.807 131 R HA 0.571 4.911 4.340 0.001 0.000 0.276 131 R C 0.591 176.925 176.300 0.057 0.000 0.979 131 R CA -0.509 55.625 56.100 0.057 0.000 0.928 131 R CB 1.751 32.059 30.300 0.012 0.000 1.191 131 R HN 0.825 nan 8.270 nan 0.000 0.471 132 A N 1.316 124.156 122.820 0.032 0.000 2.032 132 A HA -0.262 4.058 4.320 0.001 0.000 0.221 132 A C 1.476 179.073 177.584 0.021 0.000 1.165 132 A CA 2.117 54.168 52.037 0.024 0.000 0.645 132 A CB -0.519 18.486 19.000 0.009 0.000 0.807 132 A HN 0.883 nan 8.150 nan 0.000 0.453 133 D N -0.293 120.117 120.400 0.016 0.000 2.177 133 D HA -0.167 4.473 4.640 0.001 0.000 0.189 133 D C 1.169 177.480 176.300 0.018 0.000 1.002 133 D CA 1.821 55.827 54.000 0.011 0.000 0.845 133 D CB 0.036 40.839 40.800 0.005 0.000 0.960 133 D HN 0.665 nan 8.370 nan 0.000 0.447 134 R N -0.699 119.819 120.500 0.030 0.000 2.771 134 R HA 0.333 4.674 4.340 0.001 0.000 0.274 134 R C 0.528 176.871 176.300 0.072 0.000 0.987 134 R CA -0.764 55.359 56.100 0.038 0.000 0.908 134 R CB 1.161 31.476 30.300 0.026 0.000 1.213 134 R HN -0.106 nan 8.270 nan 0.000 0.468 135 K N 0.988 121.429 120.400 0.069 0.000 2.097 135 K HA 0.013 4.333 4.320 0.001 0.000 0.205 135 K C -0.031 176.676 176.600 0.178 0.000 1.050 135 K CA 1.085 57.428 56.287 0.092 0.000 0.938 135 K CB 0.066 32.597 32.500 0.052 0.000 0.718 135 K HN 0.629 nan 8.250 nan 0.000 0.442 136 S N 0.671 116.451 115.700 0.133 0.000 2.603 136 S HA 0.080 4.550 4.470 0.001 0.000 0.268 136 S C -0.192 174.447 174.600 0.066 0.000 1.317 136 S CA -0.761 57.520 58.200 0.135 0.000 1.012 136 S CB 1.893 65.125 63.200 0.053 0.000 0.926 136 S HN 0.129 nan 8.310 nan 0.000 0.539 137 V N 1.849 121.702 119.914 -0.101 0.000 2.843 137 V HA 0.128 4.249 4.120 0.001 0.000 0.305 137 V C -0.362 175.578 176.094 -0.256 0.000 1.065 137 V CA 0.302 62.284 62.300 -0.530 0.000 1.116 137 V CB 0.839 32.274 31.823 -0.647 0.000 0.968 137 V HN 0.877 nan 8.190 nan 0.000 0.487 138 Q N 5.798 125.446 119.800 -0.254 0.000 2.330 138 Q HA 0.529 4.869 4.340 0.001 0.000 0.269 138 Q C -1.037 174.884 176.000 -0.131 0.000 1.022 138 Q CA -0.584 55.135 55.803 -0.139 0.000 0.796 138 Q CB 2.156 30.839 28.738 -0.093 0.000 1.271 138 Q HN 0.677 nan 8.270 nan 0.000 0.450 139 R N 2.742 123.185 120.500 -0.095 0.000 2.234 139 R HA 0.520 4.861 4.340 0.001 0.000 0.324 139 R C 0.090 176.356 176.300 -0.057 0.000 1.054 139 R CA -0.025 56.028 56.100 -0.078 0.000 0.912 139 R CB 0.327 30.590 30.300 -0.062 0.000 1.030 139 R HN 0.608 nan 8.270 nan 0.000 0.455 140 I N -2.321 118.217 120.570 -0.053 0.000 3.322 140 I HA 0.518 4.688 4.170 0.001 0.000 0.313 140 I C -0.657 175.444 176.117 -0.025 0.000 1.129 140 I CA -1.656 59.623 61.300 -0.035 0.000 0.963 140 I CB 1.550 39.529 38.000 -0.035 0.000 1.273 140 I HN 0.128 nan 8.210 nan 0.000 0.473 141 K N 1.850 122.245 120.400 -0.009 0.000 2.416 141 K HA 0.241 4.561 4.320 0.001 0.000 0.283 141 K C 0.819 177.419 176.600 0.000 0.000 1.037 141 K CA 0.301 56.589 56.287 0.002 0.000 0.995 141 K CB 1.288 33.803 32.500 0.025 0.000 0.938 141 K HN 0.818 nan 8.250 nan 0.000 0.475 142 A N 4.216 127.032 122.820 -0.007 0.000 2.024 142 A HA -0.234 4.086 4.320 0.001 0.000 0.220 142 A C 1.969 179.559 177.584 0.010 0.000 1.164 142 A CA 1.627 53.656 52.037 -0.012 0.000 0.643 142 A CB -0.362 18.624 19.000 -0.023 0.000 0.806 142 A HN 0.819 nan 8.150 nan 0.000 0.451 143 R N -0.866 119.658 120.500 0.040 0.000 2.189 143 R HA -0.044 4.296 4.340 0.001 0.000 0.218 143 R C 0.164 176.526 176.300 0.103 0.000 1.074 143 R CA 1.428 57.583 56.100 0.092 0.000 0.991 143 R CB -0.412 29.962 30.300 0.124 0.000 0.883 143 R HN 0.222 nan 8.270 nan 0.000 0.457 144 D N 0.946 121.375 120.400 0.048 0.000 2.340 144 D HA 0.165 4.806 4.640 0.001 0.000 0.220 144 D C 0.519 176.783 176.300 -0.059 0.000 1.039 144 D CA 0.196 54.180 54.000 -0.027 0.000 0.866 144 D CB 0.148 40.945 40.800 -0.004 0.000 0.913 144 D HN 0.261 nan 8.370 nan 0.000 0.523 145 I N 1.069 121.617 120.570 -0.036 0.000 2.638 145 I HA 0.079 4.249 4.170 0.001 0.000 0.286 145 I C 0.460 176.551 176.117 -0.044 0.000 1.088 145 I CA -0.453 60.821 61.300 -0.044 0.000 1.397 145 I CB 1.141 39.114 38.000 -0.045 0.000 1.414 145 I HN -0.234 nan 8.210 nan 0.000 0.566 146 V N 2.915 122.803 119.914 -0.044 0.000 3.007 146 V HA 0.590 4.710 4.120 0.001 0.000 0.311 146 V C -2.824 173.195 176.094 -0.125 0.000 1.120 146 V CA -2.687 59.598 62.300 -0.025 0.000 0.980 146 V CB 1.543 33.429 31.823 0.106 0.000 1.033 146 V HN 0.443 nan 8.190 nan 0.000 0.429 147 P HA 0.339 nan 4.420 nan 0.000 0.266 147 P C 1.031 177.907 177.300 -0.707 0.000 1.193 147 P CA 2.168 64.945 63.100 -0.538 0.000 0.770 147 P CB 0.778 32.086 31.700 -0.654 0.000 0.836 148 G N 1.193 109.239 108.800 -1.258 0.000 2.241 148 G HA2 -0.201 3.759 3.960 0.001 0.000 0.244 148 G HA3 -0.201 3.759 3.960 0.001 0.000 0.244 148 G C 0.214 174.931 174.900 -0.306 0.000 0.998 148 G CA -0.208 44.302 45.100 -0.983 0.000 0.621 148 G HN 0.525 nan 8.290 nan 0.000 0.519 149 D N 0.787 121.057 120.400 -0.216 0.000 2.400 149 D HA 0.330 4.971 4.640 0.001 0.000 0.238 149 D C 0.611 176.860 176.300 -0.086 0.000 1.157 149 D CA 0.207 54.148 54.000 -0.099 0.000 0.889 149 D CB 0.550 41.300 40.800 -0.083 0.000 1.199 149 D HN 0.082 nan 8.370 nan 0.000 0.436 150 I N 2.788 123.349 120.570 -0.015 0.000 2.312 150 I HA 0.163 4.333 4.170 0.001 0.000 0.290 150 I C 0.258 176.405 176.117 0.050 0.000 1.008 150 I CA -0.476 60.843 61.300 0.031 0.000 1.226 150 I CB 0.904 38.961 38.000 0.094 0.000 1.371 150 I HN -0.041 nan 8.210 nan 0.000 0.468 151 V N 6.402 126.326 119.914 0.016 0.000 2.667 151 V HA 0.437 4.557 4.120 0.001 0.000 0.308 151 V C 0.084 176.196 176.094 0.030 0.000 1.048 151 V CA -0.790 61.506 62.300 -0.006 0.000 0.928 151 V CB 2.554 34.349 31.823 -0.046 0.000 1.004 151 V HN 0.704 nan 8.190 nan 0.000 0.444 152 E N 2.310 122.509 120.200 -0.001 0.000 2.199 152 E HA 0.718 5.069 4.350 0.001 0.000 0.269 152 E C -1.510 175.082 176.600 -0.013 0.000 0.899 152 E CA -0.563 55.855 56.400 0.030 0.000 0.772 152 E CB 2.160 31.886 29.700 0.044 0.000 1.155 152 E HN 0.619 nan 8.360 nan 0.000 0.408 153 V N 0.210 120.124 119.914 -0.000 0.000 2.841 153 V HA 0.996 5.117 4.120 0.001 0.000 0.310 153 V C -0.905 175.189 176.094 -0.000 0.000 1.090 153 V CA -0.586 61.706 62.300 -0.013 0.000 0.930 153 V CB 1.207 33.017 31.823 -0.021 0.000 1.014 153 V HN 0.785 nan 8.190 nan 0.000 0.425 154 A N 2.670 125.488 122.820 -0.004 0.000 2.532 154 A HA 0.880 5.200 4.320 0.001 0.000 0.290 154 A C -0.187 177.397 177.584 0.000 0.000 1.143 154 A CA -0.371 51.669 52.037 0.005 0.000 0.728 154 A CB 1.798 20.803 19.000 0.008 0.000 1.317 154 A HN 2.301 nan 8.150 nan 0.000 0.414 155 V N 1.229 121.147 119.914 0.006 0.000 2.726 155 V HA 0.325 4.445 4.120 0.001 0.000 0.304 155 V C 1.412 177.503 176.094 -0.004 0.000 1.115 155 V CA 2.662 64.964 62.300 0.003 0.000 1.264 155 V CB 0.202 32.030 31.823 0.007 0.000 0.867 155 V HN 2.768 nan 8.190 nan 0.000 0.498 156 G N 4.134 112.929 108.800 -0.008 0.000 2.268 156 G HA2 -0.213 3.747 3.960 0.001 0.000 0.240 156 G HA3 -0.213 3.747 3.960 0.001 0.000 0.240 156 G C 0.056 174.945 174.900 -0.019 0.000 1.010 156 G CA 0.264 45.355 45.100 -0.014 0.000 0.618 156 G HN 0.854 nan 8.290 nan 0.000 0.516 157 D N 0.812 121.200 120.400 -0.020 0.000 2.362 157 D HA 0.403 5.043 4.640 0.001 0.000 0.242 157 D C 0.489 176.768 176.300 -0.035 0.000 1.132 157 D CA 0.228 54.210 54.000 -0.030 0.000 0.907 157 D CB 1.124 41.906 40.800 -0.030 0.000 1.195 157 D HN 0.443 nan 8.370 nan 0.000 0.429 158 K N 1.609 121.978 120.400 -0.052 0.000 2.263 158 K HA 0.253 4.573 4.320 0.001 0.000 0.272 158 K C -0.757 175.803 176.600 -0.067 0.000 1.033 158 K CA -0.684 55.561 56.287 -0.070 0.000 0.884 158 K CB 0.754 33.186 32.500 -0.114 0.000 1.107 158 K HN 0.106 nan 8.250 nan 0.000 0.460 159 V N 7.618 127.504 119.914 -0.048 0.000 2.625 159 V HA -0.040 4.080 4.120 0.001 0.000 0.305 159 V C -1.195 174.867 176.094 -0.054 0.000 1.055 159 V CA -0.583 61.692 62.300 -0.042 0.000 1.209 159 V CB 0.835 32.646 31.823 -0.019 0.000 0.877 159 V HN 0.876 nan 8.190 nan 0.000 0.489 160 P HA 0.199 nan 4.420 nan 0.000 0.235 160 P C 0.114 177.392 177.300 -0.037 0.000 1.177 160 P CA 0.958 64.026 63.100 -0.053 0.000 0.785 160 P CB 0.717 32.384 31.700 -0.054 0.000 0.885 161 A N -0.660 122.140 122.820 -0.033 0.000 2.564 161 A HA 0.467 4.787 4.320 0.001 0.000 0.291 161 A C -1.669 175.901 177.584 -0.022 0.000 1.102 161 A CA -0.591 51.434 52.037 -0.021 0.000 0.660 161 A CB 0.029 19.003 19.000 -0.043 0.000 1.283 161 A HN -0.228 nan 8.150 nan 0.000 0.430 162 D N 0.832 121.229 120.400 -0.005 0.000 2.358 162 D HA 0.513 5.153 4.640 0.001 0.000 0.258 162 D C -0.606 175.634 176.300 -0.100 0.000 1.223 162 D CA 1.032 55.019 54.000 -0.021 0.000 0.886 162 D CB 0.237 41.074 40.800 0.061 0.000 1.120 162 D HN 0.389 nan 8.370 nan 0.000 0.482 163 I N 2.333 122.801 120.570 -0.171 0.000 2.465 163 I HA 0.257 4.428 4.170 0.001 0.000 0.291 163 I C 0.231 176.237 176.117 -0.184 0.000 1.014 163 I CA -1.058 60.146 61.300 -0.161 0.000 1.093 163 I CB 1.737 39.657 38.000 -0.133 0.000 1.267 163 I HN -0.039 nan 8.210 nan 0.000 0.431 164 R N 6.509 126.932 120.500 -0.128 0.000 2.234 164 R HA 0.456 4.796 4.340 0.001 0.000 0.324 164 R C -0.721 175.524 176.300 -0.090 0.000 1.054 164 R CA -0.576 55.461 56.100 -0.104 0.000 0.912 164 R CB 0.331 30.599 30.300 -0.054 0.000 1.030 164 R HN 0.555 nan 8.270 nan 0.000 0.455 165 I N 6.087 126.596 120.570 -0.102 0.000 2.588 165 I HA -0.078 4.093 4.170 0.001 0.000 0.283 165 I C 1.458 177.553 176.117 -0.036 0.000 1.119 165 I CA 0.091 61.347 61.300 -0.073 0.000 1.419 165 I CB 0.746 38.694 38.000 -0.087 0.000 1.394 165 I HN 0.487 nan 8.210 nan 0.000 0.562 166 L N 4.244 125.455 121.223 -0.019 0.000 2.349 166 L HA 0.167 4.508 4.340 0.001 0.000 0.200 166 L C 0.503 177.376 176.870 0.006 0.000 1.064 166 L CA 0.441 55.280 54.840 -0.002 0.000 0.821 166 L CB 0.104 42.163 42.059 -0.000 0.000 1.027 166 L HN 0.771 nan 8.230 nan 0.000 0.476 167 S N -0.483 115.220 115.700 0.005 0.000 2.592 167 S HA 0.493 4.963 4.470 0.001 0.000 0.275 167 S C -0.930 173.680 174.600 0.016 0.000 1.169 167 S CA -0.715 57.492 58.200 0.012 0.000 0.958 167 S CB 1.270 64.474 63.200 0.006 0.000 1.095 167 S HN 0.076 nan 8.310 nan 0.000 0.471 168 I N 4.054 124.638 120.570 0.024 0.000 2.371 168 I HA 0.307 4.478 4.170 0.001 0.000 0.290 168 I C 1.057 177.194 176.117 0.033 0.000 1.028 168 I CA -0.768 60.550 61.300 0.030 0.000 1.345 168 I CB 1.093 39.118 38.000 0.042 0.000 1.407 168 I HN 0.651 nan 8.210 nan 0.000 0.501 169 K N 3.461 123.882 120.400 0.035 0.000 2.076 169 K HA 0.036 4.357 4.320 0.001 0.000 0.204 169 K C 0.992 177.620 176.600 0.048 0.000 1.051 169 K CA 0.615 56.925 56.287 0.037 0.000 0.949 169 K CB -0.333 32.191 32.500 0.039 0.000 0.726 169 K HN 0.712 nan 8.250 nan 0.000 0.443 170 S N 0.368 116.102 115.700 0.056 0.000 2.634 170 S HA 0.091 4.561 4.470 0.001 0.000 0.261 170 S C 1.266 175.915 174.600 0.082 0.000 1.271 170 S CA -0.277 57.967 58.200 0.073 0.000 0.985 170 S CB 0.625 63.871 63.200 0.075 0.000 0.968 170 S HN 0.168 nan 8.310 nan 0.000 0.568 171 T N 0.970 115.589 114.554 0.108 0.000 2.881 171 T HA 0.071 4.421 4.350 0.001 0.000 0.270 171 T C 0.968 175.743 174.700 0.125 0.000 1.068 171 T CA 1.491 63.659 62.100 0.114 0.000 1.131 171 T CB -0.695 68.271 68.868 0.162 0.000 0.871 171 T HN 1.031 nan 8.240 nan 0.000 0.479 172 T N -1.219 113.416 114.554 0.134 0.000 2.769 172 T HA 0.606 4.957 4.350 0.001 0.000 0.306 172 T C -2.037 172.717 174.700 0.090 0.000 1.400 172 T CA -1.086 61.093 62.100 0.131 0.000 1.007 172 T CB 1.786 70.772 68.868 0.196 0.000 1.392 172 T HN -0.044 nan 8.240 nan 0.000 0.500 173 L N 1.062 122.328 121.223 0.071 0.000 2.406 173 L HA 0.656 4.996 4.340 0.001 0.000 0.270 173 L C -0.535 176.353 176.870 0.031 0.000 0.982 173 L CA -0.508 54.358 54.840 0.043 0.000 0.843 173 L CB 1.407 43.485 42.059 0.031 0.000 1.225 173 L HN 0.726 nan 8.230 nan 0.000 0.412 174 R N 3.903 124.413 120.500 0.016 0.000 2.460 174 R HA 0.821 5.161 4.340 0.001 0.000 0.303 174 R C -1.403 174.904 176.300 0.012 0.000 0.968 174 R CA -0.872 55.231 56.100 0.004 0.000 0.889 174 R CB 2.254 32.540 30.300 -0.024 0.000 1.123 174 R HN 0.413 nan 8.270 nan 0.000 0.455 175 V N 1.837 121.765 119.914 0.022 0.000 2.577 175 V HA 0.097 4.218 4.120 0.001 0.000 0.303 175 V C -0.717 175.406 176.094 0.049 0.000 1.042 175 V CA -0.929 61.392 62.300 0.035 0.000 0.872 175 V CB 2.053 33.900 31.823 0.040 0.000 0.998 175 V HN 0.672 nan 8.190 nan 0.000 0.423 176 D N 3.560 123.990 120.400 0.051 0.000 2.365 176 D HA 0.293 4.933 4.640 0.001 0.000 0.237 176 D C 0.485 176.833 176.300 0.079 0.000 1.190 176 D CA 0.062 54.098 54.000 0.060 0.000 0.867 176 D CB 0.890 41.725 40.800 0.057 0.000 1.050 176 D HN 0.596 nan 8.370 nan 0.000 0.491 177 Q N 2.034 121.882 119.800 0.081 0.000 2.165 177 Q HA 0.094 4.434 4.340 0.001 0.000 0.245 177 Q C 1.264 177.298 176.000 0.056 0.000 0.841 177 Q CA -0.206 55.651 55.803 0.090 0.000 1.078 177 Q CB 0.617 29.420 28.738 0.108 0.000 1.169 177 Q HN 0.520 nan 8.270 nan 0.000 0.475 178 S N 0.081 115.814 115.700 0.054 0.000 2.399 178 S HA -0.101 4.369 4.470 0.001 0.000 0.231 178 S C 1.789 176.402 174.600 0.023 0.000 1.022 178 S CA 0.715 58.936 58.200 0.035 0.000 0.983 178 S CB -0.235 62.988 63.200 0.039 0.000 0.803 178 S HN 0.403 nan 8.310 nan 0.000 0.480 179 I N 0.249 120.846 120.570 0.045 0.000 2.614 179 I HA -0.041 4.129 4.170 0.001 0.000 0.258 179 I C 2.195 178.297 176.117 -0.026 0.000 1.189 179 I CA 0.822 62.131 61.300 0.014 0.000 1.462 179 I CB -0.076 37.974 38.000 0.084 0.000 1.092 179 I HN 0.310 nan 8.210 nan 0.000 0.442 180 L N -0.336 120.885 121.223 -0.004 0.000 2.433 180 L HA 0.017 4.358 4.340 0.001 0.000 0.200 180 L C 2.337 179.156 176.870 -0.086 0.000 1.059 180 L CA 1.508 56.316 54.840 -0.053 0.000 0.835 180 L CB -0.210 41.815 42.059 -0.056 0.000 1.076 180 L HN 0.192 nan 8.230 nan 0.000 0.481 181 T N -4.125 110.386 114.554 -0.070 0.000 3.037 181 T HA 0.304 4.655 4.350 0.001 0.000 0.251 181 T C 1.482 176.165 174.700 -0.028 0.000 1.079 181 T CA 0.447 62.506 62.100 -0.068 0.000 1.067 181 T CB 0.168 68.996 68.868 -0.066 0.000 0.948 181 T HN 0.622 nan 8.240 nan 0.000 0.496 182 G N 1.505 110.296 108.800 -0.015 0.000 2.159 182 G HA2 -0.244 3.716 3.960 0.001 0.000 0.256 182 G HA3 -0.244 3.716 3.960 0.001 0.000 0.256 182 G C -0.231 174.672 174.900 0.006 0.000 0.977 182 G CA 0.118 45.215 45.100 -0.004 0.000 0.652 182 G HN 0.681 nan 8.290 nan 0.000 0.531 183 E N 0.860 121.067 120.200 0.012 0.000 2.376 183 E HA 0.352 4.702 4.350 0.001 0.000 0.266 183 E C 1.522 178.135 176.600 0.022 0.000 1.009 183 E CA 0.371 56.784 56.400 0.020 0.000 0.902 183 E CB 0.657 30.374 29.700 0.029 0.000 0.972 183 E HN 0.475 nan 8.360 nan 0.000 0.439 184 S N 1.505 117.216 115.700 0.018 0.000 2.562 184 S HA 0.061 4.531 4.470 0.001 0.000 0.221 184 S C 0.542 175.156 174.600 0.024 0.000 0.975 184 S CA -0.359 57.851 58.200 0.017 0.000 0.918 184 S CB 0.315 63.518 63.200 0.005 0.000 0.772 184 S HN 0.192 nan 8.310 nan 0.000 0.531 185 V N 2.674 122.604 119.914 0.026 0.000 2.588 185 V HA 0.522 4.642 4.120 0.001 0.000 0.304 185 V C 0.373 176.484 176.094 0.027 0.000 1.042 185 V CA -0.861 61.454 62.300 0.025 0.000 0.877 185 V CB 1.793 33.627 31.823 0.019 0.000 0.996 185 V HN 0.527 nan 8.190 nan 0.000 0.425 186 S N 4.162 119.876 115.700 0.023 0.000 2.559 186 S HA 0.278 4.748 4.470 0.001 0.000 0.282 186 S C -0.260 174.352 174.600 0.021 0.000 1.336 186 S CA -0.320 57.894 58.200 0.023 0.000 1.037 186 S CB 0.810 64.016 63.200 0.009 0.000 0.853 186 S HN 0.552 nan 8.310 nan 0.000 0.523 187 V N 3.579 123.513 119.914 0.034 0.000 2.427 187 V HA 0.353 4.473 4.120 0.001 0.000 0.286 187 V C 0.329 176.446 176.094 0.038 0.000 1.034 187 V CA -0.818 61.508 62.300 0.043 0.000 0.893 187 V CB 1.238 33.100 31.823 0.066 0.000 0.982 187 V HN 0.844 nan 8.190 nan 0.000 0.452 188 I N 5.920 126.519 120.570 0.048 0.000 2.379 188 I HA 0.244 4.414 4.170 0.001 0.000 0.290 188 I C 0.445 176.614 176.117 0.088 0.000 1.063 188 I CA -0.254 61.083 61.300 0.063 0.000 1.351 188 I CB 0.468 38.519 38.000 0.085 0.000 1.410 188 I HN 0.512 nan 8.210 nan 0.000 0.505 189 K N 5.521 125.958 120.400 0.062 0.000 2.132 189 K HA 0.548 4.868 4.320 0.001 0.000 0.241 189 K C -0.418 176.234 176.600 0.087 0.000 1.000 189 K CA -0.563 55.735 56.287 0.018 0.000 0.911 189 K CB 1.675 34.151 32.500 -0.040 0.000 1.093 189 K HN 0.725 nan 8.250 nan 0.000 0.460 190 H N -3.757 115.328 119.070 0.025 0.000 3.015 190 H HA 0.373 4.929 4.556 0.001 0.000 0.282 190 H C 0.230 175.567 175.328 0.015 0.000 1.508 190 H CA -0.595 55.468 56.048 0.025 0.000 1.209 190 H CB 0.756 30.537 29.762 0.032 0.000 1.869 190 H HN 0.500 nan 8.280 nan 0.000 0.591 191 T N -3.470 111.222 114.554 0.230 0.000 3.003 191 T HA 0.208 4.559 4.350 0.001 0.000 0.261 191 T C 0.172 174.989 174.700 0.194 0.000 1.003 191 T CA -0.369 61.803 62.100 0.120 0.000 0.917 191 T CB 0.058 68.970 68.868 0.073 0.000 1.084 191 T HN 0.427 nan 8.240 nan 0.000 0.522 192 E N 3.523 123.963 120.200 0.400 0.000 2.408 192 E HA 0.269 4.620 4.350 0.001 0.000 0.259 192 E C -2.362 174.389 176.600 0.251 0.000 1.110 192 E CA -2.093 54.447 56.400 0.234 0.000 0.929 192 E CB 0.493 30.244 29.700 0.086 0.000 0.971 192 E HN 0.310 nan 8.360 nan 0.000 0.438 193 P HA 0.094 nan 4.420 nan 0.000 0.277 193 P C -0.431 176.965 177.300 0.160 0.000 1.240 193 P CA -0.289 62.880 63.100 0.116 0.000 0.798 193 P CB 0.734 32.464 31.700 0.051 0.000 0.979 194 V N 5.207 125.226 119.914 0.174 0.000 2.277 194 V HA 0.114 4.234 4.120 0.001 0.000 0.269 194 V C -1.300 174.900 176.094 0.177 0.000 1.036 194 V CA -1.563 60.868 62.300 0.219 0.000 0.821 194 V CB 0.558 32.561 31.823 0.301 0.000 1.052 194 V HN 0.487 nan 8.190 nan 0.000 0.462 195 P HA -0.222 nan 4.420 nan 0.000 0.214 195 P C 0.567 177.920 177.300 0.087 0.000 1.164 195 P CA 1.249 64.391 63.100 0.070 0.000 0.942 195 P CB 0.053 31.790 31.700 0.061 0.000 0.791 196 D N -0.144 120.329 120.400 0.121 0.000 2.402 196 D HA -0.050 4.591 4.640 0.001 0.000 0.268 196 D C -1.170 175.272 176.300 0.236 0.000 1.294 196 D CA -1.262 52.818 54.000 0.134 0.000 0.945 196 D CB 0.136 41.003 40.800 0.111 0.000 1.112 196 D HN 0.190 nan 8.370 nan 0.000 0.517 197 P HA -0.130 nan 4.420 nan 0.000 0.223 197 P C 0.418 177.862 177.300 0.240 0.000 1.151 197 P CA 0.737 63.974 63.100 0.228 0.000 0.787 197 P CB 0.239 31.986 31.700 0.080 0.000 0.788 198 R N -0.008 120.579 120.500 0.144 0.000 2.335 198 R HA 0.356 4.697 4.340 0.001 0.000 0.223 198 R C 0.958 177.292 176.300 0.056 0.000 0.940 198 R CA -0.198 55.954 56.100 0.087 0.000 1.086 198 R CB -0.320 30.020 30.300 0.066 0.000 1.073 198 R HN 0.093 nan 8.270 nan 0.000 0.504 199 A N 1.227 124.077 122.820 0.049 0.000 2.477 199 A HA 0.308 4.628 4.320 0.001 0.000 0.246 199 A C 0.656 178.188 177.584 -0.087 0.000 1.078 199 A CA -0.512 51.509 52.037 -0.026 0.000 0.770 199 A CB 0.243 19.203 19.000 -0.066 0.000 1.011 199 A HN 0.176 nan 8.150 nan 0.000 0.494 200 V N 1.260 121.151 119.914 -0.038 0.000 3.036 200 V HA 0.273 4.393 4.120 0.001 0.000 0.308 200 V C 1.151 177.210 176.094 -0.059 0.000 1.070 200 V CA -0.663 61.609 62.300 -0.047 0.000 1.056 200 V CB 0.638 32.457 31.823 -0.006 0.000 1.084 200 V HN 0.862 nan 8.190 nan 0.000 0.471 201 N N 1.311 119.944 118.700 -0.111 0.000 2.096 201 N HA -0.259 4.482 4.740 0.001 0.000 0.195 201 N C 1.592 177.101 175.510 -0.002 0.000 1.017 201 N CA 2.289 55.244 53.050 -0.158 0.000 0.870 201 N CB -0.444 37.729 38.487 -0.523 0.000 1.024 201 N HN 0.863 nan 8.380 nan 0.000 0.434 202 Q N 0.325 120.118 119.800 -0.013 0.000 2.439 202 Q HA -0.028 4.313 4.340 0.001 0.000 0.211 202 Q C 0.790 176.830 176.000 0.066 0.000 0.978 202 Q CA 0.817 56.643 55.803 0.038 0.000 0.897 202 Q CB 0.145 28.900 28.738 0.029 0.000 0.956 202 Q HN 0.397 nan 8.270 nan 0.000 0.483 203 D N -0.322 120.112 120.400 0.055 0.000 2.392 203 D HA 0.015 4.656 4.640 0.001 0.000 0.206 203 D C -0.131 176.213 176.300 0.073 0.000 1.046 203 D CA 0.217 54.256 54.000 0.065 0.000 0.865 203 D CB 0.306 41.133 40.800 0.045 0.000 0.969 203 D HN 0.157 nan 8.370 nan 0.000 0.509 204 K N 1.801 122.244 120.400 0.071 0.000 2.243 204 K HA 0.115 4.435 4.320 0.001 0.000 0.232 204 K C 0.873 177.491 176.600 0.031 0.000 1.237 204 K CA 0.068 56.391 56.287 0.060 0.000 1.161 204 K CB 0.325 32.913 32.500 0.146 0.000 1.505 204 K HN -0.073 nan 8.250 nan 0.000 0.271 205 K N 1.069 121.461 120.400 -0.013 0.000 2.525 205 K HA -0.062 4.259 4.320 0.001 0.000 0.192 205 K C 0.645 176.937 176.600 -0.514 0.000 1.029 205 K CA 0.554 56.757 56.287 -0.140 0.000 1.029 205 K CB 0.072 32.615 32.500 0.072 0.000 0.814 205 K HN 0.418 nan 8.250 nan 0.000 0.503 206 N N -0.443 117.981 118.700 -0.460 0.000 2.200 206 N HA 0.058 4.798 4.740 0.001 0.000 0.224 206 N C -0.219 175.141 175.510 -0.251 0.000 1.179 206 N CA -0.068 52.727 53.050 -0.424 0.000 0.877 206 N CB 0.411 38.713 38.487 -0.309 0.000 1.072 206 N HN -0.128 nan 8.380 nan 0.000 0.519 207 M N 0.571 119.997 119.600 -0.290 0.000 2.664 207 M HA 0.502 4.982 4.480 0.001 0.000 0.314 207 M C -0.868 175.078 176.300 -0.590 0.000 1.200 207 M CA -0.642 54.391 55.300 -0.445 0.000 0.916 207 M CB 2.061 34.303 32.600 -0.597 0.000 1.717 207 M HN -0.057 nan 8.290 nan 0.000 0.470 208 L N 1.741 122.587 121.223 -0.629 0.000 2.385 208 L HA 0.569 4.909 4.340 0.001 0.000 0.273 208 L C -1.432 175.104 176.870 -0.557 0.000 0.990 208 L CA -0.404 54.158 54.840 -0.463 0.000 0.821 208 L CB 1.766 43.694 42.059 -0.217 0.000 1.279 208 L HN 0.508 nan 8.230 nan 0.000 0.412 209 F N 0.663 120.606 119.950 -0.010 0.000 2.436 209 F HA 0.334 4.861 4.527 0.001 0.000 0.340 209 F C 0.962 176.763 175.800 0.001 0.000 1.113 209 F CA -0.609 57.390 58.000 -0.001 0.000 1.022 209 F CB 1.900 40.906 39.000 0.011 0.000 1.128 209 F HN 0.363 nan 8.300 nan 0.000 0.466 210 S N 1.873 117.677 115.700 0.174 0.000 2.558 210 S HA 0.341 4.812 4.470 0.001 0.000 0.293 210 S C 1.103 175.761 174.600 0.097 0.000 1.292 210 S CA 1.067 59.318 58.200 0.084 0.000 1.063 210 S CB 0.006 63.247 63.200 0.068 0.000 0.831 210 S HN 1.199 nan 8.310 nan 0.000 0.499 211 G N 2.993 111.773 108.800 -0.033 0.000 2.284 211 G HA2 -0.269 3.692 3.960 0.001 0.000 0.230 211 G HA3 -0.269 3.692 3.960 0.001 0.000 0.230 211 G C 0.379 175.262 174.900 -0.028 0.000 1.021 211 G CA 0.529 45.526 45.100 -0.171 0.000 0.619 211 G HN 1.435 nan 8.290 nan 0.000 0.510 212 T N -0.233 114.375 114.554 0.090 0.000 2.754 212 T HA 0.549 4.899 4.350 0.001 0.000 0.286 212 T C 0.088 174.810 174.700 0.038 0.000 0.997 212 T CA 0.417 62.581 62.100 0.106 0.000 0.982 212 T CB 1.615 70.575 68.868 0.154 0.000 1.027 212 T HN 1.342 nan 8.240 nan 0.000 0.529 213 N N -0.984 117.742 118.700 0.042 0.000 2.312 213 N HA 0.472 5.212 4.740 0.001 0.000 0.296 213 N C -1.124 174.397 175.510 0.018 0.000 1.193 213 N CA -1.160 51.898 53.050 0.014 0.000 0.773 213 N CB 1.042 39.534 38.487 0.009 0.000 1.435 213 N HN 0.470 nan 8.380 nan 0.000 0.484 214 I N 1.431 122.004 120.570 0.005 0.000 2.337 214 I HA 0.219 4.389 4.170 0.001 0.000 0.291 214 I C 1.133 177.254 176.117 0.006 0.000 1.046 214 I CA -0.315 60.988 61.300 0.006 0.000 1.324 214 I CB 0.160 38.160 38.000 -0.000 0.000 1.409 214 I HN 0.953 nan 8.210 nan 0.000 0.494 215 A N 5.640 128.465 122.820 0.009 0.000 1.970 215 A HA 0.499 4.819 4.320 0.001 0.000 0.216 215 A C 1.003 178.587 177.584 -0.000 0.000 1.170 215 A CA 1.020 53.059 52.037 0.004 0.000 0.645 215 A CB 0.155 19.158 19.000 0.006 0.000 0.816 215 A HN 0.808 nan 8.150 nan 0.000 0.447 216 A N -2.660 120.163 122.820 0.005 0.000 2.577 216 A HA 0.636 4.956 4.320 0.001 0.000 0.297 216 A C 0.205 177.803 177.584 0.023 0.000 1.060 216 A CA 0.189 52.234 52.037 0.012 0.000 0.697 216 A CB 0.063 19.067 19.000 0.007 0.000 1.281 216 A HN 2.156 nan 8.150 nan 0.000 0.402 217 G N 0.377 109.197 108.800 0.033 0.000 2.566 217 G HA2 0.324 4.284 3.960 0.001 0.000 0.599 217 G HA3 0.324 4.284 3.960 0.001 0.000 0.599 217 G C -0.667 174.252 174.900 0.032 0.000 1.292 217 G CA -0.128 44.997 45.100 0.040 0.000 0.922 217 G HN 1.271 nan 8.290 nan 0.000 0.514 218 K N -0.361 120.061 120.400 0.037 0.000 2.507 218 K HA 0.751 5.072 4.320 0.001 0.000 0.251 218 K C -0.298 176.321 176.600 0.033 0.000 0.943 218 K CA -0.087 56.220 56.287 0.034 0.000 0.794 218 K CB 1.576 34.100 32.500 0.041 0.000 1.188 218 K HN 1.802 nan 8.250 nan 0.000 0.428 219 A N 3.487 126.322 122.820 0.026 0.000 2.556 219 A HA 0.721 5.041 4.320 0.001 0.000 0.294 219 A C -2.043 175.558 177.584 0.029 0.000 1.091 219 A CA -0.772 51.278 52.037 0.022 0.000 0.704 219 A CB 1.537 20.540 19.000 0.005 0.000 1.300 219 A HN 0.621 nan 8.150 nan 0.000 0.406 220 L N 0.694 121.933 121.223 0.027 0.000 2.346 220 L HA 0.855 5.195 4.340 0.001 0.000 0.276 220 L C 0.244 177.119 176.870 0.009 0.000 1.006 220 L CA 0.397 55.261 54.840 0.039 0.000 0.817 220 L CB 2.012 44.096 42.059 0.043 0.000 1.272 220 L HN 1.111 nan 8.230 nan 0.000 0.421 221 G N 4.014 112.815 108.800 0.002 0.000 2.708 221 G HA2 0.516 4.476 3.960 0.001 0.000 0.289 221 G HA3 0.516 4.476 3.960 0.001 0.000 0.289 221 G C -2.034 172.844 174.900 -0.037 0.000 1.416 221 G CA -0.601 44.482 45.100 -0.027 0.000 0.829 221 G HN 0.709 nan 8.290 nan 0.000 0.480 222 I N 0.820 121.353 120.570 -0.061 0.000 2.406 222 I HA 0.502 4.672 4.170 0.001 0.000 0.290 222 I C -0.249 175.772 176.117 -0.158 0.000 0.999 222 I CA -0.951 60.289 61.300 -0.101 0.000 1.124 222 I CB 1.735 39.690 38.000 -0.075 0.000 1.289 222 I HN 0.250 nan 8.210 nan 0.000 0.441 223 V N 8.450 128.232 119.914 -0.220 0.000 2.493 223 V HA 0.027 4.148 4.120 0.001 0.000 0.292 223 V C 1.180 177.090 176.094 -0.305 0.000 1.016 223 V CA 0.923 63.081 62.300 -0.238 0.000 1.097 223 V CB 0.497 32.175 31.823 -0.242 0.000 0.947 223 V HN 0.977 nan 8.190 nan 0.000 0.479 224 A N 4.670 127.395 122.820 -0.158 0.000 1.924 224 A HA 0.299 4.619 4.320 0.001 0.000 0.211 224 A C 1.070 178.632 177.584 -0.037 0.000 1.198 224 A CA 1.096 53.103 52.037 -0.051 0.000 0.657 224 A CB 0.174 19.162 19.000 -0.020 0.000 0.852 224 A HN 0.872 nan 8.150 nan 0.000 0.454 225 T N -3.254 111.262 114.554 -0.063 0.000 2.868 225 T HA 0.606 4.956 4.350 0.001 0.000 0.306 225 T C -0.457 174.214 174.700 -0.049 0.000 1.224 225 T CA 0.122 62.191 62.100 -0.051 0.000 1.012 225 T CB 1.625 70.500 68.868 0.011 0.000 1.221 225 T HN 0.725 nan 8.240 nan 0.000 0.499 226 T N -2.200 112.333 114.554 -0.034 0.000 2.696 226 T HA 0.816 5.166 4.350 0.001 0.000 0.291 226 T C 1.035 175.756 174.700 0.036 0.000 1.095 226 T CA 0.024 62.121 62.100 -0.004 0.000 1.026 226 T CB 0.954 69.811 68.868 -0.019 0.000 1.390 226 T HN 2.152 nan 8.240 nan 0.000 0.513 227 G N 0.275 109.105 108.800 0.051 0.000 2.627 227 G HA2 -0.311 3.649 3.960 0.001 0.000 0.312 227 G HA3 -0.311 3.649 3.960 0.001 0.000 0.312 227 G C 1.193 176.129 174.900 0.061 0.000 1.299 227 G CA 2.002 47.141 45.100 0.066 0.000 0.989 227 G HN 2.150 nan 8.290 nan 0.000 0.547 228 V N -2.094 117.857 119.914 0.062 0.000 3.383 228 V HA 0.207 4.327 4.120 0.001 0.000 0.272 228 V C 2.146 178.272 176.094 0.052 0.000 1.181 228 V CA 2.688 65.020 62.300 0.053 0.000 1.171 228 V CB 0.060 31.912 31.823 0.049 0.000 0.800 228 V HN 0.753 nan 8.190 nan 0.000 0.515 229 S N 0.562 116.297 115.700 0.058 0.000 2.548 229 S HA 0.090 4.560 4.470 0.001 0.000 0.215 229 S C 1.105 175.740 174.600 0.059 0.000 0.976 229 S CA 0.605 58.840 58.200 0.057 0.000 0.908 229 S CB -0.223 63.014 63.200 0.061 0.000 0.781 229 S HN 0.943 nan 8.310 nan 0.000 0.519 230 T N 0.379 114.970 114.554 0.062 0.000 2.868 230 T HA 0.258 4.609 4.350 0.001 0.000 0.292 230 T C 0.990 175.738 174.700 0.080 0.000 1.028 230 T CA -0.533 61.617 62.100 0.084 0.000 1.059 230 T CB 0.720 69.639 68.868 0.085 0.000 0.991 230 T HN -0.119 nan 8.240 nan 0.000 0.531 231 E N 0.569 120.832 120.200 0.105 0.000 2.130 231 E HA -0.140 4.210 4.350 0.001 0.000 0.196 231 E C 1.678 178.280 176.600 0.004 0.000 0.998 231 E CA 1.078 57.492 56.400 0.025 0.000 0.806 231 E CB -0.284 29.374 29.700 -0.071 0.000 0.738 231 E HN 0.794 nan 8.360 nan 0.000 0.459 232 I N -0.250 120.348 120.570 0.048 0.000 2.876 232 I HA -0.033 4.137 4.170 0.001 0.000 0.264 232 I C 1.951 178.094 176.117 0.042 0.000 1.204 232 I CA 0.859 62.188 61.300 0.048 0.000 1.485 232 I CB -0.060 38.014 38.000 0.124 0.000 1.103 232 I HN 0.018 nan 8.210 nan 0.000 0.446 233 G N 1.131 109.961 108.800 0.050 0.000 2.404 233 G HA2 -0.220 3.740 3.960 0.001 0.000 0.215 233 G HA3 -0.220 3.740 3.960 0.001 0.000 0.215 233 G C 1.643 176.558 174.900 0.025 0.000 1.174 233 G CA 0.573 45.699 45.100 0.043 0.000 0.780 233 G HN 0.315 nan 8.290 nan 0.000 0.537 234 K N 0.146 120.557 120.400 0.018 0.000 1.991 234 K HA -0.018 4.302 4.320 0.001 0.000 0.212 234 K C 2.397 178.990 176.600 -0.011 0.000 1.049 234 K CA 1.291 57.580 56.287 0.003 0.000 0.932 234 K CB -0.381 32.116 32.500 -0.005 0.000 0.717 234 K HN 0.281 nan 8.250 nan 0.000 0.441 235 I N 1.230 121.787 120.570 -0.022 0.000 2.315 235 I HA -0.297 3.873 4.170 0.001 0.000 0.251 235 I C 2.695 178.795 176.117 -0.028 0.000 1.125 235 I CA 0.969 62.248 61.300 -0.035 0.000 1.392 235 I CB -0.268 37.703 38.000 -0.048 0.000 1.065 235 I HN 0.205 nan 8.210 nan 0.000 0.424 236 R N 1.006 121.498 120.500 -0.013 0.000 2.115 236 R HA -0.149 4.191 4.340 0.001 0.000 0.226 236 R C 1.443 177.738 176.300 -0.009 0.000 1.100 236 R CA 1.621 57.715 56.100 -0.009 0.000 0.980 236 R CB -0.377 29.927 30.300 0.008 0.000 0.875 236 R HN 0.303 nan 8.270 nan 0.000 0.445 237 D N 0.673 121.070 120.400 -0.005 0.000 2.103 237 D HA -0.102 4.538 4.640 0.001 0.000 0.199 237 D C 1.999 178.290 176.300 -0.015 0.000 0.978 237 D CA 0.972 54.969 54.000 -0.005 0.000 0.829 237 D CB -0.196 40.605 40.800 0.000 0.000 0.981 237 D HN 0.266 nan 8.370 nan 0.000 0.464 238 Q N -0.077 119.710 119.800 -0.023 0.000 2.096 238 Q HA -0.220 4.120 4.340 0.001 0.000 0.208 238 Q C 2.206 178.186 176.000 -0.032 0.000 0.993 238 Q CA 1.333 57.117 55.803 -0.032 0.000 0.862 238 Q CB -0.185 28.527 28.738 -0.042 0.000 0.915 238 Q HN 0.315 nan 8.270 nan 0.000 0.416 239 M N -0.359 119.223 119.600 -0.032 0.000 2.080 239 M HA -0.190 4.290 4.480 0.001 0.000 0.260 239 M C 2.011 178.296 176.300 -0.026 0.000 1.068 239 M CA 1.796 57.077 55.300 -0.032 0.000 1.109 239 M CB -0.145 32.436 32.600 -0.033 0.000 1.342 239 M HN 0.270 nan 8.290 nan 0.000 0.405 240 A N -0.526 122.283 122.820 -0.019 0.000 2.066 240 A HA 0.133 4.453 4.320 0.001 0.000 0.218 240 A C 1.898 179.473 177.584 -0.015 0.000 1.157 240 A CA 1.365 53.393 52.037 -0.014 0.000 0.670 240 A CB -0.651 18.345 19.000 -0.007 0.000 0.804 240 A HN 0.612 nan 8.150 nan 0.000 0.453 241 A N -0.049 122.760 122.820 -0.018 0.000 2.307 241 A HA 0.348 4.668 4.320 0.001 0.000 0.218 241 A C 1.152 178.721 177.584 -0.024 0.000 1.228 241 A CA 0.763 52.789 52.037 -0.019 0.000 0.857 241 A CB -0.797 18.192 19.000 -0.019 0.000 0.897 241 A HN 0.524 nan 8.150 nan 0.000 0.495 242 T N -1.029 113.509 114.554 -0.027 0.000 2.806 242 T HA 0.543 4.894 4.350 0.001 0.000 0.290 242 T C -0.440 174.243 174.700 -0.027 0.000 0.966 242 T CA -0.597 61.485 62.100 -0.031 0.000 1.060 242 T CB 1.153 69.999 68.868 -0.036 0.000 0.927 242 T HN 0.382 nan 8.240 nan 0.000 0.485 243 E N 2.325 122.509 120.200 -0.027 0.000 2.283 243 E HA 0.388 4.738 4.350 0.001 0.000 0.271 243 E C -0.305 176.280 176.600 -0.024 0.000 1.031 243 E CA -0.863 55.523 56.400 -0.023 0.000 0.868 243 E CB 1.212 30.900 29.700 -0.020 0.000 1.094 243 E HN 0.649 nan 8.360 nan 0.000 0.401 244 Q N 1.646 121.433 119.800 -0.022 0.000 2.323 244 Q HA 0.288 4.628 4.340 0.001 0.000 0.271 244 Q C -1.084 174.905 176.000 -0.019 0.000 1.048 244 Q CA -0.806 54.984 55.803 -0.023 0.000 0.792 244 Q CB 2.180 30.903 28.738 -0.025 0.000 1.280 244 Q HN 0.447 nan 8.270 nan 0.000 0.441 245 D N 1.595 121.984 120.400 -0.018 0.000 2.411 245 D HA 0.198 4.839 4.640 0.001 0.000 0.251 245 D C -0.049 176.243 176.300 -0.014 0.000 1.201 245 D CA -0.217 53.775 54.000 -0.014 0.000 0.996 245 D CB 1.109 41.902 40.800 -0.012 0.000 1.101 245 D HN 0.210 nan 8.370 nan 0.000 0.504 246 K N -0.106 120.289 120.400 -0.009 0.000 2.120 246 K HA 0.175 4.495 4.320 0.001 0.000 0.245 246 K C 0.116 176.711 176.600 -0.009 0.000 1.024 246 K CA -0.248 56.034 56.287 -0.008 0.000 0.906 246 K CB 0.415 32.915 32.500 -0.000 0.000 1.051 246 K HN 0.260 nan 8.250 nan 0.000 0.491 247 T N 3.641 118.190 114.554 -0.008 0.000 2.928 247 T HA -0.005 4.346 4.350 0.001 0.000 0.305 247 T C -1.348 173.350 174.700 -0.004 0.000 1.035 247 T CA -1.170 60.923 62.100 -0.011 0.000 1.145 247 T CB 0.599 69.463 68.868 -0.006 0.000 0.963 247 T HN 0.447 nan 8.240 nan 0.000 0.545 248 P HA -0.127 nan 4.420 nan 0.000 0.216 248 P C 1.580 178.893 177.300 0.022 0.000 1.150 248 P CA 0.752 63.849 63.100 -0.006 0.000 0.843 248 P CB 0.181 31.857 31.700 -0.040 0.000 0.787 249 L N -0.377 120.864 121.223 0.030 0.000 2.217 249 L HA -0.087 4.253 4.340 0.001 0.000 0.211 249 L C 2.675 179.575 176.870 0.050 0.000 1.107 249 L CA 1.721 56.602 54.840 0.067 0.000 0.783 249 L CB -1.052 41.062 42.059 0.092 0.000 0.919 249 L HN -0.110 nan 8.230 nan 0.000 0.442 250 Q N -1.397 118.425 119.800 0.036 0.000 2.137 250 Q HA -0.181 4.159 4.340 0.001 0.000 0.198 250 Q C 2.130 178.155 176.000 0.043 0.000 0.960 250 Q CA 1.337 57.162 55.803 0.035 0.000 0.847 250 Q CB -0.096 28.654 28.738 0.021 0.000 0.915 250 Q HN 0.606 nan 8.270 nan 0.000 0.448 251 Q N 0.393 120.215 119.800 0.037 0.000 2.167 251 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 251 Q C 1.811 177.848 176.000 0.061 0.000 0.970 251 Q CA 0.927 56.754 55.803 0.041 0.000 0.855 251 Q CB 0.061 28.817 28.738 0.029 0.000 0.911 251 Q HN 0.001 nan 8.270 nan 0.000 0.438 252 K N 0.872 121.312 120.400 0.067 0.000 2.103 252 K HA -0.028 4.293 4.320 0.001 0.000 0.204 252 K C 1.646 178.318 176.600 0.119 0.000 1.052 252 K CA 0.868 57.206 56.287 0.086 0.000 0.945 252 K CB 0.005 32.549 32.500 0.073 0.000 0.722 252 K HN 0.122 nan 8.250 nan 0.000 0.443 253 L N 0.367 121.651 121.223 0.101 0.000 2.217 253 L HA -0.113 4.228 4.340 0.001 0.000 0.211 253 L C 1.490 178.480 176.870 0.199 0.000 1.107 253 L CA 0.813 55.738 54.840 0.141 0.000 0.783 253 L CB -0.282 41.828 42.059 0.086 0.000 0.919 253 L HN 0.182 nan 8.230 nan 0.000 0.442 254 D N 0.021 120.498 120.400 0.127 0.000 2.110 254 D HA -0.194 4.446 4.640 0.001 0.000 0.202 254 D C 1.950 178.306 176.300 0.093 0.000 0.975 254 D CA 1.099 55.156 54.000 0.096 0.000 0.839 254 D CB 0.040 40.874 40.800 0.057 0.000 0.996 254 D HN 0.358 nan 8.370 nan 0.000 0.464 255 E N 0.259 120.519 120.200 0.099 0.000 2.097 255 E HA -0.230 4.120 4.350 0.001 0.000 0.196 255 E C 2.111 178.774 176.600 0.105 0.000 1.000 255 E CA 0.786 57.237 56.400 0.086 0.000 0.804 255 E CB -0.322 29.433 29.700 0.091 0.000 0.740 255 E HN 0.192 nan 8.360 nan 0.000 0.454 256 F N 1.168 121.136 119.950 0.029 0.000 2.095 256 F HA -0.083 4.444 4.527 0.001 0.000 0.298 256 F C 2.016 177.830 175.800 0.023 0.000 1.104 256 F CA 2.247 60.265 58.000 0.030 0.000 1.232 256 F CB -0.837 38.179 39.000 0.027 0.000 0.987 256 F HN 0.066 nan 8.300 nan 0.000 0.475 257 G N -0.476 108.227 108.800 -0.162 0.000 2.402 257 G HA2 -0.270 3.691 3.960 0.001 0.000 0.216 257 G HA3 -0.270 3.691 3.960 0.001 0.000 0.216 257 G C 1.572 176.356 174.900 -0.193 0.000 1.162 257 G CA 0.647 45.589 45.100 -0.263 0.000 0.777 257 G HN 0.494 nan 8.290 nan 0.000 0.539 258 E N -0.217 119.930 120.200 -0.088 0.000 2.130 258 E HA -0.203 4.148 4.350 0.001 0.000 0.196 258 E C 2.463 179.015 176.600 -0.081 0.000 0.998 258 E CA 1.130 57.494 56.400 -0.059 0.000 0.806 258 E CB 0.032 29.721 29.700 -0.018 0.000 0.738 258 E HN 0.386 nan 8.360 nan 0.000 0.459 259 Q N -0.018 119.716 119.800 -0.109 0.000 2.123 259 Q HA -0.084 4.257 4.340 0.001 0.000 0.196 259 Q C 2.337 178.240 176.000 -0.161 0.000 0.958 259 Q CA 0.428 56.172 55.803 -0.097 0.000 0.841 259 Q CB -0.423 28.287 28.738 -0.047 0.000 0.915 259 Q HN 0.285 nan 8.270 nan 0.000 0.455 260 L N 1.027 122.052 121.223 -0.329 0.000 2.079 260 L HA -0.153 4.187 4.340 0.001 0.000 0.210 260 L C 2.371 179.122 176.870 -0.197 0.000 1.081 260 L CA 1.897 56.520 54.840 -0.361 0.000 0.752 260 L CB -0.837 40.810 42.059 -0.686 0.000 0.896 260 L HN 0.111 nan 8.230 nan 0.000 0.433 261 S N -1.003 114.599 115.700 -0.165 0.000 2.368 261 S HA -0.192 4.278 4.470 0.001 0.000 0.224 261 S C 2.018 176.579 174.600 -0.066 0.000 1.029 261 S CA 1.400 59.542 58.200 -0.096 0.000 0.988 261 S CB -0.170 62.984 63.200 -0.077 0.000 0.838 261 S HN 0.562 nan 8.310 nan 0.000 0.462 262 K N 0.355 120.717 120.400 -0.062 0.000 2.148 262 K HA -0.005 4.316 4.320 0.001 0.000 0.204 262 K C 1.991 178.574 176.600 -0.028 0.000 1.050 262 K CA 1.307 57.572 56.287 -0.037 0.000 0.942 262 K CB -0.218 32.264 32.500 -0.028 0.000 0.724 262 K HN 0.257 nan 8.250 nan 0.000 0.446 263 V N 1.788 121.677 119.914 -0.041 0.000 2.323 263 V HA -0.226 3.895 4.120 0.001 0.000 0.244 263 V C 2.226 178.311 176.094 -0.015 0.000 1.041 263 V CA 1.243 63.527 62.300 -0.027 0.000 1.025 263 V CB -0.378 31.420 31.823 -0.041 0.000 0.656 263 V HN 0.217 nan 8.190 nan 0.000 0.451 264 I N 1.643 122.195 120.570 -0.030 0.000 2.069 264 I HA -0.249 3.922 4.170 0.001 0.000 0.237 264 I C 2.783 178.902 176.117 0.004 0.000 1.053 264 I CA 2.482 63.775 61.300 -0.013 0.000 1.311 264 I CB -1.617 36.364 38.000 -0.032 0.000 1.030 264 I HN 0.546 nan 8.210 nan 0.000 0.398 265 S N 0.755 116.448 115.700 -0.011 0.000 2.442 265 S HA -0.124 4.346 4.470 0.001 0.000 0.236 265 S C 1.972 176.578 174.600 0.011 0.000 1.007 265 S CA 0.649 58.844 58.200 -0.009 0.000 0.965 265 S CB -0.624 62.562 63.200 -0.023 0.000 0.773 265 S HN 0.384 nan 8.310 nan 0.000 0.504 266 L N 1.075 122.310 121.223 0.020 0.000 2.179 266 L HA 0.301 4.641 4.340 0.001 0.000 0.208 266 L C 2.014 178.933 176.870 0.082 0.000 1.096 266 L CA 1.328 56.192 54.840 0.039 0.000 0.779 266 L CB -0.775 41.300 42.059 0.025 0.000 0.922 266 L HN 0.385 nan 8.230 nan 0.000 0.443 267 I N -1.425 119.201 120.570 0.094 0.000 2.480 267 I HA -0.238 3.932 4.170 0.001 0.000 0.251 267 I C 2.536 178.769 176.117 0.192 0.000 1.124 267 I CA 0.427 61.837 61.300 0.183 0.000 1.444 267 I CB -0.284 37.832 38.000 0.193 0.000 1.098 267 I HN 0.212 nan 8.210 nan 0.000 0.428 268 C N 0.322 119.699 119.300 0.129 0.000 2.419 268 C HA -0.080 4.380 4.460 0.001 0.000 0.281 268 C C 2.728 177.816 174.990 0.163 0.000 1.336 268 C CA 0.574 59.678 59.018 0.143 0.000 1.770 268 C CB -0.705 27.077 27.740 0.069 0.000 1.929 268 C HN 0.355 nan 8.230 nan 0.000 0.509 269 V N 0.364 120.358 119.914 0.132 0.000 2.795 269 V HA 0.059 4.180 4.120 0.001 0.000 0.243 269 V C 2.585 178.831 176.094 0.253 0.000 1.069 269 V CA 1.503 63.907 62.300 0.173 0.000 1.089 269 V CB -0.966 30.904 31.823 0.078 0.000 0.756 269 V HN 0.475 nan 8.190 nan 0.000 0.471 270 A N 0.183 123.124 122.820 0.201 0.000 1.972 270 A HA -0.139 4.181 4.320 0.001 0.000 0.219 270 A C 2.276 179.971 177.584 0.185 0.000 1.169 270 A CA 2.106 54.265 52.037 0.205 0.000 0.635 270 A CB -0.466 18.678 19.000 0.240 0.000 0.810 270 A HN 0.350 nan 8.150 nan 0.000 0.446 271 V N -2.715 117.300 119.914 0.169 0.000 2.649 271 V HA -0.156 3.964 4.120 0.001 0.000 0.248 271 V C 2.062 178.174 176.094 0.030 0.000 1.054 271 V CA 1.263 63.580 62.300 0.030 0.000 1.073 271 V CB -0.826 30.981 31.823 -0.026 0.000 0.699 271 V HN 0.855 nan 8.190 nan 0.000 0.463 272 W N 0.944 122.178 121.300 -0.110 0.000 2.363 272 W HA -0.140 4.520 4.660 0.000 0.000 0.296 272 W C 1.973 178.424 176.519 -0.114 0.000 1.212 272 W CA 1.462 58.693 57.345 -0.190 0.000 1.260 272 W CB -0.209 29.127 29.460 -0.206 0.000 1.131 272 W HN 0.176 nan 8.180 nan 0.000 0.530 273 L N 0.777 121.994 121.223 -0.010 0.000 2.191 273 L HA -0.191 4.149 4.340 0.001 0.000 0.212 273 L C 1.339 178.076 176.870 -0.222 0.000 1.103 273 L CA 0.549 55.290 54.840 -0.166 0.000 0.769 273 L CB -0.766 41.304 42.059 0.018 0.000 0.908 273 L HN -0.074 nan 8.230 nan 0.000 0.438 274 I N 0.439 120.913 120.570 -0.160 0.000 3.832 274 I HA 0.037 4.207 4.170 0.001 0.000 0.324 274 I C 0.452 176.441 176.117 -0.213 0.000 1.447 274 I CA 0.633 61.839 61.300 -0.156 0.000 1.242 274 I CB -1.095 36.840 38.000 -0.109 0.000 1.212 274 I HN 0.298 nan 8.210 nan 0.000 0.415 275 N N 0.610 119.133 118.700 -0.296 0.000 2.232 275 N HA 0.264 5.004 4.740 0.001 0.000 0.240 275 N C 1.358 176.736 175.510 -0.219 0.000 1.307 275 N CA 0.071 52.954 53.050 -0.279 0.000 0.859 275 N CB 1.203 39.563 38.487 -0.212 0.000 1.260 275 N HN 0.305 nan 8.380 nan 0.000 0.501 276 I N -0.018 120.402 120.570 -0.249 0.000 3.001 276 I HA -0.030 4.140 4.170 0.001 0.000 0.268 276 I C 2.231 178.345 176.117 -0.004 0.000 1.267 276 I CA 0.730 61.930 61.300 -0.166 0.000 1.472 276 I CB -0.184 37.673 38.000 -0.238 0.000 1.089 276 I HN 0.074 nan 8.210 nan 0.000 0.468 277 G N 0.234 108.958 108.800 -0.127 0.000 2.509 277 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 277 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 277 G C 1.410 176.246 174.900 -0.107 0.000 1.124 277 G CA 0.359 45.378 45.100 -0.134 0.000 0.776 277 G HN 0.406 nan 8.290 nan 0.000 0.547 278 H N -0.371 118.719 119.070 0.032 0.000 2.495 278 H HA 0.047 4.603 4.556 0.001 0.000 0.287 278 H C 0.810 176.034 175.328 -0.174 0.000 1.033 278 H CA 0.344 56.334 56.048 -0.097 0.000 1.307 278 H CB -0.031 29.615 29.762 -0.192 0.000 1.401 278 H HN 0.395 nan 8.280 nan 0.000 0.555 279 F N 0.519 120.479 119.950 0.016 0.000 2.777 279 F HA 0.174 4.701 4.527 0.001 0.000 0.291 279 F C 1.119 176.911 175.800 -0.014 0.000 1.187 279 F CA -0.142 57.857 58.000 -0.002 0.000 1.406 279 F CB 0.118 39.104 39.000 -0.024 0.000 0.982 279 F HN 0.073 nan 8.300 nan 0.000 0.509 280 N N -0.468 118.290 118.700 0.098 0.000 2.357 280 N HA -0.026 4.714 4.740 0.001 0.000 0.260 280 N C -0.371 175.153 175.510 0.024 0.000 1.035 280 N CA 0.224 53.306 53.050 0.054 0.000 0.839 280 N CB 0.084 38.593 38.487 0.036 0.000 1.723 280 N HN 0.222 nan 8.380 nan 0.000 0.617 281 D N 4.390 124.797 120.400 0.010 0.000 2.426 281 D HA 0.047 4.688 4.640 0.001 0.000 0.261 281 D C -2.151 174.153 176.300 0.006 0.000 1.245 281 D CA -0.975 53.027 54.000 0.003 0.000 0.917 281 D CB 0.155 40.953 40.800 -0.003 0.000 1.123 281 D HN 0.170 nan 8.370 nan 0.000 0.508 282 P HA 0.049 nan 4.420 nan 0.000 0.258 282 P C -0.805 176.515 177.300 0.034 0.000 1.563 282 P CA -0.093 63.017 63.100 0.017 0.000 1.241 282 P CB 0.323 32.032 31.700 0.014 0.000 1.811 283 V N 4.584 124.528 119.914 0.050 0.000 3.036 283 V HA 0.377 4.497 4.120 0.001 0.000 0.288 283 V C -1.703 174.464 176.094 0.121 0.000 1.407 283 V CA -0.680 61.673 62.300 0.088 0.000 0.983 283 V CB 2.330 34.161 31.823 0.014 0.000 1.128 283 V HN 0.700 nan 8.190 nan 0.000 0.439 284 H N 3.280 122.324 119.070 -0.045 0.000 2.690 284 H HA 0.879 5.436 4.556 0.001 0.000 0.368 284 H C -0.249 175.049 175.328 -0.049 0.000 1.150 284 H CA -1.059 54.958 56.048 -0.051 0.000 1.174 284 H CB 2.348 32.088 29.762 -0.036 0.000 1.684 284 H HN 1.239 nan 8.280 nan 0.000 0.538 285 G N 0.236 108.981 108.800 -0.092 0.000 4.494 285 G HA2 0.475 4.435 3.960 0.001 0.000 0.238 285 G HA3 0.475 4.435 3.960 0.001 0.000 0.238 285 G C -0.203 174.651 174.900 -0.076 0.000 3.102 285 G CA 0.039 45.054 45.100 -0.142 0.000 0.616 285 G HN 1.233 nan 8.290 nan 0.000 0.237 286 G N -0.017 108.768 108.800 -0.025 0.000 2.730 286 G HA2 0.274 4.234 3.960 0.001 0.000 0.644 286 G HA3 0.274 4.234 3.960 0.001 0.000 0.644 286 G C 0.414 175.317 174.900 0.005 0.000 1.168 286 G CA 0.420 45.517 45.100 -0.005 0.000 1.240 286 G HN 1.181 nan 8.290 nan 0.000 0.551 287 S N 0.543 116.286 115.700 0.072 0.000 2.341 287 S HA 0.098 4.568 4.470 0.001 0.000 0.204 287 S C 0.937 175.580 174.600 0.071 0.000 1.038 287 S CA 1.589 59.853 58.200 0.107 0.000 1.013 287 S CB 0.058 63.408 63.200 0.250 0.000 0.994 287 S HN 0.706 nan 8.310 nan 0.000 0.430 288 W N 1.163 122.483 121.300 0.035 0.000 2.385 288 W HA 0.578 5.238 4.660 0.001 0.000 0.393 288 W C 0.346 176.905 176.519 0.066 0.000 0.720 288 W CA -0.452 56.924 57.345 0.052 0.000 2.575 288 W CB -0.043 29.450 29.460 0.054 0.000 1.693 288 W HN 0.311 nan 8.180 nan 0.000 0.767 289 I N -0.725 119.952 120.570 0.179 0.000 4.922 289 I HA 0.125 4.296 4.170 0.001 0.000 0.331 289 I C 2.092 178.281 176.117 0.120 0.000 1.260 289 I CA 0.084 61.478 61.300 0.156 0.000 1.366 289 I CB 0.649 38.700 38.000 0.085 0.000 1.386 289 I HN -0.086 nan 8.210 nan 0.000 0.483 290 R N 1.097 121.626 120.500 0.049 0.000 2.495 290 R HA 0.155 4.496 4.340 0.001 0.000 0.299 290 R C 1.087 177.367 176.300 -0.034 0.000 0.902 290 R CA 0.535 56.648 56.100 0.021 0.000 1.103 290 R CB 0.627 30.924 30.300 -0.005 0.000 1.750 290 R HN 0.213 nan 8.270 nan 0.000 0.480 291 G N 0.710 109.463 108.800 -0.078 0.000 3.318 291 G HA2 0.273 4.233 3.960 0.001 0.000 0.230 291 G HA3 0.273 4.233 3.960 0.001 0.000 0.230 291 G C 0.442 175.260 174.900 -0.137 0.000 1.317 291 G CA 0.699 45.706 45.100 -0.155 0.000 1.197 291 G HN 0.308 nan 8.290 nan 0.000 0.514 292 A N -0.710 122.098 122.820 -0.020 0.000 2.346 292 A HA 0.253 4.573 4.320 0.001 0.000 0.221 292 A C 0.991 178.739 177.584 0.274 0.000 2.692 292 A CA -0.358 51.767 52.037 0.146 0.000 1.734 292 A CB -0.787 18.322 19.000 0.183 0.000 0.465 292 A HN 0.195 nan 8.150 nan 0.000 0.705 293 I N -1.504 119.173 120.570 0.178 0.000 2.429 293 I HA -0.061 4.110 4.170 0.001 0.000 0.247 293 I C 2.101 178.367 176.117 0.248 0.000 1.099 293 I CA 1.045 62.449 61.300 0.174 0.000 1.422 293 I CB -0.174 37.894 38.000 0.114 0.000 1.112 293 I HN 0.569 nan 8.210 nan 0.000 0.430 294 Y N 0.902 121.262 120.300 0.100 0.000 2.403 294 Y HA -0.305 4.245 4.550 0.000 0.000 0.291 294 Y C 2.396 178.396 175.900 0.166 0.000 1.143 294 Y CA 1.221 59.381 58.100 0.099 0.000 1.257 294 Y CB -0.561 37.927 38.460 0.047 0.000 0.984 294 Y HN 0.205 nan 8.280 nan 0.000 0.550 295 Y N -0.949 119.390 120.300 0.065 0.000 2.089 295 Y HA -0.311 4.239 4.550 0.000 0.000 0.282 295 Y C 1.637 177.421 175.900 -0.194 0.000 1.139 295 Y CA 1.685 59.731 58.100 -0.090 0.000 1.123 295 Y CB -0.658 37.739 38.460 -0.105 0.000 0.980 295 Y HN -0.013 nan 8.280 nan 0.000 0.493 296 F N 0.897 120.688 119.950 -0.265 0.000 2.771 296 F HA -0.027 4.500 4.527 0.000 0.000 0.299 296 F C 2.029 177.689 175.800 -0.233 0.000 1.177 296 F CA 0.927 58.696 58.000 -0.386 0.000 1.450 296 F CB -0.305 38.507 39.000 -0.313 0.000 1.114 296 F HN 0.040 nan 8.300 nan 0.000 0.587 297 K N 0.567 120.937 120.400 -0.050 0.000 2.314 297 K HA 0.032 4.352 4.320 0.001 0.000 0.198 297 K C 1.565 178.079 176.600 -0.143 0.000 1.045 297 K CA 1.169 57.406 56.287 -0.084 0.000 0.988 297 K CB -0.176 32.276 32.500 -0.080 0.000 0.783 297 K HN 0.100 nan 8.250 nan 0.000 0.484 298 I N 0.278 120.725 120.570 -0.205 0.000 2.927 298 I HA 0.152 4.323 4.170 0.001 0.000 0.268 298 I C 2.079 178.125 176.117 -0.119 0.000 1.153 298 I CA 0.882 62.081 61.300 -0.169 0.000 1.459 298 I CB -1.354 36.524 38.000 -0.202 0.000 1.149 298 I HN 0.121 nan 8.210 nan 0.000 0.443 299 A N 1.606 124.316 122.820 -0.182 0.000 1.986 299 A HA -0.188 4.132 4.320 0.001 0.000 0.220 299 A C 2.393 179.907 177.584 -0.116 0.000 1.171 299 A CA 2.531 54.446 52.037 -0.203 0.000 0.640 299 A CB -0.977 17.729 19.000 -0.491 0.000 0.811 299 A HN 0.362 nan 8.150 nan 0.000 0.451 300 V N -3.245 116.615 119.914 -0.090 0.000 2.649 300 V HA 0.194 4.314 4.120 0.001 0.000 0.248 300 V C 2.444 178.522 176.094 -0.026 0.000 1.054 300 V CA 1.372 63.647 62.300 -0.042 0.000 1.073 300 V CB -1.153 30.655 31.823 -0.024 0.000 0.699 300 V HN 0.471 nan 8.190 nan 0.000 0.463 301 A N 0.626 123.426 122.820 -0.034 0.000 2.015 301 A HA 0.054 4.374 4.320 0.001 0.000 0.219 301 A C 2.213 179.796 177.584 -0.002 0.000 1.163 301 A CA 1.891 53.919 52.037 -0.014 0.000 0.646 301 A CB -0.578 18.407 19.000 -0.025 0.000 0.806 301 A HN 0.580 nan 8.150 nan 0.000 0.448 302 L N -1.057 120.161 121.223 -0.008 0.000 2.044 302 L HA -0.121 4.219 4.340 0.001 0.000 0.205 302 L C 3.031 179.904 176.870 0.006 0.000 1.075 302 L CA 1.025 55.872 54.840 0.011 0.000 0.747 302 L CB -0.475 41.595 42.059 0.019 0.000 0.903 302 L HN 0.406 nan 8.230 nan 0.000 0.435 303 A N -0.647 122.169 122.820 -0.006 0.000 2.015 303 A HA -0.082 4.239 4.320 0.001 0.000 0.219 303 A C 2.226 179.815 177.584 0.009 0.000 1.163 303 A CA 1.252 53.286 52.037 -0.004 0.000 0.646 303 A CB -0.476 18.518 19.000 -0.011 0.000 0.806 303 A HN 0.227 nan 8.150 nan 0.000 0.448 304 V N -0.827 119.094 119.914 0.012 0.000 2.535 304 V HA -0.056 4.064 4.120 0.001 0.000 0.246 304 V C 2.811 178.920 176.094 0.025 0.000 1.045 304 V CA 1.571 63.884 62.300 0.023 0.000 1.058 304 V CB -0.707 31.132 31.823 0.027 0.000 0.689 304 V HN 0.542 nan 8.190 nan 0.000 0.461 305 A N -0.291 122.541 122.820 0.020 0.000 2.123 305 A HA 0.299 4.619 4.320 0.001 0.000 0.214 305 A C 2.176 179.768 177.584 0.014 0.000 1.152 305 A CA 1.232 53.278 52.037 0.016 0.000 0.728 305 A CB -0.284 18.725 19.000 0.016 0.000 0.814 305 A HN 0.498 nan 8.150 nan 0.000 0.464 306 A N -0.591 122.241 122.820 0.021 0.000 2.132 306 A HA 0.419 4.739 4.320 0.001 0.000 0.213 306 A C 0.748 178.374 177.584 0.071 0.000 1.154 306 A CA 0.210 52.265 52.037 0.030 0.000 0.753 306 A CB -0.124 18.879 19.000 0.005 0.000 0.826 306 A HN 0.402 nan 8.150 nan 0.000 0.469 307 I N 1.218 121.824 120.570 0.061 0.000 2.377 307 I HA 0.267 4.437 4.170 0.001 0.000 0.293 307 I C -2.337 173.821 176.117 0.068 0.000 0.987 307 I CA -2.447 58.908 61.300 0.093 0.000 1.185 307 I CB 2.227 40.266 38.000 0.065 0.000 1.341 307 I HN -0.022 nan 8.210 nan 0.000 0.455 308 P HA 0.170 nan 4.420 nan 0.000 0.231 308 P C -0.033 177.277 177.300 0.018 0.000 1.811 308 P CA -0.250 62.862 63.100 0.020 0.000 1.051 308 P CB 0.364 32.061 31.700 -0.005 0.000 1.951 309 E N 1.362 121.572 120.200 0.017 0.000 2.301 309 E HA -0.169 4.181 4.350 0.001 0.000 0.202 309 E C 2.048 178.643 176.600 -0.009 0.000 1.017 309 E CA 1.897 58.304 56.400 0.012 0.000 0.831 309 E CB -0.681 29.028 29.700 0.015 0.000 0.742 309 E HN 0.504 nan 8.360 nan 0.000 0.491 310 G N -0.667 108.115 108.800 -0.029 0.000 3.126 310 G HA2 0.013 3.974 3.960 0.001 0.000 0.224 310 G HA3 0.013 3.974 3.960 0.001 0.000 0.224 310 G C 1.149 176.014 174.900 -0.058 0.000 1.142 310 G CA -0.260 44.806 45.100 -0.056 0.000 0.759 310 G HN 0.124 nan 8.290 nan 0.000 0.550 311 L N 1.557 122.765 121.223 -0.025 0.000 2.017 311 L HA 0.116 4.457 4.340 0.001 0.000 0.208 311 L C -0.044 176.830 176.870 0.007 0.000 1.073 311 L CA 1.866 56.706 54.840 0.000 0.000 0.745 311 L CB -0.844 41.231 42.059 0.028 0.000 0.894 311 L HN 0.004 nan 8.230 nan 0.000 0.432 312 P HA -0.186 nan 4.420 nan 0.000 0.216 312 P C 1.569 178.870 177.300 0.001 0.000 1.153 312 P CA 2.159 65.269 63.100 0.017 0.000 0.858 312 P CB -0.181 31.526 31.700 0.011 0.000 0.789 313 A N -0.747 122.054 122.820 -0.031 0.000 1.877 313 A HA -0.165 4.155 4.320 0.001 0.000 0.216 313 A C 2.343 179.873 177.584 -0.089 0.000 1.186 313 A CA 1.940 53.946 52.037 -0.053 0.000 0.620 313 A CB -1.709 17.246 19.000 -0.075 0.000 0.822 313 A HN 0.024 nan 8.150 nan 0.000 0.443 314 V N 0.205 120.024 119.914 -0.158 0.000 2.407 314 V HA -0.264 3.857 4.120 0.001 0.000 0.248 314 V C 2.411 178.356 176.094 -0.249 0.000 1.055 314 V CA 1.968 64.077 62.300 -0.317 0.000 1.049 314 V CB -0.657 30.838 31.823 -0.546 0.000 0.662 314 V HN 0.554 nan 8.190 nan 0.000 0.455 315 I N -0.212 120.326 120.570 -0.054 0.000 2.202 315 I HA -0.216 3.954 4.170 0.001 0.000 0.242 315 I C 2.557 178.728 176.117 0.090 0.000 1.091 315 I CA 1.809 63.185 61.300 0.126 0.000 1.368 315 I CB -0.544 37.553 38.000 0.161 0.000 1.058 315 I HN 0.317 nan 8.210 nan 0.000 0.410 316 T N 0.081 114.674 114.554 0.066 0.000 2.708 316 T HA -0.164 4.186 4.350 0.001 0.000 0.266 316 T C 1.866 176.630 174.700 0.106 0.000 1.037 316 T CA 2.048 64.211 62.100 0.105 0.000 1.146 316 T CB -0.369 68.581 68.868 0.137 0.000 0.865 316 T HN 0.366 nan 8.240 nan 0.000 0.435 317 T N 1.107 115.689 114.554 0.046 0.000 2.720 317 T HA -0.159 4.191 4.350 0.001 0.000 0.268 317 T C 2.290 177.019 174.700 0.048 0.000 1.037 317 T CA 1.313 63.433 62.100 0.033 0.000 1.144 317 T CB -0.852 67.990 68.868 -0.043 0.000 0.864 317 T HN 0.562 nan 8.240 nan 0.000 0.444 318 C N 1.217 120.532 119.300 0.025 0.000 2.432 318 C HA -0.005 4.455 4.460 0.001 0.000 0.277 318 C C 2.501 177.557 174.990 0.109 0.000 1.249 318 C CA 0.400 59.467 59.018 0.081 0.000 1.725 318 C CB -1.467 26.360 27.740 0.145 0.000 2.028 318 C HN 0.355 nan 8.230 nan 0.000 0.477 319 L N 1.887 123.172 121.223 0.102 0.000 2.017 319 L HA 0.015 4.355 4.340 0.001 0.000 0.208 319 L C 2.974 179.882 176.870 0.064 0.000 1.073 319 L CA 2.402 57.289 54.840 0.079 0.000 0.745 319 L CB -1.542 40.557 42.059 0.067 0.000 0.894 319 L HN 0.456 nan 8.230 nan 0.000 0.432 320 A N -0.739 122.132 122.820 0.086 0.000 1.883 320 A HA -0.217 4.104 4.320 0.001 0.000 0.217 320 A C 2.340 179.968 177.584 0.074 0.000 1.186 320 A CA 1.931 54.026 52.037 0.096 0.000 0.624 320 A CB -0.912 18.204 19.000 0.193 0.000 0.822 320 A HN 0.405 nan 8.150 nan 0.000 0.444 321 L N -0.753 120.516 121.223 0.076 0.000 2.083 321 L HA -0.148 4.193 4.340 0.001 0.000 0.209 321 L C 2.813 179.699 176.870 0.027 0.000 1.083 321 L CA 1.012 55.881 54.840 0.049 0.000 0.752 321 L CB -0.770 41.330 42.059 0.068 0.000 0.899 321 L HN 0.522 nan 8.230 nan 0.000 0.433 322 G N -0.880 107.946 108.800 0.042 0.000 2.421 322 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 322 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 322 G C 1.570 176.475 174.900 0.009 0.000 1.171 322 G CA 1.240 46.356 45.100 0.026 0.000 0.775 322 G HN 0.264 nan 8.290 nan 0.000 0.543 323 T N 0.916 115.475 114.554 0.008 0.000 2.759 323 T HA -0.084 4.266 4.350 0.001 0.000 0.269 323 T C 2.568 177.264 174.700 -0.006 0.000 1.042 323 T CA 1.028 63.123 62.100 -0.008 0.000 1.140 323 T CB -0.098 68.758 68.868 -0.020 0.000 0.864 323 T HN 0.143 nan 8.240 nan 0.000 0.455 324 R N 1.277 121.780 120.500 0.006 0.000 2.073 324 R HA 0.049 4.390 4.340 0.001 0.000 0.234 324 R C 2.532 178.828 176.300 -0.007 0.000 1.134 324 R CA 1.191 57.293 56.100 0.004 0.000 0.952 324 R CB -0.546 29.760 30.300 0.011 0.000 0.850 324 R HN 0.436 nan 8.270 nan 0.000 0.433 325 R N -0.000 120.492 120.500 -0.014 0.000 2.096 325 R HA -0.020 4.321 4.340 0.001 0.000 0.235 325 R C 2.346 178.636 176.300 -0.017 0.000 1.127 325 R CA 1.266 57.354 56.100 -0.020 0.000 0.968 325 R CB -0.204 30.080 30.300 -0.027 0.000 0.861 325 R HN 0.103 nan 8.270 nan 0.000 0.440 326 M N 0.128 119.719 119.600 -0.016 0.000 2.117 326 M HA -0.083 4.398 4.480 0.001 0.000 0.262 326 M C 2.465 178.753 176.300 -0.019 0.000 1.065 326 M CA 1.590 56.878 55.300 -0.020 0.000 1.114 326 M CB -1.187 31.398 32.600 -0.024 0.000 1.361 326 M HN 0.176 nan 8.290 nan 0.000 0.408 327 A N 0.181 122.992 122.820 -0.016 0.000 1.917 327 A HA -0.199 4.121 4.320 0.001 0.000 0.219 327 A C 2.260 179.839 177.584 -0.009 0.000 1.182 327 A CA 1.730 53.760 52.037 -0.012 0.000 0.633 327 A CB -0.708 18.288 19.000 -0.008 0.000 0.819 327 A HN 0.475 nan 8.150 nan 0.000 0.448 328 K N -0.634 119.761 120.400 -0.008 0.000 2.360 328 K HA -0.117 4.204 4.320 0.001 0.000 0.201 328 K C 0.863 177.459 176.600 -0.006 0.000 1.046 328 K CA 1.050 57.334 56.287 -0.006 0.000 0.940 328 K CB -0.015 32.480 32.500 -0.008 0.000 0.748 328 K HN 0.272 nan 8.250 nan 0.000 0.465 329 K N 0.330 120.724 120.400 -0.010 0.000 2.387 329 K HA 0.073 4.393 4.320 0.001 0.000 0.198 329 K C 0.023 176.617 176.600 -0.010 0.000 1.022 329 K CA 0.037 56.317 56.287 -0.010 0.000 1.128 329 K CB 0.393 32.883 32.500 -0.016 0.000 0.853 329 K HN 0.116 nan 8.250 nan 0.000 0.523 330 N N -0.137 118.557 118.700 -0.009 0.000 2.850 330 N HA -0.159 4.581 4.740 0.001 0.000 0.249 330 N C -0.402 175.098 175.510 -0.017 0.000 1.060 330 N CA 1.027 54.072 53.050 -0.008 0.000 0.825 330 N CB -1.416 37.070 38.487 -0.002 0.000 1.132 330 N HN 0.274 nan 8.380 nan 0.000 0.564 331 A N 1.024 123.830 122.820 -0.023 0.000 2.391 331 A HA 0.488 4.808 4.320 0.001 0.000 0.316 331 A C 0.573 178.137 177.584 -0.033 0.000 1.381 331 A CA -0.357 51.660 52.037 -0.034 0.000 0.998 331 A CB 0.154 19.129 19.000 -0.041 0.000 1.147 331 A HN 0.183 nan 8.150 nan 0.000 0.545 332 I N 3.932 124.482 120.570 -0.033 0.000 2.363 332 I HA 0.085 4.255 4.170 0.001 0.000 0.292 332 I C 0.049 176.139 176.117 -0.044 0.000 1.075 332 I CA 0.014 61.294 61.300 -0.035 0.000 1.333 332 I CB 0.621 38.602 38.000 -0.031 0.000 1.415 332 I HN 0.254 nan 8.210 nan 0.000 0.502 333 V N 8.650 128.536 119.914 -0.047 0.000 2.368 333 V HA 0.264 4.384 4.120 0.001 0.000 0.266 333 V C 1.501 177.555 176.094 -0.067 0.000 1.045 333 V CA -0.462 61.805 62.300 -0.055 0.000 0.899 333 V CB 0.897 32.690 31.823 -0.050 0.000 1.006 333 V HN 0.678 nan 8.190 nan 0.000 0.470 334 R N 2.225 122.685 120.500 -0.067 0.000 2.075 334 R HA 0.019 4.359 4.340 0.001 0.000 0.226 334 R C 1.084 177.330 176.300 -0.091 0.000 1.114 334 R CA 0.954 57.007 56.100 -0.077 0.000 0.972 334 R CB 0.084 30.345 30.300 -0.065 0.000 0.869 334 R HN 0.610 nan 8.270 nan 0.000 0.437 335 S N 0.444 116.097 115.700 -0.078 0.000 2.498 335 S HA 0.227 4.697 4.470 0.001 0.000 0.324 335 S C 1.103 175.661 174.600 -0.071 0.000 1.071 335 S CA -0.682 57.471 58.200 -0.079 0.000 1.113 335 S CB 0.869 64.031 63.200 -0.063 0.000 0.976 335 S HN 0.178 nan 8.310 nan 0.000 0.462 336 L N 4.674 125.847 121.223 -0.083 0.000 2.081 336 L HA -0.052 4.289 4.340 0.001 0.000 0.212 336 L C -0.789 176.065 176.870 -0.028 0.000 1.080 336 L CA 1.425 56.230 54.840 -0.058 0.000 0.754 336 L CB -1.636 40.385 42.059 -0.065 0.000 0.893 336 L HN 0.500 nan 8.230 nan 0.000 0.433 337 P HA -0.167 nan 4.420 nan 0.000 0.215 337 P C 1.835 179.124 177.300 -0.019 0.000 1.157 337 P CA 1.834 64.926 63.100 -0.014 0.000 0.868 337 P CB -0.071 31.618 31.700 -0.019 0.000 0.788 338 S N -1.203 114.477 115.700 -0.033 0.000 2.465 338 S HA -0.119 4.351 4.470 0.001 0.000 0.241 338 S C 1.903 176.483 174.600 -0.035 0.000 1.000 338 S CA 1.034 59.210 58.200 -0.040 0.000 0.964 338 S CB -1.774 61.398 63.200 -0.047 0.000 0.763 338 S HN -0.070 nan 8.310 nan 0.000 0.512 339 V N 2.660 122.560 119.914 -0.023 0.000 2.332 339 V HA -0.199 3.922 4.120 0.001 0.000 0.248 339 V C 3.055 179.149 176.094 -0.000 0.000 1.055 339 V CA 2.265 64.558 62.300 -0.012 0.000 1.038 339 V CB -0.717 31.107 31.823 0.002 0.000 0.651 339 V HN 0.728 nan 8.190 nan 0.000 0.450 340 E N 0.098 120.305 120.200 0.012 0.000 2.102 340 E HA -0.152 4.198 4.350 0.001 0.000 0.190 340 E C 2.105 178.683 176.600 -0.037 0.000 0.971 340 E CA 1.633 58.052 56.400 0.032 0.000 0.821 340 E CB -0.437 29.317 29.700 0.091 0.000 0.777 340 E HN 0.547 nan 8.360 nan 0.000 0.460 341 T N 2.581 117.098 114.554 -0.061 0.000 2.760 341 T HA -0.154 4.197 4.350 0.001 0.000 0.269 341 T C 1.946 176.583 174.700 -0.106 0.000 1.047 341 T CA 1.248 63.283 62.100 -0.108 0.000 1.139 341 T CB -0.309 68.512 68.868 -0.077 0.000 0.855 341 T HN 0.151 nan 8.240 nan 0.000 0.471 342 L N 0.596 121.775 121.223 -0.073 0.000 2.187 342 L HA -0.077 4.264 4.340 0.001 0.000 0.213 342 L C 2.760 179.589 176.870 -0.069 0.000 1.100 342 L CA 1.152 55.952 54.840 -0.067 0.000 0.765 342 L CB -0.686 41.340 42.059 -0.055 0.000 0.904 342 L HN 0.403 nan 8.230 nan 0.000 0.437 343 G N -1.545 107.212 108.800 -0.072 0.000 2.471 343 G HA2 -0.205 3.755 3.960 0.001 0.000 0.219 343 G HA3 -0.205 3.755 3.960 0.001 0.000 0.219 343 G C 1.261 176.102 174.900 -0.100 0.000 1.125 343 G CA 0.729 45.794 45.100 -0.060 0.000 0.775 343 G HN 0.503 nan 8.290 nan 0.000 0.548 344 C N 1.295 120.496 119.300 -0.165 0.000 2.791 344 C HA 0.247 4.708 4.460 0.001 0.000 0.270 344 C C 1.206 176.136 174.990 -0.100 0.000 1.257 344 C CA -0.941 57.977 59.018 -0.167 0.000 1.699 344 C CB -1.186 26.396 27.740 -0.263 0.000 1.904 344 C HN 0.226 nan 8.230 nan 0.000 0.603 345 T N 2.238 116.744 114.554 -0.080 0.000 2.866 345 T HA 0.088 4.439 4.350 0.001 0.000 0.293 345 T C 1.175 175.852 174.700 -0.039 0.000 1.005 345 T CA 0.904 62.971 62.100 -0.055 0.000 1.162 345 T CB 0.499 69.336 68.868 -0.052 0.000 0.968 345 T HN 0.702 nan 8.240 nan 0.000 0.530 346 S N 1.400 117.084 115.700 -0.027 0.000 2.526 346 S HA 0.368 4.838 4.470 0.001 0.000 0.220 346 S C 0.267 174.863 174.600 -0.006 0.000 1.017 346 S CA -0.444 57.747 58.200 -0.016 0.000 0.930 346 S CB 0.406 63.599 63.200 -0.011 0.000 0.856 346 S HN 0.436 nan 8.310 nan 0.000 0.497 347 V N 1.742 121.655 119.914 -0.002 0.000 2.888 347 V HA 0.527 4.647 4.120 0.001 0.000 0.309 347 V C -1.209 174.890 176.094 0.007 0.000 1.114 347 V CA -0.793 61.513 62.300 0.009 0.000 0.940 347 V CB 1.986 33.824 31.823 0.025 0.000 1.021 347 V HN 0.361 nan 8.190 nan 0.000 0.426 348 I N 2.867 123.447 120.570 0.018 0.000 2.437 348 I HA 0.344 4.514 4.170 0.001 0.000 0.279 348 I C -0.311 175.834 176.117 0.046 0.000 1.028 348 I CA -0.156 61.157 61.300 0.021 0.000 1.142 348 I CB 1.348 39.363 38.000 0.025 0.000 1.266 348 I HN 0.552 nan 8.210 nan 0.000 0.461 349 C N 3.745 123.067 119.300 0.036 0.000 2.601 349 C HA 0.484 4.944 4.460 0.001 0.000 0.409 349 C C 0.826 175.853 174.990 0.061 0.000 1.293 349 C CA -0.014 59.032 59.018 0.047 0.000 2.101 349 C CB 0.644 28.398 27.740 0.023 0.000 2.639 349 C HN 0.774 nan 8.230 nan 0.000 0.592 350 S N 1.084 116.829 115.700 0.076 0.000 2.575 350 S HA 0.349 4.819 4.470 0.001 0.000 0.278 350 S C -1.023 173.616 174.600 0.064 0.000 1.139 350 S CA -0.597 57.665 58.200 0.104 0.000 0.954 350 S CB 1.088 64.411 63.200 0.205 0.000 1.054 350 S HN 0.880 nan 8.310 nan 0.000 0.483 351 D N 2.903 123.337 120.400 0.057 0.000 2.382 351 D HA 0.249 4.890 4.640 0.001 0.000 0.240 351 D C 0.994 177.304 176.300 0.016 0.000 1.146 351 D CA 0.026 54.043 54.000 0.029 0.000 0.897 351 D CB 0.820 41.631 40.800 0.018 0.000 1.197 351 D HN 0.527 nan 8.370 nan 0.000 0.432 352 K N 0.734 121.132 120.400 -0.002 0.000 2.065 352 K HA 0.044 4.364 4.320 0.001 0.000 0.211 352 K C 0.074 176.660 176.600 -0.024 0.000 1.025 352 K CA 0.200 56.472 56.287 -0.026 0.000 0.948 352 K CB -0.227 32.258 32.500 -0.025 0.000 0.798 352 K HN 0.507 nan 8.250 nan 0.000 0.450 353 T N 0.954 115.498 114.554 -0.016 0.000 2.792 353 T HA 0.165 4.516 4.350 0.001 0.000 0.286 353 T C 0.719 175.413 174.700 -0.009 0.000 0.970 353 T CA 0.836 62.928 62.100 -0.014 0.000 1.187 353 T CB 0.351 69.216 68.868 -0.005 0.000 0.915 353 T HN 0.706 nan 8.240 nan 0.000 0.529 354 G N 3.453 112.245 108.800 -0.013 0.000 2.267 354 G HA2 -0.328 3.632 3.960 0.001 0.000 0.257 354 G HA3 -0.328 3.632 3.960 0.001 0.000 0.257 354 G C 0.967 175.873 174.900 0.010 0.000 0.998 354 G CA 0.689 45.786 45.100 -0.004 0.000 0.620 354 G HN 0.688 nan 8.290 nan 0.000 0.529 355 T N 0.018 114.582 114.554 0.017 0.000 3.234 355 T HA 0.304 4.654 4.350 0.001 0.000 0.235 355 T C 2.019 176.752 174.700 0.056 0.000 0.971 355 T CA 1.032 63.171 62.100 0.066 0.000 1.292 355 T CB -0.170 68.747 68.868 0.081 0.000 0.994 355 T HN 0.060 nan 8.240 nan 0.000 0.412 356 L N 1.950 123.153 121.223 -0.033 0.000 2.156 356 L HA 0.182 4.523 4.340 0.001 0.000 0.208 356 L C 1.541 178.316 176.870 -0.158 0.000 1.095 356 L CA 1.321 56.042 54.840 -0.199 0.000 0.770 356 L CB -1.063 40.871 42.059 -0.209 0.000 0.914 356 L HN 0.497 nan 8.230 nan 0.000 0.439 357 T N -5.826 108.674 114.554 -0.090 0.000 2.938 357 T HA 0.319 4.670 4.350 0.001 0.000 0.285 357 T C 1.168 175.830 174.700 -0.062 0.000 1.028 357 T CA 0.144 62.194 62.100 -0.082 0.000 1.005 357 T CB 1.397 70.222 68.868 -0.073 0.000 1.157 357 T HN 0.167 nan 8.240 nan 0.000 0.550 358 T N -1.741 112.766 114.554 -0.078 0.000 3.067 358 T HA 0.125 4.476 4.350 0.001 0.000 0.257 358 T C 1.023 175.668 174.700 -0.091 0.000 1.105 358 T CA 0.709 62.760 62.100 -0.083 0.000 1.104 358 T CB -0.869 67.926 68.868 -0.122 0.000 0.925 358 T HN 0.957 nan 8.240 nan 0.000 0.498 359 N N 1.219 119.868 118.700 -0.085 0.000 2.754 359 N HA -0.175 4.565 4.740 0.001 0.000 0.248 359 N C -1.161 174.284 175.510 -0.107 0.000 1.093 359 N CA 0.279 53.293 53.050 -0.059 0.000 0.699 359 N CB -0.747 37.731 38.487 -0.016 0.000 1.016 359 N HN 0.693 nan 8.380 nan 0.000 0.552 360 Q N 1.057 120.713 119.800 -0.241 0.000 2.695 360 Q HA 0.223 4.564 4.340 0.001 0.000 0.246 360 Q C -0.278 175.484 176.000 -0.397 0.000 0.961 360 Q CA -0.749 54.701 55.803 -0.588 0.000 0.708 360 Q CB 1.165 29.223 28.738 -1.133 0.000 1.282 360 Q HN 0.242 nan 8.270 nan 0.000 0.482 361 M N 1.770 121.319 119.600 -0.086 0.000 2.273 361 M HA -0.060 4.420 4.480 0.001 0.000 0.424 361 M C -0.323 175.970 176.300 -0.013 0.000 1.461 361 M CA 1.233 56.539 55.300 0.010 0.000 0.819 361 M CB -0.524 32.148 32.600 0.119 0.000 2.023 361 M HN 0.391 nan 8.290 nan 0.000 0.510 362 S N 3.197 118.869 115.700 -0.048 0.000 2.561 362 S HA 0.533 5.003 4.470 0.001 0.000 0.303 362 S C -0.460 174.112 174.600 -0.046 0.000 1.110 362 S CA -0.855 57.314 58.200 -0.052 0.000 1.034 362 S CB 1.868 65.011 63.200 -0.094 0.000 1.010 362 S HN 0.453 nan 8.310 nan 0.000 0.482 363 V N 3.225 123.118 119.914 -0.036 0.000 2.455 363 V HA 0.109 4.229 4.120 0.001 0.000 0.273 363 V C 1.118 177.166 176.094 -0.077 0.000 1.045 363 V CA -0.305 61.965 62.300 -0.050 0.000 0.976 363 V CB 0.311 32.110 31.823 -0.039 0.000 0.993 363 V HN 1.196 nan 8.190 nan 0.000 0.475 364 C N 2.445 121.677 119.300 -0.113 0.000 3.336 364 C HA 0.539 4.999 4.460 0.001 0.000 0.291 364 C C 0.487 175.367 174.990 -0.182 0.000 1.363 364 C CA -0.690 58.248 59.018 -0.132 0.000 1.737 364 C CB -1.096 26.559 27.740 -0.142 0.000 2.274 364 C HN 0.764 nan 8.230 nan 0.000 0.663 365 K N 1.447 121.709 120.400 -0.231 0.000 2.523 365 K HA 0.738 5.059 4.320 0.001 0.000 0.257 365 K C -0.979 175.576 176.600 -0.075 0.000 0.932 365 K CA -0.257 55.831 56.287 -0.331 0.000 0.812 365 K CB 2.231 34.119 32.500 -1.020 0.000 1.326 365 K HN 0.566 nan 8.250 nan 0.000 0.433 366 M N 1.014 120.750 119.600 0.227 0.000 2.603 366 M HA 0.653 5.133 4.480 0.001 0.000 0.275 366 M C -1.804 174.894 176.300 0.663 0.000 1.226 366 M CA -0.953 54.577 55.300 0.384 0.000 0.870 366 M CB 2.014 34.684 32.600 0.117 0.000 1.716 366 M HN 0.592 nan 8.290 nan 0.000 0.482 367 F N 1.246 121.437 119.950 0.400 0.000 2.678 367 F HA 0.889 5.416 4.527 0.001 0.000 0.308 367 F C -1.828 174.106 175.800 0.223 0.000 1.118 367 F CA -1.066 57.132 58.000 0.331 0.000 0.959 367 F CB 1.354 40.478 39.000 0.206 0.000 1.305 367 F HN 0.858 nan 8.300 nan 0.000 0.443 368 I N 0.370 121.309 120.570 0.615 0.000 3.239 368 I HA 0.604 4.774 4.170 0.001 0.000 0.314 368 I C -0.998 175.377 176.117 0.430 0.000 1.126 368 I CA -1.480 60.081 61.300 0.436 0.000 0.973 368 I CB 2.081 40.231 38.000 0.250 0.000 1.252 368 I HN 0.488 nan 8.210 nan 0.000 0.463 369 I N 2.580 123.358 120.570 0.347 0.000 2.556 369 I HA 0.061 4.232 4.170 0.001 0.000 0.284 369 I C 0.691 176.920 176.117 0.186 0.000 1.114 369 I CA 0.518 61.958 61.300 0.233 0.000 1.418 369 I CB 0.297 38.425 38.000 0.212 0.000 1.394 369 I HN 0.793 nan 8.210 nan 0.000 0.552 370 D N 5.513 125.987 120.400 0.124 0.000 2.232 370 D HA 0.024 4.664 4.640 0.001 0.000 0.220 370 D C 0.478 176.855 176.300 0.129 0.000 0.982 370 D CA 1.269 55.353 54.000 0.139 0.000 0.892 370 D CB 0.653 41.510 40.800 0.095 0.000 1.040 370 D HN 0.686 nan 8.370 nan 0.000 0.463 371 K N -1.192 119.268 120.400 0.100 0.000 2.556 371 K HA 0.586 4.907 4.320 0.001 0.000 0.274 371 K C -1.791 174.862 176.600 0.088 0.000 0.966 371 K CA -0.959 55.404 56.287 0.127 0.000 0.865 371 K CB 2.332 34.949 32.500 0.195 0.000 1.444 371 K HN -0.142 nan 8.250 nan 0.000 0.433 372 V N 1.093 121.078 119.914 0.119 0.000 2.638 372 V HA 0.361 4.482 4.120 0.001 0.000 0.306 372 V C -1.590 174.603 176.094 0.165 0.000 1.052 372 V CA -0.468 61.891 62.300 0.098 0.000 0.885 372 V CB 1.673 33.533 31.823 0.062 0.000 0.999 372 V HN 0.979 nan 8.190 nan 0.000 0.424 373 D N 3.127 123.665 120.400 0.229 0.000 2.517 373 D HA 0.546 5.186 4.640 0.001 0.000 0.263 373 D C 0.579 176.975 176.300 0.159 0.000 1.233 373 D CA 1.071 55.186 54.000 0.192 0.000 0.849 373 D CB 0.752 41.676 40.800 0.207 0.000 1.261 373 D HN 0.922 nan 8.370 nan 0.000 0.516 374 G N 2.866 111.726 108.800 0.100 0.000 2.557 374 G HA2 -0.352 3.608 3.960 0.001 0.000 0.292 374 G HA3 -0.352 3.608 3.960 0.001 0.000 0.292 374 G C 0.711 175.653 174.900 0.071 0.000 1.162 374 G CA 0.340 45.484 45.100 0.073 0.000 0.964 374 G HN 0.450 nan 8.290 nan 0.000 0.541 375 D N 0.657 121.105 120.400 0.080 0.000 2.349 375 D HA 0.256 4.896 4.640 0.001 0.000 0.224 375 D C 0.640 176.995 176.300 0.092 0.000 1.029 375 D CA 0.334 54.370 54.000 0.060 0.000 0.879 375 D CB 0.044 40.875 40.800 0.051 0.000 0.906 375 D HN 0.194 nan 8.370 nan 0.000 0.528 376 F N 1.178 121.118 119.950 -0.017 0.000 2.408 376 F HA 0.370 4.898 4.527 0.001 0.000 0.344 376 F C -0.601 175.187 175.800 -0.020 0.000 1.112 376 F CA -1.203 56.784 58.000 -0.020 0.000 1.096 376 F CB 1.042 40.033 39.000 -0.014 0.000 1.129 376 F HN -0.180 nan 8.300 nan 0.000 0.486 377 C N 6.290 125.021 119.300 -0.947 0.000 2.607 377 C HA 0.734 5.194 4.460 0.001 0.000 0.350 377 C C -0.955 173.510 174.990 -0.876 0.000 1.101 377 C CA -0.186 58.407 59.018 -0.708 0.000 1.282 377 C CB 0.032 27.565 27.740 -0.344 0.000 1.825 377 C HN 1.017 nan 8.230 nan 0.000 0.460 378 S N 6.189 121.494 115.700 -0.658 0.000 2.568 378 S HA 0.895 5.365 4.470 0.001 0.000 0.302 378 S C -1.114 173.362 174.600 -0.208 0.000 1.082 378 S CA -0.679 57.283 58.200 -0.396 0.000 1.009 378 S CB 1.298 64.404 63.200 -0.157 0.000 1.069 378 S HN 0.810 nan 8.310 nan 0.000 0.500 379 L N 1.908 123.008 121.223 -0.206 0.000 2.362 379 L HA 0.532 4.872 4.340 0.001 0.000 0.271 379 L C -0.447 176.361 176.870 -0.104 0.000 1.002 379 L CA -1.043 53.700 54.840 -0.162 0.000 0.818 379 L CB 1.673 43.471 42.059 -0.434 0.000 1.298 379 L HN 0.632 nan 8.230 nan 0.000 0.420 380 N N 2.435 121.140 118.700 0.009 0.000 2.439 380 N HA 0.184 4.924 4.740 0.001 0.000 0.243 380 N C -0.739 174.644 175.510 -0.211 0.000 1.088 380 N CA -0.071 52.895 53.050 -0.138 0.000 0.940 380 N CB 0.873 39.382 38.487 0.038 0.000 1.180 380 N HN 0.590 nan 8.380 nan 0.000 0.505 381 E N 1.740 121.732 120.200 -0.347 0.000 2.231 381 E HA 0.435 4.785 4.350 0.001 0.000 0.277 381 E C -0.685 175.649 176.600 -0.443 0.000 0.999 381 E CA -0.320 56.032 56.400 -0.080 0.000 0.827 381 E CB 1.094 30.844 29.700 0.083 0.000 1.101 381 E HN 0.298 nan 8.360 nan 0.000 0.393 382 F N 0.125 120.144 119.950 0.116 0.000 2.613 382 F HA 0.400 4.928 4.527 0.001 0.000 0.314 382 F C 0.207 176.002 175.800 -0.009 0.000 1.075 382 F CA -0.961 57.041 58.000 0.003 0.000 0.945 382 F CB 1.768 40.722 39.000 -0.077 0.000 1.310 382 F HN 0.341 nan 8.300 nan 0.000 0.467 383 S N 1.717 117.506 115.700 0.149 0.000 2.600 383 S HA 0.909 5.379 4.470 0.001 0.000 0.300 383 S C -1.376 173.233 174.600 0.015 0.000 1.087 383 S CA -0.718 57.494 58.200 0.020 0.000 0.965 383 S CB 1.922 65.106 63.200 -0.026 0.000 1.089 383 S HN 0.435 nan 8.310 nan 0.000 0.496 384 I N 2.034 122.583 120.570 -0.036 0.000 2.545 384 I HA 0.433 4.603 4.170 0.001 0.000 0.292 384 I C 0.422 176.509 176.117 -0.050 0.000 1.040 384 I CA -0.500 60.776 61.300 -0.040 0.000 1.068 384 I CB 1.434 39.401 38.000 -0.055 0.000 1.251 384 I HN 0.961 nan 8.210 nan 0.000 0.424 385 T N 0.564 115.093 114.554 -0.042 0.000 2.902 385 T HA 0.803 5.153 4.350 0.001 0.000 0.280 385 T C 0.310 174.980 174.700 -0.050 0.000 0.992 385 T CA -0.339 61.735 62.100 -0.044 0.000 1.015 385 T CB 1.771 70.620 68.868 -0.032 0.000 1.044 385 T HN 1.456 nan 8.240 nan 0.000 0.520 386 G N 0.370 109.139 108.800 -0.052 0.000 3.067 386 G HA2 0.179 4.140 3.960 0.001 0.000 0.686 386 G HA3 0.179 4.140 3.960 0.001 0.000 0.686 386 G C 0.053 174.910 174.900 -0.071 0.000 1.119 386 G CA -0.238 44.828 45.100 -0.057 0.000 0.790 386 G HN 1.688 nan 8.290 nan 0.000 0.605 387 S N -0.705 114.948 115.700 -0.077 0.000 2.663 387 S HA 0.618 5.088 4.470 0.001 0.000 0.243 387 S C 0.881 175.394 174.600 -0.146 0.000 1.009 387 S CA 0.954 59.093 58.200 -0.101 0.000 0.988 387 S CB 0.506 63.653 63.200 -0.089 0.000 0.896 387 S HN 2.106 nan 8.310 nan 0.000 0.502 388 T N -2.232 112.236 114.554 -0.145 0.000 2.693 388 T HA 0.564 4.914 4.350 0.001 0.000 0.278 388 T C -0.120 174.470 174.700 -0.183 0.000 0.994 388 T CA -0.623 61.347 62.100 -0.217 0.000 1.033 388 T CB 0.247 69.056 68.868 -0.097 0.000 1.342 388 T HN -0.061 nan 8.240 nan 0.000 0.538 389 Y N 0.543 120.838 120.300 -0.008 0.000 2.490 389 Y HA 0.575 5.125 4.550 0.001 0.000 0.281 389 Y C 1.699 177.510 175.900 -0.147 0.000 1.174 389 Y CA -0.656 57.426 58.100 -0.030 0.000 1.295 389 Y CB -0.897 37.589 38.460 0.043 0.000 1.062 389 Y HN 0.831 nan 8.280 nan 0.000 0.522 390 A N 1.504 124.284 122.820 -0.065 0.000 2.488 390 A HA 0.240 4.561 4.320 0.001 0.000 0.249 390 A C -1.867 175.508 177.584 -0.349 0.000 1.083 390 A CA -1.144 50.643 52.037 -0.416 0.000 0.768 390 A CB -0.014 18.891 19.000 -0.158 0.000 1.017 390 A HN 0.066 nan 8.150 nan 0.000 0.496 391 P HA 0.103 nan 4.420 nan 0.000 0.269 391 P C -0.680 176.520 177.300 -0.166 0.000 1.601 391 P CA 0.652 63.602 63.100 -0.249 0.000 0.831 391 P CB -0.308 31.250 31.700 -0.237 0.000 1.688 392 E N 0.580 120.692 120.200 -0.145 0.000 2.165 392 E HA 0.653 5.003 4.350 0.001 0.000 0.266 392 E C 0.423 176.985 176.600 -0.063 0.000 0.889 392 E CA -0.669 55.680 56.400 -0.084 0.000 0.756 392 E CB 1.546 31.208 29.700 -0.063 0.000 1.131 392 E HN 0.134 nan 8.360 nan 0.000 0.411 393 G N 2.407 111.177 108.800 -0.050 0.000 2.352 393 G HA2 0.166 4.127 3.960 0.001 0.000 0.302 393 G HA3 0.166 4.127 3.960 0.001 0.000 0.302 393 G C -1.657 173.220 174.900 -0.037 0.000 1.370 393 G CA -0.942 44.133 45.100 -0.042 0.000 0.918 393 G HN 0.501 nan 8.290 nan 0.000 0.610 394 E N -1.398 118.784 120.200 -0.030 0.000 2.369 394 E HA 0.697 5.047 4.350 0.001 0.000 0.270 394 E C -1.207 175.382 176.600 -0.019 0.000 0.909 394 E CA -1.117 55.269 56.400 -0.022 0.000 0.775 394 E CB 2.668 32.363 29.700 -0.008 0.000 1.270 394 E HN 0.430 nan 8.360 nan 0.000 0.445 395 V N 2.556 122.460 119.914 -0.017 0.000 2.407 395 V HA 0.316 4.436 4.120 0.001 0.000 0.278 395 V C -0.120 176.006 176.094 0.052 0.000 1.037 395 V CA -0.428 61.867 62.300 -0.008 0.000 0.900 395 V CB 0.488 32.267 31.823 -0.075 0.000 0.983 395 V HN 0.483 nan 8.190 nan 0.000 0.459 396 L N 4.421 125.697 121.223 0.088 0.000 2.333 396 L HA 0.722 5.062 4.340 0.001 0.000 0.269 396 L C -0.401 176.560 176.870 0.152 0.000 1.010 396 L CA -0.879 54.022 54.840 0.102 0.000 0.818 396 L CB 1.986 44.074 42.059 0.049 0.000 1.306 396 L HN 0.500 nan 8.230 nan 0.000 0.430 397 K N 1.772 122.232 120.400 0.099 0.000 2.507 397 K HA 0.321 4.641 4.320 0.001 0.000 0.252 397 K C -0.696 175.894 176.600 -0.017 0.000 0.943 397 K CA -0.512 55.764 56.287 -0.018 0.000 0.808 397 K CB 0.898 33.367 32.500 -0.051 0.000 1.142 397 K HN 0.668 nan 8.250 nan 0.000 0.426 398 N N 4.311 122.983 118.700 -0.046 0.000 2.738 398 N HA -0.192 4.549 4.740 0.001 0.000 0.249 398 N C -1.059 174.450 175.510 -0.002 0.000 1.047 398 N CA 1.568 54.604 53.050 -0.023 0.000 0.707 398 N CB -0.920 37.556 38.487 -0.019 0.000 0.937 398 N HN 0.999 nan 8.380 nan 0.000 0.545 399 D N -2.439 117.962 120.400 0.001 0.000 3.077 399 D HA -0.198 4.442 4.640 0.001 0.000 0.217 399 D C -0.147 176.163 176.300 0.017 0.000 1.162 399 D CA 1.333 55.337 54.000 0.007 0.000 0.943 399 D CB -0.720 40.080 40.800 0.001 0.000 1.122 399 D HN 0.610 nan 8.370 nan 0.000 0.413 400 K N 0.101 120.518 120.400 0.029 0.000 2.378 400 K HA 0.468 4.788 4.320 0.001 0.000 0.252 400 K C -2.739 173.897 176.600 0.060 0.000 0.931 400 K CA -1.805 54.505 56.287 0.039 0.000 0.794 400 K CB 2.521 35.045 32.500 0.040 0.000 1.181 400 K HN -0.242 nan 8.250 nan 0.000 0.425 401 P HA -0.000 nan 4.420 nan 0.000 0.266 401 P C -0.651 176.703 177.300 0.091 0.000 1.195 401 P CA -0.020 63.117 63.100 0.061 0.000 0.768 401 P CB 0.399 32.123 31.700 0.040 0.000 0.838 402 I N -0.033 120.604 120.570 0.111 0.000 3.195 402 I HA 0.519 4.689 4.170 0.001 0.000 0.313 402 I C -1.193 174.998 176.117 0.123 0.000 1.237 402 I CA -1.558 59.838 61.300 0.161 0.000 0.963 402 I CB 2.234 40.415 38.000 0.302 0.000 1.278 402 I HN 0.130 nan 8.210 nan 0.000 0.460 403 R N 2.527 123.112 120.500 0.142 0.000 2.204 403 R HA 0.385 4.725 4.340 0.001 0.000 0.341 403 R C 0.649 177.027 176.300 0.130 0.000 1.035 403 R CA -0.560 55.591 56.100 0.086 0.000 0.887 403 R CB 0.885 31.219 30.300 0.056 0.000 1.114 403 R HN 0.762 nan 8.270 nan 0.000 0.473 404 S N 2.398 118.117 115.700 0.031 0.000 2.392 404 S HA -0.185 4.286 4.470 0.001 0.000 0.232 404 S C 1.954 176.578 174.600 0.041 0.000 1.041 404 S CA 1.995 60.178 58.200 -0.027 0.000 1.026 404 S CB -0.143 62.949 63.200 -0.180 0.000 0.845 404 S HN 0.893 nan 8.310 nan 0.000 0.465 405 G N 0.630 109.410 108.800 -0.032 0.000 2.479 405 G HA2 -0.216 3.744 3.960 0.001 0.000 0.220 405 G HA3 -0.216 3.744 3.960 0.001 0.000 0.220 405 G C 1.100 175.989 174.900 -0.019 0.000 1.115 405 G CA 0.432 45.488 45.100 -0.074 0.000 0.757 405 G HN 0.543 nan 8.290 nan 0.000 0.560 406 Q N -0.830 118.979 119.800 0.014 0.000 2.415 406 Q HA 0.195 4.535 4.340 0.001 0.000 0.206 406 Q C -0.655 175.166 176.000 -0.299 0.000 0.946 406 Q CA -0.037 55.691 55.803 -0.124 0.000 0.951 406 Q CB 0.153 28.791 28.738 -0.166 0.000 1.026 406 Q HN 0.475 nan 8.270 nan 0.000 0.510 407 F N 0.012 119.946 119.950 -0.027 0.000 2.460 407 F HA 0.200 4.728 4.527 0.001 0.000 0.341 407 F C 0.588 176.363 175.800 -0.041 0.000 1.130 407 F CA -0.956 57.042 58.000 -0.003 0.000 0.962 407 F CB 1.514 40.515 39.000 0.001 0.000 1.171 407 F HN -0.110 nan 8.300 nan 0.000 0.436 408 D N 2.370 122.839 120.400 0.114 0.000 2.178 408 D HA -0.117 4.523 4.640 0.001 0.000 0.201 408 D C 2.210 178.543 176.300 0.055 0.000 0.980 408 D CA 1.307 55.342 54.000 0.059 0.000 0.842 408 D CB -0.063 40.766 40.800 0.049 0.000 0.948 408 D HN 0.804 nan 8.370 nan 0.000 0.472 409 G N 0.965 109.829 108.800 0.107 0.000 2.408 409 G HA2 -0.162 3.798 3.960 0.001 0.000 0.217 409 G HA3 -0.162 3.798 3.960 0.001 0.000 0.217 409 G C 1.801 176.690 174.900 -0.019 0.000 1.150 409 G CA 0.106 45.244 45.100 0.062 0.000 0.776 409 G HN 0.232 nan 8.290 nan 0.000 0.542 410 L N 0.413 121.617 121.223 -0.031 0.000 2.093 410 L HA -0.062 4.278 4.340 0.001 0.000 0.208 410 L C 2.962 179.727 176.870 -0.174 0.000 1.085 410 L CA 0.386 55.130 54.840 -0.160 0.000 0.755 410 L CB -0.518 41.386 42.059 -0.257 0.000 0.904 410 L HN 0.079 nan 8.230 nan 0.000 0.435 411 V N -0.017 119.810 119.914 -0.145 0.000 2.392 411 V HA -0.305 3.815 4.120 0.001 0.000 0.249 411 V C 2.438 178.419 176.094 -0.189 0.000 1.059 411 V CA 1.930 64.097 62.300 -0.221 0.000 1.051 411 V CB -0.441 31.275 31.823 -0.179 0.000 0.658 411 V HN 0.485 nan 8.190 nan 0.000 0.455 412 E N -0.354 119.766 120.200 -0.133 0.000 2.072 412 E HA -0.182 4.168 4.350 0.001 0.000 0.190 412 E C 2.224 178.700 176.600 -0.206 0.000 0.982 412 E CA 0.951 57.261 56.400 -0.149 0.000 0.803 412 E CB -0.066 29.585 29.700 -0.082 0.000 0.755 412 E HN 0.490 nan 8.360 nan 0.000 0.453 413 L N 0.830 121.944 121.223 -0.183 0.000 1.990 413 L HA -0.253 4.087 4.340 0.001 0.000 0.213 413 L C 2.389 179.135 176.870 -0.207 0.000 1.072 413 L CA 2.150 56.872 54.840 -0.196 0.000 0.755 413 L CB -0.422 41.525 42.059 -0.186 0.000 0.889 413 L HN 0.164 nan 8.230 nan 0.000 0.432 414 A N -1.735 120.959 122.820 -0.210 0.000 1.948 414 A HA -0.252 4.068 4.320 0.001 0.000 0.220 414 A C 2.264 179.723 177.584 -0.208 0.000 1.177 414 A CA 2.457 54.375 52.037 -0.199 0.000 0.636 414 A CB -1.174 17.693 19.000 -0.222 0.000 0.815 414 A HN 0.544 nan 8.150 nan 0.000 0.449 415 T N 0.038 114.436 114.554 -0.259 0.000 2.867 415 T HA -0.014 4.337 4.350 0.001 0.000 0.268 415 T C 1.720 176.122 174.700 -0.497 0.000 1.057 415 T CA 1.364 63.260 62.100 -0.339 0.000 1.136 415 T CB -0.327 68.309 68.868 -0.386 0.000 0.874 415 T HN 0.468 nan 8.240 nan 0.000 0.466 416 I N 0.476 120.765 120.570 -0.467 0.000 2.406 416 I HA -0.114 4.056 4.170 0.001 0.000 0.249 416 I C 2.492 178.494 176.117 -0.192 0.000 1.122 416 I CA 0.588 61.654 61.300 -0.390 0.000 1.431 416 I CB -0.400 37.459 38.000 -0.234 0.000 1.087 416 I HN 0.299 nan 8.210 nan 0.000 0.424 417 C N 0.945 120.147 119.300 -0.164 0.000 2.425 417 C HA -0.119 4.341 4.460 0.001 0.000 0.277 417 C C 3.160 178.100 174.990 -0.084 0.000 1.280 417 C CA 1.095 60.052 59.018 -0.103 0.000 1.744 417 C CB -1.152 26.527 27.740 -0.101 0.000 1.989 417 C HN 0.590 nan 8.230 nan 0.000 0.491 418 A N -0.198 122.559 122.820 -0.105 0.000 1.970 418 A HA 0.068 4.388 4.320 0.001 0.000 0.216 418 A C 2.073 179.627 177.584 -0.051 0.000 1.170 418 A CA 1.183 53.178 52.037 -0.069 0.000 0.645 418 A CB -0.335 18.627 19.000 -0.064 0.000 0.816 418 A HN 0.605 nan 8.150 nan 0.000 0.447 419 L N -1.659 119.519 121.223 -0.076 0.000 2.221 419 L HA 0.057 4.397 4.340 0.001 0.000 0.202 419 L C 1.408 178.302 176.870 0.040 0.000 1.074 419 L CA 0.194 55.028 54.840 -0.010 0.000 0.795 419 L CB -0.285 41.778 42.059 0.007 0.000 0.960 419 L HN 0.402 nan 8.230 nan 0.000 0.458 420 C N 2.358 121.681 119.300 0.039 0.000 2.518 420 C HA 0.330 4.791 4.460 0.001 0.000 0.456 420 C C 0.224 175.239 174.990 0.042 0.000 1.016 420 C CA -0.194 58.867 59.018 0.072 0.000 1.210 420 C CB -2.376 25.421 27.740 0.094 0.000 1.542 420 C HN 0.466 nan 8.230 nan 0.000 0.545 421 N N 1.954 120.676 118.700 0.037 0.000 2.635 421 N HA 0.206 4.946 4.740 0.001 0.000 0.260 421 N C -0.526 175.000 175.510 0.026 0.000 1.078 421 N CA -0.386 52.678 53.050 0.023 0.000 1.012 421 N CB 1.147 39.635 38.487 0.001 0.000 1.677 421 N HN 0.307 nan 8.380 nan 0.000 0.514 422 D N 0.689 121.104 120.400 0.026 0.000 2.379 422 D HA 0.172 4.813 4.640 0.001 0.000 0.208 422 D C -0.091 176.215 176.300 0.010 0.000 1.065 422 D CA 0.615 54.631 54.000 0.027 0.000 0.848 422 D CB 0.628 41.452 40.800 0.039 0.000 0.949 422 D HN 0.336 nan 8.370 nan 0.000 0.509 423 S N -0.545 115.153 115.700 -0.004 0.000 2.768 423 S HA 0.760 5.230 4.470 0.001 0.000 0.300 423 S C 0.334 174.917 174.600 -0.027 0.000 1.122 423 S CA -0.619 57.567 58.200 -0.022 0.000 0.995 423 S CB 1.912 65.087 63.200 -0.041 0.000 1.195 423 S HN 0.211 nan 8.310 nan 0.000 0.547 424 S N -0.657 115.016 115.700 -0.044 0.000 2.757 424 S HA 0.744 5.215 4.470 0.001 0.000 0.285 424 S C -1.715 172.846 174.600 -0.064 0.000 1.196 424 S CA -0.762 57.416 58.200 -0.038 0.000 0.856 424 S CB 0.752 63.945 63.200 -0.011 0.000 1.212 424 S HN 0.573 nan 8.310 nan 0.000 0.516 425 L N 0.693 121.902 121.223 -0.024 0.000 2.341 425 L HA 0.892 5.233 4.340 0.001 0.000 0.267 425 L C -1.644 175.271 176.870 0.076 0.000 1.009 425 L CA -0.033 54.804 54.840 -0.004 0.000 0.819 425 L CB 1.909 43.984 42.059 0.027 0.000 1.323 425 L HN 0.866 nan 8.230 nan 0.000 0.425 426 D N 1.550 122.020 120.400 0.117 0.000 2.602 426 D HA 0.314 4.954 4.640 0.001 0.000 0.236 426 D C -1.839 174.556 176.300 0.158 0.000 1.209 426 D CA -0.070 54.007 54.000 0.130 0.000 0.831 426 D CB 2.389 43.212 40.800 0.039 0.000 1.478 426 D HN 0.354 nan 8.370 nan 0.000 0.438 427 F N 2.498 122.399 119.950 -0.082 0.000 2.332 427 F HA 0.264 4.791 4.527 0.001 0.000 0.368 427 F C 0.263 175.962 175.800 -0.169 0.000 1.110 427 F CA -0.849 56.976 58.000 -0.292 0.000 1.087 427 F CB 0.458 39.174 39.000 -0.473 0.000 1.235 427 F HN 0.030 nan 8.300 nan 0.000 0.470 428 N N 5.199 123.463 118.700 -0.727 0.000 2.406 428 N HA -0.036 4.705 4.740 0.001 0.000 0.269 428 N C 0.847 175.871 175.510 -0.809 0.000 1.210 428 N CA 0.467 53.191 53.050 -0.542 0.000 0.966 428 N CB 0.263 38.541 38.487 -0.349 0.000 1.293 428 N HN 0.777 nan 8.380 nan 0.000 0.491 429 E N 1.143 121.052 120.200 -0.485 0.000 2.331 429 E HA -0.141 4.209 4.350 0.001 0.000 0.199 429 E C 0.888 177.386 176.600 -0.169 0.000 1.008 429 E CA 1.206 57.466 56.400 -0.233 0.000 0.843 429 E CB 0.334 30.049 29.700 0.026 0.000 0.761 429 E HN 0.603 nan 8.360 nan 0.000 0.507 430 T N 0.873 115.318 114.554 -0.182 0.000 2.684 430 T HA -0.071 4.279 4.350 0.001 0.000 0.253 430 T C 1.557 176.182 174.700 -0.125 0.000 1.057 430 T CA 0.847 62.880 62.100 -0.112 0.000 1.162 430 T CB -0.082 68.733 68.868 -0.089 0.000 0.868 430 T HN 0.057 nan 8.240 nan 0.000 0.409 431 K N 0.876 121.179 120.400 -0.162 0.000 2.442 431 K HA 0.158 4.478 4.320 0.001 0.000 0.198 431 K C 1.244 177.746 176.600 -0.163 0.000 1.042 431 K CA 0.443 56.652 56.287 -0.132 0.000 0.958 431 K CB -0.188 32.241 32.500 -0.117 0.000 0.766 431 K HN 0.474 nan 8.250 nan 0.000 0.474 432 G N 1.704 110.326 108.800 -0.296 0.000 2.295 432 G HA2 -0.238 3.722 3.960 0.001 0.000 0.287 432 G HA3 -0.238 3.722 3.960 0.001 0.000 0.287 432 G C -0.065 174.687 174.900 -0.248 0.000 1.055 432 G CA 0.441 45.385 45.100 -0.259 0.000 0.922 432 G HN 0.308 nan 8.290 nan 0.000 0.503 433 V N -4.191 115.386 119.914 -0.561 0.000 3.087 433 V HA 0.778 4.898 4.120 0.001 0.000 0.306 433 V C -0.234 175.709 176.094 -0.252 0.000 1.187 433 V CA -2.513 59.678 62.300 -0.181 0.000 0.999 433 V CB 1.302 33.118 31.823 -0.012 0.000 1.049 433 V HN 0.352 nan 8.190 nan 0.000 0.431 434 Y N 1.314 121.709 120.300 0.159 0.000 2.377 434 Y HA 0.558 5.108 4.550 0.001 0.000 0.330 434 Y C 0.861 176.845 175.900 0.140 0.000 1.108 434 Y CA 0.425 58.645 58.100 0.201 0.000 1.308 434 Y CB 0.829 39.451 38.460 0.270 0.000 1.216 434 Y HN 0.706 nan 8.280 nan 0.000 0.518 435 E N 2.818 123.130 120.200 0.187 0.000 2.299 435 E HA 0.306 4.656 4.350 0.001 0.000 0.265 435 E C -0.953 175.601 176.600 -0.075 0.000 0.911 435 E CA -1.382 55.073 56.400 0.091 0.000 0.789 435 E CB 1.950 31.657 29.700 0.011 0.000 1.246 435 E HN 0.495 nan 8.360 nan 0.000 0.427 436 K N -0.285 119.961 120.400 -0.257 0.000 2.126 436 K HA 0.453 4.773 4.320 0.001 0.000 0.257 436 K C -0.715 175.779 176.600 -0.177 0.000 1.007 436 K CA -0.560 55.467 56.287 -0.432 0.000 0.928 436 K CB 0.894 33.034 32.500 -0.599 0.000 1.013 436 K HN 0.158 nan 8.250 nan 0.000 0.473 437 V N 1.768 121.594 119.914 -0.147 0.000 2.445 437 V HA 0.492 4.612 4.120 0.001 0.000 0.283 437 V C 0.384 176.438 176.094 -0.067 0.000 1.014 437 V CA 0.195 62.450 62.300 -0.076 0.000 0.852 437 V CB 0.037 31.831 31.823 -0.048 0.000 1.021 437 V HN 1.226 nan 8.190 nan 0.000 0.435 438 G N 4.082 112.852 108.800 -0.050 0.000 2.501 438 G HA2 -0.113 3.847 3.960 0.001 0.000 0.213 438 G HA3 -0.113 3.847 3.960 0.001 0.000 0.213 438 G C -0.479 174.398 174.900 -0.039 0.000 1.158 438 G CA -0.384 44.695 45.100 -0.035 0.000 1.079 438 G HN 0.605 nan 8.290 nan 0.000 0.586 439 E N 1.503 121.683 120.200 -0.034 0.000 2.338 439 E HA 0.594 4.945 4.350 0.001 0.000 0.272 439 E C 1.519 178.101 176.600 -0.030 0.000 1.029 439 E CA 0.539 56.923 56.400 -0.027 0.000 0.872 439 E CB 1.184 30.867 29.700 -0.028 0.000 1.015 439 E HN 1.038 nan 8.360 nan 0.000 0.417 440 A N 3.666 126.492 122.820 0.010 0.000 1.877 440 A HA -0.178 4.142 4.320 0.001 0.000 0.216 440 A C 2.111 179.742 177.584 0.079 0.000 1.186 440 A CA 2.176 54.260 52.037 0.078 0.000 0.620 440 A CB -0.599 18.489 19.000 0.147 0.000 0.822 440 A HN 0.695 nan 8.150 nan 0.000 0.443 441 T N 0.016 114.593 114.554 0.039 0.000 2.665 441 T HA -0.178 4.172 4.350 0.001 0.000 0.268 441 T C 1.779 176.488 174.700 0.015 0.000 1.035 441 T CA 1.862 63.977 62.100 0.025 0.000 1.151 441 T CB -0.295 68.569 68.868 -0.008 0.000 0.862 441 T HN 0.663 nan 8.240 nan 0.000 0.438 442 E N 0.154 120.351 120.200 -0.005 0.000 2.107 442 E HA -0.068 4.282 4.350 0.001 0.000 0.191 442 E C 2.451 179.038 176.600 -0.022 0.000 0.982 442 E CA 1.145 57.538 56.400 -0.012 0.000 0.809 442 E CB -0.157 29.533 29.700 -0.016 0.000 0.756 442 E HN 0.378 nan 8.360 nan 0.000 0.459 443 T N 1.070 115.595 114.554 -0.049 0.000 2.788 443 T HA -0.148 4.202 4.350 0.001 0.000 0.268 443 T C 1.998 176.697 174.700 -0.002 0.000 1.044 443 T CA 1.081 63.118 62.100 -0.105 0.000 1.139 443 T CB -0.196 68.464 68.868 -0.346 0.000 0.867 443 T HN 0.237 nan 8.240 nan 0.000 0.454 444 A N 1.530 124.406 122.820 0.092 0.000 1.892 444 A HA -0.087 4.233 4.320 0.001 0.000 0.218 444 A C 2.155 179.764 177.584 0.042 0.000 1.188 444 A CA 1.364 53.476 52.037 0.125 0.000 0.631 444 A CB -0.866 18.193 19.000 0.098 0.000 0.822 444 A HN 0.351 nan 8.150 nan 0.000 0.447 445 L N -0.229 121.001 121.223 0.011 0.000 2.042 445 L HA -0.138 4.203 4.340 0.001 0.000 0.210 445 L C 2.735 179.589 176.870 -0.027 0.000 1.076 445 L CA 2.383 57.212 54.840 -0.018 0.000 0.749 445 L CB -1.451 40.594 42.059 -0.023 0.000 0.893 445 L HN 0.397 nan 8.230 nan 0.000 0.432 446 T N -1.479 113.061 114.554 -0.023 0.000 2.708 446 T HA -0.199 4.151 4.350 0.001 0.000 0.266 446 T C 1.845 176.530 174.700 -0.025 0.000 1.037 446 T CA 1.976 64.059 62.100 -0.028 0.000 1.146 446 T CB -0.376 68.471 68.868 -0.034 0.000 0.865 446 T HN 0.586 nan 8.240 nan 0.000 0.435 447 T N 0.993 115.544 114.554 -0.006 0.000 2.951 447 T HA 0.011 4.362 4.350 0.001 0.000 0.268 447 T C 1.987 176.665 174.700 -0.037 0.000 1.073 447 T CA 0.730 62.821 62.100 -0.016 0.000 1.134 447 T CB -0.455 68.430 68.868 0.028 0.000 0.884 447 T HN 0.181 nan 8.240 nan 0.000 0.479 448 L N 1.494 122.697 121.223 -0.034 0.000 1.994 448 L HA 0.062 4.402 4.340 0.001 0.000 0.208 448 L C 2.595 179.419 176.870 -0.076 0.000 1.071 448 L CA 1.556 56.361 54.840 -0.057 0.000 0.745 448 L CB -0.985 41.039 42.059 -0.059 0.000 0.892 448 L HN 0.169 nan 8.230 nan 0.000 0.431 449 V N 0.180 120.050 119.914 -0.073 0.000 2.332 449 V HA -0.271 3.849 4.120 0.001 0.000 0.248 449 V C 2.702 178.753 176.094 -0.072 0.000 1.055 449 V CA 1.968 64.218 62.300 -0.083 0.000 1.038 449 V CB -0.757 31.025 31.823 -0.069 0.000 0.651 449 V HN 0.509 nan 8.190 nan 0.000 0.450 450 E N 0.011 120.177 120.200 -0.057 0.000 2.150 450 E HA -0.185 4.166 4.350 0.001 0.000 0.193 450 E C 2.224 178.787 176.600 -0.062 0.000 0.985 450 E CA 1.033 57.401 56.400 -0.052 0.000 0.814 450 E CB -0.176 29.490 29.700 -0.057 0.000 0.752 450 E HN 0.618 nan 8.360 nan 0.000 0.466 451 K N 0.063 120.421 120.400 -0.071 0.000 2.031 451 K HA 0.035 4.355 4.320 0.001 0.000 0.205 451 K C 2.332 178.887 176.600 -0.075 0.000 1.049 451 K CA 0.993 57.237 56.287 -0.071 0.000 0.939 451 K CB -0.122 32.335 32.500 -0.071 0.000 0.717 451 K HN 0.051 nan 8.250 nan 0.000 0.438 452 M N 0.769 120.311 119.600 -0.097 0.000 2.117 452 M HA -0.145 4.335 4.480 0.001 0.000 0.262 452 M C 0.550 176.783 176.300 -0.112 0.000 1.065 452 M CA 0.755 55.982 55.300 -0.123 0.000 1.114 452 M CB -0.478 32.024 32.600 -0.164 0.000 1.361 452 M HN 0.159 nan 8.290 nan 0.000 0.408 453 N N 0.874 119.514 118.700 -0.100 0.000 2.686 453 N HA -0.133 4.608 4.740 0.001 0.000 0.261 453 N C 0.469 175.904 175.510 -0.125 0.000 1.001 453 N CA 0.630 53.635 53.050 -0.076 0.000 0.764 453 N CB -0.674 37.790 38.487 -0.038 0.000 0.898 453 N HN 0.383 nan 8.380 nan 0.000 0.544 454 V N -2.612 117.149 119.914 -0.255 0.000 2.546 454 V HA -0.154 3.967 4.120 0.001 0.000 0.254 454 V C 1.605 177.438 176.094 -0.435 0.000 1.076 454 V CA 1.731 63.790 62.300 -0.402 0.000 1.087 454 V CB -0.800 30.657 31.823 -0.610 0.000 0.674 454 V HN 0.254 nan 8.190 nan 0.000 0.470 455 F N 1.121 121.056 119.950 -0.026 0.000 2.645 455 F HA 0.459 4.987 4.527 0.001 0.000 0.300 455 F C 1.283 177.074 175.800 -0.015 0.000 1.115 455 F CA -0.619 57.369 58.000 -0.020 0.000 1.355 455 F CB -1.136 37.850 39.000 -0.023 0.000 1.026 455 F HN 0.253 nan 8.300 nan 0.000 0.536 456 N N 1.198 119.948 118.700 0.082 0.000 2.710 456 N HA -0.206 4.534 4.740 0.001 0.000 0.249 456 N C -0.202 175.349 175.510 0.069 0.000 1.059 456 N CA 0.893 53.977 53.050 0.057 0.000 0.720 456 N CB -1.043 37.475 38.487 0.050 0.000 0.983 456 N HN 0.158 nan 8.380 nan 0.000 0.544 457 T N 0.950 115.557 114.554 0.089 0.000 2.937 457 T HA -0.050 4.301 4.350 0.001 0.000 0.316 457 T C 0.589 175.312 174.700 0.037 0.000 1.079 457 T CA 0.049 62.191 62.100 0.069 0.000 1.131 457 T CB 0.865 69.779 68.868 0.077 0.000 1.000 457 T HN 0.230 nan 8.240 nan 0.000 0.549 458 E N 1.840 122.056 120.200 0.027 0.000 2.257 458 E HA 0.265 4.616 4.350 0.001 0.000 0.278 458 E C 0.427 177.035 176.600 0.013 0.000 1.049 458 E CA -0.393 56.017 56.400 0.016 0.000 0.876 458 E CB 0.320 30.027 29.700 0.012 0.000 1.035 458 E HN 0.414 nan 8.360 nan 0.000 0.419 459 V N 2.349 122.269 119.914 0.008 0.000 3.382 459 V HA 0.222 4.342 4.120 0.001 0.000 0.296 459 V C 1.695 177.790 176.094 0.000 0.000 1.529 459 V CA 0.449 62.752 62.300 0.005 0.000 1.048 459 V CB -0.210 31.615 31.823 0.004 0.000 0.878 459 V HN 0.638 nan 8.190 nan 0.000 0.442 460 R N 1.369 121.869 120.500 0.000 0.000 2.115 460 R HA 0.021 4.362 4.340 0.001 0.000 0.230 460 R C 1.198 177.495 176.300 -0.005 0.000 1.111 460 R CA 1.988 58.086 56.100 -0.003 0.000 0.976 460 R CB -0.517 29.782 30.300 -0.001 0.000 0.870 460 R HN 0.497 nan 8.270 nan 0.000 0.445 461 N N 0.981 119.679 118.700 -0.003 0.000 2.421 461 N HA 0.104 4.845 4.740 0.001 0.000 0.201 461 N C -0.254 175.251 175.510 -0.009 0.000 1.198 461 N CA 0.353 53.400 53.050 -0.005 0.000 0.838 461 N CB 0.254 38.739 38.487 -0.003 0.000 1.011 461 N HN 0.271 nan 8.380 nan 0.000 0.463 462 L N 0.140 121.356 121.223 -0.011 0.000 2.358 462 L HA 0.351 4.691 4.340 0.001 0.000 0.268 462 L C 0.893 177.743 176.870 -0.034 0.000 1.032 462 L CA -0.798 54.033 54.840 -0.015 0.000 0.805 462 L CB 1.225 43.280 42.059 -0.006 0.000 1.253 462 L HN -0.014 nan 8.230 nan 0.000 0.452 463 S N -0.230 115.442 115.700 -0.046 0.000 2.652 463 S HA 0.276 4.746 4.470 0.001 0.000 0.270 463 S C 0.765 175.277 174.600 -0.146 0.000 1.243 463 S CA -0.850 57.295 58.200 -0.092 0.000 0.999 463 S CB 1.526 64.681 63.200 -0.074 0.000 0.973 463 S HN 0.490 nan 8.310 nan 0.000 0.544 464 K N 0.734 120.937 120.400 -0.328 0.000 2.074 464 K HA -0.121 4.199 4.320 0.001 0.000 0.209 464 K C 2.206 178.570 176.600 -0.393 0.000 1.048 464 K CA 1.647 57.579 56.287 -0.592 0.000 0.926 464 K CB -1.285 30.197 32.500 -1.697 0.000 0.713 464 K HN 0.700 nan 8.250 nan 0.000 0.444 465 V N -0.337 119.429 119.914 -0.247 0.000 2.295 465 V HA -0.213 3.908 4.120 0.001 0.000 0.246 465 V C 1.990 178.111 176.094 0.045 0.000 1.049 465 V CA 1.663 63.967 62.300 0.007 0.000 1.024 465 V CB -0.812 31.046 31.823 0.058 0.000 0.648 465 V HN 0.235 nan 8.190 nan 0.000 0.447 466 E N 0.568 120.776 120.200 0.013 0.000 2.107 466 E HA -0.165 4.185 4.350 0.001 0.000 0.191 466 E C 2.329 178.958 176.600 0.048 0.000 0.982 466 E CA 1.008 57.425 56.400 0.029 0.000 0.809 466 E CB -0.261 29.445 29.700 0.010 0.000 0.756 466 E HN 0.461 nan 8.360 nan 0.000 0.459 467 R N 1.536 122.067 120.500 0.052 0.000 2.159 467 R HA -0.090 4.251 4.340 0.001 0.000 0.237 467 R C 1.910 178.277 176.300 0.112 0.000 1.131 467 R CA 1.359 57.501 56.100 0.070 0.000 0.982 467 R CB -0.553 29.793 30.300 0.076 0.000 0.868 467 R HN 0.161 nan 8.270 nan 0.000 0.453 468 A N -0.168 122.777 122.820 0.208 0.000 2.070 468 A HA -0.074 4.247 4.320 0.001 0.000 0.220 468 A C 1.074 178.722 177.584 0.106 0.000 1.159 468 A CA 1.627 53.804 52.037 0.234 0.000 0.656 468 A CB -0.109 19.106 19.000 0.357 0.000 0.800 468 A HN 0.443 nan 8.150 nan 0.000 0.453 469 N N -2.029 116.716 118.700 0.075 0.000 2.167 469 N HA 0.276 5.016 4.740 0.001 0.000 0.234 469 N C 1.212 176.742 175.510 0.034 0.000 1.312 469 N CA 0.656 53.733 53.050 0.045 0.000 0.861 469 N CB 0.337 38.850 38.487 0.043 0.000 1.217 469 N HN 0.298 nan 8.380 nan 0.000 0.504 470 A N 0.626 123.466 122.820 0.034 0.000 1.869 470 A HA -0.220 4.100 4.320 0.001 0.000 0.218 470 A C 2.299 179.904 177.584 0.036 0.000 1.203 470 A CA 1.864 53.918 52.037 0.030 0.000 0.638 470 A CB -0.974 18.042 19.000 0.026 0.000 0.831 470 A HN 0.417 nan 8.150 nan 0.000 0.450 471 C N -0.590 118.730 119.300 0.034 0.000 2.453 471 C HA -0.055 4.406 4.460 0.001 0.000 0.277 471 C C 2.660 177.683 174.990 0.055 0.000 1.262 471 C CA 0.783 59.832 59.018 0.052 0.000 1.718 471 C CB -1.692 26.060 27.740 0.021 0.000 2.031 471 C HN 0.636 nan 8.230 nan 0.000 0.480 472 N N 0.983 119.699 118.700 0.026 0.000 2.069 472 N HA -0.161 4.579 4.740 0.001 0.000 0.191 472 N C 2.006 177.532 175.510 0.027 0.000 1.031 472 N CA 1.761 54.821 53.050 0.017 0.000 0.852 472 N CB -0.426 38.064 38.487 0.005 0.000 1.018 472 N HN 0.505 nan 8.380 nan 0.000 0.423 473 S N 0.634 116.350 115.700 0.027 0.000 2.370 473 S HA -0.088 4.383 4.470 0.001 0.000 0.226 473 S C 2.147 176.758 174.600 0.019 0.000 1.033 473 S CA 0.968 59.181 58.200 0.021 0.000 1.011 473 S CB -0.260 62.952 63.200 0.019 0.000 0.852 473 S HN 0.093 nan 8.310 nan 0.000 0.457 474 V N 1.737 121.671 119.914 0.034 0.000 2.407 474 V HA -0.140 3.980 4.120 0.001 0.000 0.248 474 V C 2.179 178.278 176.094 0.010 0.000 1.055 474 V CA 1.899 64.208 62.300 0.015 0.000 1.049 474 V CB -0.546 31.316 31.823 0.064 0.000 0.662 474 V HN 0.537 nan 8.190 nan 0.000 0.455 475 I N -0.801 119.820 120.570 0.085 0.000 2.500 475 I HA -0.128 4.043 4.170 0.001 0.000 0.252 475 I C 2.526 178.660 176.117 0.028 0.000 1.142 475 I CA 1.013 62.371 61.300 0.096 0.000 1.451 475 I CB -0.359 37.707 38.000 0.109 0.000 1.093 475 I HN 0.179 nan 8.210 nan 0.000 0.430 476 R N 0.549 121.059 120.500 0.017 0.000 2.285 476 R HA -0.117 4.223 4.340 0.001 0.000 0.213 476 R C 1.831 178.134 176.300 0.005 0.000 1.068 476 R CA 0.801 56.908 56.100 0.012 0.000 1.004 476 R CB -0.102 30.206 30.300 0.012 0.000 0.873 476 R HN 0.520 nan 8.270 nan 0.000 0.467 477 Q N -0.097 119.696 119.800 -0.010 0.000 2.398 477 Q HA 0.083 4.424 4.340 0.001 0.000 0.204 477 Q C 1.839 177.820 176.000 -0.032 0.000 0.932 477 Q CA 0.393 56.182 55.803 -0.023 0.000 0.916 477 Q CB 0.377 29.091 28.738 -0.040 0.000 1.024 477 Q HN 0.315 nan 8.270 nan 0.000 0.504 478 L N -0.502 120.701 121.223 -0.034 0.000 2.131 478 L HA 0.045 4.385 4.340 0.001 0.000 0.206 478 L C 0.850 177.724 176.870 0.007 0.000 1.087 478 L CA 0.592 55.413 54.840 -0.032 0.000 0.767 478 L CB -0.013 42.028 42.059 -0.030 0.000 0.917 478 L HN 0.243 nan 8.230 nan 0.000 0.441 479 M N -0.422 119.197 119.600 0.030 0.000 2.591 479 M HA 0.387 4.868 4.480 0.001 0.000 0.306 479 M C -0.714 175.611 176.300 0.041 0.000 1.190 479 M CA -0.580 54.752 55.300 0.053 0.000 0.889 479 M CB 2.201 34.876 32.600 0.125 0.000 1.728 479 M HN -0.240 nan 8.290 nan 0.000 0.458 480 K N 2.293 122.713 120.400 0.034 0.000 2.235 480 K HA 0.327 4.647 4.320 0.001 0.000 0.266 480 K C -0.964 175.655 176.600 0.033 0.000 0.980 480 K CA -0.260 56.045 56.287 0.031 0.000 0.849 480 K CB 1.177 33.694 32.500 0.028 0.000 1.098 480 K HN 0.641 nan 8.250 nan 0.000 0.445 481 K N 4.473 124.894 120.400 0.035 0.000 2.284 481 K HA 0.052 4.372 4.320 0.001 0.000 0.287 481 K C 0.585 177.205 176.600 0.034 0.000 1.081 481 K CA -0.146 56.155 56.287 0.025 0.000 0.910 481 K CB 0.703 33.223 32.500 0.033 0.000 1.088 481 K HN 0.463 nan 8.250 nan 0.000 0.478 482 E N 3.425 123.637 120.200 0.020 0.000 2.033 482 E HA -0.018 4.333 4.350 0.001 0.000 0.189 482 E C 0.245 176.962 176.600 0.195 0.000 0.979 482 E CA 1.043 57.502 56.400 0.098 0.000 0.802 482 E CB -0.029 29.754 29.700 0.138 0.000 0.763 482 E HN 0.563 nan 8.360 nan 0.000 0.449 483 F N -1.913 118.049 119.950 0.019 0.000 2.773 483 F HA 0.539 5.067 4.527 0.001 0.000 0.314 483 F C -0.705 175.094 175.800 -0.002 0.000 1.160 483 F CA -1.253 56.734 58.000 -0.022 0.000 0.920 483 F CB 1.509 40.451 39.000 -0.097 0.000 1.323 483 F HN -0.246 nan 8.300 nan 0.000 0.457 484 T N 1.108 115.781 114.554 0.199 0.000 2.893 484 T HA 0.654 5.004 4.350 0.001 0.000 0.293 484 T C -1.423 173.326 174.700 0.082 0.000 1.027 484 T CA -0.792 61.355 62.100 0.078 0.000 0.988 484 T CB 1.390 70.300 68.868 0.070 0.000 1.043 484 T HN 0.858 nan 8.240 nan 0.000 0.461 485 L N 4.255 125.456 121.223 -0.037 0.000 2.315 485 L HA 0.415 4.755 4.340 0.001 0.000 0.278 485 L C 0.625 177.546 176.870 0.085 0.000 1.088 485 L CA -1.006 53.670 54.840 -0.272 0.000 0.899 485 L CB 0.433 42.126 42.059 -0.609 0.000 1.277 485 L HN 0.643 nan 8.230 nan 0.000 0.431 486 E N 1.677 122.017 120.200 0.234 0.000 2.459 486 E HA -0.069 4.281 4.350 0.001 0.000 0.264 486 E C -0.217 176.601 176.600 0.363 0.000 1.055 486 E CA 0.064 56.637 56.400 0.289 0.000 0.957 486 E CB 0.804 30.667 29.700 0.272 0.000 0.952 486 E HN 0.250 nan 8.360 nan 0.000 0.448 487 F N 1.725 121.779 119.950 0.173 0.000 2.595 487 F HA -0.025 4.503 4.527 0.001 0.000 0.359 487 F C 0.482 176.365 175.800 0.137 0.000 1.147 487 F CA 0.291 58.381 58.000 0.150 0.000 1.341 487 F CB 0.504 39.567 39.000 0.105 0.000 1.104 487 F HN 0.265 nan 8.300 nan 0.000 0.603 488 S N 4.783 120.131 115.700 -0.586 0.000 2.536 488 S HA 0.473 4.944 4.470 0.001 0.000 0.271 488 S C 0.281 174.526 174.600 -0.592 0.000 1.134 488 S CA -1.050 56.953 58.200 -0.328 0.000 0.897 488 S CB 2.033 65.116 63.200 -0.195 0.000 1.094 488 S HN 0.768 nan 8.310 nan 0.000 0.473 489 R N 1.604 122.021 120.500 -0.139 0.000 2.103 489 R HA -0.162 4.178 4.340 0.001 0.000 0.242 489 R C 1.526 177.769 176.300 -0.095 0.000 1.142 489 R CA 2.546 58.637 56.100 -0.015 0.000 0.960 489 R CB -0.888 29.460 30.300 0.080 0.000 0.858 489 R HN 0.915 nan 8.270 nan 0.000 0.439 490 D N 0.032 120.362 120.400 -0.116 0.000 2.084 490 D HA -0.232 4.409 4.640 0.001 0.000 0.194 490 D C 1.963 178.198 176.300 -0.109 0.000 0.990 490 D CA 1.053 54.998 54.000 -0.092 0.000 0.826 490 D CB -0.258 40.487 40.800 -0.091 0.000 0.971 490 D HN 0.172 nan 8.370 nan 0.000 0.453 491 R N 0.836 121.235 120.500 -0.168 0.000 2.073 491 R HA -0.069 4.271 4.340 0.001 0.000 0.229 491 R C 0.466 176.665 176.300 -0.168 0.000 1.120 491 R CA 1.020 57.033 56.100 -0.144 0.000 0.967 491 R CB -0.078 30.142 30.300 -0.134 0.000 0.862 491 R HN 0.028 nan 8.270 nan 0.000 0.436 492 K N 0.549 120.722 120.400 -0.377 0.000 3.125 492 K HA -0.162 4.159 4.320 0.001 0.000 0.268 492 K C -1.362 175.225 176.600 -0.021 0.000 1.078 492 K CA 0.689 56.821 56.287 -0.258 0.000 0.775 492 K CB -1.282 31.253 32.500 0.059 0.000 1.253 492 K HN 0.577 nan 8.250 nan 0.000 0.486 493 S N -1.071 114.515 115.700 -0.189 0.000 2.656 493 S HA 0.808 5.278 4.470 0.001 0.000 0.273 493 S C -0.790 173.890 174.600 0.134 0.000 1.168 493 S CA -1.027 57.235 58.200 0.103 0.000 0.817 493 S CB 2.605 65.851 63.200 0.075 0.000 1.146 493 S HN 0.281 nan 8.310 nan 0.000 0.475 494 M N 1.652 121.376 119.600 0.207 0.000 2.520 494 M HA 0.670 5.150 4.480 0.001 0.000 0.283 494 M C -1.824 174.560 176.300 0.141 0.000 1.237 494 M CA -0.223 55.202 55.300 0.209 0.000 0.885 494 M CB 2.009 34.777 32.600 0.280 0.000 1.727 494 M HN 1.358 nan 8.290 nan 0.000 0.468 495 S N 1.894 117.657 115.700 0.105 0.000 2.596 495 S HA 0.843 5.313 4.470 0.001 0.000 0.270 495 S C -1.290 173.322 174.600 0.020 0.000 1.155 495 S CA -0.541 57.698 58.200 0.065 0.000 0.827 495 S CB 1.661 64.889 63.200 0.047 0.000 1.130 495 S HN 1.131 nan 8.310 nan 0.000 0.467 496 V N -0.558 119.353 119.914 -0.005 0.000 2.823 496 V HA 0.775 4.895 4.120 0.001 0.000 0.312 496 V C -1.432 174.540 176.094 -0.204 0.000 1.072 496 V CA -0.948 61.310 62.300 -0.069 0.000 0.937 496 V CB 1.339 33.172 31.823 0.017 0.000 1.013 496 V HN 1.025 nan 8.190 nan 0.000 0.430 497 Y N 2.611 122.571 120.300 -0.567 0.000 2.331 497 Y HA 0.758 5.308 4.550 0.001 0.000 0.338 497 Y C -0.103 175.490 175.900 -0.512 0.000 0.976 497 Y CA -0.587 57.077 58.100 -0.727 0.000 1.137 497 Y CB 1.124 38.678 38.460 -1.509 0.000 1.172 497 Y HN 1.023 nan 8.280 nan 0.000 0.478 498 C N 3.135 122.173 119.300 -0.437 0.000 2.667 498 C HA 0.857 5.317 4.460 0.001 0.000 0.323 498 C C -0.463 174.404 174.990 -0.205 0.000 1.214 498 C CA -0.896 58.002 59.018 -0.201 0.000 1.721 498 C CB 1.261 28.956 27.740 -0.074 0.000 2.275 498 C HN 0.883 nan 8.230 nan 0.000 0.491 499 S N 0.931 116.597 115.700 -0.057 0.000 2.568 499 S HA 0.758 5.228 4.470 0.001 0.000 0.293 499 S C -3.186 171.406 174.600 -0.013 0.000 1.089 499 S CA -1.198 56.981 58.200 -0.034 0.000 0.945 499 S CB 1.552 64.770 63.200 0.030 0.000 1.077 499 S HN 0.660 nan 8.310 nan 0.000 0.485 500 P HA 0.272 nan 4.420 nan 0.000 0.268 500 P C 0.131 177.432 177.300 0.003 0.000 1.204 500 P CA -0.186 62.914 63.100 -0.001 0.000 0.768 500 P CB 1.213 32.909 31.700 -0.007 0.000 0.842 501 A N 4.467 127.288 122.820 0.003 0.000 2.010 501 A HA 0.131 4.451 4.320 0.001 0.000 0.210 501 A C 0.903 178.481 177.584 -0.009 0.000 1.479 501 A CA 0.593 52.629 52.037 -0.001 0.000 0.748 501 A CB -0.411 18.589 19.000 0.001 0.000 1.125 501 A HN 0.360 nan 8.150 nan 0.000 0.522 502 K N 1.503 121.892 120.400 -0.019 0.000 2.286 502 K HA 0.120 4.440 4.320 0.001 0.000 0.256 502 K C 0.852 177.439 176.600 -0.021 0.000 0.999 502 K CA 0.732 57.003 56.287 -0.027 0.000 0.908 502 K CB 0.320 32.793 32.500 -0.046 0.000 0.981 502 K HN 0.459 nan 8.250 nan 0.000 0.500 503 S N -1.348 114.339 115.700 -0.022 0.000 2.679 503 S HA -0.013 4.458 4.470 0.001 0.000 0.233 503 S C 1.172 175.760 174.600 -0.020 0.000 0.951 503 S CA 0.216 58.406 58.200 -0.017 0.000 0.973 503 S CB -0.244 62.947 63.200 -0.015 0.000 0.778 503 S HN 0.521 nan 8.310 nan 0.000 0.477 504 S N 1.612 117.296 115.700 -0.026 0.000 2.475 504 S HA 0.257 4.728 4.470 0.001 0.000 0.224 504 S C 1.145 175.734 174.600 -0.019 0.000 1.042 504 S CA -0.484 57.699 58.200 -0.028 0.000 0.935 504 S CB -0.181 62.992 63.200 -0.045 0.000 0.801 504 S HN 0.502 nan 8.310 nan 0.000 0.509 505 R N 0.373 120.863 120.500 -0.016 0.000 2.688 505 R HA 0.463 4.804 4.340 0.001 0.000 0.396 505 R C 0.610 176.906 176.300 -0.006 0.000 1.081 505 R CA 0.359 56.455 56.100 -0.007 0.000 1.093 505 R CB 0.568 30.869 30.300 0.000 0.000 1.338 505 R HN 0.384 nan 8.270 nan 0.000 0.613 506 A N 0.455 123.270 122.820 -0.009 0.000 2.239 506 A HA 0.081 4.402 4.320 0.001 0.000 0.209 506 A C 1.732 179.311 177.584 -0.008 0.000 1.171 506 A CA 1.227 53.259 52.037 -0.008 0.000 0.768 506 A CB 0.050 19.045 19.000 -0.007 0.000 0.790 506 A HN 0.384 nan 8.150 nan 0.000 0.478 507 A N -0.884 121.930 122.820 -0.008 0.000 2.308 507 A HA 0.402 4.722 4.320 0.001 0.000 0.217 507 A C 1.490 179.066 177.584 -0.014 0.000 1.216 507 A CA 0.558 52.589 52.037 -0.010 0.000 0.864 507 A CB -0.114 18.882 19.000 -0.008 0.000 0.902 507 A HN 0.262 nan 8.150 nan 0.000 0.499 508 V N -0.421 119.485 119.914 -0.014 0.000 2.951 508 V HA 0.238 4.358 4.120 0.001 0.000 0.255 508 V C 1.549 177.620 176.094 -0.039 0.000 1.088 508 V CA 0.837 63.126 62.300 -0.019 0.000 1.109 508 V CB -1.728 30.092 31.823 -0.005 0.000 0.724 508 V HN 0.999 nan 8.190 nan 0.000 0.471 509 G N 0.847 109.623 108.800 -0.040 0.000 2.860 509 G HA2 -0.259 3.701 3.960 0.001 0.000 0.553 509 G HA3 -0.259 3.701 3.960 0.001 0.000 0.553 509 G C -0.393 174.445 174.900 -0.104 0.000 1.439 509 G CA -0.145 44.921 45.100 -0.056 0.000 0.879 509 G HN 0.550 nan 8.290 nan 0.000 0.545 510 N N 1.002 119.623 118.700 -0.131 0.000 2.412 510 N HA 0.333 5.073 4.740 0.001 0.000 0.254 510 N C 0.172 175.432 175.510 -0.417 0.000 1.232 510 N CA 0.198 53.084 53.050 -0.272 0.000 0.880 510 N CB 0.409 38.744 38.487 -0.252 0.000 1.076 510 N HN 0.412 nan 8.380 nan 0.000 0.458 511 K N 1.908 121.953 120.400 -0.593 0.000 2.400 511 K HA 0.498 4.819 4.320 0.001 0.000 0.246 511 K C -0.768 175.228 176.600 -1.007 0.000 0.995 511 K CA -0.550 55.306 56.287 -0.720 0.000 0.840 511 K CB 2.178 34.242 32.500 -0.727 0.000 1.293 511 K HN 0.468 nan 8.250 nan 0.000 0.445 512 M N 1.877 120.943 119.600 -0.889 0.000 2.197 512 M HA 0.388 4.869 4.480 0.001 0.000 0.301 512 M C -1.383 174.546 176.300 -0.619 0.000 0.987 512 M CA -0.701 54.178 55.300 -0.700 0.000 0.921 512 M CB 1.038 33.418 32.600 -0.366 0.000 1.569 512 M HN 0.321 nan 8.290 nan 0.000 0.431 513 F N 3.160 123.040 119.950 -0.117 0.000 2.404 513 F HA 0.619 5.146 4.527 0.001 0.000 0.354 513 F C -0.071 175.703 175.800 -0.042 0.000 1.122 513 F CA -0.931 57.023 58.000 -0.076 0.000 1.080 513 F CB 1.047 40.001 39.000 -0.076 0.000 1.131 513 F HN 0.131 nan 8.300 nan 0.000 0.471 514 V N 3.164 123.169 119.914 0.151 0.000 2.815 514 V HA 0.719 4.839 4.120 0.001 0.000 0.314 514 V C -0.577 175.569 176.094 0.087 0.000 1.064 514 V CA -1.195 61.166 62.300 0.102 0.000 0.952 514 V CB 2.155 34.028 31.823 0.083 0.000 1.020 514 V HN 0.763 nan 8.190 nan 0.000 0.439 515 K N 1.426 121.884 120.400 0.096 0.000 2.546 515 K HA 0.910 5.230 4.320 0.001 0.000 0.264 515 K C -0.546 176.131 176.600 0.130 0.000 0.937 515 K CA -0.488 55.850 56.287 0.085 0.000 0.833 515 K CB 2.566 35.107 32.500 0.068 0.000 1.378 515 K HN 1.199 nan 8.250 nan 0.000 0.432 516 G N 0.219 109.095 108.800 0.127 0.000 2.320 516 G HA2 0.484 4.444 3.960 0.001 0.000 0.296 516 G HA3 0.484 4.444 3.960 0.001 0.000 0.296 516 G C -1.527 173.462 174.900 0.148 0.000 1.306 516 G CA -0.583 44.622 45.100 0.174 0.000 0.836 516 G HN 0.773 nan 8.290 nan 0.000 0.517 517 A N 0.584 123.505 122.820 0.168 0.000 2.546 517 A HA 0.552 4.872 4.320 0.001 0.000 0.243 517 A C -0.584 177.066 177.584 0.110 0.000 1.063 517 A CA 0.302 52.420 52.037 0.134 0.000 0.757 517 A CB -0.103 18.980 19.000 0.138 0.000 0.991 517 A HN 0.388 nan 8.150 nan 0.000 0.503 518 P HA -0.255 nan 4.420 nan 0.000 0.216 518 P C 1.385 178.731 177.300 0.077 0.000 1.167 518 P CA 1.737 64.895 63.100 0.097 0.000 0.933 518 P CB 0.140 31.891 31.700 0.084 0.000 0.793 519 E N -0.794 119.440 120.200 0.056 0.000 2.019 519 E HA -0.201 4.150 4.350 0.001 0.000 0.208 519 E C 2.297 178.921 176.600 0.039 0.000 1.030 519 E CA 2.034 58.455 56.400 0.036 0.000 0.856 519 E CB -1.566 28.152 29.700 0.030 0.000 0.781 519 E HN 0.248 nan 8.360 nan 0.000 0.471 520 G N 1.146 109.973 108.800 0.044 0.000 2.529 520 G HA2 -0.297 3.663 3.960 0.001 0.000 0.219 520 G HA3 -0.297 3.663 3.960 0.001 0.000 0.219 520 G C 1.893 176.825 174.900 0.054 0.000 1.177 520 G CA 1.783 46.906 45.100 0.040 0.000 0.773 520 G HN 0.216 nan 8.290 nan 0.000 0.573 521 V N 1.158 121.119 119.914 0.078 0.000 2.287 521 V HA -0.197 3.923 4.120 0.001 0.000 0.248 521 V C 2.820 178.983 176.094 0.116 0.000 1.053 521 V CA 1.854 64.216 62.300 0.102 0.000 1.027 521 V CB -0.456 31.444 31.823 0.128 0.000 0.646 521 V HN 0.425 nan 8.190 nan 0.000 0.447 522 I N 0.137 120.773 120.570 0.110 0.000 2.226 522 I HA -0.229 3.941 4.170 0.001 0.000 0.245 522 I C 2.164 178.299 176.117 0.030 0.000 1.100 522 I CA 1.576 62.922 61.300 0.076 0.000 1.374 522 I CB -0.552 37.446 38.000 -0.003 0.000 1.057 522 I HN 0.309 nan 8.210 nan 0.000 0.413 523 D N 0.885 121.297 120.400 0.019 0.000 2.309 523 D HA -0.121 4.519 4.640 0.001 0.000 0.212 523 D C 1.701 178.006 176.300 0.008 0.000 0.968 523 D CA 0.937 54.938 54.000 0.002 0.000 0.882 523 D CB -0.144 40.657 40.800 0.001 0.000 0.918 523 D HN 0.406 nan 8.370 nan 0.000 0.503 524 R N -0.550 119.969 120.500 0.031 0.000 2.427 524 R HA 0.208 4.548 4.340 0.001 0.000 0.262 524 R C -0.167 176.161 176.300 0.046 0.000 0.943 524 R CA -0.160 55.961 56.100 0.034 0.000 1.081 524 R CB 0.405 30.733 30.300 0.047 0.000 1.166 524 R HN 0.019 nan 8.270 nan 0.000 0.534 525 C N 1.447 120.775 119.300 0.047 0.000 2.273 525 C HA 0.305 4.766 4.460 0.001 0.000 0.328 525 C C 1.240 176.209 174.990 -0.034 0.000 1.275 525 C CA -0.748 58.308 59.018 0.064 0.000 1.704 525 C CB 0.667 28.495 27.740 0.146 0.000 2.326 525 C HN 0.464 nan 8.230 nan 0.000 0.517 526 N N 0.866 119.486 118.700 -0.133 0.000 2.356 526 N HA 0.115 4.855 4.740 0.001 0.000 0.178 526 N C -0.495 174.644 175.510 -0.618 0.000 1.075 526 N CA 0.713 53.514 53.050 -0.415 0.000 0.889 526 N CB 0.325 38.433 38.487 -0.631 0.000 0.999 526 N HN 0.683 nan 8.380 nan 0.000 0.464 527 Y N -0.881 119.461 120.300 0.069 0.000 2.633 527 Y HA 0.615 5.166 4.550 0.001 0.000 0.339 527 Y C -0.055 175.919 175.900 0.123 0.000 1.045 527 Y CA -1.001 57.145 58.100 0.077 0.000 1.098 527 Y CB 1.552 40.052 38.460 0.067 0.000 1.296 527 Y HN -0.438 nan 8.280 nan 0.000 0.494 528 V N 1.480 121.577 119.914 0.305 0.000 2.686 528 V HA 0.466 4.587 4.120 0.001 0.000 0.306 528 V C -0.815 175.424 176.094 0.241 0.000 1.065 528 V CA -1.052 61.423 62.300 0.292 0.000 0.894 528 V CB 2.078 34.029 31.823 0.212 0.000 1.004 528 V HN 0.682 nan 8.190 nan 0.000 0.424 529 R N 3.336 123.971 120.500 0.225 0.000 2.357 529 R HA 0.677 5.017 4.340 0.001 0.000 0.296 529 R C -1.320 175.073 176.300 0.154 0.000 1.052 529 R CA -0.165 56.025 56.100 0.149 0.000 0.988 529 R CB 1.395 31.752 30.300 0.095 0.000 1.025 529 R HN 0.491 nan 8.270 nan 0.000 0.469 530 V N 6.193 126.182 119.914 0.125 0.000 2.305 530 V HA 0.424 4.544 4.120 0.001 0.000 0.275 530 V C 1.002 177.160 176.094 0.106 0.000 1.020 530 V CA 0.286 62.661 62.300 0.125 0.000 0.811 530 V CB 0.428 32.318 31.823 0.112 0.000 1.031 530 V HN 1.148 nan 8.190 nan 0.000 0.439 531 G N 5.346 114.217 108.800 0.118 0.000 3.274 531 G HA2 -0.372 3.588 3.960 0.001 0.000 0.313 531 G HA3 -0.372 3.588 3.960 0.001 0.000 0.313 531 G C 0.940 175.884 174.900 0.072 0.000 1.295 531 G CA 1.338 46.499 45.100 0.101 0.000 1.004 531 G HN 1.221 nan 8.290 nan 0.000 0.614 532 T N -2.810 111.778 114.554 0.057 0.000 2.975 532 T HA 0.519 4.869 4.350 0.001 0.000 0.261 532 T C 0.978 175.699 174.700 0.035 0.000 0.984 532 T CA 1.554 63.679 62.100 0.042 0.000 0.911 532 T CB 0.740 69.628 68.868 0.033 0.000 1.127 532 T HN 0.983 nan 8.240 nan 0.000 0.514 533 T N 1.495 116.074 114.554 0.042 0.000 2.893 533 T HA 0.597 4.947 4.350 0.001 0.000 0.279 533 T C -1.066 173.661 174.700 0.044 0.000 0.991 533 T CA -0.947 61.172 62.100 0.033 0.000 0.950 533 T CB 1.276 70.165 68.868 0.034 0.000 1.223 533 T HN 0.383 nan 8.240 nan 0.000 0.585 534 R N 1.075 121.596 120.500 0.036 0.000 2.564 534 R HA 0.602 4.943 4.340 0.001 0.000 0.284 534 R C -1.641 174.718 176.300 0.099 0.000 1.031 534 R CA -0.650 55.488 56.100 0.063 0.000 0.904 534 R CB 1.388 31.687 30.300 -0.001 0.000 1.199 534 R HN 0.546 nan 8.270 nan 0.000 0.443 535 V N 0.842 120.847 119.914 0.151 0.000 2.815 535 V HA 0.720 4.840 4.120 0.001 0.000 0.314 535 V C -2.469 173.759 176.094 0.222 0.000 1.064 535 V CA -2.477 59.918 62.300 0.159 0.000 0.952 535 V CB 1.657 33.547 31.823 0.112 0.000 1.020 535 V HN 0.700 nan 8.190 nan 0.000 0.439 536 P HA 0.141 nan 4.420 nan 0.000 0.269 536 P C -0.563 176.757 177.300 0.032 0.000 1.215 536 P CA -0.274 62.893 63.100 0.112 0.000 0.780 536 P CB 0.584 32.319 31.700 0.059 0.000 0.898 537 M N 3.090 122.660 119.600 -0.051 0.000 2.143 537 M HA 0.215 4.696 4.480 0.001 0.000 0.348 537 M C -0.114 176.153 176.300 -0.056 0.000 1.375 537 M CA 0.538 55.809 55.300 -0.048 0.000 1.124 537 M CB -0.377 32.179 32.600 -0.073 0.000 1.669 537 M HN 0.437 nan 8.290 nan 0.000 0.469 538 T N 1.496 116.024 114.554 -0.044 0.000 2.940 538 T HA 0.705 5.055 4.350 0.001 0.000 0.288 538 T C 1.020 175.688 174.700 -0.055 0.000 1.045 538 T CA -0.527 61.548 62.100 -0.041 0.000 1.018 538 T CB 1.286 70.140 68.868 -0.023 0.000 1.151 538 T HN 0.661 nan 8.240 nan 0.000 0.529 539 G N 0.894 109.666 108.800 -0.048 0.000 2.491 539 G HA2 -0.080 3.881 3.960 0.001 0.000 0.218 539 G HA3 -0.080 3.881 3.960 0.001 0.000 0.218 539 G C -0.928 173.933 174.900 -0.064 0.000 1.180 539 G CA 0.857 45.925 45.100 -0.053 0.000 0.774 539 G HN 0.648 nan 8.290 nan 0.000 0.562 540 P HA -0.074 nan 4.420 nan 0.000 0.216 540 P C 2.137 179.375 177.300 -0.103 0.000 1.153 540 P CA 1.050 64.109 63.100 -0.068 0.000 0.858 540 P CB -0.109 31.566 31.700 -0.043 0.000 0.789 541 V N 0.138 119.993 119.914 -0.098 0.000 2.307 541 V HA -0.245 3.875 4.120 0.001 0.000 0.245 541 V C 2.502 178.499 176.094 -0.162 0.000 1.045 541 V CA 1.904 64.129 62.300 -0.125 0.000 1.024 541 V CB -1.019 30.752 31.823 -0.086 0.000 0.651 541 V HN 0.120 nan 8.190 nan 0.000 0.449 542 K N 0.081 120.394 120.400 -0.144 0.000 2.057 542 K HA -0.231 4.089 4.320 0.001 0.000 0.207 542 K C 2.130 178.638 176.600 -0.154 0.000 1.049 542 K CA 1.919 58.108 56.287 -0.164 0.000 0.931 542 K CB -0.150 32.277 32.500 -0.120 0.000 0.714 542 K HN 0.559 nan 8.250 nan 0.000 0.440 543 E N 0.242 120.367 120.200 -0.125 0.000 2.085 543 E HA -0.194 4.156 4.350 0.001 0.000 0.194 543 E C 2.015 178.528 176.600 -0.145 0.000 0.994 543 E CA 0.858 57.189 56.400 -0.115 0.000 0.801 543 E CB 0.065 29.709 29.700 -0.093 0.000 0.743 543 E HN 0.105 nan 8.360 nan 0.000 0.453 544 K N 1.069 121.364 120.400 -0.175 0.000 2.097 544 K HA -0.096 4.224 4.320 0.001 0.000 0.205 544 K C 1.962 178.403 176.600 -0.265 0.000 1.050 544 K CA 0.896 57.049 56.287 -0.224 0.000 0.938 544 K CB -0.204 32.142 32.500 -0.256 0.000 0.718 544 K HN 0.160 nan 8.250 nan 0.000 0.442 545 I N 0.854 121.278 120.570 -0.243 0.000 2.133 545 I HA -0.304 3.867 4.170 0.001 0.000 0.238 545 I C 2.327 178.366 176.117 -0.131 0.000 1.074 545 I CA 1.021 62.200 61.300 -0.202 0.000 1.342 545 I CB -0.332 37.466 38.000 -0.337 0.000 1.053 545 I HN 0.032 nan 8.210 nan 0.000 0.404 546 L N 0.657 121.796 121.223 -0.140 0.000 2.079 546 L HA -0.218 4.123 4.340 0.001 0.000 0.210 546 L C 2.875 179.684 176.870 -0.101 0.000 1.081 546 L CA 1.750 56.534 54.840 -0.094 0.000 0.752 546 L CB -0.788 41.221 42.059 -0.084 0.000 0.896 546 L HN 0.402 nan 8.230 nan 0.000 0.433 547 S N -0.696 114.925 115.700 -0.132 0.000 2.368 547 S HA -0.146 4.324 4.470 0.001 0.000 0.225 547 S C 1.882 176.378 174.600 -0.174 0.000 1.030 547 S CA 1.320 59.441 58.200 -0.131 0.000 0.999 547 S CB -0.824 62.294 63.200 -0.137 0.000 0.844 547 S HN 0.187 nan 8.310 nan 0.000 0.459 548 V N 1.888 121.635 119.914 -0.278 0.000 2.548 548 V HA -0.046 4.074 4.120 0.001 0.000 0.249 548 V C 2.511 178.341 176.094 -0.440 0.000 1.055 548 V CA 1.013 63.043 62.300 -0.451 0.000 1.065 548 V CB -0.705 30.655 31.823 -0.771 0.000 0.681 548 V HN 0.432 nan 8.190 nan 0.000 0.462 549 I N 0.464 120.913 120.570 -0.201 0.000 2.179 549 I HA -0.222 3.948 4.170 0.001 0.000 0.242 549 I C 2.496 178.610 176.117 -0.005 0.000 1.088 549 I CA 1.757 63.017 61.300 -0.067 0.000 1.357 549 I CB -1.018 36.986 38.000 0.007 0.000 1.051 549 I HN 0.313 nan 8.210 nan 0.000 0.409 550 K N 1.274 121.659 120.400 -0.025 0.000 2.103 550 K HA -0.208 4.112 4.320 0.001 0.000 0.207 550 K C 2.012 178.644 176.600 0.053 0.000 1.048 550 K CA 1.528 57.823 56.287 0.014 0.000 0.930 550 K CB -0.216 32.277 32.500 -0.012 0.000 0.716 550 K HN 0.284 nan 8.250 nan 0.000 0.444 551 E N -1.317 118.902 120.200 0.031 0.000 2.077 551 E HA -0.182 4.169 4.350 0.001 0.000 0.193 551 E C 1.560 178.353 176.600 0.321 0.000 0.989 551 E CA 1.308 57.785 56.400 0.127 0.000 0.800 551 E CB -0.114 29.644 29.700 0.097 0.000 0.746 551 E HN 0.398 nan 8.360 nan 0.000 0.452 552 W N -0.246 121.085 121.300 0.053 0.000 2.418 552 W HA 0.104 4.764 4.660 0.001 0.000 0.292 552 W C 2.211 178.755 176.519 0.042 0.000 1.213 552 W CA 0.904 58.282 57.345 0.056 0.000 1.283 552 W CB -1.064 28.451 29.460 0.091 0.000 1.119 552 W HN 0.072 nan 8.180 nan 0.000 0.542 553 G N -0.534 108.429 108.800 0.271 0.000 2.776 553 G HA2 0.134 4.094 3.960 0.001 0.000 0.209 553 G HA3 0.134 4.094 3.960 0.001 0.000 0.209 553 G C 0.437 175.403 174.900 0.109 0.000 1.145 553 G CA 1.342 46.539 45.100 0.161 0.000 0.791 553 G HN 0.229 nan 8.290 nan 0.000 0.530 554 T N -5.068 109.553 114.554 0.112 0.000 2.637 554 T HA 0.630 4.980 4.350 0.001 0.000 0.303 554 T C 0.889 175.629 174.700 0.066 0.000 1.288 554 T CA 0.388 62.529 62.100 0.070 0.000 1.040 554 T CB 1.261 70.159 68.868 0.051 0.000 1.644 554 T HN 1.524 nan 8.240 nan 0.000 0.480 555 G N 0.942 109.766 108.800 0.040 0.000 2.581 555 G HA2 -0.317 3.643 3.960 0.001 0.000 0.291 555 G HA3 -0.317 3.643 3.960 0.001 0.000 0.291 555 G C 0.672 175.589 174.900 0.028 0.000 1.277 555 G CA 0.735 45.855 45.100 0.032 0.000 0.959 555 G HN 1.022 nan 8.290 nan 0.000 0.554 556 R N 0.424 120.940 120.500 0.026 0.000 2.303 556 R HA -0.024 4.317 4.340 0.001 0.000 0.225 556 R C 1.766 178.067 176.300 0.001 0.000 1.114 556 R CA 1.551 57.658 56.100 0.011 0.000 1.007 556 R CB -0.165 30.140 30.300 0.008 0.000 0.861 556 R HN 0.540 nan 8.270 nan 0.000 0.471 557 D N -0.397 120.015 120.400 0.020 0.000 2.468 557 D HA -0.014 4.626 4.640 0.001 0.000 0.243 557 D C 0.359 176.663 176.300 0.007 0.000 0.994 557 D CA 0.874 54.870 54.000 -0.006 0.000 0.932 557 D CB 0.033 40.844 40.800 0.019 0.000 1.078 557 D HN -0.065 nan 8.370 nan 0.000 0.473 558 T N 1.487 116.069 114.554 0.046 0.000 3.549 558 T HA -0.199 4.152 4.350 0.001 0.000 0.398 558 T C 0.304 175.025 174.700 0.035 0.000 0.766 558 T CA 0.287 62.413 62.100 0.044 0.000 2.007 558 T CB -1.619 67.263 68.868 0.024 0.000 1.727 558 T HN 0.119 nan 8.240 nan 0.000 0.693 559 L N -0.087 121.170 121.223 0.056 0.000 2.387 559 L HA 0.567 4.908 4.340 0.001 0.000 0.266 559 L C 1.054 177.969 176.870 0.076 0.000 1.059 559 L CA -1.143 53.720 54.840 0.038 0.000 0.801 559 L CB 0.944 43.007 42.059 0.008 0.000 1.223 559 L HN 0.125 nan 8.230 nan 0.000 0.456 560 R N 0.249 120.783 120.500 0.058 0.000 2.221 560 R HA 0.410 4.750 4.340 0.001 0.000 0.327 560 R C -1.288 175.069 176.300 0.095 0.000 1.033 560 R CA -0.435 55.706 56.100 0.069 0.000 0.887 560 R CB 0.809 31.135 30.300 0.044 0.000 1.057 560 R HN 0.542 nan 8.270 nan 0.000 0.455 561 C N 3.924 123.297 119.300 0.122 0.000 2.411 561 C HA 0.598 5.058 4.460 0.001 0.000 0.330 561 C C -0.778 174.274 174.990 0.105 0.000 1.224 561 C CA -0.834 58.271 59.018 0.145 0.000 1.770 561 C CB 0.925 28.786 27.740 0.202 0.000 2.297 561 C HN 0.533 nan 8.230 nan 0.000 0.507 562 L N 2.424 123.698 121.223 0.084 0.000 2.401 562 L HA 0.789 5.129 4.340 0.001 0.000 0.266 562 L C 0.159 177.055 176.870 0.042 0.000 0.991 562 L CA -0.338 54.543 54.840 0.068 0.000 0.818 562 L CB 1.588 43.677 42.059 0.050 0.000 1.321 562 L HN 0.879 nan 8.230 nan 0.000 0.413 563 A N 4.417 127.273 122.820 0.060 0.000 2.312 563 A HA 0.843 5.163 4.320 0.001 0.000 0.328 563 A C -1.113 176.453 177.584 -0.031 0.000 1.158 563 A CA -0.465 51.601 52.037 0.048 0.000 0.821 563 A CB 0.644 19.760 19.000 0.193 0.000 1.170 563 A HN 0.627 nan 8.150 nan 0.000 0.490 564 L N 1.466 122.579 121.223 -0.183 0.000 2.333 564 L HA 0.746 5.086 4.340 0.001 0.000 0.280 564 L C 0.245 176.966 176.870 -0.248 0.000 1.004 564 L CA -0.287 54.448 54.840 -0.176 0.000 0.820 564 L CB 1.690 43.629 42.059 -0.201 0.000 1.247 564 L HN 0.848 nan 8.230 nan 0.000 0.416 565 A N 1.742 124.513 122.820 -0.080 0.000 2.569 565 A HA 0.908 5.228 4.320 0.001 0.000 0.290 565 A C -0.687 176.939 177.584 0.070 0.000 1.136 565 A CA -0.508 51.510 52.037 -0.032 0.000 0.710 565 A CB 2.319 21.347 19.000 0.047 0.000 1.303 565 A HN 0.575 nan 8.150 nan 0.000 0.413 566 T N -0.826 113.780 114.554 0.085 0.000 2.933 566 T HA 0.618 4.968 4.350 0.001 0.000 0.305 566 T C -0.855 173.854 174.700 0.015 0.000 1.092 566 T CA -0.581 61.572 62.100 0.089 0.000 1.008 566 T CB 1.425 70.426 68.868 0.222 0.000 1.102 566 T HN 0.795 nan 8.240 nan 0.000 0.469 567 R N 2.710 123.164 120.500 -0.077 0.000 2.204 567 R HA 0.286 4.626 4.340 0.001 0.000 0.341 567 R C 0.297 176.522 176.300 -0.124 0.000 1.035 567 R CA -0.502 55.564 56.100 -0.057 0.000 0.887 567 R CB 0.362 30.627 30.300 -0.058 0.000 1.114 567 R HN 0.688 nan 8.270 nan 0.000 0.473 568 D N 1.721 122.078 120.400 -0.072 0.000 2.123 568 D HA -0.098 4.542 4.640 0.001 0.000 0.196 568 D C 0.011 176.240 176.300 -0.118 0.000 0.992 568 D CA 1.615 55.553 54.000 -0.104 0.000 0.833 568 D CB 0.314 41.050 40.800 -0.106 0.000 0.954 568 D HN 0.454 nan 8.370 nan 0.000 0.455 569 T N 3.146 117.652 114.554 -0.080 0.000 3.253 569 T HA 0.286 4.636 4.350 0.001 0.000 0.391 569 T C -2.353 172.322 174.700 -0.042 0.000 1.527 569 T CA -1.324 60.739 62.100 -0.062 0.000 1.268 569 T CB 1.970 70.822 68.868 -0.027 0.000 1.126 569 T HN 0.039 nan 8.240 nan 0.000 0.620 570 P HA 0.367 nan 4.420 nan 0.000 0.274 570 P C -2.729 174.612 177.300 0.069 0.000 1.237 570 P CA -1.491 61.584 63.100 -0.042 0.000 0.793 570 P CB 0.133 31.690 31.700 -0.239 0.000 0.977 571 P HA 0.144 nan 4.420 nan 0.000 0.271 571 P C -0.053 177.336 177.300 0.150 0.000 1.233 571 P CA 0.034 63.199 63.100 0.107 0.000 0.789 571 P CB 0.344 32.082 31.700 0.063 0.000 0.951 572 K N 1.298 121.743 120.400 0.075 0.000 2.237 572 K HA 0.131 4.452 4.320 0.001 0.000 0.270 572 K C 1.384 177.960 176.600 -0.040 0.000 1.015 572 K CA -0.231 56.094 56.287 0.063 0.000 0.949 572 K CB 0.486 33.003 32.500 0.029 0.000 0.976 572 K HN 0.235 nan 8.250 nan 0.000 0.472 573 R N 1.884 122.324 120.500 -0.100 0.000 2.117 573 R HA -0.197 4.143 4.340 0.001 0.000 0.243 573 R C 1.605 177.775 176.300 -0.217 0.000 1.143 573 R CA 1.621 57.572 56.100 -0.249 0.000 0.968 573 R CB -0.440 29.730 30.300 -0.217 0.000 0.863 573 R HN 0.641 nan 8.270 nan 0.000 0.444 574 E N 1.081 121.207 120.200 -0.123 0.000 2.023 574 E HA -0.204 4.147 4.350 0.001 0.000 0.196 574 E C 1.260 177.809 176.600 -0.087 0.000 1.003 574 E CA 1.747 58.090 56.400 -0.095 0.000 0.809 574 E CB -0.277 29.393 29.700 -0.050 0.000 0.755 574 E HN 0.647 nan 8.360 nan 0.000 0.449 575 E N 0.432 120.594 120.200 -0.062 0.000 2.405 575 E HA 0.001 4.351 4.350 0.001 0.000 0.194 575 E C -0.066 176.500 176.600 -0.056 0.000 1.149 575 E CA 0.239 56.621 56.400 -0.029 0.000 0.933 575 E CB -0.301 29.404 29.700 0.008 0.000 1.028 575 E HN 0.219 nan 8.360 nan 0.000 0.487 576 M N 0.845 120.346 119.600 -0.165 0.000 2.535 576 M HA 0.380 4.861 4.480 0.001 0.000 0.314 576 M C -1.172 175.041 176.300 -0.145 0.000 1.153 576 M CA -1.082 54.031 55.300 -0.313 0.000 0.924 576 M CB 2.978 35.186 32.600 -0.654 0.000 1.710 576 M HN -0.168 nan 8.290 nan 0.000 0.451 577 V N 3.933 123.892 119.914 0.074 0.000 2.409 577 V HA 0.342 4.463 4.120 0.001 0.000 0.291 577 V C 0.196 176.405 176.094 0.191 0.000 1.020 577 V CA -0.380 61.983 62.300 0.105 0.000 0.848 577 V CB 1.582 33.503 31.823 0.163 0.000 0.990 577 V HN 0.809 nan 8.190 nan 0.000 0.430 578 L N 3.338 124.593 121.223 0.052 0.000 2.769 578 L HA 0.244 4.585 4.340 0.001 0.000 0.240 578 L C 1.270 178.285 176.870 0.242 0.000 1.163 578 L CA 0.085 55.007 54.840 0.136 0.000 0.962 578 L CB 0.156 42.087 42.059 -0.212 0.000 1.258 578 L HN 0.773 nan 8.230 nan 0.000 0.513 579 D N -1.489 119.006 120.400 0.159 0.000 2.340 579 D HA -0.006 4.635 4.640 0.001 0.000 0.217 579 D C 0.024 176.358 176.300 0.057 0.000 1.081 579 D CA 0.060 54.122 54.000 0.104 0.000 0.842 579 D CB 0.343 41.169 40.800 0.042 0.000 0.934 579 D HN 0.125 nan 8.370 nan 0.000 0.511 580 D N -0.199 120.217 120.400 0.026 0.000 2.602 580 D HA 0.104 4.744 4.640 0.001 0.000 0.245 580 D C 0.890 176.776 176.300 -0.690 0.000 1.325 580 D CA -0.421 53.460 54.000 -0.198 0.000 0.952 580 D CB 1.871 42.602 40.800 -0.115 0.000 1.317 580 D HN -0.141 nan 8.370 nan 0.000 0.577 581 S N 1.586 116.670 115.700 -1.028 0.000 2.500 581 S HA -0.184 4.287 4.470 0.001 0.000 0.239 581 S C 1.781 175.851 174.600 -0.884 0.000 0.989 581 S CA 1.035 58.177 58.200 -1.763 0.000 0.951 581 S CB -0.402 62.304 63.200 -0.824 0.000 0.759 581 S HN 0.424 nan 8.310 nan 0.000 0.523 582 S N 2.297 117.700 115.700 -0.495 0.000 2.515 582 S HA -0.025 4.445 4.470 0.001 0.000 0.231 582 S C 1.718 176.180 174.600 -0.229 0.000 0.987 582 S CA 0.201 58.235 58.200 -0.276 0.000 0.936 582 S CB -0.378 62.712 63.200 -0.184 0.000 0.766 582 S HN 0.798 nan 8.310 nan 0.000 0.528 583 R N -0.358 119.996 120.500 -0.243 0.000 2.265 583 R HA 0.358 4.699 4.340 0.001 0.000 0.194 583 R C 1.677 177.846 176.300 -0.219 0.000 0.931 583 R CA 0.309 56.277 56.100 -0.221 0.000 1.032 583 R CB -0.567 29.660 30.300 -0.122 0.000 0.980 583 R HN 0.411 nan 8.270 nan 0.000 0.497 584 F N 1.812 121.674 119.950 -0.146 0.000 2.091 584 F HA -0.299 4.228 4.527 0.001 0.000 0.299 584 F C 2.727 178.498 175.800 -0.047 0.000 1.103 584 F CA 0.999 59.006 58.000 0.012 0.000 1.228 584 F CB -0.294 38.754 39.000 0.079 0.000 0.984 584 F HN 0.009 nan 8.300 nan 0.000 0.477 585 M N 0.641 120.307 119.600 0.109 0.000 2.089 585 M HA -0.290 4.190 4.480 0.001 0.000 0.257 585 M C 1.977 178.281 176.300 0.007 0.000 1.071 585 M CA 1.946 57.270 55.300 0.040 0.000 1.096 585 M CB -0.221 32.370 32.600 -0.016 0.000 1.330 585 M HN -0.052 nan 8.290 nan 0.000 0.403 586 E N -0.402 119.739 120.200 -0.099 0.000 2.204 586 E HA -0.173 4.177 4.350 0.001 0.000 0.195 586 E C 1.433 178.031 176.600 -0.004 0.000 0.990 586 E CA 1.493 57.831 56.400 -0.104 0.000 0.821 586 E CB -0.326 29.253 29.700 -0.201 0.000 0.750 586 E HN 0.686 nan 8.360 nan 0.000 0.477 587 Y N 0.301 120.667 120.300 0.111 0.000 2.475 587 Y HA 0.133 4.683 4.550 0.001 0.000 0.289 587 Y C 0.710 176.661 175.900 0.085 0.000 1.121 587 Y CA 0.529 58.692 58.100 0.105 0.000 1.257 587 Y CB 0.033 38.567 38.460 0.123 0.000 1.026 587 Y HN 0.035 nan 8.280 nan 0.000 0.555 588 E N 0.969 121.297 120.200 0.213 0.000 2.364 588 E HA 0.154 4.504 4.350 0.001 0.000 0.270 588 E C -0.029 176.634 176.600 0.105 0.000 1.398 588 E CA -0.152 56.332 56.400 0.141 0.000 1.721 588 E CB -0.059 29.716 29.700 0.126 0.000 1.525 588 E HN 0.242 nan 8.360 nan 0.000 0.446 589 T N -2.962 111.657 114.554 0.107 0.000 2.907 589 T HA 0.286 4.637 4.350 0.001 0.000 0.290 589 T C 0.202 174.957 174.700 0.091 0.000 1.066 589 T CA -0.832 61.317 62.100 0.082 0.000 1.012 589 T CB 1.561 70.469 68.868 0.066 0.000 1.184 589 T HN 0.070 nan 8.240 nan 0.000 0.522 590 D N -0.394 120.050 120.400 0.073 0.000 2.772 590 D HA -0.144 4.496 4.640 0.001 0.000 0.233 590 D C -0.505 175.893 176.300 0.164 0.000 1.143 590 D CA 0.530 54.588 54.000 0.096 0.000 0.700 590 D CB -1.719 39.154 40.800 0.123 0.000 1.076 590 D HN 0.650 nan 8.370 nan 0.000 0.430 591 L N -0.683 120.621 121.223 0.134 0.000 2.439 591 L HA 0.498 4.838 4.340 0.001 0.000 0.259 591 L C 1.093 178.100 176.870 0.228 0.000 1.129 591 L CA -0.516 54.419 54.840 0.158 0.000 0.803 591 L CB 1.183 43.315 42.059 0.121 0.000 1.161 591 L HN -0.072 nan 8.230 nan 0.000 0.462 592 T N 1.372 116.060 114.554 0.222 0.000 2.756 592 T HA 0.297 4.648 4.350 0.001 0.000 0.290 592 T C -0.457 174.366 174.700 0.207 0.000 0.985 592 T CA -0.278 61.979 62.100 0.261 0.000 0.955 592 T CB 0.405 69.386 68.868 0.189 0.000 0.930 592 T HN 0.264 nan 8.240 nan 0.000 0.451 593 F N 4.236 124.249 119.950 0.104 0.000 2.529 593 F HA 0.307 4.834 4.527 0.001 0.000 0.365 593 F C 0.707 176.550 175.800 0.073 0.000 1.102 593 F CA 0.108 58.151 58.000 0.073 0.000 1.271 593 F CB 0.588 39.623 39.000 0.060 0.000 1.120 593 F HN 0.333 nan 8.300 nan 0.000 0.579 594 V N 4.200 123.611 119.914 -0.838 0.000 3.090 594 V HA 0.490 4.611 4.120 0.001 0.000 0.237 594 V C 0.909 176.557 176.094 -0.742 0.000 1.209 594 V CA 0.670 62.651 62.300 -0.531 0.000 1.209 594 V CB 0.134 31.788 31.823 -0.281 0.000 0.971 594 V HN 1.073 nan 8.190 nan 0.000 0.477 595 G N -0.838 107.231 108.800 -1.219 0.000 2.428 595 G HA2 0.530 4.490 3.960 0.001 0.000 0.304 595 G HA3 0.530 4.490 3.960 0.001 0.000 0.304 595 G C -2.230 172.312 174.900 -0.598 0.000 1.303 595 G CA -0.120 44.542 45.100 -0.729 0.000 0.825 595 G HN -0.021 nan 8.290 nan 0.000 0.484 596 V N -0.314 119.267 119.914 -0.555 0.000 2.971 596 V HA 0.768 4.888 4.120 0.001 0.000 0.309 596 V C -0.287 175.705 176.094 -0.171 0.000 1.130 596 V CA -0.567 61.490 62.300 -0.407 0.000 0.964 596 V CB 1.925 33.339 31.823 -0.682 0.000 1.029 596 V HN 1.466 nan 8.190 nan 0.000 0.427 597 V N 0.517 120.427 119.914 -0.006 0.000 2.735 597 V HA 1.048 5.168 4.120 0.001 0.000 0.310 597 V C 0.080 176.265 176.094 0.151 0.000 1.061 597 V CA -0.437 61.909 62.300 0.077 0.000 0.913 597 V CB 1.705 33.529 31.823 0.003 0.000 1.005 597 V HN 1.046 nan 8.190 nan 0.000 0.428 598 G N 4.866 113.735 108.800 0.116 0.000 2.470 598 G HA2 0.736 4.697 3.960 0.001 0.000 0.320 598 G HA3 0.736 4.697 3.960 0.001 0.000 0.320 598 G C -0.751 174.124 174.900 -0.043 0.000 1.245 598 G CA -0.766 44.368 45.100 0.056 0.000 0.935 598 G HN 1.321 nan 8.290 nan 0.000 0.476 599 M N 1.682 121.274 119.600 -0.013 0.000 2.667 599 M HA 0.890 5.370 4.480 0.001 0.000 0.286 599 M C -1.627 174.658 176.300 -0.025 0.000 1.270 599 M CA -1.072 54.211 55.300 -0.029 0.000 0.826 599 M CB 2.726 35.324 32.600 -0.004 0.000 1.743 599 M HN 0.682 nan 8.290 nan 0.000 0.460 600 L N -0.818 120.384 121.223 -0.035 0.000 3.020 600 L HA 0.571 4.911 4.340 0.001 0.000 0.273 600 L C -1.817 175.026 176.870 -0.044 0.000 1.018 600 L CA -0.826 53.995 54.840 -0.033 0.000 0.950 600 L CB 0.479 42.513 42.059 -0.043 0.000 1.510 600 L HN 0.892 nan 8.230 nan 0.000 0.404 601 D N 3.349 123.726 120.400 -0.040 0.000 2.453 601 D HA 0.406 5.046 4.640 0.001 0.000 0.223 601 D C -2.269 173.990 176.300 -0.068 0.000 1.183 601 D CA -1.330 52.637 54.000 -0.055 0.000 0.933 601 D CB 0.594 41.371 40.800 -0.037 0.000 1.038 601 D HN 0.528 nan 8.370 nan 0.000 0.513 602 P HA 0.145 nan 4.420 nan 0.000 0.268 602 P C -2.620 174.625 177.300 -0.092 0.000 1.205 602 P CA -1.180 61.867 63.100 -0.088 0.000 0.771 602 P CB 0.546 32.188 31.700 -0.096 0.000 0.858 603 P HA 0.190 nan 4.420 nan 0.000 0.274 603 P C -0.084 177.152 177.300 -0.106 0.000 1.231 603 P CA -0.169 62.863 63.100 -0.114 0.000 0.790 603 P CB 0.791 32.417 31.700 -0.123 0.000 0.951 604 R N 1.786 122.218 120.500 -0.113 0.000 2.442 604 R HA 0.069 4.409 4.340 0.001 0.000 0.291 604 R C 1.771 178.028 176.300 -0.071 0.000 1.069 604 R CA -0.185 55.871 56.100 -0.074 0.000 1.022 604 R CB 0.277 30.552 30.300 -0.042 0.000 0.976 604 R HN 0.453 nan 8.270 nan 0.000 0.443 605 K N 2.261 122.633 120.400 -0.046 0.000 2.097 605 K HA -0.254 4.067 4.320 0.001 0.000 0.214 605 K C 1.343 177.927 176.600 -0.027 0.000 1.052 605 K CA 1.948 58.213 56.287 -0.037 0.000 0.932 605 K CB 0.002 32.489 32.500 -0.022 0.000 0.716 605 K HN 0.636 nan 8.250 nan 0.000 0.455 606 E N 1.255 121.454 120.200 -0.001 0.000 2.511 606 E HA -0.052 4.299 4.350 0.001 0.000 0.196 606 E C 1.844 178.460 176.600 0.027 0.000 1.066 606 E CA 0.479 56.895 56.400 0.027 0.000 0.871 606 E CB -0.349 29.391 29.700 0.067 0.000 0.863 606 E HN 0.127 nan 8.360 nan 0.000 0.520 607 V N 1.705 121.579 119.914 -0.068 0.000 2.270 607 V HA -0.270 3.850 4.120 0.001 0.000 0.245 607 V C 2.649 178.669 176.094 -0.123 0.000 1.043 607 V CA 2.131 64.311 62.300 -0.201 0.000 1.014 607 V CB -0.613 30.946 31.823 -0.439 0.000 0.645 607 V HN 0.249 nan 8.190 nan 0.000 0.447 608 M N 0.677 120.218 119.600 -0.098 0.000 2.073 608 M HA -0.157 4.324 4.480 0.001 0.000 0.258 608 M C 2.051 178.334 176.300 -0.029 0.000 1.070 608 M CA 2.561 57.821 55.300 -0.068 0.000 1.103 608 M CB -0.721 31.845 32.600 -0.057 0.000 1.321 608 M HN 0.377 nan 8.290 nan 0.000 0.405 609 G N -1.027 107.767 108.800 -0.010 0.000 2.422 609 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 609 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 609 G C 1.413 176.331 174.900 0.030 0.000 1.146 609 G CA 1.064 46.169 45.100 0.008 0.000 0.769 609 G HN 0.550 nan 8.290 nan 0.000 0.547 610 S N 0.504 116.241 115.700 0.061 0.000 2.356 610 S HA -0.059 4.412 4.470 0.001 0.000 0.223 610 S C 2.252 176.914 174.600 0.103 0.000 1.032 610 S CA 0.965 59.238 58.200 0.122 0.000 1.005 610 S CB -0.228 63.149 63.200 0.295 0.000 0.867 610 S HN 0.392 nan 8.310 nan 0.000 0.449 611 I N 1.184 121.795 120.570 0.067 0.000 2.394 611 I HA -0.180 3.990 4.170 0.001 0.000 0.251 611 I C 2.695 178.821 176.117 0.015 0.000 1.136 611 I CA 1.042 62.365 61.300 0.037 0.000 1.425 611 I CB -0.281 37.705 38.000 -0.023 0.000 1.079 611 I HN 0.258 nan 8.210 nan 0.000 0.425 612 Q N 1.208 121.013 119.800 0.008 0.000 2.119 612 Q HA -0.116 4.225 4.340 0.001 0.000 0.201 612 Q C 2.111 178.116 176.000 0.009 0.000 0.972 612 Q CA 1.593 57.398 55.803 0.003 0.000 0.847 612 Q CB -0.211 28.527 28.738 -0.001 0.000 0.903 612 Q HN 0.484 nan 8.270 nan 0.000 0.433 613 L N -1.002 120.232 121.223 0.017 0.000 2.056 613 L HA -0.211 4.129 4.340 0.001 0.000 0.207 613 L C 2.437 179.315 176.870 0.014 0.000 1.078 613 L CA 0.927 55.777 54.840 0.016 0.000 0.749 613 L CB -0.575 41.496 42.059 0.020 0.000 0.901 613 L HN 0.335 nan 8.230 nan 0.000 0.433 614 C N -0.053 119.259 119.300 0.021 0.000 2.429 614 C HA -0.145 4.316 4.460 0.001 0.000 0.277 614 C C 2.900 177.893 174.990 0.006 0.000 1.262 614 C CA 0.623 59.651 59.018 0.016 0.000 1.733 614 C CB -0.992 26.765 27.740 0.029 0.000 2.010 614 C HN 0.449 nan 8.230 nan 0.000 0.483 615 R N 0.927 121.430 120.500 0.004 0.000 2.117 615 R HA -0.142 4.198 4.340 0.001 0.000 0.243 615 R C 1.501 177.800 176.300 -0.001 0.000 1.143 615 R CA 1.670 57.769 56.100 -0.002 0.000 0.968 615 R CB -0.447 29.849 30.300 -0.005 0.000 0.863 615 R HN 0.595 nan 8.270 nan 0.000 0.444 616 D N 0.228 120.629 120.400 0.001 0.000 2.269 616 D HA -0.045 4.596 4.640 0.001 0.000 0.208 616 D C 1.156 177.456 176.300 0.001 0.000 0.963 616 D CA 0.988 54.988 54.000 0.001 0.000 0.864 616 D CB 0.113 40.914 40.800 0.002 0.000 0.936 616 D HN 0.262 nan 8.370 nan 0.000 0.505 617 A N -0.132 122.688 122.820 0.001 0.000 2.379 617 A HA 0.472 4.792 4.320 0.001 0.000 0.236 617 A C 1.583 179.166 177.584 -0.003 0.000 1.272 617 A CA 0.559 52.596 52.037 -0.000 0.000 0.886 617 A CB -0.178 18.822 19.000 -0.000 0.000 0.962 617 A HN 0.150 nan 8.150 nan 0.000 0.504 618 G N -0.187 108.611 108.800 -0.003 0.000 2.198 618 G HA2 -0.240 3.720 3.960 0.001 0.000 0.260 618 G HA3 -0.240 3.720 3.960 0.001 0.000 0.260 618 G C -0.027 174.869 174.900 -0.007 0.000 1.025 618 G CA 0.601 45.698 45.100 -0.006 0.000 0.769 618 G HN 0.544 nan 8.290 nan 0.000 0.507 619 I N 0.187 120.754 120.570 -0.005 0.000 2.339 619 I HA 0.404 4.574 4.170 0.001 0.000 0.290 619 I C 0.928 177.045 176.117 -0.000 0.000 0.994 619 I CA -0.937 60.361 61.300 -0.004 0.000 1.191 619 I CB 1.237 39.235 38.000 -0.004 0.000 1.343 619 I HN 0.018 nan 8.210 nan 0.000 0.458 620 R N 4.259 124.759 120.500 -0.000 0.000 2.531 620 R HA 0.590 4.930 4.340 0.001 0.000 0.273 620 R C -0.946 175.360 176.300 0.010 0.000 1.070 620 R CA -0.592 55.508 56.100 -0.000 0.000 1.112 620 R CB 1.474 31.775 30.300 0.002 0.000 1.049 620 R HN 0.343 nan 8.270 nan 0.000 0.508 621 V N 4.658 124.571 119.914 -0.001 0.000 2.407 621 V HA 0.380 4.500 4.120 0.001 0.000 0.291 621 V C -0.273 175.810 176.094 -0.018 0.000 1.018 621 V CA -0.540 61.768 62.300 0.013 0.000 0.842 621 V CB 1.426 33.260 31.823 0.018 0.000 0.996 621 V HN 0.579 nan 8.190 nan 0.000 0.426 622 I N 5.066 125.648 120.570 0.021 0.000 2.404 622 I HA 0.479 4.649 4.170 0.001 0.000 0.293 622 I C 0.005 176.147 176.117 0.041 0.000 0.992 622 I CA -0.458 60.862 61.300 0.034 0.000 1.149 622 I CB 1.876 39.957 38.000 0.136 0.000 1.315 622 I HN 0.558 nan 8.210 nan 0.000 0.446 623 M N 7.546 127.143 119.600 -0.005 0.000 2.120 623 M HA 0.483 4.964 4.480 0.001 0.000 0.354 623 M C -1.297 175.062 176.300 0.098 0.000 1.287 623 M CA -0.001 55.303 55.300 0.007 0.000 1.103 623 M CB 0.479 33.040 32.600 -0.065 0.000 1.623 623 M HN 0.499 nan 8.290 nan 0.000 0.471 624 I N 4.766 125.388 120.570 0.086 0.000 2.437 624 I HA 0.302 4.472 4.170 0.001 0.000 0.279 624 I C -0.368 175.778 176.117 0.048 0.000 1.028 624 I CA -0.413 60.945 61.300 0.097 0.000 1.142 624 I CB 1.715 39.740 38.000 0.043 0.000 1.266 624 I HN 0.624 nan 8.210 nan 0.000 0.461 625 T N 2.611 117.196 114.554 0.052 0.000 2.907 625 T HA 0.524 4.874 4.350 0.001 0.000 0.292 625 T C 0.925 175.643 174.700 0.031 0.000 1.043 625 T CA -0.246 61.871 62.100 0.029 0.000 1.003 625 T CB 1.898 70.777 68.868 0.019 0.000 1.084 625 T HN 0.660 nan 8.240 nan 0.000 0.483 626 G N 1.602 110.414 108.800 0.019 0.000 2.683 626 G HA2 0.115 4.075 3.960 0.001 0.000 0.213 626 G HA3 0.115 4.075 3.960 0.001 0.000 0.213 626 G C 0.530 175.444 174.900 0.022 0.000 1.142 626 G CA -0.020 45.093 45.100 0.021 0.000 0.793 626 G HN 0.684 nan 8.290 nan 0.000 0.534 627 D N 1.196 121.608 120.400 0.019 0.000 2.363 627 D HA -0.007 4.633 4.640 0.001 0.000 0.240 627 D C 0.743 177.059 176.300 0.027 0.000 1.236 627 D CA -0.423 53.589 54.000 0.021 0.000 0.927 627 D CB 0.475 41.283 40.800 0.014 0.000 1.150 627 D HN 0.314 nan 8.370 nan 0.000 0.458 628 N N 1.022 119.738 118.700 0.027 0.000 2.416 628 N HA -0.098 4.642 4.740 0.001 0.000 0.246 628 N C 0.686 176.211 175.510 0.025 0.000 1.260 628 N CA -0.167 52.901 53.050 0.030 0.000 0.897 628 N CB 1.164 39.669 38.487 0.030 0.000 1.110 628 N HN 0.403 nan 8.380 nan 0.000 0.439 629 K N 1.629 122.043 120.400 0.025 0.000 2.032 629 K HA -0.133 4.187 4.320 0.001 0.000 0.209 629 K C 2.010 178.616 176.600 0.010 0.000 1.048 629 K CA 1.848 58.144 56.287 0.016 0.000 0.927 629 K CB -0.819 31.686 32.500 0.008 0.000 0.712 629 K HN 0.757 nan 8.250 nan 0.000 0.441 630 G N -0.313 108.493 108.800 0.009 0.000 2.513 630 G HA2 -0.291 3.670 3.960 0.001 0.000 0.219 630 G HA3 -0.291 3.670 3.960 0.001 0.000 0.219 630 G C 1.417 176.324 174.900 0.011 0.000 1.160 630 G CA 1.646 46.749 45.100 0.006 0.000 0.767 630 G HN 0.404 nan 8.290 nan 0.000 0.571 631 T N 1.388 115.950 114.554 0.013 0.000 2.851 631 T HA 0.180 4.530 4.350 0.001 0.000 0.262 631 T C 2.832 177.537 174.700 0.009 0.000 1.043 631 T CA 1.246 63.352 62.100 0.010 0.000 1.140 631 T CB -0.337 68.537 68.868 0.009 0.000 0.872 631 T HN 0.384 nan 8.240 nan 0.000 0.446 632 A N 1.397 124.225 122.820 0.014 0.000 1.908 632 A HA -0.056 4.264 4.320 0.001 0.000 0.218 632 A C 2.278 179.883 177.584 0.036 0.000 1.181 632 A CA 1.332 53.378 52.037 0.015 0.000 0.627 632 A CB -0.804 18.208 19.000 0.020 0.000 0.818 632 A HN 0.516 nan 8.150 nan 0.000 0.445 633 I N -0.613 119.992 120.570 0.058 0.000 2.286 633 I HA -0.205 3.965 4.170 0.001 0.000 0.245 633 I C 2.980 179.152 176.117 0.092 0.000 1.104 633 I CA 0.839 62.211 61.300 0.119 0.000 1.397 633 I CB -0.384 37.645 38.000 0.048 0.000 1.072 633 I HN 0.358 nan 8.210 nan 0.000 0.417 634 A N 1.318 124.161 122.820 0.038 0.000 1.917 634 A HA -0.206 4.114 4.320 0.001 0.000 0.219 634 A C 2.241 179.832 177.584 0.012 0.000 1.182 634 A CA 1.563 53.612 52.037 0.021 0.000 0.633 634 A CB -0.629 18.375 19.000 0.007 0.000 0.819 634 A HN 0.321 nan 8.150 nan 0.000 0.448 635 I N -0.457 120.112 120.570 -0.002 0.000 2.252 635 I HA -0.220 3.951 4.170 0.001 0.000 0.245 635 I C 2.618 178.710 176.117 -0.041 0.000 1.102 635 I CA 0.913 62.192 61.300 -0.034 0.000 1.385 635 I CB -1.638 36.331 38.000 -0.053 0.000 1.064 635 I HN 0.372 nan 8.210 nan 0.000 0.414 636 C N 0.818 120.108 119.300 -0.017 0.000 2.401 636 C HA -0.177 4.283 4.460 0.001 0.000 0.276 636 C C 2.991 177.982 174.990 0.002 0.000 1.233 636 C CA 0.835 59.814 59.018 -0.065 0.000 1.753 636 C CB -1.068 26.631 27.740 -0.069 0.000 2.029 636 C HN 0.444 nan 8.230 nan 0.000 0.478 637 R N 0.195 120.752 120.500 0.095 0.000 2.066 637 R HA -0.075 4.265 4.340 0.001 0.000 0.232 637 R C 2.394 178.703 176.300 0.014 0.000 1.131 637 R CA 1.186 57.336 56.100 0.083 0.000 0.955 637 R CB -0.366 29.976 30.300 0.070 0.000 0.851 637 R HN 0.549 nan 8.270 nan 0.000 0.432 638 R N 0.824 121.318 120.500 -0.011 0.000 2.193 638 R HA -0.086 4.254 4.340 0.001 0.000 0.229 638 R C 2.035 178.301 176.300 -0.056 0.000 1.110 638 R CA 1.245 57.324 56.100 -0.036 0.000 0.988 638 R CB -0.180 30.092 30.300 -0.048 0.000 0.871 638 R HN 0.427 nan 8.270 nan 0.000 0.458 639 I N -5.318 115.209 120.570 -0.073 0.000 4.082 639 I HA 0.426 4.596 4.170 0.001 0.000 0.337 639 I C 0.894 176.958 176.117 -0.089 0.000 1.352 639 I CA 0.403 61.642 61.300 -0.100 0.000 1.097 639 I CB 1.133 39.041 38.000 -0.154 0.000 1.048 639 I HN 0.119 nan 8.210 nan 0.000 0.393 640 G N 1.944 110.705 108.800 -0.065 0.000 2.179 640 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 640 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 640 G C 0.739 175.590 174.900 -0.082 0.000 0.990 640 G CA 0.316 45.384 45.100 -0.054 0.000 0.646 640 G HN 0.401 nan 8.290 nan 0.000 0.517 641 I N -0.409 120.069 120.570 -0.155 0.000 2.315 641 I HA 0.171 4.341 4.170 0.001 0.000 0.248 641 I C 1.087 177.005 176.117 -0.332 0.000 1.117 641 I CA 1.237 62.355 61.300 -0.303 0.000 1.404 641 I CB -0.095 37.627 38.000 -0.464 0.000 1.071 641 I HN 0.195 nan 8.210 nan 0.000 0.419 642 F N -0.645 119.272 119.950 -0.055 0.000 2.577 642 F HA 0.514 5.042 4.527 0.001 0.000 0.318 642 F C 0.793 176.564 175.800 -0.047 0.000 1.065 642 F CA -1.159 56.807 58.000 -0.056 0.000 0.929 642 F CB 1.513 40.473 39.000 -0.067 0.000 1.237 642 F HN -0.229 nan 8.300 nan 0.000 0.468 643 G N 0.871 109.781 108.800 0.184 0.000 2.503 643 G HA2 0.160 4.120 3.960 0.001 0.000 0.257 643 G HA3 0.160 4.120 3.960 0.001 0.000 0.257 643 G C 0.451 175.381 174.900 0.049 0.000 1.214 643 G CA -0.165 44.980 45.100 0.075 0.000 0.839 643 G HN 0.749 nan 8.290 nan 0.000 0.559 644 E N 0.508 120.723 120.200 0.025 0.000 2.114 644 E HA -0.153 4.197 4.350 0.001 0.000 0.199 644 E C 1.644 178.239 176.600 -0.007 0.000 1.008 644 E CA 1.716 58.122 56.400 0.010 0.000 0.810 644 E CB 0.170 29.872 29.700 0.003 0.000 0.739 644 E HN 0.528 nan 8.360 nan 0.000 0.456 645 N N 0.217 118.908 118.700 -0.016 0.000 2.200 645 N HA 0.004 4.744 4.740 0.001 0.000 0.224 645 N C -0.413 175.062 175.510 -0.058 0.000 1.179 645 N CA -0.069 52.960 53.050 -0.035 0.000 0.877 645 N CB 0.472 38.943 38.487 -0.027 0.000 1.072 645 N HN 0.258 nan 8.380 nan 0.000 0.519 646 E N 1.674 121.838 120.200 -0.061 0.000 2.437 646 E HA -0.115 4.235 4.350 0.001 0.000 0.263 646 E C -0.337 176.156 176.600 -0.178 0.000 1.030 646 E CA 0.056 56.398 56.400 -0.096 0.000 0.934 646 E CB 0.627 30.285 29.700 -0.071 0.000 0.943 646 E HN -0.035 nan 8.360 nan 0.000 0.444 647 E N 3.554 123.653 120.200 -0.169 0.000 2.044 647 E HA 0.084 4.434 4.350 0.001 0.000 0.282 647 E C -0.407 176.020 176.600 -0.289 0.000 1.031 647 E CA -0.531 55.751 56.400 -0.197 0.000 0.824 647 E CB 0.866 30.488 29.700 -0.129 0.000 1.076 647 E HN 0.356 nan 8.360 nan 0.000 0.395 648 V N 3.446 123.098 119.914 -0.436 0.000 2.743 648 V HA 0.349 4.469 4.120 0.001 0.000 0.356 648 V C 1.317 177.184 176.094 -0.379 0.000 1.594 648 V CA 0.303 62.246 62.300 -0.595 0.000 1.652 648 V CB -0.928 30.316 31.823 -0.964 0.000 1.389 648 V HN 0.672 nan 8.190 nan 0.000 0.514 649 A N 2.332 124.996 122.820 -0.260 0.000 1.862 649 A HA -0.201 4.119 4.320 0.001 0.000 0.214 649 A C 1.619 179.053 177.584 -0.250 0.000 1.228 649 A CA 2.250 54.168 52.037 -0.198 0.000 0.665 649 A CB -0.617 18.308 19.000 -0.124 0.000 0.845 649 A HN 0.668 nan 8.150 nan 0.000 0.459 650 D N -1.337 118.943 120.400 -0.200 0.000 2.427 650 D HA 0.215 4.856 4.640 0.001 0.000 0.224 650 D C 1.066 177.202 176.300 -0.274 0.000 1.157 650 D CA 0.090 53.951 54.000 -0.232 0.000 0.828 650 D CB 0.222 41.027 40.800 0.008 0.000 0.974 650 D HN 0.395 nan 8.370 nan 0.000 0.498 651 R N 0.146 120.475 120.500 -0.284 0.000 2.365 651 R HA 0.302 4.642 4.340 0.001 0.000 0.223 651 R C 0.357 176.576 176.300 -0.135 0.000 0.899 651 R CA 0.071 56.110 56.100 -0.101 0.000 1.059 651 R CB 1.140 31.517 30.300 0.129 0.000 1.086 651 R HN -0.030 nan 8.270 nan 0.000 0.522 652 A N 0.215 122.785 122.820 -0.418 0.000 2.374 652 A HA 0.690 5.010 4.320 0.001 0.000 0.305 652 A C -1.556 175.697 177.584 -0.550 0.000 1.053 652 A CA -0.472 51.364 52.037 -0.335 0.000 0.726 652 A CB 0.870 19.763 19.000 -0.178 0.000 1.229 652 A HN 0.105 nan 8.150 nan 0.000 0.431 653 Y N -0.065 120.119 120.300 -0.194 0.000 2.553 653 Y HA 0.615 5.165 4.550 0.001 0.000 0.347 653 Y C 0.824 176.732 175.900 0.013 0.000 1.019 653 Y CA -0.361 57.718 58.100 -0.034 0.000 1.032 653 Y CB 2.440 40.962 38.460 0.103 0.000 1.284 653 Y HN 0.788 nan 8.280 nan 0.000 0.466 654 T N -2.517 112.183 114.554 0.243 0.000 2.944 654 T HA 0.405 4.755 4.350 0.001 0.000 0.284 654 T C 1.286 176.070 174.700 0.140 0.000 1.010 654 T CA -0.268 61.920 62.100 0.147 0.000 1.025 654 T CB 1.500 70.437 68.868 0.116 0.000 1.079 654 T HN 0.858 nan 8.240 nan 0.000 0.516 655 G N 0.026 108.849 108.800 0.039 0.000 2.499 655 G HA2 -0.170 3.790 3.960 0.001 0.000 0.221 655 G HA3 -0.170 3.790 3.960 0.001 0.000 0.221 655 G C 1.569 176.523 174.900 0.090 0.000 1.109 655 G CA 0.241 45.260 45.100 -0.135 0.000 0.749 655 G HN 0.719 nan 8.290 nan 0.000 0.568 656 R N -0.125 120.468 120.500 0.156 0.000 2.064 656 R HA 0.082 4.422 4.340 0.001 0.000 0.221 656 R C 2.442 178.846 176.300 0.174 0.000 1.136 656 R CA 0.800 57.001 56.100 0.169 0.000 0.980 656 R CB -0.326 30.054 30.300 0.133 0.000 0.876 656 R HN 0.389 nan 8.270 nan 0.000 0.437 657 E N 0.508 120.827 120.200 0.198 0.000 2.130 657 E HA -0.238 4.112 4.350 0.001 0.000 0.196 657 E C 1.651 178.375 176.600 0.207 0.000 0.998 657 E CA 1.415 57.951 56.400 0.227 0.000 0.806 657 E CB -0.225 29.675 29.700 0.334 0.000 0.738 657 E HN 0.240 nan 8.360 nan 0.000 0.459 658 F N 1.998 121.969 119.950 0.034 0.000 2.069 658 F HA -0.249 4.278 4.527 0.001 0.000 0.298 658 F C 1.783 177.567 175.800 -0.026 0.000 1.113 658 F CA 1.514 59.467 58.000 -0.078 0.000 1.214 658 F CB 0.094 39.047 39.000 -0.079 0.000 0.978 658 F HN -0.079 nan 8.300 nan 0.000 0.474 659 D N 0.179 120.626 120.400 0.079 0.000 2.221 659 D HA -0.169 4.471 4.640 0.001 0.000 0.204 659 D C 1.432 177.708 176.300 -0.039 0.000 0.982 659 D CA 1.228 55.232 54.000 0.005 0.000 0.857 659 D CB -0.582 40.304 40.800 0.143 0.000 0.934 659 D HN 0.380 nan 8.370 nan 0.000 0.475 660 D N -0.152 120.245 120.400 -0.006 0.000 2.363 660 D HA 0.044 4.685 4.640 0.001 0.000 0.226 660 D C 0.448 176.720 176.300 -0.047 0.000 1.020 660 D CA 0.116 54.113 54.000 -0.004 0.000 0.892 660 D CB 0.267 41.090 40.800 0.038 0.000 0.900 660 D HN 0.240 nan 8.370 nan 0.000 0.531 661 L N 2.356 123.502 121.223 -0.129 0.000 2.307 661 L HA 0.319 4.659 4.340 0.001 0.000 0.282 661 L C -2.091 174.674 176.870 -0.175 0.000 1.051 661 L CA -1.924 52.818 54.840 -0.163 0.000 0.804 661 L CB 1.510 43.407 42.059 -0.270 0.000 1.197 661 L HN -0.251 nan 8.230 nan 0.000 0.431 662 P HA 0.052 nan 4.420 nan 0.000 0.271 662 P C 0.714 177.933 177.300 -0.135 0.000 1.216 662 P CA -0.543 62.498 63.100 -0.100 0.000 0.776 662 P CB 1.190 32.851 31.700 -0.065 0.000 0.881 663 L N 2.992 124.151 121.223 -0.107 0.000 2.113 663 L HA -0.326 4.014 4.340 0.001 0.000 0.221 663 L C 2.725 179.491 176.870 -0.175 0.000 1.084 663 L CA 3.002 57.782 54.840 -0.100 0.000 0.787 663 L CB -2.136 39.910 42.059 -0.021 0.000 0.893 663 L HN 0.493 nan 8.230 nan 0.000 0.440 664 A N -0.927 121.818 122.820 -0.125 0.000 1.842 664 A HA -0.241 4.080 4.320 0.001 0.000 0.217 664 A C 2.241 179.741 177.584 -0.141 0.000 1.206 664 A CA 1.891 53.857 52.037 -0.119 0.000 0.630 664 A CB -0.648 18.311 19.000 -0.069 0.000 0.839 664 A HN 0.459 nan 8.150 nan 0.000 0.447 665 E N -0.397 119.732 120.200 -0.117 0.000 2.130 665 E HA -0.254 4.097 4.350 0.001 0.000 0.196 665 E C 2.209 178.711 176.600 -0.163 0.000 0.998 665 E CA 1.488 57.826 56.400 -0.102 0.000 0.806 665 E CB -0.392 29.258 29.700 -0.082 0.000 0.738 665 E HN 0.760 nan 8.360 nan 0.000 0.459 666 Q N 0.261 119.894 119.800 -0.279 0.000 2.002 666 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 666 Q C 2.380 178.153 176.000 -0.378 0.000 0.988 666 Q CA 1.788 57.350 55.803 -0.401 0.000 0.843 666 Q CB -0.173 28.256 28.738 -0.515 0.000 0.908 666 Q HN 0.104 nan 8.270 nan 0.000 0.420 667 R N 0.441 120.496 120.500 -0.741 0.000 2.096 667 R HA -0.249 4.091 4.340 0.001 0.000 0.240 667 R C 2.104 178.334 176.300 -0.116 0.000 1.139 667 R CA 1.941 57.547 56.100 -0.824 0.000 0.952 667 R CB -0.156 29.746 30.300 -0.664 0.000 0.854 667 R HN 0.120 nan 8.270 nan 0.000 0.436 668 E N 0.212 120.392 120.200 -0.034 0.000 2.110 668 E HA -0.121 4.229 4.350 0.001 0.000 0.193 668 E C 1.666 178.322 176.600 0.094 0.000 0.988 668 E CA 1.598 58.039 56.400 0.069 0.000 0.804 668 E CB -0.286 29.436 29.700 0.038 0.000 0.745 668 E HN 0.460 nan 8.360 nan 0.000 0.458 669 A N -0.126 122.761 122.820 0.111 0.000 1.940 669 A HA -0.230 4.090 4.320 0.001 0.000 0.219 669 A C 2.499 180.316 177.584 0.389 0.000 1.176 669 A CA 1.586 53.776 52.037 0.253 0.000 0.631 669 A CB -1.057 18.069 19.000 0.210 0.000 0.814 669 A HN 0.496 nan 8.150 nan 0.000 0.446 670 C N -1.228 118.274 119.300 0.335 0.000 2.437 670 C HA 0.009 4.470 4.460 0.001 0.000 0.283 670 C C 2.617 177.738 174.990 0.219 0.000 1.424 670 C CA 0.886 60.104 59.018 0.333 0.000 1.782 670 C CB -1.368 26.546 27.740 0.291 0.000 1.833 670 C HN 0.557 nan 8.230 nan 0.000 0.532 671 R N -0.449 120.117 120.500 0.109 0.000 2.290 671 R HA 0.089 4.429 4.340 0.001 0.000 0.197 671 R C 2.333 178.649 176.300 0.026 0.000 0.913 671 R CA 0.170 56.252 56.100 -0.029 0.000 1.040 671 R CB 0.023 30.177 30.300 -0.243 0.000 0.992 671 R HN 0.518 nan 8.270 nan 0.000 0.500 672 R N 0.302 120.866 120.500 0.106 0.000 2.125 672 R HA 0.252 4.592 4.340 0.001 0.000 0.195 672 R C 0.145 176.524 176.300 0.131 0.000 1.138 672 R CA 0.444 56.608 56.100 0.106 0.000 1.123 672 R CB 0.242 30.617 30.300 0.125 0.000 1.049 672 R HN 0.054 nan 8.270 nan 0.000 0.503 673 A N 0.263 123.207 122.820 0.207 0.000 2.445 673 A HA 0.171 4.492 4.320 0.001 0.000 0.242 673 A C 0.492 178.083 177.584 0.011 0.000 1.075 673 A CA -0.184 51.912 52.037 0.099 0.000 0.777 673 A CB 0.421 19.481 19.000 0.100 0.000 1.013 673 A HN 0.644 nan 8.150 nan 0.000 0.493 674 C N 0.118 119.346 119.300 -0.120 0.000 3.491 674 C HA 0.364 4.824 4.460 0.001 0.000 0.298 674 C C 0.523 175.347 174.990 -0.277 0.000 1.424 674 C CA -0.330 58.578 59.018 -0.185 0.000 1.772 674 C CB -1.204 26.335 27.740 -0.335 0.000 2.447 674 C HN 0.837 nan 8.230 nan 0.000 0.670 675 C N 1.531 120.603 119.300 -0.380 0.000 2.446 675 C HA 0.751 5.212 4.460 0.001 0.000 0.329 675 C C -1.504 173.156 174.990 -0.551 0.000 1.166 675 C CA -0.522 58.320 59.018 -0.294 0.000 1.341 675 C CB -0.634 27.078 27.740 -0.046 0.000 1.970 675 C HN 0.462 nan 8.230 nan 0.000 0.452 676 F N 5.065 125.013 119.950 -0.003 0.000 2.496 676 F HA 0.667 5.195 4.527 0.001 0.000 0.341 676 F C 0.558 176.330 175.800 -0.048 0.000 1.134 676 F CA -0.151 57.821 58.000 -0.048 0.000 0.968 676 F CB 1.433 40.328 39.000 -0.175 0.000 1.205 676 F HN 0.821 nan 8.300 nan 0.000 0.436 677 A N 2.524 125.399 122.820 0.092 0.000 2.322 677 A HA 0.800 5.120 4.320 0.001 0.000 0.327 677 A C 0.603 178.223 177.584 0.059 0.000 1.134 677 A CA -1.100 50.973 52.037 0.061 0.000 0.831 677 A CB 0.836 19.859 19.000 0.039 0.000 1.288 677 A HN 0.864 nan 8.150 nan 0.000 0.472 678 R N -1.425 119.107 120.500 0.053 0.000 3.322 678 R HA -0.153 4.188 4.340 0.001 0.000 0.253 678 R C -0.196 176.152 176.300 0.080 0.000 0.987 678 R CA 0.699 56.836 56.100 0.061 0.000 0.666 678 R CB -2.092 28.247 30.300 0.065 0.000 1.072 678 R HN 1.473 nan 8.270 nan 0.000 0.447 679 V N -2.521 117.440 119.914 0.078 0.000 3.096 679 V HA 0.696 4.817 4.120 0.001 0.000 0.319 679 V C 0.388 176.605 176.094 0.204 0.000 1.082 679 V CA -0.626 61.762 62.300 0.146 0.000 1.022 679 V CB 2.080 33.913 31.823 0.017 0.000 1.103 679 V HN 0.308 nan 8.190 nan 0.000 0.455 680 E N 1.968 122.360 120.200 0.320 0.000 2.299 680 E HA 0.446 4.797 4.350 0.001 0.000 0.260 680 E C -2.216 174.388 176.600 0.007 0.000 0.944 680 E CA -1.946 54.490 56.400 0.060 0.000 0.815 680 E CB 1.832 31.495 29.700 -0.063 0.000 1.252 680 E HN 0.449 nan 8.360 nan 0.000 0.418 681 P HA -0.273 nan 4.420 nan 0.000 0.216 681 P C 1.260 178.523 177.300 -0.062 0.000 1.154 681 P CA 1.869 64.936 63.100 -0.055 0.000 0.865 681 P CB 0.105 31.763 31.700 -0.070 0.000 0.789 682 S N -2.344 113.298 115.700 -0.096 0.000 2.406 682 S HA -0.194 4.276 4.470 0.001 0.000 0.228 682 S C 1.813 176.371 174.600 -0.071 0.000 1.020 682 S CA 1.004 59.140 58.200 -0.107 0.000 0.965 682 S CB -1.682 61.431 63.200 -0.146 0.000 0.798 682 S HN 0.291 nan 8.310 nan 0.000 0.488 683 H N 1.676 120.704 119.070 -0.070 0.000 2.387 683 H HA 0.032 4.588 4.556 0.001 0.000 0.299 683 H C 2.250 177.465 175.328 -0.187 0.000 1.090 683 H CA 1.559 57.547 56.048 -0.101 0.000 1.332 683 H CB 0.049 29.755 29.762 -0.094 0.000 1.386 683 H HN 0.421 nan 8.280 nan 0.000 0.516 684 K N 0.110 120.501 120.400 -0.015 0.000 2.026 684 K HA -0.086 4.235 4.320 0.001 0.000 0.208 684 K C 2.440 178.982 176.600 -0.097 0.000 1.048 684 K CA 1.392 57.631 56.287 -0.081 0.000 0.929 684 K CB -0.050 32.420 32.500 -0.049 0.000 0.713 684 K HN 0.101 nan 8.250 nan 0.000 0.439 685 S N 1.325 116.976 115.700 -0.082 0.000 2.368 685 S HA -0.150 4.320 4.470 0.001 0.000 0.225 685 S C 1.903 176.426 174.600 -0.128 0.000 1.030 685 S CA 1.185 59.331 58.200 -0.091 0.000 0.999 685 S CB -0.098 63.052 63.200 -0.082 0.000 0.844 685 S HN 0.280 nan 8.310 nan 0.000 0.459 686 K N 1.084 121.395 120.400 -0.148 0.000 1.991 686 K HA -0.096 4.225 4.320 0.001 0.000 0.212 686 K C 2.027 178.436 176.600 -0.319 0.000 1.049 686 K CA 1.517 57.648 56.287 -0.261 0.000 0.932 686 K CB -0.407 31.988 32.500 -0.175 0.000 0.717 686 K HN 0.275 nan 8.250 nan 0.000 0.441 687 I N 0.890 121.325 120.570 -0.225 0.000 2.145 687 I HA -0.351 3.819 4.170 0.001 0.000 0.244 687 I C 2.290 178.370 176.117 -0.063 0.000 1.075 687 I CA 1.326 62.518 61.300 -0.179 0.000 1.332 687 I CB -0.327 37.424 38.000 -0.415 0.000 1.033 687 I HN 0.046 nan 8.210 nan 0.000 0.410 688 V N 0.427 120.290 119.914 -0.085 0.000 2.407 688 V HA -0.307 3.813 4.120 0.001 0.000 0.248 688 V C 2.468 178.555 176.094 -0.012 0.000 1.055 688 V CA 2.138 64.418 62.300 -0.033 0.000 1.049 688 V CB -0.652 31.143 31.823 -0.046 0.000 0.662 688 V HN 0.493 nan 8.190 nan 0.000 0.455 689 E N -0.759 119.400 120.200 -0.068 0.000 2.051 689 E HA -0.224 4.126 4.350 0.001 0.000 0.192 689 E C 2.212 178.834 176.600 0.038 0.000 0.991 689 E CA 1.619 57.980 56.400 -0.065 0.000 0.799 689 E CB -0.285 29.317 29.700 -0.163 0.000 0.748 689 E HN 0.730 nan 8.360 nan 0.000 0.449 690 Y N 0.001 120.307 120.300 0.010 0.000 2.081 690 Y HA -0.305 4.245 4.550 0.001 0.000 0.280 690 Y C 2.420 178.378 175.900 0.096 0.000 1.163 690 Y CA 0.460 58.575 58.100 0.026 0.000 1.135 690 Y CB -0.108 38.407 38.460 0.093 0.000 0.970 690 Y HN 0.165 nan 8.280 nan 0.000 0.498 691 L N 0.418 121.833 121.223 0.319 0.000 1.997 691 L HA -0.323 4.017 4.340 0.001 0.000 0.216 691 L C 2.312 179.320 176.870 0.230 0.000 1.074 691 L CA 1.824 56.838 54.840 0.291 0.000 0.763 691 L CB -1.373 40.782 42.059 0.159 0.000 0.890 691 L HN 0.345 nan 8.230 nan 0.000 0.434 692 Q N -1.144 118.732 119.800 0.126 0.000 2.170 692 Q HA -0.186 4.154 4.340 0.001 0.000 0.203 692 Q C 2.242 178.278 176.000 0.059 0.000 0.976 692 Q CA 1.637 57.485 55.803 0.074 0.000 0.858 692 Q CB -0.326 28.430 28.738 0.031 0.000 0.907 692 Q HN 0.699 nan 8.270 nan 0.000 0.433 693 S N -0.214 115.505 115.700 0.031 0.000 2.419 693 S HA -0.173 4.298 4.470 0.001 0.000 0.233 693 S C 1.269 175.800 174.600 -0.114 0.000 1.016 693 S CA 0.794 58.950 58.200 -0.074 0.000 0.974 693 S CB -0.380 62.732 63.200 -0.146 0.000 0.786 693 S HN 0.448 nan 8.310 nan 0.000 0.492 694 Y N 1.869 122.193 120.300 0.040 0.000 2.495 694 Y HA 0.232 4.782 4.550 0.001 0.000 0.293 694 Y C 0.223 176.133 175.900 0.017 0.000 1.186 694 Y CA -0.204 57.911 58.100 0.025 0.000 1.266 694 Y CB -0.257 38.219 38.460 0.025 0.000 1.101 694 Y HN 0.136 nan 8.280 nan 0.000 0.517 695 D N 0.484 120.958 120.400 0.123 0.000 2.945 695 D HA -0.223 4.417 4.640 0.001 0.000 0.225 695 D C -0.397 175.943 176.300 0.068 0.000 1.158 695 D CA 0.860 54.905 54.000 0.074 0.000 0.805 695 D CB -1.146 39.690 40.800 0.061 0.000 1.098 695 D HN 0.515 nan 8.370 nan 0.000 0.426 696 E N 0.012 120.267 120.200 0.090 0.000 2.227 696 E HA 0.258 4.608 4.350 0.001 0.000 0.282 696 E C 0.599 177.216 176.600 0.029 0.000 1.015 696 E CA -0.800 55.635 56.400 0.057 0.000 0.823 696 E CB 1.099 30.845 29.700 0.076 0.000 1.081 696 E HN 0.048 nan 8.360 nan 0.000 0.396 697 I N 3.890 124.459 120.570 -0.001 0.000 2.421 697 I HA 0.007 4.177 4.170 0.001 0.000 0.291 697 I C 0.820 176.928 176.117 -0.015 0.000 1.089 697 I CA 0.295 61.582 61.300 -0.021 0.000 1.354 697 I CB -0.321 37.648 38.000 -0.052 0.000 1.413 697 I HN 0.461 nan 8.210 nan 0.000 0.513 698 T N 3.759 118.308 114.554 -0.008 0.000 2.895 698 T HA 0.843 5.193 4.350 0.001 0.000 0.283 698 T C -0.228 174.459 174.700 -0.021 0.000 1.014 698 T CA -0.683 61.413 62.100 -0.006 0.000 1.037 698 T CB 2.184 71.058 68.868 0.010 0.000 1.006 698 T HN 0.637 nan 8.240 nan 0.000 0.468 699 A N 2.868 125.675 122.820 -0.023 0.000 2.354 699 A HA 0.893 5.213 4.320 0.001 0.000 0.321 699 A C -0.563 177.005 177.584 -0.026 0.000 1.125 699 A CA -1.096 50.919 52.037 -0.036 0.000 0.799 699 A CB 1.604 20.573 19.000 -0.052 0.000 1.293 699 A HN 0.995 nan 8.150 nan 0.000 0.452 700 M N 0.728 120.309 119.600 -0.033 0.000 2.386 700 M HA 0.581 5.062 4.480 0.001 0.000 0.293 700 M C -1.265 175.019 176.300 -0.026 0.000 1.120 700 M CA 0.073 55.361 55.300 -0.021 0.000 0.909 700 M CB 2.136 34.721 32.600 -0.026 0.000 1.661 700 M HN 0.539 nan 8.290 nan 0.000 0.452 701 T N 3.263 117.818 114.554 0.001 0.000 2.812 701 T HA 0.925 5.276 4.350 0.001 0.000 0.282 701 T C -0.302 174.414 174.700 0.027 0.000 0.990 701 T CA -0.563 61.542 62.100 0.008 0.000 0.960 701 T CB 1.388 70.289 68.868 0.054 0.000 0.948 701 T HN 0.920 nan 8.240 nan 0.000 0.438 702 G N 0.966 109.769 108.800 0.006 0.000 2.649 702 G HA2 0.591 4.551 3.960 0.001 0.000 0.290 702 G HA3 0.591 4.551 3.960 0.001 0.000 0.290 702 G C -0.597 174.296 174.900 -0.012 0.000 1.426 702 G CA -0.687 44.413 45.100 -0.001 0.000 0.794 702 G HN 0.580 nan 8.290 nan 0.000 0.483 703 D N -1.560 118.827 120.400 -0.023 0.000 2.218 703 D HA 0.161 4.801 4.640 0.001 0.000 0.307 703 D C 1.056 177.316 176.300 -0.066 0.000 1.086 703 D CA 0.701 54.681 54.000 -0.033 0.000 0.886 703 D CB 0.256 41.049 40.800 -0.013 0.000 1.645 703 D HN 0.785 nan 8.370 nan 0.000 0.523 704 G N 1.094 109.852 108.800 -0.069 0.000 2.522 704 G HA2 0.406 4.367 3.960 0.001 0.000 0.304 704 G HA3 0.406 4.367 3.960 0.001 0.000 0.304 704 G C 1.185 176.001 174.900 -0.140 0.000 1.210 704 G CA -0.183 44.852 45.100 -0.107 0.000 0.960 704 G HN -0.049 nan 8.290 nan 0.000 0.497 705 V N 1.351 121.149 119.914 -0.193 0.000 2.332 705 V HA -0.213 3.908 4.120 0.001 0.000 0.248 705 V C 2.789 178.814 176.094 -0.115 0.000 1.055 705 V CA 2.072 64.260 62.300 -0.187 0.000 1.038 705 V CB -0.641 31.067 31.823 -0.192 0.000 0.651 705 V HN 0.880 nan 8.190 nan 0.000 0.450 706 N N 0.011 118.654 118.700 -0.096 0.000 2.585 706 N HA -0.192 4.549 4.740 0.001 0.000 0.188 706 N C 1.004 176.477 175.510 -0.062 0.000 1.102 706 N CA 1.571 54.576 53.050 -0.075 0.000 0.920 706 N CB -0.443 38.005 38.487 -0.065 0.000 0.963 706 N HN 0.487 nan 8.380 nan 0.000 0.447 707 D N 0.332 120.693 120.400 -0.065 0.000 2.355 707 D HA 0.189 4.829 4.640 0.001 0.000 0.206 707 D C 1.871 178.137 176.300 -0.057 0.000 1.010 707 D CA 0.654 54.622 54.000 -0.053 0.000 0.875 707 D CB -0.048 40.724 40.800 -0.046 0.000 0.966 707 D HN 0.311 nan 8.370 nan 0.000 0.512 708 A N 2.227 125.007 122.820 -0.068 0.000 1.884 708 A HA -0.184 4.136 4.320 0.001 0.000 0.219 708 A C -0.220 177.331 177.584 -0.054 0.000 1.197 708 A CA 1.721 53.720 52.037 -0.063 0.000 0.637 708 A CB -1.598 17.360 19.000 -0.070 0.000 0.827 708 A HN 0.182 nan 8.150 nan 0.000 0.450 709 P HA -0.134 nan 4.420 nan 0.000 0.214 709 P C 1.806 179.075 177.300 -0.052 0.000 1.163 709 P CA 2.103 65.171 63.100 -0.052 0.000 0.883 709 P CB -0.170 31.497 31.700 -0.056 0.000 0.788 710 A N -1.055 121.733 122.820 -0.052 0.000 1.969 710 A HA -0.146 4.174 4.320 0.001 0.000 0.218 710 A C 2.223 179.780 177.584 -0.044 0.000 1.169 710 A CA 1.297 53.304 52.037 -0.050 0.000 0.635 710 A CB -1.630 17.340 19.000 -0.049 0.000 0.810 710 A HN 0.098 nan 8.150 nan 0.000 0.445 711 L N -0.725 120.471 121.223 -0.044 0.000 2.017 711 L HA -0.202 4.138 4.340 0.001 0.000 0.208 711 L C 2.649 179.493 176.870 -0.043 0.000 1.073 711 L CA 2.016 56.831 54.840 -0.043 0.000 0.745 711 L CB -0.359 41.673 42.059 -0.045 0.000 0.894 711 L HN 0.466 nan 8.230 nan 0.000 0.432 712 K N 0.718 121.092 120.400 -0.043 0.000 2.026 712 K HA -0.270 4.050 4.320 0.001 0.000 0.208 712 K C 2.228 178.805 176.600 -0.039 0.000 1.048 712 K CA 1.790 58.052 56.287 -0.040 0.000 0.929 712 K CB -0.034 32.442 32.500 -0.039 0.000 0.713 712 K HN 0.037 nan 8.250 nan 0.000 0.439 713 K N 0.654 121.029 120.400 -0.041 0.000 2.103 713 K HA -0.093 4.227 4.320 0.001 0.000 0.207 713 K C 0.218 176.797 176.600 -0.036 0.000 1.048 713 K CA 1.071 57.334 56.287 -0.040 0.000 0.930 713 K CB -0.320 32.152 32.500 -0.046 0.000 0.716 713 K HN 0.260 nan 8.250 nan 0.000 0.444 714 A N 1.287 124.086 122.820 -0.036 0.000 2.531 714 A HA -0.005 4.316 4.320 0.001 0.000 0.236 714 A C 0.608 178.171 177.584 -0.035 0.000 1.062 714 A CA -0.082 51.935 52.037 -0.033 0.000 0.760 714 A CB 0.290 19.270 19.000 -0.034 0.000 0.995 714 A HN 0.449 nan 8.150 nan 0.000 0.501 715 E N 0.639 120.819 120.200 -0.033 0.000 2.130 715 E HA -0.129 4.221 4.350 0.001 0.000 0.196 715 E C -0.099 176.475 176.600 -0.043 0.000 0.998 715 E CA 1.620 57.998 56.400 -0.038 0.000 0.806 715 E CB -0.201 29.475 29.700 -0.041 0.000 0.738 715 E HN 0.671 nan 8.360 nan 0.000 0.459 716 I N -0.183 120.360 120.570 -0.046 0.000 2.468 716 I HA 0.364 4.535 4.170 0.001 0.000 0.284 716 I C 0.100 176.185 176.117 -0.053 0.000 1.038 716 I CA -0.903 60.366 61.300 -0.052 0.000 1.083 716 I CB 2.157 40.121 38.000 -0.059 0.000 1.223 716 I HN -0.131 nan 8.210 nan 0.000 0.443 717 G N 7.103 115.872 108.800 -0.052 0.000 2.338 717 G HA2 0.745 4.705 3.960 0.001 0.000 0.298 717 G HA3 0.745 4.705 3.960 0.001 0.000 0.298 717 G C -0.566 174.299 174.900 -0.059 0.000 1.140 717 G CA -0.389 44.681 45.100 -0.052 0.000 0.860 717 G HN 0.523 nan 8.290 nan 0.000 0.470 718 I N 1.812 122.344 120.570 -0.063 0.000 2.418 718 I HA 0.514 4.685 4.170 0.001 0.000 0.287 718 I C 0.246 176.328 176.117 -0.059 0.000 1.008 718 I CA -0.761 60.494 61.300 -0.075 0.000 1.104 718 I CB 2.022 39.955 38.000 -0.112 0.000 1.264 718 I HN 0.541 nan 8.210 nan 0.000 0.438 719 A N 7.553 130.341 122.820 -0.053 0.000 2.350 719 A HA 0.805 5.126 4.320 0.001 0.000 0.324 719 A C -0.249 177.316 177.584 -0.032 0.000 1.118 719 A CA -0.741 51.273 52.037 -0.040 0.000 0.783 719 A CB 1.325 20.301 19.000 -0.041 0.000 1.236 719 A HN 0.594 nan 8.150 nan 0.000 0.457 720 M N 1.977 121.568 119.600 -0.016 0.000 2.238 720 M HA 0.145 4.625 4.480 0.001 0.000 0.347 720 M C 1.599 177.895 176.300 -0.007 0.000 1.173 720 M CA 0.105 55.403 55.300 -0.003 0.000 1.147 720 M CB 0.387 32.996 32.600 0.015 0.000 1.547 720 M HN 0.932 nan 8.290 nan 0.000 0.455 721 G N 1.441 110.238 108.800 -0.004 0.000 2.479 721 G HA2 -0.144 3.816 3.960 0.001 0.000 0.220 721 G HA3 -0.144 3.816 3.960 0.001 0.000 0.220 721 G C 1.027 175.928 174.900 0.001 0.000 1.115 721 G CA 1.030 46.128 45.100 -0.003 0.000 0.757 721 G HN 0.752 nan 8.290 nan 0.000 0.560 722 S N -0.237 115.467 115.700 0.007 0.000 2.574 722 S HA 0.531 5.001 4.470 0.001 0.000 0.242 722 S C 1.011 175.618 174.600 0.010 0.000 0.982 722 S CA -0.021 58.186 58.200 0.012 0.000 0.977 722 S CB 0.704 63.916 63.200 0.021 0.000 0.814 722 S HN 0.436 nan 8.310 nan 0.000 0.464 723 G N 1.614 110.413 108.800 -0.002 0.000 2.532 723 G HA2 0.519 4.479 3.960 0.001 0.000 0.291 723 G HA3 0.519 4.479 3.960 0.001 0.000 0.291 723 G C 0.170 175.053 174.900 -0.029 0.000 1.349 723 G CA -0.190 44.900 45.100 -0.016 0.000 1.038 723 G HN 0.451 nan 8.290 nan 0.000 0.518 724 T N -3.020 111.488 114.554 -0.076 0.000 2.726 724 T HA 0.436 4.787 4.350 0.001 0.000 0.294 724 T C 1.664 176.310 174.700 -0.091 0.000 1.013 724 T CA 0.530 62.555 62.100 -0.126 0.000 0.996 724 T CB 1.131 69.792 68.868 -0.344 0.000 1.016 724 T HN 0.852 nan 8.240 nan 0.000 0.529 725 A N 0.919 123.694 122.820 -0.075 0.000 1.854 725 A HA 0.060 4.381 4.320 0.001 0.000 0.214 725 A C 2.610 180.159 177.584 -0.058 0.000 1.192 725 A CA 1.895 53.913 52.037 -0.032 0.000 0.611 725 A CB -1.528 17.487 19.000 0.025 0.000 0.832 725 A HN 1.298 nan 8.150 nan 0.000 0.442 726 V N -1.464 118.393 119.914 -0.096 0.000 2.252 726 V HA -0.254 3.866 4.120 0.001 0.000 0.249 726 V C 2.636 178.682 176.094 -0.080 0.000 1.056 726 V CA 2.245 64.494 62.300 -0.086 0.000 1.022 726 V CB -1.904 29.849 31.823 -0.118 0.000 0.641 726 V HN 0.565 nan 8.190 nan 0.000 0.445 727 A N 0.709 123.468 122.820 -0.101 0.000 1.917 727 A HA -0.259 4.061 4.320 0.001 0.000 0.219 727 A C 2.329 179.877 177.584 -0.060 0.000 1.182 727 A CA 2.533 54.522 52.037 -0.080 0.000 0.633 727 A CB -0.692 18.257 19.000 -0.085 0.000 0.819 727 A HN 0.678 nan 8.150 nan 0.000 0.448 728 K N -0.846 119.521 120.400 -0.054 0.000 2.148 728 K HA -0.106 4.215 4.320 0.001 0.000 0.204 728 K C 2.163 178.738 176.600 -0.040 0.000 1.050 728 K CA 1.677 57.938 56.287 -0.043 0.000 0.942 728 K CB -0.337 32.142 32.500 -0.034 0.000 0.724 728 K HN 0.767 nan 8.250 nan 0.000 0.446 729 T N -1.567 112.964 114.554 -0.039 0.000 2.985 729 T HA 0.077 4.428 4.350 0.001 0.000 0.266 729 T C 1.770 176.447 174.700 -0.038 0.000 1.076 729 T CA 0.676 62.755 62.100 -0.035 0.000 1.135 729 T CB 0.084 68.935 68.868 -0.028 0.000 0.890 729 T HN 0.096 nan 8.240 nan 0.000 0.480 730 A N 0.787 123.581 122.820 -0.042 0.000 2.302 730 A HA 0.579 4.900 4.320 0.001 0.000 0.219 730 A C 0.843 178.400 177.584 -0.045 0.000 1.243 730 A CA -0.517 51.494 52.037 -0.043 0.000 0.856 730 A CB -0.159 18.814 19.000 -0.045 0.000 0.893 730 A HN 0.443 nan 8.150 nan 0.000 0.491 731 S N -0.820 114.852 115.700 -0.046 0.000 2.566 731 S HA 0.425 4.895 4.470 0.001 0.000 0.298 731 S C 0.061 174.631 174.600 -0.050 0.000 1.083 731 S CA -0.498 57.673 58.200 -0.048 0.000 0.978 731 S CB 1.679 64.849 63.200 -0.050 0.000 1.073 731 S HN 0.330 nan 8.310 nan 0.000 0.491 732 E N 0.785 120.954 120.200 -0.052 0.000 2.447 732 E HA 0.264 4.614 4.350 0.001 0.000 0.195 732 E C 0.081 176.647 176.600 -0.057 0.000 1.028 732 E CA 0.403 56.770 56.400 -0.055 0.000 0.876 732 E CB 0.330 29.998 29.700 -0.053 0.000 0.885 732 E HN 0.476 nan 8.360 nan 0.000 0.500 733 M N 0.191 119.756 119.600 -0.058 0.000 2.484 733 M HA 0.440 4.920 4.480 0.001 0.000 0.289 733 M C -1.825 174.441 176.300 -0.057 0.000 1.206 733 M CA -0.871 54.394 55.300 -0.059 0.000 0.892 733 M CB 2.050 34.610 32.600 -0.066 0.000 1.712 733 M HN -0.291 nan 8.290 nan 0.000 0.462 734 V N 4.774 124.657 119.914 -0.052 0.000 2.686 734 V HA 0.403 4.523 4.120 0.001 0.000 0.306 734 V C -0.642 175.427 176.094 -0.042 0.000 1.065 734 V CA -0.640 61.633 62.300 -0.045 0.000 0.894 734 V CB 2.116 33.917 31.823 -0.036 0.000 1.004 734 V HN 0.796 nan 8.190 nan 0.000 0.424 735 L N 4.148 125.347 121.223 -0.041 0.000 2.449 735 L HA 0.359 4.699 4.340 0.001 0.000 0.255 735 L C 1.720 178.581 176.870 -0.015 0.000 1.167 735 L CA -0.256 54.564 54.840 -0.033 0.000 1.090 735 L CB 0.586 42.620 42.059 -0.041 0.000 1.385 735 L HN 0.853 nan 8.230 nan 0.000 0.411 736 A N 0.264 123.076 122.820 -0.013 0.000 2.194 736 A HA -0.228 4.093 4.320 0.001 0.000 0.220 736 A C 1.919 179.506 177.584 0.005 0.000 1.162 736 A CA 1.713 53.748 52.037 -0.004 0.000 0.674 736 A CB -0.230 18.767 19.000 -0.005 0.000 0.789 736 A HN 0.643 nan 8.150 nan 0.000 0.470 737 D N -1.433 118.969 120.400 0.004 0.000 2.271 737 D HA -0.010 4.631 4.640 0.001 0.000 0.206 737 D C 0.090 176.403 176.300 0.021 0.000 0.967 737 D CA 0.828 54.835 54.000 0.013 0.000 0.867 737 D CB -0.062 40.743 40.800 0.008 0.000 0.960 737 D HN 0.303 nan 8.370 nan 0.000 0.509 738 D N -0.434 119.978 120.400 0.019 0.000 3.077 738 D HA -0.198 4.442 4.640 0.001 0.000 0.212 738 D C -0.440 175.893 176.300 0.056 0.000 1.125 738 D CA 0.416 54.437 54.000 0.034 0.000 0.970 738 D CB -1.533 39.287 40.800 0.034 0.000 1.110 738 D HN 0.224 nan 8.370 nan 0.000 0.419 739 N N 0.401 119.126 118.700 0.042 0.000 2.482 739 N HA 0.079 4.819 4.740 0.001 0.000 0.242 739 N C 0.773 176.330 175.510 0.077 0.000 1.100 739 N CA -0.169 52.918 53.050 0.062 0.000 0.946 739 N CB -0.243 38.265 38.487 0.035 0.000 1.227 739 N HN 0.106 nan 8.380 nan 0.000 0.508 740 F N 3.152 123.091 119.950 -0.019 0.000 2.236 740 F HA -0.252 4.276 4.527 0.001 0.000 0.302 740 F C 2.351 178.139 175.800 -0.020 0.000 1.073 740 F CA 1.760 59.747 58.000 -0.022 0.000 1.336 740 F CB 0.124 39.108 39.000 -0.026 0.000 1.040 740 F HN 0.590 nan 8.300 nan 0.000 0.507 741 S N -2.063 113.725 115.700 0.147 0.000 2.522 741 S HA -0.114 4.357 4.470 0.001 0.000 0.227 741 S C 1.715 176.304 174.600 -0.018 0.000 0.986 741 S CA 1.161 59.406 58.200 0.075 0.000 0.929 741 S CB -0.845 62.403 63.200 0.079 0.000 0.769 741 S HN 0.338 nan 8.310 nan 0.000 0.529 742 T N 2.512 117.037 114.554 -0.048 0.000 3.007 742 T HA 0.188 4.538 4.350 0.001 0.000 0.270 742 T C 1.476 176.114 174.700 -0.103 0.000 1.107 742 T CA 0.944 63.007 62.100 -0.061 0.000 1.118 742 T CB -0.408 68.427 68.868 -0.055 0.000 0.889 742 T HN 0.461 nan 8.240 nan 0.000 0.506 743 I N 0.645 121.105 120.570 -0.182 0.000 2.202 743 I HA -0.134 4.037 4.170 0.001 0.000 0.242 743 I C 2.397 178.437 176.117 -0.130 0.000 1.091 743 I CA 0.926 62.096 61.300 -0.215 0.000 1.368 743 I CB -0.433 37.322 38.000 -0.408 0.000 1.058 743 I HN 0.080 nan 8.210 nan 0.000 0.410 744 V N 1.200 121.057 119.914 -0.095 0.000 2.392 744 V HA -0.305 3.815 4.120 0.001 0.000 0.249 744 V C 2.675 178.749 176.094 -0.033 0.000 1.059 744 V CA 2.001 64.275 62.300 -0.043 0.000 1.051 744 V CB -1.125 30.695 31.823 -0.006 0.000 0.658 744 V HN 0.501 nan 8.190 nan 0.000 0.455 745 A N -0.029 122.770 122.820 -0.035 0.000 1.897 745 A HA 0.007 4.328 4.320 0.001 0.000 0.215 745 A C 2.432 179.998 177.584 -0.029 0.000 1.181 745 A CA 1.733 53.755 52.037 -0.024 0.000 0.620 745 A CB -0.707 18.280 19.000 -0.021 0.000 0.821 745 A HN 0.550 nan 8.150 nan 0.000 0.443 746 A N -0.528 122.265 122.820 -0.045 0.000 1.933 746 A HA 0.007 4.327 4.320 0.001 0.000 0.218 746 A C 2.214 179.774 177.584 -0.039 0.000 1.175 746 A CA 1.779 53.789 52.037 -0.045 0.000 0.628 746 A CB -0.814 18.146 19.000 -0.065 0.000 0.814 746 A HN 0.351 nan 8.150 nan 0.000 0.444 747 V N -0.185 119.703 119.914 -0.044 0.000 2.307 747 V HA -0.252 3.868 4.120 0.001 0.000 0.245 747 V C 2.513 178.596 176.094 -0.017 0.000 1.045 747 V CA 2.272 64.550 62.300 -0.036 0.000 1.024 747 V CB -0.648 31.152 31.823 -0.039 0.000 0.651 747 V HN 0.787 nan 8.190 nan 0.000 0.449 748 E N 0.136 120.328 120.200 -0.013 0.000 2.058 748 E HA -0.322 4.028 4.350 0.001 0.000 0.194 748 E C 2.167 178.771 176.600 0.006 0.000 0.997 748 E CA 1.798 58.198 56.400 -0.001 0.000 0.801 748 E CB -0.095 29.604 29.700 -0.001 0.000 0.746 748 E HN 0.612 nan 8.360 nan 0.000 0.450 749 E N -0.046 120.154 120.200 -0.000 0.000 2.038 749 E HA -0.152 4.198 4.350 0.001 0.000 0.195 749 E C 1.952 178.563 176.600 0.019 0.000 1.000 749 E CA 1.922 58.326 56.400 0.006 0.000 0.803 749 E CB -0.915 28.783 29.700 -0.003 0.000 0.750 749 E HN 0.344 nan 8.360 nan 0.000 0.448 750 G N 0.156 108.962 108.800 0.010 0.000 2.442 750 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 750 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 750 G C 1.698 176.630 174.900 0.053 0.000 1.141 750 G CA 0.914 46.027 45.100 0.021 0.000 0.763 750 G HN 0.207 nan 8.290 nan 0.000 0.554 751 R N 0.311 120.836 120.500 0.042 0.000 2.066 751 R HA 0.080 4.420 4.340 0.001 0.000 0.232 751 R C 3.065 179.413 176.300 0.080 0.000 1.131 751 R CA 1.066 57.208 56.100 0.070 0.000 0.955 751 R CB -0.385 29.939 30.300 0.041 0.000 0.851 751 R HN 0.337 nan 8.270 nan 0.000 0.432 752 A N 1.412 124.262 122.820 0.051 0.000 1.933 752 A HA -0.141 4.180 4.320 0.001 0.000 0.218 752 A C 2.063 179.676 177.584 0.049 0.000 1.175 752 A CA 1.116 53.179 52.037 0.043 0.000 0.628 752 A CB -0.346 18.675 19.000 0.035 0.000 0.814 752 A HN 0.093 nan 8.150 nan 0.000 0.444 753 I N -1.736 118.872 120.570 0.064 0.000 2.163 753 I HA -0.203 3.967 4.170 0.001 0.000 0.240 753 I C 2.372 178.523 176.117 0.057 0.000 1.081 753 I CA 1.485 62.828 61.300 0.071 0.000 1.353 753 I CB -1.532 36.516 38.000 0.081 0.000 1.054 753 I HN 0.504 nan 8.210 nan 0.000 0.407 754 Y N 2.837 123.111 120.300 -0.045 0.000 2.114 754 Y HA -0.307 4.244 4.550 0.001 0.000 0.282 754 Y C 2.495 178.335 175.900 -0.100 0.000 1.165 754 Y CA 1.844 59.899 58.100 -0.075 0.000 1.148 754 Y CB -0.600 37.828 38.460 -0.054 0.000 0.972 754 Y HN 0.282 nan 8.280 nan 0.000 0.504 755 N N 0.424 119.052 118.700 -0.121 0.000 2.069 755 N HA -0.192 4.548 4.740 0.001 0.000 0.191 755 N C 1.428 176.805 175.510 -0.222 0.000 1.031 755 N CA 1.607 54.545 53.050 -0.187 0.000 0.852 755 N CB -0.713 37.741 38.487 -0.055 0.000 1.018 755 N HN 0.411 nan 8.380 nan 0.000 0.423 756 N N 0.689 119.302 118.700 -0.145 0.000 2.188 756 N HA -0.005 4.736 4.740 0.001 0.000 0.184 756 N C 1.788 177.092 175.510 -0.343 0.000 1.018 756 N CA 0.689 53.668 53.050 -0.118 0.000 0.858 756 N CB -0.215 38.282 38.487 0.016 0.000 0.989 756 N HN 0.320 nan 8.380 nan 0.000 0.426 757 M N 0.667 119.949 119.600 -0.530 0.000 2.099 757 M HA -0.108 4.372 4.480 0.001 0.000 0.262 757 M C 1.902 177.577 176.300 -1.041 0.000 1.067 757 M CA 1.351 55.949 55.300 -1.169 0.000 1.124 757 M CB -0.164 32.053 32.600 -0.639 0.000 1.353 757 M HN 0.042 nan 8.290 nan 0.000 0.410 758 K N -0.180 119.786 120.400 -0.724 0.000 2.044 758 K HA -0.218 4.102 4.320 0.001 0.000 0.210 758 K C 2.142 178.520 176.600 -0.371 0.000 1.049 758 K CA 1.388 57.342 56.287 -0.556 0.000 0.927 758 K CB -0.131 32.035 32.500 -0.558 0.000 0.713 758 K HN 0.268 nan 8.250 nan 0.000 0.443 759 Q N 0.022 119.636 119.800 -0.310 0.000 2.030 759 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 759 Q C 2.112 178.078 176.000 -0.057 0.000 0.986 759 Q CA 1.735 57.455 55.803 -0.137 0.000 0.843 759 Q CB -0.486 28.200 28.738 -0.087 0.000 0.904 759 Q HN 0.498 nan 8.270 nan 0.000 0.420 760 F N -0.610 119.293 119.950 -0.078 0.000 2.325 760 F HA -0.009 4.518 4.527 0.001 0.000 0.299 760 F C 1.750 177.536 175.800 -0.023 0.000 1.090 760 F CA 0.282 58.257 58.000 -0.042 0.000 1.392 760 F CB -0.679 38.263 39.000 -0.098 0.000 1.053 760 F HN -0.092 nan 8.300 nan 0.000 0.521 761 I N 1.294 121.774 120.570 -0.149 0.000 2.179 761 I HA -0.214 3.956 4.170 0.001 0.000 0.242 761 I C 2.570 178.633 176.117 -0.091 0.000 1.088 761 I CA 1.327 62.571 61.300 -0.094 0.000 1.357 761 I CB -1.248 36.591 38.000 -0.269 0.000 1.051 761 I HN 0.212 nan 8.210 nan 0.000 0.409 762 R N -0.381 120.066 120.500 -0.088 0.000 2.083 762 R HA -0.250 4.090 4.340 0.001 0.000 0.237 762 R C 2.386 178.574 176.300 -0.187 0.000 1.137 762 R CA 1.840 57.896 56.100 -0.074 0.000 0.951 762 R CB -0.719 29.647 30.300 0.111 0.000 0.851 762 R HN 0.296 nan 8.270 nan 0.000 0.434 763 Y N 1.429 121.629 120.300 -0.166 0.000 2.030 763 Y HA -0.304 4.247 4.550 0.001 0.000 0.274 763 Y C 1.935 177.716 175.900 -0.198 0.000 1.153 763 Y CA 1.669 59.664 58.100 -0.176 0.000 1.115 763 Y CB -0.603 37.821 38.460 -0.061 0.000 0.969 763 Y HN -0.085 nan 8.280 nan 0.000 0.488 764 L N 0.179 121.301 121.223 -0.169 0.000 1.989 764 L HA -0.278 4.062 4.340 0.001 0.000 0.211 764 L C 2.427 179.129 176.870 -0.279 0.000 1.071 764 L CA 1.555 56.239 54.840 -0.259 0.000 0.749 764 L CB -1.274 40.744 42.059 -0.067 0.000 0.890 764 L HN 0.337 nan 8.230 nan 0.000 0.431 765 I N -1.439 118.977 120.570 -0.257 0.000 2.454 765 I HA -0.250 3.920 4.170 0.001 0.000 0.254 765 I C 2.662 178.601 176.117 -0.296 0.000 1.156 765 I CA 1.208 62.357 61.300 -0.253 0.000 1.433 765 I CB -1.544 36.268 38.000 -0.313 0.000 1.082 765 I HN 0.294 nan 8.210 nan 0.000 0.432 766 S N 1.333 116.748 115.700 -0.474 0.000 2.344 766 S HA -0.182 4.288 4.470 0.001 0.000 0.217 766 S C 2.357 176.718 174.600 -0.397 0.000 1.033 766 S CA 2.339 60.170 58.200 -0.615 0.000 1.017 766 S CB -0.305 62.339 63.200 -0.927 0.000 0.941 766 S HN 0.636 nan 8.310 nan 0.000 0.430 767 S N 1.204 116.656 115.700 -0.414 0.000 2.419 767 S HA -0.120 4.351 4.470 0.001 0.000 0.235 767 S C 1.567 176.051 174.600 -0.193 0.000 1.019 767 S CA 1.572 59.591 58.200 -0.301 0.000 0.982 767 S CB -1.083 61.896 63.200 -0.368 0.000 0.789 767 S HN 0.699 nan 8.310 nan 0.000 0.490 768 N N 0.949 119.543 118.700 -0.177 0.000 2.166 768 N HA -0.048 4.692 4.740 0.001 0.000 0.186 768 N C 1.534 177.004 175.510 -0.068 0.000 1.019 768 N CA 1.243 54.241 53.050 -0.087 0.000 0.856 768 N CB -0.304 38.162 38.487 -0.034 0.000 0.993 768 N HN 0.264 nan 8.380 nan 0.000 0.426 769 V N 0.416 120.268 119.914 -0.103 0.000 2.307 769 V HA -0.137 3.984 4.120 0.001 0.000 0.245 769 V C 2.392 178.438 176.094 -0.080 0.000 1.045 769 V CA 2.060 64.304 62.300 -0.093 0.000 1.024 769 V CB -1.080 30.662 31.823 -0.135 0.000 0.651 769 V HN 0.412 nan 8.190 nan 0.000 0.449 770 G N -0.794 107.951 108.800 -0.091 0.000 2.408 770 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 770 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 770 G C 1.472 176.351 174.900 -0.034 0.000 1.150 770 G CA 0.729 45.794 45.100 -0.058 0.000 0.776 770 G HN 0.559 nan 8.290 nan 0.000 0.542 771 E N -0.141 120.034 120.200 -0.041 0.000 2.077 771 E HA -0.085 4.265 4.350 0.001 0.000 0.193 771 E C 2.687 179.292 176.600 0.009 0.000 0.989 771 E CA 0.957 57.346 56.400 -0.017 0.000 0.800 771 E CB -0.061 29.625 29.700 -0.024 0.000 0.746 771 E HN 0.314 nan 8.360 nan 0.000 0.452 772 V N 0.685 120.602 119.914 0.006 0.000 2.626 772 V HA -0.181 3.940 4.120 0.001 0.000 0.252 772 V C 2.203 178.341 176.094 0.075 0.000 1.067 772 V CA 0.988 63.309 62.300 0.035 0.000 1.081 772 V CB -0.141 31.688 31.823 0.011 0.000 0.686 772 V HN 0.129 nan 8.190 nan 0.000 0.468 773 V N -0.694 119.243 119.914 0.039 0.000 2.379 773 V HA -0.271 3.850 4.120 0.001 0.000 0.245 773 V C 2.570 178.739 176.094 0.125 0.000 1.044 773 V CA 2.115 64.455 62.300 0.068 0.000 1.036 773 V CB -0.509 31.319 31.823 0.009 0.000 0.664 773 V HN 0.788 nan 8.190 nan 0.000 0.453 774 C N 0.355 119.697 119.300 0.069 0.000 2.413 774 C HA -0.153 4.307 4.460 0.001 0.000 0.276 774 C C 2.577 177.612 174.990 0.075 0.000 1.248 774 C CA 0.878 59.931 59.018 0.059 0.000 1.742 774 C CB -0.993 26.762 27.740 0.025 0.000 2.017 774 C HN 0.509 nan 8.230 nan 0.000 0.481 775 I N 0.245 120.864 120.570 0.080 0.000 2.252 775 I HA -0.055 4.115 4.170 0.001 0.000 0.245 775 I C 2.334 178.504 176.117 0.088 0.000 1.102 775 I CA 1.523 62.862 61.300 0.066 0.000 1.385 775 I CB -1.828 36.206 38.000 0.057 0.000 1.064 775 I HN 0.376 nan 8.210 nan 0.000 0.414 776 F N 1.940 121.894 119.950 0.007 0.000 2.051 776 F HA -0.214 4.313 4.527 0.000 0.000 0.296 776 F C 2.469 178.284 175.800 0.025 0.000 1.122 776 F CA 1.699 59.709 58.000 0.016 0.000 1.201 776 F CB -0.401 38.608 39.000 0.015 0.000 0.978 776 F HN -0.114 nan 8.300 nan 0.000 0.472 777 L N -0.025 121.325 121.223 0.213 0.000 1.997 777 L HA -0.322 4.018 4.340 0.001 0.000 0.216 777 L C 2.667 179.536 176.870 -0.001 0.000 1.074 777 L CA 2.267 57.176 54.840 0.114 0.000 0.763 777 L CB -1.550 40.593 42.059 0.140 0.000 0.890 777 L HN 0.395 nan 8.230 nan 0.000 0.434 778 T N -2.399 112.162 114.554 0.011 0.000 2.746 778 T HA -0.167 4.183 4.350 0.001 0.000 0.267 778 T C 1.844 176.528 174.700 -0.027 0.000 1.039 778 T CA 1.030 63.131 62.100 0.002 0.000 1.142 778 T CB -0.509 68.368 68.868 0.015 0.000 0.866 778 T HN 0.339 nan 8.240 nan 0.000 0.444 779 A N 1.024 123.794 122.820 -0.083 0.000 2.172 779 A HA 0.555 4.875 4.320 0.001 0.000 0.216 779 A C 2.517 179.985 177.584 -0.194 0.000 1.154 779 A CA 1.327 53.298 52.037 -0.109 0.000 0.701 779 A CB -0.896 18.012 19.000 -0.153 0.000 0.789 779 A HN 0.763 nan 8.150 nan 0.000 0.465 780 A N -0.939 121.719 122.820 -0.269 0.000 1.920 780 A HA 0.338 4.658 4.320 0.001 0.000 0.209 780 A C 1.530 179.042 177.584 -0.119 0.000 1.229 780 A CA 0.655 52.528 52.037 -0.275 0.000 0.671 780 A CB -0.272 18.497 19.000 -0.386 0.000 0.886 780 A HN 0.333 nan 8.150 nan 0.000 0.461 781 L N -0.110 121.078 121.223 -0.057 0.000 2.610 781 L HA 0.212 4.552 4.340 0.001 0.000 0.232 781 L C 1.879 178.694 176.870 -0.092 0.000 1.149 781 L CA 1.195 56.026 54.840 -0.015 0.000 0.872 781 L CB -0.632 41.476 42.059 0.082 0.000 0.992 781 L HN 0.644 nan 8.230 nan 0.000 0.447 782 G N -1.341 107.418 108.800 -0.069 0.000 2.212 782 G HA2 -0.310 3.650 3.960 0.001 0.000 0.266 782 G HA3 -0.310 3.650 3.960 0.001 0.000 0.266 782 G C 0.414 175.345 174.900 0.052 0.000 0.978 782 G CA 0.229 45.308 45.100 -0.036 0.000 0.632 782 G HN 0.219 nan 8.290 nan 0.000 0.537 783 L N 2.773 123.964 121.223 -0.053 0.000 2.503 783 L HA 0.305 4.645 4.340 0.001 0.000 0.287 783 L C -0.743 175.946 176.870 -0.301 0.000 1.252 783 L CA -0.621 54.115 54.840 -0.174 0.000 0.835 783 L CB -0.113 41.909 42.059 -0.062 0.000 1.099 783 L HN 0.110 nan 8.230 nan 0.000 0.516 784 P HA 0.056 nan 4.420 nan 0.000 0.274 784 P C -1.009 176.218 177.300 -0.122 0.000 1.246 784 P CA -0.589 62.078 63.100 -0.722 0.000 0.795 784 P CB 0.373 31.521 31.700 -0.920 0.000 1.006 785 E N 0.147 120.361 120.200 0.024 0.000 2.328 785 E HA 0.147 4.497 4.350 0.001 0.000 0.265 785 E C 0.994 177.613 176.600 0.032 0.000 1.057 785 E CA -0.175 56.254 56.400 0.048 0.000 0.916 785 E CB 0.279 30.025 29.700 0.077 0.000 0.993 785 E HN 0.390 nan 8.360 nan 0.000 0.446 786 A N 4.935 127.767 122.820 0.020 0.000 2.030 786 A HA 0.106 4.427 4.320 0.001 0.000 0.215 786 A C 0.576 178.158 177.584 -0.003 0.000 1.164 786 A CA 0.570 52.610 52.037 0.004 0.000 0.697 786 A CB 0.309 19.315 19.000 0.010 0.000 0.827 786 A HN 0.501 nan 8.150 nan 0.000 0.457 787 L N 0.452 121.683 121.223 0.013 0.000 2.422 787 L HA 0.576 4.917 4.340 0.001 0.000 0.264 787 L C -0.885 176.005 176.870 0.033 0.000 0.984 787 L CA -0.833 54.022 54.840 0.024 0.000 0.819 787 L CB 2.220 44.293 42.059 0.025 0.000 1.330 787 L HN 0.407 nan 8.230 nan 0.000 0.410 788 I N -0.693 119.906 120.570 0.048 0.000 2.646 788 I HA 0.512 4.682 4.170 0.001 0.000 0.299 788 I C -1.861 174.295 176.117 0.064 0.000 1.036 788 I CA -2.154 59.172 61.300 0.045 0.000 1.074 788 I CB 2.164 40.188 38.000 0.041 0.000 1.258 788 I HN 0.330 nan 8.210 nan 0.000 0.430 789 P HA -0.225 nan 4.420 nan 0.000 0.218 789 P C 1.637 178.994 177.300 0.096 0.000 1.152 789 P CA 1.502 64.638 63.100 0.060 0.000 0.857 789 P CB -0.008 31.712 31.700 0.034 0.000 0.787 790 V N 0.273 120.235 119.914 0.079 0.000 2.469 790 V HA -0.241 3.880 4.120 0.001 0.000 0.251 790 V C 2.697 178.976 176.094 0.308 0.000 1.064 790 V CA 2.017 64.366 62.300 0.082 0.000 1.066 790 V CB -1.483 30.297 31.823 -0.072 0.000 0.667 790 V HN 0.218 nan 8.190 nan 0.000 0.461 791 Q N -0.539 119.438 119.800 0.295 0.000 2.204 791 Q HA 0.106 4.447 4.340 0.001 0.000 0.198 791 Q C 2.285 178.450 176.000 0.274 0.000 0.946 791 Q CA 0.776 56.788 55.803 0.349 0.000 0.859 791 Q CB -0.118 28.750 28.738 0.217 0.000 0.946 791 Q HN 0.497 nan 8.270 nan 0.000 0.474 792 L N 0.632 121.962 121.223 0.179 0.000 2.046 792 L HA -0.191 4.150 4.340 0.001 0.000 0.208 792 L C 2.276 179.227 176.870 0.135 0.000 1.077 792 L CA 1.084 55.998 54.840 0.122 0.000 0.747 792 L CB -0.435 41.670 42.059 0.076 0.000 0.896 792 L HN 0.256 nan 8.230 nan 0.000 0.432 793 L N -1.344 119.983 121.223 0.174 0.000 2.027 793 L HA -0.250 4.091 4.340 0.001 0.000 0.206 793 L C 2.524 179.517 176.870 0.204 0.000 1.074 793 L CA 1.382 56.318 54.840 0.160 0.000 0.745 793 L CB -0.764 41.392 42.059 0.163 0.000 0.898 793 L HN 0.526 nan 8.230 nan 0.000 0.433 794 W N 0.801 122.202 121.300 0.169 0.000 2.342 794 W HA -0.195 4.465 4.660 0.000 0.000 0.297 794 W C 2.002 178.564 176.519 0.072 0.000 1.213 794 W CA 1.774 59.215 57.345 0.161 0.000 1.251 794 W CB -0.046 29.546 29.460 0.220 0.000 1.136 794 W HN -0.031 nan 8.180 nan 0.000 0.526 795 V N 1.436 121.432 119.914 0.137 0.000 2.407 795 V HA -0.287 3.834 4.120 0.001 0.000 0.245 795 V C 2.052 178.103 176.094 -0.072 0.000 1.041 795 V CA 2.072 64.379 62.300 0.012 0.000 1.040 795 V CB -1.049 30.823 31.823 0.081 0.000 0.671 795 V HN 0.068 nan 8.190 nan 0.000 0.455 796 N N 0.054 118.733 118.700 -0.036 0.000 2.381 796 N HA -0.024 4.716 4.740 0.001 0.000 0.182 796 N C 1.570 177.027 175.510 -0.088 0.000 1.025 796 N CA 1.143 54.159 53.050 -0.058 0.000 0.888 796 N CB -0.115 38.358 38.487 -0.023 0.000 0.965 796 N HN 0.423 nan 8.380 nan 0.000 0.438 797 L N -1.282 119.867 121.223 -0.124 0.000 2.388 797 L HA 0.142 4.483 4.340 0.001 0.000 0.209 797 L C 1.593 178.304 176.870 -0.266 0.000 1.061 797 L CA 0.273 55.015 54.840 -0.163 0.000 0.834 797 L CB 0.203 42.185 42.059 -0.129 0.000 1.029 797 L HN -0.086 nan 8.230 nan 0.000 0.473 798 V N -1.648 118.003 119.914 -0.438 0.000 2.939 798 V HA -0.059 4.062 4.120 0.001 0.000 0.228 798 V C 2.334 178.215 176.094 -0.356 0.000 1.162 798 V CA 1.359 63.335 62.300 -0.539 0.000 1.222 798 V CB -0.205 30.930 31.823 -1.148 0.000 1.053 798 V HN 0.237 nan 8.190 nan 0.000 0.504 799 T N 0.671 115.006 114.554 -0.366 0.000 2.649 799 T HA -0.257 4.093 4.350 0.001 0.000 0.268 799 T C 1.411 176.085 174.700 -0.043 0.000 1.036 799 T CA 2.267 64.299 62.100 -0.113 0.000 1.157 799 T CB -0.298 68.564 68.868 -0.008 0.000 0.861 799 T HN 0.437 nan 8.240 nan 0.000 0.445 800 D N 0.066 120.439 120.400 -0.044 0.000 2.324 800 D HA 0.157 4.797 4.640 0.001 0.000 0.212 800 D C 2.421 178.743 176.300 0.037 0.000 0.984 800 D CA 0.755 54.799 54.000 0.074 0.000 0.885 800 D CB -0.761 40.050 40.800 0.019 0.000 0.996 800 D HN 0.447 nan 8.370 nan 0.000 0.505 801 G N 1.394 110.145 108.800 -0.081 0.000 2.469 801 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 801 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 801 G C 1.733 176.536 174.900 -0.162 0.000 1.136 801 G CA 0.496 45.515 45.100 -0.135 0.000 0.759 801 G HN 0.230 nan 8.290 nan 0.000 0.562 802 L N 0.591 121.734 121.223 -0.133 0.000 2.027 802 L HA -0.015 4.325 4.340 0.001 0.000 0.206 802 L C 0.070 176.857 176.870 -0.139 0.000 1.074 802 L CA 1.009 55.774 54.840 -0.124 0.000 0.745 802 L CB -1.075 40.938 42.059 -0.077 0.000 0.898 802 L HN 0.165 nan 8.230 nan 0.000 0.433 803 P HA -0.114 nan 4.420 nan 0.000 0.218 803 P C 1.437 178.565 177.300 -0.286 0.000 1.149 803 P CA 1.473 64.466 63.100 -0.178 0.000 0.817 803 P CB 0.019 31.612 31.700 -0.179 0.000 0.785 804 A N -0.842 121.829 122.820 -0.248 0.000 1.908 804 A HA -0.198 4.122 4.320 0.001 0.000 0.218 804 A C 2.235 179.533 177.584 -0.477 0.000 1.181 804 A CA 2.398 54.272 52.037 -0.273 0.000 0.627 804 A CB -1.876 17.013 19.000 -0.184 0.000 0.818 804 A HN 0.142 nan 8.150 nan 0.000 0.445 805 T N 0.060 114.296 114.554 -0.529 0.000 2.821 805 T HA 0.044 4.395 4.350 0.001 0.000 0.267 805 T C 2.157 176.313 174.700 -0.907 0.000 1.046 805 T CA 1.347 63.025 62.100 -0.704 0.000 1.139 805 T CB -0.372 68.173 68.868 -0.538 0.000 0.871 805 T HN 0.590 nan 8.240 nan 0.000 0.454 806 A N 0.871 123.356 122.820 -0.558 0.000 2.070 806 A HA 0.083 4.403 4.320 0.001 0.000 0.220 806 A C 2.170 179.596 177.584 -0.263 0.000 1.159 806 A CA 0.969 52.788 52.037 -0.363 0.000 0.656 806 A CB -0.667 18.305 19.000 -0.048 0.000 0.800 806 A HN 0.487 nan 8.150 nan 0.000 0.453 807 L N -1.215 119.852 121.223 -0.259 0.000 2.341 807 L HA -0.001 4.339 4.340 0.001 0.000 0.214 807 L C 2.544 179.392 176.870 -0.036 0.000 1.115 807 L CA 0.662 55.439 54.840 -0.105 0.000 0.820 807 L CB -0.347 41.667 42.059 -0.074 0.000 0.944 807 L HN 0.488 nan 8.230 nan 0.000 0.452 808 G N -0.615 108.089 108.800 -0.160 0.000 2.598 808 G HA2 -0.191 3.769 3.960 0.001 0.000 0.215 808 G HA3 -0.191 3.769 3.960 0.001 0.000 0.215 808 G C 0.851 175.792 174.900 0.070 0.000 1.131 808 G CA 0.079 45.169 45.100 -0.015 0.000 0.785 808 G HN 0.244 nan 8.290 nan 0.000 0.539 809 F N 0.552 120.454 119.950 -0.078 0.000 2.647 809 F HA 0.352 4.880 4.527 0.001 0.000 0.300 809 F C 0.411 176.181 175.800 -0.050 0.000 1.106 809 F CA -2.038 55.866 58.000 -0.160 0.000 1.313 809 F CB -0.921 37.837 39.000 -0.404 0.000 1.007 809 F HN -0.114 nan 8.300 nan 0.000 0.536 810 N N 3.957 122.738 118.700 0.135 0.000 2.447 810 N HA 0.044 4.785 4.740 0.001 0.000 0.263 810 N C -2.378 173.184 175.510 0.088 0.000 1.226 810 N CA -0.982 52.124 53.050 0.093 0.000 0.906 810 N CB 0.225 38.736 38.487 0.041 0.000 1.060 810 N HN -0.014 nan 8.380 nan 0.000 0.468 811 P HA 0.074 nan 4.420 nan 0.000 0.265 811 P C -2.480 174.848 177.300 0.047 0.000 1.193 811 P CA -0.796 62.347 63.100 0.072 0.000 0.765 811 P CB 0.123 31.870 31.700 0.079 0.000 0.823 812 P HA 0.164 nan 4.420 nan 0.000 0.276 812 P C -0.241 177.073 177.300 0.024 0.000 1.252 812 P CA -0.177 62.941 63.100 0.029 0.000 0.802 812 P CB 0.786 32.503 31.700 0.028 0.000 1.035 813 D N 0.579 120.990 120.400 0.019 0.000 2.362 813 D HA 0.028 4.669 4.640 0.001 0.000 0.238 813 D C 1.555 177.864 176.300 0.016 0.000 1.212 813 D CA -0.086 53.923 54.000 0.015 0.000 0.902 813 D CB 0.836 41.642 40.800 0.011 0.000 1.180 813 D HN 0.312 nan 8.370 nan 0.000 0.445 814 L N 0.327 121.558 121.223 0.014 0.000 2.478 814 L HA -0.072 4.268 4.340 0.001 0.000 0.223 814 L C 1.010 177.886 176.870 0.011 0.000 1.140 814 L CA 0.696 55.544 54.840 0.014 0.000 0.842 814 L CB -0.246 41.821 42.059 0.014 0.000 0.953 814 L HN 0.360 nan 8.230 nan 0.000 0.452 815 D N -1.163 119.243 120.400 0.010 0.000 2.720 815 D HA -0.006 4.635 4.640 0.001 0.000 0.285 815 D C 1.460 177.766 176.300 0.010 0.000 1.359 815 D CA -0.353 53.652 54.000 0.008 0.000 0.818 815 D CB 0.050 40.853 40.800 0.005 0.000 1.108 815 D HN 0.050 nan 8.370 nan 0.000 0.474 816 I N 0.200 120.777 120.570 0.012 0.000 2.315 816 I HA -0.176 3.995 4.170 0.001 0.000 0.251 816 I C 1.163 177.288 176.117 0.013 0.000 1.125 816 I CA 1.479 62.788 61.300 0.015 0.000 1.392 816 I CB -0.031 37.980 38.000 0.018 0.000 1.065 816 I HN 0.038 nan 8.210 nan 0.000 0.424 817 M N -0.022 119.584 119.600 0.010 0.000 2.655 817 M HA 0.205 4.686 4.480 0.001 0.000 0.311 817 M C -0.294 176.009 176.300 0.005 0.000 1.229 817 M CA 0.318 55.622 55.300 0.007 0.000 0.972 817 M CB -0.413 32.191 32.600 0.006 0.000 1.366 817 M HN 0.192 nan 8.290 nan 0.000 0.500 818 D N 1.721 122.125 120.400 0.006 0.000 2.804 818 D HA 0.231 4.871 4.640 0.001 0.000 0.308 818 D C 0.151 176.453 176.300 0.003 0.000 1.371 818 D CA 0.027 54.029 54.000 0.004 0.000 0.823 818 D CB 1.076 41.878 40.800 0.003 0.000 1.126 818 D HN 0.416 nan 8.370 nan 0.000 0.467 819 R N -0.536 119.966 120.500 0.004 0.000 2.734 819 R HA 0.554 4.894 4.340 0.001 0.000 0.271 819 R C -3.358 172.944 176.300 0.003 0.000 1.021 819 R CA -1.384 54.718 56.100 0.004 0.000 0.893 819 R CB 1.353 31.657 30.300 0.007 0.000 1.244 819 R HN -0.276 nan 8.270 nan 0.000 0.464 820 P HA 0.305 nan 4.420 nan 0.000 0.276 820 P C -2.509 174.792 177.300 0.001 0.000 1.261 820 P CA -1.583 61.516 63.100 -0.001 0.000 0.800 820 P CB -0.024 31.675 31.700 -0.002 0.000 1.066 821 P HA 0.186 nan 4.420 nan 0.000 0.271 821 P C -0.194 177.102 177.300 -0.006 0.000 1.218 821 P CA -0.042 63.050 63.100 -0.013 0.000 0.780 821 P CB 0.240 31.924 31.700 -0.027 0.000 0.901 822 R N 0.892 121.391 120.500 -0.002 0.000 2.531 822 R HA 0.475 4.816 4.340 0.001 0.000 0.273 822 R C 0.162 176.457 176.300 -0.009 0.000 1.070 822 R CA -0.469 55.642 56.100 0.019 0.000 1.112 822 R CB -0.091 30.256 30.300 0.079 0.000 1.049 822 R HN 0.313 nan 8.270 nan 0.000 0.508 823 S N 2.069 117.775 115.700 0.010 0.000 2.560 823 S HA 0.123 4.593 4.470 0.001 0.000 0.284 823 S C -1.590 173.003 174.600 -0.011 0.000 1.327 823 S CA -1.231 56.971 58.200 0.003 0.000 1.055 823 S CB 0.512 63.724 63.200 0.020 0.000 0.868 823 S HN 0.671 nan 8.310 nan 0.000 0.506 824 P HA -0.021 nan 4.420 nan 0.000 0.217 824 P C 0.964 178.265 177.300 0.001 0.000 1.151 824 P CA 0.948 64.022 63.100 -0.043 0.000 0.828 824 P CB 0.125 31.802 31.700 -0.039 0.000 0.788 825 K N 0.196 120.606 120.400 0.016 0.000 2.362 825 K HA -0.090 4.230 4.320 0.001 0.000 0.200 825 K C 0.831 177.459 176.600 0.046 0.000 1.046 825 K CA 0.320 56.625 56.287 0.031 0.000 0.952 825 K CB -0.961 31.556 32.500 0.028 0.000 0.753 825 K HN 0.383 nan 8.250 nan 0.000 0.466 826 E N 3.739 123.971 120.200 0.053 0.000 2.694 826 E HA -0.052 4.298 4.350 0.001 0.000 0.250 826 E C -2.038 174.614 176.600 0.087 0.000 0.963 826 E CA -1.096 55.346 56.400 0.071 0.000 0.949 826 E CB 0.382 30.135 29.700 0.088 0.000 0.911 826 E HN 0.013 nan 8.360 nan 0.000 0.500 827 P HA 0.019 nan 4.420 nan 0.000 0.278 827 P C 0.252 177.598 177.300 0.076 0.000 1.238 827 P CA -0.320 62.829 63.100 0.081 0.000 0.794 827 P CB 1.064 32.813 31.700 0.082 0.000 0.955 828 L N 1.959 123.221 121.223 0.064 0.000 2.179 828 L HA 0.121 4.462 4.340 0.001 0.000 0.208 828 L C 1.137 178.043 176.870 0.061 0.000 1.096 828 L CA 1.504 56.361 54.840 0.028 0.000 0.779 828 L CB -0.426 41.619 42.059 -0.023 0.000 0.922 828 L HN 0.390 nan 8.230 nan 0.000 0.443 829 I N -1.144 119.491 120.570 0.108 0.000 2.548 829 I HA 0.431 4.601 4.170 0.001 0.000 0.287 829 I C -0.533 175.720 176.117 0.226 0.000 1.103 829 I CA -0.237 61.155 61.300 0.154 0.000 1.049 829 I CB 1.881 40.005 38.000 0.205 0.000 1.232 829 I HN 0.012 nan 8.210 nan 0.000 0.429 830 S N 3.275 119.103 115.700 0.215 0.000 2.669 830 S HA 0.832 5.302 4.470 0.001 0.000 0.266 830 S C 0.102 174.821 174.600 0.198 0.000 1.149 830 S CA -0.297 58.036 58.200 0.221 0.000 0.842 830 S CB 0.904 64.170 63.200 0.111 0.000 1.160 830 S HN 1.480 nan 8.310 nan 0.000 0.487 831 G N 1.340 110.218 108.800 0.130 0.000 2.627 831 G HA2 -0.387 3.573 3.960 0.001 0.000 0.312 831 G HA3 -0.387 3.573 3.960 0.001 0.000 0.312 831 G C 0.876 175.963 174.900 0.311 0.000 1.299 831 G CA 0.809 46.011 45.100 0.170 0.000 0.989 831 G HN 1.355 nan 8.290 nan 0.000 0.547 832 W N -0.058 121.298 121.300 0.093 0.000 2.315 832 W HA -0.163 4.497 4.660 0.001 0.000 0.323 832 W C 2.603 179.208 176.519 0.145 0.000 1.233 832 W CA 2.112 59.537 57.345 0.135 0.000 1.267 832 W CB -0.466 29.040 29.460 0.077 0.000 1.160 832 W HN 0.456 nan 8.180 nan 0.000 0.474 833 L N 0.696 121.961 121.223 0.071 0.000 2.051 833 L HA -0.275 4.065 4.340 0.001 0.000 0.214 833 L C 2.470 179.174 176.870 -0.278 0.000 1.076 833 L CA 2.355 57.035 54.840 -0.267 0.000 0.758 833 L CB -1.572 40.359 42.059 -0.213 0.000 0.890 833 L HN 0.113 nan 8.230 nan 0.000 0.433 834 F N -1.097 118.781 119.950 -0.120 0.000 2.091 834 F HA -0.343 4.184 4.527 0.001 0.000 0.299 834 F C 2.265 178.037 175.800 -0.047 0.000 1.103 834 F CA 1.979 59.962 58.000 -0.028 0.000 1.228 834 F CB -0.464 38.567 39.000 0.052 0.000 0.984 834 F HN 0.216 nan 8.300 nan 0.000 0.477 835 F N 1.301 121.277 119.950 0.042 0.000 2.134 835 F HA -0.099 4.429 4.527 0.001 0.000 0.299 835 F C 2.412 177.991 175.800 -0.368 0.000 1.097 835 F CA 1.637 59.555 58.000 -0.137 0.000 1.264 835 F CB -0.709 38.154 39.000 -0.228 0.000 1.001 835 F HN -0.169 nan 8.300 nan 0.000 0.479 836 R N -0.845 119.212 120.500 -0.738 0.000 2.083 836 R HA -0.216 4.124 4.340 0.001 0.000 0.237 836 R C 2.313 178.335 176.300 -0.463 0.000 1.137 836 R CA 2.265 57.896 56.100 -0.783 0.000 0.951 836 R CB -0.969 28.891 30.300 -0.733 0.000 0.851 836 R HN 0.422 nan 8.270 nan 0.000 0.434 837 Y N -0.710 119.361 120.300 -0.381 0.000 2.439 837 Y HA -0.143 4.408 4.550 0.001 0.000 0.292 837 Y C 2.359 178.041 175.900 -0.364 0.000 1.130 837 Y CA -0.135 57.772 58.100 -0.322 0.000 1.254 837 Y CB 0.057 38.352 38.460 -0.276 0.000 1.000 837 Y HN 0.085 nan 8.280 nan 0.000 0.554 838 M N 0.344 119.762 119.600 -0.304 0.000 2.132 838 M HA -0.120 4.361 4.480 0.001 0.000 0.263 838 M C 2.253 178.389 176.300 -0.273 0.000 1.065 838 M CA 1.891 57.010 55.300 -0.303 0.000 1.122 838 M CB -0.366 32.099 32.600 -0.225 0.000 1.365 838 M HN 0.144 nan 8.290 nan 0.000 0.411 839 A N -0.048 122.500 122.820 -0.453 0.000 1.898 839 A HA -0.030 4.290 4.320 0.001 0.000 0.214 839 A C 2.000 179.475 177.584 -0.182 0.000 1.183 839 A CA 1.256 53.063 52.037 -0.382 0.000 0.622 839 A CB -0.800 17.799 19.000 -0.667 0.000 0.824 839 A HN 0.482 nan 8.150 nan 0.000 0.444 840 I N 0.314 120.775 120.570 -0.182 0.000 2.179 840 I HA -0.199 3.971 4.170 0.001 0.000 0.242 840 I C 2.680 178.785 176.117 -0.020 0.000 1.088 840 I CA 1.553 62.803 61.300 -0.083 0.000 1.357 840 I CB -1.998 35.974 38.000 -0.048 0.000 1.051 840 I HN 0.348 nan 8.210 nan 0.000 0.409 841 G N 0.868 109.625 108.800 -0.071 0.000 2.480 841 G HA2 -0.228 3.732 3.960 0.001 0.000 0.216 841 G HA3 -0.228 3.732 3.960 0.001 0.000 0.216 841 G C 1.771 176.655 174.900 -0.027 0.000 1.200 841 G CA 1.044 46.103 45.100 -0.069 0.000 0.782 841 G HN 0.464 nan 8.290 nan 0.000 0.554 842 G N -0.099 108.680 108.800 -0.035 0.000 2.513 842 G HA2 -0.348 3.613 3.960 0.001 0.000 0.219 842 G HA3 -0.348 3.613 3.960 0.001 0.000 0.219 842 G C 1.688 176.604 174.900 0.027 0.000 1.160 842 G CA 1.255 46.349 45.100 -0.009 0.000 0.767 842 G HN 0.483 nan 8.290 nan 0.000 0.571 843 Y N 0.925 121.181 120.300 -0.073 0.000 2.256 843 Y HA -0.138 4.412 4.550 0.001 0.000 0.288 843 Y C 2.764 178.633 175.900 -0.051 0.000 1.155 843 Y CA 1.592 59.657 58.100 -0.059 0.000 1.203 843 Y CB 0.023 38.441 38.460 -0.071 0.000 0.980 843 Y HN 0.072 nan 8.280 nan 0.000 0.530 844 V N -0.524 119.451 119.914 0.102 0.000 2.302 844 V HA -0.182 3.939 4.120 0.001 0.000 0.243 844 V C 2.633 178.703 176.094 -0.041 0.000 1.036 844 V CA 1.789 64.106 62.300 0.030 0.000 1.020 844 V CB -1.477 30.358 31.823 0.020 0.000 0.657 844 V HN 0.556 nan 8.190 nan 0.000 0.453 845 G N -0.130 108.657 108.800 -0.023 0.000 2.469 845 G HA2 -0.267 3.693 3.960 0.001 0.000 0.219 845 G HA3 -0.267 3.693 3.960 0.001 0.000 0.219 845 G C 1.745 176.630 174.900 -0.025 0.000 1.150 845 G CA 1.295 46.391 45.100 -0.006 0.000 0.763 845 G HN 0.610 nan 8.290 nan 0.000 0.561 846 A N 1.017 123.796 122.820 -0.067 0.000 1.898 846 A HA 0.339 4.659 4.320 0.001 0.000 0.216 846 A C 2.832 180.327 177.584 -0.149 0.000 1.181 846 A CA 2.210 54.190 52.037 -0.095 0.000 0.620 846 A CB -0.796 18.124 19.000 -0.133 0.000 0.819 846 A HN 0.791 nan 8.150 nan 0.000 0.442 847 A N -0.136 122.529 122.820 -0.258 0.000 1.877 847 A HA -0.097 4.223 4.320 0.001 0.000 0.216 847 A C 2.480 179.983 177.584 -0.135 0.000 1.186 847 A CA 2.666 54.542 52.037 -0.267 0.000 0.620 847 A CB -1.469 17.309 19.000 -0.369 0.000 0.822 847 A HN 0.719 nan 8.150 nan 0.000 0.443 848 T N -2.230 112.269 114.554 -0.091 0.000 2.674 848 T HA -0.128 4.222 4.350 0.001 0.000 0.265 848 T C 1.716 176.405 174.700 -0.018 0.000 1.039 848 T CA 1.673 63.740 62.100 -0.054 0.000 1.150 848 T CB -1.000 67.847 68.868 -0.036 0.000 0.864 848 T HN 0.067 nan 8.240 nan 0.000 0.427 849 V N 2.082 121.997 119.914 0.001 0.000 2.407 849 V HA 0.006 4.126 4.120 0.001 0.000 0.248 849 V C 3.100 179.241 176.094 0.079 0.000 1.055 849 V CA 1.834 64.160 62.300 0.044 0.000 1.049 849 V CB -1.486 30.370 31.823 0.054 0.000 0.662 849 V HN 0.722 nan 8.190 nan 0.000 0.455 850 G N -0.571 108.257 108.800 0.047 0.000 2.422 850 G HA2 -0.135 3.826 3.960 0.001 0.000 0.218 850 G HA3 -0.135 3.826 3.960 0.001 0.000 0.218 850 G C 1.711 176.694 174.900 0.138 0.000 1.140 850 G CA 0.908 46.058 45.100 0.083 0.000 0.775 850 G HN 0.598 nan 8.290 nan 0.000 0.545 851 A N 0.957 123.813 122.820 0.060 0.000 1.968 851 A HA 0.402 4.722 4.320 0.001 0.000 0.217 851 A C 2.730 180.457 177.584 0.238 0.000 1.169 851 A CA 1.918 54.000 52.037 0.075 0.000 0.638 851 A CB -0.569 18.392 19.000 -0.065 0.000 0.812 851 A HN 0.606 nan 8.150 nan 0.000 0.446 852 A N 0.168 123.076 122.820 0.146 0.000 1.825 852 A HA 0.199 4.520 4.320 0.001 0.000 0.214 852 A C 2.537 180.254 177.584 0.223 0.000 1.206 852 A CA 2.070 54.169 52.037 0.103 0.000 0.609 852 A CB -1.347 17.679 19.000 0.043 0.000 0.851 852 A HN 1.140 nan 8.150 nan 0.000 0.445 853 A N -1.658 121.341 122.820 0.298 0.000 1.986 853 A HA -0.230 4.090 4.320 0.001 0.000 0.220 853 A C 1.953 179.800 177.584 0.438 0.000 1.171 853 A CA 1.830 54.111 52.037 0.407 0.000 0.640 853 A CB -1.013 18.203 19.000 0.359 0.000 0.811 853 A HN 0.937 nan 8.150 nan 0.000 0.451 854 W N -0.899 120.552 121.300 0.251 0.000 2.355 854 W HA -0.193 4.467 4.660 0.000 0.000 0.309 854 W C 1.986 178.668 176.519 0.271 0.000 1.206 854 W CA 1.807 59.327 57.345 0.291 0.000 1.284 854 W CB -0.662 28.895 29.460 0.161 0.000 1.145 854 W HN 0.461 nan 8.180 nan 0.000 0.502 855 W N -0.046 121.288 121.300 0.058 0.000 2.374 855 W HA -0.154 4.507 4.660 0.000 0.000 0.288 855 W C 1.812 178.201 176.519 -0.218 0.000 1.218 855 W CA 1.950 59.109 57.345 -0.309 0.000 1.245 855 W CB -0.806 28.570 29.460 -0.139 0.000 1.126 855 W HN -0.103 nan 8.180 nan 0.000 0.545 856 F N -0.581 119.398 119.950 0.047 0.000 2.811 856 F HA 0.009 4.537 4.527 0.001 0.000 0.301 856 F C 1.709 177.374 175.800 -0.225 0.000 1.151 856 F CA 0.347 58.308 58.000 -0.066 0.000 1.412 856 F CB 0.100 39.200 39.000 0.167 0.000 1.113 856 F HN -0.078 nan 8.300 nan 0.000 0.579 857 M N -3.233 116.268 119.600 -0.165 0.000 1.999 857 M HA 0.082 4.563 4.480 0.001 0.000 0.312 857 M C 0.030 175.813 176.300 -0.861 0.000 0.982 857 M CA 0.439 55.471 55.300 -0.446 0.000 1.125 857 M CB 0.691 33.068 32.600 -0.372 0.000 2.053 857 M HN -0.014 nan 8.290 nan 0.000 0.703 858 Y N 0.053 120.042 120.300 -0.518 0.000 2.610 858 Y HA 0.540 5.091 4.550 0.001 0.000 0.254 858 Y C 0.969 176.432 175.900 -0.728 0.000 1.110 858 Y CA -0.806 56.981 58.100 -0.521 0.000 1.238 858 Y CB 0.348 38.596 38.460 -0.355 0.000 1.322 858 Y HN 0.051 nan 8.280 nan 0.000 0.547 859 A N 1.484 123.711 122.820 -0.988 0.000 2.545 859 A HA -0.029 4.291 4.320 0.001 0.000 0.253 859 A C 1.514 178.818 177.584 -0.467 0.000 1.074 859 A CA 0.161 51.646 52.037 -0.921 0.000 0.760 859 A CB 0.083 18.379 19.000 -1.173 0.000 1.005 859 A HN 0.584 nan 8.150 nan 0.000 0.506 860 E N 1.379 121.448 120.200 -0.219 0.000 2.267 860 E HA -0.191 4.159 4.350 0.001 0.000 0.197 860 E C -0.121 176.402 176.600 -0.129 0.000 0.998 860 E CA 1.512 57.843 56.400 -0.114 0.000 0.830 860 E CB 0.145 29.840 29.700 -0.007 0.000 0.751 860 E HN 0.739 nan 8.360 nan 0.000 0.491 861 D N -0.360 119.947 120.400 -0.155 0.000 2.623 861 D HA 0.190 4.830 4.640 0.001 0.000 0.252 861 D C -0.058 176.099 176.300 -0.238 0.000 1.294 861 D CA 0.092 54.027 54.000 -0.108 0.000 0.824 861 D CB 0.974 41.790 40.800 0.027 0.000 1.070 861 D HN 0.127 nan 8.370 nan 0.000 0.487 862 G N 1.321 109.796 108.800 -0.541 0.000 2.630 862 G HA2 0.560 4.520 3.960 0.001 0.000 0.296 862 G HA3 0.560 4.520 3.960 0.001 0.000 0.296 862 G C -2.793 171.715 174.900 -0.654 0.000 1.285 862 G CA -1.256 43.247 45.100 -0.995 0.000 0.958 862 G HN -0.214 nan 8.290 nan 0.000 0.479 863 P HA 0.183 nan 4.420 nan 0.000 0.271 863 P C 0.503 177.607 177.300 -0.326 0.000 1.218 863 P CA 0.076 62.981 63.100 -0.326 0.000 0.780 863 P CB 1.531 33.095 31.700 -0.226 0.000 0.901 864 G N 1.633 110.281 108.800 -0.253 0.000 3.448 864 G HA2 0.190 4.150 3.960 0.001 0.000 0.261 864 G HA3 0.190 4.150 3.960 0.001 0.000 0.261 864 G C 0.318 175.098 174.900 -0.200 0.000 1.173 864 G CA -0.223 44.715 45.100 -0.270 0.000 0.835 864 G HN 0.384 nan 8.290 nan 0.000 0.534 865 V N 1.918 121.748 119.914 -0.140 0.000 2.902 865 V HA -0.000 4.120 4.120 0.001 0.000 0.297 865 V C 1.468 177.547 176.094 -0.023 0.000 1.230 865 V CA 0.930 63.200 62.300 -0.049 0.000 1.344 865 V CB -0.044 31.767 31.823 -0.020 0.000 0.889 865 V HN 0.557 nan 8.190 nan 0.000 0.515 866 T N 2.192 116.773 114.554 0.044 0.000 2.868 866 T HA 0.204 4.554 4.350 0.001 0.000 0.292 866 T C 0.686 175.491 174.700 0.174 0.000 1.028 866 T CA 0.011 62.164 62.100 0.088 0.000 1.059 866 T CB 0.488 69.414 68.868 0.097 0.000 0.991 866 T HN 0.591 nan 8.240 nan 0.000 0.531 867 Y N 0.686 121.052 120.300 0.110 0.000 2.256 867 Y HA -0.236 4.314 4.550 0.001 0.000 0.288 867 Y C 2.574 178.590 175.900 0.192 0.000 1.155 867 Y CA 2.251 60.436 58.100 0.142 0.000 1.203 867 Y CB -0.525 38.019 38.460 0.140 0.000 0.980 867 Y HN 0.958 nan 8.280 nan 0.000 0.530 868 H N 0.238 119.337 119.070 0.049 0.000 2.395 868 H HA -0.071 4.485 4.556 0.001 0.000 0.299 868 H C 1.433 176.876 175.328 0.192 0.000 1.070 868 H CA 1.826 57.911 56.048 0.062 0.000 1.356 868 H CB 0.082 29.878 29.762 0.057 0.000 1.401 868 H HN 0.537 nan 8.280 nan 0.000 0.524 869 Q N -0.112 119.896 119.800 0.347 0.000 2.515 869 Q HA -0.040 4.301 4.340 0.001 0.000 0.212 869 Q C 1.779 177.936 176.000 0.261 0.000 0.970 869 Q CA 0.228 56.339 55.803 0.513 0.000 0.941 869 Q CB 0.397 29.428 28.738 0.488 0.000 0.998 869 Q HN 0.269 nan 8.270 nan 0.000 0.518 870 L N -0.201 121.052 121.223 0.051 0.000 2.286 870 L HA -0.028 4.312 4.340 0.001 0.000 0.203 870 L C 2.379 179.123 176.870 -0.211 0.000 1.068 870 L CA 1.622 56.393 54.840 -0.115 0.000 0.811 870 L CB -0.345 41.675 42.059 -0.065 0.000 0.989 870 L HN 0.165 nan 8.230 nan 0.000 0.467 871 T N -3.389 110.984 114.554 -0.302 0.000 2.962 871 T HA -0.147 4.203 4.350 0.001 0.000 0.270 871 T C 0.546 174.974 174.700 -0.453 0.000 1.088 871 T CA 1.272 63.128 62.100 -0.407 0.000 1.127 871 T CB -0.644 67.850 68.868 -0.624 0.000 0.883 871 T HN 0.422 nan 8.240 nan 0.000 0.493 872 H N 0.613 119.546 119.070 -0.229 0.000 2.474 872 H HA 0.393 4.949 4.556 0.001 0.000 0.250 872 H C 0.495 175.558 175.328 -0.442 0.000 1.307 872 H CA -1.126 54.782 56.048 -0.234 0.000 1.058 872 H CB -0.490 29.227 29.762 -0.075 0.000 1.693 872 H HN 0.550 nan 8.280 nan 0.000 0.552 873 F N -1.608 117.876 119.950 -0.778 0.000 2.615 873 F HA 0.049 4.576 4.527 0.001 0.000 0.297 873 F C 1.544 176.719 175.800 -1.042 0.000 1.124 873 F CA 0.137 57.236 58.000 -1.501 0.000 1.451 873 F CB -0.031 37.575 39.000 -2.323 0.000 1.103 873 F HN 0.119 nan 8.300 nan 0.000 0.569 874 M N 1.005 119.669 119.600 -1.561 0.000 2.062 874 M HA -0.152 4.329 4.480 0.001 0.000 0.259 874 M C 1.579 177.483 176.300 -0.660 0.000 1.076 874 M CA 1.581 56.172 55.300 -1.183 0.000 1.122 874 M CB -1.306 30.696 32.600 -0.998 0.000 1.312 874 M HN 0.235 nan 8.290 nan 0.000 0.412 875 Q N -0.088 119.415 119.800 -0.495 0.000 2.408 875 Q HA -0.022 4.318 4.340 0.001 0.000 0.214 875 Q C 1.817 177.626 176.000 -0.318 0.000 0.957 875 Q CA 0.166 55.804 55.803 -0.275 0.000 0.965 875 Q CB -1.233 27.456 28.738 -0.082 0.000 0.991 875 Q HN 0.506 nan 8.270 nan 0.000 0.505 876 c N 0.075 118.311 118.600 -0.607 0.000 2.413 876 c HA -0.230 4.340 4.570 0.001 0.000 0.276 876 c C 2.599 176.592 174.090 -0.161 0.000 1.236 876 c CA 1.803 57.738 56.329 -0.656 0.000 1.735 876 c CB -0.902 41.400 42.510 -0.348 0.000 2.031 876 c HN 0.789 nan 8.230 nan 0.000 0.474 877 T N -0.519 113.972 114.554 -0.104 0.000 2.569 877 T HA -0.203 4.147 4.350 0.001 0.000 0.263 877 T C 1.581 176.322 174.700 0.067 0.000 1.074 877 T CA 1.847 63.948 62.100 0.002 0.000 1.176 877 T CB -0.816 68.035 68.868 -0.029 0.000 0.863 877 T HN 0.733 nan 8.240 nan 0.000 0.410 878 E N 1.299 121.510 120.200 0.020 0.000 2.007 878 E HA -0.164 4.186 4.350 0.001 0.000 0.203 878 E C 1.313 177.976 176.600 0.105 0.000 1.020 878 E CA 1.334 57.756 56.400 0.037 0.000 0.845 878 E CB -0.352 29.340 29.700 -0.014 0.000 0.779 878 E HN 0.481 nan 8.360 nan 0.000 0.466 879 D N 0.224 120.700 120.400 0.127 0.000 2.885 879 D HA -0.082 4.559 4.640 0.001 0.000 0.234 879 D C 1.062 177.571 176.300 0.349 0.000 1.129 879 D CA 0.168 54.268 54.000 0.167 0.000 0.991 879 D CB -0.235 40.600 40.800 0.058 0.000 1.137 879 D HN 0.255 nan 8.370 nan 0.000 0.459 880 H N 1.615 120.810 119.070 0.208 0.000 2.390 880 H HA -0.082 4.474 4.556 0.001 0.000 0.298 880 H C -1.026 174.420 175.328 0.197 0.000 1.106 880 H CA 1.348 57.535 56.048 0.231 0.000 1.297 880 H CB -0.442 29.390 29.762 0.117 0.000 1.375 880 H HN 0.351 nan 8.280 nan 0.000 0.509 881 P HA -0.168 nan 4.420 nan 0.000 0.215 881 P C 1.109 178.442 177.300 0.055 0.000 1.153 881 P CA 1.703 64.929 63.100 0.210 0.000 0.853 881 P CB -0.253 31.529 31.700 0.136 0.000 0.788 882 H N -0.719 118.225 119.070 -0.211 0.000 2.422 882 H HA -0.056 4.501 4.556 0.001 0.000 0.298 882 H C 0.872 175.784 175.328 -0.694 0.000 1.098 882 H CA 1.324 57.037 56.048 -0.557 0.000 1.315 882 H CB -0.966 28.255 29.762 -0.901 0.000 1.382 882 H HN 0.216 nan 8.280 nan 0.000 0.523 883 F N 0.995 120.990 119.950 0.075 0.000 2.923 883 F HA 0.167 4.694 4.527 0.000 0.000 0.314 883 F C 0.161 175.882 175.800 -0.131 0.000 1.196 883 F CA -0.706 57.280 58.000 -0.023 0.000 1.320 883 F CB -0.412 38.575 39.000 -0.023 0.000 0.953 883 F HN 0.071 nan 8.300 nan 0.000 0.505 884 E N 0.071 120.298 120.200 0.045 0.000 2.406 884 E HA 0.448 4.799 4.350 0.001 0.000 0.258 884 E C 0.847 177.477 176.600 0.051 0.000 1.043 884 E CA 0.485 56.947 56.400 0.104 0.000 0.929 884 E CB 0.674 30.437 29.700 0.106 0.000 0.969 884 E HN 0.503 nan 8.360 nan 0.000 0.462 885 G N 3.510 112.343 108.800 0.055 0.000 4.432 885 G HA2 0.003 3.963 3.960 0.001 0.000 0.158 885 G HA3 0.003 3.963 3.960 0.001 0.000 0.158 885 G C -0.061 174.838 174.900 -0.002 0.000 1.637 885 G CA -0.171 44.936 45.100 0.013 0.000 0.900 885 G HN 0.399 nan 8.290 nan 0.000 0.292 886 L N -0.264 120.933 121.223 -0.043 0.000 2.539 886 L HA 0.586 4.927 4.340 0.001 0.000 0.251 886 L C -0.874 175.957 176.870 -0.064 0.000 1.382 886 L CA -0.880 53.927 54.840 -0.055 0.000 1.448 886 L CB 1.097 43.097 42.059 -0.098 0.000 1.824 886 L HN 0.182 nan 8.230 nan 0.000 0.544 887 D N -0.179 120.169 120.400 -0.085 0.000 2.277 887 D HA 0.113 4.753 4.640 0.001 0.000 0.249 887 D C 0.405 176.607 176.300 -0.164 0.000 1.134 887 D CA -0.255 53.700 54.000 -0.076 0.000 0.863 887 D CB 1.795 42.569 40.800 -0.043 0.000 1.143 887 D HN 0.440 nan 8.370 nan 0.000 0.458 888 c N 2.955 121.488 118.600 -0.112 0.000 2.460 888 c HA -0.044 4.526 4.570 0.001 0.000 0.291 888 c C 1.855 175.920 174.090 -0.040 0.000 1.493 888 c CA 0.271 56.540 56.329 -0.100 0.000 1.748 888 c CB -1.164 41.334 42.510 -0.021 0.000 1.656 888 c HN 0.654 nan 8.230 nan 0.000 0.576 889 E N -0.187 119.977 120.200 -0.060 0.000 2.476 889 E HA 0.153 4.503 4.350 0.001 0.000 0.196 889 E C 1.657 178.250 176.600 -0.011 0.000 1.029 889 E CA -0.174 56.233 56.400 0.011 0.000 0.896 889 E CB 0.060 29.772 29.700 0.020 0.000 1.012 889 E HN 0.691 nan 8.360 nan 0.000 0.475 890 I N 0.399 120.865 120.570 -0.172 0.000 3.001 890 I HA -0.130 4.040 4.170 0.001 0.000 0.268 890 I C 0.465 176.583 176.117 0.001 0.000 1.267 890 I CA 0.506 61.742 61.300 -0.107 0.000 1.472 890 I CB 0.103 37.971 38.000 -0.219 0.000 1.089 890 I HN 0.113 nan 8.210 nan 0.000 0.468 891 F N 0.984 121.002 119.950 0.115 0.000 2.802 891 F HA 0.051 4.579 4.527 0.001 0.000 0.300 891 F C 1.613 177.553 175.800 0.233 0.000 1.168 891 F CA 0.513 58.587 58.000 0.122 0.000 1.433 891 F CB -0.249 38.821 39.000 0.116 0.000 1.115 891 F HN 0.143 nan 8.300 nan 0.000 0.582 892 E N -0.186 120.201 120.200 0.312 0.000 2.624 892 E HA 0.338 4.689 4.350 0.001 0.000 0.210 892 E C 0.555 177.227 176.600 0.121 0.000 0.997 892 E CA -0.281 56.242 56.400 0.206 0.000 0.999 892 E CB 0.462 30.255 29.700 0.154 0.000 1.040 892 E HN 0.145 nan 8.360 nan 0.000 0.469 893 A N 2.797 125.701 122.820 0.140 0.000 2.462 893 A HA 0.157 4.477 4.320 0.001 0.000 0.243 893 A C -1.330 176.150 177.584 -0.175 0.000 1.076 893 A CA -0.982 51.045 52.037 -0.016 0.000 0.773 893 A CB 0.172 19.171 19.000 -0.001 0.000 1.010 893 A HN -0.031 nan 8.150 nan 0.000 0.493 894 P HA -0.091 nan 4.420 nan 0.000 0.222 894 P C 0.663 177.718 177.300 -0.407 0.000 1.153 894 P CA 0.987 63.946 63.100 -0.234 0.000 0.798 894 P CB 0.281 31.886 31.700 -0.159 0.000 0.796 895 E N 1.294 121.098 120.200 -0.660 0.000 2.065 895 E HA -0.163 4.187 4.350 0.001 0.000 0.201 895 E C -0.392 175.607 176.600 -1.002 0.000 1.016 895 E CA 2.416 58.221 56.400 -0.991 0.000 0.818 895 E CB -2.142 26.481 29.700 -1.795 0.000 0.749 895 E HN 0.418 nan 8.360 nan 0.000 0.453 896 P HA -0.193 nan 4.420 nan 0.000 0.215 896 P C 1.336 178.429 177.300 -0.345 0.000 1.157 896 P CA 1.706 64.405 63.100 -0.667 0.000 0.868 896 P CB -0.055 31.102 31.700 -0.904 0.000 0.788 897 M N -0.909 118.517 119.600 -0.289 0.000 2.132 897 M HA -0.078 4.403 4.480 0.001 0.000 0.263 897 M C 2.199 178.409 176.300 -0.150 0.000 1.065 897 M CA 2.036 57.243 55.300 -0.155 0.000 1.122 897 M CB -1.416 31.124 32.600 -0.099 0.000 1.365 897 M HN -0.069 nan 8.290 nan 0.000 0.411 898 T N 0.565 114.995 114.554 -0.208 0.000 2.788 898 T HA -0.162 4.189 4.350 0.001 0.000 0.268 898 T C 1.675 176.254 174.700 -0.202 0.000 1.044 898 T CA 1.295 63.283 62.100 -0.187 0.000 1.139 898 T CB -0.168 68.564 68.868 -0.226 0.000 0.867 898 T HN 0.218 nan 8.240 nan 0.000 0.454 899 M N 1.577 121.040 119.600 -0.227 0.000 2.099 899 M HA 0.117 4.597 4.480 0.001 0.000 0.262 899 M C 2.401 178.606 176.300 -0.159 0.000 1.067 899 M CA 1.387 56.577 55.300 -0.184 0.000 1.124 899 M CB -0.848 31.715 32.600 -0.062 0.000 1.353 899 M HN 0.231 nan 8.290 nan 0.000 0.410 900 A N -0.538 122.212 122.820 -0.116 0.000 1.877 900 A HA -0.131 4.189 4.320 0.001 0.000 0.216 900 A C 2.136 179.669 177.584 -0.084 0.000 1.186 900 A CA 1.746 53.733 52.037 -0.083 0.000 0.620 900 A CB -1.146 17.822 19.000 -0.052 0.000 0.822 900 A HN 0.522 nan 8.150 nan 0.000 0.443 901 L N 0.021 121.202 121.223 -0.070 0.000 2.017 901 L HA -0.093 4.247 4.340 0.001 0.000 0.208 901 L C 2.489 179.319 176.870 -0.067 0.000 1.073 901 L CA 2.561 57.385 54.840 -0.027 0.000 0.745 901 L CB -0.619 41.459 42.059 0.031 0.000 0.894 901 L HN 0.281 nan 8.230 nan 0.000 0.432 902 S N -1.344 114.283 115.700 -0.122 0.000 2.442 902 S HA -0.133 4.337 4.470 0.001 0.000 0.236 902 S C 1.909 176.319 174.600 -0.317 0.000 1.007 902 S CA 1.213 59.250 58.200 -0.272 0.000 0.965 902 S CB -0.308 62.573 63.200 -0.531 0.000 0.773 902 S HN 0.341 nan 8.310 nan 0.000 0.504 903 V N 1.236 121.012 119.914 -0.230 0.000 2.407 903 V HA -0.031 4.089 4.120 0.001 0.000 0.245 903 V C 2.114 178.147 176.094 -0.103 0.000 1.041 903 V CA 1.084 63.281 62.300 -0.171 0.000 1.040 903 V CB -0.450 31.282 31.823 -0.151 0.000 0.671 903 V HN 0.379 nan 8.190 nan 0.000 0.455 904 L N 0.126 121.295 121.223 -0.090 0.000 1.994 904 L HA -0.122 4.218 4.340 0.001 0.000 0.208 904 L C 2.382 179.215 176.870 -0.062 0.000 1.071 904 L CA 2.027 56.832 54.840 -0.059 0.000 0.745 904 L CB -0.645 41.389 42.059 -0.043 0.000 0.892 904 L HN 0.118 nan 8.230 nan 0.000 0.431 905 V N -0.379 119.475 119.914 -0.100 0.000 2.287 905 V HA -0.351 3.769 4.120 0.001 0.000 0.248 905 V C 2.491 178.550 176.094 -0.058 0.000 1.053 905 V CA 2.413 64.645 62.300 -0.113 0.000 1.027 905 V CB -1.187 30.443 31.823 -0.321 0.000 0.646 905 V HN 0.601 nan 8.190 nan 0.000 0.447 906 T N -0.008 114.508 114.554 -0.062 0.000 2.788 906 T HA -0.087 4.263 4.350 0.001 0.000 0.268 906 T C 1.820 176.536 174.700 0.027 0.000 1.044 906 T CA 1.578 63.686 62.100 0.013 0.000 1.139 906 T CB -0.246 68.632 68.868 0.017 0.000 0.867 906 T HN 0.335 nan 8.240 nan 0.000 0.454 907 I N 0.921 121.498 120.570 0.012 0.000 2.252 907 I HA -0.132 4.038 4.170 0.001 0.000 0.245 907 I C 2.701 178.841 176.117 0.039 0.000 1.102 907 I CA 1.078 62.398 61.300 0.033 0.000 1.385 907 I CB -0.289 37.739 38.000 0.046 0.000 1.064 907 I HN 0.136 nan 8.210 nan 0.000 0.414 908 E N 0.455 120.673 120.200 0.031 0.000 2.077 908 E HA -0.200 4.151 4.350 0.001 0.000 0.193 908 E C 2.216 178.936 176.600 0.200 0.000 0.989 908 E CA 1.218 57.670 56.400 0.086 0.000 0.800 908 E CB -0.299 29.417 29.700 0.028 0.000 0.746 908 E HN 0.377 nan 8.360 nan 0.000 0.452 909 M N 0.194 119.863 119.600 0.115 0.000 2.080 909 M HA -0.164 4.317 4.480 0.001 0.000 0.260 909 M C 2.595 178.935 176.300 0.067 0.000 1.068 909 M CA 1.069 56.422 55.300 0.087 0.000 1.109 909 M CB -1.509 31.132 32.600 0.069 0.000 1.342 909 M HN 0.175 nan 8.290 nan 0.000 0.405 910 C N 0.266 119.604 119.300 0.063 0.000 2.429 910 C HA -0.137 4.324 4.460 0.001 0.000 0.277 910 C C 2.580 177.598 174.990 0.048 0.000 1.262 910 C CA 0.964 60.006 59.018 0.040 0.000 1.733 910 C CB -1.525 26.230 27.740 0.025 0.000 2.010 910 C HN 0.632 nan 8.230 nan 0.000 0.483 911 N N 0.539 119.300 118.700 0.101 0.000 2.396 911 N HA -0.073 4.668 4.740 0.001 0.000 0.180 911 N C 1.745 177.371 175.510 0.193 0.000 1.028 911 N CA 0.905 54.046 53.050 0.151 0.000 0.893 911 N CB -0.023 38.562 38.487 0.162 0.000 0.967 911 N HN 0.517 nan 8.380 nan 0.000 0.440 912 A N 1.296 124.180 122.820 0.107 0.000 1.898 912 A HA -0.057 4.263 4.320 0.001 0.000 0.216 912 A C 2.166 179.654 177.584 -0.161 0.000 1.181 912 A CA 0.718 52.578 52.037 -0.295 0.000 0.620 912 A CB -0.580 18.223 19.000 -0.329 0.000 0.819 912 A HN 0.249 nan 8.150 nan 0.000 0.442 913 L N -0.476 120.707 121.223 -0.067 0.000 2.131 913 L HA -0.202 4.139 4.340 0.001 0.000 0.210 913 L C 2.112 178.958 176.870 -0.040 0.000 1.092 913 L CA 1.589 56.397 54.840 -0.055 0.000 0.759 913 L CB -0.725 41.313 42.059 -0.035 0.000 0.903 913 L HN 0.508 nan 8.230 nan 0.000 0.435 914 N N -0.830 117.864 118.700 -0.009 0.000 2.381 914 N HA -0.106 4.634 4.740 0.001 0.000 0.182 914 N C 1.580 177.106 175.510 0.027 0.000 1.025 914 N CA 0.755 53.813 53.050 0.013 0.000 0.888 914 N CB 0.102 38.611 38.487 0.036 0.000 0.965 914 N HN 0.147 nan 8.380 nan 0.000 0.438 915 S N 0.462 116.171 115.700 0.015 0.000 2.593 915 S HA 0.168 4.639 4.470 0.001 0.000 0.217 915 S C 1.675 176.260 174.600 -0.024 0.000 0.966 915 S CA -0.089 58.123 58.200 0.019 0.000 0.914 915 S CB 0.142 63.348 63.200 0.011 0.000 0.776 915 S HN 0.277 nan 8.310 nan 0.000 0.523 916 L N 0.666 121.863 121.223 -0.043 0.000 2.042 916 L HA -0.032 4.309 4.340 0.001 0.000 0.210 916 L C 1.135 177.989 176.870 -0.026 0.000 1.076 916 L CA 0.867 55.682 54.840 -0.042 0.000 0.749 916 L CB -0.035 41.993 42.059 -0.053 0.000 0.893 916 L HN 0.237 nan 8.230 nan 0.000 0.432 917 S N -1.824 113.865 115.700 -0.018 0.000 2.538 917 S HA 0.132 4.602 4.470 0.001 0.000 0.288 917 S C 0.560 175.163 174.600 0.005 0.000 1.108 917 S CA -0.753 57.441 58.200 -0.011 0.000 0.971 917 S CB 1.928 65.118 63.200 -0.016 0.000 1.041 917 S HN 0.243 nan 8.310 nan 0.000 0.483 918 E N 2.781 122.985 120.200 0.005 0.000 2.038 918 E HA -0.132 4.218 4.350 0.001 0.000 0.195 918 E C 0.602 177.217 176.600 0.025 0.000 1.000 918 E CA 1.421 57.830 56.400 0.014 0.000 0.803 918 E CB 0.036 29.740 29.700 0.005 0.000 0.750 918 E HN 0.683 nan 8.360 nan 0.000 0.448 919 N N -0.580 118.134 118.700 0.024 0.000 2.143 919 N HA 0.027 4.767 4.740 0.001 0.000 0.222 919 N C -0.534 174.992 175.510 0.026 0.000 1.264 919 N CA -0.004 53.070 53.050 0.039 0.000 0.897 919 N CB 0.892 39.400 38.487 0.035 0.000 1.092 919 N HN 0.055 nan 8.380 nan 0.000 0.516 920 Q N 1.146 120.952 119.800 0.010 0.000 2.286 920 Q HA 0.167 4.507 4.340 0.001 0.000 0.257 920 Q C 0.130 176.133 176.000 0.004 0.000 0.941 920 Q CA 0.106 55.910 55.803 0.001 0.000 0.912 920 Q CB 1.720 30.449 28.738 -0.014 0.000 1.192 920 Q HN 0.009 nan 8.270 nan 0.000 0.410 921 S N 1.861 117.570 115.700 0.014 0.000 2.579 921 S HA 0.130 4.600 4.470 0.001 0.000 0.275 921 S C 1.351 175.934 174.600 -0.029 0.000 1.345 921 S CA -0.423 57.786 58.200 0.016 0.000 1.031 921 S CB 0.380 63.609 63.200 0.047 0.000 0.892 921 S HN 0.652 nan 8.310 nan 0.000 0.529 922 L N 3.821 125.018 121.223 -0.044 0.000 2.549 922 L HA -0.082 4.258 4.340 0.001 0.000 0.229 922 L C 1.995 178.793 176.870 -0.120 0.000 1.158 922 L CA 0.722 55.504 54.840 -0.098 0.000 0.842 922 L CB -0.365 41.640 42.059 -0.090 0.000 0.952 922 L HN 0.763 nan 8.230 nan 0.000 0.452 923 M N -1.402 118.160 119.600 -0.063 0.000 2.325 923 M HA -0.091 4.389 4.480 0.001 0.000 0.265 923 M C 2.274 178.544 176.300 -0.050 0.000 1.094 923 M CA 1.101 56.373 55.300 -0.047 0.000 1.161 923 M CB -0.144 32.454 32.600 -0.003 0.000 1.358 923 M HN 0.018 nan 8.290 nan 0.000 0.446 924 R N 0.544 121.021 120.500 -0.038 0.000 2.127 924 R HA 0.170 4.510 4.340 0.001 0.000 0.217 924 R C 0.470 176.733 176.300 -0.062 0.000 1.074 924 R CA 0.935 57.016 56.100 -0.032 0.000 0.991 924 R CB 0.179 30.471 30.300 -0.014 0.000 0.895 924 R HN 0.231 nan 8.270 nan 0.000 0.450 925 M N 1.606 121.147 119.600 -0.098 0.000 1.998 925 M HA 0.397 4.877 4.480 0.001 0.000 0.289 925 M C -2.437 173.714 176.300 -0.249 0.000 0.886 925 M CA -2.438 52.781 55.300 -0.134 0.000 0.853 925 M CB 1.684 34.232 32.600 -0.087 0.000 1.462 925 M HN -0.178 nan 8.290 nan 0.000 0.375 926 P HA -0.005 nan 4.420 nan 0.000 0.266 926 P C -2.320 174.531 177.300 -0.749 0.000 1.180 926 P CA -0.494 62.082 63.100 -0.872 0.000 0.765 926 P CB 0.132 30.912 31.700 -1.533 0.000 0.806 927 P HA -0.140 nan 4.420 nan 0.000 0.218 927 P C 0.656 177.873 177.300 -0.139 0.000 1.149 927 P CA 1.247 64.176 63.100 -0.284 0.000 0.817 927 P CB -0.368 31.246 31.700 -0.143 0.000 0.785 928 W N -1.806 119.501 121.300 0.010 0.000 2.961 928 W HA 0.104 4.764 4.660 0.001 0.000 0.240 928 W C 0.969 177.501 176.519 0.022 0.000 1.305 928 W CA -0.022 57.327 57.345 0.008 0.000 1.465 928 W CB -1.966 27.492 29.460 -0.004 0.000 1.135 928 W HN -0.302 nan 8.180 nan 0.000 0.688 929 V N 1.700 121.598 119.914 -0.026 0.000 2.720 929 V HA -0.212 3.908 4.120 0.001 0.000 0.256 929 V C 0.870 177.030 176.094 0.110 0.000 1.082 929 V CA 1.805 64.130 62.300 0.042 0.000 1.101 929 V CB -0.893 30.895 31.823 -0.058 0.000 0.693 929 V HN 0.352 nan 8.190 nan 0.000 0.479 930 N N 0.350 119.120 118.700 0.117 0.000 2.716 930 N HA 0.190 4.930 4.740 0.001 0.000 0.253 930 N C 0.641 176.266 175.510 0.191 0.000 1.170 930 N CA -0.295 52.866 53.050 0.186 0.000 0.807 930 N CB 0.919 39.493 38.487 0.144 0.000 1.183 930 N HN -0.029 nan 8.380 nan 0.000 0.524 931 I N 0.909 121.577 120.570 0.163 0.000 2.264 931 I HA -0.204 3.966 4.170 0.001 0.000 0.248 931 I C 1.460 177.584 176.117 0.011 0.000 1.111 931 I CA 1.111 62.427 61.300 0.028 0.000 1.382 931 I CB -0.842 37.079 38.000 -0.132 0.000 1.060 931 I HN 0.516 nan 8.210 nan 0.000 0.418 932 W N 0.587 121.949 121.300 0.102 0.000 2.350 932 W HA -0.199 4.461 4.660 0.001 0.000 0.289 932 W C 2.469 179.030 176.519 0.070 0.000 1.215 932 W CA 0.444 57.867 57.345 0.131 0.000 1.236 932 W CB -0.914 28.724 29.460 0.297 0.000 1.130 932 W HN 0.089 nan 8.180 nan 0.000 0.541 933 L N 0.115 121.487 121.223 0.248 0.000 2.027 933 L HA -0.109 4.232 4.340 0.001 0.000 0.206 933 L C 2.182 179.089 176.870 0.061 0.000 1.074 933 L CA 1.767 56.666 54.840 0.098 0.000 0.745 933 L CB -1.040 41.043 42.059 0.041 0.000 0.898 933 L HN -0.020 nan 8.230 nan 0.000 0.433 934 L N -0.868 120.395 121.223 0.066 0.000 2.127 934 L HA -0.177 4.163 4.340 0.001 0.000 0.211 934 L C 2.433 179.320 176.870 0.028 0.000 1.089 934 L CA 1.285 56.153 54.840 0.046 0.000 0.757 934 L CB -1.458 40.636 42.059 0.058 0.000 0.899 934 L HN 0.480 nan 8.230 nan 0.000 0.434 935 G N -0.145 108.672 108.800 0.028 0.000 2.394 935 G HA2 -0.241 3.719 3.960 0.001 0.000 0.214 935 G HA3 -0.241 3.719 3.960 0.001 0.000 0.214 935 G C 1.770 176.693 174.900 0.038 0.000 1.176 935 G CA 0.814 45.923 45.100 0.015 0.000 0.786 935 G HN 0.492 nan 8.290 nan 0.000 0.533 936 S N 0.506 116.243 115.700 0.062 0.000 2.419 936 S HA -0.041 4.429 4.470 0.001 0.000 0.235 936 S C 2.265 176.877 174.600 0.021 0.000 1.019 936 S CA 1.068 59.291 58.200 0.039 0.000 0.982 936 S CB -0.317 62.892 63.200 0.014 0.000 0.789 936 S HN 0.369 nan 8.310 nan 0.000 0.490 937 I N 0.814 121.397 120.570 0.021 0.000 2.277 937 I HA -0.116 4.055 4.170 0.001 0.000 0.243 937 I C 2.502 178.639 176.117 0.034 0.000 1.094 937 I CA 0.782 62.099 61.300 0.027 0.000 1.393 937 I CB -0.625 37.390 38.000 0.025 0.000 1.078 937 I HN 0.397 nan 8.210 nan 0.000 0.417 938 C N 0.568 119.878 119.300 0.017 0.000 2.425 938 C HA -0.153 4.307 4.460 0.001 0.000 0.277 938 C C 2.718 177.713 174.990 0.008 0.000 1.280 938 C CA 0.480 59.497 59.018 -0.002 0.000 1.744 938 C CB -0.957 26.769 27.740 -0.023 0.000 1.989 938 C HN 0.503 nan 8.230 nan 0.000 0.491 939 L N 0.798 122.034 121.223 0.022 0.000 2.217 939 L HA -0.008 4.332 4.340 0.001 0.000 0.211 939 L C 2.358 179.267 176.870 0.065 0.000 1.107 939 L CA 1.834 56.696 54.840 0.035 0.000 0.783 939 L CB -0.687 41.392 42.059 0.034 0.000 0.919 939 L HN 0.181 nan 8.230 nan 0.000 0.442 940 S N -0.997 114.743 115.700 0.067 0.000 2.395 940 S HA -0.021 4.449 4.470 0.001 0.000 0.225 940 S C 1.835 176.542 174.600 0.178 0.000 1.027 940 S CA 1.064 59.321 58.200 0.095 0.000 0.965 940 S CB -0.120 63.115 63.200 0.058 0.000 0.812 940 S HN 0.347 nan 8.310 nan 0.000 0.482 941 M N 1.852 121.551 119.600 0.165 0.000 2.254 941 M HA 0.006 4.486 4.480 0.001 0.000 0.265 941 M C 2.402 178.895 176.300 0.322 0.000 1.066 941 M CA 1.152 56.614 55.300 0.271 0.000 1.123 941 M CB -1.696 31.016 32.600 0.187 0.000 1.388 941 M HN 0.451 nan 8.290 nan 0.000 0.425 942 S N 0.326 116.109 115.700 0.138 0.000 2.383 942 S HA -0.049 4.421 4.470 0.001 0.000 0.227 942 S C 1.884 176.599 174.600 0.191 0.000 1.026 942 S CA 0.781 59.026 58.200 0.074 0.000 0.981 942 S CB -0.874 62.325 63.200 -0.003 0.000 0.818 942 S HN 0.514 nan 8.310 nan 0.000 0.472 943 L N 0.463 121.832 121.223 0.243 0.000 2.622 943 L HA 0.067 4.408 4.340 0.001 0.000 0.233 943 L C 2.486 179.593 176.870 0.395 0.000 1.156 943 L CA 0.922 55.960 54.840 0.330 0.000 0.866 943 L CB -0.480 41.808 42.059 0.383 0.000 0.980 943 L HN 0.422 nan 8.230 nan 0.000 0.448 944 H N -0.516 118.729 119.070 0.291 0.000 2.355 944 H HA 0.017 4.573 4.556 0.001 0.000 0.312 944 H C 1.789 177.236 175.328 0.199 0.000 1.051 944 H CA 1.095 57.292 56.048 0.248 0.000 1.389 944 H CB -0.018 29.944 29.762 0.333 0.000 1.455 944 H HN 0.065 nan 8.280 nan 0.000 0.575 945 F N 0.070 120.039 119.950 0.032 0.000 2.494 945 F HA -0.055 4.472 4.527 0.001 0.000 0.298 945 F C 2.109 177.845 175.800 -0.107 0.000 1.106 945 F CA 0.519 58.464 58.000 -0.092 0.000 1.452 945 F CB -0.378 38.480 39.000 -0.236 0.000 1.085 945 F HN 0.233 nan 8.300 nan 0.000 0.569 946 L N -0.287 121.003 121.223 0.112 0.000 2.131 946 L HA 0.040 4.381 4.340 0.001 0.000 0.206 946 L C 1.931 178.784 176.870 -0.028 0.000 1.087 946 L CA 1.427 56.297 54.840 0.050 0.000 0.767 946 L CB -0.492 41.610 42.059 0.073 0.000 0.917 946 L HN 0.158 nan 8.230 nan 0.000 0.441 947 I N -1.123 119.343 120.570 -0.175 0.000 3.291 947 I HA -0.109 4.061 4.170 0.001 0.000 0.279 947 I C 1.185 177.158 176.117 -0.241 0.000 1.294 947 I CA 0.570 61.639 61.300 -0.385 0.000 1.428 947 I CB 0.212 37.717 38.000 -0.826 0.000 1.070 947 I HN 0.247 nan 8.210 nan 0.000 0.478 948 L N -0.769 120.397 121.223 -0.095 0.000 2.728 948 L HA 0.086 4.426 4.340 0.001 0.000 0.238 948 L C 0.836 177.795 176.870 0.149 0.000 1.143 948 L CA -0.024 54.811 54.840 -0.008 0.000 0.937 948 L CB 0.262 42.301 42.059 -0.033 0.000 1.225 948 L HN 0.205 nan 8.230 nan 0.000 0.507 949 Y N -1.647 118.614 120.300 -0.065 0.000 2.820 949 Y HA 0.174 4.724 4.550 0.001 0.000 0.261 949 Y C 1.120 177.010 175.900 -0.017 0.000 1.123 949 Y CA -0.590 57.497 58.100 -0.022 0.000 1.217 949 Y CB 0.403 38.871 38.460 0.013 0.000 1.432 949 Y HN -0.357 nan 8.280 nan 0.000 0.461 950 V N 3.753 123.755 119.914 0.146 0.000 2.382 950 V HA -0.067 4.053 4.120 0.001 0.000 0.250 950 V C 0.283 176.402 176.094 0.041 0.000 1.069 950 V CA 0.211 62.558 62.300 0.078 0.000 1.130 950 V CB -0.605 31.254 31.823 0.060 0.000 1.165 950 V HN 0.362 nan 8.190 nan 0.000 0.483 951 D N 5.265 125.681 120.400 0.027 0.000 3.000 951 D HA -0.253 4.387 4.640 0.001 0.000 0.196 951 D C -0.592 175.717 176.300 0.015 0.000 1.110 951 D CA 2.335 56.340 54.000 0.009 0.000 0.873 951 D CB -1.384 39.419 40.800 0.006 0.000 0.948 951 D HN 0.488 nan 8.370 nan 0.000 0.496 952 P HA -0.131 nan 4.420 nan 0.000 0.218 952 P C 1.262 178.587 177.300 0.042 0.000 1.146 952 P CA 1.008 64.124 63.100 0.026 0.000 0.820 952 P CB 0.021 31.740 31.700 0.031 0.000 0.778 953 L N -0.249 121.010 121.223 0.060 0.000 2.116 953 L HA 0.075 4.415 4.340 0.001 0.000 0.200 953 L C -0.390 176.585 176.870 0.174 0.000 1.084 953 L CA 1.096 56.022 54.840 0.142 0.000 0.766 953 L CB -2.401 39.672 42.059 0.024 0.000 0.930 953 L HN -0.039 nan 8.230 nan 0.000 0.453 954 P HA -0.242 nan 4.420 nan 0.000 0.222 954 P C 1.659 178.975 177.300 0.027 0.000 1.142 954 P CA 1.593 64.704 63.100 0.018 0.000 0.788 954 P CB -0.059 31.615 31.700 -0.044 0.000 0.767 955 M N 0.566 120.181 119.600 0.025 0.000 2.134 955 M HA -0.053 4.427 4.480 0.001 0.000 0.262 955 M C 2.255 178.546 176.300 -0.016 0.000 1.076 955 M CA 1.596 56.896 55.300 -0.000 0.000 1.143 955 M CB -0.914 31.683 32.600 -0.005 0.000 1.346 955 M HN -0.100 nan 8.290 nan 0.000 0.421 956 I N -2.900 117.642 120.570 -0.046 0.000 2.500 956 I HA -0.158 4.013 4.170 0.001 0.000 0.252 956 I C 1.480 177.452 176.117 -0.241 0.000 1.142 956 I CA 1.154 62.355 61.300 -0.166 0.000 1.451 956 I CB -1.013 36.820 38.000 -0.278 0.000 1.093 956 I HN 0.006 nan 8.210 nan 0.000 0.430 957 F N 2.016 121.919 119.950 -0.080 0.000 2.797 957 F HA 0.215 4.743 4.527 0.001 0.000 0.302 957 F C 0.717 176.473 175.800 -0.075 0.000 1.130 957 F CA 0.013 57.960 58.000 -0.087 0.000 1.387 957 F CB 0.001 38.908 39.000 -0.155 0.000 1.107 957 F HN -0.052 nan 8.300 nan 0.000 0.577 958 K N 1.043 121.479 120.400 0.061 0.000 3.150 958 K HA -0.186 4.134 4.320 0.001 0.000 0.267 958 K C -0.598 175.994 176.600 -0.013 0.000 1.028 958 K CA 0.456 56.751 56.287 0.013 0.000 0.753 958 K CB -2.086 30.419 32.500 0.010 0.000 1.288 958 K HN 0.359 nan 8.250 nan 0.000 0.473 959 L N -0.285 120.928 121.223 -0.016 0.000 2.286 959 L HA 0.591 4.932 4.340 0.001 0.000 0.265 959 L C 0.282 177.087 176.870 -0.109 0.000 1.012 959 L CA -1.007 53.785 54.840 -0.079 0.000 0.818 959 L CB 1.814 43.816 42.059 -0.095 0.000 1.337 959 L HN -0.059 nan 8.230 nan 0.000 0.438 960 K N 1.379 121.691 120.400 -0.145 0.000 2.616 960 K HA 0.438 4.758 4.320 0.001 0.000 0.255 960 K C -1.176 175.342 176.600 -0.137 0.000 0.995 960 K CA -0.475 55.726 56.287 -0.145 0.000 0.860 960 K CB 1.971 34.378 32.500 -0.155 0.000 1.264 960 K HN 0.688 nan 8.250 nan 0.000 0.451 961 A N 5.789 128.524 122.820 -0.141 0.000 2.583 961 A HA 0.036 4.356 4.320 0.001 0.000 0.249 961 A C 0.384 177.970 177.584 0.004 0.000 1.035 961 A CA 0.430 52.415 52.037 -0.085 0.000 0.777 961 A CB -0.372 18.473 19.000 -0.258 0.000 0.942 961 A HN 0.651 nan 8.150 nan 0.000 0.516 962 L N 1.842 123.134 121.223 0.116 0.000 2.466 962 L HA 0.201 4.541 4.340 0.001 0.000 0.257 962 L C 0.823 177.858 176.870 0.275 0.000 1.189 962 L CA -0.753 54.179 54.840 0.154 0.000 0.813 962 L CB 0.328 42.416 42.059 0.049 0.000 1.118 962 L HN 0.737 nan 8.230 nan 0.000 0.471 963 D N 0.633 121.183 120.400 0.250 0.000 2.372 963 D HA 0.017 4.658 4.640 0.001 0.000 0.243 963 D C 0.710 177.206 176.300 0.328 0.000 1.121 963 D CA 0.065 54.213 54.000 0.247 0.000 0.898 963 D CB 1.177 42.108 40.800 0.219 0.000 1.202 963 D HN 0.411 nan 8.370 nan 0.000 0.428 964 L N 2.422 123.792 121.223 0.245 0.000 2.642 964 L HA -0.108 4.232 4.340 0.001 0.000 0.236 964 L C 1.316 178.329 176.870 0.237 0.000 1.169 964 L CA 0.988 55.962 54.840 0.223 0.000 0.851 964 L CB 0.006 42.147 42.059 0.138 0.000 0.968 964 L HN 0.442 nan 8.230 nan 0.000 0.453 965 T N -2.153 112.544 114.554 0.237 0.000 3.000 965 T HA -0.017 4.333 4.350 0.001 0.000 0.248 965 T C 1.641 176.477 174.700 0.226 0.000 1.034 965 T CA 0.160 62.386 62.100 0.210 0.000 1.060 965 T CB 0.272 69.254 68.868 0.190 0.000 0.983 965 T HN 0.357 nan 8.240 nan 0.000 0.482 966 Q N -0.048 119.908 119.800 0.260 0.000 2.167 966 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 966 Q C 1.771 177.789 176.000 0.029 0.000 0.970 966 Q CA 1.134 57.054 55.803 0.196 0.000 0.855 966 Q CB -0.129 28.742 28.738 0.222 0.000 0.911 966 Q HN 0.545 nan 8.270 nan 0.000 0.438 967 W N 1.082 122.411 121.300 0.048 0.000 2.381 967 W HA -0.100 4.560 4.660 0.001 0.000 0.301 967 W C 1.849 178.371 176.519 0.006 0.000 1.205 967 W CA 0.827 58.188 57.345 0.027 0.000 1.285 967 W CB -0.288 29.211 29.460 0.064 0.000 1.133 967 W HN 0.070 nan 8.180 nan 0.000 0.521 968 L N -0.442 120.924 121.223 0.239 0.000 2.189 968 L HA -0.272 4.068 4.340 0.001 0.000 0.214 968 L C 2.307 179.185 176.870 0.012 0.000 1.097 968 L CA 1.267 56.185 54.840 0.130 0.000 0.764 968 L CB -0.786 41.343 42.059 0.117 0.000 0.900 968 L HN 0.096 nan 8.230 nan 0.000 0.436 969 M N -0.650 118.899 119.600 -0.085 0.000 2.248 969 M HA -0.057 4.423 4.480 0.001 0.000 0.265 969 M C 2.049 178.180 176.300 -0.281 0.000 1.079 969 M CA 1.516 56.647 55.300 -0.280 0.000 1.150 969 M CB -0.116 32.118 32.600 -0.609 0.000 1.366 969 M HN -0.086 nan 8.290 nan 0.000 0.433 970 V N 0.551 120.310 119.914 -0.259 0.000 2.332 970 V HA -0.293 3.827 4.120 0.001 0.000 0.248 970 V C 2.388 178.407 176.094 -0.124 0.000 1.055 970 V CA 1.902 64.043 62.300 -0.265 0.000 1.038 970 V CB -0.957 30.597 31.823 -0.448 0.000 0.651 970 V HN 0.518 nan 8.190 nan 0.000 0.450 971 L N -0.440 120.771 121.223 -0.021 0.000 2.017 971 L HA -0.158 4.182 4.340 0.001 0.000 0.208 971 L C 2.701 179.575 176.870 0.007 0.000 1.073 971 L CA 1.442 56.308 54.840 0.044 0.000 0.745 971 L CB -0.725 41.398 42.059 0.107 0.000 0.894 971 L HN 0.228 nan 8.230 nan 0.000 0.432 972 K N 0.043 120.426 120.400 -0.028 0.000 2.147 972 K HA -0.090 4.231 4.320 0.001 0.000 0.205 972 K C 1.999 178.576 176.600 -0.037 0.000 1.049 972 K CA 1.202 57.468 56.287 -0.035 0.000 0.936 972 K CB -0.297 32.162 32.500 -0.068 0.000 0.722 972 K HN 0.287 nan 8.250 nan 0.000 0.446 973 I N 0.676 121.197 120.570 -0.082 0.000 2.406 973 I HA -0.106 4.065 4.170 0.001 0.000 0.249 973 I C 2.000 178.145 176.117 0.046 0.000 1.122 973 I CA 0.967 62.222 61.300 -0.074 0.000 1.431 973 I CB -0.866 37.032 38.000 -0.170 0.000 1.087 973 I HN -0.005 nan 8.210 nan 0.000 0.424 974 S N 1.021 116.740 115.700 0.032 0.000 2.315 974 S HA 0.039 4.509 4.470 0.001 0.000 0.211 974 S C 2.028 176.676 174.600 0.080 0.000 1.029 974 S CA 0.364 58.612 58.200 0.081 0.000 0.956 974 S CB -0.304 62.913 63.200 0.028 0.000 0.918 974 S HN 0.189 nan 8.310 nan 0.000 0.470 975 L N 2.546 123.799 121.223 0.050 0.000 2.058 975 L HA -0.181 4.160 4.340 0.001 0.000 0.226 975 L C -0.626 176.247 176.870 0.005 0.000 1.089 975 L CA 2.207 57.066 54.840 0.031 0.000 0.799 975 L CB -2.948 39.131 42.059 0.034 0.000 0.900 975 L HN 0.278 nan 8.230 nan 0.000 0.442 976 P HA -0.177 nan 4.420 nan 0.000 0.219 976 P C 1.939 179.139 177.300 -0.167 0.000 1.145 976 P CA 1.311 64.400 63.100 -0.017 0.000 0.813 976 P CB -0.206 31.541 31.700 0.077 0.000 0.771 977 V N -0.156 119.611 119.914 -0.246 0.000 2.594 977 V HA -0.207 3.913 4.120 0.001 0.000 0.253 977 V C 2.371 178.326 176.094 -0.230 0.000 1.069 977 V CA 1.321 63.356 62.300 -0.442 0.000 1.082 977 V CB -0.909 30.735 31.823 -0.298 0.000 0.680 977 V HN -0.018 nan 8.190 nan 0.000 0.469 978 I N 0.216 120.713 120.570 -0.122 0.000 2.315 978 I HA -0.094 4.076 4.170 0.001 0.000 0.248 978 I C 2.525 178.599 176.117 -0.072 0.000 1.117 978 I CA 1.439 62.696 61.300 -0.071 0.000 1.404 978 I CB -0.924 37.055 38.000 -0.036 0.000 1.071 978 I HN 0.432 nan 8.210 nan 0.000 0.419 979 G N 1.139 109.890 108.800 -0.082 0.000 2.402 979 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 979 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 979 G C 1.644 176.499 174.900 -0.076 0.000 1.162 979 G CA 0.435 45.496 45.100 -0.064 0.000 0.777 979 G HN 0.254 nan 8.290 nan 0.000 0.539 980 L N 0.935 122.072 121.223 -0.145 0.000 2.012 980 L HA -0.030 4.311 4.340 0.001 0.000 0.210 980 L C 2.052 178.863 176.870 -0.099 0.000 1.073 980 L CA 2.648 57.396 54.840 -0.154 0.000 0.748 980 L CB -0.684 41.182 42.059 -0.322 0.000 0.891 980 L HN 0.198 nan 8.230 nan 0.000 0.431 981 D N -1.103 119.236 120.400 -0.102 0.000 2.162 981 D HA -0.173 4.467 4.640 0.001 0.000 0.203 981 D C 2.080 178.393 176.300 0.022 0.000 0.967 981 D CA 0.745 54.715 54.000 -0.048 0.000 0.840 981 D CB 0.115 40.889 40.800 -0.044 0.000 0.972 981 D HN 0.384 nan 8.370 nan 0.000 0.482 982 E N -0.184 120.024 120.200 0.014 0.000 2.160 982 E HA -0.142 4.209 4.350 0.001 0.000 0.195 982 E C 1.855 178.524 176.600 0.114 0.000 0.991 982 E CA 0.781 57.212 56.400 0.051 0.000 0.810 982 E CB -0.052 29.655 29.700 0.013 0.000 0.742 982 E HN 0.304 nan 8.360 nan 0.000 0.466 983 I N -0.014 120.612 120.570 0.094 0.000 2.277 983 I HA -0.190 3.981 4.170 0.001 0.000 0.243 983 I C 2.245 178.543 176.117 0.302 0.000 1.094 983 I CA 0.923 62.319 61.300 0.159 0.000 1.393 983 I CB -1.102 36.956 38.000 0.097 0.000 1.078 983 I HN 0.197 nan 8.210 nan 0.000 0.417 984 L N 0.412 121.785 121.223 0.250 0.000 2.131 984 L HA -0.217 4.123 4.340 0.001 0.000 0.210 984 L C 2.572 179.757 176.870 0.525 0.000 1.092 984 L CA 1.364 56.442 54.840 0.397 0.000 0.759 984 L CB -0.583 41.509 42.059 0.056 0.000 0.903 984 L HN 0.241 nan 8.230 nan 0.000 0.435 985 K N -0.442 120.146 120.400 0.313 0.000 2.025 985 K HA -0.189 4.131 4.320 0.001 0.000 0.207 985 K C 2.098 178.845 176.600 0.245 0.000 1.049 985 K CA 1.450 57.894 56.287 0.260 0.000 0.933 985 K CB -0.319 32.275 32.500 0.157 0.000 0.714 985 K HN 0.047 nan 8.250 nan 0.000 0.438 986 F N 2.347 122.367 119.950 0.117 0.000 2.087 986 F HA -0.298 4.229 4.527 0.001 0.000 0.299 986 F C 1.916 177.758 175.800 0.070 0.000 1.100 986 F CA 1.398 59.443 58.000 0.075 0.000 1.226 986 F CB -0.114 38.937 39.000 0.084 0.000 0.983 986 F HN -0.075 nan 8.300 nan 0.000 0.479 987 I N 0.684 121.428 120.570 0.290 0.000 2.163 987 I HA -0.308 3.863 4.170 0.001 0.000 0.243 987 I C 2.765 178.765 176.117 -0.195 0.000 1.085 987 I CA 1.542 62.913 61.300 0.119 0.000 1.347 987 I CB -2.290 35.833 38.000 0.204 0.000 1.044 987 I HN 0.264 nan 8.210 nan 0.000 0.408 988 A N 0.905 123.625 122.820 -0.167 0.000 1.877 988 A HA -0.204 4.116 4.320 0.001 0.000 0.216 988 A C 2.520 179.973 177.584 -0.219 0.000 1.186 988 A CA 1.473 53.340 52.037 -0.283 0.000 0.620 988 A CB -0.567 18.435 19.000 0.003 0.000 0.822 988 A HN 0.328 nan 8.150 nan 0.000 0.443 989 R N -0.348 120.038 120.500 -0.191 0.000 2.070 989 R HA -0.099 4.241 4.340 0.001 0.000 0.233 989 R C 1.938 178.035 176.300 -0.339 0.000 1.137 989 R CA 1.565 57.528 56.100 -0.228 0.000 0.945 989 R CB -0.373 29.798 30.300 -0.215 0.000 0.845 989 R HN 0.583 nan 8.270 nan 0.000 0.430 990 N N 0.331 118.714 118.700 -0.527 0.000 2.158 990 N HA -0.111 4.630 4.740 0.001 0.000 0.190 990 N C 1.360 176.488 175.510 -0.637 0.000 1.060 990 N CA 1.215 53.843 53.050 -0.703 0.000 0.872 990 N CB -0.747 37.063 38.487 -1.128 0.000 1.055 990 N HN 0.155 nan 8.380 nan 0.000 0.452 991 Y N 1.237 121.379 120.300 -0.262 0.000 2.542 991 Y HA 0.290 4.840 4.550 0.001 0.000 0.349 991 Y C 0.429 176.177 175.900 -0.252 0.000 1.215 991 Y CA 0.302 58.275 58.100 -0.213 0.000 1.253 991 Y CB -0.715 37.638 38.460 -0.177 0.000 1.120 991 Y HN 0.032 nan 8.280 nan 0.000 0.487 992 L N -1.426 119.668 121.223 -0.216 0.000 2.720 992 L HA 0.257 4.598 4.340 0.001 0.000 0.261 992 L C 0.279 177.040 176.870 -0.182 0.000 1.046 992 L CA -0.906 53.803 54.840 -0.219 0.000 0.886 992 L CB 1.916 43.768 42.059 -0.345 0.000 1.493 992 L HN -0.348 nan 8.230 nan 0.000 0.407 993 E N 0.482 120.600 120.200 -0.136 0.000 2.359 993 E HA 0.175 4.525 4.350 0.001 0.000 0.187 993 E C 0.608 177.157 176.600 -0.086 0.000 1.081 993 E CA 0.075 56.415 56.400 -0.101 0.000 0.929 993 E CB -0.053 29.605 29.700 -0.069 0.000 1.086 993 E HN 0.638 nan 8.360 nan 0.000 0.462 994 G N 0.000 108.737 108.800 -0.105 0.000 5.446 994 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 994 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925