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 2agv_1_B 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 0.000 176.234 176.300 -0.110 0.000 1.140 1 M CA 0.000 55.145 55.300 -0.259 0.000 0.988 1 M CB 0.000 32.333 32.600 -0.445 0.000 1.302 2 E N 0.006 120.167 120.200 -0.064 0.000 2.516 2 E HA 0.144 4.496 4.350 0.003 0.000 0.199 2 E C 0.882 177.493 176.600 0.018 0.000 1.069 2 E CA 1.135 57.537 56.400 0.003 0.000 0.876 2 E CB 0.304 30.023 29.700 0.032 0.000 0.843 2 E HN 0.612 nan 8.360 nan 0.000 0.530 3 A N 0.548 123.318 122.820 -0.082 0.000 2.345 3 A HA 0.542 4.864 4.320 0.003 0.000 0.225 3 A C 2.152 179.568 177.584 -0.281 0.000 1.243 3 A CA 0.441 52.383 52.037 -0.158 0.000 0.875 3 A CB -0.216 18.674 19.000 -0.182 0.000 0.929 3 A HN 0.387 nan 8.150 nan 0.000 0.502 4 A N 1.265 124.002 122.820 -0.139 0.000 1.940 4 A HA -0.315 4.007 4.320 0.003 0.000 0.221 4 A C 2.052 179.568 177.584 -0.114 0.000 1.190 4 A CA 2.057 54.034 52.037 -0.100 0.000 0.647 4 A CB -1.196 17.800 19.000 -0.006 0.000 0.821 4 A HN 0.911 nan 8.150 nan 0.000 0.457 5 H N 0.030 119.087 119.070 -0.021 0.000 2.390 5 H HA -0.122 4.435 4.556 0.003 0.000 0.298 5 H C 1.954 177.273 175.328 -0.014 0.000 1.106 5 H CA 2.007 58.045 56.048 -0.016 0.000 1.297 5 H CB -0.882 28.883 29.762 0.004 0.000 1.375 5 H HN 0.606 nan 8.280 nan 0.000 0.509 6 S N 0.213 115.511 115.700 -0.669 0.000 2.527 6 S HA 0.080 4.552 4.470 0.003 0.000 0.222 6 S C 0.850 175.337 174.600 -0.189 0.000 0.985 6 S CA -0.338 57.649 58.200 -0.356 0.000 0.921 6 S CB 0.277 63.217 63.200 -0.434 0.000 0.772 6 S HN 0.097 nan 8.310 nan 0.000 0.529 7 K N 2.985 123.278 120.400 -0.179 0.000 2.118 7 K HA 0.399 4.721 4.320 0.003 0.000 0.264 7 K C 0.583 177.149 176.600 -0.055 0.000 1.000 7 K CA -0.115 56.110 56.287 -0.104 0.000 0.929 7 K CB 1.403 33.841 32.500 -0.103 0.000 1.021 7 K HN 0.450 nan 8.250 nan 0.000 0.463 8 S N -0.425 115.256 115.700 -0.032 0.000 2.624 8 S HA 0.026 4.497 4.470 0.003 0.000 0.263 8 S C 1.337 175.937 174.600 0.000 0.000 1.287 8 S CA -0.107 58.084 58.200 -0.015 0.000 0.990 8 S CB 0.957 64.152 63.200 -0.009 0.000 0.950 8 S HN 0.560 nan 8.310 nan 0.000 0.561 9 T N 0.436 114.995 114.554 0.007 0.000 2.833 9 T HA -0.062 4.290 4.350 0.003 0.000 0.269 9 T C 1.446 176.164 174.700 0.031 0.000 1.054 9 T CA 1.819 63.930 62.100 0.018 0.000 1.135 9 T CB -0.644 68.231 68.868 0.012 0.000 0.869 9 T HN 0.719 nan 8.240 nan 0.000 0.466 10 E N 0.989 121.203 120.200 0.024 0.000 2.046 10 E HA -0.028 4.324 4.350 0.003 0.000 0.190 10 E C 2.227 178.856 176.600 0.048 0.000 0.982 10 E CA 1.051 57.470 56.400 0.032 0.000 0.800 10 E CB -0.169 29.543 29.700 0.020 0.000 0.756 10 E HN 0.577 nan 8.360 nan 0.000 0.449 11 E N -0.421 119.802 120.200 0.038 0.000 2.118 11 E HA -0.178 4.174 4.350 0.003 0.000 0.195 11 E C 1.876 178.531 176.600 0.092 0.000 0.992 11 E CA 1.222 57.651 56.400 0.048 0.000 0.804 11 E CB -0.110 29.598 29.700 0.013 0.000 0.741 11 E HN 0.280 nan 8.360 nan 0.000 0.458 12 C N 0.239 119.596 119.300 0.096 0.000 2.450 12 C HA -0.016 4.446 4.460 0.003 0.000 0.279 12 C C 2.473 177.635 174.990 0.286 0.000 1.335 12 C CA 0.174 59.302 59.018 0.183 0.000 1.749 12 C CB -0.764 27.067 27.740 0.152 0.000 1.963 12 C HN 0.394 nan 8.230 nan 0.000 0.501 13 L N 1.168 122.501 121.223 0.183 0.000 2.056 13 L HA -0.102 4.239 4.340 0.003 0.000 0.207 13 L C 2.911 179.890 176.870 0.181 0.000 1.078 13 L CA 1.539 56.485 54.840 0.176 0.000 0.749 13 L CB -0.765 41.353 42.059 0.099 0.000 0.901 13 L HN 0.311 nan 8.230 nan 0.000 0.433 14 A N -0.573 122.327 122.820 0.135 0.000 1.877 14 A HA -0.299 4.023 4.320 0.003 0.000 0.216 14 A C 2.209 179.850 177.584 0.096 0.000 1.186 14 A CA 1.604 53.699 52.037 0.096 0.000 0.620 14 A CB -1.001 18.039 19.000 0.067 0.000 0.822 14 A HN 0.466 nan 8.150 nan 0.000 0.443 15 Y N -0.800 119.496 120.300 -0.008 0.000 2.151 15 Y HA -0.237 4.314 4.550 0.003 0.000 0.284 15 Y C 1.638 177.443 175.900 -0.158 0.000 1.166 15 Y CA 2.165 60.181 58.100 -0.140 0.000 1.163 15 Y CB -0.281 38.007 38.460 -0.287 0.000 0.974 15 Y HN 0.276 nan 8.280 nan 0.000 0.511 16 F N -0.207 119.830 119.950 0.145 0.000 2.776 16 F HA 0.279 4.808 4.527 0.003 0.000 0.300 16 F C 1.739 177.601 175.800 0.104 0.000 1.116 16 F CA 0.630 58.702 58.000 0.120 0.000 1.375 16 F CB -0.087 39.057 39.000 0.240 0.000 1.109 16 F HN 0.089 nan 8.300 nan 0.000 0.585 17 G N 1.727 110.648 108.800 0.202 0.000 2.295 17 G HA2 -0.175 3.786 3.960 0.003 0.000 0.287 17 G HA3 -0.175 3.786 3.960 0.003 0.000 0.287 17 G C -0.375 174.603 174.900 0.129 0.000 1.055 17 G CA 0.381 45.557 45.100 0.126 0.000 0.922 17 G HN 0.359 nan 8.290 nan 0.000 0.503 18 V N -0.776 119.224 119.914 0.144 0.000 2.864 18 V HA 0.878 5.000 4.120 0.003 0.000 0.314 18 V C 0.248 176.380 176.094 0.064 0.000 1.073 18 V CA -0.000 62.356 62.300 0.093 0.000 0.956 18 V CB 2.223 34.105 31.823 0.098 0.000 1.023 18 V HN 0.861 nan 8.190 nan 0.000 0.435 19 S N 2.843 118.564 115.700 0.036 0.000 2.462 19 S HA 0.317 4.789 4.470 0.003 0.000 0.294 19 S C 0.842 175.446 174.600 0.007 0.000 1.144 19 S CA 0.012 58.224 58.200 0.019 0.000 1.088 19 S CB 1.391 64.596 63.200 0.008 0.000 1.009 19 S HN 0.977 nan 8.310 nan 0.000 0.484 20 E N 2.330 122.528 120.200 -0.003 0.000 2.160 20 E HA -0.155 4.197 4.350 0.003 0.000 0.195 20 E C 1.527 178.082 176.600 -0.074 0.000 0.991 20 E CA 1.781 58.166 56.400 -0.026 0.000 0.810 20 E CB -0.006 29.678 29.700 -0.026 0.000 0.742 20 E HN 0.858 nan 8.360 nan 0.000 0.466 21 T N -3.075 111.437 114.554 -0.071 0.000 3.067 21 T HA -0.009 4.343 4.350 0.003 0.000 0.257 21 T C 1.793 176.442 174.700 -0.086 0.000 1.105 21 T CA 1.098 63.132 62.100 -0.109 0.000 1.104 21 T CB 0.153 68.974 68.868 -0.077 0.000 0.925 21 T HN 0.190 nan 8.240 nan 0.000 0.498 22 T N -2.475 112.061 114.554 -0.031 0.000 2.964 22 T HA 0.557 4.909 4.350 0.003 0.000 0.249 22 T C 1.337 176.063 174.700 0.044 0.000 1.000 22 T CA 0.444 62.548 62.100 0.007 0.000 0.992 22 T CB -0.059 68.813 68.868 0.006 0.000 1.087 22 T HN 1.113 nan 8.240 nan 0.000 0.489 23 G N 1.689 110.511 108.800 0.036 0.000 2.728 23 G HA2 -0.079 3.883 3.960 0.003 0.000 0.294 23 G HA3 -0.079 3.883 3.960 0.003 0.000 0.294 23 G C -0.689 174.218 174.900 0.012 0.000 1.342 23 G CA -0.588 44.540 45.100 0.047 0.000 0.866 23 G HN 0.632 nan 8.290 nan 0.000 0.534 24 L N 0.932 122.146 121.223 -0.014 0.000 2.467 24 L HA 0.464 4.805 4.340 0.003 0.000 0.270 24 L C 1.743 178.583 176.870 -0.050 0.000 1.205 24 L CA 0.187 54.990 54.840 -0.061 0.000 0.828 24 L CB 0.582 42.563 42.059 -0.129 0.000 1.101 24 L HN 1.011 nan 8.230 nan 0.000 0.479 25 T N -1.922 112.594 114.554 -0.064 0.000 2.918 25 T HA 0.286 4.638 4.350 0.003 0.000 0.283 25 T C -1.670 172.997 174.700 -0.055 0.000 1.001 25 T CA -1.875 60.199 62.100 -0.043 0.000 1.041 25 T CB 1.444 70.293 68.868 -0.032 0.000 1.028 25 T HN 0.445 nan 8.240 nan 0.000 0.511 26 P HA -0.127 nan 4.420 nan 0.000 0.220 26 P C 0.803 178.083 177.300 -0.033 0.000 1.144 26 P CA 1.250 64.333 63.100 -0.029 0.000 0.800 26 P CB 0.110 31.801 31.700 -0.015 0.000 0.772 27 D N -0.258 120.121 120.400 -0.035 0.000 2.137 27 D HA -0.128 4.514 4.640 0.003 0.000 0.202 27 D C 2.232 178.502 176.300 -0.049 0.000 0.970 27 D CA 1.075 55.057 54.000 -0.029 0.000 0.837 27 D CB -0.363 40.426 40.800 -0.019 0.000 0.981 27 D HN 0.081 nan 8.370 nan 0.000 0.475 28 Q N -0.313 119.425 119.800 -0.103 0.000 2.084 28 Q HA -0.093 4.248 4.340 0.003 0.000 0.202 28 Q C 2.356 178.185 176.000 -0.286 0.000 0.978 28 Q CA 1.132 56.787 55.803 -0.246 0.000 0.844 28 Q CB 0.064 28.578 28.738 -0.372 0.000 0.898 28 Q HN 0.208 nan 8.270 nan 0.000 0.426 29 V N 1.326 121.137 119.914 -0.173 0.000 2.332 29 V HA -0.303 3.818 4.120 0.003 0.000 0.248 29 V C 1.967 178.050 176.094 -0.017 0.000 1.055 29 V CA 1.948 64.196 62.300 -0.087 0.000 1.038 29 V CB -0.391 31.400 31.823 -0.053 0.000 0.651 29 V HN 0.315 nan 8.190 nan 0.000 0.450 30 K N -0.312 120.079 120.400 -0.015 0.000 2.031 30 K HA -0.086 4.235 4.320 0.003 0.000 0.205 30 K C 2.387 179.001 176.600 0.023 0.000 1.049 30 K CA 1.172 57.460 56.287 0.002 0.000 0.939 30 K CB -0.229 32.271 32.500 -0.000 0.000 0.717 30 K HN 0.371 nan 8.250 nan 0.000 0.438 31 R N 0.118 120.644 120.500 0.043 0.000 2.073 31 R HA -0.078 4.263 4.340 0.003 0.000 0.234 31 R C 2.223 178.603 176.300 0.134 0.000 1.134 31 R CA 1.443 57.588 56.100 0.075 0.000 0.952 31 R CB -0.405 29.957 30.300 0.104 0.000 0.850 31 R HN 0.422 nan 8.270 nan 0.000 0.433 32 H N -0.187 118.901 119.070 0.030 0.000 2.421 32 H HA -0.116 4.442 4.556 0.003 0.000 0.298 32 H C 2.064 177.452 175.328 0.100 0.000 1.087 32 H CA 1.002 57.127 56.048 0.128 0.000 1.330 32 H CB 0.135 30.039 29.762 0.237 0.000 1.388 32 H HN 0.068 nan 8.280 nan 0.000 0.526 33 L N 1.293 122.599 121.223 0.139 0.000 2.027 33 L HA -0.120 4.222 4.340 0.003 0.000 0.206 33 L C 1.973 178.808 176.870 -0.058 0.000 1.074 33 L CA 1.622 56.457 54.840 -0.009 0.000 0.745 33 L CB -0.144 41.855 42.059 -0.099 0.000 0.898 33 L HN -0.003 nan 8.230 nan 0.000 0.433 34 E N -0.359 119.816 120.200 -0.043 0.000 2.204 34 E HA -0.202 4.149 4.350 0.003 0.000 0.194 34 E C 2.116 178.661 176.600 -0.092 0.000 0.989 34 E CA 0.989 57.358 56.400 -0.052 0.000 0.824 34 E CB -0.133 29.546 29.700 -0.034 0.000 0.756 34 E HN 0.473 nan 8.360 nan 0.000 0.477 35 K N -0.905 119.388 120.400 -0.179 0.000 2.098 35 K HA -0.072 4.250 4.320 0.003 0.000 0.203 35 K C 0.994 177.358 176.600 -0.394 0.000 1.051 35 K CA 0.921 56.984 56.287 -0.374 0.000 0.957 35 K CB 0.025 32.122 32.500 -0.672 0.000 0.738 35 K HN 0.135 nan 8.250 nan 0.000 0.447 36 Y N -0.001 120.307 120.300 0.013 0.000 2.458 36 Y HA 0.303 4.854 4.550 0.003 0.000 0.254 36 Y C 0.990 176.895 175.900 0.009 0.000 1.120 36 Y CA 0.218 58.329 58.100 0.019 0.000 1.282 36 Y CB 0.607 39.087 38.460 0.033 0.000 1.109 36 Y HN 0.315 nan 8.280 nan 0.000 0.526 37 G N 0.146 108.996 108.800 0.084 0.000 2.782 37 G HA2 -0.217 3.745 3.960 0.003 0.000 0.228 37 G HA3 -0.217 3.745 3.960 0.003 0.000 0.228 37 G C -0.713 174.178 174.900 -0.015 0.000 1.372 37 G CA -0.719 44.403 45.100 0.036 0.000 0.862 37 G HN 0.325 nan 8.290 nan 0.000 0.547 38 H N 0.114 119.231 119.070 0.078 0.000 2.615 38 H HA 0.262 4.819 4.556 0.003 0.000 0.363 38 H C 0.913 176.278 175.328 0.061 0.000 1.148 38 H CA 0.366 56.453 56.048 0.064 0.000 1.401 38 H CB 1.061 30.850 29.762 0.045 0.000 1.461 38 H HN 0.514 nan 8.280 nan 0.000 0.588 39 N N 2.325 121.124 118.700 0.164 0.000 2.807 39 N HA -0.008 4.733 4.740 0.003 0.000 0.259 39 N C -0.861 174.705 175.510 0.093 0.000 1.149 39 N CA -0.163 52.948 53.050 0.102 0.000 1.042 39 N CB -0.100 38.428 38.487 0.068 0.000 1.367 39 N HN 0.686 nan 8.380 nan 0.000 0.516 40 E N 1.247 121.502 120.200 0.091 0.000 2.396 40 E HA 0.189 4.541 4.350 0.003 0.000 0.280 40 E C -1.601 175.034 176.600 0.059 0.000 1.065 40 E CA -0.872 55.568 56.400 0.066 0.000 0.831 40 E CB 0.306 30.040 29.700 0.056 0.000 1.272 40 E HN 0.021 nan 8.360 nan 0.000 0.443 41 L N 2.448 123.697 121.223 0.043 0.000 2.371 41 L HA 0.364 4.706 4.340 0.003 0.000 0.272 41 L C -1.916 174.971 176.870 0.028 0.000 1.124 41 L CA -1.568 53.293 54.840 0.036 0.000 0.816 41 L CB -0.203 41.872 42.059 0.028 0.000 1.129 41 L HN 0.478 nan 8.230 nan 0.000 0.448 42 P HA 0.032 nan 4.420 nan 0.000 0.266 42 P C -0.865 176.441 177.300 0.010 0.000 1.193 42 P CA -0.339 62.774 63.100 0.022 0.000 0.770 42 P CB 0.480 32.194 31.700 0.023 0.000 0.836 43 A N 2.990 125.814 122.820 0.005 0.000 2.388 43 A HA 0.215 4.537 4.320 0.003 0.000 0.257 43 A C 0.592 178.175 177.584 -0.002 0.000 1.095 43 A CA -0.611 51.425 52.037 -0.003 0.000 0.791 43 A CB -0.334 18.662 19.000 -0.006 0.000 1.029 43 A HN 0.652 nan 8.150 nan 0.000 0.489 44 E N 1.641 121.837 120.200 -0.007 0.000 2.502 44 E HA 0.104 4.456 4.350 0.003 0.000 0.261 44 E C -0.297 176.300 176.600 -0.004 0.000 0.974 44 E CA -0.188 56.208 56.400 -0.008 0.000 0.936 44 E CB 0.349 30.040 29.700 -0.014 0.000 0.926 44 E HN 0.497 nan 8.360 nan 0.000 0.459 45 E N 2.450 122.649 120.200 -0.001 0.000 2.351 45 E HA 0.135 4.487 4.350 0.003 0.000 0.266 45 E C 0.081 176.683 176.600 0.003 0.000 1.031 45 E CA 0.368 56.770 56.400 0.003 0.000 0.911 45 E CB 0.575 30.278 29.700 0.005 0.000 0.986 45 E HN 0.598 nan 8.360 nan 0.000 0.446 46 G N 4.313 113.117 108.800 0.006 0.000 2.432 46 G HA2 0.077 4.038 3.960 0.003 0.000 0.239 46 G HA3 0.077 4.038 3.960 0.003 0.000 0.239 46 G C -0.530 174.379 174.900 0.016 0.000 1.291 46 G CA -0.251 44.855 45.100 0.009 0.000 0.863 46 G HN 0.471 nan 8.290 nan 0.000 0.560 47 K N 1.321 121.731 120.400 0.018 0.000 2.616 47 K HA 0.362 4.683 4.320 0.003 0.000 0.241 47 K C 0.488 177.111 176.600 0.039 0.000 0.961 47 K CA -0.537 55.766 56.287 0.026 0.000 0.942 47 K CB 0.786 33.294 32.500 0.013 0.000 1.153 47 K HN 0.633 nan 8.250 nan 0.000 0.452 48 S N 3.301 119.038 115.700 0.062 0.000 2.576 48 S HA -0.019 4.453 4.470 0.003 0.000 0.272 48 S C 1.297 175.957 174.600 0.099 0.000 1.352 48 S CA -0.644 57.607 58.200 0.086 0.000 1.021 48 S CB 0.830 64.102 63.200 0.119 0.000 0.887 48 S HN 0.668 nan 8.310 nan 0.000 0.542 49 L N 1.936 123.223 121.223 0.107 0.000 2.012 49 L HA -0.041 4.301 4.340 0.003 0.000 0.210 49 L C 2.105 179.043 176.870 0.114 0.000 1.073 49 L CA 1.941 56.839 54.840 0.095 0.000 0.748 49 L CB -0.995 41.127 42.059 0.104 0.000 0.891 49 L HN 0.927 nan 8.230 nan 0.000 0.431 50 W N 0.849 122.162 121.300 0.021 0.000 2.381 50 W HA -0.181 4.481 4.660 0.002 0.000 0.301 50 W C 2.143 178.679 176.519 0.029 0.000 1.205 50 W CA 1.948 59.307 57.345 0.024 0.000 1.285 50 W CB -0.116 29.352 29.460 0.013 0.000 1.133 50 W HN 0.361 nan 8.180 nan 0.000 0.521 51 E N 0.351 120.690 120.200 0.231 0.000 2.110 51 E HA -0.261 4.091 4.350 0.003 0.000 0.193 51 E C 2.048 178.664 176.600 0.026 0.000 0.988 51 E CA 1.429 57.913 56.400 0.141 0.000 0.804 51 E CB -0.580 29.196 29.700 0.125 0.000 0.745 51 E HN 0.142 nan 8.360 nan 0.000 0.458 52 L N 0.889 122.118 121.223 0.011 0.000 1.976 52 L HA -0.181 4.161 4.340 0.003 0.000 0.209 52 L C 2.300 179.135 176.870 -0.059 0.000 1.071 52 L CA 1.485 56.315 54.840 -0.017 0.000 0.746 52 L CB -0.678 41.376 42.059 -0.009 0.000 0.890 52 L HN -0.065 nan 8.230 nan 0.000 0.432 53 V N 0.374 120.220 119.914 -0.113 0.000 2.250 53 V HA -0.392 3.730 4.120 0.003 0.000 0.253 53 V C 2.573 178.620 176.094 -0.079 0.000 1.065 53 V CA 2.159 64.371 62.300 -0.146 0.000 1.039 53 V CB -0.869 30.751 31.823 -0.339 0.000 0.647 53 V HN 0.451 nan 8.190 nan 0.000 0.446 54 I N 0.083 120.540 120.570 -0.189 0.000 2.248 54 I HA -0.243 3.928 4.170 0.003 0.000 0.248 54 I C 2.503 178.647 176.117 0.045 0.000 1.107 54 I CA 1.675 62.932 61.300 -0.071 0.000 1.373 54 I CB -1.393 36.569 38.000 -0.064 0.000 1.055 54 I HN 0.537 nan 8.210 nan 0.000 0.418 55 E N 0.323 120.528 120.200 0.009 0.000 2.152 55 E HA -0.184 4.168 4.350 0.003 0.000 0.192 55 E C 1.806 178.397 176.600 -0.015 0.000 0.983 55 E CA 0.502 56.907 56.400 0.009 0.000 0.818 55 E CB -0.141 29.556 29.700 -0.005 0.000 0.758 55 E HN 0.503 nan 8.360 nan 0.000 0.467 56 Q N -0.434 119.332 119.800 -0.056 0.000 2.561 56 Q HA -0.077 4.265 4.340 0.003 0.000 0.217 56 Q C 0.371 176.140 176.000 -0.384 0.000 0.980 56 Q CA 0.893 56.575 55.803 -0.203 0.000 0.927 56 Q CB -0.023 28.560 28.738 -0.259 0.000 0.980 56 Q HN 0.299 nan 8.270 nan 0.000 0.525 57 F N -1.051 118.856 119.950 -0.072 0.000 2.814 57 F HA 0.220 4.749 4.527 0.003 0.000 0.326 57 F C 1.535 177.306 175.800 -0.047 0.000 1.159 57 F CA -0.369 57.592 58.000 -0.064 0.000 1.234 57 F CB 0.712 39.661 39.000 -0.084 0.000 1.016 57 F HN 0.008 nan 8.300 nan 0.000 0.510 58 E N 0.011 120.251 120.200 0.067 0.000 2.307 58 E HA -0.052 4.300 4.350 0.003 0.000 0.195 58 E C 0.338 176.951 176.600 0.021 0.000 0.975 58 E CA 0.001 56.428 56.400 0.044 0.000 0.878 58 E CB 0.283 29.996 29.700 0.023 0.000 0.845 58 E HN 0.276 nan 8.360 nan 0.000 0.488 59 D N 0.176 120.573 120.400 -0.004 0.000 2.478 59 D HA -0.120 4.522 4.640 0.003 0.000 0.234 59 D C 1.115 177.413 176.300 -0.004 0.000 1.154 59 D CA 0.233 54.225 54.000 -0.013 0.000 0.874 59 D CB 0.835 41.613 40.800 -0.036 0.000 1.198 59 D HN 0.055 nan 8.370 nan 0.000 0.455 60 L N 2.834 124.049 121.223 -0.013 0.000 2.093 60 L HA -0.131 4.211 4.340 0.003 0.000 0.208 60 L C 2.025 178.879 176.870 -0.027 0.000 1.085 60 L CA 0.808 55.635 54.840 -0.021 0.000 0.755 60 L CB -0.117 41.920 42.059 -0.037 0.000 0.904 60 L HN 0.606 nan 8.230 nan 0.000 0.435 61 L N -1.024 120.179 121.223 -0.034 0.000 2.156 61 L HA -0.120 4.221 4.340 0.003 0.000 0.208 61 L C 2.494 179.355 176.870 -0.015 0.000 1.095 61 L CA 0.832 55.651 54.840 -0.036 0.000 0.770 61 L CB -0.619 41.417 42.059 -0.038 0.000 0.914 61 L HN 0.243 nan 8.230 nan 0.000 0.439 62 V N -2.729 117.177 119.914 -0.014 0.000 2.809 62 V HA -0.141 3.981 4.120 0.003 0.000 0.256 62 V C 2.399 178.540 176.094 0.079 0.000 1.080 62 V CA 1.093 63.393 62.300 -0.000 0.000 1.102 62 V CB -0.671 31.102 31.823 -0.083 0.000 0.705 62 V HN 0.357 nan 8.190 nan 0.000 0.475 63 R N -0.193 120.345 120.500 0.062 0.000 2.062 63 R HA 0.122 4.463 4.340 0.003 0.000 0.226 63 R C 2.382 178.704 176.300 0.036 0.000 1.125 63 R CA 1.519 57.660 56.100 0.068 0.000 0.966 63 R CB -0.310 30.015 30.300 0.041 0.000 0.861 63 R HN 0.403 nan 8.270 nan 0.000 0.433 64 I N 1.417 121.993 120.570 0.011 0.000 2.163 64 I HA -0.283 3.889 4.170 0.003 0.000 0.243 64 I C 2.382 178.506 176.117 0.011 0.000 1.085 64 I CA 1.570 62.867 61.300 -0.004 0.000 1.347 64 I CB -1.035 36.950 38.000 -0.025 0.000 1.044 64 I HN 0.216 nan 8.210 nan 0.000 0.408 65 L N -0.300 120.936 121.223 0.022 0.000 2.027 65 L HA -0.221 4.120 4.340 0.003 0.000 0.206 65 L C 2.650 179.553 176.870 0.055 0.000 1.074 65 L CA 0.895 55.756 54.840 0.035 0.000 0.745 65 L CB -0.604 41.474 42.059 0.032 0.000 0.898 65 L HN 0.221 nan 8.230 nan 0.000 0.433 66 L N 0.080 121.349 121.223 0.077 0.000 2.021 66 L HA -0.270 4.071 4.340 0.003 0.000 0.215 66 L C 2.416 179.310 176.870 0.041 0.000 1.074 66 L CA 1.790 56.677 54.840 0.078 0.000 0.760 66 L CB -0.601 41.516 42.059 0.097 0.000 0.889 66 L HN 0.162 nan 8.230 nan 0.000 0.433 67 L N 0.052 121.294 121.223 0.032 0.000 1.970 67 L HA -0.133 4.209 4.340 0.003 0.000 0.212 67 L C 2.548 179.445 176.870 0.045 0.000 1.071 67 L CA 2.351 57.206 54.840 0.025 0.000 0.751 67 L CB -1.467 40.595 42.059 0.005 0.000 0.889 67 L HN 0.293 nan 8.230 nan 0.000 0.432 68 A N -0.353 122.491 122.820 0.040 0.000 1.948 68 A HA -0.196 4.126 4.320 0.003 0.000 0.220 68 A C 2.457 180.100 177.584 0.099 0.000 1.177 68 A CA 2.255 54.326 52.037 0.057 0.000 0.636 68 A CB -1.294 17.733 19.000 0.044 0.000 0.815 68 A HN 0.693 nan 8.150 nan 0.000 0.449 69 A N -1.203 121.674 122.820 0.095 0.000 1.933 69 A HA -0.153 4.168 4.320 0.003 0.000 0.218 69 A C 2.313 180.002 177.584 0.175 0.000 1.175 69 A CA 1.643 53.755 52.037 0.125 0.000 0.628 69 A CB -1.216 17.833 19.000 0.083 0.000 0.814 69 A HN 0.612 nan 8.150 nan 0.000 0.444 70 C N -0.332 119.049 119.300 0.135 0.000 2.432 70 C HA -0.073 4.388 4.460 0.003 0.000 0.277 70 C C 2.559 177.698 174.990 0.248 0.000 1.249 70 C CA 0.789 59.912 59.018 0.175 0.000 1.725 70 C CB -1.053 26.746 27.740 0.098 0.000 2.028 70 C HN 0.586 nan 8.230 nan 0.000 0.477 71 I N 0.972 121.665 120.570 0.205 0.000 2.179 71 I HA -0.150 4.022 4.170 0.003 0.000 0.242 71 I C 2.713 178.991 176.117 0.269 0.000 1.088 71 I CA 1.718 63.169 61.300 0.251 0.000 1.357 71 I CB -1.829 36.297 38.000 0.209 0.000 1.051 71 I HN 0.329 nan 8.210 nan 0.000 0.409 72 S N 0.738 116.585 115.700 0.245 0.000 2.370 72 S HA -0.240 4.232 4.470 0.003 0.000 0.226 72 S C 2.125 176.926 174.600 0.335 0.000 1.033 72 S CA 1.377 59.729 58.200 0.253 0.000 1.011 72 S CB -0.507 62.831 63.200 0.228 0.000 0.852 72 S HN 0.369 nan 8.310 nan 0.000 0.457 73 F N 2.121 122.210 119.950 0.233 0.000 2.102 73 F HA -0.045 4.484 4.527 0.003 0.000 0.298 73 F C 2.163 178.178 175.800 0.359 0.000 1.105 73 F CA 1.597 59.781 58.000 0.307 0.000 1.239 73 F CB -0.820 38.285 39.000 0.175 0.000 0.991 73 F HN 0.066 nan 8.300 nan 0.000 0.474 74 V N 0.268 120.324 119.914 0.237 0.000 2.287 74 V HA -0.309 3.812 4.120 0.003 0.000 0.248 74 V C 2.440 178.660 176.094 0.211 0.000 1.053 74 V CA 1.779 64.164 62.300 0.142 0.000 1.027 74 V CB -0.838 31.094 31.823 0.182 0.000 0.646 74 V HN 0.295 nan 8.190 nan 0.000 0.447 75 L N 0.461 121.813 121.223 0.216 0.000 2.017 75 L HA -0.110 4.231 4.340 0.003 0.000 0.208 75 L C 2.595 179.528 176.870 0.106 0.000 1.073 75 L CA 2.307 57.254 54.840 0.179 0.000 0.745 75 L CB -1.224 40.937 42.059 0.170 0.000 0.894 75 L HN 0.295 nan 8.230 nan 0.000 0.432 76 A N -1.679 121.193 122.820 0.087 0.000 2.076 76 A HA -0.248 4.074 4.320 0.003 0.000 0.220 76 A C 2.139 179.596 177.584 -0.213 0.000 1.160 76 A CA 1.438 53.406 52.037 -0.114 0.000 0.653 76 A CB -0.809 18.134 19.000 -0.095 0.000 0.801 76 A HN 0.661 nan 8.150 nan 0.000 0.455 77 W N -1.012 120.197 121.300 -0.152 0.000 2.651 77 W HA 0.075 4.737 4.660 0.002 0.000 0.311 77 W C 0.293 176.815 176.519 0.004 0.000 1.114 77 W CA 0.538 57.837 57.345 -0.077 0.000 1.490 77 W CB -0.637 28.758 29.460 -0.108 0.000 1.182 77 W HN 0.274 nan 8.180 nan 0.000 0.495 78 F N 3.580 123.688 119.950 0.264 0.000 2.659 78 F HA 0.148 4.677 4.527 0.003 0.000 0.356 78 F C 0.216 176.016 175.800 0.000 0.000 1.273 78 F CA 0.641 58.718 58.000 0.128 0.000 1.243 78 F CB -0.954 38.131 39.000 0.141 0.000 1.683 78 F HN -0.061 nan 8.300 nan 0.000 0.679 79 E N 1.676 121.724 120.200 -0.253 0.000 2.428 79 E HA 0.389 4.741 4.350 0.003 0.000 0.259 79 E C -1.115 175.294 176.600 -0.319 0.000 0.930 79 E CA -0.753 55.465 56.400 -0.303 0.000 0.823 79 E CB 1.577 31.150 29.700 -0.212 0.000 1.403 79 E HN 0.360 nan 8.360 nan 0.000 0.415 80 E N -0.039 120.010 120.200 -0.252 0.000 2.580 80 E HA 0.478 4.830 4.350 0.003 0.000 0.248 80 E C -0.649 175.855 176.600 -0.161 0.000 1.018 80 E CA -0.485 55.790 56.400 -0.208 0.000 0.775 80 E CB 1.577 31.158 29.700 -0.199 0.000 1.378 80 E HN 0.634 nan 8.360 nan 0.000 0.401 81 G N 1.569 110.273 108.800 -0.159 0.000 2.428 81 G HA2 0.218 4.180 3.960 0.003 0.000 0.305 81 G HA3 0.218 4.180 3.960 0.003 0.000 0.305 81 G C -0.573 174.246 174.900 -0.135 0.000 1.260 81 G CA -0.572 44.448 45.100 -0.133 0.000 0.853 81 G HN 0.280 nan 8.290 nan 0.000 0.480 82 E N -0.886 119.243 120.200 -0.119 0.000 2.712 82 E HA 0.102 4.454 4.350 0.003 0.000 0.221 82 E C -0.322 176.214 176.600 -0.107 0.000 0.943 82 E CA 0.116 56.449 56.400 -0.112 0.000 1.259 82 E CB 0.496 30.143 29.700 -0.088 0.000 1.167 82 E HN 0.409 nan 8.360 nan 0.000 0.569 83 E N 1.476 121.610 120.200 -0.110 0.000 2.351 83 E HA 0.056 4.408 4.350 0.003 0.000 0.236 83 E C 0.925 177.450 176.600 -0.125 0.000 1.341 83 E CA 0.210 56.550 56.400 -0.101 0.000 1.579 83 E CB 0.449 30.096 29.700 -0.090 0.000 1.393 83 E HN 0.119 nan 8.360 nan 0.000 0.438 84 T N -0.025 114.444 114.554 -0.142 0.000 3.025 84 T HA -0.127 4.225 4.350 0.003 0.000 0.270 84 T C 1.531 176.161 174.700 -0.116 0.000 1.126 84 T CA 0.498 62.492 62.100 -0.177 0.000 1.105 84 T CB -0.260 68.502 68.868 -0.175 0.000 0.884 84 T HN 0.349 nan 8.240 nan 0.000 0.522 85 I N 1.120 121.640 120.570 -0.084 0.000 2.700 85 I HA 0.021 4.192 4.170 0.003 0.000 0.261 85 I C 1.700 177.783 176.117 -0.058 0.000 1.219 85 I CA 1.382 62.648 61.300 -0.057 0.000 1.463 85 I CB -0.102 37.866 38.000 -0.053 0.000 1.092 85 I HN 0.238 nan 8.210 nan 0.000 0.452 86 T N -1.414 113.092 114.554 -0.080 0.000 3.541 86 T HA 0.486 4.838 4.350 0.003 0.000 0.309 86 T C 1.143 175.790 174.700 -0.090 0.000 0.973 86 T CA 0.309 62.363 62.100 -0.077 0.000 0.993 86 T CB -0.307 68.506 68.868 -0.093 0.000 1.206 86 T HN 0.253 nan 8.240 nan 0.000 0.489 87 A N 0.427 123.159 122.820 -0.147 0.000 1.878 87 A HA 0.336 4.657 4.320 0.003 0.000 0.213 87 A C 1.079 178.537 177.584 -0.209 0.000 1.192 87 A CA 0.713 52.591 52.037 -0.265 0.000 0.619 87 A CB -0.450 18.252 19.000 -0.497 0.000 0.837 87 A HN 0.504 nan 8.150 nan 0.000 0.446 88 F N -0.230 119.748 119.950 0.046 0.000 2.692 88 F HA 0.171 4.700 4.527 0.003 0.000 0.303 88 F C 1.811 177.697 175.800 0.143 0.000 1.114 88 F CA -0.509 57.564 58.000 0.122 0.000 1.361 88 F CB -0.279 38.802 39.000 0.136 0.000 1.063 88 F HN -0.024 nan 8.300 nan 0.000 0.550 89 V N -0.106 119.939 119.914 0.218 0.000 2.244 89 V HA -0.285 3.836 4.120 0.003 0.000 0.244 89 V C 2.490 178.712 176.094 0.214 0.000 1.042 89 V CA 2.219 64.626 62.300 0.179 0.000 1.006 89 V CB -0.456 31.383 31.823 0.027 0.000 0.641 89 V HN 0.363 nan 8.190 nan 0.000 0.446 90 E N 0.804 121.097 120.200 0.156 0.000 2.035 90 E HA -0.247 4.105 4.350 0.003 0.000 0.204 90 E C -0.073 176.655 176.600 0.215 0.000 1.025 90 E CA 2.382 58.874 56.400 0.153 0.000 0.835 90 E CB -1.044 28.731 29.700 0.125 0.000 0.764 90 E HN 0.505 nan 8.360 nan 0.000 0.457 91 P HA -0.182 nan 4.420 nan 0.000 0.215 91 P C 1.496 178.978 177.300 0.304 0.000 1.153 91 P CA 1.212 64.510 63.100 0.331 0.000 0.853 91 P CB -0.324 31.683 31.700 0.511 0.000 0.788 92 F N 1.209 121.268 119.950 0.181 0.000 2.102 92 F HA -0.162 4.366 4.527 0.003 0.000 0.298 92 F C 2.264 178.117 175.800 0.088 0.000 1.105 92 F CA 1.171 59.240 58.000 0.115 0.000 1.239 92 F CB -1.100 37.971 39.000 0.118 0.000 0.991 92 F HN -0.318 nan 8.300 nan 0.000 0.474 93 V N 0.989 120.976 119.914 0.121 0.000 2.255 93 V HA -0.357 3.765 4.120 0.003 0.000 0.247 93 V C 2.498 178.574 176.094 -0.031 0.000 1.051 93 V CA 2.275 64.582 62.300 0.011 0.000 1.018 93 V CB -0.751 31.131 31.823 0.097 0.000 0.641 93 V HN 0.352 nan 8.190 nan 0.000 0.445 94 I N -0.589 120.002 120.570 0.035 0.000 2.091 94 I HA -0.340 3.831 4.170 0.003 0.000 0.239 94 I C 2.492 178.600 176.117 -0.017 0.000 1.061 94 I CA 1.976 63.294 61.300 0.029 0.000 1.317 94 I CB -0.472 37.571 38.000 0.071 0.000 1.031 94 I HN 0.284 nan 8.210 nan 0.000 0.401 95 L N 0.499 121.705 121.223 -0.029 0.000 2.013 95 L HA -0.289 4.053 4.340 0.003 0.000 0.212 95 L C 2.622 179.409 176.870 -0.138 0.000 1.073 95 L CA 1.568 56.372 54.840 -0.060 0.000 0.753 95 L CB -0.241 41.777 42.059 -0.069 0.000 0.890 95 L HN 0.293 nan 8.230 nan 0.000 0.432 96 L N -0.382 120.662 121.223 -0.298 0.000 2.043 96 L HA -0.313 4.029 4.340 0.003 0.000 0.212 96 L C 2.468 179.241 176.870 -0.163 0.000 1.075 96 L CA 1.617 56.262 54.840 -0.326 0.000 0.752 96 L CB -0.209 41.567 42.059 -0.473 0.000 0.891 96 L HN 0.308 nan 8.230 nan 0.000 0.432 97 I N -0.587 119.915 120.570 -0.113 0.000 2.226 97 I HA -0.357 3.814 4.170 0.003 0.000 0.245 97 I C 2.347 178.413 176.117 -0.084 0.000 1.100 97 I CA 1.277 62.530 61.300 -0.078 0.000 1.374 97 I CB -0.234 37.738 38.000 -0.046 0.000 1.057 97 I HN 0.279 nan 8.210 nan 0.000 0.413 98 L N 0.259 121.443 121.223 -0.065 0.000 2.083 98 L HA -0.207 4.134 4.340 0.003 0.000 0.209 98 L C 2.503 179.304 176.870 -0.114 0.000 1.083 98 L CA 1.378 56.168 54.840 -0.084 0.000 0.752 98 L CB -0.449 41.656 42.059 0.077 0.000 0.899 98 L HN 0.216 nan 8.230 nan 0.000 0.433 99 I N 0.027 120.567 120.570 -0.050 0.000 2.142 99 I HA -0.296 3.876 4.170 0.003 0.000 0.240 99 I C 2.877 178.947 176.117 -0.080 0.000 1.078 99 I CA 1.230 62.505 61.300 -0.041 0.000 1.343 99 I CB -0.563 37.406 38.000 -0.053 0.000 1.046 99 I HN 0.196 nan 8.210 nan 0.000 0.405 100 A N 1.022 123.788 122.820 -0.089 0.000 1.927 100 A HA -0.335 3.986 4.320 0.003 0.000 0.220 100 A C 2.036 179.562 177.584 -0.095 0.000 1.185 100 A CA 2.676 54.661 52.037 -0.086 0.000 0.639 100 A CB -1.092 17.857 19.000 -0.085 0.000 0.820 100 A HN 0.543 nan 8.150 nan 0.000 0.451 101 N N 0.077 118.702 118.700 -0.124 0.000 2.025 101 N HA -0.114 4.627 4.740 0.003 0.000 0.194 101 N C 1.779 177.189 175.510 -0.167 0.000 1.044 101 N CA 2.432 55.391 53.050 -0.152 0.000 0.851 101 N CB -0.466 37.894 38.487 -0.213 0.000 1.036 101 N HN 0.374 nan 8.380 nan 0.000 0.422 102 A N 0.481 123.162 122.820 -0.231 0.000 1.902 102 A HA -0.080 4.242 4.320 0.003 0.000 0.217 102 A C 2.420 179.959 177.584 -0.075 0.000 1.181 102 A CA 1.246 53.163 52.037 -0.201 0.000 0.623 102 A CB -0.847 18.032 19.000 -0.202 0.000 0.818 102 A HN 0.437 nan 8.150 nan 0.000 0.443 103 I N -0.441 120.101 120.570 -0.047 0.000 2.127 103 I HA -0.263 3.909 4.170 0.003 0.000 0.241 103 I C 2.411 178.565 176.117 0.062 0.000 1.075 103 I CA 1.507 62.809 61.300 0.004 0.000 1.334 103 I CB -0.419 37.569 38.000 -0.020 0.000 1.040 103 I HN 0.181 nan 8.210 nan 0.000 0.405 104 V N 1.051 120.985 119.914 0.033 0.000 2.255 104 V HA -0.277 3.845 4.120 0.003 0.000 0.247 104 V C 2.616 178.820 176.094 0.183 0.000 1.051 104 V CA 2.301 64.677 62.300 0.125 0.000 1.018 104 V CB -1.635 30.217 31.823 0.049 0.000 0.641 104 V HN 0.611 nan 8.190 nan 0.000 0.445 105 G N -0.052 108.782 108.800 0.057 0.000 2.529 105 G HA2 -0.266 3.696 3.960 0.003 0.000 0.219 105 G HA3 -0.266 3.696 3.960 0.003 0.000 0.219 105 G C 1.670 176.592 174.900 0.037 0.000 1.177 105 G CA 1.531 46.645 45.100 0.023 0.000 0.773 105 G HN 0.391 nan 8.290 nan 0.000 0.573 106 V N -0.341 119.600 119.914 0.044 0.000 2.295 106 V HA -0.166 3.956 4.120 0.003 0.000 0.246 106 V C 2.266 178.407 176.094 0.079 0.000 1.049 106 V CA 1.882 64.208 62.300 0.044 0.000 1.024 106 V CB -0.747 31.104 31.823 0.045 0.000 0.648 106 V HN 0.666 nan 8.190 nan 0.000 0.447 107 W N 0.917 122.198 121.300 -0.031 0.000 2.350 107 W HA -0.219 4.443 4.660 0.003 0.000 0.289 107 W C 2.363 178.869 176.519 -0.021 0.000 1.215 107 W CA 1.922 59.253 57.345 -0.023 0.000 1.236 107 W CB -0.170 29.276 29.460 -0.023 0.000 1.130 107 W HN 0.280 nan 8.180 nan 0.000 0.541 108 Q N -0.372 119.321 119.800 -0.177 0.000 2.123 108 Q HA -0.167 4.175 4.340 0.003 0.000 0.199 108 Q C 2.064 177.874 176.000 -0.317 0.000 0.966 108 Q CA 1.359 56.925 55.803 -0.395 0.000 0.845 108 Q CB -0.359 28.307 28.738 -0.119 0.000 0.907 108 Q HN 0.342 nan 8.270 nan 0.000 0.439 109 E N 0.664 120.757 120.200 -0.177 0.000 2.150 109 E HA -0.145 4.207 4.350 0.003 0.000 0.193 109 E C 1.908 178.415 176.600 -0.154 0.000 0.985 109 E CA 0.496 56.815 56.400 -0.134 0.000 0.814 109 E CB -0.037 29.619 29.700 -0.073 0.000 0.752 109 E HN 0.239 nan 8.360 nan 0.000 0.466 110 R N 1.468 121.858 120.500 -0.183 0.000 2.066 110 R HA -0.100 4.242 4.340 0.003 0.000 0.232 110 R C 1.515 177.687 176.300 -0.212 0.000 1.131 110 R CA 1.711 57.716 56.100 -0.158 0.000 0.955 110 R CB -0.175 30.057 30.300 -0.114 0.000 0.851 110 R HN 0.243 nan 8.270 nan 0.000 0.432 111 N N -0.719 117.759 118.700 -0.370 0.000 2.268 111 N HA 0.123 4.865 4.740 0.003 0.000 0.204 111 N C -0.564 174.778 175.510 -0.280 0.000 1.124 111 N CA -0.265 52.579 53.050 -0.343 0.000 0.838 111 N CB 0.767 38.954 38.487 -0.501 0.000 0.994 111 N HN 0.049 nan 8.380 nan 0.000 0.489 112 A N 0.973 123.651 122.820 -0.237 0.000 2.312 112 A HA 0.533 4.855 4.320 0.003 0.000 0.326 112 A C -0.843 176.670 177.584 -0.118 0.000 1.172 112 A CA -0.627 51.307 52.037 -0.171 0.000 0.821 112 A CB 0.780 19.684 19.000 -0.160 0.000 1.166 112 A HN 0.464 nan 8.150 nan 0.000 0.493 113 E N 1.117 121.260 120.200 -0.095 0.000 2.248 113 E HA 0.484 4.836 4.350 0.003 0.000 0.267 113 E C -0.845 175.717 176.600 -0.063 0.000 0.877 113 E CA -0.904 55.451 56.400 -0.075 0.000 0.759 113 E CB 1.007 30.664 29.700 -0.071 0.000 1.182 113 E HN 0.686 nan 8.360 nan 0.000 0.418 114 N N 0.564 119.231 118.700 -0.055 0.000 2.456 114 N HA 0.469 5.211 4.740 0.003 0.000 0.296 114 N C 0.480 175.964 175.510 -0.044 0.000 1.102 114 N CA -0.421 52.602 53.050 -0.045 0.000 0.924 114 N CB 1.612 40.076 38.487 -0.038 0.000 1.186 114 N HN 0.472 nan 8.380 nan 0.000 0.492 115 A N 2.035 124.834 122.820 -0.035 0.000 1.948 115 A HA -0.165 4.157 4.320 0.003 0.000 0.220 115 A C 1.900 179.465 177.584 -0.032 0.000 1.177 115 A CA 1.233 53.251 52.037 -0.031 0.000 0.636 115 A CB -1.121 17.868 19.000 -0.018 0.000 0.815 115 A HN 0.808 nan 8.150 nan 0.000 0.449 116 I N -0.413 120.142 120.570 -0.026 0.000 2.208 116 I HA -0.236 3.936 4.170 0.003 0.000 0.245 116 I C 2.271 178.368 176.117 -0.034 0.000 1.097 116 I CA 1.382 62.669 61.300 -0.021 0.000 1.363 116 I CB -0.344 37.647 38.000 -0.015 0.000 1.051 116 I HN 0.297 nan 8.210 nan 0.000 0.413 117 E N 0.725 120.899 120.200 -0.044 0.000 2.274 117 E HA -0.084 4.268 4.350 0.003 0.000 0.194 117 E C 2.199 178.747 176.600 -0.087 0.000 0.996 117 E CA 1.024 57.391 56.400 -0.055 0.000 0.840 117 E CB -0.126 29.543 29.700 -0.052 0.000 0.772 117 E HN 0.478 nan 8.360 nan 0.000 0.491 118 A N 0.745 123.504 122.820 -0.101 0.000 2.066 118 A HA -0.046 4.275 4.320 0.003 0.000 0.218 118 A C 2.251 179.675 177.584 -0.267 0.000 1.157 118 A CA 0.461 52.399 52.037 -0.165 0.000 0.670 118 A CB -0.450 18.471 19.000 -0.133 0.000 0.804 118 A HN 0.173 nan 8.150 nan 0.000 0.453 119 L N -0.604 120.525 121.223 -0.157 0.000 2.083 119 L HA -0.186 4.155 4.340 0.003 0.000 0.209 119 L C 2.181 178.966 176.870 -0.141 0.000 1.083 119 L CA 1.489 56.261 54.840 -0.113 0.000 0.752 119 L CB -0.398 41.667 42.059 0.010 0.000 0.899 119 L HN 0.334 nan 8.230 nan 0.000 0.433 120 K N 0.160 120.494 120.400 -0.109 0.000 2.585 120 K HA -0.154 4.168 4.320 0.003 0.000 0.194 120 K C 1.503 178.037 176.600 -0.110 0.000 1.037 120 K CA 0.738 56.982 56.287 -0.072 0.000 0.964 120 K CB -0.053 32.416 32.500 -0.051 0.000 0.787 120 K HN 0.467 nan 8.250 nan 0.000 0.488 121 E N -0.491 119.555 120.200 -0.256 0.000 2.435 121 E HA -0.099 4.253 4.350 0.003 0.000 0.195 121 E C 0.565 177.067 176.600 -0.164 0.000 1.029 121 E CA 0.571 56.815 56.400 -0.260 0.000 0.865 121 E CB 0.158 29.623 29.700 -0.390 0.000 0.833 121 E HN 0.358 nan 8.360 nan 0.000 0.510 122 Y N 1.531 121.834 120.300 0.005 0.000 2.466 122 Y HA 0.108 4.659 4.550 0.003 0.000 0.272 122 Y C 0.390 176.298 175.900 0.014 0.000 1.169 122 Y CA -0.299 57.806 58.100 0.010 0.000 1.285 122 Y CB -0.045 38.421 38.460 0.010 0.000 1.078 122 Y HN 0.008 nan 8.280 nan 0.000 0.523 123 E N 2.431 122.707 120.200 0.128 0.000 2.134 123 E HA 0.318 4.670 4.350 0.003 0.000 0.278 123 E C -2.726 173.910 176.600 0.059 0.000 0.959 123 E CA -2.224 54.228 56.400 0.086 0.000 0.783 123 E CB 1.312 31.049 29.700 0.061 0.000 1.095 123 E HN -0.009 nan 8.360 nan 0.000 0.399 124 P HA -0.017 nan 4.420 nan 0.000 0.274 124 P C 0.072 177.386 177.300 0.024 0.000 1.246 124 P CA -0.197 62.926 63.100 0.037 0.000 0.795 124 P CB 1.455 33.175 31.700 0.034 0.000 1.006 125 E N 0.266 120.476 120.200 0.016 0.000 2.158 125 E HA -0.017 4.334 4.350 0.003 0.000 0.191 125 E C 0.276 176.880 176.600 0.008 0.000 0.982 125 E CA 0.768 57.173 56.400 0.009 0.000 0.823 125 E CB 0.125 29.828 29.700 0.004 0.000 0.766 125 E HN 0.326 nan 8.360 nan 0.000 0.468 126 M N -0.436 119.167 119.600 0.006 0.000 2.727 126 M HA 0.560 5.042 4.480 0.003 0.000 0.300 126 M C 0.079 176.377 176.300 -0.004 0.000 1.246 126 M CA -0.730 54.569 55.300 -0.001 0.000 0.835 126 M CB 1.705 34.301 32.600 -0.007 0.000 1.755 126 M HN 0.034 nan 8.290 nan 0.000 0.473 127 G N 0.756 109.548 108.800 -0.014 0.000 2.684 127 G HA2 0.709 4.670 3.960 0.003 0.000 0.290 127 G HA3 0.709 4.670 3.960 0.003 0.000 0.290 127 G C -1.775 173.097 174.900 -0.046 0.000 1.425 127 G CA -0.745 44.342 45.100 -0.023 0.000 0.822 127 G HN 0.538 nan 8.290 nan 0.000 0.482 128 K N 0.102 120.464 120.400 -0.064 0.000 2.376 128 K HA 0.650 4.972 4.320 0.003 0.000 0.257 128 K C -0.381 176.129 176.600 -0.150 0.000 0.939 128 K CA -0.764 55.453 56.287 -0.117 0.000 0.809 128 K CB 2.433 34.860 32.500 -0.121 0.000 1.121 128 K HN 0.611 nan 8.250 nan 0.000 0.425 129 V N -0.554 119.238 119.914 -0.203 0.000 3.158 129 V HA 0.586 4.707 4.120 0.003 0.000 0.311 129 V C -1.527 174.361 176.094 -0.343 0.000 1.181 129 V CA -0.970 61.219 62.300 -0.185 0.000 1.054 129 V CB 1.392 33.169 31.823 -0.077 0.000 1.085 129 V HN 0.625 nan 8.190 nan 0.000 0.446 130 Y N 0.700 120.987 120.300 -0.021 0.000 2.376 130 Y HA 0.749 5.300 4.550 0.003 0.000 0.326 130 Y C 0.371 176.257 175.900 -0.023 0.000 0.970 130 Y CA -0.460 57.629 58.100 -0.018 0.000 1.248 130 Y CB 1.722 40.172 38.460 -0.017 0.000 1.117 130 Y HN 0.554 nan 8.280 nan 0.000 0.476 131 R N 1.161 121.713 120.500 0.087 0.000 2.637 131 R HA 0.610 4.952 4.340 0.003 0.000 0.291 131 R C 0.878 177.206 176.300 0.047 0.000 0.963 131 R CA -0.437 55.689 56.100 0.044 0.000 0.901 131 R CB 1.774 32.076 30.300 0.004 0.000 1.160 131 R HN 0.817 nan 8.270 nan 0.000 0.457 132 A N 2.087 124.924 122.820 0.029 0.000 2.023 132 A HA -0.264 4.058 4.320 0.003 0.000 0.223 132 A C 1.374 178.970 177.584 0.020 0.000 1.180 132 A CA 2.265 54.316 52.037 0.022 0.000 0.659 132 A CB -0.597 18.407 19.000 0.006 0.000 0.817 132 A HN 0.904 nan 8.150 nan 0.000 0.466 133 D N -1.083 119.325 120.400 0.013 0.000 2.368 133 D HA 0.016 4.658 4.640 0.003 0.000 0.250 133 D C 0.554 176.864 176.300 0.015 0.000 1.142 133 D CA 0.429 54.435 54.000 0.010 0.000 0.925 133 D CB -0.311 40.490 40.800 0.002 0.000 0.896 133 D HN 0.521 nan 8.370 nan 0.000 0.525 134 R N -1.676 118.842 120.500 0.029 0.000 2.739 134 R HA 0.102 4.443 4.340 0.003 0.000 0.266 134 R C 0.117 176.459 176.300 0.069 0.000 1.044 134 R CA -0.661 55.462 56.100 0.037 0.000 0.885 134 R CB 0.985 31.301 30.300 0.025 0.000 1.260 134 R HN -0.114 nan 8.270 nan 0.000 0.477 135 K N 0.868 121.308 120.400 0.066 0.000 2.044 135 K HA 0.115 4.436 4.320 0.003 0.000 0.204 135 K C 0.442 177.135 176.600 0.155 0.000 1.045 135 K CA 1.572 57.910 56.287 0.085 0.000 0.951 135 K CB -0.068 32.463 32.500 0.051 0.000 0.738 135 K HN 0.535 nan 8.250 nan 0.000 0.443 136 S N 0.218 115.988 115.700 0.117 0.000 2.624 136 S HA 0.189 4.661 4.470 0.003 0.000 0.263 136 S C 0.169 174.808 174.600 0.066 0.000 1.287 136 S CA -0.802 57.477 58.200 0.130 0.000 0.990 136 S CB 1.217 64.450 63.200 0.055 0.000 0.950 136 S HN 0.091 nan 8.310 nan 0.000 0.561 137 V N 2.218 122.085 119.914 -0.078 0.000 2.614 137 V HA 0.281 4.402 4.120 0.003 0.000 0.291 137 V C -0.112 175.838 176.094 -0.241 0.000 1.049 137 V CA -0.270 61.746 62.300 -0.473 0.000 1.038 137 V CB 0.716 32.170 31.823 -0.616 0.000 0.980 137 V HN 0.968 nan 8.190 nan 0.000 0.481 138 Q N 6.394 126.052 119.800 -0.238 0.000 2.331 138 Q HA 0.568 4.910 4.340 0.003 0.000 0.267 138 Q C -0.680 175.243 176.000 -0.128 0.000 1.006 138 Q CA -0.939 54.785 55.803 -0.131 0.000 0.818 138 Q CB 1.717 30.405 28.738 -0.083 0.000 1.276 138 Q HN 0.853 nan 8.270 nan 0.000 0.450 139 R N 2.800 123.245 120.500 -0.091 0.000 2.308 139 R HA 0.680 5.021 4.340 0.003 0.000 0.305 139 R C -0.188 176.083 176.300 -0.048 0.000 1.053 139 R CA -0.427 55.629 56.100 -0.073 0.000 0.957 139 R CB 0.631 30.897 30.300 -0.056 0.000 1.022 139 R HN 0.806 nan 8.270 nan 0.000 0.461 140 I N -2.303 118.244 120.570 -0.039 0.000 3.322 140 I HA 0.524 4.696 4.170 0.003 0.000 0.313 140 I C -0.803 175.309 176.117 -0.008 0.000 1.129 140 I CA -1.826 59.463 61.300 -0.019 0.000 0.963 140 I CB 2.012 40.004 38.000 -0.014 0.000 1.273 140 I HN 0.477 nan 8.210 nan 0.000 0.473 141 K N 1.398 121.801 120.400 0.005 0.000 2.401 141 K HA 0.281 4.603 4.320 0.003 0.000 0.278 141 K C 0.977 177.590 176.600 0.021 0.000 1.018 141 K CA 0.407 56.702 56.287 0.012 0.000 0.981 141 K CB 1.353 33.863 32.500 0.016 0.000 0.933 141 K HN 0.737 nan 8.250 nan 0.000 0.477 142 A N 3.656 126.488 122.820 0.020 0.000 1.978 142 A HA -0.225 4.096 4.320 0.003 0.000 0.220 142 A C 2.066 179.678 177.584 0.047 0.000 1.170 142 A CA 1.739 53.792 52.037 0.026 0.000 0.636 142 A CB -0.441 18.574 19.000 0.025 0.000 0.810 142 A HN 0.905 nan 8.150 nan 0.000 0.448 143 R N -0.333 120.201 120.500 0.057 0.000 2.193 143 R HA -0.142 4.200 4.340 0.003 0.000 0.229 143 R C 0.164 176.568 176.300 0.174 0.000 1.110 143 R CA 1.723 57.880 56.100 0.096 0.000 0.988 143 R CB -0.266 30.066 30.300 0.054 0.000 0.871 143 R HN 0.381 nan 8.270 nan 0.000 0.458 144 D N 0.263 120.740 120.400 0.128 0.000 2.340 144 D HA 0.126 4.768 4.640 0.003 0.000 0.217 144 D C 0.445 176.783 176.300 0.064 0.000 1.081 144 D CA 0.111 54.193 54.000 0.135 0.000 0.842 144 D CB 0.310 41.172 40.800 0.102 0.000 0.934 144 D HN 0.280 nan 8.370 nan 0.000 0.511 145 I N 1.031 121.630 120.570 0.048 0.000 2.764 145 I HA 0.135 4.307 4.170 0.003 0.000 0.294 145 I C 0.473 176.600 176.117 0.017 0.000 1.045 145 I CA -0.507 60.803 61.300 0.017 0.000 1.340 145 I CB 1.384 39.386 38.000 0.003 0.000 1.436 145 I HN -0.231 nan 8.210 nan 0.000 0.567 146 V N 2.001 121.915 119.914 -0.001 0.000 3.206 146 V HA 0.570 4.692 4.120 0.003 0.000 0.305 146 V C -2.899 173.144 176.094 -0.085 0.000 1.257 146 V CA -2.474 59.834 62.300 0.013 0.000 1.057 146 V CB 1.471 33.364 31.823 0.117 0.000 1.075 146 V HN 0.436 nan 8.190 nan 0.000 0.443 147 P HA 0.431 nan 4.420 nan 0.000 0.269 147 P C 0.962 177.889 177.300 -0.621 0.000 1.209 147 P CA 2.060 64.864 63.100 -0.493 0.000 0.776 147 P CB 0.954 32.239 31.700 -0.692 0.000 0.876 148 G N 2.048 110.144 108.800 -1.172 0.000 2.358 148 G HA2 -0.206 3.755 3.960 0.003 0.000 0.224 148 G HA3 -0.206 3.755 3.960 0.003 0.000 0.224 148 G C -0.135 174.602 174.900 -0.272 0.000 1.073 148 G CA 0.245 44.836 45.100 -0.848 0.000 0.635 148 G HN 0.713 nan 8.290 nan 0.000 0.509 149 D N 1.546 121.849 120.400 -0.162 0.000 2.341 149 D HA 0.492 5.134 4.640 0.003 0.000 0.245 149 D C 0.340 176.606 176.300 -0.056 0.000 1.106 149 D CA -0.838 53.116 54.000 -0.077 0.000 0.905 149 D CB 0.729 41.502 40.800 -0.045 0.000 1.202 149 D HN 0.178 nan 8.370 nan 0.000 0.426 150 I N 1.710 122.283 120.570 0.004 0.000 2.533 150 I HA 0.121 4.292 4.170 0.003 0.000 0.284 150 I C 0.399 176.562 176.117 0.077 0.000 1.109 150 I CA -0.300 61.031 61.300 0.052 0.000 1.412 150 I CB 0.633 38.697 38.000 0.107 0.000 1.396 150 I HN 0.412 nan 8.210 nan 0.000 0.543 151 V N 3.404 123.349 119.914 0.051 0.000 2.960 151 V HA 0.717 4.839 4.120 0.003 0.000 0.315 151 V C -0.532 175.600 176.094 0.063 0.000 1.087 151 V CA -0.783 61.534 62.300 0.028 0.000 0.982 151 V CB 1.967 33.782 31.823 -0.013 0.000 1.039 151 V HN 0.760 nan 8.190 nan 0.000 0.437 152 E N 1.109 121.328 120.200 0.031 0.000 2.266 152 E HA 0.742 5.093 4.350 0.003 0.000 0.268 152 E C -1.510 175.097 176.600 0.011 0.000 0.879 152 E CA -0.795 55.638 56.400 0.055 0.000 0.762 152 E CB 2.391 32.143 29.700 0.086 0.000 1.199 152 E HN 1.098 nan 8.360 nan 0.000 0.422 153 V N -0.229 119.694 119.914 0.015 0.000 2.971 153 V HA 1.003 5.125 4.120 0.003 0.000 0.309 153 V C -0.938 175.159 176.094 0.006 0.000 1.130 153 V CA -0.666 61.635 62.300 0.002 0.000 0.964 153 V CB 1.253 33.072 31.823 -0.006 0.000 1.029 153 V HN 0.778 nan 8.190 nan 0.000 0.427 154 A N 2.263 125.085 122.820 0.004 0.000 2.566 154 A HA 0.866 5.188 4.320 0.003 0.000 0.292 154 A C -0.260 177.326 177.584 0.004 0.000 1.112 154 A CA -0.425 51.615 52.037 0.006 0.000 0.707 154 A CB 1.806 20.811 19.000 0.009 0.000 1.302 154 A HN 2.230 nan 8.150 nan 0.000 0.409 155 V N 1.271 121.188 119.914 0.004 0.000 2.780 155 V HA 0.311 4.432 4.120 0.003 0.000 0.301 155 V C 1.421 177.519 176.094 0.005 0.000 1.168 155 V CA 2.795 65.098 62.300 0.005 0.000 1.305 155 V CB 0.200 32.027 31.823 0.006 0.000 0.858 155 V HN 2.728 nan 8.190 nan 0.000 0.502 156 G N 4.236 113.040 108.800 0.006 0.000 2.234 156 G HA2 -0.195 3.766 3.960 0.003 0.000 0.235 156 G HA3 -0.195 3.766 3.960 0.003 0.000 0.235 156 G C -0.011 174.895 174.900 0.009 0.000 0.997 156 G CA 0.186 45.291 45.100 0.008 0.000 0.623 156 G HN 0.811 nan 8.290 nan 0.000 0.514 157 D N 0.983 121.387 120.400 0.006 0.000 2.382 157 D HA 0.411 5.053 4.640 0.003 0.000 0.245 157 D C 0.519 176.826 176.300 0.011 0.000 1.120 157 D CA 0.207 54.211 54.000 0.007 0.000 0.890 157 D CB 1.285 42.086 40.800 0.002 0.000 1.201 157 D HN 0.480 nan 8.370 nan 0.000 0.433 158 K N 1.894 122.305 120.400 0.018 0.000 2.262 158 K HA 0.251 4.573 4.320 0.003 0.000 0.282 158 K C -0.731 175.883 176.600 0.024 0.000 1.066 158 K CA -0.698 55.605 56.287 0.027 0.000 0.901 158 K CB 0.635 33.161 32.500 0.044 0.000 1.089 158 K HN 0.103 nan 8.250 nan 0.000 0.476 159 V N 7.709 127.636 119.914 0.022 0.000 2.584 159 V HA -0.022 4.099 4.120 0.003 0.000 0.303 159 V C -1.229 174.882 176.094 0.028 0.000 1.035 159 V CA -0.743 61.567 62.300 0.017 0.000 1.172 159 V CB 0.747 32.579 31.823 0.015 0.000 0.896 159 V HN 0.905 nan 8.190 nan 0.000 0.486 160 P HA 0.203 nan 4.420 nan 0.000 0.230 160 P C 0.173 177.488 177.300 0.025 0.000 1.168 160 P CA 1.023 64.136 63.100 0.022 0.000 0.793 160 P CB 0.737 32.443 31.700 0.009 0.000 0.851 161 A N -0.694 122.135 122.820 0.015 0.000 2.564 161 A HA 0.490 4.812 4.320 0.003 0.000 0.291 161 A C -1.692 175.896 177.584 0.007 0.000 1.102 161 A CA -0.573 51.473 52.037 0.015 0.000 0.660 161 A CB 0.063 19.058 19.000 -0.010 0.000 1.283 161 A HN -0.230 nan 8.150 nan 0.000 0.430 162 D N 0.983 121.392 120.400 0.015 0.000 2.338 162 D HA 0.531 5.173 4.640 0.003 0.000 0.255 162 D C -0.571 175.697 176.300 -0.055 0.000 1.237 162 D CA 0.881 54.881 54.000 0.000 0.000 0.883 162 D CB 0.214 41.054 40.800 0.067 0.000 1.087 162 D HN 0.393 nan 8.370 nan 0.000 0.485 163 I N 2.020 122.529 120.570 -0.102 0.000 2.530 163 I HA 0.306 4.478 4.170 0.003 0.000 0.297 163 I C 0.364 176.416 176.117 -0.108 0.000 1.011 163 I CA -1.058 60.186 61.300 -0.093 0.000 1.107 163 I CB 1.729 39.682 38.000 -0.079 0.000 1.285 163 I HN -0.053 nan 8.210 nan 0.000 0.436 164 R N 6.305 126.766 120.500 -0.066 0.000 2.202 164 R HA 0.455 4.797 4.340 0.003 0.000 0.334 164 R C -0.719 175.557 176.300 -0.040 0.000 1.036 164 R CA -0.699 55.374 56.100 -0.046 0.000 0.878 164 R CB 0.413 30.710 30.300 -0.006 0.000 1.067 164 R HN 0.582 nan 8.270 nan 0.000 0.457 165 I N 6.509 127.050 120.570 -0.048 0.000 2.587 165 I HA -0.133 4.039 4.170 0.003 0.000 0.284 165 I C 1.616 177.726 176.117 -0.012 0.000 1.134 165 I CA 0.165 61.445 61.300 -0.034 0.000 1.410 165 I CB 0.687 38.663 38.000 -0.040 0.000 1.392 165 I HN 0.493 nan 8.210 nan 0.000 0.545 166 L N 4.910 126.129 121.223 -0.006 0.000 2.168 166 L HA 0.074 4.416 4.340 0.003 0.000 0.203 166 L C 0.740 177.610 176.870 0.001 0.000 1.078 166 L CA 0.655 55.496 54.840 0.001 0.000 0.780 166 L CB -0.127 41.933 42.059 0.002 0.000 0.939 166 L HN 0.804 nan 8.230 nan 0.000 0.451 167 S N -1.006 114.693 115.700 -0.001 0.000 2.542 167 S HA 0.437 4.908 4.470 0.003 0.000 0.276 167 S C -0.960 173.640 174.600 0.000 0.000 1.148 167 S CA -0.791 57.410 58.200 0.001 0.000 0.886 167 S CB 1.173 64.370 63.200 -0.005 0.000 1.109 167 S HN 0.075 nan 8.310 nan 0.000 0.458 168 I N 3.901 124.473 120.570 0.004 0.000 2.291 168 I HA 0.299 4.471 4.170 0.003 0.000 0.292 168 I C 1.061 177.180 176.117 0.004 0.000 1.064 168 I CA -0.810 60.490 61.300 0.001 0.000 1.269 168 I CB 0.992 38.991 38.000 -0.002 0.000 1.418 168 I HN 0.630 nan 8.210 nan 0.000 0.485 169 K N 3.138 123.541 120.400 0.004 0.000 2.148 169 K HA -0.036 4.286 4.320 0.003 0.000 0.204 169 K C 1.047 177.651 176.600 0.006 0.000 1.050 169 K CA 0.624 56.914 56.287 0.005 0.000 0.942 169 K CB -0.324 32.182 32.500 0.010 0.000 0.724 169 K HN 0.690 nan 8.250 nan 0.000 0.446 170 S N -0.305 115.399 115.700 0.006 0.000 2.681 170 S HA 0.162 4.634 4.470 0.003 0.000 0.270 170 S C 1.277 175.882 174.600 0.008 0.000 1.209 170 S CA -0.486 57.718 58.200 0.007 0.000 0.988 170 S CB 1.117 64.321 63.200 0.006 0.000 1.006 170 S HN 0.092 nan 8.310 nan 0.000 0.558 171 T N 1.353 115.913 114.554 0.010 0.000 2.759 171 T HA 0.055 4.407 4.350 0.003 0.000 0.269 171 T C 0.956 175.668 174.700 0.019 0.000 1.042 171 T CA 1.672 63.780 62.100 0.013 0.000 1.140 171 T CB -0.665 68.212 68.868 0.016 0.000 0.864 171 T HN 1.022 nan 8.240 nan 0.000 0.455 172 T N -1.249 113.313 114.554 0.013 0.000 2.792 172 T HA 0.639 4.991 4.350 0.003 0.000 0.303 172 T C -1.888 172.803 174.700 -0.015 0.000 1.310 172 T CA -1.065 61.037 62.100 0.004 0.000 1.007 172 T CB 1.864 70.744 68.868 0.020 0.000 1.335 172 T HN -0.016 nan 8.240 nan 0.000 0.504 173 L N 0.755 121.951 121.223 -0.044 0.000 2.376 173 L HA 0.697 5.039 4.340 0.003 0.000 0.275 173 L C -0.800 176.044 176.870 -0.045 0.000 0.987 173 L CA -0.550 54.263 54.840 -0.044 0.000 0.828 173 L CB 1.532 43.555 42.059 -0.060 0.000 1.249 173 L HN 0.700 nan 8.230 nan 0.000 0.409 174 R N 4.431 124.919 120.500 -0.020 0.000 2.437 174 R HA 0.741 5.083 4.340 0.003 0.000 0.310 174 R C -1.475 174.822 176.300 -0.005 0.000 0.955 174 R CA -0.804 55.291 56.100 -0.008 0.000 0.851 174 R CB 2.238 32.541 30.300 0.005 0.000 1.161 174 R HN 0.435 nan 8.270 nan 0.000 0.446 175 V N 1.989 121.903 119.914 0.000 0.000 2.604 175 V HA 0.139 4.261 4.120 0.003 0.000 0.305 175 V C -0.406 175.698 176.094 0.017 0.000 1.043 175 V CA -0.819 61.485 62.300 0.007 0.000 0.888 175 V CB 2.216 34.043 31.823 0.006 0.000 0.995 175 V HN 0.598 nan 8.190 nan 0.000 0.429 176 D N 3.188 123.595 120.400 0.012 0.000 2.456 176 D HA 0.235 4.876 4.640 0.003 0.000 0.219 176 D C 0.292 176.594 176.300 0.003 0.000 1.126 176 D CA -0.092 53.912 54.000 0.005 0.000 0.890 176 D CB 1.111 41.909 40.800 -0.003 0.000 1.025 176 D HN 0.544 nan 8.370 nan 0.000 0.511 177 Q N 2.059 121.867 119.800 0.014 0.000 2.297 177 Q HA 0.068 4.409 4.340 0.003 0.000 0.265 177 Q C 1.371 177.343 176.000 -0.046 0.000 0.904 177 Q CA -0.228 55.581 55.803 0.010 0.000 0.969 177 Q CB 0.475 29.255 28.738 0.070 0.000 1.115 177 Q HN 0.387 nan 8.270 nan 0.000 0.433 178 S N 1.107 116.773 115.700 -0.057 0.000 2.370 178 S HA -0.175 4.296 4.470 0.003 0.000 0.226 178 S C 1.839 176.368 174.600 -0.119 0.000 1.033 178 S CA 1.456 59.614 58.200 -0.070 0.000 1.011 178 S CB -0.130 63.038 63.200 -0.053 0.000 0.852 178 S HN 0.700 nan 8.310 nan 0.000 0.457 179 I N -0.689 119.757 120.570 -0.208 0.000 2.530 179 I HA -0.117 4.055 4.170 0.003 0.000 0.257 179 I C 1.887 177.863 176.117 -0.234 0.000 1.179 179 I CA 1.341 62.434 61.300 -0.346 0.000 1.440 179 I CB -0.495 37.040 38.000 -0.775 0.000 1.087 179 I HN 0.262 nan 8.210 nan 0.000 0.440 180 L N 0.879 121.994 121.223 -0.180 0.000 2.102 180 L HA -0.016 4.326 4.340 0.003 0.000 0.202 180 L C 2.695 179.499 176.870 -0.109 0.000 1.076 180 L CA 1.636 56.382 54.840 -0.157 0.000 0.761 180 L CB -0.913 41.026 42.059 -0.199 0.000 0.921 180 L HN 0.492 nan 8.230 nan 0.000 0.444 181 T N -4.021 110.479 114.554 -0.090 0.000 3.480 181 T HA 0.430 4.782 4.350 0.003 0.000 0.229 181 T C 1.364 176.039 174.700 -0.042 0.000 0.944 181 T CA 0.683 62.748 62.100 -0.059 0.000 1.388 181 T CB 0.618 69.456 68.868 -0.049 0.000 1.180 181 T HN 0.292 nan 8.240 nan 0.000 0.414 182 G N 1.512 110.289 108.800 -0.038 0.000 3.465 182 G HA2 -0.031 3.931 3.960 0.003 0.000 0.219 182 G HA3 -0.031 3.931 3.960 0.003 0.000 0.219 182 G C -0.263 174.626 174.900 -0.019 0.000 0.984 182 G CA -0.011 45.074 45.100 -0.025 0.000 0.864 182 G HN 0.824 nan 8.290 nan 0.000 0.485 183 E N 1.525 121.713 120.200 -0.020 0.000 1.985 183 E HA 0.508 4.860 4.350 0.003 0.000 0.268 183 E C 0.986 177.576 176.600 -0.016 0.000 1.219 183 E CA 0.403 56.793 56.400 -0.016 0.000 0.942 183 E CB 1.511 31.200 29.700 -0.018 0.000 1.045 183 E HN 0.108 nan 8.360 nan 0.000 0.413 184 S N 3.156 118.848 115.700 -0.014 0.000 2.584 184 S HA -0.078 4.394 4.470 0.003 0.000 0.240 184 S C 0.678 175.273 174.600 -0.007 0.000 0.975 184 S CA -0.089 58.104 58.200 -0.012 0.000 0.949 184 S CB -0.355 62.840 63.200 -0.009 0.000 0.761 184 S HN 0.472 nan 8.310 nan 0.000 0.536 185 V N 3.987 123.896 119.914 -0.008 0.000 2.500 185 V HA 0.040 4.162 4.120 0.003 0.000 0.267 185 V C 0.937 177.035 176.094 0.006 0.000 0.977 185 V CA 0.074 62.371 62.300 -0.005 0.000 1.151 185 V CB -1.513 30.302 31.823 -0.013 0.000 1.013 185 V HN 0.608 nan 8.190 nan 0.000 0.467 186 S N 4.917 120.623 115.700 0.010 0.000 2.558 186 S HA 0.307 4.779 4.470 0.003 0.000 0.287 186 S C -0.118 174.501 174.600 0.030 0.000 1.321 186 S CA -0.168 58.042 58.200 0.017 0.000 1.048 186 S CB 1.201 64.409 63.200 0.015 0.000 0.844 186 S HN 1.438 nan 8.310 nan 0.000 0.512 187 V N 0.494 120.430 119.914 0.036 0.000 2.715 187 V HA 0.726 4.848 4.120 0.003 0.000 0.310 187 V C -0.442 175.670 176.094 0.031 0.000 1.054 187 V CA -1.369 60.962 62.300 0.052 0.000 0.928 187 V CB 0.946 32.812 31.823 0.070 0.000 1.007 187 V HN 0.811 nan 8.190 nan 0.000 0.437 188 I N 3.827 124.419 120.570 0.037 0.000 2.474 188 I HA 0.482 4.654 4.170 0.003 0.000 0.287 188 I C 0.577 176.625 176.117 -0.114 0.000 1.048 188 I CA 0.128 61.408 61.300 -0.033 0.000 1.383 188 I CB 0.411 38.414 38.000 0.006 0.000 1.412 188 I HN 0.555 nan 8.210 nan 0.000 0.531 189 K N 4.901 125.170 120.400 -0.219 0.000 2.166 189 K HA 0.595 4.917 4.320 0.003 0.000 0.245 189 K C -0.509 175.801 176.600 -0.484 0.000 0.967 189 K CA -0.759 55.393 56.287 -0.225 0.000 0.863 189 K CB 1.694 34.119 32.500 -0.125 0.000 1.107 189 K HN 0.544 nan 8.250 nan 0.000 0.436 190 H N -0.833 118.239 119.070 0.003 0.000 2.960 190 H HA 0.276 4.834 4.556 0.003 0.000 0.303 190 H C 0.490 175.808 175.328 -0.016 0.000 1.412 190 H CA -0.258 55.787 56.048 -0.004 0.000 1.227 190 H CB 1.789 31.538 29.762 -0.021 0.000 1.912 190 H HN 0.671 nan 8.280 nan 0.000 0.583 191 T N -3.488 111.146 114.554 0.134 0.000 2.975 191 T HA 0.087 4.439 4.350 0.003 0.000 0.257 191 T C 0.556 175.278 174.700 0.036 0.000 1.003 191 T CA -0.284 61.849 62.100 0.056 0.000 0.932 191 T CB 0.673 69.564 68.868 0.038 0.000 1.087 191 T HN 0.495 nan 8.240 nan 0.000 0.512 192 E N 3.769 123.988 120.200 0.032 0.000 2.392 192 E HA 0.196 4.547 4.350 0.003 0.000 0.264 192 E C -2.193 174.405 176.600 -0.003 0.000 1.024 192 E CA -1.954 54.440 56.400 -0.009 0.000 0.903 192 E CB 0.663 30.327 29.700 -0.060 0.000 0.963 192 E HN 0.194 nan 8.360 nan 0.000 0.432 193 P HA -0.007 nan 4.420 nan 0.000 0.271 193 P C -0.816 176.488 177.300 0.007 0.000 1.218 193 P CA -0.178 62.920 63.100 -0.004 0.000 0.780 193 P CB 0.837 32.524 31.700 -0.022 0.000 0.901 194 V N 5.374 125.318 119.914 0.050 0.000 2.304 194 V HA 0.121 4.243 4.120 0.003 0.000 0.269 194 V C -0.788 175.361 176.094 0.092 0.000 1.036 194 V CA -1.503 60.851 62.300 0.090 0.000 0.840 194 V CB 0.674 32.601 31.823 0.174 0.000 1.036 194 V HN 0.554 nan 8.190 nan 0.000 0.466 195 P HA -0.202 nan 4.420 nan 0.000 0.216 195 P C 0.491 177.813 177.300 0.038 0.000 1.154 195 P CA 1.181 64.291 63.100 0.016 0.000 0.865 195 P CB 0.302 32.003 31.700 0.001 0.000 0.789 196 D N 0.300 120.745 120.400 0.075 0.000 2.346 196 D HA 0.047 4.689 4.640 0.003 0.000 0.260 196 D C -1.630 174.782 176.300 0.187 0.000 1.252 196 D CA -2.066 51.989 54.000 0.092 0.000 0.895 196 D CB 0.643 41.487 40.800 0.074 0.000 1.097 196 D HN 0.031 nan 8.370 nan 0.000 0.489 197 P HA -0.029 nan 4.420 nan 0.000 0.226 197 P C 0.799 178.242 177.300 0.238 0.000 1.153 197 P CA 0.633 63.821 63.100 0.147 0.000 0.777 197 P CB 0.261 31.980 31.700 0.031 0.000 0.794 198 R N -0.526 120.065 120.500 0.151 0.000 2.552 198 R HA 0.385 4.727 4.340 0.003 0.000 0.314 198 R C -0.054 176.264 176.300 0.031 0.000 1.041 198 R CA -0.378 55.774 56.100 0.086 0.000 1.076 198 R CB 0.073 30.404 30.300 0.052 0.000 1.290 198 R HN 0.023 nan 8.270 nan 0.000 0.563 199 A N 1.062 123.889 122.820 0.012 0.000 2.540 199 A HA 0.149 4.471 4.320 0.003 0.000 0.239 199 A C 0.656 178.163 177.584 -0.128 0.000 1.061 199 A CA -0.109 51.880 52.037 -0.080 0.000 0.758 199 A CB 0.175 19.086 19.000 -0.149 0.000 0.991 199 A HN 0.243 nan 8.150 nan 0.000 0.502 200 V N 1.477 121.345 119.914 -0.076 0.000 2.953 200 V HA 0.204 4.326 4.120 0.003 0.000 0.304 200 V C 1.171 177.219 176.094 -0.077 0.000 1.073 200 V CA -0.411 61.841 62.300 -0.080 0.000 1.064 200 V CB 0.439 32.224 31.823 -0.063 0.000 1.047 200 V HN 0.862 nan 8.190 nan 0.000 0.478 201 N N 1.394 120.036 118.700 -0.095 0.000 2.069 201 N HA -0.281 4.461 4.740 0.003 0.000 0.196 201 N C 1.655 177.201 175.510 0.060 0.000 1.024 201 N CA 2.306 55.322 53.050 -0.057 0.000 0.869 201 N CB -0.575 37.662 38.487 -0.417 0.000 1.035 201 N HN 0.942 nan 8.380 nan 0.000 0.434 202 Q N 0.207 120.006 119.800 -0.000 0.000 2.248 202 Q HA -0.146 4.196 4.340 0.003 0.000 0.208 202 Q C 0.085 176.136 176.000 0.085 0.000 0.984 202 Q CA 1.460 57.293 55.803 0.050 0.000 0.875 202 Q CB 0.111 28.866 28.738 0.029 0.000 0.910 202 Q HN 0.350 nan 8.270 nan 0.000 0.433 203 D N -0.624 119.810 120.400 0.057 0.000 2.349 203 D HA 0.036 4.677 4.640 0.003 0.000 0.214 203 D C -0.322 176.004 176.300 0.044 0.000 1.063 203 D CA 0.283 54.314 54.000 0.052 0.000 0.847 203 D CB 0.320 41.136 40.800 0.027 0.000 0.933 203 D HN 0.115 nan 8.370 nan 0.000 0.513 204 K N 1.788 122.228 120.400 0.066 0.000 2.480 204 K HA 0.066 4.388 4.320 0.003 0.000 0.241 204 K C 1.215 177.846 176.600 0.051 0.000 1.261 204 K CA -0.105 56.211 56.287 0.047 0.000 1.193 204 K CB 0.181 32.731 32.500 0.082 0.000 1.598 204 K HN 0.148 nan 8.250 nan 0.000 0.278 205 K N 0.094 120.531 120.400 0.061 0.000 2.574 205 K HA -0.104 4.218 4.320 0.003 0.000 0.193 205 K C 0.462 177.078 176.600 0.026 0.000 1.035 205 K CA 1.017 57.341 56.287 0.061 0.000 0.982 205 K CB -0.089 32.478 32.500 0.112 0.000 0.795 205 K HN 0.223 nan 8.250 nan 0.000 0.491 206 N N 0.201 118.906 118.700 0.009 0.000 2.235 206 N HA 0.100 4.842 4.740 0.003 0.000 0.231 206 N C -0.500 174.963 175.510 -0.079 0.000 1.177 206 N CA -0.285 52.759 53.050 -0.011 0.000 0.874 206 N CB 0.372 38.874 38.487 0.025 0.000 1.097 206 N HN 0.003 nan 8.380 nan 0.000 0.518 207 M N 0.747 120.242 119.600 -0.175 0.000 2.528 207 M HA 0.476 4.957 4.480 0.003 0.000 0.321 207 M C -0.795 175.165 176.300 -0.567 0.000 1.153 207 M CA -0.583 54.498 55.300 -0.366 0.000 0.951 207 M CB 2.197 34.501 32.600 -0.494 0.000 1.705 207 M HN -0.050 nan 8.290 nan 0.000 0.451 208 L N 2.157 123.066 121.223 -0.522 0.000 2.341 208 L HA 0.576 4.918 4.340 0.003 0.000 0.278 208 L C -1.258 175.308 176.870 -0.507 0.000 1.005 208 L CA -0.514 54.070 54.840 -0.426 0.000 0.818 208 L CB 1.407 43.353 42.059 -0.189 0.000 1.259 208 L HN 0.454 nan 8.230 nan 0.000 0.418 209 F N 0.740 120.681 119.950 -0.016 0.000 2.427 209 F HA 0.272 4.801 4.527 0.003 0.000 0.346 209 F C 0.913 176.702 175.800 -0.018 0.000 1.120 209 F CA -0.586 57.403 58.000 -0.019 0.000 1.033 209 F CB 1.787 40.769 39.000 -0.029 0.000 1.126 209 F HN 0.366 nan 8.300 nan 0.000 0.462 210 S N 2.272 118.071 115.700 0.164 0.000 2.575 210 S HA 0.355 4.827 4.470 0.003 0.000 0.295 210 S C 1.102 175.763 174.600 0.102 0.000 1.267 210 S CA 1.030 59.291 58.200 0.102 0.000 1.074 210 S CB -0.200 63.053 63.200 0.088 0.000 0.829 210 S HN 1.274 nan 8.310 nan 0.000 0.497 211 G N 3.444 112.292 108.800 0.079 0.000 2.218 211 G HA2 -0.199 3.763 3.960 0.003 0.000 0.216 211 G HA3 -0.199 3.763 3.960 0.003 0.000 0.216 211 G C 0.297 175.186 174.900 -0.018 0.000 0.994 211 G CA 0.149 45.287 45.100 0.062 0.000 0.637 211 G HN 0.893 nan 8.290 nan 0.000 0.505 212 T N 1.868 116.431 114.554 0.016 0.000 2.847 212 T HA 0.571 4.923 4.350 0.003 0.000 0.279 212 T C 0.069 174.774 174.700 0.009 0.000 0.984 212 T CA -0.276 61.827 62.100 0.004 0.000 0.988 212 T CB 0.949 69.860 68.868 0.072 0.000 1.040 212 T HN 0.313 nan 8.240 nan 0.000 0.528 213 N N 0.978 119.679 118.700 0.003 0.000 2.272 213 N HA 0.364 5.106 4.740 0.003 0.000 0.305 213 N C -1.011 174.502 175.510 0.005 0.000 1.103 213 N CA -0.672 52.382 53.050 0.006 0.000 0.791 213 N CB 1.716 40.206 38.487 0.004 0.000 1.356 213 N HN 0.338 nan 8.380 nan 0.000 0.486 214 I N 1.783 122.355 120.570 0.003 0.000 2.337 214 I HA 0.109 4.281 4.170 0.003 0.000 0.291 214 I C 1.454 177.572 176.117 0.002 0.000 1.046 214 I CA -0.019 61.281 61.300 0.000 0.000 1.324 214 I CB 0.336 38.335 38.000 -0.002 0.000 1.409 214 I HN 0.629 nan 8.210 nan 0.000 0.494 215 A N 5.684 128.505 122.820 0.003 0.000 1.935 215 A HA 0.519 4.840 4.320 0.003 0.000 0.214 215 A C 1.033 178.620 177.584 0.005 0.000 1.178 215 A CA 1.042 53.082 52.037 0.005 0.000 0.640 215 A CB 0.169 19.172 19.000 0.006 0.000 0.825 215 A HN 0.784 nan 8.150 nan 0.000 0.447 216 A N -3.034 119.788 122.820 0.003 0.000 2.604 216 A HA 0.660 4.982 4.320 0.003 0.000 0.295 216 A C 0.316 177.900 177.584 0.001 0.000 1.067 216 A CA 0.117 52.156 52.037 0.004 0.000 0.683 216 A CB 0.165 19.170 19.000 0.008 0.000 1.281 216 A HN 2.167 nan 8.150 nan 0.000 0.407 217 G N 0.068 108.869 108.800 0.003 0.000 2.660 217 G HA2 0.313 4.275 3.960 0.003 0.000 0.247 217 G HA3 0.313 4.275 3.960 0.003 0.000 0.247 217 G C -0.532 174.369 174.900 0.002 0.000 1.328 217 G CA 0.015 45.116 45.100 0.001 0.000 0.884 217 G HN 1.444 nan 8.290 nan 0.000 0.531 218 K N -0.587 119.815 120.400 0.003 0.000 2.550 218 K HA 0.717 5.038 4.320 0.003 0.000 0.252 218 K C -0.450 176.155 176.600 0.008 0.000 0.943 218 K CA -0.052 56.240 56.287 0.009 0.000 0.806 218 K CB 1.467 33.977 32.500 0.016 0.000 1.289 218 K HN 2.001 nan 8.250 nan 0.000 0.435 219 A N 3.114 125.940 122.820 0.010 0.000 2.566 219 A HA 0.775 5.097 4.320 0.003 0.000 0.292 219 A C -2.114 175.483 177.584 0.023 0.000 1.112 219 A CA -0.758 51.283 52.037 0.008 0.000 0.707 219 A CB 1.642 20.636 19.000 -0.011 0.000 1.302 219 A HN 0.565 nan 8.150 nan 0.000 0.409 220 L N 0.414 121.649 121.223 0.021 0.000 2.365 220 L HA 0.887 5.229 4.340 0.003 0.000 0.273 220 L C 0.190 177.069 176.870 0.014 0.000 1.000 220 L CA 0.533 55.396 54.840 0.038 0.000 0.819 220 L CB 1.981 44.060 42.059 0.034 0.000 1.284 220 L HN 1.238 nan 8.230 nan 0.000 0.418 221 G N 3.866 112.674 108.800 0.014 0.000 2.721 221 G HA2 0.504 4.466 3.960 0.003 0.000 0.296 221 G HA3 0.504 4.466 3.960 0.003 0.000 0.296 221 G C -1.995 172.899 174.900 -0.010 0.000 1.383 221 G CA -0.613 44.483 45.100 -0.006 0.000 0.788 221 G HN 0.734 nan 8.290 nan 0.000 0.500 222 I N 0.375 120.930 120.570 -0.026 0.000 2.474 222 I HA 0.555 4.727 4.170 0.003 0.000 0.294 222 I C -0.359 175.698 176.117 -0.100 0.000 1.005 222 I CA -1.019 60.246 61.300 -0.058 0.000 1.113 222 I CB 1.943 39.925 38.000 -0.030 0.000 1.289 222 I HN 0.236 nan 8.210 nan 0.000 0.436 223 V N 8.267 128.081 119.914 -0.165 0.000 2.479 223 V HA 0.138 4.260 4.120 0.003 0.000 0.281 223 V C 1.085 177.036 176.094 -0.238 0.000 1.031 223 V CA 0.645 62.839 62.300 -0.177 0.000 1.038 223 V CB 0.623 32.340 31.823 -0.177 0.000 0.981 223 V HN 0.978 nan 8.190 nan 0.000 0.478 224 A N 4.681 127.441 122.820 -0.100 0.000 1.924 224 A HA 0.275 4.597 4.320 0.003 0.000 0.211 224 A C 1.093 178.671 177.584 -0.010 0.000 1.198 224 A CA 1.168 53.208 52.037 0.005 0.000 0.657 224 A CB 0.123 19.139 19.000 0.027 0.000 0.852 224 A HN 0.854 nan 8.150 nan 0.000 0.454 225 T N -3.543 110.985 114.554 -0.044 0.000 2.843 225 T HA 0.614 4.966 4.350 0.003 0.000 0.302 225 T C -0.520 174.156 174.700 -0.040 0.000 1.232 225 T CA 0.128 62.200 62.100 -0.048 0.000 1.009 225 T CB 1.617 70.489 68.868 0.007 0.000 1.254 225 T HN 0.828 nan 8.240 nan 0.000 0.504 226 T N -2.623 111.916 114.554 -0.024 0.000 2.731 226 T HA 0.783 5.134 4.350 0.003 0.000 0.300 226 T C 0.884 175.609 174.700 0.041 0.000 1.283 226 T CA 0.130 62.235 62.100 0.010 0.000 1.005 226 T CB 0.962 69.833 68.868 0.005 0.000 1.420 226 T HN 2.297 nan 8.240 nan 0.000 0.503 227 G N 0.257 109.091 108.800 0.056 0.000 2.596 227 G HA2 -0.282 3.680 3.960 0.003 0.000 0.295 227 G HA3 -0.282 3.680 3.960 0.003 0.000 0.295 227 G C 1.089 176.024 174.900 0.059 0.000 1.240 227 G CA 1.583 46.722 45.100 0.066 0.000 0.985 227 G HN 2.193 nan 8.290 nan 0.000 0.555 228 V N -1.998 117.951 119.914 0.059 0.000 3.510 228 V HA 0.317 4.439 4.120 0.003 0.000 0.270 228 V C 2.122 178.245 176.094 0.048 0.000 1.201 228 V CA 2.503 64.833 62.300 0.050 0.000 1.166 228 V CB 0.226 32.076 31.823 0.045 0.000 0.825 228 V HN 0.801 nan 8.190 nan 0.000 0.484 229 S N 0.801 116.533 115.700 0.053 0.000 2.558 229 S HA 0.076 4.548 4.470 0.003 0.000 0.217 229 S C 1.158 175.789 174.600 0.051 0.000 0.975 229 S CA 0.670 58.900 58.200 0.050 0.000 0.912 229 S CB -0.262 62.969 63.200 0.050 0.000 0.776 229 S HN 0.947 nan 8.310 nan 0.000 0.526 230 T N 0.149 114.737 114.554 0.057 0.000 2.816 230 T HA 0.280 4.632 4.350 0.003 0.000 0.282 230 T C 1.050 175.791 174.700 0.068 0.000 0.993 230 T CA -0.588 61.558 62.100 0.077 0.000 0.994 230 T CB 0.666 69.585 68.868 0.084 0.000 1.025 230 T HN -0.123 nan 8.240 nan 0.000 0.529 231 E N 0.152 120.404 120.200 0.086 0.000 2.058 231 E HA -0.112 4.240 4.350 0.003 0.000 0.194 231 E C 1.896 178.487 176.600 -0.016 0.000 0.997 231 E CA 1.086 57.488 56.400 0.003 0.000 0.801 231 E CB -0.394 29.241 29.700 -0.108 0.000 0.746 231 E HN 0.743 nan 8.360 nan 0.000 0.450 232 I N 0.526 121.103 120.570 0.012 0.000 2.394 232 I HA -0.142 4.030 4.170 0.003 0.000 0.251 232 I C 2.142 178.280 176.117 0.036 0.000 1.136 232 I CA 1.298 62.612 61.300 0.024 0.000 1.425 232 I CB -0.147 37.889 38.000 0.061 0.000 1.079 232 I HN 0.081 nan 8.210 nan 0.000 0.425 233 G N 0.285 109.111 108.800 0.043 0.000 2.422 233 G HA2 -0.223 3.739 3.960 0.003 0.000 0.218 233 G HA3 -0.223 3.739 3.960 0.003 0.000 0.218 233 G C 1.659 176.575 174.900 0.028 0.000 1.140 233 G CA 0.508 45.632 45.100 0.040 0.000 0.775 233 G HN 0.324 nan 8.290 nan 0.000 0.545 234 K N -0.075 120.337 120.400 0.020 0.000 2.155 234 K HA 0.177 4.498 4.320 0.003 0.000 0.203 234 K C 2.249 178.849 176.600 0.001 0.000 1.052 234 K CA 0.480 56.773 56.287 0.010 0.000 0.948 234 K CB -0.114 32.388 32.500 0.005 0.000 0.728 234 K HN 0.301 nan 8.250 nan 0.000 0.448 235 I N 0.929 121.497 120.570 -0.003 0.000 2.315 235 I HA -0.218 3.954 4.170 0.003 0.000 0.248 235 I C 2.626 178.745 176.117 0.004 0.000 1.117 235 I CA 0.764 62.060 61.300 -0.006 0.000 1.404 235 I CB -0.147 37.848 38.000 -0.008 0.000 1.071 235 I HN 0.158 nan 8.210 nan 0.000 0.419 236 R N 1.256 121.764 120.500 0.013 0.000 2.092 236 R HA -0.174 4.168 4.340 0.003 0.000 0.231 236 R C 1.437 177.742 176.300 0.008 0.000 1.119 236 R CA 1.827 57.935 56.100 0.014 0.000 0.970 236 R CB -0.415 29.898 30.300 0.021 0.000 0.864 236 R HN 0.273 nan 8.270 nan 0.000 0.440 237 D N 0.529 120.934 120.400 0.009 0.000 2.183 237 D HA -0.088 4.554 4.640 0.003 0.000 0.203 237 D C 2.030 178.330 176.300 -0.000 0.000 0.969 237 D CA 0.901 54.905 54.000 0.007 0.000 0.842 237 D CB -0.040 40.767 40.800 0.011 0.000 0.957 237 D HN 0.341 nan 8.370 nan 0.000 0.484 238 Q N -0.426 119.372 119.800 -0.004 0.000 2.084 238 Q HA -0.070 4.272 4.340 0.003 0.000 0.202 238 Q C 2.209 178.202 176.000 -0.012 0.000 0.978 238 Q CA 1.059 56.855 55.803 -0.011 0.000 0.844 238 Q CB -0.045 28.684 28.738 -0.016 0.000 0.898 238 Q HN 0.313 nan 8.270 nan 0.000 0.426 239 M N -0.278 119.316 119.600 -0.009 0.000 2.132 239 M HA -0.113 4.368 4.480 0.003 0.000 0.263 239 M C 2.279 178.574 176.300 -0.009 0.000 1.065 239 M CA 1.371 56.666 55.300 -0.009 0.000 1.122 239 M CB -0.197 32.400 32.600 -0.006 0.000 1.365 239 M HN 0.204 nan 8.290 nan 0.000 0.411 240 A N 0.146 122.963 122.820 -0.005 0.000 2.070 240 A HA 0.048 4.370 4.320 0.003 0.000 0.220 240 A C 2.188 179.769 177.584 -0.006 0.000 1.159 240 A CA 1.715 53.749 52.037 -0.005 0.000 0.656 240 A CB -0.690 18.310 19.000 -0.000 0.000 0.800 240 A HN 0.502 nan 8.150 nan 0.000 0.453 241 A N -1.205 121.610 122.820 -0.007 0.000 2.238 241 A HA 0.289 4.611 4.320 0.003 0.000 0.210 241 A C 0.997 178.573 177.584 -0.013 0.000 1.179 241 A CA 0.511 52.542 52.037 -0.009 0.000 0.827 241 A CB -0.399 18.595 19.000 -0.009 0.000 0.856 241 A HN 0.254 nan 8.150 nan 0.000 0.488 242 T N 1.543 116.088 114.554 -0.014 0.000 2.779 242 T HA 0.191 4.543 4.350 0.003 0.000 0.296 242 T C -0.117 174.574 174.700 -0.015 0.000 0.938 242 T CA 0.022 62.112 62.100 -0.017 0.000 1.119 242 T CB 0.602 69.459 68.868 -0.018 0.000 0.891 242 T HN 0.468 nan 8.240 nan 0.000 0.526 243 E N 2.966 123.156 120.200 -0.016 0.000 2.152 243 E HA 0.147 4.499 4.350 0.003 0.000 0.285 243 E C -0.429 176.163 176.600 -0.013 0.000 1.043 243 E CA -0.609 55.783 56.400 -0.013 0.000 0.839 243 E CB 0.594 30.286 29.700 -0.013 0.000 1.069 243 E HN 0.368 nan 8.360 nan 0.000 0.399 244 Q N 3.704 123.497 119.800 -0.012 0.000 2.360 244 Q HA 0.137 4.479 4.340 0.003 0.000 0.254 244 Q C -1.120 174.875 176.000 -0.009 0.000 0.975 244 Q CA -0.356 55.440 55.803 -0.012 0.000 0.912 244 Q CB 0.867 29.598 28.738 -0.012 0.000 1.212 244 Q HN 0.451 nan 8.270 nan 0.000 0.452 245 D N 2.738 123.133 120.400 -0.009 0.000 2.357 245 D HA 0.099 4.740 4.640 0.003 0.000 0.242 245 D C -0.214 176.083 176.300 -0.005 0.000 1.153 245 D CA 0.037 54.034 54.000 -0.006 0.000 0.918 245 D CB 0.859 41.656 40.800 -0.005 0.000 1.181 245 D HN 0.390 nan 8.370 nan 0.000 0.435 246 K N 0.209 120.609 120.400 -0.001 0.000 2.202 246 K HA 0.157 4.478 4.320 0.003 0.000 0.264 246 K C 0.641 177.240 176.600 -0.001 0.000 1.010 246 K CA -0.390 55.898 56.287 0.002 0.000 0.940 246 K CB 0.630 33.134 32.500 0.008 0.000 0.983 246 K HN 0.465 nan 8.250 nan 0.000 0.475 247 T N -0.715 113.838 114.554 -0.002 0.000 2.802 247 T HA 0.057 4.409 4.350 0.003 0.000 0.305 247 T C -1.881 172.813 174.700 -0.011 0.000 1.053 247 T CA -1.388 60.704 62.100 -0.012 0.000 1.058 247 T CB 0.606 69.466 68.868 -0.013 0.000 0.988 247 T HN 0.265 nan 8.240 nan 0.000 0.539 248 P HA -0.060 nan 4.420 nan 0.000 0.218 248 P C 1.587 178.889 177.300 0.002 0.000 1.148 248 P CA 0.330 63.413 63.100 -0.028 0.000 0.822 248 P CB -0.039 31.614 31.700 -0.077 0.000 0.784 249 L N -0.293 120.936 121.223 0.010 0.000 2.072 249 L HA -0.123 4.219 4.340 0.003 0.000 0.205 249 L C 2.168 179.075 176.870 0.062 0.000 1.079 249 L CA 1.869 56.750 54.840 0.069 0.000 0.752 249 L CB -1.492 40.636 42.059 0.114 0.000 0.906 249 L HN -0.076 nan 8.230 nan 0.000 0.436 250 Q N -0.962 118.865 119.800 0.045 0.000 2.124 250 Q HA -0.247 4.095 4.340 0.003 0.000 0.202 250 Q C 2.201 178.229 176.000 0.047 0.000 0.977 250 Q CA 1.992 57.822 55.803 0.045 0.000 0.850 250 Q CB -0.127 28.629 28.738 0.030 0.000 0.901 250 Q HN 0.662 nan 8.270 nan 0.000 0.429 251 Q N -0.146 119.678 119.800 0.040 0.000 2.123 251 Q HA -0.086 4.256 4.340 0.003 0.000 0.199 251 Q C 1.926 177.963 176.000 0.061 0.000 0.966 251 Q CA 0.623 56.451 55.803 0.042 0.000 0.845 251 Q CB 0.189 28.945 28.738 0.030 0.000 0.907 251 Q HN 0.083 nan 8.270 nan 0.000 0.439 252 K N 0.560 121.000 120.400 0.067 0.000 2.097 252 K HA -0.094 4.228 4.320 0.003 0.000 0.205 252 K C 1.985 178.656 176.600 0.118 0.000 1.050 252 K CA 0.682 57.020 56.287 0.086 0.000 0.938 252 K CB -0.277 32.271 32.500 0.080 0.000 0.718 252 K HN 0.120 nan 8.250 nan 0.000 0.442 253 L N 1.997 123.284 121.223 0.108 0.000 2.083 253 L HA -0.161 4.181 4.340 0.003 0.000 0.209 253 L C 1.632 178.610 176.870 0.181 0.000 1.083 253 L CA 1.792 56.720 54.840 0.147 0.000 0.752 253 L CB -0.578 41.544 42.059 0.104 0.000 0.899 253 L HN 0.130 nan 8.230 nan 0.000 0.433 254 D N -0.899 119.568 120.400 0.112 0.000 2.183 254 D HA -0.193 4.449 4.640 0.003 0.000 0.203 254 D C 2.012 178.357 176.300 0.075 0.000 0.969 254 D CA 1.212 55.259 54.000 0.078 0.000 0.842 254 D CB 0.106 40.935 40.800 0.048 0.000 0.957 254 D HN 0.615 nan 8.370 nan 0.000 0.484 255 E N 0.251 120.509 120.200 0.097 0.000 2.106 255 E HA -0.190 4.162 4.350 0.003 0.000 0.192 255 E C 2.065 178.732 176.600 0.112 0.000 0.984 255 E CA 0.525 56.977 56.400 0.087 0.000 0.806 255 E CB -0.585 29.171 29.700 0.093 0.000 0.750 255 E HN 0.221 nan 8.360 nan 0.000 0.458 256 F N 1.997 121.957 119.950 0.017 0.000 2.216 256 F HA 0.068 4.596 4.527 0.003 0.000 0.300 256 F C 1.967 177.768 175.800 0.001 0.000 1.085 256 F CA 1.767 59.773 58.000 0.010 0.000 1.326 256 F CB -0.567 38.435 39.000 0.004 0.000 1.027 256 F HN 0.085 nan 8.300 nan 0.000 0.497 257 G N 0.468 109.173 108.800 -0.158 0.000 2.434 257 G HA2 -0.212 3.750 3.960 0.003 0.000 0.214 257 G HA3 -0.212 3.750 3.960 0.003 0.000 0.214 257 G C 1.484 176.253 174.900 -0.218 0.000 1.202 257 G CA 0.785 45.730 45.100 -0.259 0.000 0.788 257 G HN 0.401 nan 8.290 nan 0.000 0.539 258 E N 0.608 120.744 120.200 -0.107 0.000 2.048 258 E HA -0.219 4.133 4.350 0.003 0.000 0.202 258 E C 2.511 179.049 176.600 -0.102 0.000 1.021 258 E CA 1.168 57.522 56.400 -0.077 0.000 0.825 258 E CB -0.570 29.112 29.700 -0.030 0.000 0.756 258 E HN 0.340 nan 8.360 nan 0.000 0.454 259 Q N 0.432 120.174 119.800 -0.097 0.000 2.077 259 Q HA -0.150 4.192 4.340 0.003 0.000 0.206 259 Q C 2.409 178.311 176.000 -0.164 0.000 0.989 259 Q CA 0.864 56.614 55.803 -0.087 0.000 0.853 259 Q CB -0.607 28.120 28.738 -0.020 0.000 0.907 259 Q HN 0.239 nan 8.270 nan 0.000 0.418 260 L N 0.478 121.496 121.223 -0.341 0.000 2.042 260 L HA -0.151 4.190 4.340 0.003 0.000 0.210 260 L C 2.389 179.123 176.870 -0.226 0.000 1.076 260 L CA 2.156 56.760 54.840 -0.393 0.000 0.749 260 L CB -0.975 40.643 42.059 -0.734 0.000 0.893 260 L HN 0.111 nan 8.230 nan 0.000 0.432 261 S N -0.860 114.725 115.700 -0.190 0.000 2.355 261 S HA -0.217 4.255 4.470 0.003 0.000 0.222 261 S C 2.127 176.674 174.600 -0.089 0.000 1.031 261 S CA 1.422 59.549 58.200 -0.121 0.000 0.993 261 S CB -0.345 62.796 63.200 -0.097 0.000 0.859 261 S HN 0.472 nan 8.310 nan 0.000 0.453 262 K N 1.196 121.547 120.400 -0.081 0.000 2.147 262 K HA 0.027 4.348 4.320 0.003 0.000 0.205 262 K C 1.680 178.248 176.600 -0.053 0.000 1.049 262 K CA 1.606 57.860 56.287 -0.055 0.000 0.936 262 K CB -0.795 31.681 32.500 -0.040 0.000 0.722 262 K HN 0.333 nan 8.250 nan 0.000 0.446 263 V N 0.733 120.607 119.914 -0.068 0.000 2.488 263 V HA -0.126 3.996 4.120 0.003 0.000 0.246 263 V C 2.255 178.309 176.094 -0.067 0.000 1.046 263 V CA 1.435 63.698 62.300 -0.062 0.000 1.053 263 V CB -0.335 31.449 31.823 -0.066 0.000 0.679 263 V HN 0.238 nan 8.190 nan 0.000 0.458 264 I N 1.369 121.895 120.570 -0.073 0.000 2.127 264 I HA -0.293 3.878 4.170 0.003 0.000 0.241 264 I C 2.831 178.919 176.117 -0.049 0.000 1.075 264 I CA 2.113 63.376 61.300 -0.061 0.000 1.334 264 I CB -0.676 37.284 38.000 -0.066 0.000 1.040 264 I HN 0.525 nan 8.210 nan 0.000 0.405 265 S N 1.259 116.929 115.700 -0.050 0.000 2.374 265 S HA -0.207 4.265 4.470 0.003 0.000 0.227 265 S C 2.113 176.695 174.600 -0.030 0.000 1.037 265 S CA 0.990 59.165 58.200 -0.043 0.000 1.024 265 S CB -0.797 62.376 63.200 -0.045 0.000 0.861 265 S HN 0.327 nan 8.310 nan 0.000 0.456 266 L N 1.400 122.603 121.223 -0.033 0.000 2.131 266 L HA 0.119 4.460 4.340 0.003 0.000 0.210 266 L C 2.298 179.152 176.870 -0.027 0.000 1.092 266 L CA 1.572 56.397 54.840 -0.025 0.000 0.759 266 L CB -1.041 40.998 42.059 -0.033 0.000 0.903 266 L HN 0.461 nan 8.230 nan 0.000 0.435 267 I N -1.931 118.610 120.570 -0.047 0.000 2.761 267 I HA -0.255 3.917 4.170 0.003 0.000 0.261 267 I C 2.523 178.666 176.117 0.044 0.000 1.198 267 I CA 0.272 61.539 61.300 -0.056 0.000 1.482 267 I CB -0.248 37.700 38.000 -0.086 0.000 1.100 267 I HN 0.261 nan 8.210 nan 0.000 0.445 268 C N 0.255 119.574 119.300 0.031 0.000 2.466 268 C HA -0.078 4.384 4.460 0.003 0.000 0.278 268 C C 2.838 177.898 174.990 0.117 0.000 1.288 268 C CA 0.454 59.503 59.018 0.052 0.000 1.722 268 C CB -0.500 27.241 27.740 0.001 0.000 2.017 268 C HN 0.325 nan 8.230 nan 0.000 0.488 269 V N 1.283 121.256 119.914 0.098 0.000 2.626 269 V HA -0.133 3.989 4.120 0.003 0.000 0.252 269 V C 2.591 178.841 176.094 0.260 0.000 1.067 269 V CA 1.930 64.332 62.300 0.170 0.000 1.081 269 V CB -1.139 30.739 31.823 0.091 0.000 0.686 269 V HN 0.590 nan 8.190 nan 0.000 0.468 270 A N -0.009 122.918 122.820 0.178 0.000 1.897 270 A HA -0.109 4.212 4.320 0.003 0.000 0.215 270 A C 2.291 180.052 177.584 0.296 0.000 1.181 270 A CA 1.712 53.871 52.037 0.204 0.000 0.620 270 A CB -0.543 18.508 19.000 0.085 0.000 0.821 270 A HN 0.345 nan 8.150 nan 0.000 0.443 271 V N -2.316 117.765 119.914 0.278 0.000 2.913 271 V HA -0.208 3.914 4.120 0.003 0.000 0.260 271 V C 1.984 178.149 176.094 0.118 0.000 1.098 271 V CA 1.607 64.012 62.300 0.175 0.000 1.121 271 V CB -0.791 31.070 31.823 0.062 0.000 0.714 271 V HN 0.839 nan 8.190 nan 0.000 0.487 272 W N 0.233 121.561 121.300 0.046 0.000 2.526 272 W HA 0.064 4.726 4.660 0.003 0.000 0.294 272 W C 1.977 178.584 176.519 0.146 0.000 1.181 272 W CA 0.729 58.139 57.345 0.108 0.000 1.373 272 W CB -0.062 29.480 29.460 0.136 0.000 1.112 272 W HN 0.120 nan 8.180 nan 0.000 0.545 273 L N 0.733 122.086 121.223 0.218 0.000 2.353 273 L HA -0.168 4.174 4.340 0.003 0.000 0.220 273 L C 1.918 178.757 176.870 -0.051 0.000 1.133 273 L CA 0.941 55.795 54.840 0.024 0.000 0.798 273 L CB -0.564 41.600 42.059 0.174 0.000 0.922 273 L HN 0.074 nan 8.230 nan 0.000 0.445 274 I N -0.914 119.657 120.570 0.002 0.000 3.226 274 I HA -0.105 4.067 4.170 0.003 0.000 0.277 274 I C 1.079 177.166 176.117 -0.050 0.000 1.243 274 I CA 0.814 62.111 61.300 -0.005 0.000 1.459 274 I CB -0.047 37.974 38.000 0.035 0.000 1.093 274 I HN 0.283 nan 8.210 nan 0.000 0.453 275 N N 0.555 119.213 118.700 -0.069 0.000 2.238 275 N HA 0.250 4.991 4.740 0.003 0.000 0.222 275 N C 1.392 176.873 175.510 -0.048 0.000 1.133 275 N CA -0.124 52.932 53.050 0.011 0.000 0.854 275 N CB 0.578 39.211 38.487 0.243 0.000 1.041 275 N HN 0.230 nan 8.380 nan 0.000 0.510 276 I N 0.208 120.665 120.570 -0.188 0.000 2.850 276 I HA -0.109 4.063 4.170 0.003 0.000 0.266 276 I C 2.312 178.476 176.117 0.079 0.000 1.257 276 I CA 0.694 61.909 61.300 -0.141 0.000 1.465 276 I CB -0.247 37.564 38.000 -0.316 0.000 1.091 276 I HN 0.220 nan 8.210 nan 0.000 0.467 277 G N -0.208 108.563 108.800 -0.049 0.000 2.559 277 G HA2 -0.179 3.783 3.960 0.003 0.000 0.216 277 G HA3 -0.179 3.783 3.960 0.003 0.000 0.216 277 G C 1.382 176.227 174.900 -0.092 0.000 1.126 277 G CA 0.214 45.265 45.100 -0.082 0.000 0.778 277 G HN 0.422 nan 8.290 nan 0.000 0.543 278 H N -0.552 118.518 119.070 -0.000 0.000 2.546 278 H HA 0.067 4.625 4.556 0.003 0.000 0.277 278 H C 1.551 176.789 175.328 -0.151 0.000 1.004 278 H CA 0.277 56.263 56.048 -0.104 0.000 1.231 278 H CB 0.009 29.652 29.762 -0.197 0.000 1.382 278 H HN 0.420 nan 8.280 nan 0.000 0.580 279 F N 0.587 120.534 119.950 -0.005 0.000 2.604 279 F HA -0.030 4.499 4.527 0.003 0.000 0.298 279 F C 1.604 177.406 175.800 0.003 0.000 1.131 279 F CA 0.501 58.496 58.000 -0.008 0.000 1.457 279 F CB 0.151 39.140 39.000 -0.020 0.000 1.095 279 F HN 0.058 nan 8.300 nan 0.000 0.574 280 N N -0.212 118.572 118.700 0.140 0.000 2.251 280 N HA 0.013 4.755 4.740 0.003 0.000 0.217 280 N C -0.423 175.120 175.510 0.056 0.000 1.124 280 N CA 0.229 53.328 53.050 0.082 0.000 0.843 280 N CB 0.058 38.571 38.487 0.044 0.000 1.024 280 N HN 0.163 nan 8.380 nan 0.000 0.501 281 D N 1.474 121.910 120.400 0.061 0.000 2.340 281 D HA 0.254 4.896 4.640 0.003 0.000 0.251 281 D C -1.773 174.583 176.300 0.093 0.000 1.080 281 D CA -1.044 52.998 54.000 0.071 0.000 0.971 281 D CB 0.985 41.844 40.800 0.098 0.000 1.137 281 D HN 0.080 nan 8.370 nan 0.000 0.475 282 P HA -0.037 nan 4.420 nan 0.000 0.269 282 P C 0.944 178.331 177.300 0.146 0.000 1.209 282 P CA -0.319 62.856 63.100 0.125 0.000 0.776 282 P CB 1.088 32.864 31.700 0.127 0.000 0.876 283 V N 2.679 122.664 119.914 0.118 0.000 2.392 283 V HA -0.178 3.944 4.120 0.003 0.000 0.249 283 V C 0.513 176.522 176.094 -0.141 0.000 1.059 283 V CA 1.723 64.031 62.300 0.014 0.000 1.051 283 V CB -1.099 30.658 31.823 -0.111 0.000 0.658 283 V HN 0.583 nan 8.190 nan 0.000 0.455 284 H N -0.230 118.873 119.070 0.056 0.000 2.458 284 H HA 0.701 5.259 4.556 0.003 0.000 0.330 284 H C 0.301 175.656 175.328 0.044 0.000 1.111 284 H CA 0.336 56.389 56.048 0.009 0.000 1.245 284 H CB 1.302 31.057 29.762 -0.012 0.000 1.456 284 H HN 0.601 nan 8.280 nan 0.000 0.488 285 G N 0.625 109.502 108.800 0.128 0.000 2.406 285 G HA2 0.444 4.406 3.960 0.003 0.000 0.680 285 G HA3 0.444 4.406 3.960 0.003 0.000 0.680 285 G C -0.018 174.964 174.900 0.137 0.000 1.338 285 G CA -0.197 44.972 45.100 0.115 0.000 0.941 285 G HN 1.179 nan 8.290 nan 0.000 0.633 286 G N -0.837 108.028 108.800 0.108 0.000 2.915 286 G HA2 0.301 4.263 3.960 0.003 0.000 0.337 286 G HA3 0.301 4.263 3.960 0.003 0.000 0.337 286 G C 0.121 175.103 174.900 0.137 0.000 1.477 286 G CA 0.537 45.707 45.100 0.117 0.000 0.916 286 G HN 2.021 nan 8.290 nan 0.000 0.550 287 S N 0.132 115.904 115.700 0.120 0.000 2.520 287 S HA 0.406 4.877 4.470 0.003 0.000 0.324 287 S C 0.440 175.163 174.600 0.205 0.000 1.069 287 S CA -0.324 57.950 58.200 0.123 0.000 1.121 287 S CB 0.910 64.133 63.200 0.038 0.000 0.971 287 S HN 0.569 nan 8.310 nan 0.000 0.463 288 W N 2.124 123.367 121.300 -0.095 0.000 2.611 288 W HA 0.063 4.725 4.660 0.003 0.000 0.251 288 W C 1.563 178.016 176.519 -0.111 0.000 1.265 288 W CA -0.270 57.001 57.345 -0.122 0.000 1.295 288 W CB -0.530 28.867 29.460 -0.105 0.000 1.129 288 W HN 0.643 nan 8.180 nan 0.000 0.630 289 I N 0.029 120.683 120.570 0.140 0.000 2.867 289 I HA -0.019 4.152 4.170 0.003 0.000 0.265 289 I C 2.292 178.421 176.117 0.019 0.000 1.162 289 I CA 1.176 62.522 61.300 0.076 0.000 1.471 289 I CB -0.244 37.812 38.000 0.094 0.000 1.123 289 I HN -0.227 nan 8.210 nan 0.000 0.440 290 R N 0.015 120.522 120.500 0.012 0.000 2.148 290 R HA 0.037 4.378 4.340 0.003 0.000 0.223 290 R C 2.199 178.503 176.300 0.007 0.000 1.088 290 R CA 1.019 57.120 56.100 0.002 0.000 0.985 290 R CB -0.630 29.662 30.300 -0.014 0.000 0.880 290 R HN 0.491 nan 8.270 nan 0.000 0.451 291 G N 0.897 109.654 108.800 -0.071 0.000 2.404 291 G HA2 -0.242 3.720 3.960 0.003 0.000 0.215 291 G HA3 -0.242 3.720 3.960 0.003 0.000 0.215 291 G C 1.559 176.354 174.900 -0.174 0.000 1.174 291 G CA 0.727 45.719 45.100 -0.180 0.000 0.780 291 G HN 0.367 nan 8.290 nan 0.000 0.537 292 A N 0.918 123.625 122.820 -0.189 0.000 1.883 292 A HA -0.023 4.299 4.320 0.003 0.000 0.217 292 A C 2.408 179.971 177.584 -0.035 0.000 1.186 292 A CA 1.443 53.376 52.037 -0.174 0.000 0.624 292 A CB -0.447 18.398 19.000 -0.258 0.000 0.822 292 A HN 0.376 nan 8.150 nan 0.000 0.444 293 I N -2.076 118.492 120.570 -0.003 0.000 2.264 293 I HA -0.275 3.897 4.170 0.003 0.000 0.248 293 I C 2.453 178.719 176.117 0.249 0.000 1.111 293 I CA 1.733 63.087 61.300 0.089 0.000 1.382 293 I CB -0.403 37.638 38.000 0.067 0.000 1.060 293 I HN 0.543 nan 8.210 nan 0.000 0.418 294 Y N 1.148 121.543 120.300 0.158 0.000 2.089 294 Y HA -0.339 4.213 4.550 0.003 0.000 0.282 294 Y C 2.517 178.647 175.900 0.384 0.000 1.139 294 Y CA 1.700 59.944 58.100 0.240 0.000 1.123 294 Y CB -0.731 37.880 38.460 0.252 0.000 0.980 294 Y HN 0.047 nan 8.280 nan 0.000 0.493 295 Y N -0.958 119.486 120.300 0.240 0.000 2.151 295 Y HA -0.275 4.277 4.550 0.003 0.000 0.284 295 Y C 2.325 178.353 175.900 0.214 0.000 1.166 295 Y CA 1.491 59.711 58.100 0.200 0.000 1.163 295 Y CB -1.393 37.265 38.460 0.330 0.000 0.974 295 Y HN 0.156 nan 8.280 nan 0.000 0.511 296 F N -0.142 119.927 119.950 0.197 0.000 2.234 296 F HA -0.100 4.429 4.527 0.003 0.000 0.299 296 F C 2.261 178.103 175.800 0.069 0.000 1.087 296 F CA 1.018 59.091 58.000 0.122 0.000 1.340 296 F CB -0.650 38.424 39.000 0.124 0.000 1.031 296 F HN -0.050 nan 8.300 nan 0.000 0.500 297 K N 0.516 121.054 120.400 0.231 0.000 2.097 297 K HA -0.134 4.187 4.320 0.003 0.000 0.205 297 K C 2.041 178.650 176.600 0.014 0.000 1.050 297 K CA 1.565 57.915 56.287 0.105 0.000 0.938 297 K CB -0.309 32.232 32.500 0.068 0.000 0.718 297 K HN 0.414 nan 8.250 nan 0.000 0.442 298 I N -2.846 117.683 120.570 -0.069 0.000 2.761 298 I HA 0.025 4.197 4.170 0.003 0.000 0.261 298 I C 1.984 178.077 176.117 -0.040 0.000 1.198 298 I CA 0.847 62.087 61.300 -0.099 0.000 1.482 298 I CB -0.048 37.825 38.000 -0.213 0.000 1.100 298 I HN -0.101 nan 8.210 nan 0.000 0.445 299 A N 1.564 124.369 122.820 -0.025 0.000 1.873 299 A HA -0.071 4.251 4.320 0.003 0.000 0.215 299 A C 2.382 179.959 177.584 -0.012 0.000 1.186 299 A CA 1.980 53.993 52.037 -0.039 0.000 0.616 299 A CB -1.127 17.812 19.000 -0.101 0.000 0.823 299 A HN 0.317 nan 8.150 nan 0.000 0.442 300 V N -0.020 119.904 119.914 0.017 0.000 2.324 300 V HA -0.308 3.814 4.120 0.003 0.000 0.250 300 V C 3.040 179.155 176.094 0.034 0.000 1.060 300 V CA 2.163 64.487 62.300 0.040 0.000 1.042 300 V CB -1.180 30.688 31.823 0.076 0.000 0.650 300 V HN 0.627 nan 8.190 nan 0.000 0.450 301 A N -0.855 121.981 122.820 0.027 0.000 1.930 301 A HA -0.092 4.230 4.320 0.003 0.000 0.217 301 A C 2.213 179.809 177.584 0.020 0.000 1.175 301 A CA 1.289 53.342 52.037 0.027 0.000 0.627 301 A CB -0.411 18.600 19.000 0.018 0.000 0.815 301 A HN 0.387 nan 8.150 nan 0.000 0.443 302 L N -0.347 120.882 121.223 0.010 0.000 1.976 302 L HA -0.161 4.181 4.340 0.003 0.000 0.209 302 L C 2.958 179.829 176.870 0.000 0.000 1.071 302 L CA 2.284 57.128 54.840 0.008 0.000 0.746 302 L CB -1.456 40.603 42.059 0.001 0.000 0.890 302 L HN 0.433 nan 8.230 nan 0.000 0.432 303 A N -0.916 121.902 122.820 -0.003 0.000 1.908 303 A HA -0.176 4.146 4.320 0.003 0.000 0.218 303 A C 2.270 179.856 177.584 0.004 0.000 1.181 303 A CA 2.028 54.061 52.037 -0.007 0.000 0.627 303 A CB -0.788 18.210 19.000 -0.004 0.000 0.818 303 A HN 0.316 nan 8.150 nan 0.000 0.445 304 V N -0.698 119.228 119.914 0.019 0.000 2.871 304 V HA -0.084 4.038 4.120 0.003 0.000 0.256 304 V C 2.806 178.914 176.094 0.023 0.000 1.082 304 V CA 1.521 63.838 62.300 0.029 0.000 1.105 304 V CB -0.699 31.153 31.823 0.048 0.000 0.713 304 V HN 0.610 nan 8.190 nan 0.000 0.473 305 A N -0.170 122.661 122.820 0.019 0.000 2.021 305 A HA 0.214 4.536 4.320 0.003 0.000 0.216 305 A C 2.280 179.867 177.584 0.004 0.000 1.163 305 A CA 1.322 53.367 52.037 0.013 0.000 0.676 305 A CB -0.323 18.688 19.000 0.018 0.000 0.818 305 A HN 0.499 nan 8.150 nan 0.000 0.453 306 A N -0.715 122.105 122.820 -0.000 0.000 2.072 306 A HA 0.300 4.622 4.320 0.003 0.000 0.216 306 A C 0.725 178.317 177.584 0.013 0.000 1.156 306 A CA 0.329 52.362 52.037 -0.005 0.000 0.701 306 A CB -0.089 18.889 19.000 -0.037 0.000 0.816 306 A HN 0.304 nan 8.150 nan 0.000 0.458 307 I N 1.669 122.245 120.570 0.010 0.000 2.325 307 I HA 0.216 4.388 4.170 0.003 0.000 0.291 307 I C -2.500 173.639 176.117 0.037 0.000 1.019 307 I CA -2.641 58.676 61.300 0.028 0.000 1.302 307 I CB 0.902 38.907 38.000 0.008 0.000 1.401 307 I HN 0.042 nan 8.210 nan 0.000 0.485 308 P HA 0.207 nan 4.420 nan 0.000 0.256 308 P C 0.210 177.512 177.300 0.003 0.000 1.689 308 P CA -0.238 62.871 63.100 0.015 0.000 1.124 308 P CB 0.597 32.305 31.700 0.013 0.000 1.766 309 E N 2.363 122.558 120.200 -0.008 0.000 2.130 309 E HA -0.153 4.199 4.350 0.003 0.000 0.196 309 E C 2.156 178.733 176.600 -0.038 0.000 0.998 309 E CA 2.011 58.402 56.400 -0.016 0.000 0.806 309 E CB -0.679 29.015 29.700 -0.009 0.000 0.738 309 E HN 0.529 nan 8.360 nan 0.000 0.459 310 G N -0.333 108.432 108.800 -0.059 0.000 3.042 310 G HA2 -0.018 3.944 3.960 0.003 0.000 0.212 310 G HA3 -0.018 3.944 3.960 0.003 0.000 0.212 310 G C 1.204 176.044 174.900 -0.099 0.000 1.166 310 G CA -0.177 44.871 45.100 -0.087 0.000 0.767 310 G HN 0.131 nan 8.290 nan 0.000 0.546 311 L N 2.112 123.295 121.223 -0.067 0.000 2.046 311 L HA 0.072 4.414 4.340 0.003 0.000 0.208 311 L C 0.183 177.027 176.870 -0.044 0.000 1.077 311 L CA 1.836 56.643 54.840 -0.055 0.000 0.747 311 L CB -0.803 41.253 42.059 -0.005 0.000 0.896 311 L HN 0.051 nan 8.230 nan 0.000 0.432 312 P HA -0.134 nan 4.420 nan 0.000 0.220 312 P C 1.234 178.508 177.300 -0.043 0.000 1.148 312 P CA 1.908 64.998 63.100 -0.017 0.000 0.803 312 P CB -0.069 31.621 31.700 -0.016 0.000 0.782 313 A N -0.332 122.441 122.820 -0.079 0.000 1.975 313 A HA 0.023 4.344 4.320 0.003 0.000 0.215 313 A C 2.386 179.882 177.584 -0.146 0.000 1.170 313 A CA 0.872 52.850 52.037 -0.097 0.000 0.656 313 A CB -1.262 17.677 19.000 -0.102 0.000 0.821 313 A HN 0.025 nan 8.150 nan 0.000 0.449 314 V N 0.391 120.169 119.914 -0.226 0.000 2.307 314 V HA -0.237 3.885 4.120 0.003 0.000 0.245 314 V C 2.400 178.251 176.094 -0.405 0.000 1.045 314 V CA 1.884 63.935 62.300 -0.415 0.000 1.024 314 V CB -0.680 30.757 31.823 -0.643 0.000 0.651 314 V HN 0.555 nan 8.190 nan 0.000 0.449 315 I N 0.191 120.636 120.570 -0.209 0.000 2.163 315 I HA -0.290 3.882 4.170 0.003 0.000 0.243 315 I C 2.557 178.703 176.117 0.048 0.000 1.085 315 I CA 2.065 63.414 61.300 0.083 0.000 1.347 315 I CB -0.627 37.465 38.000 0.153 0.000 1.044 315 I HN 0.333 nan 8.210 nan 0.000 0.408 316 T N -0.281 114.272 114.554 -0.002 0.000 2.788 316 T HA -0.163 4.188 4.350 0.003 0.000 0.268 316 T C 1.865 176.565 174.700 0.001 0.000 1.044 316 T CA 1.933 64.040 62.100 0.011 0.000 1.139 316 T CB -0.288 68.580 68.868 0.000 0.000 0.867 316 T HN 0.375 nan 8.240 nan 0.000 0.454 317 T N 0.720 115.247 114.554 -0.044 0.000 2.812 317 T HA -0.101 4.250 4.350 0.003 0.000 0.264 317 T C 2.270 176.976 174.700 0.010 0.000 1.042 317 T CA 1.023 63.103 62.100 -0.034 0.000 1.140 317 T CB -0.672 68.148 68.868 -0.081 0.000 0.870 317 T HN 0.511 nan 8.240 nan 0.000 0.445 318 C N 1.259 120.561 119.300 0.003 0.000 2.432 318 C HA -0.026 4.436 4.460 0.003 0.000 0.277 318 C C 2.497 177.554 174.990 0.112 0.000 1.249 318 C CA 0.458 59.535 59.018 0.098 0.000 1.725 318 C CB -1.420 26.443 27.740 0.205 0.000 2.028 318 C HN 0.349 nan 8.230 nan 0.000 0.477 319 L N 1.644 122.925 121.223 0.097 0.000 2.017 319 L HA -0.017 4.324 4.340 0.003 0.000 0.208 319 L C 2.895 179.800 176.870 0.059 0.000 1.073 319 L CA 2.386 57.275 54.840 0.081 0.000 0.745 319 L CB -1.525 40.582 42.059 0.079 0.000 0.894 319 L HN 0.445 nan 8.230 nan 0.000 0.432 320 A N -0.924 121.927 122.820 0.051 0.000 1.877 320 A HA -0.171 4.151 4.320 0.003 0.000 0.216 320 A C 2.344 179.947 177.584 0.032 0.000 1.186 320 A CA 1.604 53.666 52.037 0.042 0.000 0.620 320 A CB -0.743 18.279 19.000 0.036 0.000 0.822 320 A HN 0.383 nan 8.150 nan 0.000 0.443 321 L N -0.761 120.483 121.223 0.036 0.000 2.017 321 L HA -0.155 4.187 4.340 0.003 0.000 0.208 321 L C 2.868 179.739 176.870 0.001 0.000 1.073 321 L CA 1.258 56.105 54.840 0.013 0.000 0.745 321 L CB -0.910 41.173 42.059 0.040 0.000 0.894 321 L HN 0.506 nan 8.230 nan 0.000 0.432 322 G N -1.039 107.780 108.800 0.032 0.000 2.422 322 G HA2 -0.239 3.723 3.960 0.003 0.000 0.218 322 G HA3 -0.239 3.723 3.960 0.003 0.000 0.218 322 G C 1.562 176.469 174.900 0.011 0.000 1.146 322 G CA 1.259 46.372 45.100 0.022 0.000 0.769 322 G HN 0.278 nan 8.290 nan 0.000 0.547 323 T N 0.732 115.297 114.554 0.019 0.000 2.684 323 T HA -0.116 4.236 4.350 0.003 0.000 0.267 323 T C 2.472 177.175 174.700 0.005 0.000 1.036 323 T CA 1.248 63.357 62.100 0.014 0.000 1.148 323 T CB -0.178 68.704 68.868 0.023 0.000 0.863 323 T HN 0.280 nan 8.240 nan 0.000 0.436 324 R N 0.502 121.003 120.500 0.002 0.000 2.152 324 R HA 0.016 4.358 4.340 0.003 0.000 0.232 324 R C 2.631 178.923 176.300 -0.014 0.000 1.117 324 R CA 0.869 56.966 56.100 -0.004 0.000 0.981 324 R CB -0.180 30.116 30.300 -0.008 0.000 0.870 324 R HN 0.292 nan 8.270 nan 0.000 0.451 325 R N 0.665 121.153 120.500 -0.020 0.000 2.093 325 R HA -0.003 4.339 4.340 0.003 0.000 0.224 325 R C 2.023 178.312 176.300 -0.018 0.000 1.101 325 R CA 1.088 57.172 56.100 -0.027 0.000 0.979 325 R CB 0.031 30.308 30.300 -0.037 0.000 0.877 325 R HN 0.161 nan 8.270 nan 0.000 0.441 326 M N -0.171 119.421 119.600 -0.012 0.000 2.254 326 M HA -0.012 4.470 4.480 0.003 0.000 0.265 326 M C 2.253 178.546 176.300 -0.012 0.000 1.066 326 M CA 1.401 56.693 55.300 -0.013 0.000 1.123 326 M CB 0.045 32.639 32.600 -0.010 0.000 1.388 326 M HN 0.246 nan 8.290 nan 0.000 0.425 327 A N 0.115 122.930 122.820 -0.009 0.000 2.067 327 A HA -0.111 4.211 4.320 0.003 0.000 0.219 327 A C 2.020 179.599 177.584 -0.008 0.000 1.158 327 A CA 1.228 53.261 52.037 -0.007 0.000 0.661 327 A CB -0.343 18.655 19.000 -0.002 0.000 0.801 327 A HN 0.264 nan 8.150 nan 0.000 0.452 328 K N 0.147 120.541 120.400 -0.010 0.000 2.288 328 K HA -0.016 4.306 4.320 0.003 0.000 0.201 328 K C 0.680 177.274 176.600 -0.011 0.000 1.048 328 K CA 0.908 57.189 56.287 -0.010 0.000 0.956 328 K CB -0.057 32.436 32.500 -0.013 0.000 0.746 328 K HN 0.498 nan 8.250 nan 0.000 0.461 329 K N 1.054 121.446 120.400 -0.014 0.000 2.498 329 K HA 0.123 4.445 4.320 0.003 0.000 0.207 329 K C -0.384 176.206 176.600 -0.017 0.000 1.033 329 K CA -0.182 56.095 56.287 -0.016 0.000 1.138 329 K CB 0.321 32.809 32.500 -0.021 0.000 0.860 329 K HN 0.013 nan 8.250 nan 0.000 0.490 330 N N -0.011 118.681 118.700 -0.013 0.000 2.800 330 N HA -0.173 4.569 4.740 0.003 0.000 0.250 330 N C -0.783 174.718 175.510 -0.015 0.000 1.078 330 N CA 1.151 54.194 53.050 -0.011 0.000 0.804 330 N CB -1.241 37.241 38.487 -0.009 0.000 1.135 330 N HN 0.364 nan 8.380 nan 0.000 0.565 331 A N 0.738 123.547 122.820 -0.018 0.000 2.267 331 A HA 0.672 4.994 4.320 0.003 0.000 0.315 331 A C 0.399 177.975 177.584 -0.013 0.000 1.297 331 A CA -0.503 51.522 52.037 -0.020 0.000 0.865 331 A CB 0.507 19.489 19.000 -0.029 0.000 1.165 331 A HN 0.239 nan 8.150 nan 0.000 0.513 332 I N 4.011 124.575 120.570 -0.010 0.000 2.287 332 I HA 0.190 4.361 4.170 0.003 0.000 0.290 332 I C -0.475 175.639 176.117 -0.006 0.000 1.069 332 I CA -0.530 60.767 61.300 -0.005 0.000 1.237 332 I CB 1.141 39.140 38.000 -0.003 0.000 1.418 332 I HN 0.274 nan 8.210 nan 0.000 0.481 333 V N 7.504 127.416 119.914 -0.003 0.000 2.461 333 V HA 0.272 4.393 4.120 0.003 0.000 0.275 333 V C 1.182 177.276 176.094 0.000 0.000 1.047 333 V CA -0.342 61.957 62.300 -0.002 0.000 0.955 333 V CB 1.162 32.986 31.823 0.001 0.000 0.988 333 V HN 0.744 nan 8.190 nan 0.000 0.471 334 R N 2.078 122.575 120.500 -0.004 0.000 2.105 334 R HA 0.105 4.447 4.340 0.003 0.000 0.214 334 R C 1.043 177.340 176.300 -0.006 0.000 1.091 334 R CA 0.424 56.520 56.100 -0.006 0.000 1.007 334 R CB 0.087 30.379 30.300 -0.013 0.000 0.912 334 R HN 0.576 nan 8.270 nan 0.000 0.450 335 S N 1.535 117.232 115.700 -0.005 0.000 2.430 335 S HA 0.154 4.626 4.470 0.003 0.000 0.289 335 S C 1.378 175.983 174.600 0.009 0.000 1.143 335 S CA -0.620 57.579 58.200 -0.002 0.000 1.067 335 S CB 0.547 63.742 63.200 -0.007 0.000 0.964 335 S HN 0.092 nan 8.310 nan 0.000 0.485 336 L N 6.213 127.448 121.223 0.019 0.000 2.013 336 L HA -0.008 4.333 4.340 0.003 0.000 0.212 336 L C -0.741 176.149 176.870 0.033 0.000 1.073 336 L CA 2.004 56.864 54.840 0.033 0.000 0.753 336 L CB -2.777 39.310 42.059 0.047 0.000 0.890 336 L HN 0.522 nan 8.230 nan 0.000 0.432 337 P HA -0.017 nan 4.420 nan 0.000 0.239 337 P C 1.575 178.882 177.300 0.012 0.000 1.184 337 P CA 0.689 63.804 63.100 0.026 0.000 0.760 337 P CB 0.120 31.832 31.700 0.020 0.000 0.884 338 S N -0.808 114.896 115.700 0.008 0.000 2.446 338 S HA -0.073 4.399 4.470 0.003 0.000 0.225 338 S C 1.896 176.493 174.600 -0.006 0.000 1.016 338 S CA 0.971 59.169 58.200 -0.004 0.000 0.943 338 S CB -0.988 62.209 63.200 -0.006 0.000 0.786 338 S HN 0.131 nan 8.310 nan 0.000 0.508 339 V N 1.124 121.043 119.914 0.008 0.000 2.380 339 V HA -0.209 3.913 4.120 0.003 0.000 0.251 339 V C 2.152 178.248 176.094 0.004 0.000 1.063 339 V CA 2.047 64.354 62.300 0.012 0.000 1.055 339 V CB -0.741 31.103 31.823 0.034 0.000 0.657 339 V HN 0.450 nan 8.190 nan 0.000 0.455 340 E N 0.693 120.895 120.200 0.002 0.000 2.006 340 E HA -0.252 4.100 4.350 0.003 0.000 0.192 340 E C 2.357 178.889 176.600 -0.114 0.000 0.993 340 E CA 1.924 58.294 56.400 -0.050 0.000 0.808 340 E CB -0.551 29.122 29.700 -0.045 0.000 0.764 340 E HN 0.593 nan 8.360 nan 0.000 0.449 341 T N 0.844 115.346 114.554 -0.086 0.000 2.802 341 T HA -0.191 4.161 4.350 0.003 0.000 0.269 341 T C 1.902 176.561 174.700 -0.069 0.000 1.062 341 T CA 1.296 63.347 62.100 -0.082 0.000 1.133 341 T CB -0.273 68.565 68.868 -0.050 0.000 0.852 341 T HN 0.121 nan 8.240 nan 0.000 0.485 342 L N 0.879 122.070 121.223 -0.053 0.000 2.056 342 L HA 0.222 4.563 4.340 0.003 0.000 0.207 342 L C 2.655 179.494 176.870 -0.052 0.000 1.078 342 L CA 2.172 56.985 54.840 -0.045 0.000 0.749 342 L CB -1.247 40.792 42.059 -0.033 0.000 0.901 342 L HN 0.328 nan 8.230 nan 0.000 0.433 343 G N -1.524 107.240 108.800 -0.060 0.000 2.462 343 G HA2 -0.258 3.704 3.960 0.003 0.000 0.220 343 G HA3 -0.258 3.704 3.960 0.003 0.000 0.220 343 G C 1.338 176.192 174.900 -0.077 0.000 1.121 343 G CA 1.049 46.114 45.100 -0.059 0.000 0.758 343 G HN 0.552 nan 8.290 nan 0.000 0.559 344 C N 0.995 120.233 119.300 -0.103 0.000 2.697 344 C HA 0.233 4.695 4.460 0.003 0.000 0.267 344 C C 1.373 176.332 174.990 -0.052 0.000 1.278 344 C CA -0.856 58.107 59.018 -0.092 0.000 1.708 344 C CB -1.189 26.479 27.740 -0.120 0.000 1.860 344 C HN 0.277 nan 8.230 nan 0.000 0.589 345 T N 1.680 116.208 114.554 -0.043 0.000 2.718 345 T HA -0.062 4.290 4.350 0.003 0.000 0.265 345 T C 1.204 175.897 174.700 -0.012 0.000 1.014 345 T CA 1.088 63.174 62.100 -0.024 0.000 1.172 345 T CB 0.551 69.403 68.868 -0.027 0.000 1.007 345 T HN 0.631 nan 8.240 nan 0.000 0.500 346 S N 2.903 118.604 115.700 0.002 0.000 2.506 346 S HA 0.246 4.717 4.470 0.003 0.000 0.230 346 S C 0.421 175.037 174.600 0.027 0.000 1.066 346 S CA -0.066 58.142 58.200 0.014 0.000 0.940 346 S CB 0.557 63.769 63.200 0.020 0.000 0.818 346 S HN 0.457 nan 8.310 nan 0.000 0.518 347 V N 2.089 122.025 119.914 0.036 0.000 2.709 347 V HA 0.562 4.684 4.120 0.003 0.000 0.308 347 V C -1.069 175.059 176.094 0.057 0.000 1.062 347 V CA -0.727 61.604 62.300 0.052 0.000 0.901 347 V CB 1.860 33.722 31.823 0.066 0.000 1.003 347 V HN 0.345 nan 8.190 nan 0.000 0.425 348 I N 3.272 123.890 120.570 0.079 0.000 2.411 348 I HA 0.361 4.533 4.170 0.003 0.000 0.284 348 I C -0.618 175.577 176.117 0.130 0.000 1.012 348 I CA -0.184 61.179 61.300 0.105 0.000 1.119 348 I CB 1.439 39.525 38.000 0.143 0.000 1.261 348 I HN 0.535 nan 8.210 nan 0.000 0.448 349 C N 4.459 123.821 119.300 0.103 0.000 2.303 349 C HA 0.504 4.965 4.460 0.003 0.000 0.341 349 C C 0.743 175.794 174.990 0.103 0.000 1.244 349 C CA -0.277 58.797 59.018 0.094 0.000 1.765 349 C CB 0.073 27.852 27.740 0.066 0.000 2.379 349 C HN 0.757 nan 8.230 nan 0.000 0.530 350 S N 2.276 118.035 115.700 0.098 0.000 2.513 350 S HA 0.405 4.877 4.470 0.003 0.000 0.299 350 S C -0.805 173.819 174.600 0.040 0.000 1.087 350 S CA -0.541 57.721 58.200 0.104 0.000 1.012 350 S CB 0.732 64.041 63.200 0.182 0.000 1.044 350 S HN 0.754 nan 8.310 nan 0.000 0.485 351 D N 2.613 123.039 120.400 0.045 0.000 2.341 351 D HA 0.159 4.801 4.640 0.003 0.000 0.245 351 D C 0.752 177.054 176.300 0.003 0.000 1.106 351 D CA -0.213 53.802 54.000 0.024 0.000 0.905 351 D CB 1.317 42.133 40.800 0.027 0.000 1.202 351 D HN 0.546 nan 8.370 nan 0.000 0.426 352 K N 0.641 121.034 120.400 -0.010 0.000 1.991 352 K HA -0.035 4.287 4.320 0.003 0.000 0.208 352 K C 0.204 176.797 176.600 -0.012 0.000 1.038 352 K CA 0.553 56.821 56.287 -0.031 0.000 0.943 352 K CB -0.166 32.316 32.500 -0.031 0.000 0.736 352 K HN 0.320 nan 8.250 nan 0.000 0.440 353 T N 1.004 115.558 114.554 0.000 0.000 2.704 353 T HA 0.089 4.441 4.350 0.003 0.000 0.271 353 T C 0.754 175.462 174.700 0.015 0.000 1.000 353 T CA 0.923 63.027 62.100 0.007 0.000 1.216 353 T CB 0.037 68.911 68.868 0.010 0.000 0.961 353 T HN 0.674 nan 8.240 nan 0.000 0.515 354 G N 3.323 112.133 108.800 0.017 0.000 2.225 354 G HA2 -0.319 3.643 3.960 0.003 0.000 0.254 354 G HA3 -0.319 3.643 3.960 0.003 0.000 0.254 354 G C 0.934 175.855 174.900 0.035 0.000 0.988 354 G CA 0.572 45.687 45.100 0.025 0.000 0.625 354 G HN 0.693 nan 8.290 nan 0.000 0.527 355 T N -0.456 114.122 114.554 0.040 0.000 3.056 355 T HA 0.316 4.668 4.350 0.003 0.000 0.243 355 T C 1.927 176.679 174.700 0.086 0.000 0.995 355 T CA 1.180 63.327 62.100 0.077 0.000 1.091 355 T CB 0.089 69.013 68.868 0.093 0.000 0.990 355 T HN 0.093 nan 8.240 nan 0.000 0.464 356 L N 1.564 122.790 121.223 0.006 0.000 2.408 356 L HA 0.319 4.661 4.340 0.003 0.000 0.215 356 L C 1.364 178.212 176.870 -0.037 0.000 1.081 356 L CA 0.793 55.591 54.840 -0.071 0.000 0.840 356 L CB -0.263 41.689 42.059 -0.178 0.000 1.002 356 L HN 0.362 nan 8.230 nan 0.000 0.468 357 T N -5.304 109.240 114.554 -0.018 0.000 2.940 357 T HA 0.370 4.722 4.350 0.003 0.000 0.288 357 T C 1.152 175.853 174.700 0.001 0.000 1.045 357 T CA 0.163 62.255 62.100 -0.014 0.000 1.018 357 T CB 1.443 70.301 68.868 -0.017 0.000 1.151 357 T HN 0.121 nan 8.240 nan 0.000 0.529 358 T N -1.742 112.809 114.554 -0.005 0.000 3.014 358 T HA 0.119 4.470 4.350 0.003 0.000 0.263 358 T C 1.088 175.793 174.700 0.009 0.000 1.078 358 T CA 0.905 63.004 62.100 -0.001 0.000 1.135 358 T CB -0.826 68.031 68.868 -0.019 0.000 0.895 358 T HN 0.979 nan 8.240 nan 0.000 0.480 359 N N 0.339 119.043 118.700 0.007 0.000 2.882 359 N HA -0.145 4.597 4.740 0.003 0.000 0.249 359 N C -1.097 174.443 175.510 0.049 0.000 1.079 359 N CA 0.154 53.222 53.050 0.029 0.000 0.800 359 N CB -0.617 37.894 38.487 0.040 0.000 1.124 359 N HN 0.405 nan 8.380 nan 0.000 0.557 360 Q N 1.156 120.945 119.800 -0.019 0.000 2.563 360 Q HA 0.236 4.578 4.340 0.003 0.000 0.232 360 Q C -0.186 175.691 176.000 -0.205 0.000 1.106 360 Q CA -0.156 55.563 55.803 -0.139 0.000 0.913 360 Q CB 1.058 29.670 28.738 -0.209 0.000 1.175 360 Q HN 0.335 nan 8.270 nan 0.000 0.540 361 M N 1.811 121.371 119.600 -0.067 0.000 2.252 361 M HA 0.087 4.569 4.480 0.003 0.000 0.333 361 M C 0.030 176.270 176.300 -0.101 0.000 1.111 361 M CA 0.537 55.826 55.300 -0.018 0.000 1.140 361 M CB 0.727 33.404 32.600 0.127 0.000 1.538 361 M HN 0.490 nan 8.290 nan 0.000 0.448 362 S N 2.812 118.473 115.700 -0.065 0.000 2.543 362 S HA 0.645 5.117 4.470 0.003 0.000 0.273 362 S C -1.428 173.144 174.600 -0.047 0.000 1.152 362 S CA -1.103 57.054 58.200 -0.071 0.000 0.910 362 S CB 0.945 64.070 63.200 -0.125 0.000 1.105 362 S HN 0.429 nan 8.310 nan 0.000 0.465 363 V N 3.471 123.363 119.914 -0.037 0.000 2.461 363 V HA 0.295 4.417 4.120 0.003 0.000 0.275 363 V C 1.017 177.067 176.094 -0.074 0.000 1.047 363 V CA -0.360 61.914 62.300 -0.043 0.000 0.955 363 V CB 0.483 32.288 31.823 -0.030 0.000 0.988 363 V HN 1.197 nan 8.190 nan 0.000 0.471 364 C N 2.527 121.759 119.300 -0.113 0.000 3.491 364 C HA 0.524 4.986 4.460 0.003 0.000 0.298 364 C C 0.487 175.359 174.990 -0.196 0.000 1.424 364 C CA -0.840 58.094 59.018 -0.140 0.000 1.772 364 C CB -1.199 26.449 27.740 -0.152 0.000 2.447 364 C HN 0.802 nan 8.230 nan 0.000 0.670 365 K N 1.309 121.562 120.400 -0.245 0.000 2.556 365 K HA 0.772 5.094 4.320 0.003 0.000 0.274 365 K C -1.211 175.391 176.600 0.005 0.000 0.966 365 K CA -0.337 55.756 56.287 -0.323 0.000 0.865 365 K CB 2.330 34.118 32.500 -1.187 0.000 1.444 365 K HN 0.439 nan 8.250 nan 0.000 0.433 366 M N 0.303 120.130 119.600 0.378 0.000 2.484 366 M HA 0.519 5.001 4.480 0.003 0.000 0.292 366 M C -1.821 174.829 176.300 0.583 0.000 1.123 366 M CA -0.995 54.570 55.300 0.442 0.000 0.910 366 M CB 1.252 33.905 32.600 0.089 0.000 1.782 366 M HN 0.535 nan 8.290 nan 0.000 0.512 367 F N 2.297 122.453 119.950 0.344 0.000 2.599 367 F HA 0.973 5.501 4.527 0.003 0.000 0.311 367 F C -1.303 174.600 175.800 0.170 0.000 1.076 367 F CA -1.047 57.119 58.000 0.278 0.000 0.937 367 F CB 1.354 40.473 39.000 0.199 0.000 1.282 367 F HN 0.803 nan 8.300 nan 0.000 0.460 368 I N 0.161 120.969 120.570 0.395 0.000 3.206 368 I HA 0.596 4.768 4.170 0.003 0.000 0.313 368 I C -0.996 175.378 176.117 0.428 0.000 1.103 368 I CA -1.383 60.065 61.300 0.248 0.000 0.985 368 I CB 2.122 40.192 38.000 0.117 0.000 1.240 368 I HN 0.469 nan 8.210 nan 0.000 0.464 369 I N 2.060 122.844 120.570 0.358 0.000 2.371 369 I HA 0.095 4.266 4.170 0.003 0.000 0.290 369 I C 0.493 176.757 176.117 0.246 0.000 1.028 369 I CA 0.458 61.951 61.300 0.322 0.000 1.345 369 I CB 0.840 39.022 38.000 0.303 0.000 1.407 369 I HN 0.811 nan 8.210 nan 0.000 0.501 370 D N 4.937 125.467 120.400 0.217 0.000 2.162 370 D HA -0.050 4.592 4.640 0.003 0.000 0.205 370 D C 0.067 176.459 176.300 0.152 0.000 0.964 370 D CA 1.322 55.439 54.000 0.196 0.000 0.847 370 D CB 0.503 41.403 40.800 0.166 0.000 0.988 370 D HN 0.646 nan 8.370 nan 0.000 0.480 371 K N -1.751 118.729 120.400 0.133 0.000 2.653 371 K HA 0.452 4.774 4.320 0.003 0.000 0.274 371 K C -2.042 174.624 176.600 0.111 0.000 0.974 371 K CA -0.860 55.494 56.287 0.112 0.000 0.868 371 K CB 1.279 33.834 32.500 0.091 0.000 1.408 371 K HN -0.206 nan 8.250 nan 0.000 0.397 372 V N 1.563 121.540 119.914 0.106 0.000 2.531 372 V HA 0.588 4.710 4.120 0.003 0.000 0.301 372 V C -1.447 174.709 176.094 0.104 0.000 1.034 372 V CA -0.301 62.061 62.300 0.103 0.000 0.865 372 V CB 1.719 33.597 31.823 0.093 0.000 0.995 372 V HN 0.916 nan 8.190 nan 0.000 0.424 373 D N 3.324 123.802 120.400 0.130 0.000 2.323 373 D HA 0.563 5.205 4.640 0.003 0.000 0.242 373 D C 0.522 176.916 176.300 0.157 0.000 1.347 373 D CA 1.100 55.184 54.000 0.141 0.000 0.988 373 D CB 1.225 42.119 40.800 0.157 0.000 1.314 373 D HN 0.899 nan 8.370 nan 0.000 0.564 374 G N 3.718 112.564 108.800 0.076 0.000 2.591 374 G HA2 -0.347 3.615 3.960 0.003 0.000 0.298 374 G HA3 -0.347 3.615 3.960 0.003 0.000 0.298 374 G C 0.718 175.578 174.900 -0.067 0.000 1.195 374 G CA 0.430 45.535 45.100 0.009 0.000 0.989 374 G HN 0.529 nan 8.290 nan 0.000 0.551 375 D N 0.630 120.893 120.400 -0.229 0.000 2.355 375 D HA 0.169 4.810 4.640 0.003 0.000 0.218 375 D C 0.733 176.825 176.300 -0.347 0.000 1.004 375 D CA 0.494 54.303 54.000 -0.318 0.000 0.880 375 D CB 0.015 40.561 40.800 -0.423 0.000 0.911 375 D HN 0.139 nan 8.370 nan 0.000 0.528 376 F N 0.682 120.632 119.950 -0.000 0.000 2.384 376 F HA 0.269 4.798 4.527 0.003 0.000 0.338 376 F C 0.676 176.479 175.800 0.004 0.000 1.103 376 F CA -0.941 57.059 58.000 0.000 0.000 1.157 376 F CB 1.161 40.164 39.000 0.004 0.000 1.167 376 F HN -0.186 nan 8.300 nan 0.000 0.529 377 C N 2.906 122.326 119.300 0.200 0.000 2.931 377 C HA 0.706 5.168 4.460 0.003 0.000 0.370 377 C C -0.968 174.071 174.990 0.081 0.000 1.071 377 C CA -0.501 58.584 59.018 0.111 0.000 1.266 377 C CB 0.350 28.122 27.740 0.054 0.000 1.691 377 C HN 0.988 nan 8.230 nan 0.000 0.511 378 S N 6.356 122.102 115.700 0.077 0.000 2.526 378 S HA 0.859 5.331 4.470 0.003 0.000 0.293 378 S C -0.988 173.656 174.600 0.073 0.000 1.092 378 S CA -0.673 57.561 58.200 0.056 0.000 0.980 378 S CB 1.176 64.410 63.200 0.057 0.000 1.048 378 S HN 0.865 nan 8.310 nan 0.000 0.483 379 L N 1.757 123.004 121.223 0.040 0.000 2.335 379 L HA 0.612 4.954 4.340 0.003 0.000 0.268 379 L C -0.051 176.888 176.870 0.115 0.000 1.016 379 L CA -1.048 53.846 54.840 0.090 0.000 0.805 379 L CB 1.034 43.048 42.059 -0.074 0.000 1.311 379 L HN 0.714 nan 8.230 nan 0.000 0.456 380 N N 0.445 119.281 118.700 0.226 0.000 2.918 380 N HA 0.118 4.860 4.740 0.003 0.000 0.270 380 N C -0.742 174.919 175.510 0.253 0.000 1.536 380 N CA -0.250 52.908 53.050 0.180 0.000 0.877 380 N CB 0.564 39.228 38.487 0.296 0.000 1.190 380 N HN 0.488 nan 8.380 nan 0.000 0.492 381 E N 1.034 121.318 120.200 0.140 0.000 2.414 381 E HA 0.111 4.463 4.350 0.003 0.000 0.263 381 E C -0.735 175.902 176.600 0.061 0.000 1.000 381 E CA 0.400 56.973 56.400 0.288 0.000 0.914 381 E CB 0.482 30.305 29.700 0.204 0.000 0.948 381 E HN 0.216 nan 8.360 nan 0.000 0.444 382 F N 0.754 120.802 119.950 0.163 0.000 2.764 382 F HA 0.518 5.046 4.527 0.003 0.000 0.347 382 F C 0.033 175.837 175.800 0.007 0.000 1.151 382 F CA -0.700 57.319 58.000 0.031 0.000 1.021 382 F CB 2.047 41.022 39.000 -0.041 0.000 1.438 382 F HN 0.269 nan 8.300 nan 0.000 0.516 383 S N 1.056 116.865 115.700 0.182 0.000 2.564 383 S HA 0.805 5.277 4.470 0.003 0.000 0.274 383 S C -1.774 172.845 174.600 0.032 0.000 1.124 383 S CA -0.590 57.631 58.200 0.034 0.000 0.869 383 S CB 2.092 65.284 63.200 -0.014 0.000 1.105 383 S HN 0.313 nan 8.310 nan 0.000 0.472 384 I N 2.219 122.775 120.570 -0.024 0.000 2.569 384 I HA 0.414 4.586 4.170 0.003 0.000 0.290 384 I C 0.168 176.258 176.117 -0.046 0.000 1.088 384 I CA -0.624 60.658 61.300 -0.031 0.000 1.047 384 I CB 1.361 39.333 38.000 -0.047 0.000 1.237 384 I HN 0.733 nan 8.210 nan 0.000 0.421 385 T N 0.284 114.815 114.554 -0.039 0.000 2.943 385 T HA 0.838 5.190 4.350 0.003 0.000 0.284 385 T C 0.254 174.924 174.700 -0.050 0.000 1.015 385 T CA -0.488 61.586 62.100 -0.044 0.000 1.042 385 T CB 1.920 70.768 68.868 -0.033 0.000 1.055 385 T HN 1.471 nan 8.240 nan 0.000 0.500 386 G N 0.749 109.516 108.800 -0.054 0.000 3.199 386 G HA2 0.139 4.101 3.960 0.003 0.000 0.680 386 G HA3 0.139 4.101 3.960 0.003 0.000 0.680 386 G C 0.192 175.043 174.900 -0.080 0.000 1.197 386 G CA -0.100 44.964 45.100 -0.061 0.000 1.143 386 G HN 1.590 nan 8.290 nan 0.000 0.492 387 S N 0.316 115.965 115.700 -0.086 0.000 2.577 387 S HA 0.475 4.946 4.470 0.003 0.000 0.219 387 S C 1.046 175.541 174.600 -0.174 0.000 0.962 387 S CA 1.069 59.199 58.200 -0.117 0.000 0.921 387 S CB 0.786 63.929 63.200 -0.096 0.000 0.789 387 S HN 1.390 nan 8.310 nan 0.000 0.497 388 T N -0.684 113.779 114.554 -0.153 0.000 2.922 388 T HA 0.490 4.842 4.350 0.003 0.000 0.281 388 T C 0.171 174.748 174.700 -0.205 0.000 1.005 388 T CA -0.534 61.452 62.100 -0.190 0.000 0.982 388 T CB 0.570 69.408 68.868 -0.050 0.000 1.158 388 T HN 0.157 nan 8.240 nan 0.000 0.566 389 Y N 0.909 121.212 120.300 0.004 0.000 2.519 389 Y HA 0.433 4.984 4.550 0.003 0.000 0.287 389 Y C 1.753 177.598 175.900 -0.091 0.000 1.128 389 Y CA 0.053 58.146 58.100 -0.012 0.000 1.282 389 Y CB -0.816 37.668 38.460 0.039 0.000 1.027 389 Y HN 0.678 nan 8.280 nan 0.000 0.551 390 A N 2.607 125.430 122.820 0.005 0.000 2.587 390 A HA -0.009 4.313 4.320 0.003 0.000 0.235 390 A C -1.100 176.266 177.584 -0.364 0.000 1.044 390 A CA -0.664 51.156 52.037 -0.362 0.000 0.754 390 A CB -0.149 18.778 19.000 -0.122 0.000 0.968 390 A HN 0.182 nan 8.150 nan 0.000 0.509 391 P HA -0.081 nan 4.420 nan 0.000 0.234 391 P C -0.024 177.162 177.300 -0.190 0.000 1.167 391 P CA 0.626 63.551 63.100 -0.293 0.000 0.763 391 P CB -0.017 31.508 31.700 -0.293 0.000 0.835 392 E N 0.646 120.731 120.200 -0.192 0.000 2.328 392 E HA 0.404 4.756 4.350 0.003 0.000 0.265 392 E C 0.915 177.472 176.600 -0.071 0.000 1.057 392 E CA 0.247 56.590 56.400 -0.096 0.000 0.916 392 E CB -0.004 29.663 29.700 -0.055 0.000 0.993 392 E HN 0.222 nan 8.360 nan 0.000 0.446 393 G N 2.693 111.461 108.800 -0.054 0.000 2.327 393 G HA2 0.298 4.259 3.960 0.003 0.000 0.291 393 G HA3 0.298 4.259 3.960 0.003 0.000 0.291 393 G C -1.643 173.236 174.900 -0.034 0.000 1.290 393 G CA -0.808 44.266 45.100 -0.044 0.000 0.857 393 G HN 0.503 nan 8.290 nan 0.000 0.520 394 E N -1.744 118.440 120.200 -0.027 0.000 2.407 394 E HA 0.623 4.974 4.350 0.003 0.000 0.279 394 E C -1.406 175.191 176.600 -0.005 0.000 1.012 394 E CA -1.065 55.326 56.400 -0.015 0.000 0.800 394 E CB 1.973 31.671 29.700 -0.004 0.000 1.276 394 E HN 0.534 nan 8.360 nan 0.000 0.452 395 V N 1.523 121.442 119.914 0.009 0.000 2.716 395 V HA 0.618 4.740 4.120 0.003 0.000 0.304 395 V C -0.051 176.097 176.094 0.090 0.000 1.053 395 V CA -0.488 61.838 62.300 0.043 0.000 0.984 395 V CB 0.844 32.679 31.823 0.020 0.000 1.021 395 V HN 0.591 nan 8.190 nan 0.000 0.467 396 L N 1.475 122.780 121.223 0.137 0.000 2.518 396 L HA 0.707 5.049 4.340 0.003 0.000 0.257 396 L C -0.923 175.971 176.870 0.040 0.000 0.980 396 L CA -0.886 54.008 54.840 0.091 0.000 0.837 396 L CB 2.030 44.108 42.059 0.032 0.000 1.410 396 L HN 0.518 nan 8.230 nan 0.000 0.410 397 K N 0.730 121.076 120.400 -0.090 0.000 2.318 397 K HA 0.470 4.792 4.320 0.003 0.000 0.249 397 K C -0.086 176.425 176.600 -0.148 0.000 0.942 397 K CA -0.574 55.533 56.287 -0.301 0.000 0.808 397 K CB 1.561 33.748 32.500 -0.520 0.000 1.189 397 K HN 0.781 nan 8.250 nan 0.000 0.428 398 N N 2.817 121.434 118.700 -0.139 0.000 2.678 398 N HA -0.279 4.462 4.740 0.003 0.000 0.249 398 N C -0.639 174.843 175.510 -0.047 0.000 1.119 398 N CA 1.047 54.052 53.050 -0.075 0.000 0.718 398 N CB -0.536 37.913 38.487 -0.063 0.000 1.060 398 N HN 0.927 nan 8.380 nan 0.000 0.552 399 D N -1.973 118.400 120.400 -0.044 0.000 2.911 399 D HA -0.200 4.441 4.640 0.003 0.000 0.199 399 D C 0.001 176.292 176.300 -0.014 0.000 1.041 399 D CA 1.442 55.427 54.000 -0.025 0.000 1.013 399 D CB -0.527 40.260 40.800 -0.022 0.000 1.093 399 D HN 0.595 nan 8.370 nan 0.000 0.431 400 K N 1.322 121.713 120.400 -0.015 0.000 2.159 400 K HA 0.407 4.729 4.320 0.003 0.000 0.266 400 K C -2.530 174.080 176.600 0.016 0.000 0.975 400 K CA -1.506 54.782 56.287 0.001 0.000 0.865 400 K CB 1.849 34.350 32.500 0.002 0.000 1.087 400 K HN -0.129 nan 8.250 nan 0.000 0.446 401 P HA 0.041 nan 4.420 nan 0.000 0.271 401 P C -0.599 176.746 177.300 0.076 0.000 1.216 401 P CA -0.208 62.921 63.100 0.049 0.000 0.776 401 P CB 0.613 32.334 31.700 0.035 0.000 0.881 402 I N 0.138 120.779 120.570 0.118 0.000 3.457 402 I HA 0.613 4.784 4.170 0.003 0.000 0.307 402 I C -0.813 175.402 176.117 0.164 0.000 1.138 402 I CA -1.938 59.467 61.300 0.175 0.000 0.974 402 I CB 1.674 39.855 38.000 0.301 0.000 1.324 402 I HN 0.280 nan 8.210 nan 0.000 0.485 403 R N 1.024 121.646 120.500 0.202 0.000 2.288 403 R HA 0.435 4.777 4.340 0.003 0.000 0.326 403 R C 0.304 176.721 176.300 0.194 0.000 0.959 403 R CA -0.177 56.008 56.100 0.141 0.000 0.834 403 R CB 1.331 31.690 30.300 0.099 0.000 1.157 403 R HN 0.835 nan 8.270 nan 0.000 0.470 404 S N 2.509 118.255 115.700 0.077 0.000 2.420 404 S HA -0.160 4.312 4.470 0.003 0.000 0.237 404 S C 1.754 176.385 174.600 0.052 0.000 1.023 404 S CA 1.552 59.751 58.200 -0.002 0.000 0.991 404 S CB -0.014 63.093 63.200 -0.155 0.000 0.792 404 S HN 0.885 nan 8.310 nan 0.000 0.488 405 G N 1.033 109.842 108.800 0.015 0.000 2.432 405 G HA2 -0.218 3.744 3.960 0.003 0.000 0.219 405 G HA3 -0.218 3.744 3.960 0.003 0.000 0.219 405 G C 1.199 176.119 174.900 0.032 0.000 1.135 405 G CA 0.435 45.521 45.100 -0.023 0.000 0.767 405 G HN 0.513 nan 8.290 nan 0.000 0.550 406 Q N -0.818 119.031 119.800 0.080 0.000 2.500 406 Q HA 0.070 4.412 4.340 0.003 0.000 0.213 406 Q C -0.468 175.390 176.000 -0.236 0.000 0.974 406 Q CA 0.255 56.018 55.803 -0.067 0.000 0.918 406 Q CB 0.010 28.679 28.738 -0.115 0.000 0.980 406 Q HN 0.489 nan 8.270 nan 0.000 0.505 407 F N -0.083 119.871 119.950 0.006 0.000 2.460 407 F HA 0.198 4.726 4.527 0.003 0.000 0.341 407 F C 0.600 176.376 175.800 -0.040 0.000 1.130 407 F CA -1.116 56.894 58.000 0.017 0.000 0.962 407 F CB 1.429 40.466 39.000 0.062 0.000 1.171 407 F HN -0.166 nan 8.300 nan 0.000 0.436 408 D N 2.511 122.973 120.400 0.104 0.000 2.097 408 D HA -0.136 4.506 4.640 0.003 0.000 0.195 408 D C 2.309 178.624 176.300 0.025 0.000 0.989 408 D CA 1.616 55.641 54.000 0.042 0.000 0.827 408 D CB -0.304 40.518 40.800 0.037 0.000 0.966 408 D HN 0.803 nan 8.370 nan 0.000 0.456 409 G N 1.165 110.003 108.800 0.064 0.000 2.507 409 G HA2 -0.245 3.717 3.960 0.003 0.000 0.221 409 G HA3 -0.245 3.717 3.960 0.003 0.000 0.221 409 G C 1.739 176.597 174.900 -0.071 0.000 1.119 409 G CA 0.407 45.514 45.100 0.012 0.000 0.751 409 G HN 0.269 nan 8.290 nan 0.000 0.574 410 L N 0.073 121.251 121.223 -0.076 0.000 2.313 410 L HA 0.013 4.354 4.340 0.003 0.000 0.214 410 L C 2.820 179.559 176.870 -0.219 0.000 1.119 410 L CA 0.021 54.738 54.840 -0.206 0.000 0.809 410 L CB -0.114 41.767 42.059 -0.297 0.000 0.933 410 L HN 0.119 nan 8.230 nan 0.000 0.449 411 V N -0.104 119.697 119.914 -0.188 0.000 2.323 411 V HA -0.246 3.876 4.120 0.003 0.000 0.244 411 V C 2.416 178.376 176.094 -0.223 0.000 1.041 411 V CA 1.804 63.936 62.300 -0.281 0.000 1.025 411 V CB -0.231 31.434 31.823 -0.263 0.000 0.656 411 V HN 0.471 nan 8.190 nan 0.000 0.451 412 E N 0.001 120.111 120.200 -0.150 0.000 2.047 412 E HA -0.211 4.141 4.350 0.003 0.000 0.191 412 E C 2.310 178.784 176.600 -0.210 0.000 0.987 412 E CA 1.087 57.398 56.400 -0.148 0.000 0.799 412 E CB -0.148 29.508 29.700 -0.074 0.000 0.752 412 E HN 0.373 nan 8.360 nan 0.000 0.449 413 L N 1.202 122.304 121.223 -0.201 0.000 2.021 413 L HA -0.210 4.132 4.340 0.003 0.000 0.215 413 L C 2.254 178.989 176.870 -0.225 0.000 1.074 413 L CA 2.562 57.269 54.840 -0.223 0.000 0.760 413 L CB -1.431 40.486 42.059 -0.236 0.000 0.889 413 L HN 0.241 nan 8.230 nan 0.000 0.433 414 A N -1.632 121.048 122.820 -0.233 0.000 2.066 414 A HA -0.104 4.218 4.320 0.003 0.000 0.218 414 A C 2.122 179.572 177.584 -0.223 0.000 1.157 414 A CA 1.578 53.484 52.037 -0.219 0.000 0.670 414 A CB -0.707 18.150 19.000 -0.239 0.000 0.804 414 A HN 0.549 nan 8.150 nan 0.000 0.453 415 T N 0.393 114.785 114.554 -0.270 0.000 2.812 415 T HA -0.044 4.308 4.350 0.003 0.000 0.264 415 T C 1.798 176.207 174.700 -0.485 0.000 1.042 415 T CA 1.365 63.258 62.100 -0.344 0.000 1.140 415 T CB -0.344 68.280 68.868 -0.407 0.000 0.870 415 T HN 0.428 nan 8.240 nan 0.000 0.445 416 I N 0.950 121.228 120.570 -0.487 0.000 2.142 416 I HA -0.203 3.969 4.170 0.003 0.000 0.240 416 I C 2.601 178.593 176.117 -0.207 0.000 1.078 416 I CA 0.961 62.028 61.300 -0.388 0.000 1.343 416 I CB -0.538 37.333 38.000 -0.215 0.000 1.046 416 I HN 0.304 nan 8.210 nan 0.000 0.405 417 C N 0.749 119.948 119.300 -0.169 0.000 2.410 417 C HA -0.130 4.332 4.460 0.003 0.000 0.281 417 C C 3.021 177.956 174.990 -0.093 0.000 1.318 417 C CA 1.009 59.962 59.018 -0.108 0.000 1.776 417 C CB -1.356 26.321 27.740 -0.105 0.000 1.942 417 C HN 0.610 nan 8.230 nan 0.000 0.508 418 A N -0.111 122.636 122.820 -0.122 0.000 1.887 418 A HA 0.150 4.472 4.320 0.003 0.000 0.212 418 A C 2.046 179.586 177.584 -0.072 0.000 1.198 418 A CA 0.745 52.730 52.037 -0.086 0.000 0.628 418 A CB -0.428 18.522 19.000 -0.083 0.000 0.847 418 A HN 0.500 nan 8.150 nan 0.000 0.449 419 L N -0.847 120.306 121.223 -0.115 0.000 2.072 419 L HA -0.101 4.241 4.340 0.003 0.000 0.205 419 L C 1.599 178.471 176.870 0.004 0.000 1.079 419 L CA 0.597 55.404 54.840 -0.054 0.000 0.752 419 L CB -0.431 41.580 42.059 -0.081 0.000 0.906 419 L HN 0.462 nan 8.230 nan 0.000 0.436 420 C N 2.537 121.837 119.300 -0.001 0.000 3.025 420 C HA 0.285 4.747 4.460 0.003 0.000 0.547 420 C C 0.209 175.214 174.990 0.026 0.000 1.058 420 C CA -0.393 58.651 59.018 0.043 0.000 1.164 420 C CB -2.374 25.405 27.740 0.064 0.000 1.405 420 C HN 0.378 nan 8.230 nan 0.000 0.610 421 N N 1.382 120.095 118.700 0.022 0.000 2.446 421 N HA 0.243 4.985 4.740 0.003 0.000 0.272 421 N C -0.978 174.543 175.510 0.018 0.000 1.127 421 N CA -0.233 52.825 53.050 0.013 0.000 0.896 421 N CB 1.759 40.242 38.487 -0.007 0.000 1.658 421 N HN 0.384 nan 8.380 nan 0.000 0.483 422 D N 0.464 120.874 120.400 0.016 0.000 2.501 422 D HA 0.263 4.905 4.640 0.003 0.000 0.224 422 D C -0.461 175.840 176.300 0.001 0.000 1.202 422 D CA 0.252 54.263 54.000 0.017 0.000 0.829 422 D CB 0.639 41.457 40.800 0.030 0.000 1.023 422 D HN 0.331 nan 8.370 nan 0.000 0.499 423 S N -0.550 115.143 115.700 -0.012 0.000 2.709 423 S HA 0.774 5.246 4.470 0.003 0.000 0.302 423 S C 0.046 174.628 174.600 -0.029 0.000 1.127 423 S CA -0.639 57.543 58.200 -0.029 0.000 0.905 423 S CB 2.461 65.630 63.200 -0.052 0.000 1.151 423 S HN 0.181 nan 8.310 nan 0.000 0.510 424 S N -0.312 115.364 115.700 -0.040 0.000 2.843 424 S HA 0.794 5.266 4.470 0.003 0.000 0.301 424 S C -1.646 172.933 174.600 -0.034 0.000 1.206 424 S CA -0.856 57.329 58.200 -0.025 0.000 0.875 424 S CB 0.278 63.477 63.200 -0.003 0.000 1.248 424 S HN 0.528 nan 8.310 nan 0.000 0.555 425 L N 0.593 121.823 121.223 0.012 0.000 2.323 425 L HA 0.796 5.137 4.340 0.003 0.000 0.265 425 L C -1.608 175.317 176.870 0.091 0.000 1.012 425 L CA -0.573 54.300 54.840 0.055 0.000 0.820 425 L CB 2.004 44.136 42.059 0.122 0.000 1.334 425 L HN 0.927 nan 8.230 nan 0.000 0.427 426 D N 0.329 120.802 120.400 0.121 0.000 2.891 426 D HA 0.241 4.883 4.640 0.003 0.000 0.224 426 D C -1.557 174.802 176.300 0.098 0.000 1.321 426 D CA -0.351 53.708 54.000 0.098 0.000 0.929 426 D CB 1.330 42.148 40.800 0.030 0.000 1.551 426 D HN 0.191 nan 8.370 nan 0.000 0.574 427 F N 4.194 124.094 119.950 -0.084 0.000 2.421 427 F HA 0.378 4.907 4.527 0.003 0.000 0.358 427 F C 0.174 175.879 175.800 -0.159 0.000 1.115 427 F CA -0.626 57.217 58.000 -0.263 0.000 1.160 427 F CB 0.573 39.304 39.000 -0.447 0.000 1.123 427 F HN 0.278 nan 8.300 nan 0.000 0.508 428 N N 5.906 124.163 118.700 -0.739 0.000 2.401 428 N HA -0.008 4.733 4.740 0.003 0.000 0.255 428 N C 0.967 176.090 175.510 -0.646 0.000 1.110 428 N CA 0.053 52.796 53.050 -0.512 0.000 0.949 428 N CB 0.679 38.957 38.487 -0.349 0.000 1.110 428 N HN 0.679 nan 8.380 nan 0.000 0.490 429 E N 2.355 122.373 120.200 -0.304 0.000 2.049 429 E HA -0.170 4.182 4.350 0.003 0.000 0.198 429 E C 1.192 177.698 176.600 -0.157 0.000 1.007 429 E CA 1.588 57.899 56.400 -0.148 0.000 0.809 429 E CB -0.435 29.245 29.700 -0.034 0.000 0.749 429 E HN 0.637 nan 8.360 nan 0.000 0.450 430 T N 2.022 116.490 114.554 -0.143 0.000 2.520 430 T HA -0.172 4.180 4.350 0.003 0.000 0.258 430 T C 1.889 176.513 174.700 -0.127 0.000 1.125 430 T CA 1.905 63.943 62.100 -0.105 0.000 1.206 430 T CB -0.315 68.502 68.868 -0.084 0.000 0.864 430 T HN 0.018 nan 8.240 nan 0.000 0.400 431 K N 0.818 121.123 120.400 -0.160 0.000 2.218 431 K HA 0.059 4.381 4.320 0.003 0.000 0.205 431 K C 1.519 178.011 176.600 -0.180 0.000 1.046 431 K CA 0.998 57.198 56.287 -0.146 0.000 0.933 431 K CB -0.824 31.589 32.500 -0.145 0.000 0.728 431 K HN 0.615 nan 8.250 nan 0.000 0.454 432 G N -0.017 108.577 108.800 -0.343 0.000 2.176 432 G HA2 -0.217 3.745 3.960 0.003 0.000 0.252 432 G HA3 -0.217 3.745 3.960 0.003 0.000 0.252 432 G C -0.063 174.649 174.900 -0.313 0.000 1.024 432 G CA 0.305 45.215 45.100 -0.317 0.000 0.755 432 G HN 0.438 nan 8.290 nan 0.000 0.507 433 V N -4.099 115.472 119.914 -0.572 0.000 3.049 433 V HA 0.779 4.901 4.120 0.003 0.000 0.309 433 V C -0.033 175.910 176.094 -0.252 0.000 1.148 433 V CA -2.544 59.656 62.300 -0.166 0.000 0.990 433 V CB 1.282 33.115 31.823 0.016 0.000 1.039 433 V HN 0.372 nan 8.190 nan 0.000 0.430 434 Y N 1.981 122.378 120.300 0.161 0.000 2.605 434 Y HA 0.391 4.943 4.550 0.003 0.000 0.336 434 Y C 1.039 177.002 175.900 0.104 0.000 1.111 434 Y CA 0.279 58.492 58.100 0.190 0.000 1.422 434 Y CB 0.229 38.843 38.460 0.257 0.000 1.193 434 Y HN 0.626 nan 8.280 nan 0.000 0.526 435 E N 3.662 123.942 120.200 0.134 0.000 2.222 435 E HA 0.238 4.590 4.350 0.003 0.000 0.272 435 E C -0.503 176.100 176.600 0.005 0.000 0.982 435 E CA -1.057 55.383 56.400 0.068 0.000 0.842 435 E CB 1.873 31.565 29.700 -0.013 0.000 1.144 435 E HN 0.566 nan 8.360 nan 0.000 0.397 436 K N -0.554 119.772 120.400 -0.123 0.000 2.087 436 K HA 0.470 4.792 4.320 0.003 0.000 0.255 436 K C -0.778 175.725 176.600 -0.162 0.000 0.988 436 K CA -0.650 55.452 56.287 -0.309 0.000 0.915 436 K CB 1.064 33.144 32.500 -0.701 0.000 1.043 436 K HN 0.162 nan 8.250 nan 0.000 0.457 437 V N 1.986 121.812 119.914 -0.147 0.000 2.439 437 V HA 0.518 4.639 4.120 0.003 0.000 0.277 437 V C 0.321 176.367 176.094 -0.080 0.000 1.008 437 V CA 0.203 62.453 62.300 -0.083 0.000 0.846 437 V CB -0.009 31.786 31.823 -0.046 0.000 1.031 437 V HN 1.213 nan 8.190 nan 0.000 0.441 438 G N 4.562 113.318 108.800 -0.074 0.000 2.348 438 G HA2 -0.041 3.921 3.960 0.003 0.000 0.199 438 G HA3 -0.041 3.921 3.960 0.003 0.000 0.199 438 G C -0.639 174.222 174.900 -0.064 0.000 1.235 438 G CA -0.336 44.730 45.100 -0.057 0.000 1.264 438 G HN 0.657 nan 8.290 nan 0.000 0.543 439 E N 1.180 121.344 120.200 -0.059 0.000 2.313 439 E HA 0.700 5.052 4.350 0.003 0.000 0.276 439 E C 1.298 177.863 176.600 -0.058 0.000 1.031 439 E CA 0.862 57.231 56.400 -0.051 0.000 0.857 439 E CB 1.249 30.921 29.700 -0.047 0.000 1.040 439 E HN 1.127 nan 8.360 nan 0.000 0.408 440 A N 3.091 125.901 122.820 -0.018 0.000 1.902 440 A HA -0.162 4.160 4.320 0.003 0.000 0.217 440 A C 2.000 179.634 177.584 0.084 0.000 1.181 440 A CA 2.111 54.181 52.037 0.055 0.000 0.623 440 A CB -0.739 18.338 19.000 0.128 0.000 0.818 440 A HN 0.719 nan 8.150 nan 0.000 0.443 441 T N -0.021 114.556 114.554 0.038 0.000 2.788 441 T HA -0.129 4.223 4.350 0.003 0.000 0.268 441 T C 1.754 176.468 174.700 0.024 0.000 1.044 441 T CA 1.592 63.712 62.100 0.034 0.000 1.139 441 T CB -0.218 68.649 68.868 -0.002 0.000 0.867 441 T HN 0.622 nan 8.240 nan 0.000 0.454 442 E N 0.594 120.791 120.200 -0.005 0.000 2.072 442 E HA -0.071 4.281 4.350 0.003 0.000 0.190 442 E C 2.462 179.049 176.600 -0.022 0.000 0.982 442 E CA 1.218 57.610 56.400 -0.013 0.000 0.803 442 E CB -0.198 29.488 29.700 -0.024 0.000 0.755 442 E HN 0.413 nan 8.360 nan 0.000 0.453 443 T N 1.258 115.777 114.554 -0.059 0.000 2.833 443 T HA -0.148 4.204 4.350 0.003 0.000 0.269 443 T C 2.010 176.721 174.700 0.017 0.000 1.054 443 T CA 1.103 63.135 62.100 -0.114 0.000 1.135 443 T CB -0.187 68.436 68.868 -0.408 0.000 0.869 443 T HN 0.214 nan 8.240 nan 0.000 0.466 444 A N 1.299 124.193 122.820 0.122 0.000 1.940 444 A HA -0.036 4.286 4.320 0.003 0.000 0.219 444 A C 2.143 179.765 177.584 0.063 0.000 1.176 444 A CA 1.206 53.342 52.037 0.166 0.000 0.631 444 A CB -0.691 18.392 19.000 0.139 0.000 0.814 444 A HN 0.344 nan 8.150 nan 0.000 0.446 445 L N -0.250 120.988 121.223 0.026 0.000 2.093 445 L HA -0.080 4.261 4.340 0.003 0.000 0.208 445 L C 2.691 179.549 176.870 -0.019 0.000 1.085 445 L CA 2.295 57.131 54.840 -0.007 0.000 0.755 445 L CB -1.349 40.700 42.059 -0.015 0.000 0.904 445 L HN 0.397 nan 8.230 nan 0.000 0.435 446 T N -1.534 113.012 114.554 -0.012 0.000 2.674 446 T HA -0.184 4.168 4.350 0.003 0.000 0.265 446 T C 1.796 176.487 174.700 -0.014 0.000 1.039 446 T CA 1.940 64.029 62.100 -0.019 0.000 1.150 446 T CB -0.469 68.386 68.868 -0.022 0.000 0.864 446 T HN 0.294 nan 8.240 nan 0.000 0.427 447 T N 2.345 116.908 114.554 0.014 0.000 2.803 447 T HA -0.042 4.310 4.350 0.003 0.000 0.269 447 T C 1.859 176.543 174.700 -0.027 0.000 1.052 447 T CA 0.711 62.816 62.100 0.008 0.000 1.136 447 T CB -0.427 68.490 68.868 0.081 0.000 0.864 447 T HN 0.102 nan 8.240 nan 0.000 0.467 448 L N 2.329 123.536 121.223 -0.027 0.000 2.005 448 L HA -0.044 4.297 4.340 0.003 0.000 0.207 448 L C 2.644 179.469 176.870 -0.075 0.000 1.072 448 L CA 1.620 56.428 54.840 -0.053 0.000 0.744 448 L CB -0.978 41.047 42.059 -0.056 0.000 0.895 448 L HN 0.271 nan 8.230 nan 0.000 0.433 449 V N -2.845 117.025 119.914 -0.074 0.000 2.469 449 V HA -0.182 3.940 4.120 0.003 0.000 0.251 449 V C 2.296 178.346 176.094 -0.073 0.000 1.064 449 V CA 1.761 64.009 62.300 -0.087 0.000 1.066 449 V CB -1.051 30.727 31.823 -0.076 0.000 0.667 449 V HN 0.477 nan 8.190 nan 0.000 0.461 450 E N 0.998 121.163 120.200 -0.058 0.000 2.152 450 E HA -0.106 4.246 4.350 0.003 0.000 0.192 450 E C 2.183 178.746 176.600 -0.062 0.000 0.983 450 E CA 1.305 57.672 56.400 -0.054 0.000 0.818 450 E CB -0.205 29.459 29.700 -0.060 0.000 0.758 450 E HN 0.716 nan 8.360 nan 0.000 0.467 451 K N -0.143 120.215 120.400 -0.069 0.000 2.186 451 K HA 0.113 4.435 4.320 0.003 0.000 0.202 451 K C 2.226 178.786 176.600 -0.067 0.000 1.052 451 K CA 0.535 56.782 56.287 -0.066 0.000 0.965 451 K CB 0.036 32.497 32.500 -0.065 0.000 0.746 451 K HN 0.058 nan 8.250 nan 0.000 0.457 452 M N 0.546 120.093 119.600 -0.088 0.000 2.098 452 M HA -0.094 4.388 4.480 0.003 0.000 0.262 452 M C 0.577 176.817 176.300 -0.101 0.000 1.072 452 M CA 0.660 55.892 55.300 -0.113 0.000 1.133 452 M CB -0.175 32.328 32.600 -0.162 0.000 1.344 452 M HN 0.148 nan 8.290 nan 0.000 0.414 453 N N 1.129 119.771 118.700 -0.097 0.000 2.714 453 N HA -0.127 4.615 4.740 0.003 0.000 0.253 453 N C 0.457 175.894 175.510 -0.122 0.000 1.024 453 N CA 0.637 53.643 53.050 -0.073 0.000 0.726 453 N CB -0.675 37.793 38.487 -0.031 0.000 0.908 453 N HN 0.364 nan 8.380 nan 0.000 0.542 454 V N -2.845 116.913 119.914 -0.260 0.000 2.944 454 V HA -0.151 3.971 4.120 0.003 0.000 0.265 454 V C 1.466 177.254 176.094 -0.511 0.000 1.125 454 V CA 1.650 63.694 62.300 -0.426 0.000 1.145 454 V CB -0.851 30.587 31.823 -0.641 0.000 0.725 454 V HN 0.271 nan 8.190 nan 0.000 0.510 455 F N 0.970 120.908 119.950 -0.021 0.000 2.654 455 F HA 0.439 4.968 4.527 0.003 0.000 0.303 455 F C 1.023 176.816 175.800 -0.011 0.000 1.099 455 F CA -1.160 56.831 58.000 -0.016 0.000 1.270 455 F CB -1.300 37.687 39.000 -0.022 0.000 1.024 455 F HN 0.240 nan 8.300 nan 0.000 0.548 456 N N 0.092 118.856 118.700 0.107 0.000 2.716 456 N HA -0.191 4.551 4.740 0.003 0.000 0.250 456 N C -0.246 175.309 175.510 0.076 0.000 1.033 456 N CA 0.743 53.837 53.050 0.072 0.000 0.727 456 N CB -1.205 37.320 38.487 0.064 0.000 0.950 456 N HN 0.085 nan 8.380 nan 0.000 0.541 457 T N 0.743 115.351 114.554 0.089 0.000 2.926 457 T HA 0.016 4.368 4.350 0.003 0.000 0.307 457 T C 0.601 175.323 174.700 0.037 0.000 1.059 457 T CA -0.126 62.014 62.100 0.066 0.000 1.122 457 T CB 0.693 69.605 68.868 0.073 0.000 0.972 457 T HN 0.018 nan 8.240 nan 0.000 0.545 458 E N 2.884 123.100 120.200 0.026 0.000 1.944 458 E HA 0.124 4.476 4.350 0.003 0.000 0.272 458 E C 1.042 177.650 176.600 0.012 0.000 1.195 458 E CA -0.066 56.344 56.400 0.016 0.000 0.926 458 E CB 0.371 30.078 29.700 0.011 0.000 1.051 458 E HN 0.541 nan 8.360 nan 0.000 0.404 459 V N 1.229 121.149 119.914 0.010 0.000 3.660 459 V HA 0.091 4.212 4.120 0.003 0.000 0.276 459 V C 1.510 177.604 176.094 0.001 0.000 1.317 459 V CA 0.193 62.497 62.300 0.007 0.000 1.097 459 V CB -0.296 31.531 31.823 0.005 0.000 0.863 459 V HN 0.414 nan 8.190 nan 0.000 0.438 460 R N 0.246 120.746 120.500 0.001 0.000 2.335 460 R HA 0.272 4.614 4.340 0.003 0.000 0.223 460 R C 0.926 177.224 176.300 -0.004 0.000 0.940 460 R CA 1.046 57.145 56.100 -0.002 0.000 1.086 460 R CB -0.847 29.452 30.300 -0.001 0.000 1.073 460 R HN 0.613 nan 8.270 nan 0.000 0.504 461 N N -0.132 118.566 118.700 -0.003 0.000 2.348 461 N HA 0.171 4.913 4.740 0.003 0.000 0.183 461 N C -0.220 175.285 175.510 -0.008 0.000 1.094 461 N CA -0.337 52.710 53.050 -0.005 0.000 0.885 461 N CB 0.440 38.926 38.487 -0.002 0.000 1.065 461 N HN 0.046 nan 8.380 nan 0.000 0.472 462 L N 1.040 122.258 121.223 -0.008 0.000 2.421 462 L HA 0.246 4.588 4.340 0.003 0.000 0.263 462 L C 1.169 178.022 176.870 -0.028 0.000 1.122 462 L CA -0.584 54.248 54.840 -0.012 0.000 0.804 462 L CB 1.111 43.168 42.059 -0.003 0.000 1.150 462 L HN 0.126 nan 8.230 nan 0.000 0.457 463 S N 0.953 116.627 115.700 -0.043 0.000 2.484 463 S HA 0.153 4.625 4.470 0.003 0.000 0.256 463 S C 0.939 175.459 174.600 -0.134 0.000 1.223 463 S CA -0.282 57.866 58.200 -0.087 0.000 1.002 463 S CB 0.527 63.673 63.200 -0.090 0.000 1.043 463 S HN 0.503 nan 8.310 nan 0.000 0.517 464 K N -0.085 120.133 120.400 -0.303 0.000 2.021 464 K HA 0.222 4.543 4.320 0.003 0.000 0.205 464 K C 1.887 178.270 176.600 -0.360 0.000 1.047 464 K CA 1.268 57.219 56.287 -0.561 0.000 0.943 464 K CB -1.043 30.483 32.500 -1.623 0.000 0.725 464 K HN 0.424 nan 8.250 nan 0.000 0.439 465 V N 1.365 121.126 119.914 -0.254 0.000 3.141 465 V HA -0.117 4.005 4.120 0.003 0.000 0.265 465 V C 1.401 177.513 176.094 0.029 0.000 1.126 465 V CA 1.447 63.746 62.300 -0.002 0.000 1.141 465 V CB -0.498 31.366 31.823 0.069 0.000 0.743 465 V HN 0.308 nan 8.190 nan 0.000 0.492 466 E N 0.802 121.000 120.200 -0.003 0.000 2.251 466 E HA -0.052 4.300 4.350 0.003 0.000 0.194 466 E C 2.183 178.803 176.600 0.033 0.000 0.964 466 E CA 0.424 56.834 56.400 0.016 0.000 0.868 466 E CB 0.050 29.749 29.700 -0.002 0.000 0.828 466 E HN 0.650 nan 8.360 nan 0.000 0.481 467 R N 0.793 121.318 120.500 0.043 0.000 2.317 467 R HA 0.277 4.619 4.340 0.003 0.000 0.208 467 R C 1.832 178.185 176.300 0.088 0.000 0.914 467 R CA 0.781 56.912 56.100 0.051 0.000 1.060 467 R CB 0.039 30.358 30.300 0.031 0.000 1.015 467 R HN 0.008 nan 8.270 nan 0.000 0.498 468 A N 2.034 124.956 122.820 0.171 0.000 1.849 468 A HA -0.164 4.157 4.320 0.003 0.000 0.217 468 A C 1.345 178.990 177.584 0.101 0.000 1.202 468 A CA 1.632 53.807 52.037 0.231 0.000 0.629 468 A CB -0.503 18.682 19.000 0.308 0.000 0.834 468 A HN 0.523 nan 8.150 nan 0.000 0.447 469 N N -0.493 118.254 118.700 0.079 0.000 2.321 469 N HA 0.372 5.114 4.740 0.003 0.000 0.242 469 N C 1.156 176.685 175.510 0.032 0.000 1.141 469 N CA 0.654 53.731 53.050 0.045 0.000 0.864 469 N CB 0.516 39.028 38.487 0.042 0.000 1.100 469 N HN 0.478 nan 8.380 nan 0.000 0.510 470 A N 0.622 123.461 122.820 0.031 0.000 1.834 470 A HA -0.166 4.156 4.320 0.003 0.000 0.216 470 A C 2.346 179.946 177.584 0.027 0.000 1.203 470 A CA 1.255 53.307 52.037 0.026 0.000 0.621 470 A CB -0.974 18.040 19.000 0.023 0.000 0.841 470 A HN 0.454 nan 8.150 nan 0.000 0.446 471 C N -0.087 119.227 119.300 0.024 0.000 2.403 471 C HA -0.103 4.359 4.460 0.003 0.000 0.282 471 C C 2.700 177.713 174.990 0.039 0.000 1.297 471 C CA 1.025 60.065 59.018 0.037 0.000 1.785 471 C CB -1.679 26.067 27.740 0.009 0.000 1.963 471 C HN 0.600 nan 8.230 nan 0.000 0.507 472 N N 0.911 119.622 118.700 0.017 0.000 2.092 472 N HA -0.088 4.654 4.740 0.003 0.000 0.189 472 N C 1.910 177.432 175.510 0.019 0.000 1.040 472 N CA 1.473 54.529 53.050 0.009 0.000 0.845 472 N CB -0.502 37.985 38.487 0.001 0.000 1.017 472 N HN 0.412 nan 8.380 nan 0.000 0.426 473 S N 0.967 116.678 115.700 0.019 0.000 2.392 473 S HA -0.114 4.358 4.470 0.003 0.000 0.232 473 S C 2.258 176.866 174.600 0.014 0.000 1.041 473 S CA 0.960 59.169 58.200 0.015 0.000 1.026 473 S CB -0.411 62.799 63.200 0.015 0.000 0.845 473 S HN 0.114 nan 8.310 nan 0.000 0.465 474 V N 1.921 121.852 119.914 0.028 0.000 2.295 474 V HA -0.155 3.967 4.120 0.003 0.000 0.246 474 V C 2.049 178.155 176.094 0.021 0.000 1.049 474 V CA 1.595 63.908 62.300 0.021 0.000 1.024 474 V CB -0.640 31.227 31.823 0.074 0.000 0.648 474 V HN 0.484 nan 8.190 nan 0.000 0.447 475 I N -0.419 120.196 120.570 0.075 0.000 2.394 475 I HA -0.190 3.982 4.170 0.003 0.000 0.251 475 I C 2.497 178.624 176.117 0.017 0.000 1.136 475 I CA 1.269 62.615 61.300 0.078 0.000 1.425 475 I CB -0.441 37.596 38.000 0.061 0.000 1.079 475 I HN 0.215 nan 8.210 nan 0.000 0.425 476 R N 0.595 121.099 120.500 0.008 0.000 2.357 476 R HA -0.097 4.245 4.340 0.003 0.000 0.202 476 R C 1.663 177.965 176.300 0.002 0.000 1.047 476 R CA 0.573 56.675 56.100 0.005 0.000 1.034 476 R CB 0.011 30.315 30.300 0.007 0.000 0.875 476 R HN 0.452 nan 8.270 nan 0.000 0.473 477 Q N -0.516 119.278 119.800 -0.011 0.000 2.392 477 Q HA 0.066 4.408 4.340 0.003 0.000 0.219 477 Q C 1.624 177.606 176.000 -0.029 0.000 0.895 477 Q CA 0.508 56.297 55.803 -0.023 0.000 0.929 477 Q CB 0.326 29.039 28.738 -0.041 0.000 1.077 477 Q HN 0.205 nan 8.270 nan 0.000 0.532 478 L N -0.579 120.625 121.223 -0.032 0.000 2.240 478 L HA 0.078 4.419 4.340 0.003 0.000 0.211 478 L C 0.592 177.472 176.870 0.016 0.000 1.106 478 L CA 1.152 55.976 54.840 -0.027 0.000 0.793 478 L CB 0.034 42.075 42.059 -0.030 0.000 0.927 478 L HN 0.097 nan 8.230 nan 0.000 0.446 479 M N -0.595 119.026 119.600 0.035 0.000 2.457 479 M HA 0.299 4.781 4.480 0.003 0.000 0.300 479 M C -0.576 175.755 176.300 0.053 0.000 1.141 479 M CA -0.563 54.777 55.300 0.067 0.000 0.901 479 M CB 2.177 34.867 32.600 0.149 0.000 1.687 479 M HN -0.140 nan 8.290 nan 0.000 0.449 480 K N 2.477 122.906 120.400 0.050 0.000 2.253 480 K HA 0.252 4.574 4.320 0.003 0.000 0.277 480 K C -0.364 176.267 176.600 0.052 0.000 1.053 480 K CA -0.319 55.995 56.287 0.045 0.000 0.892 480 K CB 1.040 33.566 32.500 0.043 0.000 1.102 480 K HN 0.620 nan 8.250 nan 0.000 0.469 481 K N 5.357 125.786 120.400 0.048 0.000 2.228 481 K HA 0.000 4.322 4.320 0.003 0.000 0.284 481 K C 0.458 177.080 176.600 0.037 0.000 1.088 481 K CA -0.151 56.157 56.287 0.036 0.000 0.941 481 K CB 0.591 33.114 32.500 0.037 0.000 1.158 481 K HN 0.644 nan 8.250 nan 0.000 0.438 482 E N 3.008 123.225 120.200 0.028 0.000 2.012 482 E HA -0.140 4.212 4.350 0.003 0.000 0.197 482 E C 0.377 177.087 176.600 0.184 0.000 1.007 482 E CA 1.558 58.018 56.400 0.100 0.000 0.816 482 E CB -0.100 29.674 29.700 0.123 0.000 0.762 482 E HN 0.579 nan 8.360 nan 0.000 0.451 483 F N -2.172 117.798 119.950 0.034 0.000 2.779 483 F HA 0.497 5.026 4.527 0.003 0.000 0.316 483 F C -0.628 175.185 175.800 0.022 0.000 1.164 483 F CA -1.201 56.803 58.000 0.006 0.000 0.924 483 F CB 1.557 40.526 39.000 -0.052 0.000 1.348 483 F HN -0.237 nan 8.300 nan 0.000 0.467 484 T N 0.822 115.506 114.554 0.216 0.000 2.861 484 T HA 0.660 5.012 4.350 0.003 0.000 0.287 484 T C -1.308 173.465 174.700 0.121 0.000 1.003 484 T CA -0.737 61.420 62.100 0.096 0.000 0.977 484 T CB 1.252 70.169 68.868 0.080 0.000 0.996 484 T HN 0.837 nan 8.240 nan 0.000 0.448 485 L N 4.071 125.283 121.223 -0.017 0.000 2.288 485 L HA 0.394 4.736 4.340 0.003 0.000 0.283 485 L C 0.358 177.250 176.870 0.037 0.000 1.072 485 L CA -1.038 53.640 54.840 -0.270 0.000 0.862 485 L CB 0.136 41.847 42.059 -0.579 0.000 1.245 485 L HN 0.726 nan 8.230 nan 0.000 0.432 486 E N 1.580 121.918 120.200 0.229 0.000 2.485 486 E HA -0.064 4.288 4.350 0.003 0.000 0.266 486 E C -0.387 176.419 176.600 0.343 0.000 1.137 486 E CA -0.024 56.558 56.400 0.302 0.000 1.010 486 E CB 0.291 30.192 29.700 0.335 0.000 0.986 486 E HN 0.292 nan 8.360 nan 0.000 0.460 487 F N 1.121 121.176 119.950 0.175 0.000 2.418 487 F HA 0.321 4.850 4.527 0.003 0.000 0.341 487 F C -0.070 175.823 175.800 0.155 0.000 1.120 487 F CA -0.135 57.956 58.000 0.151 0.000 1.232 487 F CB 0.649 39.714 39.000 0.107 0.000 1.175 487 F HN 0.387 nan 8.300 nan 0.000 0.569 488 S N 5.084 120.548 115.700 -0.393 0.000 2.614 488 S HA 0.397 4.868 4.470 0.003 0.000 0.275 488 S C 0.278 174.660 174.600 -0.364 0.000 1.161 488 S CA -1.060 57.070 58.200 -0.117 0.000 0.969 488 S CB 1.756 64.942 63.200 -0.023 0.000 1.059 488 S HN 0.828 nan 8.310 nan 0.000 0.482 489 R N 1.189 121.703 120.500 0.022 0.000 2.226 489 R HA -0.198 4.144 4.340 0.003 0.000 0.246 489 R C 1.670 177.947 176.300 -0.039 0.000 1.161 489 R CA 2.047 58.194 56.100 0.079 0.000 0.997 489 R CB -0.453 29.949 30.300 0.171 0.000 0.870 489 R HN 0.902 nan 8.270 nan 0.000 0.465 490 D N 0.866 121.225 120.400 -0.069 0.000 2.088 490 D HA -0.225 4.417 4.640 0.003 0.000 0.191 490 D C 1.781 178.027 176.300 -0.089 0.000 0.992 490 D CA 1.798 55.761 54.000 -0.062 0.000 0.831 490 D CB 0.036 40.798 40.800 -0.064 0.000 0.973 490 D HN 0.323 nan 8.370 nan 0.000 0.447 491 R N -0.605 119.805 120.500 -0.150 0.000 2.334 491 R HA 0.188 4.530 4.340 0.003 0.000 0.212 491 R C 0.136 176.318 176.300 -0.197 0.000 0.897 491 R CA -0.129 55.893 56.100 -0.130 0.000 1.056 491 R CB -0.102 30.146 30.300 -0.087 0.000 1.046 491 R HN -0.050 nan 8.270 nan 0.000 0.513 492 K N 1.849 122.007 120.400 -0.403 0.000 3.278 492 K HA -0.204 4.118 4.320 0.003 0.000 0.270 492 K C -0.811 175.603 176.600 -0.310 0.000 0.955 492 K CA 1.062 57.061 56.287 -0.480 0.000 0.723 492 K CB -1.580 30.911 32.500 -0.014 0.000 1.382 492 K HN 0.710 nan 8.250 nan 0.000 0.461 493 S N -1.060 114.327 115.700 -0.521 0.000 2.636 493 S HA 0.759 5.231 4.470 0.003 0.000 0.266 493 S C -0.926 173.680 174.600 0.010 0.000 1.147 493 S CA -0.823 57.349 58.200 -0.048 0.000 0.815 493 S CB 2.416 65.626 63.200 0.017 0.000 1.119 493 S HN 0.504 nan 8.310 nan 0.000 0.470 494 M N 0.594 120.287 119.600 0.155 0.000 2.520 494 M HA 0.825 5.307 4.480 0.003 0.000 0.280 494 M C -1.315 175.054 176.300 0.114 0.000 1.232 494 M CA -0.374 55.024 55.300 0.165 0.000 0.892 494 M CB 2.009 34.764 32.600 0.260 0.000 1.728 494 M HN 1.277 nan 8.290 nan 0.000 0.475 495 S N 1.141 116.885 115.700 0.073 0.000 2.651 495 S HA 0.935 5.407 4.470 0.003 0.000 0.279 495 S C -0.962 173.638 174.600 -0.001 0.000 1.148 495 S CA -0.325 57.900 58.200 0.042 0.000 0.837 495 S CB 1.873 65.085 63.200 0.019 0.000 1.138 495 S HN 1.652 nan 8.310 nan 0.000 0.478 496 V N -0.663 119.237 119.914 -0.024 0.000 2.623 496 V HA 0.645 4.767 4.120 0.003 0.000 0.304 496 V C -1.282 174.674 176.094 -0.230 0.000 1.054 496 V CA -0.890 61.356 62.300 -0.090 0.000 0.882 496 V CB 0.873 32.711 31.823 0.025 0.000 1.002 496 V HN 0.968 nan 8.190 nan 0.000 0.424 497 Y N 3.585 123.507 120.300 -0.629 0.000 2.336 497 Y HA 0.672 5.224 4.550 0.003 0.000 0.335 497 Y C 0.087 175.702 175.900 -0.474 0.000 1.046 497 Y CA -0.108 57.559 58.100 -0.722 0.000 1.198 497 Y CB 0.972 38.572 38.460 -1.433 0.000 1.182 497 Y HN 0.972 nan 8.280 nan 0.000 0.502 498 C N 4.092 123.150 119.300 -0.404 0.000 2.698 498 C HA 0.676 5.138 4.460 0.003 0.000 0.309 498 C C -0.661 174.241 174.990 -0.146 0.000 1.186 498 C CA -1.021 57.910 59.018 -0.145 0.000 1.474 498 C CB 0.942 28.687 27.740 0.008 0.000 2.020 498 C HN 0.886 nan 8.230 nan 0.000 0.474 499 S N 2.511 118.212 115.700 0.001 0.000 2.532 499 S HA 0.753 5.225 4.470 0.003 0.000 0.301 499 S C -2.880 171.731 174.600 0.017 0.000 1.083 499 S CA -1.151 57.057 58.200 0.013 0.000 1.025 499 S CB 1.490 64.736 63.200 0.076 0.000 1.056 499 S HN 0.635 nan 8.310 nan 0.000 0.494 500 P HA 0.077 nan 4.420 nan 0.000 0.267 500 P C 0.645 177.954 177.300 0.015 0.000 1.195 500 P CA 0.024 63.131 63.100 0.013 0.000 0.773 500 P CB 0.447 32.149 31.700 0.003 0.000 0.837 501 A N 3.263 126.089 122.820 0.010 0.000 1.838 501 A HA -0.078 4.244 4.320 0.003 0.000 0.215 501 A C 1.248 178.832 177.584 0.001 0.000 1.273 501 A CA 1.275 53.315 52.037 0.005 0.000 0.602 501 A CB -0.973 18.023 19.000 -0.006 0.000 0.934 501 A HN 0.476 nan 8.150 nan 0.000 0.461 502 K N 1.480 121.876 120.400 -0.007 0.000 2.054 502 K HA 0.337 4.658 4.320 0.003 0.000 0.242 502 K C -0.971 175.627 176.600 -0.004 0.000 1.157 502 K CA 0.404 56.687 56.287 -0.008 0.000 1.079 502 K CB -0.934 31.557 32.500 -0.015 0.000 1.331 502 K HN 0.270 nan 8.250 nan 0.000 0.317 503 S N 0.855 116.555 115.700 0.001 0.000 2.588 503 S HA 0.712 5.183 4.470 0.003 0.000 0.269 503 S C -1.913 172.691 174.600 0.006 0.000 1.157 503 S CA -0.690 57.512 58.200 0.003 0.000 0.824 503 S CB 1.682 64.885 63.200 0.006 0.000 1.126 503 S HN 0.601 nan 8.310 nan 0.000 0.464 504 S N 1.380 117.084 115.700 0.006 0.000 2.582 504 S HA 0.538 5.010 4.470 0.003 0.000 0.296 504 S C -0.704 173.900 174.600 0.007 0.000 1.118 504 S CA -0.877 57.327 58.200 0.007 0.000 0.947 504 S CB 1.025 64.228 63.200 0.005 0.000 1.131 504 S HN 0.713 nan 8.310 nan 0.000 0.453 505 R N -0.608 119.898 120.500 0.009 0.000 3.651 505 R HA -0.140 4.202 4.340 0.003 0.000 0.292 505 R C 0.303 176.608 176.300 0.009 0.000 1.161 505 R CA 1.097 57.202 56.100 0.008 0.000 0.787 505 R CB -2.484 27.819 30.300 0.006 0.000 1.249 505 R HN 1.391 nan 8.270 nan 0.000 0.476 506 A N -0.300 122.527 122.820 0.011 0.000 2.295 506 A HA 0.771 5.093 4.320 0.003 0.000 0.318 506 A C 1.026 178.618 177.584 0.014 0.000 1.134 506 A CA 0.253 52.295 52.037 0.009 0.000 0.827 506 A CB 1.182 20.186 19.000 0.007 0.000 1.136 506 A HN 0.351 nan 8.150 nan 0.000 0.493 507 A N 1.045 123.872 122.820 0.011 0.000 2.430 507 A HA 0.545 4.867 4.320 0.003 0.000 0.243 507 A C 0.112 177.704 177.584 0.014 0.000 1.254 507 A CA 0.199 52.245 52.037 0.015 0.000 0.914 507 A CB -0.154 18.852 19.000 0.011 0.000 0.998 507 A HN 0.918 nan 8.150 nan 0.000 0.515 508 V N -2.796 117.122 119.914 0.007 0.000 3.147 508 V HA 0.763 4.885 4.120 0.003 0.000 0.306 508 V C 0.893 176.979 176.094 -0.012 0.000 1.209 508 V CA -0.013 62.285 62.300 -0.004 0.000 1.023 508 V CB 1.412 33.229 31.823 -0.010 0.000 1.059 508 V HN 0.843 nan 8.190 nan 0.000 0.435 509 G N 1.899 110.679 108.800 -0.034 0.000 2.480 509 G HA2 -0.172 3.790 3.960 0.003 0.000 0.193 509 G HA3 -0.172 3.790 3.960 0.003 0.000 0.193 509 G C 0.098 174.944 174.900 -0.090 0.000 1.004 509 G CA -0.003 45.069 45.100 -0.046 0.000 0.696 509 G HN 0.680 nan 8.290 nan 0.000 0.478 510 N N 1.344 119.980 118.700 -0.107 0.000 2.395 510 N HA 0.391 5.132 4.740 0.003 0.000 0.246 510 N C -0.371 174.889 175.510 -0.415 0.000 1.246 510 N CA 0.638 53.541 53.050 -0.245 0.000 0.879 510 N CB 0.347 38.713 38.487 -0.203 0.000 1.098 510 N HN 0.116 nan 8.380 nan 0.000 0.444 511 K N 1.965 121.983 120.400 -0.636 0.000 2.502 511 K HA 0.410 4.732 4.320 0.003 0.000 0.257 511 K C -1.066 174.893 176.600 -1.069 0.000 0.938 511 K CA -0.504 55.323 56.287 -0.766 0.000 0.819 511 K CB 2.354 34.398 32.500 -0.759 0.000 1.333 511 K HN 0.463 nan 8.250 nan 0.000 0.434 512 M N 2.592 121.640 119.600 -0.920 0.000 2.190 512 M HA 0.405 4.886 4.480 0.003 0.000 0.312 512 M C -1.328 174.608 176.300 -0.608 0.000 0.990 512 M CA -0.747 54.124 55.300 -0.715 0.000 0.927 512 M CB 0.909 33.272 32.600 -0.395 0.000 1.571 512 M HN 0.341 nan 8.290 nan 0.000 0.427 513 F N 3.152 123.025 119.950 -0.128 0.000 2.388 513 F HA 0.567 5.095 4.527 0.003 0.000 0.358 513 F C -0.082 175.687 175.800 -0.052 0.000 1.122 513 F CA -0.933 57.016 58.000 -0.085 0.000 1.056 513 F CB 0.916 39.865 39.000 -0.085 0.000 1.155 513 F HN 0.129 nan 8.300 nan 0.000 0.461 514 V N 3.260 123.255 119.914 0.135 0.000 2.667 514 V HA 0.595 4.717 4.120 0.003 0.000 0.308 514 V C -0.374 175.773 176.094 0.089 0.000 1.048 514 V CA -1.151 61.205 62.300 0.094 0.000 0.928 514 V CB 2.086 33.954 31.823 0.075 0.000 1.004 514 V HN 0.695 nan 8.190 nan 0.000 0.444 515 K N 1.373 121.832 120.400 0.098 0.000 2.498 515 K HA 0.760 5.082 4.320 0.003 0.000 0.254 515 K C -0.480 176.207 176.600 0.145 0.000 0.933 515 K CA 0.024 56.370 56.287 0.099 0.000 0.806 515 K CB 2.305 34.859 32.500 0.090 0.000 1.301 515 K HN 1.095 nan 8.250 nan 0.000 0.432 516 G N 0.979 109.867 108.800 0.147 0.000 2.315 516 G HA2 0.417 4.378 3.960 0.003 0.000 0.294 516 G HA3 0.417 4.378 3.960 0.003 0.000 0.294 516 G C -1.578 173.420 174.900 0.163 0.000 1.300 516 G CA -0.431 44.787 45.100 0.197 0.000 0.843 516 G HN 0.682 nan 8.290 nan 0.000 0.527 517 A N 0.413 123.341 122.820 0.181 0.000 2.511 517 A HA 0.578 4.900 4.320 0.003 0.000 0.242 517 A C -0.662 176.990 177.584 0.113 0.000 1.069 517 A CA 0.194 52.318 52.037 0.145 0.000 0.763 517 A CB 0.051 19.138 19.000 0.146 0.000 1.001 517 A HN 0.378 nan 8.150 nan 0.000 0.498 518 P HA -0.217 nan 4.420 nan 0.000 0.215 518 P C 1.427 178.766 177.300 0.066 0.000 1.157 518 P CA 1.653 64.810 63.100 0.094 0.000 0.874 518 P CB 0.192 31.946 31.700 0.089 0.000 0.790 519 E N -0.631 119.602 120.200 0.055 0.000 2.013 519 E HA -0.193 4.159 4.350 0.003 0.000 0.202 519 E C 2.238 178.857 176.600 0.032 0.000 1.018 519 E CA 1.792 58.212 56.400 0.035 0.000 0.834 519 E CB -1.059 28.662 29.700 0.034 0.000 0.770 519 E HN 0.150 nan 8.360 nan 0.000 0.459 520 G N 0.253 109.075 108.800 0.037 0.000 2.421 520 G HA2 -0.234 3.728 3.960 0.003 0.000 0.216 520 G HA3 -0.234 3.728 3.960 0.003 0.000 0.216 520 G C 1.690 176.614 174.900 0.041 0.000 1.171 520 G CA 0.980 46.098 45.100 0.030 0.000 0.775 520 G HN 0.265 nan 8.290 nan 0.000 0.543 521 V N 1.078 121.029 119.914 0.061 0.000 2.407 521 V HA -0.153 3.969 4.120 0.003 0.000 0.248 521 V C 2.767 178.918 176.094 0.095 0.000 1.055 521 V CA 1.545 63.894 62.300 0.083 0.000 1.049 521 V CB -0.307 31.580 31.823 0.106 0.000 0.662 521 V HN 0.404 nan 8.190 nan 0.000 0.455 522 I N -0.319 120.300 120.570 0.082 0.000 2.353 522 I HA -0.168 4.004 4.170 0.003 0.000 0.248 522 I C 2.172 178.301 176.117 0.021 0.000 1.119 522 I CA 1.234 62.567 61.300 0.055 0.000 1.417 522 I CB -0.450 37.542 38.000 -0.013 0.000 1.078 522 I HN 0.292 nan 8.210 nan 0.000 0.421 523 D N 1.081 121.489 120.400 0.014 0.000 2.263 523 D HA -0.133 4.509 4.640 0.003 0.000 0.208 523 D C 1.911 178.213 176.300 0.004 0.000 0.971 523 D CA 1.042 55.042 54.000 -0.000 0.000 0.867 523 D CB -0.086 40.714 40.800 0.000 0.000 0.929 523 D HN 0.375 nan 8.370 nan 0.000 0.492 524 R N -0.565 119.950 120.500 0.024 0.000 2.359 524 R HA 0.168 4.510 4.340 0.003 0.000 0.231 524 R C 0.161 176.484 176.300 0.038 0.000 0.913 524 R CA -0.182 55.935 56.100 0.028 0.000 1.075 524 R CB 0.338 30.662 30.300 0.040 0.000 1.087 524 R HN 0.028 nan 8.270 nan 0.000 0.515 525 C N 1.578 120.904 119.300 0.043 0.000 2.347 525 C HA 0.251 4.713 4.460 0.003 0.000 0.353 525 C C 1.162 176.135 174.990 -0.028 0.000 1.273 525 C CA -0.679 58.377 59.018 0.064 0.000 1.861 525 C CB 0.507 28.326 27.740 0.130 0.000 2.420 525 C HN 0.465 nan 8.230 nan 0.000 0.542 526 N N 0.749 119.378 118.700 -0.118 0.000 2.220 526 N HA 0.168 4.909 4.740 0.003 0.000 0.195 526 N C -0.793 174.329 175.510 -0.647 0.000 1.123 526 N CA 0.413 53.212 53.050 -0.418 0.000 0.874 526 N CB 0.406 38.519 38.487 -0.624 0.000 0.995 526 N HN 0.706 nan 8.380 nan 0.000 0.498 527 Y N -1.034 119.303 120.300 0.062 0.000 2.609 527 Y HA 0.595 5.147 4.550 0.003 0.000 0.342 527 Y C -0.152 175.816 175.900 0.115 0.000 1.058 527 Y CA -1.044 57.099 58.100 0.071 0.000 1.055 527 Y CB 1.564 40.059 38.460 0.059 0.000 1.292 527 Y HN -0.424 nan 8.280 nan 0.000 0.476 528 V N 1.509 121.599 119.914 0.293 0.000 2.735 528 V HA 0.546 4.668 4.120 0.003 0.000 0.310 528 V C -0.711 175.521 176.094 0.229 0.000 1.061 528 V CA -1.109 61.361 62.300 0.283 0.000 0.913 528 V CB 2.070 34.032 31.823 0.232 0.000 1.005 528 V HN 0.687 nan 8.190 nan 0.000 0.428 529 R N 2.504 123.129 120.500 0.209 0.000 2.368 529 R HA 0.735 5.077 4.340 0.003 0.000 0.302 529 R C -1.417 174.966 176.300 0.138 0.000 1.002 529 R CA -0.257 55.920 56.100 0.129 0.000 0.929 529 R CB 1.586 31.923 30.300 0.063 0.000 1.073 529 R HN 0.513 nan 8.270 nan 0.000 0.464 530 V N 5.730 125.712 119.914 0.113 0.000 2.454 530 V HA 0.415 4.537 4.120 0.003 0.000 0.267 530 V C 0.807 176.958 176.094 0.094 0.000 0.993 530 V CA 0.289 62.660 62.300 0.118 0.000 0.836 530 V CB 0.421 32.313 31.823 0.114 0.000 1.055 530 V HN 1.159 nan 8.190 nan 0.000 0.452 531 G N 4.726 113.585 108.800 0.097 0.000 3.031 531 G HA2 -0.347 3.615 3.960 0.003 0.000 0.289 531 G HA3 -0.347 3.615 3.960 0.003 0.000 0.289 531 G C 0.989 175.921 174.900 0.053 0.000 1.393 531 G CA 1.208 46.355 45.100 0.078 0.000 1.010 531 G HN 1.258 nan 8.290 nan 0.000 0.579 532 T N -1.265 113.314 114.554 0.042 0.000 2.975 532 T HA 0.470 4.822 4.350 0.003 0.000 0.257 532 T C 1.282 175.998 174.700 0.026 0.000 1.003 532 T CA 1.619 63.738 62.100 0.031 0.000 0.932 532 T CB 0.080 68.963 68.868 0.025 0.000 1.087 532 T HN 1.748 nan 8.240 nan 0.000 0.512 533 T N 0.306 114.881 114.554 0.035 0.000 2.824 533 T HA 0.612 4.964 4.350 0.003 0.000 0.277 533 T C -0.241 174.485 174.700 0.042 0.000 0.975 533 T CA -0.917 61.202 62.100 0.032 0.000 0.966 533 T CB 1.794 70.686 68.868 0.039 0.000 1.054 533 T HN 0.472 nan 8.240 nan 0.000 0.533 534 R N -0.174 120.349 120.500 0.039 0.000 2.668 534 R HA 0.640 4.982 4.340 0.003 0.000 0.272 534 R C -1.856 174.502 176.300 0.097 0.000 1.019 534 R CA -0.802 55.336 56.100 0.063 0.000 0.894 534 R CB 2.182 32.479 30.300 -0.005 0.000 1.228 534 R HN 0.900 nan 8.270 nan 0.000 0.460 535 V N -0.213 119.800 119.914 0.165 0.000 3.012 535 V HA 0.649 4.771 4.120 0.003 0.000 0.307 535 V C -2.768 173.465 176.094 0.231 0.000 1.166 535 V CA -2.164 60.242 62.300 0.177 0.000 0.974 535 V CB 2.060 33.955 31.823 0.120 0.000 1.040 535 V HN 0.740 nan 8.190 nan 0.000 0.428 536 P HA 0.030 nan 4.420 nan 0.000 0.263 536 P C -0.275 177.040 177.300 0.025 0.000 1.175 536 P CA 0.088 63.237 63.100 0.081 0.000 0.761 536 P CB 0.399 32.123 31.700 0.041 0.000 0.794 537 M N 3.963 123.537 119.600 -0.043 0.000 2.356 537 M HA 0.074 4.556 4.480 0.003 0.000 0.348 537 M C -0.537 175.738 176.300 -0.042 0.000 1.595 537 M CA 1.093 56.374 55.300 -0.033 0.000 1.095 537 M CB -0.687 31.874 32.600 -0.066 0.000 1.963 537 M HN 0.209 nan 8.290 nan 0.000 0.459 538 T N 5.047 119.584 114.554 -0.027 0.000 2.829 538 T HA 0.479 4.831 4.350 0.003 0.000 0.282 538 T C 1.388 176.060 174.700 -0.047 0.000 0.990 538 T CA -0.224 61.856 62.100 -0.034 0.000 1.028 538 T CB 1.490 70.344 68.868 -0.023 0.000 0.951 538 T HN 0.859 nan 8.240 nan 0.000 0.460 539 G N 3.589 112.360 108.800 -0.049 0.000 2.574 539 G HA2 -0.195 3.767 3.960 0.003 0.000 0.220 539 G HA3 -0.195 3.767 3.960 0.003 0.000 0.220 539 G C -1.018 173.847 174.900 -0.058 0.000 1.173 539 G CA 0.985 46.053 45.100 -0.053 0.000 0.772 539 G HN 0.537 nan 8.290 nan 0.000 0.585 540 P HA -0.041 nan 4.420 nan 0.000 0.214 540 P C 2.178 179.439 177.300 -0.065 0.000 1.163 540 P CA 1.199 64.262 63.100 -0.062 0.000 0.883 540 P CB -0.226 31.435 31.700 -0.065 0.000 0.788 541 V N 0.402 120.282 119.914 -0.056 0.000 2.568 541 V HA -0.258 3.863 4.120 0.003 0.000 0.253 541 V C 2.401 178.438 176.094 -0.096 0.000 1.072 541 V CA 1.744 64.010 62.300 -0.056 0.000 1.084 541 V CB -1.166 30.642 31.823 -0.026 0.000 0.676 541 V HN 0.208 nan 8.190 nan 0.000 0.469 542 K N -0.120 120.220 120.400 -0.100 0.000 2.155 542 K HA -0.155 4.166 4.320 0.003 0.000 0.203 542 K C 2.074 178.601 176.600 -0.121 0.000 1.052 542 K CA 1.081 57.290 56.287 -0.130 0.000 0.948 542 K CB 0.045 32.484 32.500 -0.102 0.000 0.728 542 K HN 0.374 nan 8.250 nan 0.000 0.448 543 E N 0.975 121.118 120.200 -0.096 0.000 2.152 543 E HA -0.114 4.238 4.350 0.003 0.000 0.192 543 E C 1.781 178.316 176.600 -0.108 0.000 0.983 543 E CA 0.653 56.999 56.400 -0.090 0.000 0.818 543 E CB 0.043 29.699 29.700 -0.073 0.000 0.758 543 E HN 0.210 nan 8.360 nan 0.000 0.467 544 K N 0.788 121.118 120.400 -0.116 0.000 2.002 544 K HA -0.073 4.249 4.320 0.003 0.000 0.209 544 K C 2.303 178.784 176.600 -0.197 0.000 1.048 544 K CA 0.794 56.993 56.287 -0.145 0.000 0.930 544 K CB -0.406 32.021 32.500 -0.122 0.000 0.714 544 K HN 0.143 nan 8.250 nan 0.000 0.438 545 I N 1.347 121.813 120.570 -0.173 0.000 2.163 545 I HA -0.334 3.838 4.170 0.003 0.000 0.243 545 I C 2.344 178.402 176.117 -0.098 0.000 1.085 545 I CA 1.221 62.446 61.300 -0.127 0.000 1.347 545 I CB -0.281 37.537 38.000 -0.303 0.000 1.044 545 I HN 0.130 nan 8.210 nan 0.000 0.408 546 L N 0.291 121.445 121.223 -0.115 0.000 2.046 546 L HA -0.193 4.149 4.340 0.003 0.000 0.208 546 L C 2.853 179.668 176.870 -0.093 0.000 1.077 546 L CA 1.677 56.468 54.840 -0.082 0.000 0.747 546 L CB -0.812 41.204 42.059 -0.071 0.000 0.896 546 L HN 0.392 nan 8.230 nan 0.000 0.432 547 S N -0.474 115.153 115.700 -0.121 0.000 2.368 547 S HA -0.148 4.323 4.470 0.003 0.000 0.225 547 S C 1.928 176.426 174.600 -0.170 0.000 1.030 547 S CA 1.249 59.376 58.200 -0.122 0.000 0.999 547 S CB -0.904 62.224 63.200 -0.120 0.000 0.844 547 S HN 0.169 nan 8.310 nan 0.000 0.459 548 V N 2.103 121.840 119.914 -0.294 0.000 2.407 548 V HA -0.096 4.026 4.120 0.003 0.000 0.248 548 V C 2.447 178.262 176.094 -0.465 0.000 1.055 548 V CA 1.693 63.697 62.300 -0.494 0.000 1.049 548 V CB -0.777 30.497 31.823 -0.915 0.000 0.662 548 V HN 0.481 nan 8.190 nan 0.000 0.455 549 I N -0.056 120.372 120.570 -0.235 0.000 2.179 549 I HA -0.287 3.885 4.170 0.003 0.000 0.242 549 I C 2.583 178.710 176.117 0.018 0.000 1.088 549 I CA 1.922 63.184 61.300 -0.062 0.000 1.357 549 I CB -0.391 37.624 38.000 0.025 0.000 1.051 549 I HN 0.269 nan 8.210 nan 0.000 0.409 550 K N 1.049 121.442 120.400 -0.011 0.000 2.063 550 K HA -0.276 4.046 4.320 0.003 0.000 0.208 550 K C 2.106 178.740 176.600 0.057 0.000 1.048 550 K CA 1.825 58.126 56.287 0.022 0.000 0.928 550 K CB -0.114 32.382 32.500 -0.006 0.000 0.713 550 K HN 0.323 nan 8.250 nan 0.000 0.442 551 E N -0.401 119.823 120.200 0.040 0.000 2.031 551 E HA -0.208 4.144 4.350 0.003 0.000 0.193 551 E C 1.638 178.407 176.600 0.281 0.000 0.994 551 E CA 1.413 57.882 56.400 0.115 0.000 0.800 551 E CB -0.148 29.596 29.700 0.074 0.000 0.752 551 E HN 0.414 nan 8.360 nan 0.000 0.447 552 W N 0.210 121.536 121.300 0.044 0.000 2.388 552 W HA 0.066 4.727 4.660 0.003 0.000 0.294 552 W C 2.378 178.925 176.519 0.047 0.000 1.212 552 W CA 1.207 58.585 57.345 0.055 0.000 1.271 552 W CB -1.134 28.383 29.460 0.094 0.000 1.126 552 W HN 0.257 nan 8.180 nan 0.000 0.535 553 G N -1.624 107.342 108.800 0.277 0.000 2.453 553 G HA2 -0.089 3.873 3.960 0.003 0.000 0.215 553 G HA3 -0.089 3.873 3.960 0.003 0.000 0.215 553 G C 1.306 176.274 174.900 0.114 0.000 1.147 553 G CA 1.302 46.505 45.100 0.172 0.000 0.802 553 G HN 0.198 nan 8.290 nan 0.000 0.535 554 T N 0.259 114.875 114.554 0.103 0.000 3.040 554 T HA 0.335 4.687 4.350 0.003 0.000 0.250 554 T C 1.380 176.118 174.700 0.062 0.000 1.058 554 T CA 0.278 62.419 62.100 0.067 0.000 0.988 554 T CB 0.677 69.573 68.868 0.046 0.000 0.993 554 T HN 0.325 nan 8.240 nan 0.000 0.519 555 G N 0.727 109.578 108.800 0.085 0.000 2.525 555 G HA2 0.279 4.240 3.960 0.003 0.000 0.287 555 G HA3 0.279 4.240 3.960 0.003 0.000 0.287 555 G C 0.651 175.582 174.900 0.052 0.000 1.350 555 G CA -0.702 44.440 45.100 0.070 0.000 1.039 555 G HN 0.202 nan 8.290 nan 0.000 0.513 556 R N -0.418 120.103 120.500 0.035 0.000 2.241 556 R HA -0.042 4.300 4.340 0.003 0.000 0.224 556 R C 1.420 177.723 176.300 0.004 0.000 1.101 556 R CA 1.110 57.220 56.100 0.017 0.000 0.995 556 R CB 0.028 30.332 30.300 0.008 0.000 0.870 556 R HN 0.463 nan 8.270 nan 0.000 0.463 557 D N 0.561 120.963 120.400 0.004 0.000 2.264 557 D HA -0.098 4.544 4.640 0.003 0.000 0.208 557 D C 0.616 176.909 176.300 -0.013 0.000 0.966 557 D CA 1.571 55.551 54.000 -0.033 0.000 0.864 557 D CB -0.254 40.492 40.800 -0.089 0.000 0.933 557 D HN 0.297 nan 8.370 nan 0.000 0.499 558 T N -0.916 113.653 114.554 0.025 0.000 3.639 558 T HA -0.253 4.099 4.350 0.003 0.000 0.386 558 T C 0.184 174.905 174.700 0.034 0.000 0.764 558 T CA 0.229 62.350 62.100 0.034 0.000 1.954 558 T CB -2.533 66.345 68.868 0.016 0.000 1.755 558 T HN 0.178 nan 8.240 nan 0.000 0.715 559 L N 0.048 121.307 121.223 0.060 0.000 2.343 559 L HA 0.565 4.906 4.340 0.003 0.000 0.275 559 L C 1.026 177.961 176.870 0.108 0.000 1.056 559 L CA -1.210 53.667 54.840 0.062 0.000 0.804 559 L CB 1.327 43.411 42.059 0.042 0.000 1.203 559 L HN 0.328 nan 8.230 nan 0.000 0.440 560 R N 1.682 122.235 120.500 0.088 0.000 2.216 560 R HA 0.374 4.716 4.340 0.003 0.000 0.332 560 R C -1.243 175.136 176.300 0.132 0.000 1.056 560 R CA -0.453 55.706 56.100 0.098 0.000 0.901 560 R CB 0.591 30.932 30.300 0.068 0.000 1.039 560 R HN 0.650 nan 8.270 nan 0.000 0.456 561 C N 5.094 124.490 119.300 0.160 0.000 2.365 561 C HA 0.532 4.994 4.460 0.003 0.000 0.351 561 C C -0.724 174.350 174.990 0.140 0.000 1.240 561 C CA -0.798 58.332 59.018 0.186 0.000 2.062 561 C CB 0.773 28.649 27.740 0.225 0.000 2.387 561 C HN 0.618 nan 8.230 nan 0.000 0.537 562 L N 2.643 123.941 121.223 0.125 0.000 2.385 562 L HA 0.703 5.044 4.340 0.003 0.000 0.273 562 L C 0.248 177.165 176.870 0.077 0.000 0.990 562 L CA -0.284 54.615 54.840 0.099 0.000 0.821 562 L CB 1.405 43.509 42.059 0.077 0.000 1.279 562 L HN 0.851 nan 8.230 nan 0.000 0.412 563 A N 5.019 127.895 122.820 0.093 0.000 2.301 563 A HA 0.818 5.140 4.320 0.003 0.000 0.312 563 A C -0.959 176.644 177.584 0.031 0.000 1.182 563 A CA -0.412 51.688 52.037 0.103 0.000 0.826 563 A CB 0.426 19.535 19.000 0.183 0.000 1.134 563 A HN 0.636 nan 8.150 nan 0.000 0.501 564 L N 1.780 122.950 121.223 -0.089 0.000 2.333 564 L HA 0.767 5.108 4.340 0.003 0.000 0.280 564 L C 0.221 176.992 176.870 -0.165 0.000 1.004 564 L CA -0.303 54.463 54.840 -0.123 0.000 0.820 564 L CB 1.743 43.690 42.059 -0.187 0.000 1.247 564 L HN 0.845 nan 8.230 nan 0.000 0.416 565 A N 1.632 124.433 122.820 -0.031 0.000 2.594 565 A HA 0.926 5.248 4.320 0.003 0.000 0.291 565 A C -0.658 176.969 177.584 0.073 0.000 1.105 565 A CA -0.520 51.521 52.037 0.007 0.000 0.694 565 A CB 2.226 21.271 19.000 0.075 0.000 1.291 565 A HN 0.608 nan 8.150 nan 0.000 0.410 566 T N -1.182 113.414 114.554 0.071 0.000 2.886 566 T HA 0.623 4.975 4.350 0.003 0.000 0.292 566 T C -0.602 174.090 174.700 -0.015 0.000 1.012 566 T CA -0.658 61.471 62.100 0.047 0.000 0.982 566 T CB 1.490 70.432 68.868 0.123 0.000 1.018 566 T HN 0.714 nan 8.240 nan 0.000 0.451 567 R N 2.426 122.871 120.500 -0.092 0.000 2.248 567 R HA 0.140 4.482 4.340 0.003 0.000 0.337 567 R C 0.154 176.373 176.300 -0.135 0.000 1.106 567 R CA -0.415 55.646 56.100 -0.066 0.000 0.959 567 R CB 0.168 30.427 30.300 -0.067 0.000 1.075 567 R HN 0.709 nan 8.270 nan 0.000 0.480 568 D N 1.622 121.967 120.400 -0.092 0.000 2.116 568 D HA -0.117 4.525 4.640 0.003 0.000 0.193 568 D C 0.002 176.220 176.300 -0.137 0.000 0.998 568 D CA 1.713 55.638 54.000 -0.125 0.000 0.836 568 D CB 0.337 41.060 40.800 -0.128 0.000 0.951 568 D HN 0.419 nan 8.370 nan 0.000 0.449 569 T N 3.529 118.024 114.554 -0.098 0.000 3.254 569 T HA 0.250 4.602 4.350 0.003 0.000 0.385 569 T C -2.336 172.329 174.700 -0.059 0.000 1.528 569 T CA -1.297 60.757 62.100 -0.077 0.000 1.212 569 T CB 1.908 70.752 68.868 -0.041 0.000 1.145 569 T HN 0.049 nan 8.240 nan 0.000 0.631 570 P HA 0.238 nan 4.420 nan 0.000 0.272 570 P C -2.495 174.829 177.300 0.040 0.000 1.223 570 P CA -1.341 61.712 63.100 -0.079 0.000 0.784 570 P CB 0.008 31.526 31.700 -0.303 0.000 0.923 571 P HA 0.050 nan 4.420 nan 0.000 0.270 571 P C -0.068 177.308 177.300 0.127 0.000 1.223 571 P CA 0.006 63.168 63.100 0.104 0.000 0.785 571 P CB 0.508 32.273 31.700 0.109 0.000 0.923 572 K N 1.341 121.789 120.400 0.079 0.000 2.524 572 K HA -0.092 4.230 4.320 0.003 0.000 0.279 572 K C 1.466 178.079 176.600 0.022 0.000 0.993 572 K CA 0.158 56.484 56.287 0.064 0.000 1.030 572 K CB 0.305 32.825 32.500 0.033 0.000 0.891 572 K HN 0.360 nan 8.250 nan 0.000 0.488 573 R N 3.309 123.808 120.500 -0.001 0.000 2.105 573 R HA -0.185 4.157 4.340 0.003 0.000 0.239 573 R C 1.013 177.217 176.300 -0.161 0.000 1.135 573 R CA 1.966 57.967 56.100 -0.165 0.000 0.967 573 R CB -0.053 30.128 30.300 -0.198 0.000 0.861 573 R HN 0.646 nan 8.270 nan 0.000 0.442 574 E N 0.407 120.554 120.200 -0.088 0.000 2.204 574 E HA -0.099 4.253 4.350 0.003 0.000 0.194 574 E C 1.117 177.676 176.600 -0.068 0.000 0.989 574 E CA 1.023 57.376 56.400 -0.079 0.000 0.824 574 E CB -0.089 29.586 29.700 -0.043 0.000 0.756 574 E HN 0.306 nan 8.360 nan 0.000 0.477 575 E N 0.031 120.202 120.200 -0.048 0.000 2.485 575 E HA 0.086 4.438 4.350 0.003 0.000 0.194 575 E C -0.022 176.560 176.600 -0.030 0.000 1.098 575 E CA 0.339 56.731 56.400 -0.014 0.000 0.878 575 E CB -0.247 29.467 29.700 0.023 0.000 0.939 575 E HN 0.378 nan 8.360 nan 0.000 0.503 576 M N 0.123 119.640 119.600 -0.139 0.000 2.456 576 M HA 0.322 4.804 4.480 0.003 0.000 0.324 576 M C -0.665 175.549 176.300 -0.144 0.000 1.124 576 M CA -0.815 54.329 55.300 -0.259 0.000 0.959 576 M CB 2.877 35.118 32.600 -0.597 0.000 1.692 576 M HN -0.362 nan 8.290 nan 0.000 0.444 577 V N 4.625 124.580 119.914 0.068 0.000 2.334 577 V HA 0.238 4.360 4.120 0.003 0.000 0.281 577 V C 0.668 176.868 176.094 0.176 0.000 1.016 577 V CA -0.437 61.912 62.300 0.082 0.000 0.832 577 V CB 1.158 33.052 31.823 0.119 0.000 0.999 577 V HN 0.823 nan 8.190 nan 0.000 0.439 578 L N 1.836 123.069 121.223 0.017 0.000 2.650 578 L HA 0.126 4.468 4.340 0.003 0.000 0.235 578 L C 1.095 178.108 176.870 0.238 0.000 1.149 578 L CA 0.518 55.417 54.840 0.099 0.000 0.887 578 L CB -0.317 41.629 42.059 -0.188 0.000 1.021 578 L HN 0.598 nan 8.230 nan 0.000 0.441 579 D N -0.405 120.072 120.400 0.127 0.000 2.388 579 D HA 0.008 4.650 4.640 0.003 0.000 0.208 579 D C 0.143 176.308 176.300 -0.226 0.000 1.035 579 D CA 0.496 54.524 54.000 0.046 0.000 0.875 579 D CB 0.492 41.328 40.800 0.060 0.000 0.984 579 D HN 0.366 nan 8.370 nan 0.000 0.508 580 D N 1.577 121.855 120.400 -0.204 0.000 2.499 580 D HA 0.032 4.674 4.640 0.003 0.000 0.225 580 D C 1.316 177.158 176.300 -0.764 0.000 1.124 580 D CA 0.004 53.786 54.000 -0.364 0.000 0.938 580 D CB 1.272 41.963 40.800 -0.183 0.000 1.014 580 D HN -0.067 nan 8.370 nan 0.000 0.517 581 S N 0.755 115.739 115.700 -1.193 0.000 2.461 581 S HA -0.274 4.198 4.470 0.003 0.000 0.246 581 S C 1.912 175.848 174.600 -1.107 0.000 1.007 581 S CA 1.278 58.380 58.200 -1.830 0.000 0.976 581 S CB -0.297 62.341 63.200 -0.937 0.000 0.763 581 S HN 0.414 nan 8.310 nan 0.000 0.508 582 S N 2.052 117.381 115.700 -0.619 0.000 2.447 582 S HA 0.004 4.475 4.470 0.003 0.000 0.233 582 S C 1.702 176.105 174.600 -0.327 0.000 1.006 582 S CA 0.287 58.272 58.200 -0.358 0.000 0.957 582 S CB -0.442 62.618 63.200 -0.234 0.000 0.773 582 S HN 0.663 nan 8.310 nan 0.000 0.507 583 R N -0.583 119.676 120.500 -0.401 0.000 2.317 583 R HA 0.277 4.618 4.340 0.003 0.000 0.208 583 R C 0.897 176.839 176.300 -0.596 0.000 0.914 583 R CA -0.037 55.770 56.100 -0.487 0.000 1.060 583 R CB -0.180 29.803 30.300 -0.528 0.000 1.015 583 R HN 0.355 nan 8.270 nan 0.000 0.498 584 F N 1.160 120.889 119.950 -0.369 0.000 2.146 584 F HA -0.118 4.411 4.527 0.003 0.000 0.298 584 F C 2.324 178.068 175.800 -0.092 0.000 1.096 584 F CA 0.777 58.706 58.000 -0.119 0.000 1.275 584 F CB -0.753 38.264 39.000 0.027 0.000 1.008 584 F HN -0.004 nan 8.300 nan 0.000 0.480 585 M N 0.462 120.104 119.600 0.069 0.000 2.065 585 M HA -0.267 4.215 4.480 0.003 0.000 0.259 585 M C 2.377 178.686 176.300 0.014 0.000 1.069 585 M CA 2.226 57.544 55.300 0.030 0.000 1.110 585 M CB -0.458 32.132 32.600 -0.017 0.000 1.328 585 M HN 0.263 nan 8.290 nan 0.000 0.405 586 E N -0.521 119.634 120.200 -0.074 0.000 2.114 586 E HA -0.272 4.080 4.350 0.003 0.000 0.199 586 E C 1.629 178.270 176.600 0.069 0.000 1.008 586 E CA 1.908 58.274 56.400 -0.058 0.000 0.810 586 E CB -0.454 29.152 29.700 -0.158 0.000 0.739 586 E HN 0.662 nan 8.360 nan 0.000 0.456 587 Y N 1.022 121.391 120.300 0.115 0.000 2.293 587 Y HA -0.008 4.543 4.550 0.003 0.000 0.291 587 Y C 1.048 176.994 175.900 0.077 0.000 1.137 587 Y CA 0.952 59.117 58.100 0.109 0.000 1.202 587 Y CB -0.208 38.333 38.460 0.136 0.000 0.990 587 Y HN 0.110 nan 8.280 nan 0.000 0.537 588 E N 0.500 120.827 120.200 0.212 0.000 2.325 588 E HA 0.168 4.520 4.350 0.003 0.000 0.295 588 E C -0.281 176.378 176.600 0.097 0.000 1.461 588 E CA -0.043 56.434 56.400 0.128 0.000 1.698 588 E CB -0.075 29.689 29.700 0.107 0.000 1.496 588 E HN 0.104 nan 8.360 nan 0.000 0.474 589 T N -0.120 114.496 114.554 0.102 0.000 2.926 589 T HA 0.135 4.487 4.350 0.003 0.000 0.289 589 T C -0.093 174.661 174.700 0.090 0.000 1.054 589 T CA -0.726 61.423 62.100 0.081 0.000 1.015 589 T CB 1.125 70.037 68.868 0.073 0.000 1.167 589 T HN 0.208 nan 8.240 nan 0.000 0.526 590 D N 0.603 121.053 120.400 0.083 0.000 2.699 590 D HA -0.131 4.510 4.640 0.003 0.000 0.239 590 D C -0.457 175.952 176.300 0.182 0.000 1.136 590 D CA 0.476 54.553 54.000 0.128 0.000 0.668 590 D CB -1.286 39.608 40.800 0.157 0.000 1.060 590 D HN 0.343 nan 8.370 nan 0.000 0.429 591 L N -0.708 120.600 121.223 0.142 0.000 2.454 591 L HA 0.530 4.872 4.340 0.003 0.000 0.256 591 L C 1.037 178.037 176.870 0.218 0.000 1.136 591 L CA -0.460 54.469 54.840 0.149 0.000 0.804 591 L CB 1.217 43.345 42.059 0.115 0.000 1.181 591 L HN -0.055 nan 8.230 nan 0.000 0.469 592 T N 0.800 115.465 114.554 0.185 0.000 2.786 592 T HA 0.288 4.640 4.350 0.003 0.000 0.283 592 T C -0.612 174.195 174.700 0.179 0.000 0.992 592 T CA -0.310 61.918 62.100 0.213 0.000 0.954 592 T CB 0.729 69.684 68.868 0.145 0.000 0.934 592 T HN 0.230 nan 8.240 nan 0.000 0.440 593 F N 4.642 124.642 119.950 0.083 0.000 2.506 593 F HA 0.300 4.829 4.527 0.003 0.000 0.371 593 F C 0.781 176.605 175.800 0.039 0.000 1.078 593 F CA -0.006 58.023 58.000 0.048 0.000 1.195 593 F CB 0.419 39.445 39.000 0.044 0.000 1.099 593 F HN 0.350 nan 8.300 nan 0.000 0.548 594 V N 5.164 124.605 119.914 -0.788 0.000 2.521 594 V HA 0.442 4.563 4.120 0.003 0.000 0.239 594 V C 1.179 176.652 176.094 -1.035 0.000 1.053 594 V CA 1.010 62.938 62.300 -0.621 0.000 1.073 594 V CB -0.219 31.398 31.823 -0.343 0.000 0.746 594 V HN 0.997 nan 8.190 nan 0.000 0.476 595 G N -1.046 106.899 108.800 -1.424 0.000 2.490 595 G HA2 0.529 4.490 3.960 0.003 0.000 0.308 595 G HA3 0.529 4.490 3.960 0.003 0.000 0.308 595 G C -2.135 172.337 174.900 -0.713 0.000 1.286 595 G CA -0.065 44.386 45.100 -1.080 0.000 0.825 595 G HN 0.021 nan 8.290 nan 0.000 0.479 596 V N -0.177 119.377 119.914 -0.599 0.000 2.888 596 V HA 0.745 4.866 4.120 0.003 0.000 0.309 596 V C -0.373 175.651 176.094 -0.117 0.000 1.114 596 V CA -0.629 61.458 62.300 -0.356 0.000 0.940 596 V CB 1.778 33.267 31.823 -0.557 0.000 1.021 596 V HN 1.445 nan 8.190 nan 0.000 0.426 597 V N 0.360 120.306 119.914 0.053 0.000 2.656 597 V HA 1.030 5.152 4.120 0.003 0.000 0.307 597 V C 0.080 176.311 176.094 0.229 0.000 1.051 597 V CA -0.433 61.952 62.300 0.142 0.000 0.893 597 V CB 1.663 33.505 31.823 0.032 0.000 0.999 597 V HN 1.059 nan 8.190 nan 0.000 0.426 598 G N 5.559 114.512 108.800 0.255 0.000 2.487 598 G HA2 0.673 4.635 3.960 0.003 0.000 0.314 598 G HA3 0.673 4.635 3.960 0.003 0.000 0.314 598 G C -0.598 174.321 174.900 0.033 0.000 1.267 598 G CA -0.854 44.368 45.100 0.203 0.000 0.937 598 G HN 1.164 nan 8.290 nan 0.000 0.481 599 M N 1.665 121.290 119.600 0.042 0.000 2.644 599 M HA 0.858 5.340 4.480 0.003 0.000 0.316 599 M C -1.528 174.768 176.300 -0.006 0.000 1.200 599 M CA -1.156 54.145 55.300 0.003 0.000 0.944 599 M CB 2.412 35.024 32.600 0.020 0.000 1.691 599 M HN 0.316 nan 8.290 nan 0.000 0.471 600 L N 1.632 122.837 121.223 -0.030 0.000 2.365 600 L HA 0.556 4.897 4.340 0.003 0.000 0.273 600 L C -1.503 175.347 176.870 -0.033 0.000 1.000 600 L CA 0.114 54.934 54.840 -0.034 0.000 0.819 600 L CB 1.881 43.906 42.059 -0.056 0.000 1.284 600 L HN 0.842 nan 8.230 nan 0.000 0.418 601 D N 6.432 126.819 120.400 -0.022 0.000 2.479 601 D HA 0.340 4.982 4.640 0.003 0.000 0.247 601 D C -2.508 173.774 176.300 -0.029 0.000 1.119 601 D CA -2.026 51.961 54.000 -0.022 0.000 0.922 601 D CB 0.920 41.717 40.800 -0.005 0.000 1.014 601 D HN 0.291 nan 8.370 nan 0.000 0.510 602 P HA 0.096 nan 4.420 nan 0.000 0.262 602 P C -2.556 174.724 177.300 -0.032 0.000 1.182 602 P CA -0.939 62.137 63.100 -0.040 0.000 0.761 602 P CB 0.231 31.901 31.700 -0.050 0.000 0.795 603 P HA 0.178 nan 4.420 nan 0.000 0.269 603 P C 0.222 177.510 177.300 -0.019 0.000 1.209 603 P CA 0.024 63.104 63.100 -0.033 0.000 0.776 603 P CB 0.370 32.046 31.700 -0.040 0.000 0.876 604 R N 2.324 122.820 120.500 -0.006 0.000 2.638 604 R HA -0.069 4.273 4.340 0.003 0.000 0.268 604 R C 1.665 177.972 176.300 0.011 0.000 1.006 604 R CA 0.551 56.658 56.100 0.012 0.000 1.088 604 R CB -0.007 30.318 30.300 0.042 0.000 0.950 604 R HN 0.484 nan 8.270 nan 0.000 0.419 605 K N 1.405 121.811 120.400 0.009 0.000 2.442 605 K HA -0.159 4.163 4.320 0.003 0.000 0.198 605 K C 0.054 176.665 176.600 0.018 0.000 1.044 605 K CA 1.662 57.954 56.287 0.008 0.000 0.948 605 K CB 0.162 32.664 32.500 0.004 0.000 0.762 605 K HN 0.491 nan 8.250 nan 0.000 0.472 606 E N 0.681 120.902 120.200 0.035 0.000 2.473 606 E HA -0.032 4.320 4.350 0.003 0.000 0.204 606 E C 1.811 178.458 176.600 0.079 0.000 0.994 606 E CA 0.463 56.892 56.400 0.048 0.000 0.945 606 E CB 0.478 30.207 29.700 0.048 0.000 0.990 606 E HN 0.237 nan 8.360 nan 0.000 0.493 607 V N -0.884 119.083 119.914 0.087 0.000 2.392 607 V HA -0.301 3.820 4.120 0.003 0.000 0.249 607 V C 2.044 178.176 176.094 0.063 0.000 1.059 607 V CA 1.510 63.877 62.300 0.113 0.000 1.051 607 V CB -0.671 31.160 31.823 0.012 0.000 0.658 607 V HN 0.183 nan 8.190 nan 0.000 0.455 608 M N 1.280 120.895 119.600 0.025 0.000 2.065 608 M HA -0.079 4.403 4.480 0.003 0.000 0.259 608 M C 2.448 178.768 176.300 0.034 0.000 1.069 608 M CA 2.433 57.741 55.300 0.012 0.000 1.110 608 M CB -1.464 31.139 32.600 0.004 0.000 1.328 608 M HN 0.563 nan 8.290 nan 0.000 0.405 609 G N 0.022 108.847 108.800 0.042 0.000 2.453 609 G HA2 -0.196 3.765 3.960 0.003 0.000 0.215 609 G HA3 -0.196 3.765 3.960 0.003 0.000 0.215 609 G C 1.618 176.556 174.900 0.064 0.000 1.201 609 G CA 1.254 46.380 45.100 0.042 0.000 0.784 609 G HN 0.481 nan 8.290 nan 0.000 0.545 610 S N 0.793 116.553 115.700 0.099 0.000 2.370 610 S HA -0.105 4.367 4.470 0.003 0.000 0.226 610 S C 2.280 176.996 174.600 0.193 0.000 1.033 610 S CA 1.034 59.312 58.200 0.129 0.000 1.011 610 S CB -0.203 63.096 63.200 0.165 0.000 0.852 610 S HN 0.273 nan 8.310 nan 0.000 0.457 611 I N 1.651 122.356 120.570 0.225 0.000 2.208 611 I HA -0.159 4.013 4.170 0.003 0.000 0.245 611 I C 2.696 178.865 176.117 0.087 0.000 1.097 611 I CA 1.343 62.740 61.300 0.162 0.000 1.363 611 I CB -1.176 36.836 38.000 0.020 0.000 1.051 611 I HN 0.322 nan 8.210 nan 0.000 0.413 612 Q N 0.652 120.487 119.800 0.059 0.000 2.084 612 Q HA -0.120 4.221 4.340 0.003 0.000 0.202 612 Q C 2.448 178.469 176.000 0.036 0.000 0.978 612 Q CA 1.272 57.096 55.803 0.036 0.000 0.844 612 Q CB -0.368 28.386 28.738 0.027 0.000 0.898 612 Q HN 0.500 nan 8.270 nan 0.000 0.426 613 L N -0.409 120.839 121.223 0.041 0.000 2.079 613 L HA -0.272 4.069 4.340 0.003 0.000 0.210 613 L C 2.579 179.465 176.870 0.026 0.000 1.081 613 L CA 1.053 55.909 54.840 0.026 0.000 0.752 613 L CB -0.307 41.762 42.059 0.017 0.000 0.896 613 L HN 0.273 nan 8.230 nan 0.000 0.433 614 C N -0.573 118.756 119.300 0.047 0.000 2.425 614 C HA -0.136 4.326 4.460 0.003 0.000 0.277 614 C C 2.791 177.802 174.990 0.034 0.000 1.280 614 C CA 0.580 59.626 59.018 0.046 0.000 1.744 614 C CB -1.076 26.721 27.740 0.095 0.000 1.989 614 C HN 0.464 nan 8.230 nan 0.000 0.491 615 R N 0.898 121.417 120.500 0.032 0.000 2.092 615 R HA -0.088 4.254 4.340 0.003 0.000 0.231 615 R C 1.592 177.902 176.300 0.016 0.000 1.119 615 R CA 1.378 57.491 56.100 0.022 0.000 0.970 615 R CB -0.397 29.915 30.300 0.019 0.000 0.864 615 R HN 0.502 nan 8.270 nan 0.000 0.440 616 D N 0.805 121.214 120.400 0.016 0.000 2.178 616 D HA -0.077 4.564 4.640 0.003 0.000 0.202 616 D C 1.403 177.708 176.300 0.008 0.000 0.974 616 D CA 1.274 55.281 54.000 0.011 0.000 0.841 616 D CB 0.012 40.818 40.800 0.010 0.000 0.953 616 D HN 0.271 nan 8.370 nan 0.000 0.478 617 A N -0.463 122.363 122.820 0.009 0.000 2.275 617 A HA 0.448 4.770 4.320 0.003 0.000 0.212 617 A C 1.687 179.275 177.584 0.006 0.000 1.201 617 A CA 0.822 52.863 52.037 0.006 0.000 0.843 617 A CB -0.105 18.896 19.000 0.002 0.000 0.873 617 A HN 0.195 nan 8.150 nan 0.000 0.492 618 G N -0.394 108.411 108.800 0.009 0.000 2.153 618 G HA2 -0.237 3.725 3.960 0.003 0.000 0.252 618 G HA3 -0.237 3.725 3.960 0.003 0.000 0.252 618 G C 0.027 174.934 174.900 0.012 0.000 0.994 618 G CA 0.454 45.560 45.100 0.009 0.000 0.698 618 G HN 0.545 nan 8.290 nan 0.000 0.521 619 I N 0.589 121.169 120.570 0.017 0.000 2.315 619 I HA 0.356 4.528 4.170 0.003 0.000 0.291 619 I C 1.067 177.205 176.117 0.035 0.000 1.006 619 I CA -0.838 60.475 61.300 0.023 0.000 1.265 619 I CB 1.133 39.145 38.000 0.020 0.000 1.387 619 I HN 0.018 nan 8.210 nan 0.000 0.475 620 R N 4.554 125.074 120.500 0.034 0.000 2.539 620 R HA 0.506 4.848 4.340 0.003 0.000 0.275 620 R C -1.063 175.268 176.300 0.052 0.000 1.077 620 R CA -0.326 55.794 56.100 0.033 0.000 1.097 620 R CB 1.260 31.579 30.300 0.031 0.000 1.018 620 R HN 0.415 nan 8.270 nan 0.000 0.483 621 V N 6.108 126.040 119.914 0.029 0.000 2.444 621 V HA 0.404 4.526 4.120 0.003 0.000 0.294 621 V C -0.077 175.995 176.094 -0.037 0.000 1.022 621 V CA -0.596 61.725 62.300 0.035 0.000 0.850 621 V CB 1.715 33.552 31.823 0.023 0.000 0.992 621 V HN 0.613 nan 8.190 nan 0.000 0.426 622 I N 5.330 125.903 120.570 0.005 0.000 2.406 622 I HA 0.476 4.648 4.170 0.003 0.000 0.290 622 I C -0.121 175.990 176.117 -0.010 0.000 0.999 622 I CA -0.401 60.899 61.300 0.000 0.000 1.124 622 I CB 1.827 39.895 38.000 0.114 0.000 1.289 622 I HN 0.574 nan 8.210 nan 0.000 0.441 623 M N 7.440 126.998 119.600 -0.070 0.000 2.188 623 M HA 0.517 4.998 4.480 0.003 0.000 0.357 623 M C -1.350 174.972 176.300 0.037 0.000 1.204 623 M CA -0.158 55.104 55.300 -0.063 0.000 1.095 623 M CB 0.999 33.518 32.600 -0.134 0.000 1.604 623 M HN 0.506 nan 8.290 nan 0.000 0.464 624 I N 4.333 124.933 120.570 0.049 0.000 2.382 624 I HA 0.344 4.516 4.170 0.003 0.000 0.286 624 I C -0.300 175.849 176.117 0.055 0.000 1.002 624 I CA -0.363 60.992 61.300 0.092 0.000 1.135 624 I CB 1.927 39.971 38.000 0.074 0.000 1.288 624 I HN 0.685 nan 8.210 nan 0.000 0.448 625 T N 2.882 117.476 114.554 0.067 0.000 2.896 625 T HA 0.501 4.853 4.350 0.003 0.000 0.297 625 T C 0.755 175.493 174.700 0.062 0.000 1.108 625 T CA -0.302 61.827 62.100 0.048 0.000 1.004 625 T CB 1.823 70.709 68.868 0.031 0.000 1.159 625 T HN 0.691 nan 8.240 nan 0.000 0.499 626 G N 1.213 110.042 108.800 0.049 0.000 3.042 626 G HA2 0.164 4.126 3.960 0.003 0.000 0.212 626 G HA3 0.164 4.126 3.960 0.003 0.000 0.212 626 G C 0.309 175.246 174.900 0.061 0.000 1.166 626 G CA -0.133 45.000 45.100 0.056 0.000 0.767 626 G HN 0.704 nan 8.290 nan 0.000 0.546 627 D N 1.245 121.678 120.400 0.055 0.000 2.362 627 D HA 0.026 4.668 4.640 0.003 0.000 0.238 627 D C 0.529 176.870 176.300 0.070 0.000 1.212 627 D CA 0.049 54.084 54.000 0.058 0.000 0.902 627 D CB 0.762 41.592 40.800 0.049 0.000 1.180 627 D HN 0.307 nan 8.370 nan 0.000 0.445 628 N N 0.060 118.803 118.700 0.071 0.000 2.354 628 N HA -0.059 4.683 4.740 0.003 0.000 0.246 628 N C 0.693 176.241 175.510 0.064 0.000 1.285 628 N CA -0.349 52.745 53.050 0.073 0.000 0.925 628 N CB 0.877 39.406 38.487 0.071 0.000 1.174 628 N HN 0.299 nan 8.380 nan 0.000 0.478 629 K N -0.098 120.338 120.400 0.060 0.000 2.059 629 K HA -0.188 4.134 4.320 0.003 0.000 0.212 629 K C 1.810 178.431 176.600 0.034 0.000 1.050 629 K CA 1.962 58.276 56.287 0.044 0.000 0.927 629 K CB -0.933 31.584 32.500 0.028 0.000 0.714 629 K HN 0.742 nan 8.250 nan 0.000 0.447 630 G N -0.112 108.707 108.800 0.032 0.000 2.480 630 G HA2 -0.269 3.692 3.960 0.003 0.000 0.216 630 G HA3 -0.269 3.692 3.960 0.003 0.000 0.216 630 G C 1.439 176.365 174.900 0.042 0.000 1.200 630 G CA 1.578 46.695 45.100 0.029 0.000 0.782 630 G HN 0.361 nan 8.290 nan 0.000 0.554 631 T N 1.635 116.220 114.554 0.052 0.000 2.833 631 T HA 0.053 4.405 4.350 0.003 0.000 0.269 631 T C 2.747 177.477 174.700 0.049 0.000 1.054 631 T CA 1.415 63.548 62.100 0.055 0.000 1.135 631 T CB -0.323 68.582 68.868 0.062 0.000 0.869 631 T HN 0.405 nan 8.240 nan 0.000 0.466 632 A N 1.303 124.153 122.820 0.050 0.000 1.877 632 A HA -0.031 4.290 4.320 0.003 0.000 0.216 632 A C 2.270 179.895 177.584 0.068 0.000 1.186 632 A CA 1.213 53.279 52.037 0.048 0.000 0.620 632 A CB -0.730 18.302 19.000 0.053 0.000 0.822 632 A HN 0.518 nan 8.150 nan 0.000 0.443 633 I N -0.336 120.289 120.570 0.091 0.000 2.226 633 I HA -0.265 3.907 4.170 0.003 0.000 0.245 633 I C 2.958 179.157 176.117 0.136 0.000 1.100 633 I CA 1.010 62.406 61.300 0.160 0.000 1.374 633 I CB -0.344 37.697 38.000 0.068 0.000 1.057 633 I HN 0.363 nan 8.210 nan 0.000 0.413 634 A N 0.916 123.781 122.820 0.075 0.000 1.978 634 A HA -0.168 4.153 4.320 0.003 0.000 0.220 634 A C 2.268 179.880 177.584 0.046 0.000 1.170 634 A CA 1.456 53.528 52.037 0.058 0.000 0.636 634 A CB -0.742 18.286 19.000 0.048 0.000 0.810 634 A HN 0.422 nan 8.150 nan 0.000 0.448 635 I N -1.106 119.484 120.570 0.034 0.000 2.353 635 I HA -0.239 3.933 4.170 0.003 0.000 0.248 635 I C 2.352 178.456 176.117 -0.022 0.000 1.119 635 I CA 0.706 62.006 61.300 0.000 0.000 1.417 635 I CB -0.456 37.536 38.000 -0.013 0.000 1.078 635 I HN 0.358 nan 8.210 nan 0.000 0.421 636 C N 0.821 120.116 119.300 -0.008 0.000 2.446 636 C HA -0.100 4.362 4.460 0.003 0.000 0.277 636 C C 2.927 177.915 174.990 -0.003 0.000 1.275 636 C CA 0.735 59.701 59.018 -0.086 0.000 1.727 636 C CB -1.098 26.539 27.740 -0.171 0.000 2.010 636 C HN 0.423 nan 8.230 nan 0.000 0.486 637 R N 0.420 120.990 120.500 0.115 0.000 2.096 637 R HA -0.126 4.216 4.340 0.003 0.000 0.235 637 R C 2.408 178.732 176.300 0.039 0.000 1.127 637 R CA 1.296 57.463 56.100 0.111 0.000 0.968 637 R CB -0.384 29.976 30.300 0.100 0.000 0.861 637 R HN 0.549 nan 8.270 nan 0.000 0.440 638 R N 1.744 122.254 120.500 0.017 0.000 2.075 638 R HA -0.086 4.256 4.340 0.003 0.000 0.232 638 R C 2.126 178.413 176.300 -0.022 0.000 1.126 638 R CA 1.555 57.653 56.100 -0.003 0.000 0.963 638 R CB -0.195 30.101 30.300 -0.007 0.000 0.858 638 R HN 0.373 nan 8.270 nan 0.000 0.435 639 I N -3.285 117.258 120.570 -0.046 0.000 3.684 639 I HA 0.383 4.554 4.170 0.003 0.000 0.304 639 I C 0.776 176.855 176.117 -0.064 0.000 1.278 639 I CA 0.643 61.903 61.300 -0.067 0.000 1.272 639 I CB 0.604 38.535 38.000 -0.115 0.000 1.029 639 I HN 0.337 nan 8.210 nan 0.000 0.458 640 G N 1.644 110.415 108.800 -0.048 0.000 2.141 640 G HA2 -0.218 3.744 3.960 0.003 0.000 0.231 640 G HA3 -0.218 3.744 3.960 0.003 0.000 0.231 640 G C 0.597 175.457 174.900 -0.065 0.000 0.984 640 G CA 0.262 45.342 45.100 -0.033 0.000 0.660 640 G HN 0.300 nan 8.290 nan 0.000 0.525 641 I N -0.422 120.057 120.570 -0.152 0.000 2.252 641 I HA 0.208 4.379 4.170 0.003 0.000 0.245 641 I C 1.109 177.071 176.117 -0.258 0.000 1.102 641 I CA 0.961 62.085 61.300 -0.292 0.000 1.385 641 I CB -0.794 36.890 38.000 -0.527 0.000 1.064 641 I HN 0.136 nan 8.210 nan 0.000 0.414 642 F N -0.001 119.925 119.950 -0.040 0.000 2.538 642 F HA 0.621 5.150 4.527 0.003 0.000 0.325 642 F C 0.997 176.779 175.800 -0.030 0.000 1.066 642 F CA -1.641 56.337 58.000 -0.037 0.000 0.946 642 F CB 0.911 39.884 39.000 -0.045 0.000 1.199 642 F HN -0.179 nan 8.300 nan 0.000 0.473 643 G N 0.444 109.359 108.800 0.192 0.000 2.432 643 G HA2 0.171 4.133 3.960 0.003 0.000 0.257 643 G HA3 0.171 4.133 3.960 0.003 0.000 0.257 643 G C 0.743 175.681 174.900 0.063 0.000 1.238 643 G CA -0.295 44.857 45.100 0.087 0.000 0.838 643 G HN 0.856 nan 8.290 nan 0.000 0.547 644 E N 1.164 121.388 120.200 0.040 0.000 2.169 644 E HA -0.223 4.129 4.350 0.003 0.000 0.202 644 E C 0.972 177.574 176.600 0.003 0.000 1.016 644 E CA 1.720 58.135 56.400 0.024 0.000 0.817 644 E CB 0.124 29.833 29.700 0.014 0.000 0.736 644 E HN 0.568 nan 8.360 nan 0.000 0.462 645 N N 0.416 119.112 118.700 -0.007 0.000 2.197 645 N HA 0.025 4.767 4.740 0.003 0.000 0.228 645 N C -0.692 174.790 175.510 -0.046 0.000 1.212 645 N CA 0.071 53.105 53.050 -0.027 0.000 0.883 645 N CB 0.595 39.069 38.487 -0.020 0.000 1.107 645 N HN 0.342 nan 8.380 nan 0.000 0.519 646 E N 0.662 120.831 120.200 -0.051 0.000 2.374 646 E HA 0.188 4.540 4.350 0.003 0.000 0.260 646 E C -0.396 176.115 176.600 -0.148 0.000 1.101 646 E CA -0.398 55.956 56.400 -0.077 0.000 0.907 646 E CB 0.959 30.630 29.700 -0.049 0.000 1.014 646 E HN -0.153 nan 8.360 nan 0.000 0.427 647 E N 0.917 121.029 120.200 -0.146 0.000 2.338 647 E HA 0.097 4.449 4.350 0.003 0.000 0.272 647 E C 0.181 176.604 176.600 -0.295 0.000 1.029 647 E CA -0.078 56.211 56.400 -0.187 0.000 0.872 647 E CB 1.726 31.349 29.700 -0.129 0.000 1.015 647 E HN 0.527 nan 8.360 nan 0.000 0.417 648 V N -0.567 119.119 119.914 -0.380 0.000 3.329 648 V HA 0.326 4.447 4.120 0.003 0.000 0.317 648 V C 1.378 177.243 176.094 -0.382 0.000 1.495 648 V CA 0.364 62.335 62.300 -0.547 0.000 1.105 648 V CB 0.225 31.401 31.823 -1.078 0.000 0.985 648 V HN 0.546 nan 8.190 nan 0.000 0.475 649 A N 2.667 125.323 122.820 -0.273 0.000 1.915 649 A HA -0.286 4.036 4.320 0.003 0.000 0.220 649 A C 1.575 178.973 177.584 -0.311 0.000 1.198 649 A CA 2.794 54.685 52.037 -0.242 0.000 0.647 649 A CB -0.711 18.193 19.000 -0.160 0.000 0.825 649 A HN 0.943 nan 8.150 nan 0.000 0.456 650 D N -2.693 117.572 120.400 -0.225 0.000 2.559 650 D HA 0.230 4.872 4.640 0.003 0.000 0.234 650 D C 0.861 177.149 176.300 -0.020 0.000 1.226 650 D CA -0.212 53.699 54.000 -0.148 0.000 0.830 650 D CB 0.007 40.832 40.800 0.042 0.000 1.028 650 D HN 0.497 nan 8.370 nan 0.000 0.492 651 R N -0.307 120.103 120.500 -0.150 0.000 2.509 651 R HA 0.541 4.883 4.340 0.003 0.000 0.297 651 R C -0.219 176.118 176.300 0.062 0.000 0.951 651 R CA -0.158 55.971 56.100 0.048 0.000 1.103 651 R CB 1.417 31.751 30.300 0.057 0.000 1.283 651 R HN 0.153 nan 8.270 nan 0.000 0.534 652 A N 0.745 123.424 122.820 -0.234 0.000 2.398 652 A HA 0.721 5.043 4.320 0.003 0.000 0.301 652 A C -1.628 175.683 177.584 -0.456 0.000 1.041 652 A CA -0.500 51.418 52.037 -0.199 0.000 0.711 652 A CB 1.045 20.003 19.000 -0.070 0.000 1.240 652 A HN 0.126 nan 8.150 nan 0.000 0.420 653 Y N -0.081 120.091 120.300 -0.214 0.000 2.562 653 Y HA 0.626 5.178 4.550 0.003 0.000 0.345 653 Y C 0.748 176.714 175.900 0.110 0.000 1.045 653 Y CA -0.422 57.671 58.100 -0.012 0.000 1.028 653 Y CB 2.287 40.819 38.460 0.119 0.000 1.297 653 Y HN 0.795 nan 8.280 nan 0.000 0.463 654 T N -2.368 112.373 114.554 0.313 0.000 2.927 654 T HA 0.462 4.813 4.350 0.003 0.000 0.281 654 T C 1.242 176.147 174.700 0.343 0.000 0.998 654 T CA -0.162 62.099 62.100 0.270 0.000 1.019 654 T CB 1.511 70.492 68.868 0.188 0.000 1.061 654 T HN 0.842 nan 8.240 nan 0.000 0.518 655 G N 1.133 110.124 108.800 0.318 0.000 2.553 655 G HA2 -0.279 3.683 3.960 0.003 0.000 0.218 655 G HA3 -0.279 3.683 3.960 0.003 0.000 0.218 655 G C 1.649 176.799 174.900 0.417 0.000 1.195 655 G CA 0.606 45.962 45.100 0.425 0.000 0.779 655 G HN 0.701 nan 8.290 nan 0.000 0.577 656 R N 0.974 121.646 120.500 0.287 0.000 2.136 656 R HA -0.151 4.191 4.340 0.003 0.000 0.242 656 R C 2.599 179.038 176.300 0.232 0.000 1.131 656 R CA 2.254 58.489 56.100 0.224 0.000 0.937 656 R CB -0.999 29.396 30.300 0.159 0.000 0.863 656 R HN 0.636 nan 8.270 nan 0.000 0.435 657 E N -0.983 119.367 120.200 0.251 0.000 2.130 657 E HA -0.224 4.128 4.350 0.003 0.000 0.196 657 E C 1.915 178.689 176.600 0.290 0.000 0.998 657 E CA 1.422 57.981 56.400 0.265 0.000 0.806 657 E CB -0.369 29.525 29.700 0.323 0.000 0.738 657 E HN 0.275 nan 8.360 nan 0.000 0.459 658 F N 2.361 122.408 119.950 0.162 0.000 2.102 658 F HA -0.194 4.335 4.527 0.003 0.000 0.298 658 F C 1.789 177.598 175.800 0.016 0.000 1.105 658 F CA 1.591 59.603 58.000 0.021 0.000 1.239 658 F CB -0.045 38.886 39.000 -0.115 0.000 0.991 658 F HN -0.107 nan 8.300 nan 0.000 0.474 659 D N 0.056 120.556 120.400 0.167 0.000 2.178 659 D HA -0.166 4.476 4.640 0.003 0.000 0.201 659 D C 1.616 177.915 176.300 -0.001 0.000 0.980 659 D CA 1.341 55.398 54.000 0.094 0.000 0.842 659 D CB -0.459 40.466 40.800 0.208 0.000 0.948 659 D HN 0.357 nan 8.370 nan 0.000 0.472 660 D N 0.178 120.594 120.400 0.028 0.000 2.378 660 D HA -0.004 4.637 4.640 0.003 0.000 0.222 660 D C 0.700 176.977 176.300 -0.038 0.000 0.980 660 D CA 0.248 54.256 54.000 0.013 0.000 0.907 660 D CB 0.244 41.074 40.800 0.049 0.000 0.899 660 D HN 0.257 nan 8.370 nan 0.000 0.527 661 L N 2.115 123.266 121.223 -0.120 0.000 2.334 661 L HA 0.306 4.648 4.340 0.003 0.000 0.277 661 L C -2.050 174.706 176.870 -0.190 0.000 1.075 661 L CA -1.876 52.863 54.840 -0.169 0.000 0.804 661 L CB 1.173 43.063 42.059 -0.281 0.000 1.174 661 L HN -0.227 nan 8.230 nan 0.000 0.438 662 P HA 0.109 nan 4.420 nan 0.000 0.277 662 P C 0.591 177.813 177.300 -0.129 0.000 1.240 662 P CA -0.585 62.454 63.100 -0.101 0.000 0.798 662 P CB 1.130 32.792 31.700 -0.062 0.000 0.979 663 L N 1.817 123.001 121.223 -0.065 0.000 2.230 663 L HA -0.272 4.069 4.340 0.003 0.000 0.217 663 L C 2.551 179.387 176.870 -0.057 0.000 1.090 663 L CA 2.769 57.610 54.840 0.001 0.000 0.771 663 L CB -1.865 40.235 42.059 0.069 0.000 0.892 663 L HN 0.464 nan 8.230 nan 0.000 0.438 664 A N -1.098 121.675 122.820 -0.078 0.000 1.935 664 A HA -0.076 4.245 4.320 0.003 0.000 0.214 664 A C 2.255 179.756 177.584 -0.139 0.000 1.178 664 A CA 0.916 52.904 52.037 -0.081 0.000 0.640 664 A CB -0.257 18.718 19.000 -0.041 0.000 0.825 664 A HN 0.468 nan 8.150 nan 0.000 0.447 665 E N -0.193 119.911 120.200 -0.160 0.000 2.216 665 E HA -0.131 4.221 4.350 0.003 0.000 0.192 665 E C 2.127 178.550 176.600 -0.295 0.000 0.988 665 E CA 0.763 57.061 56.400 -0.170 0.000 0.834 665 E CB -0.093 29.529 29.700 -0.129 0.000 0.772 665 E HN 0.687 nan 8.360 nan 0.000 0.479 666 Q N 0.527 120.046 119.800 -0.470 0.000 2.079 666 Q HA -0.141 4.201 4.340 0.003 0.000 0.200 666 Q C 2.260 177.787 176.000 -0.789 0.000 0.974 666 Q CA 0.963 56.329 55.803 -0.730 0.000 0.840 666 Q CB -0.149 28.032 28.738 -0.928 0.000 0.898 666 Q HN 0.132 nan 8.270 nan 0.000 0.430 667 R N 1.108 120.975 120.500 -1.055 0.000 2.080 667 R HA -0.227 4.115 4.340 0.003 0.000 0.236 667 R C 2.026 178.250 176.300 -0.127 0.000 1.137 667 R CA 1.803 57.419 56.100 -0.807 0.000 0.943 667 R CB -0.059 30.019 30.300 -0.369 0.000 0.846 667 R HN 0.096 nan 8.270 nan 0.000 0.431 668 E N 0.233 120.386 120.200 -0.078 0.000 2.058 668 E HA -0.170 4.182 4.350 0.003 0.000 0.194 668 E C 1.767 178.379 176.600 0.021 0.000 0.997 668 E CA 1.870 58.297 56.400 0.044 0.000 0.801 668 E CB -0.283 29.419 29.700 0.003 0.000 0.746 668 E HN 0.496 nan 8.360 nan 0.000 0.450 669 A N -0.378 122.410 122.820 -0.053 0.000 1.978 669 A HA -0.212 4.110 4.320 0.003 0.000 0.220 669 A C 2.440 180.078 177.584 0.090 0.000 1.170 669 A CA 1.529 53.539 52.037 -0.045 0.000 0.636 669 A CB -0.882 17.913 19.000 -0.343 0.000 0.810 669 A HN 0.500 nan 8.150 nan 0.000 0.448 670 C N -0.308 119.086 119.300 0.158 0.000 2.448 670 C HA -0.024 4.438 4.460 0.003 0.000 0.280 670 C C 2.753 177.860 174.990 0.194 0.000 1.398 670 C CA 0.876 60.054 59.018 0.266 0.000 1.774 670 C CB -1.292 26.628 27.740 0.301 0.000 1.888 670 C HN 0.784 nan 8.230 nan 0.000 0.519 671 R N 1.868 122.431 120.500 0.104 0.000 2.200 671 R HA -0.022 4.319 4.340 0.003 0.000 0.208 671 R C 1.996 178.274 176.300 -0.037 0.000 1.033 671 R CA 1.174 57.229 56.100 -0.075 0.000 1.000 671 R CB -0.399 29.609 30.300 -0.488 0.000 0.906 671 R HN 0.650 nan 8.270 nan 0.000 0.462 672 R N 0.512 121.028 120.500 0.027 0.000 2.250 672 R HA 0.362 4.704 4.340 0.003 0.000 0.194 672 R C 0.539 176.900 176.300 0.101 0.000 0.927 672 R CA 0.306 56.438 56.100 0.052 0.000 1.052 672 R CB 0.144 30.479 30.300 0.058 0.000 1.055 672 R HN 0.074 nan 8.270 nan 0.000 0.537 673 A N 0.762 123.653 122.820 0.119 0.000 2.483 673 A HA 0.275 4.597 4.320 0.003 0.000 0.238 673 A C 0.359 177.955 177.584 0.021 0.000 1.070 673 A CA -0.190 51.886 52.037 0.066 0.000 0.770 673 A CB 0.390 19.313 19.000 -0.129 0.000 1.008 673 A HN 0.560 nan 8.150 nan 0.000 0.497 674 C N 0.193 119.484 119.300 -0.015 0.000 3.772 674 C HA 0.380 4.842 4.460 0.003 0.000 0.293 674 C C 0.202 175.061 174.990 -0.218 0.000 1.659 674 C CA -0.300 58.644 59.018 -0.123 0.000 1.810 674 C CB -1.155 26.435 27.740 -0.250 0.000 3.059 674 C HN 0.879 nan 8.230 nan 0.000 0.617 675 C N 1.663 120.848 119.300 -0.192 0.000 2.620 675 C HA 0.689 5.151 4.460 0.003 0.000 0.356 675 C C -1.589 173.235 174.990 -0.277 0.000 1.082 675 C CA -0.386 58.544 59.018 -0.147 0.000 1.293 675 C CB -0.807 26.950 27.740 0.029 0.000 1.836 675 C HN 0.409 nan 8.230 nan 0.000 0.453 676 F N 4.662 124.639 119.950 0.044 0.000 2.402 676 F HA 0.686 5.215 4.527 0.003 0.000 0.355 676 F C 0.614 176.437 175.800 0.038 0.000 1.123 676 F CA -0.091 57.930 58.000 0.034 0.000 1.021 676 F CB 1.700 40.667 39.000 -0.055 0.000 1.160 676 F HN 0.804 nan 8.300 nan 0.000 0.451 677 A N 3.660 126.615 122.820 0.224 0.000 2.337 677 A HA 0.788 5.110 4.320 0.003 0.000 0.329 677 A C 0.002 177.691 177.584 0.174 0.000 1.146 677 A CA -0.853 51.280 52.037 0.159 0.000 0.800 677 A CB 0.836 19.903 19.000 0.112 0.000 1.220 677 A HN 0.722 nan 8.150 nan 0.000 0.472 678 R N 0.035 120.617 120.500 0.137 0.000 3.146 678 R HA -0.126 4.216 4.340 0.003 0.000 0.250 678 R C -0.588 175.812 176.300 0.167 0.000 0.912 678 R CA 0.411 56.590 56.100 0.132 0.000 0.633 678 R CB -2.640 27.738 30.300 0.129 0.000 1.180 678 R HN 0.525 nan 8.270 nan 0.000 0.464 679 V N 1.912 121.921 119.914 0.158 0.000 2.649 679 V HA 0.104 4.225 4.120 0.003 0.000 0.292 679 V C 1.268 177.412 176.094 0.084 0.000 1.055 679 V CA -0.302 62.127 62.300 0.214 0.000 1.023 679 V CB 1.613 33.518 31.823 0.136 0.000 0.992 679 V HN 0.204 nan 8.190 nan 0.000 0.480 680 E N 6.216 126.371 120.200 -0.076 0.000 2.371 680 E HA 0.179 4.531 4.350 0.003 0.000 0.257 680 E C -1.453 174.961 176.600 -0.311 0.000 1.134 680 E CA -1.809 54.365 56.400 -0.377 0.000 0.919 680 E CB 0.322 29.546 29.700 -0.793 0.000 1.025 680 E HN 0.410 nan 8.360 nan 0.000 0.438 681 P HA -0.122 nan 4.420 nan 0.000 0.219 681 P C 0.896 178.113 177.300 -0.138 0.000 1.146 681 P CA 1.228 64.238 63.100 -0.149 0.000 0.808 681 P CB 0.367 31.990 31.700 -0.130 0.000 0.779 682 S N -1.953 113.636 115.700 -0.185 0.000 2.573 682 S HA 0.121 4.592 4.470 0.003 0.000 0.244 682 S C 1.094 175.698 174.600 0.008 0.000 0.984 682 S CA -0.474 57.672 58.200 -0.090 0.000 1.001 682 S CB -1.064 62.100 63.200 -0.059 0.000 0.788 682 S HN 0.221 nan 8.310 nan 0.000 0.456 683 H N 0.179 119.204 119.070 -0.075 0.000 2.439 683 H HA 0.264 4.822 4.556 0.003 0.000 0.299 683 H C 1.991 177.185 175.328 -0.223 0.000 1.033 683 H CA 0.205 56.156 56.048 -0.162 0.000 1.348 683 H CB 0.261 29.861 29.762 -0.270 0.000 1.449 683 H HN 0.276 nan 8.280 nan 0.000 0.544 684 K N 0.578 120.949 120.400 -0.049 0.000 2.113 684 K HA -0.144 4.178 4.320 0.003 0.000 0.208 684 K C 2.282 178.840 176.600 -0.071 0.000 1.047 684 K CA 1.389 57.622 56.287 -0.089 0.000 0.928 684 K CB -0.099 32.368 32.500 -0.055 0.000 0.716 684 K HN 0.053 nan 8.250 nan 0.000 0.446 685 S N 0.715 116.388 115.700 -0.046 0.000 2.355 685 S HA -0.081 4.390 4.470 0.003 0.000 0.222 685 S C 1.702 176.262 174.600 -0.066 0.000 1.031 685 S CA 1.172 59.343 58.200 -0.048 0.000 0.993 685 S CB 0.056 63.232 63.200 -0.041 0.000 0.859 685 S HN 0.254 nan 8.310 nan 0.000 0.453 686 K N 0.719 121.094 120.400 -0.042 0.000 2.057 686 K HA 0.005 4.327 4.320 0.003 0.000 0.207 686 K C 1.951 178.523 176.600 -0.048 0.000 1.049 686 K CA 1.182 57.422 56.287 -0.078 0.000 0.931 686 K CB -0.317 32.256 32.500 0.122 0.000 0.714 686 K HN 0.366 nan 8.250 nan 0.000 0.440 687 I N 0.769 121.311 120.570 -0.048 0.000 2.226 687 I HA -0.262 3.909 4.170 0.003 0.000 0.245 687 I C 2.250 178.386 176.117 0.032 0.000 1.100 687 I CA 1.010 62.289 61.300 -0.035 0.000 1.374 687 I CB -0.243 37.572 38.000 -0.308 0.000 1.057 687 I HN -0.063 nan 8.210 nan 0.000 0.413 688 V N 0.870 120.773 119.914 -0.017 0.000 2.427 688 V HA -0.291 3.830 4.120 0.003 0.000 0.248 688 V C 2.487 178.582 176.094 0.002 0.000 1.051 688 V CA 2.180 64.481 62.300 0.002 0.000 1.048 688 V CB -0.560 31.252 31.823 -0.017 0.000 0.666 688 V HN 0.505 nan 8.190 nan 0.000 0.456 689 E N -0.579 119.585 120.200 -0.059 0.000 2.051 689 E HA -0.252 4.099 4.350 0.003 0.000 0.192 689 E C 2.192 178.753 176.600 -0.066 0.000 0.991 689 E CA 1.770 58.101 56.400 -0.115 0.000 0.799 689 E CB -0.295 29.257 29.700 -0.247 0.000 0.748 689 E HN 0.642 nan 8.360 nan 0.000 0.449 690 Y N -0.009 120.305 120.300 0.023 0.000 2.224 690 Y HA -0.147 4.405 4.550 0.003 0.000 0.289 690 Y C 2.090 178.039 175.900 0.082 0.000 1.146 690 Y CA 0.686 58.805 58.100 0.033 0.000 1.182 690 Y CB -0.342 38.179 38.460 0.102 0.000 0.983 690 Y HN 0.175 nan 8.280 nan 0.000 0.524 691 L N -0.019 121.363 121.223 0.265 0.000 2.046 691 L HA -0.212 4.129 4.340 0.003 0.000 0.208 691 L C 2.099 179.080 176.870 0.185 0.000 1.077 691 L CA 1.747 56.736 54.840 0.248 0.000 0.747 691 L CB -1.147 41.011 42.059 0.164 0.000 0.896 691 L HN 0.285 nan 8.230 nan 0.000 0.432 692 Q N -1.370 118.489 119.800 0.098 0.000 2.369 692 Q HA -0.094 4.248 4.340 0.003 0.000 0.206 692 Q C 1.973 177.988 176.000 0.025 0.000 0.963 692 Q CA 1.159 56.994 55.803 0.054 0.000 0.894 692 Q CB -0.144 28.603 28.738 0.016 0.000 0.965 692 Q HN 0.612 nan 8.270 nan 0.000 0.475 693 S N -0.898 114.793 115.700 -0.015 0.000 2.607 693 S HA -0.054 4.418 4.470 0.003 0.000 0.224 693 S C 0.623 175.076 174.600 -0.245 0.000 0.969 693 S CA 0.269 58.385 58.200 -0.139 0.000 0.927 693 S CB 0.056 63.139 63.200 -0.194 0.000 0.772 693 S HN 0.339 nan 8.310 nan 0.000 0.533 694 Y N 1.599 121.935 120.300 0.061 0.000 2.706 694 Y HA 0.310 4.862 4.550 0.003 0.000 0.255 694 Y C 0.166 176.087 175.900 0.036 0.000 1.163 694 Y CA -1.363 56.766 58.100 0.049 0.000 1.174 694 Y CB -0.071 38.422 38.460 0.055 0.000 1.200 694 Y HN 0.170 nan 8.280 nan 0.000 0.544 695 D N 0.053 120.532 120.400 0.131 0.000 2.983 695 D HA -0.232 4.410 4.640 0.003 0.000 0.225 695 D C -0.306 176.042 176.300 0.080 0.000 1.174 695 D CA 0.890 54.941 54.000 0.084 0.000 0.831 695 D CB -0.787 40.056 40.800 0.072 0.000 1.104 695 D HN 0.513 nan 8.370 nan 0.000 0.421 696 E N -0.065 120.199 120.200 0.106 0.000 2.289 696 E HA 0.256 4.608 4.350 0.003 0.000 0.278 696 E C 0.436 177.066 176.600 0.051 0.000 1.032 696 E CA -0.666 55.781 56.400 0.079 0.000 0.854 696 E CB 0.847 30.608 29.700 0.101 0.000 1.046 696 E HN 0.031 nan 8.360 nan 0.000 0.409 697 I N 3.442 124.028 120.570 0.027 0.000 2.406 697 I HA -0.007 4.165 4.170 0.003 0.000 0.293 697 I C 0.254 176.381 176.117 0.018 0.000 1.101 697 I CA 0.456 61.762 61.300 0.011 0.000 1.334 697 I CB 0.263 38.256 38.000 -0.012 0.000 1.421 697 I HN 0.283 nan 8.210 nan 0.000 0.513 698 T N 5.970 120.537 114.554 0.023 0.000 2.837 698 T HA 0.748 5.100 4.350 0.003 0.000 0.285 698 T C 0.061 174.772 174.700 0.018 0.000 0.984 698 T CA -0.672 61.446 62.100 0.029 0.000 1.049 698 T CB 1.362 70.254 68.868 0.039 0.000 0.947 698 T HN 0.617 nan 8.240 nan 0.000 0.472 699 A N 3.416 126.250 122.820 0.022 0.000 2.318 699 A HA 0.827 5.149 4.320 0.003 0.000 0.324 699 A C -0.526 177.076 177.584 0.030 0.000 1.170 699 A CA -0.793 51.253 52.037 0.016 0.000 0.810 699 A CB 0.925 19.930 19.000 0.008 0.000 1.198 699 A HN 0.775 nan 8.150 nan 0.000 0.484 700 M N 2.546 122.159 119.600 0.022 0.000 2.386 700 M HA 0.567 5.048 4.480 0.003 0.000 0.293 700 M C -0.056 176.258 176.300 0.025 0.000 1.120 700 M CA -0.029 55.286 55.300 0.026 0.000 0.909 700 M CB 2.178 34.785 32.600 0.011 0.000 1.661 700 M HN 0.833 nan 8.290 nan 0.000 0.452 701 T N 1.141 115.716 114.554 0.036 0.000 2.944 701 T HA 1.042 5.393 4.350 0.003 0.000 0.284 701 T C 0.102 174.815 174.700 0.022 0.000 1.010 701 T CA -0.034 62.087 62.100 0.034 0.000 1.025 701 T CB 1.562 70.465 68.868 0.058 0.000 1.079 701 T HN 1.400 nan 8.240 nan 0.000 0.516 702 G N 0.734 109.545 108.800 0.018 0.000 2.337 702 G HA2 0.461 4.422 3.960 0.003 0.000 0.298 702 G HA3 0.461 4.422 3.960 0.003 0.000 0.298 702 G C -2.140 172.765 174.900 0.008 0.000 1.335 702 G CA -0.112 44.994 45.100 0.009 0.000 0.875 702 G HN 1.183 nan 8.290 nan 0.000 0.579 703 D N -1.735 118.666 120.400 0.001 0.000 2.759 703 D HA 0.774 5.416 4.640 0.003 0.000 0.321 703 D C 0.641 176.937 176.300 -0.007 0.000 1.267 703 D CA 0.682 54.684 54.000 0.003 0.000 0.933 703 D CB 0.850 41.653 40.800 0.006 0.000 1.431 703 D HN 2.254 nan 8.370 nan 0.000 0.504 704 G N -1.444 107.354 108.800 -0.004 0.000 2.880 704 G HA2 -0.050 3.911 3.960 0.003 0.000 0.617 704 G HA3 -0.050 3.911 3.960 0.003 0.000 0.617 704 G C 1.033 175.927 174.900 -0.010 0.000 1.493 704 G CA 0.809 45.895 45.100 -0.023 0.000 0.916 704 G HN 1.440 nan 8.290 nan 0.000 0.553 705 V N -1.874 118.028 119.914 -0.020 0.000 2.626 705 V HA -0.149 3.973 4.120 0.003 0.000 0.252 705 V C 2.448 178.525 176.094 -0.029 0.000 1.067 705 V CA 2.263 64.564 62.300 0.002 0.000 1.081 705 V CB -0.594 31.233 31.823 0.007 0.000 0.686 705 V HN 0.711 nan 8.190 nan 0.000 0.468 706 N N 1.514 120.179 118.700 -0.058 0.000 2.149 706 N HA -0.178 4.564 4.740 0.003 0.000 0.188 706 N C 1.378 176.861 175.510 -0.046 0.000 1.019 706 N CA 2.011 55.021 53.050 -0.067 0.000 0.857 706 N CB -0.491 37.947 38.487 -0.083 0.000 0.997 706 N HN 0.586 nan 8.380 nan 0.000 0.426 707 D N 0.269 120.650 120.400 -0.032 0.000 2.354 707 D HA 0.181 4.822 4.640 0.003 0.000 0.209 707 D C 1.722 178.013 176.300 -0.015 0.000 1.015 707 D CA 0.162 54.148 54.000 -0.023 0.000 0.867 707 D CB -0.032 40.758 40.800 -0.016 0.000 0.933 707 D HN 0.151 nan 8.370 nan 0.000 0.520 708 A N 2.151 124.966 122.820 -0.008 0.000 1.884 708 A HA -0.169 4.153 4.320 0.003 0.000 0.219 708 A C -0.199 177.380 177.584 -0.009 0.000 1.197 708 A CA 1.507 53.543 52.037 -0.002 0.000 0.637 708 A CB -1.541 17.465 19.000 0.009 0.000 0.827 708 A HN 0.178 nan 8.150 nan 0.000 0.450 709 P HA -0.196 nan 4.420 nan 0.000 0.213 709 P C 1.841 179.128 177.300 -0.021 0.000 1.170 709 P CA 2.252 65.341 63.100 -0.019 0.000 0.902 709 P CB -0.201 31.484 31.700 -0.025 0.000 0.789 710 A N -0.787 122.019 122.820 -0.024 0.000 1.908 710 A HA -0.186 4.136 4.320 0.003 0.000 0.218 710 A C 2.277 179.851 177.584 -0.017 0.000 1.181 710 A CA 1.558 53.580 52.037 -0.024 0.000 0.627 710 A CB -1.713 17.270 19.000 -0.028 0.000 0.818 710 A HN 0.100 nan 8.150 nan 0.000 0.445 711 L N -0.823 120.393 121.223 -0.012 0.000 2.046 711 L HA -0.208 4.134 4.340 0.003 0.000 0.208 711 L C 2.682 179.546 176.870 -0.010 0.000 1.077 711 L CA 1.990 56.825 54.840 -0.008 0.000 0.747 711 L CB -0.468 41.589 42.059 -0.004 0.000 0.896 711 L HN 0.484 nan 8.230 nan 0.000 0.432 712 K N 0.643 121.036 120.400 -0.012 0.000 2.057 712 K HA -0.240 4.082 4.320 0.003 0.000 0.207 712 K C 2.244 178.835 176.600 -0.015 0.000 1.049 712 K CA 1.489 57.768 56.287 -0.013 0.000 0.931 712 K CB 0.063 32.555 32.500 -0.014 0.000 0.714 712 K HN 0.117 nan 8.250 nan 0.000 0.440 713 K N 0.533 120.922 120.400 -0.017 0.000 2.001 713 K HA -0.027 4.295 4.320 0.003 0.000 0.208 713 K C 0.478 177.069 176.600 -0.015 0.000 1.048 713 K CA 0.823 57.098 56.287 -0.019 0.000 0.932 713 K CB -0.249 32.235 32.500 -0.027 0.000 0.715 713 K HN 0.195 nan 8.250 nan 0.000 0.437 714 A N 1.420 124.233 122.820 -0.012 0.000 2.536 714 A HA -0.078 4.244 4.320 0.003 0.000 0.234 714 A C 0.686 178.266 177.584 -0.006 0.000 1.076 714 A CA 0.220 52.254 52.037 -0.005 0.000 0.769 714 A CB 0.149 19.149 19.000 -0.001 0.000 1.020 714 A HN 0.464 nan 8.150 nan 0.000 0.508 715 E N -0.323 119.875 120.200 -0.004 0.000 2.107 715 E HA -0.023 4.328 4.350 0.003 0.000 0.191 715 E C -0.282 176.311 176.600 -0.011 0.000 0.982 715 E CA 1.214 57.609 56.400 -0.009 0.000 0.809 715 E CB -0.087 29.608 29.700 -0.010 0.000 0.756 715 E HN 0.543 nan 8.360 nan 0.000 0.459 716 I N 0.241 120.806 120.570 -0.009 0.000 2.668 716 I HA 0.277 4.449 4.170 0.003 0.000 0.276 716 I C 0.221 176.334 176.117 -0.006 0.000 1.139 716 I CA -0.466 60.827 61.300 -0.011 0.000 1.133 716 I CB 1.427 39.417 38.000 -0.016 0.000 1.327 716 I HN -0.144 nan 8.210 nan 0.000 0.520 717 G N 5.660 114.457 108.800 -0.006 0.000 2.406 717 G HA2 0.578 4.539 3.960 0.003 0.000 0.251 717 G HA3 0.578 4.539 3.960 0.003 0.000 0.251 717 G C -0.229 174.669 174.900 -0.002 0.000 1.271 717 G CA -0.133 44.965 45.100 -0.003 0.000 0.859 717 G HN 0.446 nan 8.290 nan 0.000 0.540 718 I N 1.438 122.010 120.570 0.003 0.000 2.465 718 I HA 0.559 4.731 4.170 0.003 0.000 0.291 718 I C 0.389 176.511 176.117 0.009 0.000 1.014 718 I CA -0.807 60.495 61.300 0.003 0.000 1.093 718 I CB 2.115 40.117 38.000 0.003 0.000 1.267 718 I HN 0.583 nan 8.210 nan 0.000 0.431 719 A N 6.895 129.719 122.820 0.007 0.000 2.350 719 A HA 0.897 5.219 4.320 0.003 0.000 0.318 719 A C -0.454 177.137 177.584 0.012 0.000 1.132 719 A CA -0.758 51.285 52.037 0.010 0.000 0.811 719 A CB 1.429 20.435 19.000 0.009 0.000 1.313 719 A HN 0.583 nan 8.150 nan 0.000 0.454 720 M N 1.110 120.720 119.600 0.015 0.000 2.274 720 M HA 0.281 4.763 4.480 0.003 0.000 0.344 720 M C 1.514 177.822 176.300 0.014 0.000 1.161 720 M CA -0.333 54.977 55.300 0.017 0.000 1.126 720 M CB 0.398 33.010 32.600 0.020 0.000 1.522 720 M HN 0.888 nan 8.290 nan 0.000 0.461 721 G N 0.894 109.701 108.800 0.012 0.000 2.432 721 G HA2 -0.147 3.815 3.960 0.003 0.000 0.219 721 G HA3 -0.147 3.815 3.960 0.003 0.000 0.219 721 G C 1.114 176.022 174.900 0.013 0.000 1.135 721 G CA 1.041 46.148 45.100 0.011 0.000 0.767 721 G HN 0.751 nan 8.290 nan 0.000 0.550 722 S N 0.235 115.944 115.700 0.014 0.000 2.710 722 S HA 0.468 4.940 4.470 0.003 0.000 0.224 722 S C 1.070 175.679 174.600 0.016 0.000 0.948 722 S CA 0.067 58.276 58.200 0.015 0.000 0.949 722 S CB 0.199 63.408 63.200 0.015 0.000 0.778 722 S HN 0.443 nan 8.310 nan 0.000 0.498 723 G N 1.347 110.157 108.800 0.017 0.000 2.535 723 G HA2 0.505 4.467 3.960 0.003 0.000 0.303 723 G HA3 0.505 4.467 3.960 0.003 0.000 0.303 723 G C -0.009 174.907 174.900 0.027 0.000 1.237 723 G CA -0.318 44.793 45.100 0.019 0.000 0.986 723 G HN 0.451 nan 8.290 nan 0.000 0.494 724 T N -2.567 112.008 114.554 0.034 0.000 2.898 724 T HA 0.416 4.768 4.350 0.003 0.000 0.301 724 T C 1.707 176.451 174.700 0.073 0.000 1.049 724 T CA 0.457 62.595 62.100 0.064 0.000 1.095 724 T CB 1.383 70.299 68.868 0.079 0.000 0.976 724 T HN 0.940 nan 8.240 nan 0.000 0.539 725 A N 2.115 124.992 122.820 0.094 0.000 1.940 725 A HA -0.015 4.306 4.320 0.003 0.000 0.219 725 A C 2.373 179.983 177.584 0.043 0.000 1.176 725 A CA 1.681 53.750 52.037 0.054 0.000 0.631 725 A CB -1.134 17.887 19.000 0.035 0.000 0.814 725 A HN 0.764 nan 8.150 nan 0.000 0.446 726 V N -0.444 119.527 119.914 0.096 0.000 2.358 726 V HA -0.199 3.923 4.120 0.003 0.000 0.246 726 V C 3.054 179.176 176.094 0.047 0.000 1.047 726 V CA 1.799 64.141 62.300 0.071 0.000 1.035 726 V CB -1.058 30.870 31.823 0.175 0.000 0.658 726 V HN 0.625 nan 8.190 nan 0.000 0.452 727 A N -0.206 122.645 122.820 0.053 0.000 1.908 727 A HA -0.267 4.055 4.320 0.003 0.000 0.218 727 A C 2.257 179.851 177.584 0.016 0.000 1.181 727 A CA 2.092 54.146 52.037 0.028 0.000 0.627 727 A CB -0.438 18.576 19.000 0.024 0.000 0.818 727 A HN 0.562 nan 8.150 nan 0.000 0.445 728 K N -0.655 119.755 120.400 0.017 0.000 2.009 728 K HA -0.145 4.177 4.320 0.003 0.000 0.210 728 K C 2.238 178.837 176.600 -0.003 0.000 1.049 728 K CA 1.945 58.236 56.287 0.006 0.000 0.929 728 K CB -0.652 31.852 32.500 0.007 0.000 0.714 728 K HN 0.720 nan 8.250 nan 0.000 0.440 729 T N -0.931 113.619 114.554 -0.007 0.000 2.977 729 T HA -0.026 4.325 4.350 0.003 0.000 0.271 729 T C 1.822 176.512 174.700 -0.016 0.000 1.105 729 T CA 1.031 63.120 62.100 -0.018 0.000 1.116 729 T CB -0.097 68.754 68.868 -0.029 0.000 0.878 729 T HN 0.185 nan 8.240 nan 0.000 0.509 730 A N 1.240 124.055 122.820 -0.008 0.000 2.275 730 A HA 0.467 4.789 4.320 0.003 0.000 0.212 730 A C 1.414 178.993 177.584 -0.008 0.000 1.201 730 A CA 0.143 52.175 52.037 -0.008 0.000 0.843 730 A CB -0.205 18.794 19.000 -0.002 0.000 0.873 730 A HN 0.676 nan 8.150 nan 0.000 0.492 731 S N -1.287 114.409 115.700 -0.007 0.000 2.593 731 S HA 0.540 5.012 4.470 0.003 0.000 0.297 731 S C 0.196 174.790 174.600 -0.010 0.000 1.112 731 S CA -0.456 57.740 58.200 -0.007 0.000 1.043 731 S CB 1.547 64.745 63.200 -0.003 0.000 1.054 731 S HN 0.089 nan 8.310 nan 0.000 0.516 732 E N 0.754 120.948 120.200 -0.010 0.000 2.158 732 E HA 0.267 4.619 4.350 0.003 0.000 0.191 732 E C 0.136 176.730 176.600 -0.010 0.000 0.982 732 E CA 0.986 57.379 56.400 -0.011 0.000 0.823 732 E CB 0.054 29.747 29.700 -0.012 0.000 0.766 732 E HN 0.629 nan 8.360 nan 0.000 0.468 733 M N 0.145 119.738 119.600 -0.010 0.000 2.501 733 M HA 0.363 4.845 4.480 0.003 0.000 0.293 733 M C -1.493 174.803 176.300 -0.008 0.000 1.192 733 M CA -0.837 54.456 55.300 -0.011 0.000 0.886 733 M CB 2.604 35.194 32.600 -0.017 0.000 1.710 733 M HN -0.308 nan 8.290 nan 0.000 0.457 734 V N 4.238 124.148 119.914 -0.007 0.000 2.555 734 V HA 0.478 4.600 4.120 0.003 0.000 0.302 734 V C -0.511 175.580 176.094 -0.005 0.000 1.038 734 V CA -0.733 61.565 62.300 -0.003 0.000 0.887 734 V CB 2.076 33.898 31.823 -0.001 0.000 0.991 734 V HN 0.708 nan 8.190 nan 0.000 0.434 735 L N 4.053 125.275 121.223 -0.001 0.000 2.288 735 L HA 0.403 4.744 4.340 0.003 0.000 0.283 735 L C 1.579 178.451 176.870 0.003 0.000 1.072 735 L CA -0.347 54.491 54.840 -0.002 0.000 0.862 735 L CB 0.973 43.034 42.059 0.003 0.000 1.245 735 L HN 0.856 nan 8.230 nan 0.000 0.432 736 A N 2.591 125.411 122.820 0.000 0.000 1.958 736 A HA -0.233 4.088 4.320 0.003 0.000 0.221 736 A C 1.646 179.233 177.584 0.006 0.000 1.178 736 A CA 2.219 54.257 52.037 0.003 0.000 0.642 736 A CB -0.299 18.701 19.000 0.000 0.000 0.816 736 A HN 0.866 nan 8.150 nan 0.000 0.453 737 D N -2.980 117.423 120.400 0.006 0.000 2.369 737 D HA 0.160 4.801 4.640 0.003 0.000 0.211 737 D C -0.176 176.135 176.300 0.018 0.000 1.077 737 D CA 0.636 54.642 54.000 0.011 0.000 0.842 737 D CB -0.204 40.602 40.800 0.009 0.000 0.947 737 D HN 0.307 nan 8.370 nan 0.000 0.509 738 D N -0.591 119.820 120.400 0.019 0.000 2.978 738 D HA -0.211 4.431 4.640 0.003 0.000 0.205 738 D C -0.200 176.128 176.300 0.048 0.000 1.093 738 D CA 0.796 54.815 54.000 0.030 0.000 1.006 738 D CB -1.620 39.198 40.800 0.030 0.000 1.116 738 D HN 0.336 nan 8.370 nan 0.000 0.419 739 N N 0.061 118.786 118.700 0.043 0.000 2.442 739 N HA 0.066 4.807 4.740 0.003 0.000 0.265 739 N C 0.898 176.459 175.510 0.086 0.000 1.138 739 N CA -0.068 53.023 53.050 0.068 0.000 0.956 739 N CB 0.138 38.650 38.487 0.043 0.000 1.067 739 N HN 0.066 nan 8.380 nan 0.000 0.474 740 F N 4.011 123.957 119.950 -0.006 0.000 2.115 740 F HA -0.294 4.235 4.527 0.003 0.000 0.300 740 F C 2.350 178.145 175.800 -0.008 0.000 1.092 740 F CA 2.192 60.188 58.000 -0.008 0.000 1.245 740 F CB -0.383 38.610 39.000 -0.011 0.000 0.995 740 F HN 0.622 nan 8.300 nan 0.000 0.481 741 S N -1.257 114.430 115.700 -0.021 0.000 2.440 741 S HA -0.205 4.267 4.470 0.003 0.000 0.238 741 S C 1.846 176.337 174.600 -0.181 0.000 1.010 741 S CA 1.578 59.698 58.200 -0.132 0.000 0.972 741 S CB -1.287 61.927 63.200 0.023 0.000 0.774 741 S HN 0.511 nan 8.310 nan 0.000 0.501 742 T N 2.837 117.309 114.554 -0.136 0.000 2.777 742 T HA 0.105 4.457 4.350 0.003 0.000 0.266 742 T C 1.671 176.276 174.700 -0.160 0.000 1.040 742 T CA 1.455 63.490 62.100 -0.108 0.000 1.141 742 T CB -0.492 68.338 68.868 -0.063 0.000 0.868 742 T HN 0.456 nan 8.240 nan 0.000 0.444 743 I N 0.988 121.412 120.570 -0.242 0.000 2.118 743 I HA -0.214 3.958 4.170 0.003 0.000 0.241 743 I C 2.490 178.454 176.117 -0.255 0.000 1.070 743 I CA 1.158 62.305 61.300 -0.255 0.000 1.327 743 I CB -0.745 37.039 38.000 -0.361 0.000 1.034 743 I HN 0.084 nan 8.210 nan 0.000 0.405 744 V N 1.156 120.852 119.914 -0.365 0.000 2.255 744 V HA -0.344 3.777 4.120 0.003 0.000 0.247 744 V C 2.748 178.758 176.094 -0.141 0.000 1.051 744 V CA 2.176 64.326 62.300 -0.251 0.000 1.018 744 V CB -1.207 30.461 31.823 -0.259 0.000 0.641 744 V HN 0.548 nan 8.190 nan 0.000 0.445 745 A N -0.210 122.535 122.820 -0.125 0.000 1.978 745 A HA -0.104 4.218 4.320 0.003 0.000 0.220 745 A C 2.348 179.894 177.584 -0.063 0.000 1.170 745 A CA 2.146 54.137 52.037 -0.076 0.000 0.636 745 A CB -0.651 18.312 19.000 -0.062 0.000 0.810 745 A HN 0.609 nan 8.150 nan 0.000 0.448 746 A N -0.874 121.901 122.820 -0.076 0.000 1.970 746 A HA 0.154 4.476 4.320 0.003 0.000 0.216 746 A C 2.149 179.702 177.584 -0.050 0.000 1.170 746 A CA 1.329 53.332 52.037 -0.056 0.000 0.645 746 A CB -0.616 18.349 19.000 -0.058 0.000 0.816 746 A HN 0.320 nan 8.150 nan 0.000 0.447 747 V N 0.218 120.093 119.914 -0.066 0.000 2.343 747 V HA -0.272 3.850 4.120 0.003 0.000 0.247 747 V C 2.520 178.593 176.094 -0.036 0.000 1.051 747 V CA 2.381 64.649 62.300 -0.053 0.000 1.036 747 V CB -0.614 31.171 31.823 -0.064 0.000 0.654 747 V HN 0.829 nan 8.190 nan 0.000 0.451 748 E N 0.466 120.644 120.200 -0.037 0.000 2.031 748 E HA -0.310 4.042 4.350 0.003 0.000 0.193 748 E C 2.165 178.759 176.600 -0.011 0.000 0.994 748 E CA 1.773 58.161 56.400 -0.022 0.000 0.800 748 E CB -0.238 29.448 29.700 -0.024 0.000 0.752 748 E HN 0.550 nan 8.360 nan 0.000 0.447 749 E N -0.018 120.174 120.200 -0.015 0.000 2.114 749 E HA -0.169 4.183 4.350 0.003 0.000 0.199 749 E C 1.901 178.506 176.600 0.007 0.000 1.008 749 E CA 1.839 58.237 56.400 -0.005 0.000 0.810 749 E CB -0.879 28.815 29.700 -0.010 0.000 0.739 749 E HN 0.408 nan 8.360 nan 0.000 0.456 750 G N -0.153 108.647 108.800 0.001 0.000 2.432 750 G HA2 -0.285 3.676 3.960 0.003 0.000 0.219 750 G HA3 -0.285 3.676 3.960 0.003 0.000 0.219 750 G C 1.676 176.595 174.900 0.032 0.000 1.135 750 G CA 0.786 45.892 45.100 0.011 0.000 0.767 750 G HN 0.214 nan 8.290 nan 0.000 0.550 751 R N 0.185 120.698 120.500 0.022 0.000 2.115 751 R HA 0.134 4.475 4.340 0.003 0.000 0.226 751 R C 2.984 179.321 176.300 0.062 0.000 1.100 751 R CA 0.929 57.055 56.100 0.044 0.000 0.980 751 R CB -0.206 30.106 30.300 0.021 0.000 0.875 751 R HN 0.345 nan 8.270 nan 0.000 0.445 752 A N 1.244 124.086 122.820 0.037 0.000 1.930 752 A HA -0.104 4.218 4.320 0.003 0.000 0.217 752 A C 1.986 179.586 177.584 0.027 0.000 1.175 752 A CA 0.998 53.051 52.037 0.026 0.000 0.627 752 A CB -0.233 18.777 19.000 0.017 0.000 0.815 752 A HN 0.070 nan 8.150 nan 0.000 0.443 753 I N -1.680 118.917 120.570 0.045 0.000 2.163 753 I HA -0.194 3.978 4.170 0.003 0.000 0.240 753 I C 2.396 178.520 176.117 0.012 0.000 1.081 753 I CA 1.423 62.749 61.300 0.044 0.000 1.353 753 I CB -1.713 36.329 38.000 0.069 0.000 1.054 753 I HN 0.479 nan 8.210 nan 0.000 0.407 754 Y N 2.858 123.115 120.300 -0.072 0.000 2.128 754 Y HA -0.280 4.271 4.550 0.003 0.000 0.284 754 Y C 2.548 178.362 175.900 -0.143 0.000 1.154 754 Y CA 1.786 59.820 58.100 -0.110 0.000 1.149 754 Y CB -0.496 37.919 38.460 -0.075 0.000 0.976 754 Y HN 0.227 nan 8.280 nan 0.000 0.505 755 N N 0.571 119.212 118.700 -0.098 0.000 2.094 755 N HA -0.209 4.532 4.740 0.003 0.000 0.191 755 N C 1.338 176.688 175.510 -0.267 0.000 1.023 755 N CA 1.721 54.670 53.050 -0.169 0.000 0.857 755 N CB -0.624 37.831 38.487 -0.052 0.000 1.013 755 N HN 0.449 nan 8.380 nan 0.000 0.426 756 N N 0.558 119.125 118.700 -0.222 0.000 2.216 756 N HA 0.023 4.765 4.740 0.003 0.000 0.183 756 N C 1.810 177.008 175.510 -0.520 0.000 1.017 756 N CA 0.645 53.553 53.050 -0.237 0.000 0.861 756 N CB -0.214 38.213 38.487 -0.101 0.000 0.986 756 N HN 0.331 nan 8.380 nan 0.000 0.428 757 M N 0.533 119.706 119.600 -0.711 0.000 2.099 757 M HA -0.094 4.388 4.480 0.003 0.000 0.262 757 M C 2.011 177.573 176.300 -1.229 0.000 1.067 757 M CA 1.182 55.636 55.300 -1.409 0.000 1.124 757 M CB -0.305 31.814 32.600 -0.800 0.000 1.353 757 M HN 0.066 nan 8.290 nan 0.000 0.410 758 K N 0.064 119.917 120.400 -0.912 0.000 2.211 758 K HA -0.235 4.087 4.320 0.003 0.000 0.204 758 K C 1.983 178.325 176.600 -0.430 0.000 1.047 758 K CA 1.428 57.305 56.287 -0.684 0.000 0.935 758 K CB 0.124 32.229 32.500 -0.658 0.000 0.728 758 K HN 0.171 nan 8.250 nan 0.000 0.452 759 Q N -0.412 119.141 119.800 -0.413 0.000 2.123 759 Q HA -0.055 4.286 4.340 0.003 0.000 0.196 759 Q C 1.728 177.667 176.000 -0.100 0.000 0.958 759 Q CA 1.242 56.922 55.803 -0.205 0.000 0.841 759 Q CB -0.179 28.463 28.738 -0.161 0.000 0.915 759 Q HN 0.417 nan 8.270 nan 0.000 0.455 760 F N -1.591 118.291 119.950 -0.114 0.000 2.456 760 F HA 0.161 4.690 4.527 0.003 0.000 0.298 760 F C 1.579 177.355 175.800 -0.040 0.000 1.104 760 F CA 0.310 58.277 58.000 -0.054 0.000 1.435 760 F CB -0.834 38.101 39.000 -0.109 0.000 1.078 760 F HN -0.024 nan 8.300 nan 0.000 0.546 761 I N 0.823 121.402 120.570 0.014 0.000 2.233 761 I HA -0.185 3.987 4.170 0.003 0.000 0.243 761 I C 2.610 178.652 176.117 -0.125 0.000 1.093 761 I CA 1.150 62.439 61.300 -0.018 0.000 1.380 761 I CB -0.408 37.459 38.000 -0.223 0.000 1.067 761 I HN 0.041 nan 8.210 nan 0.000 0.413 762 R N -0.370 120.038 120.500 -0.155 0.000 2.148 762 R HA -0.208 4.134 4.340 0.003 0.000 0.227 762 R C 2.310 178.425 176.300 -0.308 0.000 1.103 762 R CA 1.352 57.317 56.100 -0.225 0.000 0.983 762 R CB -0.494 29.770 30.300 -0.061 0.000 0.874 762 R HN 0.383 nan 8.270 nan 0.000 0.451 763 Y N 1.512 121.675 120.300 -0.228 0.000 2.163 763 Y HA -0.139 4.413 4.550 0.003 0.000 0.288 763 Y C 1.832 177.610 175.900 -0.203 0.000 1.136 763 Y CA 1.338 59.320 58.100 -0.197 0.000 1.147 763 Y CB -0.274 38.138 38.460 -0.081 0.000 0.987 763 Y HN -0.093 nan 8.280 nan 0.000 0.509 764 L N -0.539 120.497 121.223 -0.311 0.000 2.095 764 L HA -0.147 4.195 4.340 0.003 0.000 0.204 764 L C 2.441 179.117 176.870 -0.324 0.000 1.080 764 L CA 1.138 55.745 54.840 -0.388 0.000 0.759 764 L CB -0.455 41.498 42.059 -0.176 0.000 0.914 764 L HN 0.212 nan 8.230 nan 0.000 0.439 765 I N -0.829 119.559 120.570 -0.304 0.000 2.394 765 I HA -0.284 3.888 4.170 0.003 0.000 0.251 765 I C 2.833 178.769 176.117 -0.303 0.000 1.136 765 I CA 1.133 62.262 61.300 -0.285 0.000 1.425 765 I CB -0.293 37.447 38.000 -0.432 0.000 1.079 765 I HN 0.250 nan 8.210 nan 0.000 0.425 766 S N 0.912 116.336 115.700 -0.460 0.000 2.365 766 S HA -0.249 4.223 4.470 0.003 0.000 0.225 766 S C 2.303 176.713 174.600 -0.317 0.000 1.039 766 S CA 2.277 60.165 58.200 -0.520 0.000 1.033 766 S CB -0.391 62.315 63.200 -0.824 0.000 0.887 766 S HN 0.610 nan 8.310 nan 0.000 0.447 767 S N 0.840 116.337 115.700 -0.338 0.000 2.423 767 S HA -0.037 4.435 4.470 0.003 0.000 0.231 767 S C 1.541 176.047 174.600 -0.156 0.000 1.014 767 S CA 1.355 59.405 58.200 -0.251 0.000 0.965 767 S CB -0.915 62.082 63.200 -0.340 0.000 0.785 767 S HN 0.715 nan 8.310 nan 0.000 0.495 768 N N 1.060 119.674 118.700 -0.143 0.000 2.216 768 N HA 0.043 4.784 4.740 0.003 0.000 0.183 768 N C 1.614 177.095 175.510 -0.048 0.000 1.017 768 N CA 1.083 54.093 53.050 -0.067 0.000 0.861 768 N CB -0.364 38.113 38.487 -0.016 0.000 0.986 768 N HN 0.202 nan 8.380 nan 0.000 0.428 769 V N 0.614 120.485 119.914 -0.072 0.000 2.255 769 V HA -0.200 3.921 4.120 0.003 0.000 0.247 769 V C 2.380 178.451 176.094 -0.038 0.000 1.051 769 V CA 2.229 64.494 62.300 -0.059 0.000 1.018 769 V CB -1.225 30.540 31.823 -0.096 0.000 0.641 769 V HN 0.457 nan 8.190 nan 0.000 0.445 770 G N -1.124 107.647 108.800 -0.048 0.000 2.442 770 G HA2 -0.263 3.698 3.960 0.003 0.000 0.219 770 G HA3 -0.263 3.698 3.960 0.003 0.000 0.219 770 G C 1.470 176.369 174.900 -0.003 0.000 1.141 770 G CA 0.966 46.057 45.100 -0.016 0.000 0.763 770 G HN 0.586 nan 8.290 nan 0.000 0.554 771 E N -0.389 119.802 120.200 -0.015 0.000 2.106 771 E HA -0.050 4.301 4.350 0.003 0.000 0.192 771 E C 2.633 179.247 176.600 0.022 0.000 0.984 771 E CA 0.686 57.086 56.400 0.001 0.000 0.806 771 E CB -0.013 29.681 29.700 -0.009 0.000 0.750 771 E HN 0.322 nan 8.360 nan 0.000 0.458 772 V N 0.525 120.451 119.914 0.020 0.000 2.809 772 V HA -0.153 3.969 4.120 0.003 0.000 0.256 772 V C 2.090 178.240 176.094 0.094 0.000 1.080 772 V CA 0.853 63.178 62.300 0.042 0.000 1.102 772 V CB 0.138 31.968 31.823 0.012 0.000 0.705 772 V HN 0.132 nan 8.190 nan 0.000 0.475 773 V N -0.726 119.237 119.914 0.082 0.000 2.379 773 V HA -0.260 3.862 4.120 0.003 0.000 0.245 773 V C 2.535 178.712 176.094 0.139 0.000 1.044 773 V CA 2.090 64.472 62.300 0.137 0.000 1.036 773 V CB -0.459 31.416 31.823 0.087 0.000 0.664 773 V HN 0.795 nan 8.190 nan 0.000 0.453 774 C N 0.219 119.566 119.300 0.077 0.000 2.440 774 C HA -0.107 4.355 4.460 0.003 0.000 0.278 774 C C 2.527 177.552 174.990 0.057 0.000 1.295 774 C CA 0.618 59.668 59.018 0.053 0.000 1.738 774 C CB -0.954 26.805 27.740 0.031 0.000 1.987 774 C HN 0.504 nan 8.230 nan 0.000 0.492 775 I N 0.382 120.995 120.570 0.072 0.000 2.353 775 I HA -0.007 4.164 4.170 0.003 0.000 0.248 775 I C 2.299 178.465 176.117 0.082 0.000 1.119 775 I CA 1.383 62.719 61.300 0.060 0.000 1.417 775 I CB -1.617 36.416 38.000 0.055 0.000 1.078 775 I HN 0.376 nan 8.210 nan 0.000 0.421 776 F N 1.848 121.798 119.950 -0.001 0.000 2.128 776 F HA -0.111 4.418 4.527 0.003 0.000 0.295 776 F C 2.339 178.151 175.800 0.019 0.000 1.100 776 F CA 1.390 59.392 58.000 0.003 0.000 1.260 776 F CB -0.461 38.542 39.000 0.006 0.000 1.009 776 F HN -0.127 nan 8.300 nan 0.000 0.476 777 L N -0.371 120.761 121.223 -0.151 0.000 1.970 777 L HA -0.291 4.050 4.340 0.003 0.000 0.212 777 L C 2.571 179.334 176.870 -0.178 0.000 1.071 777 L CA 2.252 56.965 54.840 -0.212 0.000 0.751 777 L CB -1.215 40.827 42.059 -0.027 0.000 0.889 777 L HN 0.198 nan 8.230 nan 0.000 0.432 778 T N -1.108 113.409 114.554 -0.062 0.000 2.946 778 T HA -0.142 4.209 4.350 0.003 0.000 0.271 778 T C 1.462 176.171 174.700 0.016 0.000 1.104 778 T CA 1.279 63.383 62.100 0.006 0.000 1.114 778 T CB 0.048 68.944 68.868 0.047 0.000 0.867 778 T HN 0.476 nan 8.240 nan 0.000 0.513 779 A N -0.104 122.664 122.820 -0.086 0.000 1.973 779 A HA 0.644 4.966 4.320 0.003 0.000 0.210 779 A C 2.463 179.978 177.584 -0.114 0.000 1.200 779 A CA 0.915 52.921 52.037 -0.052 0.000 0.707 779 A CB -0.694 18.238 19.000 -0.113 0.000 0.862 779 A HN 0.507 nan 8.150 nan 0.000 0.461 780 A N -0.486 122.121 122.820 -0.356 0.000 2.119 780 A HA 0.236 4.558 4.320 0.003 0.000 0.217 780 A C 1.810 179.299 177.584 -0.158 0.000 1.153 780 A CA 0.956 52.781 52.037 -0.353 0.000 0.692 780 A CB -0.359 18.209 19.000 -0.720 0.000 0.799 780 A HN 0.431 nan 8.150 nan 0.000 0.458 781 L N -2.301 118.863 121.223 -0.099 0.000 2.556 781 L HA 0.254 4.596 4.340 0.003 0.000 0.226 781 L C 1.663 178.552 176.870 0.031 0.000 1.089 781 L CA 0.597 55.424 54.840 -0.021 0.000 0.864 781 L CB -0.073 41.984 42.059 -0.003 0.000 1.067 781 L HN 0.510 nan 8.230 nan 0.000 0.477 782 G N 1.243 110.084 108.800 0.069 0.000 2.143 782 G HA2 -0.258 3.704 3.960 0.003 0.000 0.248 782 G HA3 -0.258 3.704 3.960 0.003 0.000 0.248 782 G C 0.275 175.235 174.900 0.101 0.000 0.991 782 G CA -0.002 45.159 45.100 0.102 0.000 0.689 782 G HN 0.198 nan 8.290 nan 0.000 0.522 783 L N 0.226 121.520 121.223 0.118 0.000 2.472 783 L HA 0.394 4.735 4.340 0.003 0.000 0.260 783 L C -1.566 175.408 176.870 0.173 0.000 1.209 783 L CA -1.997 52.908 54.840 0.108 0.000 0.817 783 L CB 0.175 42.293 42.059 0.099 0.000 1.106 783 L HN -0.087 nan 8.230 nan 0.000 0.479 784 P HA 0.057 nan 4.420 nan 0.000 0.271 784 P C -0.989 176.441 177.300 0.216 0.000 1.216 784 P CA -0.371 62.857 63.100 0.214 0.000 0.776 784 P CB 0.353 32.167 31.700 0.189 0.000 0.881 785 E N 1.564 121.887 120.200 0.205 0.000 2.729 785 E HA -0.064 4.288 4.350 0.003 0.000 0.246 785 E C 0.932 177.604 176.600 0.121 0.000 0.984 785 E CA 0.071 56.551 56.400 0.134 0.000 0.951 785 E CB 0.325 30.085 29.700 0.100 0.000 0.914 785 E HN 0.447 nan 8.360 nan 0.000 0.509 786 A N 5.010 127.888 122.820 0.097 0.000 1.930 786 A HA 0.036 4.357 4.320 0.003 0.000 0.215 786 A C 0.766 178.372 177.584 0.036 0.000 1.176 786 A CA 0.765 52.845 52.037 0.072 0.000 0.632 786 A CB 0.283 19.321 19.000 0.064 0.000 0.819 786 A HN 0.509 nan 8.150 nan 0.000 0.445 787 L N 0.022 121.270 121.223 0.042 0.000 2.409 787 L HA 0.570 4.912 4.340 0.003 0.000 0.262 787 L C -0.783 176.116 176.870 0.049 0.000 0.992 787 L CA -0.890 53.973 54.840 0.039 0.000 0.817 787 L CB 2.212 44.292 42.059 0.036 0.000 1.350 787 L HN 0.425 nan 8.230 nan 0.000 0.411 788 I N -1.302 119.304 120.570 0.060 0.000 2.797 788 I HA 0.540 4.711 4.170 0.003 0.000 0.307 788 I C -1.890 174.280 176.117 0.088 0.000 1.033 788 I CA -2.184 59.156 61.300 0.067 0.000 1.071 788 I CB 1.744 39.782 38.000 0.063 0.000 1.255 788 I HN 0.314 nan 8.210 nan 0.000 0.445 789 P HA -0.227 nan 4.420 nan 0.000 0.217 789 P C 1.797 179.177 177.300 0.134 0.000 1.162 789 P CA 1.546 64.705 63.100 0.097 0.000 0.901 789 P CB -0.024 31.730 31.700 0.090 0.000 0.793 790 V N 0.017 120.014 119.914 0.138 0.000 2.392 790 V HA -0.275 3.846 4.120 0.003 0.000 0.249 790 V C 2.878 179.193 176.094 0.368 0.000 1.059 790 V CA 2.060 64.475 62.300 0.190 0.000 1.051 790 V CB -1.399 30.457 31.823 0.055 0.000 0.658 790 V HN 0.151 nan 8.190 nan 0.000 0.455 791 Q N -0.541 119.444 119.800 0.308 0.000 2.016 791 Q HA -0.144 4.198 4.340 0.003 0.000 0.200 791 Q C 2.323 178.466 176.000 0.237 0.000 0.978 791 Q CA 1.702 57.677 55.803 0.288 0.000 0.833 791 Q CB -0.297 28.540 28.738 0.164 0.000 0.895 791 Q HN 0.529 nan 8.270 nan 0.000 0.427 792 L N 0.417 121.738 121.223 0.164 0.000 2.013 792 L HA -0.261 4.081 4.340 0.003 0.000 0.212 792 L C 2.351 179.305 176.870 0.140 0.000 1.073 792 L CA 1.156 56.067 54.840 0.119 0.000 0.753 792 L CB -0.576 41.531 42.059 0.080 0.000 0.890 792 L HN 0.290 nan 8.230 nan 0.000 0.432 793 L N -1.214 120.114 121.223 0.174 0.000 2.127 793 L HA -0.287 4.055 4.340 0.003 0.000 0.211 793 L C 2.465 179.467 176.870 0.221 0.000 1.089 793 L CA 1.456 56.398 54.840 0.170 0.000 0.757 793 L CB -0.637 41.531 42.059 0.181 0.000 0.899 793 L HN 0.595 nan 8.230 nan 0.000 0.434 794 W N 0.329 121.705 121.300 0.127 0.000 2.409 794 W HA -0.139 4.522 4.660 0.003 0.000 0.299 794 W C 2.075 178.605 176.519 0.018 0.000 1.203 794 W CA 1.310 58.709 57.345 0.091 0.000 1.298 794 W CB -0.174 29.297 29.460 0.019 0.000 1.127 794 W HN -0.090 nan 8.180 nan 0.000 0.528 795 V N 2.405 122.409 119.914 0.150 0.000 2.343 795 V HA -0.345 3.776 4.120 0.003 0.000 0.247 795 V C 1.939 177.985 176.094 -0.081 0.000 1.051 795 V CA 2.266 64.572 62.300 0.010 0.000 1.036 795 V CB -0.961 30.896 31.823 0.057 0.000 0.654 795 V HN 0.157 nan 8.190 nan 0.000 0.451 796 N N -0.651 118.021 118.700 -0.047 0.000 2.515 796 N HA 0.013 4.755 4.740 0.003 0.000 0.185 796 N C 1.237 176.686 175.510 -0.102 0.000 1.109 796 N CA 0.636 53.640 53.050 -0.077 0.000 0.903 796 N CB 0.369 38.830 38.487 -0.043 0.000 0.969 796 N HN 0.314 nan 8.380 nan 0.000 0.450 797 L N -0.951 120.194 121.223 -0.131 0.000 2.526 797 L HA 0.200 4.541 4.340 0.003 0.000 0.210 797 L C 1.748 178.456 176.870 -0.270 0.000 1.048 797 L CA 0.580 55.324 54.840 -0.161 0.000 0.852 797 L CB -0.011 41.984 42.059 -0.106 0.000 1.128 797 L HN -0.171 nan 8.230 nan 0.000 0.482 798 V N -2.153 117.484 119.914 -0.462 0.000 2.784 798 V HA -0.023 4.099 4.120 0.003 0.000 0.231 798 V C 2.185 178.020 176.094 -0.432 0.000 1.128 798 V CA 1.380 63.315 62.300 -0.608 0.000 1.178 798 V CB -0.683 30.348 31.823 -1.320 0.000 0.943 798 V HN 0.276 nan 8.190 nan 0.000 0.500 799 T N 0.799 115.071 114.554 -0.470 0.000 2.624 799 T HA -0.263 4.089 4.350 0.003 0.000 0.268 799 T C 1.409 176.061 174.700 -0.081 0.000 1.041 799 T CA 2.336 64.327 62.100 -0.181 0.000 1.159 799 T CB -0.418 68.412 68.868 -0.064 0.000 0.863 799 T HN 0.405 nan 8.240 nan 0.000 0.434 800 D N 0.311 120.664 120.400 -0.080 0.000 2.348 800 D HA 0.182 4.824 4.640 0.003 0.000 0.211 800 D C 2.164 178.479 176.300 0.026 0.000 0.998 800 D CA 0.484 54.492 54.000 0.014 0.000 0.873 800 D CB -0.547 40.196 40.800 -0.095 0.000 0.925 800 D HN 0.468 nan 8.370 nan 0.000 0.524 801 G N 0.664 109.410 108.800 -0.089 0.000 2.394 801 G HA2 -0.153 3.808 3.960 0.003 0.000 0.214 801 G HA3 -0.153 3.808 3.960 0.003 0.000 0.214 801 G C 1.455 176.280 174.900 -0.126 0.000 1.176 801 G CA 0.153 45.178 45.100 -0.126 0.000 0.786 801 G HN 0.136 nan 8.290 nan 0.000 0.533 802 L N 1.450 122.611 121.223 -0.104 0.000 2.012 802 L HA -0.026 4.315 4.340 0.003 0.000 0.210 802 L C 0.289 177.104 176.870 -0.092 0.000 1.073 802 L CA 1.808 56.598 54.840 -0.083 0.000 0.748 802 L CB -2.037 39.996 42.059 -0.043 0.000 0.891 802 L HN 0.156 nan 8.230 nan 0.000 0.431 803 P HA -0.068 nan 4.420 nan 0.000 0.216 803 P C 1.704 178.871 177.300 -0.221 0.000 1.153 803 P CA 1.692 64.713 63.100 -0.132 0.000 0.844 803 P CB 0.021 31.661 31.700 -0.101 0.000 0.787 804 A N -0.756 122.013 122.820 -0.085 0.000 1.883 804 A HA -0.219 4.103 4.320 0.003 0.000 0.217 804 A C 2.265 179.659 177.584 -0.317 0.000 1.186 804 A CA 2.657 54.650 52.037 -0.073 0.000 0.624 804 A CB -1.940 17.050 19.000 -0.017 0.000 0.822 804 A HN 0.145 nan 8.150 nan 0.000 0.444 805 T N 0.235 114.551 114.554 -0.396 0.000 2.674 805 T HA -0.024 4.328 4.350 0.003 0.000 0.265 805 T C 2.248 176.522 174.700 -0.710 0.000 1.039 805 T CA 1.753 63.528 62.100 -0.540 0.000 1.150 805 T CB -0.571 68.067 68.868 -0.383 0.000 0.864 805 T HN 0.631 nan 8.240 nan 0.000 0.427 806 A N 1.221 123.741 122.820 -0.500 0.000 1.986 806 A HA -0.051 4.270 4.320 0.003 0.000 0.220 806 A C 2.248 179.551 177.584 -0.470 0.000 1.171 806 A CA 1.283 53.033 52.037 -0.478 0.000 0.640 806 A CB -0.973 17.978 19.000 -0.081 0.000 0.811 806 A HN 0.511 nan 8.150 nan 0.000 0.451 807 L N -0.736 120.294 121.223 -0.323 0.000 2.353 807 L HA -0.125 4.217 4.340 0.003 0.000 0.220 807 L C 2.503 179.289 176.870 -0.140 0.000 1.133 807 L CA 0.680 55.410 54.840 -0.184 0.000 0.798 807 L CB -0.448 41.534 42.059 -0.128 0.000 0.922 807 L HN 0.515 nan 8.230 nan 0.000 0.445 808 G N -0.940 107.690 108.800 -0.283 0.000 2.679 808 G HA2 -0.170 3.792 3.960 0.003 0.000 0.212 808 G HA3 -0.170 3.792 3.960 0.003 0.000 0.212 808 G C 0.745 175.603 174.900 -0.070 0.000 1.137 808 G CA -0.005 45.014 45.100 -0.135 0.000 0.787 808 G HN 0.281 nan 8.290 nan 0.000 0.534 809 F N 0.460 120.335 119.950 -0.125 0.000 2.668 809 F HA 0.368 4.896 4.527 0.003 0.000 0.301 809 F C 0.335 176.076 175.800 -0.098 0.000 1.106 809 F CA -2.132 55.747 58.000 -0.201 0.000 1.289 809 F CB -0.840 37.871 39.000 -0.482 0.000 1.006 809 F HN -0.141 nan 8.300 nan 0.000 0.535 810 N N 4.126 122.863 118.700 0.063 0.000 2.454 810 N HA 0.047 4.788 4.740 0.003 0.000 0.260 810 N C -2.317 173.218 175.510 0.042 0.000 1.218 810 N CA -1.145 51.926 53.050 0.035 0.000 0.904 810 N CB 0.219 38.695 38.487 -0.018 0.000 1.065 810 N HN 0.017 nan 8.380 nan 0.000 0.462 811 P HA 0.058 nan 4.420 nan 0.000 0.266 811 P C -2.495 174.816 177.300 0.018 0.000 1.193 811 P CA -0.689 62.434 63.100 0.039 0.000 0.770 811 P CB -0.167 31.558 31.700 0.042 0.000 0.836 812 P HA 0.207 nan 4.420 nan 0.000 0.284 812 P C -0.482 176.821 177.300 0.004 0.000 1.253 812 P CA -0.254 62.850 63.100 0.007 0.000 0.800 812 P CB 0.719 32.425 31.700 0.010 0.000 0.961 813 D N 1.664 122.064 120.400 -0.001 0.000 2.449 813 D HA 0.003 4.644 4.640 0.003 0.000 0.236 813 D C 1.522 177.823 176.300 0.001 0.000 1.149 813 D CA 0.100 54.098 54.000 -0.002 0.000 0.878 813 D CB 0.707 41.504 40.800 -0.004 0.000 1.198 813 D HN 0.310 nan 8.370 nan 0.000 0.446 814 L N 1.180 122.403 121.223 0.001 0.000 2.395 814 L HA -0.086 4.256 4.340 0.003 0.000 0.218 814 L C 1.588 178.459 176.870 0.001 0.000 1.130 814 L CA 0.670 55.511 54.840 0.002 0.000 0.826 814 L CB -0.231 41.830 42.059 0.003 0.000 0.941 814 L HN 0.383 nan 8.230 nan 0.000 0.451 815 D N -0.543 119.857 120.400 -0.000 0.000 2.325 815 D HA -0.069 4.572 4.640 0.003 0.000 0.225 815 D C 1.877 178.178 176.300 0.001 0.000 1.096 815 D CA -0.080 53.919 54.000 -0.000 0.000 0.844 815 D CB 0.108 40.907 40.800 -0.003 0.000 0.925 815 D HN 0.077 nan 8.370 nan 0.000 0.513 816 I N 0.843 121.414 120.570 0.003 0.000 2.091 816 I HA -0.270 3.902 4.170 0.003 0.000 0.240 816 I C 1.763 177.882 176.117 0.004 0.000 1.046 816 I CA 1.312 62.615 61.300 0.005 0.000 1.306 816 I CB -0.320 37.683 38.000 0.005 0.000 1.018 816 I HN 0.146 nan 8.210 nan 0.000 0.404 817 M N -0.283 119.318 119.600 0.001 0.000 2.505 817 M HA 0.042 4.523 4.480 0.003 0.000 0.230 817 M C 0.362 176.663 176.300 0.002 0.000 1.153 817 M CA 0.477 55.777 55.300 -0.000 0.000 0.997 817 M CB -0.809 31.790 32.600 -0.003 0.000 1.606 817 M HN 0.079 nan 8.290 nan 0.000 0.481 818 D N 1.207 121.608 120.400 0.002 0.000 2.368 818 D HA 0.131 4.773 4.640 0.003 0.000 0.218 818 D C 0.632 176.933 176.300 0.002 0.000 1.112 818 D CA 0.144 54.145 54.000 0.002 0.000 0.834 818 D CB 0.639 41.440 40.800 0.001 0.000 0.953 818 D HN 0.410 nan 8.370 nan 0.000 0.505 819 R N 0.115 120.617 120.500 0.003 0.000 2.795 819 R HA 0.586 4.928 4.340 0.003 0.000 0.275 819 R C -2.927 173.375 176.300 0.004 0.000 0.981 819 R CA -1.433 54.669 56.100 0.003 0.000 0.917 819 R CB 1.672 31.974 30.300 0.005 0.000 1.202 819 R HN -0.286 nan 8.270 nan 0.000 0.469 820 P HA 0.124 nan 4.420 nan 0.000 0.271 820 P C -2.427 174.874 177.300 0.001 0.000 1.238 820 P CA -1.051 62.051 63.100 0.003 0.000 0.794 820 P CB -0.346 31.357 31.700 0.004 0.000 0.959 821 P HA 0.165 nan 4.420 nan 0.000 0.271 821 P C 0.271 177.565 177.300 -0.011 0.000 1.216 821 P CA 0.075 63.169 63.100 -0.010 0.000 0.771 821 P CB 0.265 31.959 31.700 -0.009 0.000 0.864 822 R N 2.645 123.133 120.500 -0.020 0.000 2.679 822 R HA 0.135 4.477 4.340 0.003 0.000 0.268 822 R C 0.245 176.528 176.300 -0.027 0.000 1.044 822 R CA 0.102 56.191 56.100 -0.018 0.000 1.105 822 R CB 0.242 30.521 30.300 -0.034 0.000 0.989 822 R HN 0.447 nan 8.270 nan 0.000 0.447 823 S N 3.587 119.282 115.700 -0.009 0.000 2.548 823 S HA 0.197 4.669 4.470 0.003 0.000 0.277 823 S C -1.726 172.861 174.600 -0.021 0.000 1.315 823 S CA -1.549 56.648 58.200 -0.006 0.000 1.050 823 S CB 1.299 64.506 63.200 0.011 0.000 0.918 823 S HN 0.543 nan 8.310 nan 0.000 0.497 824 P HA -0.047 nan 4.420 nan 0.000 0.217 824 P C 1.048 178.342 177.300 -0.009 0.000 1.150 824 P CA 1.003 64.081 63.100 -0.037 0.000 0.832 824 P CB 0.152 31.837 31.700 -0.024 0.000 0.787 825 K N 0.099 120.504 120.400 0.010 0.000 2.283 825 K HA -0.118 4.204 4.320 0.003 0.000 0.202 825 K C 0.787 177.410 176.600 0.039 0.000 1.048 825 K CA 0.359 56.661 56.287 0.026 0.000 0.948 825 K CB -0.759 31.758 32.500 0.029 0.000 0.742 825 K HN 0.379 nan 8.250 nan 0.000 0.458 826 E N 3.606 123.828 120.200 0.037 0.000 2.734 826 E HA -0.056 4.296 4.350 0.003 0.000 0.235 826 E C -2.059 174.589 176.600 0.081 0.000 1.107 826 E CA -1.124 55.311 56.400 0.058 0.000 0.951 826 E CB 0.263 30.000 29.700 0.061 0.000 0.955 826 E HN 0.026 nan 8.360 nan 0.000 0.515 827 P HA -0.053 nan 4.420 nan 0.000 0.272 827 P C 0.257 177.613 177.300 0.094 0.000 1.230 827 P CA -0.151 63.004 63.100 0.092 0.000 0.788 827 P CB 0.985 32.745 31.700 0.099 0.000 0.949 828 L N 1.324 122.593 121.223 0.076 0.000 2.095 828 L HA 0.109 4.450 4.340 0.003 0.000 0.204 828 L C 1.253 178.160 176.870 0.062 0.000 1.080 828 L CA 1.499 56.365 54.840 0.043 0.000 0.759 828 L CB -0.388 41.656 42.059 -0.026 0.000 0.914 828 L HN 0.356 nan 8.230 nan 0.000 0.439 829 I N -0.858 119.766 120.570 0.090 0.000 2.498 829 I HA 0.495 4.667 4.170 0.003 0.000 0.290 829 I C -0.631 175.622 176.117 0.227 0.000 1.032 829 I CA -0.334 61.052 61.300 0.143 0.000 1.073 829 I CB 1.897 39.966 38.000 0.115 0.000 1.251 829 I HN 0.064 nan 8.210 nan 0.000 0.426 830 S N 3.221 119.078 115.700 0.262 0.000 2.686 830 S HA 0.761 5.233 4.470 0.003 0.000 0.273 830 S C -0.240 174.510 174.600 0.249 0.000 1.060 830 S CA -0.301 58.084 58.200 0.308 0.000 0.845 830 S CB 1.060 64.374 63.200 0.190 0.000 1.086 830 S HN 1.591 nan 8.310 nan 0.000 0.461 831 G N 1.751 110.665 108.800 0.191 0.000 2.550 831 G HA2 -0.348 3.614 3.960 0.003 0.000 0.277 831 G HA3 -0.348 3.614 3.960 0.003 0.000 0.277 831 G C 0.765 175.844 174.900 0.299 0.000 1.190 831 G CA 0.482 45.697 45.100 0.192 0.000 0.971 831 G HN 1.482 nan 8.290 nan 0.000 0.559 832 W N -0.001 121.366 121.300 0.111 0.000 2.392 832 W HA -0.002 4.660 4.660 0.003 0.000 0.279 832 W C 2.312 178.910 176.519 0.131 0.000 1.225 832 W CA 1.826 59.260 57.345 0.147 0.000 1.233 832 W CB -0.119 29.394 29.460 0.089 0.000 1.122 832 W HN 0.448 nan 8.180 nan 0.000 0.561 833 L N 0.331 121.615 121.223 0.101 0.000 2.217 833 L HA -0.109 4.233 4.340 0.003 0.000 0.211 833 L C 2.206 178.992 176.870 -0.141 0.000 1.107 833 L CA 1.636 56.387 54.840 -0.147 0.000 0.783 833 L CB -1.367 40.660 42.059 -0.053 0.000 0.919 833 L HN -0.073 nan 8.230 nan 0.000 0.442 834 F N -0.635 119.285 119.950 -0.050 0.000 2.084 834 F HA -0.233 4.296 4.527 0.003 0.000 0.296 834 F C 2.286 178.065 175.800 -0.034 0.000 1.111 834 F CA 1.768 59.780 58.000 0.021 0.000 1.224 834 F CB -0.751 38.296 39.000 0.077 0.000 0.991 834 F HN 0.193 nan 8.300 nan 0.000 0.471 835 F N 1.321 121.377 119.950 0.177 0.000 2.171 835 F HA -0.128 4.401 4.527 0.003 0.000 0.300 835 F C 2.439 178.061 175.800 -0.296 0.000 1.090 835 F CA 1.673 59.640 58.000 -0.054 0.000 1.293 835 F CB -0.605 38.235 39.000 -0.266 0.000 1.013 835 F HN -0.140 nan 8.300 nan 0.000 0.486 836 R N -1.099 119.023 120.500 -0.630 0.000 2.083 836 R HA -0.214 4.128 4.340 0.003 0.000 0.237 836 R C 2.073 178.068 176.300 -0.507 0.000 1.137 836 R CA 1.993 57.652 56.100 -0.736 0.000 0.951 836 R CB -0.807 29.058 30.300 -0.725 0.000 0.851 836 R HN 0.317 nan 8.270 nan 0.000 0.434 837 Y N -0.162 119.963 120.300 -0.292 0.000 2.509 837 Y HA -0.047 4.505 4.550 0.003 0.000 0.293 837 Y C 2.096 177.840 175.900 -0.260 0.000 1.133 837 Y CA 0.547 58.500 58.100 -0.245 0.000 1.283 837 Y CB -0.281 38.045 38.460 -0.225 0.000 1.001 837 Y HN 0.073 nan 8.280 nan 0.000 0.555 838 M N -0.380 119.111 119.600 -0.181 0.000 2.098 838 M HA -0.083 4.399 4.480 0.003 0.000 0.262 838 M C 2.410 178.588 176.300 -0.203 0.000 1.072 838 M CA 1.797 56.997 55.300 -0.167 0.000 1.133 838 M CB -0.232 32.304 32.600 -0.106 0.000 1.344 838 M HN 0.147 nan 8.290 nan 0.000 0.414 839 A N 0.940 123.512 122.820 -0.413 0.000 1.851 839 A HA -0.182 4.140 4.320 0.003 0.000 0.216 839 A C 1.984 179.500 177.584 -0.113 0.000 1.195 839 A CA 1.937 53.773 52.037 -0.334 0.000 0.622 839 A CB -1.198 17.485 19.000 -0.528 0.000 0.831 839 A HN 0.572 nan 8.150 nan 0.000 0.444 840 I N 0.099 120.607 120.570 -0.104 0.000 2.248 840 I HA -0.246 3.926 4.170 0.003 0.000 0.248 840 I C 2.647 178.803 176.117 0.066 0.000 1.107 840 I CA 1.630 62.936 61.300 0.010 0.000 1.373 840 I CB -2.111 35.920 38.000 0.053 0.000 1.055 840 I HN 0.386 nan 8.210 nan 0.000 0.418 841 G N 0.940 109.747 108.800 0.011 0.000 2.480 841 G HA2 -0.202 3.760 3.960 0.003 0.000 0.216 841 G HA3 -0.202 3.760 3.960 0.003 0.000 0.216 841 G C 1.754 176.676 174.900 0.037 0.000 1.200 841 G CA 0.915 46.020 45.100 0.008 0.000 0.782 841 G HN 0.470 nan 8.290 nan 0.000 0.554 842 G N -0.528 108.291 108.800 0.032 0.000 2.450 842 G HA2 -0.237 3.725 3.960 0.003 0.000 0.220 842 G HA3 -0.237 3.725 3.960 0.003 0.000 0.220 842 G C 1.599 176.533 174.900 0.057 0.000 1.130 842 G CA 1.129 46.257 45.100 0.047 0.000 0.760 842 G HN 0.460 nan 8.290 nan 0.000 0.557 843 Y N 0.983 121.268 120.300 -0.024 0.000 2.109 843 Y HA -0.109 4.443 4.550 0.003 0.000 0.285 843 Y C 2.878 178.773 175.900 -0.008 0.000 1.131 843 Y CA 1.712 59.802 58.100 -0.017 0.000 1.121 843 Y CB -0.385 38.059 38.460 -0.026 0.000 0.987 843 Y HN 0.025 nan 8.280 nan 0.000 0.495 844 V N 0.333 120.339 119.914 0.153 0.000 2.332 844 V HA -0.332 3.789 4.120 0.003 0.000 0.248 844 V C 2.581 178.658 176.094 -0.028 0.000 1.055 844 V CA 2.030 64.365 62.300 0.059 0.000 1.038 844 V CB -1.626 30.240 31.823 0.070 0.000 0.651 844 V HN 0.680 nan 8.190 nan 0.000 0.450 845 G N -0.482 108.315 108.800 -0.005 0.000 2.459 845 G HA2 -0.269 3.692 3.960 0.003 0.000 0.217 845 G HA3 -0.269 3.692 3.960 0.003 0.000 0.217 845 G C 1.796 176.676 174.900 -0.034 0.000 1.183 845 G CA 1.277 46.378 45.100 0.002 0.000 0.776 845 G HN 0.632 nan 8.290 nan 0.000 0.552 846 A N 1.212 123.987 122.820 -0.075 0.000 1.865 846 A HA 0.190 4.512 4.320 0.003 0.000 0.217 846 A C 2.873 180.360 177.584 -0.161 0.000 1.191 846 A CA 2.695 54.667 52.037 -0.108 0.000 0.623 846 A CB -1.027 17.889 19.000 -0.140 0.000 0.826 846 A HN 0.965 nan 8.150 nan 0.000 0.444 847 A N -0.457 122.187 122.820 -0.293 0.000 1.908 847 A HA -0.142 4.180 4.320 0.003 0.000 0.218 847 A C 2.439 179.945 177.584 -0.131 0.000 1.181 847 A CA 2.752 54.619 52.037 -0.283 0.000 0.627 847 A CB -1.397 17.354 19.000 -0.414 0.000 0.818 847 A HN 0.845 nan 8.150 nan 0.000 0.445 848 T N -3.477 111.028 114.554 -0.082 0.000 2.985 848 T HA 0.019 4.371 4.350 0.003 0.000 0.266 848 T C 1.642 176.339 174.700 -0.006 0.000 1.076 848 T CA 1.226 63.305 62.100 -0.036 0.000 1.135 848 T CB -0.339 68.518 68.868 -0.017 0.000 0.890 848 T HN 0.047 nan 8.240 nan 0.000 0.480 849 V N 1.781 121.695 119.914 -0.001 0.000 2.346 849 V HA 0.126 4.248 4.120 0.003 0.000 0.244 849 V C 3.083 179.216 176.094 0.065 0.000 1.037 849 V CA 1.738 64.060 62.300 0.038 0.000 1.029 849 V CB -1.317 30.525 31.823 0.032 0.000 0.663 849 V HN 0.635 nan 8.190 nan 0.000 0.454 850 G N -0.181 108.638 108.800 0.032 0.000 2.418 850 G HA2 -0.234 3.727 3.960 0.003 0.000 0.217 850 G HA3 -0.234 3.727 3.960 0.003 0.000 0.217 850 G C 1.802 176.768 174.900 0.111 0.000 1.158 850 G CA 1.080 46.217 45.100 0.063 0.000 0.771 850 G HN 0.589 nan 8.290 nan 0.000 0.545 851 A N 1.028 123.869 122.820 0.035 0.000 1.958 851 A HA 0.097 4.418 4.320 0.003 0.000 0.221 851 A C 2.746 180.437 177.584 0.178 0.000 1.178 851 A CA 2.688 54.747 52.037 0.037 0.000 0.642 851 A CB -0.672 18.301 19.000 -0.045 0.000 0.816 851 A HN 0.857 nan 8.150 nan 0.000 0.453 852 A N -0.878 122.019 122.820 0.129 0.000 1.903 852 A HA 0.419 4.740 4.320 0.003 0.000 0.213 852 A C 2.394 180.107 177.584 0.216 0.000 1.185 852 A CA 1.381 53.477 52.037 0.099 0.000 0.628 852 A CB -0.843 18.187 19.000 0.050 0.000 0.830 852 A HN 1.091 nan 8.150 nan 0.000 0.446 853 A N -1.574 121.427 122.820 0.301 0.000 2.121 853 A HA -0.060 4.262 4.320 0.003 0.000 0.218 853 A C 1.787 179.587 177.584 0.360 0.000 1.154 853 A CA 1.313 53.584 52.037 0.391 0.000 0.679 853 A CB -0.713 18.440 19.000 0.255 0.000 0.795 853 A HN 0.869 nan 8.150 nan 0.000 0.458 854 W N -0.910 120.468 121.300 0.131 0.000 2.452 854 W HA -0.090 4.572 4.660 0.003 0.000 0.313 854 W C 1.929 178.527 176.519 0.131 0.000 1.176 854 W CA 1.535 58.943 57.345 0.106 0.000 1.350 854 W CB -0.828 28.650 29.460 0.031 0.000 1.148 854 W HN 0.414 nan 8.180 nan 0.000 0.498 855 W N 0.720 121.947 121.300 -0.121 0.000 2.292 855 W HA -0.319 4.343 4.660 0.003 0.000 0.304 855 W C 1.903 178.116 176.519 -0.510 0.000 1.228 855 W CA 2.757 59.764 57.345 -0.563 0.000 1.241 855 W CB -0.970 28.288 29.460 -0.338 0.000 1.142 855 W HN -0.029 nan 8.180 nan 0.000 0.520 856 F N -0.355 119.482 119.950 -0.189 0.000 2.146 856 F HA -0.162 4.367 4.527 0.003 0.000 0.298 856 F C 2.366 177.864 175.800 -0.503 0.000 1.096 856 F CA 2.053 59.801 58.000 -0.419 0.000 1.275 856 F CB -0.848 38.031 39.000 -0.203 0.000 1.008 856 F HN -0.086 nan 8.300 nan 0.000 0.480 857 M N -2.773 116.728 119.600 -0.166 0.000 2.738 857 M HA 0.004 4.486 4.480 0.003 0.000 0.256 857 M C 1.257 177.268 176.300 -0.481 0.000 1.253 857 M CA 1.028 56.169 55.300 -0.265 0.000 1.223 857 M CB -0.418 32.136 32.600 -0.077 0.000 1.263 857 M HN -0.081 nan 8.290 nan 0.000 0.521 858 Y N 0.592 120.544 120.300 -0.579 0.000 2.457 858 Y HA 0.485 5.037 4.550 0.003 0.000 0.263 858 Y C 1.164 176.599 175.900 -0.775 0.000 1.164 858 Y CA -0.913 56.859 58.100 -0.547 0.000 1.274 858 Y CB -0.686 37.611 38.460 -0.271 0.000 1.097 858 Y HN 0.065 nan 8.280 nan 0.000 0.523 859 A N 0.656 122.836 122.820 -1.067 0.000 2.407 859 A HA 0.169 4.491 4.320 0.003 0.000 0.248 859 A C 1.251 178.502 177.584 -0.555 0.000 1.082 859 A CA -0.304 51.094 52.037 -1.066 0.000 0.785 859 A CB 0.543 18.758 19.000 -1.308 0.000 1.020 859 A HN 0.265 nan 8.150 nan 0.000 0.489 860 E N 0.868 120.884 120.200 -0.307 0.000 2.033 860 E HA -0.094 4.257 4.350 0.003 0.000 0.189 860 E C 0.297 176.780 176.600 -0.195 0.000 0.979 860 E CA 1.096 57.388 56.400 -0.180 0.000 0.802 860 E CB -0.134 29.535 29.700 -0.052 0.000 0.763 860 E HN 0.713 nan 8.360 nan 0.000 0.449 861 D N 0.829 121.139 120.400 -0.150 0.000 2.344 861 D HA 0.128 4.770 4.640 0.003 0.000 0.242 861 D C 0.376 176.549 176.300 -0.211 0.000 1.159 861 D CA 0.198 54.139 54.000 -0.098 0.000 0.859 861 D CB 0.175 40.994 40.800 0.031 0.000 0.925 861 D HN 0.010 nan 8.370 nan 0.000 0.510 862 G N 0.492 108.969 108.800 -0.539 0.000 2.537 862 G HA2 0.395 4.357 3.960 0.003 0.000 0.308 862 G HA3 0.395 4.357 3.960 0.003 0.000 0.308 862 G C -2.622 171.824 174.900 -0.757 0.000 1.237 862 G CA -1.425 43.053 45.100 -1.038 0.000 0.968 862 G HN -0.237 nan 8.290 nan 0.000 0.481 863 P HA 0.108 nan 4.420 nan 0.000 0.233 863 P C 1.022 178.080 177.300 -0.404 0.000 1.576 863 P CA 0.095 62.937 63.100 -0.430 0.000 0.962 863 P CB -0.229 31.269 31.700 -0.336 0.000 1.859 864 G N 1.498 110.051 108.800 -0.411 0.000 2.280 864 G HA2 0.103 4.065 3.960 0.003 0.000 0.273 864 G HA3 0.103 4.065 3.960 0.003 0.000 0.273 864 G C 0.396 175.138 174.900 -0.264 0.000 0.778 864 G CA -0.014 44.864 45.100 -0.371 0.000 1.067 864 G HN 0.374 nan 8.290 nan 0.000 0.325 865 V N 0.913 120.675 119.914 -0.252 0.000 2.502 865 V HA 0.364 4.485 4.120 0.003 0.000 0.261 865 V C 0.593 176.609 176.094 -0.130 0.000 0.996 865 V CA -0.339 61.912 62.300 -0.081 0.000 1.095 865 V CB -0.173 31.599 31.823 -0.085 0.000 1.325 865 V HN 0.851 nan 8.190 nan 0.000 0.574 866 T N -0.051 114.298 114.554 -0.342 0.000 2.640 866 T HA 0.077 4.429 4.350 0.003 0.000 0.252 866 T C 0.324 174.774 174.700 -0.417 0.000 1.038 866 T CA 0.869 62.572 62.100 -0.663 0.000 1.307 866 T CB -1.208 67.198 68.868 -0.771 0.000 1.014 866 T HN 1.321 nan 8.240 nan 0.000 0.523 867 Y N -1.081 119.263 120.300 0.073 0.000 4.366 867 Y HA -0.236 4.316 4.550 0.003 0.000 0.236 867 Y C 1.247 177.200 175.900 0.087 0.000 1.142 867 Y CA 0.434 58.588 58.100 0.091 0.000 2.024 867 Y CB -3.207 35.293 38.460 0.066 0.000 1.621 867 Y HN 0.864 nan 8.280 nan 0.000 0.694 868 H N 2.549 121.673 119.070 0.090 0.000 2.602 868 H HA -0.044 4.514 4.556 0.003 0.000 0.285 868 H C 0.530 175.951 175.328 0.156 0.000 1.093 868 H CA 1.631 57.736 56.048 0.095 0.000 1.201 868 H CB -0.041 29.738 29.762 0.029 0.000 1.294 868 H HN 0.513 nan 8.280 nan 0.000 0.633 869 Q N -0.123 119.837 119.800 0.268 0.000 2.453 869 Q HA -0.231 4.110 4.340 0.003 0.000 0.330 869 Q C 1.540 177.737 176.000 0.328 0.000 1.417 869 Q CA 0.435 56.412 55.803 0.289 0.000 0.902 869 Q CB -1.733 27.177 28.738 0.286 0.000 1.154 869 Q HN 0.588 nan 8.270 nan 0.000 0.395 870 L N -1.013 120.338 121.223 0.213 0.000 2.131 870 L HA -0.186 4.156 4.340 0.003 0.000 0.210 870 L C 2.194 179.150 176.870 0.144 0.000 1.092 870 L CA 1.881 56.796 54.840 0.125 0.000 0.759 870 L CB -0.314 41.732 42.059 -0.022 0.000 0.903 870 L HN 0.357 nan 8.230 nan 0.000 0.435 871 T N -2.248 112.404 114.554 0.162 0.000 2.614 871 T HA -0.245 4.107 4.350 0.003 0.000 0.263 871 T C 1.863 176.678 174.700 0.191 0.000 1.055 871 T CA 1.272 63.453 62.100 0.136 0.000 1.162 871 T CB -0.450 68.485 68.868 0.112 0.000 0.863 871 T HN 0.361 nan 8.240 nan 0.000 0.414 872 H N 1.490 120.658 119.070 0.164 0.000 2.330 872 H HA -0.148 4.410 4.556 0.003 0.000 0.290 872 H C 0.599 176.102 175.328 0.292 0.000 1.111 872 H CA 2.029 58.193 56.048 0.194 0.000 1.226 872 H CB -0.278 29.610 29.762 0.210 0.000 1.355 872 H HN 0.463 nan 8.280 nan 0.000 0.485 873 F N -2.327 117.774 119.950 0.251 0.000 2.779 873 F HA 0.516 5.045 4.527 0.003 0.000 0.316 873 F C -0.970 174.832 175.800 0.004 0.000 1.164 873 F CA -1.470 56.606 58.000 0.126 0.000 0.924 873 F CB 1.107 40.205 39.000 0.163 0.000 1.348 873 F HN -0.147 nan 8.300 nan 0.000 0.467 874 M N 1.848 121.200 119.600 -0.413 0.000 5.749 874 M HA 0.086 4.568 4.480 0.003 0.000 0.676 874 M C -0.890 175.210 176.300 -0.334 0.000 2.451 874 M CA 0.335 55.233 55.300 -0.669 0.000 0.248 874 M CB 0.748 33.114 32.600 -0.391 0.000 1.464 874 M HN 0.938 nan 8.290 nan 0.000 0.720 875 Q N -1.159 118.601 119.800 -0.067 0.000 2.477 875 Q HA 0.161 4.502 4.340 0.003 0.000 0.252 875 Q C 1.331 177.375 176.000 0.073 0.000 0.869 875 Q CA 0.467 56.310 55.803 0.067 0.000 0.969 875 Q CB 1.005 29.858 28.738 0.192 0.000 1.144 875 Q HN 0.667 nan 8.270 nan 0.000 0.577 876 c N 1.271 120.036 118.600 0.275 0.000 4.498 876 c HA -0.255 4.316 4.570 0.003 0.000 0.286 876 c C 1.912 176.029 174.090 0.045 0.000 1.663 876 c CA 1.307 57.753 56.329 0.195 0.000 1.923 876 c CB -1.973 40.519 42.510 -0.030 0.000 1.883 876 c HN 0.684 nan 8.230 nan 0.000 0.696 877 T N -0.448 114.127 114.554 0.035 0.000 2.915 877 T HA -0.099 4.253 4.350 0.003 0.000 0.269 877 T C 1.402 176.032 174.700 -0.116 0.000 1.071 877 T CA 1.850 63.932 62.100 -0.030 0.000 1.132 877 T CB -0.055 68.814 68.868 0.002 0.000 0.878 877 T HN 0.791 nan 8.240 nan 0.000 0.479 878 E N 0.505 120.600 120.200 -0.174 0.000 2.065 878 E HA 0.024 4.375 4.350 0.003 0.000 0.191 878 E C 1.047 177.247 176.600 -0.667 0.000 0.960 878 E CA 0.492 56.633 56.400 -0.431 0.000 0.824 878 E CB 0.046 29.572 29.700 -0.289 0.000 0.793 878 E HN 0.288 nan 8.360 nan 0.000 0.459 879 D N -1.074 119.102 120.400 -0.375 0.000 3.079 879 D HA -0.204 4.438 4.640 0.003 0.000 0.214 879 D C 0.779 176.909 176.300 -0.282 0.000 1.145 879 D CA 0.887 54.759 54.000 -0.214 0.000 0.958 879 D CB -0.917 39.777 40.800 -0.177 0.000 1.117 879 D HN 0.302 nan 8.370 nan 0.000 0.416 880 H N -1.256 117.667 119.070 -0.245 0.000 2.372 880 H HA 0.077 4.635 4.556 0.003 0.000 0.301 880 H C -0.665 174.564 175.328 -0.166 0.000 1.065 880 H CA 1.553 57.417 56.048 -0.305 0.000 1.364 880 H CB -1.301 28.290 29.762 -0.285 0.000 1.406 880 H HN 0.455 nan 8.280 nan 0.000 0.521 881 P HA -0.124 nan 4.420 nan 0.000 0.228 881 P C -0.009 177.488 177.300 0.328 0.000 1.151 881 P CA 1.396 64.531 63.100 0.058 0.000 0.770 881 P CB -0.138 31.492 31.700 -0.117 0.000 0.786 882 H N -1.365 117.825 119.070 0.199 0.000 2.716 882 H HA 0.322 4.879 4.556 0.003 0.000 0.260 882 H C 0.600 176.047 175.328 0.199 0.000 1.280 882 H CA -0.800 55.401 56.048 0.254 0.000 1.506 882 H CB -0.315 29.583 29.762 0.227 0.000 1.514 882 H HN -0.332 nan 8.280 nan 0.000 0.502 883 F N 1.671 121.530 119.950 -0.152 0.000 2.001 883 F HA -0.127 4.402 4.527 0.003 0.000 0.301 883 F C 1.483 177.115 175.800 -0.279 0.000 1.293 883 F CA 1.731 59.636 58.000 -0.157 0.000 1.196 883 F CB -0.342 38.599 39.000 -0.097 0.000 0.944 883 F HN 0.507 nan 8.300 nan 0.000 0.525 884 E N -0.050 120.133 120.200 -0.028 0.000 2.384 884 E HA 0.409 4.761 4.350 0.003 0.000 0.266 884 E C -0.207 176.227 176.600 -0.277 0.000 1.012 884 E CA 0.518 56.855 56.400 -0.105 0.000 0.901 884 E CB 0.228 29.911 29.700 -0.029 0.000 0.967 884 E HN 0.549 nan 8.360 nan 0.000 0.435 885 G N 2.533 111.272 108.800 -0.101 0.000 2.375 885 G HA2 0.035 3.996 3.960 0.003 0.000 0.663 885 G HA3 0.035 3.996 3.960 0.003 0.000 0.663 885 G C -1.102 173.853 174.900 0.092 0.000 1.391 885 G CA -0.807 44.324 45.100 0.052 0.000 0.949 885 G HN 0.503 nan 8.290 nan 0.000 0.646 886 L N 1.691 122.983 121.223 0.116 0.000 2.511 886 L HA 0.509 4.851 4.340 0.003 0.000 0.252 886 L C -0.980 175.933 176.870 0.072 0.000 1.542 886 L CA -0.463 54.423 54.840 0.076 0.000 0.822 886 L CB 1.364 43.444 42.059 0.034 0.000 1.050 886 L HN 0.554 nan 8.230 nan 0.000 0.516 887 D N -0.137 120.318 120.400 0.091 0.000 2.548 887 D HA 0.218 4.860 4.640 0.003 0.000 0.214 887 D C -0.389 175.926 176.300 0.026 0.000 1.345 887 D CA -0.252 53.778 54.000 0.051 0.000 0.945 887 D CB 2.076 42.908 40.800 0.053 0.000 1.499 887 D HN 0.224 nan 8.370 nan 0.000 0.579 888 c N 1.870 120.466 118.600 -0.007 0.000 3.123 888 c HA 0.040 4.612 4.570 0.003 0.000 0.399 888 c C 2.028 176.085 174.090 -0.055 0.000 1.320 888 c CA 0.083 56.357 56.329 -0.092 0.000 1.949 888 c CB -0.087 42.320 42.510 -0.172 0.000 2.692 888 c HN 0.702 nan 8.230 nan 0.000 0.623 889 E N 2.314 122.516 120.200 0.004 0.000 2.516 889 E HA -0.109 4.243 4.350 0.003 0.000 0.199 889 E C 1.389 178.086 176.600 0.162 0.000 1.069 889 E CA 0.729 57.160 56.400 0.052 0.000 0.876 889 E CB -0.393 29.320 29.700 0.020 0.000 0.843 889 E HN 0.736 nan 8.360 nan 0.000 0.530 890 I N -2.667 118.038 120.570 0.226 0.000 2.916 890 I HA -0.068 4.104 4.170 0.003 0.000 0.267 890 I C 1.290 177.660 176.117 0.422 0.000 1.263 890 I CA 0.820 62.286 61.300 0.277 0.000 1.471 890 I CB -0.470 37.661 38.000 0.218 0.000 1.089 890 I HN -0.108 nan 8.210 nan 0.000 0.468 891 F N 1.922 121.937 119.950 0.107 0.000 2.259 891 F HA 0.018 4.547 4.527 0.003 0.000 0.298 891 F C 2.170 178.095 175.800 0.208 0.000 1.088 891 F CA 1.183 59.256 58.000 0.123 0.000 1.358 891 F CB -0.643 38.288 39.000 -0.115 0.000 1.040 891 F HN 0.224 nan 8.300 nan 0.000 0.505 892 E N 0.324 120.700 120.200 0.293 0.000 2.416 892 E HA 0.216 4.568 4.350 0.003 0.000 0.189 892 E C 0.572 177.225 176.600 0.088 0.000 1.091 892 E CA -0.138 56.357 56.400 0.159 0.000 0.889 892 E CB -0.125 29.629 29.700 0.091 0.000 1.015 892 E HN 0.188 nan 8.360 nan 0.000 0.479 893 A N 2.792 125.679 122.820 0.111 0.000 2.462 893 A HA 0.109 4.431 4.320 0.003 0.000 0.243 893 A C -1.219 176.227 177.584 -0.229 0.000 1.076 893 A CA -1.087 50.921 52.037 -0.048 0.000 0.773 893 A CB 0.234 19.226 19.000 -0.012 0.000 1.010 893 A HN 0.001 nan 8.150 nan 0.000 0.493 894 P HA -0.086 nan 4.420 nan 0.000 0.222 894 P C 0.654 177.662 177.300 -0.487 0.000 1.153 894 P CA 0.923 63.846 63.100 -0.295 0.000 0.798 894 P CB 0.308 31.877 31.700 -0.220 0.000 0.796 895 E N 1.514 121.268 120.200 -0.742 0.000 2.048 895 E HA -0.169 4.183 4.350 0.003 0.000 0.202 895 E C -0.391 175.537 176.600 -1.120 0.000 1.021 895 E CA 2.495 58.253 56.400 -1.071 0.000 0.825 895 E CB -2.234 26.422 29.700 -1.740 0.000 0.756 895 E HN 0.404 nan 8.360 nan 0.000 0.454 896 P HA -0.189 nan 4.420 nan 0.000 0.218 896 P C 1.248 178.308 177.300 -0.399 0.000 1.148 896 P CA 1.665 64.278 63.100 -0.812 0.000 0.822 896 P CB -0.002 31.098 31.700 -1.000 0.000 0.784 897 M N -1.088 118.303 119.600 -0.349 0.000 2.236 897 M HA -0.048 4.434 4.480 0.003 0.000 0.266 897 M C 2.110 178.291 176.300 -0.198 0.000 1.070 897 M CA 1.766 56.953 55.300 -0.188 0.000 1.137 897 M CB -1.105 31.417 32.600 -0.130 0.000 1.378 897 M HN -0.091 nan 8.290 nan 0.000 0.426 898 T N 0.602 114.984 114.554 -0.286 0.000 2.833 898 T HA -0.081 4.271 4.350 0.003 0.000 0.269 898 T C 1.821 176.354 174.700 -0.278 0.000 1.054 898 T CA 0.988 62.918 62.100 -0.283 0.000 1.135 898 T CB -0.034 68.611 68.868 -0.372 0.000 0.869 898 T HN 0.241 nan 8.240 nan 0.000 0.466 899 M N 0.892 120.320 119.600 -0.288 0.000 2.175 899 M HA 0.106 4.588 4.480 0.003 0.000 0.264 899 M C 2.736 178.956 176.300 -0.133 0.000 1.063 899 M CA 1.058 56.231 55.300 -0.211 0.000 1.119 899 M CB -1.205 31.327 32.600 -0.114 0.000 1.377 899 M HN 0.317 nan 8.290 nan 0.000 0.415 900 A N 0.009 122.764 122.820 -0.109 0.000 1.872 900 A HA -0.128 4.194 4.320 0.003 0.000 0.214 900 A C 2.165 179.718 177.584 -0.051 0.000 1.187 900 A CA 1.112 53.114 52.037 -0.059 0.000 0.614 900 A CB -0.896 18.082 19.000 -0.036 0.000 0.826 900 A HN 0.382 nan 8.150 nan 0.000 0.442 901 L N 0.184 121.375 121.223 -0.054 0.000 1.989 901 L HA -0.144 4.197 4.340 0.003 0.000 0.211 901 L C 2.588 179.432 176.870 -0.044 0.000 1.071 901 L CA 2.625 57.453 54.840 -0.020 0.000 0.749 901 L CB -0.761 41.306 42.059 0.013 0.000 0.890 901 L HN 0.311 nan 8.230 nan 0.000 0.431 902 S N -1.279 114.389 115.700 -0.052 0.000 2.387 902 S HA -0.187 4.285 4.470 0.003 0.000 0.230 902 S C 1.963 176.561 174.600 -0.004 0.000 1.035 902 S CA 1.397 59.566 58.200 -0.051 0.000 1.014 902 S CB -0.442 62.632 63.200 -0.210 0.000 0.836 902 S HN 0.348 nan 8.310 nan 0.000 0.466 903 V N 1.539 121.439 119.914 -0.023 0.000 2.307 903 V HA -0.126 3.996 4.120 0.003 0.000 0.245 903 V C 2.223 178.323 176.094 0.009 0.000 1.045 903 V CA 1.549 63.851 62.300 0.004 0.000 1.024 903 V CB -0.626 31.181 31.823 -0.028 0.000 0.651 903 V HN 0.372 nan 8.190 nan 0.000 0.449 904 L N 0.040 121.256 121.223 -0.013 0.000 1.989 904 L HA -0.154 4.188 4.340 0.003 0.000 0.211 904 L C 2.393 179.253 176.870 -0.017 0.000 1.071 904 L CA 1.959 56.794 54.840 -0.009 0.000 0.749 904 L CB -0.665 41.386 42.059 -0.014 0.000 0.890 904 L HN 0.124 nan 8.230 nan 0.000 0.431 905 V N -0.578 119.298 119.914 -0.063 0.000 2.282 905 V HA -0.362 3.760 4.120 0.003 0.000 0.249 905 V C 2.486 178.567 176.094 -0.021 0.000 1.057 905 V CA 2.400 64.646 62.300 -0.090 0.000 1.032 905 V CB -1.073 30.564 31.823 -0.310 0.000 0.645 905 V HN 0.594 nan 8.190 nan 0.000 0.447 906 T N 0.027 114.587 114.554 0.011 0.000 2.708 906 T HA -0.099 4.252 4.350 0.003 0.000 0.266 906 T C 1.834 176.569 174.700 0.058 0.000 1.037 906 T CA 1.703 63.834 62.100 0.052 0.000 1.146 906 T CB -0.261 68.665 68.868 0.097 0.000 0.865 906 T HN 0.321 nan 8.240 nan 0.000 0.435 907 I N 1.031 121.641 120.570 0.066 0.000 2.208 907 I HA -0.152 4.020 4.170 0.003 0.000 0.245 907 I C 2.691 178.855 176.117 0.078 0.000 1.097 907 I CA 1.175 62.526 61.300 0.084 0.000 1.363 907 I CB -0.347 37.723 38.000 0.116 0.000 1.051 907 I HN 0.159 nan 8.210 nan 0.000 0.413 908 E N 0.310 120.551 120.200 0.068 0.000 2.153 908 E HA -0.168 4.184 4.350 0.003 0.000 0.194 908 E C 2.167 178.880 176.600 0.189 0.000 0.988 908 E CA 1.058 57.525 56.400 0.110 0.000 0.811 908 E CB -0.168 29.555 29.700 0.039 0.000 0.746 908 E HN 0.419 nan 8.360 nan 0.000 0.466 909 M N -0.494 119.170 119.600 0.105 0.000 2.319 909 M HA -0.086 4.396 4.480 0.003 0.000 0.265 909 M C 2.368 178.699 176.300 0.051 0.000 1.068 909 M CA 0.636 55.980 55.300 0.074 0.000 1.118 909 M CB -1.029 31.598 32.600 0.046 0.000 1.395 909 M HN 0.153 nan 8.290 nan 0.000 0.435 910 C N 0.497 119.833 119.300 0.059 0.000 2.466 910 C HA -0.076 4.386 4.460 0.003 0.000 0.278 910 C C 2.523 177.541 174.990 0.046 0.000 1.288 910 C CA 0.890 59.930 59.018 0.037 0.000 1.722 910 C CB -1.193 26.566 27.740 0.031 0.000 2.017 910 C HN 0.572 nan 8.230 nan 0.000 0.488 911 N N 0.819 119.582 118.700 0.105 0.000 2.453 911 N HA -0.013 4.728 4.740 0.003 0.000 0.183 911 N C 1.582 177.181 175.510 0.148 0.000 1.041 911 N CA 1.138 54.279 53.050 0.152 0.000 0.900 911 N CB -0.126 38.479 38.487 0.196 0.000 0.961 911 N HN 0.484 nan 8.380 nan 0.000 0.443 912 A N 0.219 123.064 122.820 0.042 0.000 1.898 912 A HA -0.044 4.277 4.320 0.003 0.000 0.216 912 A C 2.121 179.575 177.584 -0.215 0.000 1.181 912 A CA 0.865 52.667 52.037 -0.392 0.000 0.620 912 A CB -0.630 18.140 19.000 -0.384 0.000 0.819 912 A HN 0.318 nan 8.150 nan 0.000 0.442 913 L N -0.142 121.022 121.223 -0.098 0.000 2.201 913 L HA -0.130 4.211 4.340 0.003 0.000 0.212 913 L C 1.587 178.421 176.870 -0.059 0.000 1.105 913 L CA 0.778 55.571 54.840 -0.078 0.000 0.775 913 L CB -0.569 41.459 42.059 -0.051 0.000 0.913 913 L HN 0.368 nan 8.230 nan 0.000 0.440 914 N N -0.577 118.110 118.700 -0.023 0.000 2.571 914 N HA -0.060 4.682 4.740 0.003 0.000 0.189 914 N C 1.355 176.876 175.510 0.017 0.000 1.154 914 N CA 0.607 53.659 53.050 0.005 0.000 0.907 914 N CB 0.284 38.795 38.487 0.040 0.000 0.977 914 N HN 0.189 nan 8.380 nan 0.000 0.449 915 S N 0.007 115.693 115.700 -0.024 0.000 2.539 915 S HA 0.271 4.742 4.470 0.003 0.000 0.221 915 S C 1.809 176.370 174.600 -0.064 0.000 0.987 915 S CA -0.366 57.818 58.200 -0.026 0.000 0.929 915 S CB 0.560 63.722 63.200 -0.063 0.000 0.832 915 S HN 0.213 nan 8.310 nan 0.000 0.492 916 L N 1.151 122.328 121.223 -0.076 0.000 2.191 916 L HA 0.039 4.381 4.340 0.003 0.000 0.212 916 L C 1.111 177.946 176.870 -0.058 0.000 1.103 916 L CA 0.724 55.518 54.840 -0.075 0.000 0.769 916 L CB -0.045 41.963 42.059 -0.085 0.000 0.908 916 L HN 0.257 nan 8.230 nan 0.000 0.438 917 S N -1.679 113.994 115.700 -0.045 0.000 2.533 917 S HA 0.121 4.593 4.470 0.003 0.000 0.271 917 S C 0.440 175.030 174.600 -0.016 0.000 1.143 917 S CA -0.788 57.391 58.200 -0.035 0.000 0.891 917 S CB 1.799 64.975 63.200 -0.040 0.000 1.105 917 S HN 0.233 nan 8.310 nan 0.000 0.468 918 E N 3.017 123.211 120.200 -0.010 0.000 2.106 918 E HA -0.099 4.253 4.350 0.003 0.000 0.192 918 E C 0.957 177.562 176.600 0.008 0.000 0.984 918 E CA 1.469 57.872 56.400 0.005 0.000 0.806 918 E CB -0.058 29.646 29.700 0.006 0.000 0.750 918 E HN 0.806 nan 8.360 nan 0.000 0.458 919 N N -1.148 117.553 118.700 0.001 0.000 2.239 919 N HA 0.027 4.768 4.740 0.003 0.000 0.208 919 N C -0.544 174.961 175.510 -0.009 0.000 1.200 919 N CA -0.327 52.726 53.050 0.005 0.000 0.895 919 N CB 0.753 39.238 38.487 -0.003 0.000 1.085 919 N HN -0.046 nan 8.380 nan 0.000 0.500 920 Q N 1.499 121.287 119.800 -0.021 0.000 2.295 920 Q HA 0.253 4.595 4.340 0.003 0.000 0.259 920 Q C -0.234 175.750 176.000 -0.026 0.000 0.976 920 Q CA 0.215 56.000 55.803 -0.030 0.000 0.923 920 Q CB 1.378 30.091 28.738 -0.042 0.000 1.185 920 Q HN 0.049 nan 8.270 nan 0.000 0.410 921 S N 1.999 117.692 115.700 -0.012 0.000 2.576 921 S HA 0.063 4.535 4.470 0.003 0.000 0.272 921 S C 1.543 176.114 174.600 -0.048 0.000 1.352 921 S CA -0.306 57.891 58.200 -0.005 0.000 1.021 921 S CB 0.390 63.609 63.200 0.032 0.000 0.887 921 S HN 0.558 nan 8.310 nan 0.000 0.542 922 L N 1.905 123.093 121.223 -0.059 0.000 2.633 922 L HA -0.091 4.251 4.340 0.003 0.000 0.235 922 L C 1.988 178.778 176.870 -0.133 0.000 1.163 922 L CA 0.535 55.306 54.840 -0.114 0.000 0.859 922 L CB -0.324 41.676 42.059 -0.099 0.000 0.973 922 L HN 0.646 nan 8.230 nan 0.000 0.451 923 M N -1.333 118.225 119.600 -0.071 0.000 2.248 923 M HA -0.045 4.436 4.480 0.003 0.000 0.265 923 M C 2.142 178.408 176.300 -0.056 0.000 1.079 923 M CA 1.410 56.682 55.300 -0.046 0.000 1.150 923 M CB -0.593 32.008 32.600 0.001 0.000 1.366 923 M HN 0.177 nan 8.290 nan 0.000 0.433 924 R N -0.418 120.048 120.500 -0.057 0.000 2.175 924 R HA 0.206 4.548 4.340 0.003 0.000 0.202 924 R C 0.529 176.773 176.300 -0.092 0.000 1.018 924 R CA 0.330 56.399 56.100 -0.052 0.000 1.029 924 R CB 0.022 30.302 30.300 -0.033 0.000 0.959 924 R HN 0.273 nan 8.270 nan 0.000 0.480 925 M N 2.316 121.841 119.600 -0.125 0.000 2.131 925 M HA 0.349 4.831 4.480 0.003 0.000 0.345 925 M C -2.553 173.576 176.300 -0.286 0.000 1.060 925 M CA -2.055 53.146 55.300 -0.164 0.000 1.011 925 M CB 1.617 34.148 32.600 -0.114 0.000 1.328 925 M HN -0.277 nan 8.290 nan 0.000 0.396 926 P HA 0.144 nan 4.420 nan 0.000 0.268 926 P C -2.324 174.488 177.300 -0.813 0.000 1.205 926 P CA -0.876 61.644 63.100 -0.966 0.000 0.771 926 P CB 0.254 30.902 31.700 -1.753 0.000 0.858 927 P HA -0.151 nan 4.420 nan 0.000 0.218 927 P C 0.607 177.822 177.300 -0.142 0.000 1.148 927 P CA 1.307 64.240 63.100 -0.278 0.000 0.822 927 P CB -0.358 31.271 31.700 -0.119 0.000 0.784 928 W N -2.258 119.047 121.300 0.009 0.000 3.077 928 W HA 0.171 4.832 4.660 0.003 0.000 0.245 928 W C 1.047 177.582 176.519 0.027 0.000 1.316 928 W CA -0.099 57.254 57.345 0.013 0.000 1.537 928 W CB -1.824 27.638 29.460 0.004 0.000 1.131 928 W HN -0.318 nan 8.180 nan 0.000 0.695 929 V N 1.887 121.734 119.914 -0.112 0.000 2.688 929 V HA -0.229 3.893 4.120 0.003 0.000 0.256 929 V C 0.832 176.974 176.094 0.081 0.000 1.084 929 V CA 1.907 64.198 62.300 -0.015 0.000 1.103 929 V CB -0.826 30.928 31.823 -0.115 0.000 0.688 929 V HN 0.356 nan 8.190 nan 0.000 0.480 930 N N 0.335 119.090 118.700 0.092 0.000 2.682 930 N HA 0.176 4.917 4.740 0.003 0.000 0.252 930 N C 0.567 176.198 175.510 0.201 0.000 1.081 930 N CA -0.334 52.813 53.050 0.162 0.000 0.844 930 N CB 1.070 39.622 38.487 0.109 0.000 1.167 930 N HN -0.022 nan 8.380 nan 0.000 0.523 931 I N 1.359 122.064 120.570 0.224 0.000 2.361 931 I HA -0.165 4.007 4.170 0.003 0.000 0.251 931 I C 1.477 177.672 176.117 0.130 0.000 1.133 931 I CA 0.896 62.277 61.300 0.135 0.000 1.413 931 I CB -0.804 37.215 38.000 0.032 0.000 1.073 931 I HN 0.523 nan 8.210 nan 0.000 0.424 932 W N 0.772 122.131 121.300 0.097 0.000 2.358 932 W HA -0.199 4.462 4.660 0.003 0.000 0.303 932 W C 2.511 179.064 176.519 0.057 0.000 1.208 932 W CA 0.709 58.124 57.345 0.117 0.000 1.274 932 W CB -0.958 28.660 29.460 0.262 0.000 1.138 932 W HN 0.076 nan 8.180 nan 0.000 0.515 933 L N 0.285 121.667 121.223 0.265 0.000 1.989 933 L HA -0.189 4.152 4.340 0.003 0.000 0.211 933 L C 2.182 179.092 176.870 0.068 0.000 1.071 933 L CA 1.905 56.804 54.840 0.098 0.000 0.749 933 L CB -1.235 40.840 42.059 0.028 0.000 0.890 933 L HN 0.009 nan 8.230 nan 0.000 0.431 934 L N -0.566 120.703 121.223 0.077 0.000 2.013 934 L HA -0.211 4.130 4.340 0.003 0.000 0.212 934 L C 2.536 179.431 176.870 0.041 0.000 1.073 934 L CA 1.608 56.481 54.840 0.056 0.000 0.753 934 L CB -1.561 40.542 42.059 0.075 0.000 0.890 934 L HN 0.518 nan 8.230 nan 0.000 0.432 935 G N -0.420 108.404 108.800 0.040 0.000 2.422 935 G HA2 -0.294 3.668 3.960 0.003 0.000 0.218 935 G HA3 -0.294 3.668 3.960 0.003 0.000 0.218 935 G C 1.788 176.714 174.900 0.042 0.000 1.146 935 G CA 1.055 46.166 45.100 0.018 0.000 0.769 935 G HN 0.531 nan 8.290 nan 0.000 0.547 936 S N 0.670 116.413 115.700 0.071 0.000 2.368 936 S HA -0.037 4.435 4.470 0.003 0.000 0.224 936 S C 2.329 176.951 174.600 0.036 0.000 1.029 936 S CA 1.061 59.296 58.200 0.059 0.000 0.988 936 S CB -0.393 62.836 63.200 0.049 0.000 0.838 936 S HN 0.351 nan 8.310 nan 0.000 0.462 937 I N 1.379 121.966 120.570 0.029 0.000 2.226 937 I HA -0.203 3.969 4.170 0.003 0.000 0.245 937 I C 2.635 178.777 176.117 0.041 0.000 1.100 937 I CA 1.060 62.378 61.300 0.030 0.000 1.374 937 I CB -0.757 37.255 38.000 0.021 0.000 1.057 937 I HN 0.415 nan 8.210 nan 0.000 0.413 938 C N 0.329 119.647 119.300 0.030 0.000 2.413 938 C HA -0.165 4.296 4.460 0.003 0.000 0.276 938 C C 2.765 177.781 174.990 0.044 0.000 1.248 938 C CA 0.601 59.633 59.018 0.023 0.000 1.742 938 C CB -0.968 26.772 27.740 0.000 0.000 2.017 938 C HN 0.517 nan 8.230 nan 0.000 0.481 939 L N 0.869 122.120 121.223 0.046 0.000 2.093 939 L HA -0.051 4.291 4.340 0.003 0.000 0.208 939 L C 2.455 179.382 176.870 0.095 0.000 1.085 939 L CA 1.913 56.790 54.840 0.061 0.000 0.755 939 L CB -0.665 41.424 42.059 0.049 0.000 0.904 939 L HN 0.191 nan 8.230 nan 0.000 0.435 940 S N -0.872 114.880 115.700 0.086 0.000 2.383 940 S HA -0.098 4.374 4.470 0.003 0.000 0.227 940 S C 1.888 176.608 174.600 0.200 0.000 1.026 940 S CA 1.407 59.672 58.200 0.108 0.000 0.981 940 S CB -0.195 63.043 63.200 0.063 0.000 0.818 940 S HN 0.354 nan 8.310 nan 0.000 0.472 941 M N 1.843 121.557 119.600 0.191 0.000 2.099 941 M HA -0.029 4.453 4.480 0.003 0.000 0.262 941 M C 2.466 179.032 176.300 0.444 0.000 1.067 941 M CA 1.462 56.943 55.300 0.302 0.000 1.124 941 M CB -1.949 30.778 32.600 0.212 0.000 1.353 941 M HN 0.432 nan 8.290 nan 0.000 0.410 942 S N 0.391 116.248 115.700 0.261 0.000 2.382 942 S HA -0.112 4.360 4.470 0.003 0.000 0.228 942 S C 2.099 176.886 174.600 0.312 0.000 1.027 942 S CA 1.095 59.429 58.200 0.223 0.000 0.991 942 S CB -1.020 62.233 63.200 0.088 0.000 0.823 942 S HN 0.463 nan 8.310 nan 0.000 0.469 943 L N 0.593 122.003 121.223 0.310 0.000 2.141 943 L HA -0.080 4.262 4.340 0.003 0.000 0.209 943 L C 2.864 179.997 176.870 0.438 0.000 1.094 943 L CA 1.694 56.761 54.840 0.377 0.000 0.763 943 L CB -0.594 41.697 42.059 0.386 0.000 0.908 943 L HN 0.403 nan 8.230 nan 0.000 0.437 944 H N -0.321 118.951 119.070 0.337 0.000 2.353 944 H HA -0.180 4.377 4.556 0.003 0.000 0.300 944 H C 1.960 177.369 175.328 0.135 0.000 1.090 944 H CA 1.753 57.929 56.048 0.213 0.000 1.327 944 H CB -0.171 29.706 29.762 0.193 0.000 1.383 944 H HN 0.157 nan 8.280 nan 0.000 0.508 945 F N -0.401 119.652 119.950 0.171 0.000 2.216 945 F HA -0.119 4.410 4.527 0.003 0.000 0.300 945 F C 2.374 178.279 175.800 0.175 0.000 1.085 945 F CA 0.928 59.044 58.000 0.194 0.000 1.326 945 F CB -0.544 38.556 39.000 0.166 0.000 1.027 945 F HN 0.229 nan 8.300 nan 0.000 0.497 946 L N 1.291 122.683 121.223 0.282 0.000 1.971 946 L HA -0.229 4.113 4.340 0.003 0.000 0.215 946 L C 2.272 179.174 176.870 0.053 0.000 1.072 946 L CA 2.108 57.053 54.840 0.175 0.000 0.758 946 L CB -0.912 41.251 42.059 0.173 0.000 0.889 946 L HN 0.303 nan 8.230 nan 0.000 0.433 947 I N -3.341 117.145 120.570 -0.140 0.000 2.756 947 I HA -0.196 3.976 4.170 0.003 0.000 0.262 947 I C 2.063 178.040 176.117 -0.234 0.000 1.225 947 I CA 1.153 62.278 61.300 -0.292 0.000 1.472 947 I CB -0.549 36.972 38.000 -0.797 0.000 1.094 947 I HN 0.258 nan 8.210 nan 0.000 0.454 948 L N -0.805 120.284 121.223 -0.223 0.000 2.418 948 L HA 0.008 4.350 4.340 0.003 0.000 0.218 948 L C 1.656 178.280 176.870 -0.409 0.000 1.125 948 L CA 0.928 55.566 54.840 -0.336 0.000 0.835 948 L CB -0.071 41.736 42.059 -0.419 0.000 0.953 948 L HN 0.271 nan 8.230 nan 0.000 0.454 949 Y N -2.336 117.942 120.300 -0.038 0.000 2.652 949 Y HA 0.148 4.700 4.550 0.003 0.000 0.275 949 Y C 1.082 176.985 175.900 0.006 0.000 1.133 949 Y CA -0.491 57.613 58.100 0.007 0.000 1.246 949 Y CB 0.384 38.882 38.460 0.063 0.000 1.334 949 Y HN -0.362 nan 8.280 nan 0.000 0.493 950 V N 3.678 123.686 119.914 0.156 0.000 2.324 950 V HA -0.076 4.046 4.120 0.003 0.000 0.244 950 V C 0.554 176.676 176.094 0.046 0.000 1.144 950 V CA 0.006 62.362 62.300 0.095 0.000 1.158 950 V CB -0.706 31.169 31.823 0.086 0.000 1.254 950 V HN 0.403 nan 8.190 nan 0.000 0.492 951 D N 4.789 125.209 120.400 0.033 0.000 4.047 951 D HA -0.262 4.380 4.640 0.003 0.000 0.199 951 D C -0.309 175.987 176.300 -0.005 0.000 1.319 951 D CA 2.386 56.389 54.000 0.004 0.000 0.865 951 D CB -1.331 39.474 40.800 0.008 0.000 0.911 951 D HN 0.485 nan 8.370 nan 0.000 0.579 952 P HA -0.079 nan 4.420 nan 0.000 0.215 952 P C 2.029 179.322 177.300 -0.011 0.000 1.153 952 P CA 0.749 63.847 63.100 -0.005 0.000 0.853 952 P CB -0.106 31.599 31.700 0.008 0.000 0.788 953 L N 0.126 121.357 121.223 0.013 0.000 1.994 953 L HA -0.084 4.257 4.340 0.003 0.000 0.208 953 L C -0.211 176.701 176.870 0.071 0.000 1.071 953 L CA 2.037 56.910 54.840 0.056 0.000 0.745 953 L CB -2.468 39.620 42.059 0.048 0.000 0.892 953 L HN 0.082 nan 8.230 nan 0.000 0.431 954 P HA -0.258 nan 4.420 nan 0.000 0.216 954 P C 1.746 179.018 177.300 -0.047 0.000 1.150 954 P CA 1.816 64.880 63.100 -0.061 0.000 0.843 954 P CB -0.116 31.504 31.700 -0.134 0.000 0.787 955 M N -0.967 118.602 119.600 -0.052 0.000 2.349 955 M HA -0.033 4.449 4.480 0.003 0.000 0.266 955 M C 2.065 178.314 176.300 -0.084 0.000 1.076 955 M CA 1.253 56.514 55.300 -0.065 0.000 1.126 955 M CB -0.378 32.185 32.600 -0.061 0.000 1.392 955 M HN -0.159 nan 8.290 nan 0.000 0.440 956 I N -0.506 119.996 120.570 -0.114 0.000 2.353 956 I HA -0.242 3.930 4.170 0.003 0.000 0.248 956 I C 1.254 177.160 176.117 -0.353 0.000 1.119 956 I CA 1.123 62.275 61.300 -0.248 0.000 1.417 956 I CB -0.243 37.543 38.000 -0.358 0.000 1.078 956 I HN 0.161 nan 8.210 nan 0.000 0.421 957 F N 0.723 120.601 119.950 -0.121 0.000 2.765 957 F HA 0.141 4.669 4.527 0.003 0.000 0.302 957 F C 0.751 176.480 175.800 -0.119 0.000 1.111 957 F CA -0.076 57.847 58.000 -0.127 0.000 1.359 957 F CB -0.073 38.802 39.000 -0.207 0.000 1.097 957 F HN -0.185 nan 8.300 nan 0.000 0.577 958 K N 1.061 121.467 120.400 0.010 0.000 3.239 958 K HA -0.151 4.171 4.320 0.003 0.000 0.270 958 K C -1.088 175.464 176.600 -0.079 0.000 1.049 958 K CA 0.280 56.542 56.287 -0.042 0.000 0.769 958 K CB -1.587 30.893 32.500 -0.034 0.000 1.305 958 K HN 0.245 nan 8.250 nan 0.000 0.469 959 L N -0.512 120.648 121.223 -0.105 0.000 2.279 959 L HA 0.681 5.022 4.340 0.003 0.000 0.262 959 L C -0.050 176.676 176.870 -0.239 0.000 1.019 959 L CA -1.302 53.424 54.840 -0.191 0.000 0.823 959 L CB 1.859 43.786 42.059 -0.220 0.000 1.358 959 L HN -0.127 nan 8.230 nan 0.000 0.432 960 K N 1.063 121.277 120.400 -0.310 0.000 2.588 960 K HA 0.479 4.801 4.320 0.003 0.000 0.250 960 K C -1.096 175.271 176.600 -0.388 0.000 0.972 960 K CA -0.474 55.621 56.287 -0.321 0.000 0.821 960 K CB 2.150 34.486 32.500 -0.274 0.000 1.249 960 K HN 0.722 nan 8.250 nan 0.000 0.442 961 A N 4.566 127.109 122.820 -0.461 0.000 2.598 961 A HA 0.065 4.387 4.320 0.003 0.000 0.239 961 A C 0.283 177.687 177.584 -0.301 0.000 1.032 961 A CA 0.453 52.201 52.037 -0.482 0.000 0.760 961 A CB -0.223 18.401 19.000 -0.628 0.000 0.946 961 A HN 0.600 nan 8.150 nan 0.000 0.512 962 L N 1.779 122.794 121.223 -0.347 0.000 2.421 962 L HA 0.283 4.625 4.340 0.003 0.000 0.263 962 L C 0.479 177.303 176.870 -0.077 0.000 1.122 962 L CA -0.710 53.928 54.840 -0.337 0.000 0.804 962 L CB 0.865 42.473 42.059 -0.751 0.000 1.150 962 L HN 0.799 nan 8.230 nan 0.000 0.457 963 D N 0.100 120.503 120.400 0.005 0.000 2.344 963 D HA 0.090 4.731 4.640 0.003 0.000 0.244 963 D C 0.746 177.170 176.300 0.207 0.000 1.134 963 D CA -0.344 53.728 54.000 0.120 0.000 0.930 963 D CB 1.129 42.000 40.800 0.119 0.000 1.175 963 D HN 0.293 nan 8.370 nan 0.000 0.437 964 L N 1.970 123.339 121.223 0.243 0.000 2.447 964 L HA -0.085 4.257 4.340 0.003 0.000 0.225 964 L C 1.821 178.837 176.870 0.244 0.000 1.148 964 L CA 1.653 56.664 54.840 0.285 0.000 0.808 964 L CB -0.417 41.763 42.059 0.202 0.000 0.928 964 L HN 0.529 nan 8.230 nan 0.000 0.448 965 T N -1.960 112.715 114.554 0.202 0.000 2.976 965 T HA -0.076 4.276 4.350 0.003 0.000 0.257 965 T C 1.736 176.555 174.700 0.199 0.000 1.051 965 T CA 0.807 63.020 62.100 0.189 0.000 1.141 965 T CB 0.066 69.045 68.868 0.185 0.000 0.881 965 T HN 0.409 nan 8.240 nan 0.000 0.461 966 Q N -0.200 119.715 119.800 0.192 0.000 2.079 966 Q HA -0.071 4.270 4.340 0.003 0.000 0.200 966 Q C 2.063 178.094 176.000 0.051 0.000 0.974 966 Q CA 1.196 57.081 55.803 0.137 0.000 0.840 966 Q CB -0.192 28.586 28.738 0.067 0.000 0.898 966 Q HN 0.597 nan 8.270 nan 0.000 0.430 967 W N 0.651 121.984 121.300 0.056 0.000 2.355 967 W HA -0.213 4.449 4.660 0.003 0.000 0.309 967 W C 1.908 178.431 176.519 0.007 0.000 1.206 967 W CA 0.017 57.385 57.345 0.038 0.000 1.284 967 W CB -0.119 29.393 29.460 0.087 0.000 1.145 967 W HN 0.148 nan 8.180 nan 0.000 0.502 968 L N -0.215 121.186 121.223 0.297 0.000 2.189 968 L HA -0.257 4.085 4.340 0.003 0.000 0.214 968 L C 2.289 179.187 176.870 0.046 0.000 1.097 968 L CA 1.788 56.718 54.840 0.151 0.000 0.764 968 L CB -1.132 41.003 42.059 0.126 0.000 0.900 968 L HN 0.073 nan 8.230 nan 0.000 0.436 969 M N -1.962 117.615 119.600 -0.038 0.000 2.288 969 M HA -0.057 4.425 4.480 0.003 0.000 0.266 969 M C 2.053 178.233 176.300 -0.201 0.000 1.072 969 M CA 1.392 56.534 55.300 -0.264 0.000 1.132 969 M CB -0.345 31.843 32.600 -0.686 0.000 1.386 969 M HN -0.011 nan 8.290 nan 0.000 0.432 970 V N 0.399 120.280 119.914 -0.054 0.000 2.343 970 V HA -0.275 3.847 4.120 0.003 0.000 0.247 970 V C 2.358 178.489 176.094 0.062 0.000 1.051 970 V CA 1.803 64.119 62.300 0.026 0.000 1.036 970 V CB -0.825 31.125 31.823 0.211 0.000 0.654 970 V HN 0.520 nan 8.190 nan 0.000 0.451 971 L N -0.710 120.571 121.223 0.097 0.000 2.201 971 L HA -0.154 4.188 4.340 0.003 0.000 0.212 971 L C 2.487 179.376 176.870 0.031 0.000 1.105 971 L CA 1.428 56.309 54.840 0.069 0.000 0.775 971 L CB -0.649 41.451 42.059 0.067 0.000 0.913 971 L HN 0.297 nan 8.230 nan 0.000 0.440 972 K N 0.095 120.490 120.400 -0.007 0.000 2.155 972 K HA -0.085 4.237 4.320 0.003 0.000 0.203 972 K C 2.033 178.623 176.600 -0.017 0.000 1.052 972 K CA 1.086 57.358 56.287 -0.025 0.000 0.948 972 K CB 0.128 32.583 32.500 -0.075 0.000 0.728 972 K HN 0.266 nan 8.250 nan 0.000 0.448 973 I N -0.070 120.477 120.570 -0.038 0.000 3.035 973 I HA -0.133 4.038 4.170 0.003 0.000 0.271 973 I C 1.506 177.680 176.117 0.096 0.000 1.190 973 I CA 0.541 61.829 61.300 -0.020 0.000 1.472 973 I CB 0.376 38.307 38.000 -0.115 0.000 1.116 973 I HN 0.008 nan 8.210 nan 0.000 0.443 974 S N 0.818 116.574 115.700 0.093 0.000 2.315 974 S HA 0.006 4.478 4.470 0.003 0.000 0.211 974 S C 1.809 176.481 174.600 0.121 0.000 1.029 974 S CA 0.448 58.731 58.200 0.139 0.000 0.956 974 S CB -0.331 62.928 63.200 0.097 0.000 0.918 974 S HN 0.214 nan 8.310 nan 0.000 0.470 975 L N 2.599 123.866 121.223 0.072 0.000 2.113 975 L HA -0.154 4.187 4.340 0.003 0.000 0.221 975 L C -0.692 176.188 176.870 0.016 0.000 1.084 975 L CA 1.994 56.857 54.840 0.039 0.000 0.787 975 L CB -2.865 39.214 42.059 0.032 0.000 0.893 975 L HN 0.301 nan 8.230 nan 0.000 0.440 976 P HA -0.135 nan 4.420 nan 0.000 0.223 976 P C 2.017 179.224 177.300 -0.154 0.000 1.144 976 P CA 0.913 64.011 63.100 -0.004 0.000 0.783 976 P CB -0.068 31.684 31.700 0.087 0.000 0.771 977 V N 0.332 120.106 119.914 -0.235 0.000 2.392 977 V HA -0.230 3.892 4.120 0.003 0.000 0.249 977 V C 2.456 178.412 176.094 -0.231 0.000 1.059 977 V CA 1.485 63.514 62.300 -0.452 0.000 1.051 977 V CB -0.910 30.743 31.823 -0.284 0.000 0.658 977 V HN -0.023 nan 8.190 nan 0.000 0.455 978 I N 0.245 120.746 120.570 -0.115 0.000 2.264 978 I HA -0.178 3.994 4.170 0.003 0.000 0.248 978 I C 2.474 178.554 176.117 -0.063 0.000 1.111 978 I CA 1.605 62.865 61.300 -0.067 0.000 1.382 978 I CB -0.918 37.061 38.000 -0.034 0.000 1.060 978 I HN 0.456 nan 8.210 nan 0.000 0.418 979 G N 0.949 109.707 108.800 -0.070 0.000 2.394 979 G HA2 -0.232 3.730 3.960 0.003 0.000 0.215 979 G HA3 -0.232 3.730 3.960 0.003 0.000 0.215 979 G C 1.623 176.490 174.900 -0.055 0.000 1.165 979 G CA 0.422 45.493 45.100 -0.048 0.000 0.784 979 G HN 0.265 nan 8.290 nan 0.000 0.535 980 L N 1.083 122.236 121.223 -0.116 0.000 2.013 980 L HA -0.079 4.263 4.340 0.003 0.000 0.212 980 L C 2.054 178.884 176.870 -0.067 0.000 1.073 980 L CA 2.713 57.483 54.840 -0.117 0.000 0.753 980 L CB -0.711 41.191 42.059 -0.262 0.000 0.890 980 L HN 0.196 nan 8.230 nan 0.000 0.432 981 D N -1.075 119.276 120.400 -0.081 0.000 2.149 981 D HA -0.176 4.466 4.640 0.003 0.000 0.201 981 D C 2.090 178.408 176.300 0.029 0.000 0.972 981 D CA 0.818 54.796 54.000 -0.037 0.000 0.835 981 D CB 0.135 40.910 40.800 -0.042 0.000 0.966 981 D HN 0.434 nan 8.370 nan 0.000 0.476 982 E N -0.149 120.066 120.200 0.024 0.000 2.085 982 E HA -0.126 4.225 4.350 0.003 0.000 0.194 982 E C 2.081 178.762 176.600 0.136 0.000 0.994 982 E CA 0.930 57.369 56.400 0.064 0.000 0.801 982 E CB -0.143 29.577 29.700 0.034 0.000 0.743 982 E HN 0.400 nan 8.360 nan 0.000 0.453 983 I N -0.165 120.472 120.570 0.112 0.000 2.252 983 I HA -0.236 3.935 4.170 0.003 0.000 0.245 983 I C 2.138 178.433 176.117 0.296 0.000 1.102 983 I CA 0.719 62.119 61.300 0.166 0.000 1.385 983 I CB -0.207 37.852 38.000 0.098 0.000 1.064 983 I HN 0.122 nan 8.210 nan 0.000 0.414 984 L N 0.526 121.900 121.223 0.253 0.000 2.083 984 L HA -0.204 4.138 4.340 0.003 0.000 0.209 984 L C 2.539 179.704 176.870 0.491 0.000 1.083 984 L CA 1.472 56.546 54.840 0.390 0.000 0.752 984 L CB -0.486 41.652 42.059 0.131 0.000 0.899 984 L HN 0.208 nan 8.230 nan 0.000 0.433 985 K N -0.608 119.966 120.400 0.289 0.000 2.062 985 K HA -0.169 4.152 4.320 0.003 0.000 0.205 985 K C 2.065 178.777 176.600 0.187 0.000 1.051 985 K CA 1.250 57.669 56.287 0.220 0.000 0.941 985 K CB -0.257 32.316 32.500 0.122 0.000 0.719 985 K HN 0.070 nan 8.250 nan 0.000 0.440 986 F N 2.044 122.049 119.950 0.092 0.000 2.154 986 F HA -0.212 4.317 4.527 0.003 0.000 0.301 986 F C 1.813 177.631 175.800 0.029 0.000 1.087 986 F CA 1.360 59.386 58.000 0.043 0.000 1.274 986 F CB -0.031 39.008 39.000 0.064 0.000 1.009 986 F HN -0.078 nan 8.300 nan 0.000 0.485 987 I N -0.243 120.516 120.570 0.315 0.000 2.353 987 I HA -0.221 3.950 4.170 0.003 0.000 0.248 987 I C 2.580 178.564 176.117 -0.222 0.000 1.119 987 I CA 1.014 62.423 61.300 0.181 0.000 1.417 987 I CB -0.810 37.352 38.000 0.271 0.000 1.078 987 I HN 0.185 nan 8.210 nan 0.000 0.421 988 A N 0.718 123.416 122.820 -0.204 0.000 2.066 988 A HA -0.099 4.222 4.320 0.003 0.000 0.218 988 A C 2.367 179.805 177.584 -0.244 0.000 1.157 988 A CA 1.087 52.934 52.037 -0.318 0.000 0.670 988 A CB -0.354 18.657 19.000 0.019 0.000 0.804 988 A HN 0.311 nan 8.150 nan 0.000 0.453 989 R N -0.786 119.553 120.500 -0.269 0.000 2.066 989 R HA 0.018 4.360 4.340 0.003 0.000 0.224 989 R C 1.049 177.075 176.300 -0.458 0.000 1.122 989 R CA 1.476 57.381 56.100 -0.325 0.000 0.974 989 R CB -0.180 29.917 30.300 -0.339 0.000 0.871 989 R HN 0.506 nan 8.270 nan 0.000 0.435 990 N N -1.056 117.213 118.700 -0.718 0.000 2.299 990 N HA 0.018 4.760 4.740 0.003 0.000 0.187 990 N C -0.288 174.562 175.510 -1.099 0.000 1.099 990 N CA 0.497 52.978 53.050 -0.947 0.000 0.867 990 N CB 0.642 38.348 38.487 -1.301 0.000 0.974 990 N HN 0.178 nan 8.380 nan 0.000 0.477 991 Y N -0.883 119.272 120.300 -0.242 0.000 2.717 991 Y HA 0.440 4.991 4.550 0.003 0.000 0.250 991 Y C 0.441 176.191 175.900 -0.250 0.000 1.149 991 Y CA -0.334 57.639 58.100 -0.212 0.000 1.211 991 Y CB 0.509 38.850 38.460 -0.197 0.000 1.289 991 Y HN -0.076 nan 8.280 nan 0.000 0.552 992 L N -0.004 121.101 121.223 -0.197 0.000 3.429 992 L HA 0.308 4.650 4.340 0.003 0.000 0.311 992 L C -0.254 176.533 176.870 -0.138 0.000 1.274 992 L CA 0.085 54.812 54.840 -0.187 0.000 1.037 992 L CB 0.798 42.689 42.059 -0.279 0.000 1.433 992 L HN -0.096 nan 8.230 nan 0.000 0.614 993 E N 1.570 121.686 120.200 -0.139 0.000 2.081 993 E HA 0.680 5.032 4.350 0.003 0.000 0.281 993 E C 0.174 176.726 176.600 -0.079 0.000 0.986 993 E CA 0.000 56.334 56.400 -0.110 0.000 0.796 993 E CB 1.931 31.551 29.700 -0.133 0.000 1.085 993 E HN 0.291 nan 8.360 nan 0.000 0.398 994 G N 0.000 108.765 108.800 -0.059 0.000 5.446 994 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 994 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 994 G CA 0.000 45.074 45.100 -0.043 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925