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 3fgo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.186 176.300 -0.191 0.000 1.140 1 M CA 0.000 55.145 55.300 -0.258 0.000 0.988 1 M CB 0.000 32.331 32.600 -0.448 0.000 1.302 2 E N 2.771 122.850 120.200 -0.201 0.000 2.250 2 E HA 0.761 5.111 4.350 0.001 0.000 0.265 2 E C 0.445 176.974 176.600 -0.118 0.000 1.033 2 E CA 0.135 56.476 56.400 -0.097 0.000 0.888 2 E CB 1.550 31.222 29.700 -0.048 0.000 1.151 2 E HN 0.994 nan 8.360 nan 0.000 0.412 3 A N 0.851 123.651 122.820 -0.034 0.000 2.783 3 A HA -0.277 4.044 4.320 0.001 0.000 0.292 3 A C 1.358 178.860 177.584 -0.136 0.000 1.495 3 A CA 0.988 52.979 52.037 -0.077 0.000 0.787 3 A CB -2.162 16.758 19.000 -0.134 0.000 1.017 3 A HN 0.705 nan 8.150 nan 0.000 0.516 4 A N 0.321 123.115 122.820 -0.043 0.000 1.978 4 A HA -0.134 4.186 4.320 0.001 0.000 0.220 4 A C 1.841 179.416 177.584 -0.015 0.000 1.170 4 A CA 1.967 53.977 52.037 -0.045 0.000 0.636 4 A CB -0.890 18.107 19.000 -0.005 0.000 0.810 4 A HN 1.593 nan 8.150 nan 0.000 0.448 5 H N -0.103 118.966 119.070 -0.002 0.000 2.457 5 H HA -0.043 4.513 4.556 0.001 0.000 0.294 5 H C 1.709 177.052 175.328 0.026 0.000 1.064 5 H CA 1.717 57.776 56.048 0.018 0.000 1.330 5 H CB -0.580 29.211 29.762 0.048 0.000 1.395 5 H HN 0.518 nan 8.280 nan 0.000 0.541 6 S N 0.211 115.572 115.700 -0.565 0.000 2.503 6 S HA 0.116 4.586 4.470 0.001 0.000 0.217 6 S C 0.869 175.375 174.600 -0.156 0.000 0.999 6 S CA -0.431 57.567 58.200 -0.337 0.000 0.914 6 S CB 0.444 63.409 63.200 -0.391 0.000 0.782 6 S HN 0.233 nan 8.310 nan 0.000 0.520 7 K N 2.867 123.183 120.400 -0.140 0.000 2.258 7 K HA 0.290 4.610 4.320 0.001 0.000 0.264 7 K C 0.500 177.080 176.600 -0.033 0.000 1.007 7 K CA -0.070 56.170 56.287 -0.079 0.000 0.941 7 K CB 0.607 33.055 32.500 -0.087 0.000 0.966 7 K HN 0.423 nan 8.250 nan 0.000 0.480 8 S N -0.219 115.472 115.700 -0.015 0.000 2.645 8 S HA 0.015 4.486 4.470 0.001 0.000 0.266 8 S C 1.498 176.106 174.600 0.014 0.000 1.258 8 S CA -0.161 58.042 58.200 0.004 0.000 0.990 8 S CB 1.120 64.322 63.200 0.004 0.000 0.967 8 S HN 0.733 nan 8.310 nan 0.000 0.556 9 T N -0.728 113.840 114.554 0.024 0.000 2.788 9 T HA -0.156 4.195 4.350 0.001 0.000 0.268 9 T C 1.482 176.204 174.700 0.037 0.000 1.044 9 T CA 1.289 63.409 62.100 0.032 0.000 1.139 9 T CB -0.773 68.113 68.868 0.030 0.000 0.867 9 T HN 0.768 nan 8.240 nan 0.000 0.454 10 E N 2.038 122.255 120.200 0.029 0.000 2.153 10 E HA -0.163 4.187 4.350 0.001 0.000 0.194 10 E C 1.951 178.576 176.600 0.042 0.000 0.988 10 E CA 1.238 57.658 56.400 0.033 0.000 0.811 10 E CB -0.504 29.209 29.700 0.022 0.000 0.746 10 E HN 0.730 nan 8.360 nan 0.000 0.466 11 E N 0.348 120.567 120.200 0.032 0.000 2.152 11 E HA -0.066 4.285 4.350 0.001 0.000 0.192 11 E C 2.208 178.841 176.600 0.055 0.000 0.983 11 E CA 1.082 57.502 56.400 0.033 0.000 0.818 11 E CB -0.174 29.529 29.700 0.005 0.000 0.758 11 E HN 0.238 nan 8.360 nan 0.000 0.467 12 C N 0.777 120.108 119.300 0.052 0.000 2.446 12 C HA -0.081 4.380 4.460 0.001 0.000 0.277 12 C C 2.573 177.688 174.990 0.208 0.000 1.275 12 C CA 0.423 59.498 59.018 0.095 0.000 1.727 12 C CB -0.833 26.960 27.740 0.088 0.000 2.010 12 C HN 0.397 nan 8.230 nan 0.000 0.486 13 L N 1.010 122.329 121.223 0.159 0.000 2.056 13 L HA -0.121 4.220 4.340 0.001 0.000 0.207 13 L C 2.850 179.821 176.870 0.167 0.000 1.078 13 L CA 1.635 56.578 54.840 0.172 0.000 0.749 13 L CB -0.749 41.372 42.059 0.102 0.000 0.901 13 L HN 0.320 nan 8.230 nan 0.000 0.433 14 A N -1.127 121.763 122.820 0.117 0.000 2.066 14 A HA -0.246 4.075 4.320 0.001 0.000 0.218 14 A C 2.132 179.762 177.584 0.076 0.000 1.157 14 A CA 0.971 53.058 52.037 0.083 0.000 0.670 14 A CB -0.704 18.328 19.000 0.053 0.000 0.804 14 A HN 0.494 nan 8.150 nan 0.000 0.453 15 Y N -0.944 119.319 120.300 -0.061 0.000 2.200 15 Y HA -0.131 4.420 4.550 0.001 0.000 0.290 15 Y C 1.533 177.286 175.900 -0.244 0.000 1.137 15 Y CA 1.853 59.826 58.100 -0.211 0.000 1.163 15 Y CB -0.181 38.053 38.460 -0.378 0.000 0.988 15 Y HN 0.282 nan 8.280 nan 0.000 0.518 16 F N -0.010 120.041 119.950 0.168 0.000 2.776 16 F HA 0.267 4.794 4.527 0.001 0.000 0.300 16 F C 1.658 177.494 175.800 0.060 0.000 1.116 16 F CA 0.401 58.469 58.000 0.114 0.000 1.375 16 F CB 0.034 39.167 39.000 0.222 0.000 1.109 16 F HN 0.090 nan 8.300 nan 0.000 0.585 17 G N 2.120 111.025 108.800 0.176 0.000 2.350 17 G HA2 -0.142 3.818 3.960 0.001 0.000 0.298 17 G HA3 -0.142 3.818 3.960 0.001 0.000 0.298 17 G C -0.307 174.667 174.900 0.123 0.000 1.037 17 G CA 0.352 45.518 45.100 0.109 0.000 1.074 17 G HN 0.513 nan 8.290 nan 0.000 0.511 18 V N -2.795 117.206 119.914 0.145 0.000 2.914 18 V HA 0.936 5.057 4.120 0.001 0.000 0.314 18 V C 0.275 176.413 176.094 0.075 0.000 1.084 18 V CA -0.372 61.988 62.300 0.100 0.000 0.963 18 V CB 1.971 33.855 31.823 0.101 0.000 1.025 18 V HN 1.226 nan 8.190 nan 0.000 0.432 19 S N 0.980 116.706 115.700 0.043 0.000 2.554 19 S HA 0.286 4.757 4.470 0.001 0.000 0.278 19 S C 0.875 175.481 174.600 0.010 0.000 1.242 19 S CA 0.305 58.519 58.200 0.024 0.000 1.051 19 S CB 1.256 64.462 63.200 0.010 0.000 0.986 19 S HN 1.114 nan 8.310 nan 0.000 0.502 20 E N 2.334 122.532 120.200 -0.004 0.000 2.265 20 E HA -0.123 4.228 4.350 0.001 0.000 0.196 20 E C 0.966 177.512 176.600 -0.091 0.000 0.996 20 E CA 1.553 57.933 56.400 -0.032 0.000 0.832 20 E CB -0.132 29.549 29.700 -0.032 0.000 0.756 20 E HN 0.814 nan 8.360 nan 0.000 0.491 21 T N -2.951 111.555 114.554 -0.079 0.000 3.186 21 T HA 0.216 4.567 4.350 0.001 0.000 0.257 21 T C 0.987 175.646 174.700 -0.069 0.000 1.029 21 T CA 0.103 62.132 62.100 -0.118 0.000 0.916 21 T CB 0.873 69.686 68.868 -0.092 0.000 1.041 21 T HN -0.064 nan 8.240 nan 0.000 0.562 22 T N 0.113 114.651 114.554 -0.026 0.000 3.313 22 T HA 0.583 4.933 4.350 0.001 0.000 0.266 22 T C 0.893 175.621 174.700 0.047 0.000 0.987 22 T CA 0.557 62.666 62.100 0.014 0.000 1.086 22 T CB 0.341 69.216 68.868 0.011 0.000 1.159 22 T HN 0.810 nan 8.240 nan 0.000 0.450 23 G N 1.506 110.328 108.800 0.036 0.000 2.757 23 G HA2 -0.120 3.840 3.960 0.001 0.000 0.638 23 G HA3 -0.120 3.840 3.960 0.001 0.000 0.638 23 G C -0.668 174.235 174.900 0.005 0.000 1.344 23 G CA -0.759 44.362 45.100 0.036 0.000 0.855 23 G HN 0.530 nan 8.290 nan 0.000 0.537 24 L N 0.884 122.088 121.223 -0.032 0.000 2.499 24 L HA 0.368 4.708 4.340 0.001 0.000 0.281 24 L C 1.896 178.732 176.870 -0.056 0.000 1.234 24 L CA 0.365 55.160 54.840 -0.074 0.000 0.839 24 L CB 0.226 42.188 42.059 -0.162 0.000 1.104 24 L HN 1.020 nan 8.230 nan 0.000 0.500 25 T N -1.250 113.268 114.554 -0.061 0.000 2.882 25 T HA 0.221 4.571 4.350 0.001 0.000 0.287 25 T C -1.911 172.752 174.700 -0.061 0.000 1.014 25 T CA -1.709 60.364 62.100 -0.044 0.000 1.049 25 T CB 1.322 70.171 68.868 -0.032 0.000 1.001 25 T HN 0.361 nan 8.240 nan 0.000 0.525 26 P HA -0.016 nan 4.420 nan 0.000 0.218 26 P C 0.877 178.151 177.300 -0.044 0.000 1.149 26 P CA 0.771 63.846 63.100 -0.042 0.000 0.817 26 P CB 0.055 31.741 31.700 -0.024 0.000 0.785 27 D N -0.642 119.737 120.400 -0.037 0.000 2.084 27 D HA -0.152 4.488 4.640 0.001 0.000 0.196 27 D C 2.099 178.371 176.300 -0.047 0.000 0.985 27 D CA 1.163 55.146 54.000 -0.029 0.000 0.826 27 D CB -0.669 40.122 40.800 -0.015 0.000 0.978 27 D HN 0.236 nan 8.370 nan 0.000 0.456 28 Q N 0.205 119.955 119.800 -0.082 0.000 2.077 28 Q HA -0.147 4.193 4.340 0.001 0.000 0.206 28 Q C 2.367 178.199 176.000 -0.280 0.000 0.989 28 Q CA 1.201 56.899 55.803 -0.176 0.000 0.853 28 Q CB -0.247 28.340 28.738 -0.252 0.000 0.907 28 Q HN 0.155 nan 8.270 nan 0.000 0.418 29 V N 1.146 120.927 119.914 -0.222 0.000 2.324 29 V HA -0.317 3.803 4.120 0.001 0.000 0.250 29 V C 2.207 178.266 176.094 -0.058 0.000 1.060 29 V CA 2.050 64.256 62.300 -0.158 0.000 1.042 29 V CB -0.494 31.270 31.823 -0.100 0.000 0.650 29 V HN 0.304 nan 8.190 nan 0.000 0.450 30 K N -0.368 120.007 120.400 -0.041 0.000 2.026 30 K HA -0.230 4.090 4.320 0.001 0.000 0.208 30 K C 2.376 178.988 176.600 0.021 0.000 1.048 30 K CA 1.775 58.056 56.287 -0.010 0.000 0.929 30 K CB -0.165 32.331 32.500 -0.007 0.000 0.713 30 K HN 0.270 nan 8.250 nan 0.000 0.439 31 R N 0.083 120.610 120.500 0.045 0.000 2.075 31 R HA -0.100 4.241 4.340 0.001 0.000 0.232 31 R C 1.855 178.259 176.300 0.174 0.000 1.126 31 R CA 1.769 57.927 56.100 0.095 0.000 0.963 31 R CB -0.281 30.092 30.300 0.121 0.000 0.858 31 R HN 0.454 nan 8.270 nan 0.000 0.435 32 H N -0.830 118.263 119.070 0.037 0.000 2.423 32 H HA -0.094 4.462 4.556 0.001 0.000 0.297 32 H C 1.587 176.972 175.328 0.095 0.000 1.075 32 H CA 0.837 56.967 56.048 0.135 0.000 1.342 32 H CB 0.198 30.111 29.762 0.252 0.000 1.395 32 H HN 0.121 nan 8.280 nan 0.000 0.530 33 L N 1.531 122.828 121.223 0.123 0.000 2.046 33 L HA -0.147 4.193 4.340 0.001 0.000 0.208 33 L C 2.082 178.937 176.870 -0.025 0.000 1.077 33 L CA 1.524 56.346 54.840 -0.030 0.000 0.747 33 L CB -0.620 41.349 42.059 -0.151 0.000 0.896 33 L HN 0.269 nan 8.230 nan 0.000 0.432 34 E N -0.713 119.481 120.200 -0.010 0.000 2.038 34 E HA -0.305 4.045 4.350 0.001 0.000 0.195 34 E C 2.154 178.710 176.600 -0.073 0.000 1.000 34 E CA 1.669 58.055 56.400 -0.022 0.000 0.803 34 E CB -0.217 29.471 29.700 -0.019 0.000 0.750 34 E HN 0.380 nan 8.360 nan 0.000 0.448 35 K N 0.017 120.316 120.400 -0.168 0.000 2.097 35 K HA -0.127 4.193 4.320 0.001 0.000 0.205 35 K C 1.335 177.683 176.600 -0.419 0.000 1.050 35 K CA 1.296 57.347 56.287 -0.395 0.000 0.938 35 K CB 0.084 32.165 32.500 -0.698 0.000 0.718 35 K HN 0.189 nan 8.250 nan 0.000 0.442 36 Y N -0.428 119.882 120.300 0.016 0.000 2.430 36 Y HA 0.262 4.813 4.550 0.001 0.000 0.248 36 Y C 0.848 176.763 175.900 0.025 0.000 1.108 36 Y CA -0.133 57.980 58.100 0.021 0.000 1.264 36 Y CB 1.264 39.740 38.460 0.026 0.000 1.172 36 Y HN 0.264 nan 8.280 nan 0.000 0.520 37 G N 0.651 109.523 108.800 0.121 0.000 2.829 37 G HA2 -0.225 3.735 3.960 0.001 0.000 0.628 37 G HA3 -0.225 3.735 3.960 0.001 0.000 0.628 37 G C -0.686 174.259 174.900 0.075 0.000 1.412 37 G CA -0.739 44.427 45.100 0.110 0.000 0.864 37 G HN 0.383 nan 8.290 nan 0.000 0.544 38 H N 0.025 119.140 119.070 0.076 0.000 2.757 38 H HA 0.157 4.713 4.556 0.001 0.000 0.370 38 H C 0.973 176.338 175.328 0.062 0.000 1.172 38 H CA 0.600 56.686 56.048 0.064 0.000 1.426 38 H CB 0.712 30.500 29.762 0.044 0.000 1.438 38 H HN 0.481 nan 8.280 nan 0.000 0.612 39 N N 2.193 120.985 118.700 0.153 0.000 2.968 39 N HA -0.018 4.722 4.740 0.001 0.000 0.271 39 N C -0.857 174.713 175.510 0.100 0.000 1.174 39 N CA -0.166 52.944 53.050 0.100 0.000 1.096 39 N CB -0.150 38.374 38.487 0.063 0.000 1.403 39 N HN 0.640 nan 8.380 nan 0.000 0.522 40 E N 1.549 121.808 120.200 0.098 0.000 2.407 40 E HA 0.241 4.591 4.350 0.001 0.000 0.279 40 E C -1.437 175.201 176.600 0.064 0.000 1.012 40 E CA -0.832 55.613 56.400 0.075 0.000 0.800 40 E CB 0.630 30.370 29.700 0.068 0.000 1.276 40 E HN 0.089 nan 8.360 nan 0.000 0.452 41 L N 1.501 122.754 121.223 0.051 0.000 2.312 41 L HA 0.455 4.796 4.340 0.001 0.000 0.281 41 L C -2.137 174.753 176.870 0.034 0.000 1.070 41 L CA -2.141 52.724 54.840 0.043 0.000 0.805 41 L CB 0.776 42.859 42.059 0.041 0.000 1.174 41 L HN 0.412 nan 8.230 nan 0.000 0.434 42 P HA 0.112 nan 4.420 nan 0.000 0.268 42 P C -0.576 176.734 177.300 0.017 0.000 1.204 42 P CA -0.312 62.801 63.100 0.022 0.000 0.768 42 P CB 0.722 32.434 31.700 0.020 0.000 0.842 43 A N 2.508 125.335 122.820 0.013 0.000 2.407 43 A HA 0.237 4.558 4.320 0.001 0.000 0.248 43 A C 0.240 177.830 177.584 0.009 0.000 1.082 43 A CA -0.078 51.965 52.037 0.011 0.000 0.785 43 A CB -0.258 18.747 19.000 0.008 0.000 1.020 43 A HN 0.585 nan 8.150 nan 0.000 0.489 44 E N 1.403 121.608 120.200 0.009 0.000 2.129 44 E HA 0.385 4.736 4.350 0.001 0.000 0.268 44 E C 0.173 176.778 176.600 0.007 0.000 0.900 44 E CA -0.637 55.767 56.400 0.007 0.000 0.755 44 E CB 0.692 30.396 29.700 0.006 0.000 1.117 44 E HN 0.698 nan 8.360 nan 0.000 0.410 45 E N 3.260 123.464 120.200 0.007 0.000 4.428 45 E HA 0.343 4.694 4.350 0.001 0.000 0.575 45 E C 0.652 177.259 176.600 0.011 0.000 0.701 45 E CA 0.249 56.655 56.400 0.009 0.000 3.828 45 E CB -0.171 29.534 29.700 0.008 0.000 2.242 45 E HN 0.540 nan 8.360 nan 0.000 0.355 46 G N -1.228 107.581 108.800 0.014 0.000 4.445 46 G HA2 0.147 4.107 3.960 0.001 0.000 0.228 46 G HA3 0.147 4.107 3.960 0.001 0.000 0.228 46 G C -1.162 173.754 174.900 0.027 0.000 2.381 46 G CA -0.314 44.796 45.100 0.017 0.000 0.984 46 G HN 0.375 nan 8.290 nan 0.000 0.427 47 K N 0.031 120.448 120.400 0.029 0.000 7.487 47 K HA -0.134 4.187 4.320 0.001 0.000 0.616 47 K C 0.764 177.404 176.600 0.067 0.000 2.591 47 K CA 0.778 57.092 56.287 0.044 0.000 1.991 47 K CB -0.804 31.725 32.500 0.048 0.000 2.106 47 K HN 1.138 nan 8.250 nan 0.000 0.261 48 S N 1.862 117.619 115.700 0.095 0.000 2.593 48 S HA 0.266 4.736 4.470 0.001 0.000 0.269 48 S C 1.545 176.246 174.600 0.167 0.000 1.334 48 S CA -0.244 58.041 58.200 0.142 0.000 1.015 48 S CB 0.664 63.989 63.200 0.208 0.000 0.912 48 S HN 0.602 nan 8.310 nan 0.000 0.541 49 L N -1.343 119.968 121.223 0.146 0.000 2.263 49 L HA -0.016 4.325 4.340 0.001 0.000 0.216 49 L C 1.988 178.958 176.870 0.168 0.000 1.111 49 L CA 1.026 55.938 54.840 0.121 0.000 0.773 49 L CB -1.531 40.572 42.059 0.073 0.000 0.906 49 L HN 0.726 nan 8.230 nan 0.000 0.439 50 W N 1.772 123.091 121.300 0.031 0.000 2.304 50 W HA -0.204 4.456 4.660 0.001 0.000 0.328 50 W C 2.471 179.012 176.519 0.036 0.000 1.242 50 W CA 2.125 59.487 57.345 0.029 0.000 1.243 50 W CB -0.509 28.961 29.460 0.017 0.000 1.170 50 W HN 0.343 nan 8.180 nan 0.000 0.460 51 E N 0.181 120.575 120.200 0.322 0.000 2.515 51 E HA -0.144 4.207 4.350 0.001 0.000 0.201 51 E C 2.120 178.807 176.600 0.145 0.000 1.071 51 E CA 0.417 56.925 56.400 0.179 0.000 0.880 51 E CB -0.204 29.549 29.700 0.087 0.000 0.828 51 E HN 0.337 nan 8.360 nan 0.000 0.540 52 L N -0.731 120.582 121.223 0.151 0.000 2.121 52 L HA -0.093 4.247 4.340 0.001 0.000 0.200 52 L C 2.334 179.278 176.870 0.124 0.000 1.077 52 L CA 0.404 55.311 54.840 0.111 0.000 0.766 52 L CB -0.344 41.770 42.059 0.091 0.000 0.931 52 L HN 0.012 nan 8.230 nan 0.000 0.452 53 V N 0.316 120.319 119.914 0.149 0.000 2.287 53 V HA -0.318 3.802 4.120 0.001 0.000 0.248 53 V C 2.421 178.698 176.094 0.304 0.000 1.053 53 V CA 1.700 64.119 62.300 0.198 0.000 1.027 53 V CB -0.519 31.418 31.823 0.191 0.000 0.646 53 V HN 0.247 nan 8.190 nan 0.000 0.447 54 I N 0.345 121.074 120.570 0.266 0.000 2.185 54 I HA -0.288 3.883 4.170 0.001 0.000 0.246 54 I C 2.437 178.689 176.117 0.224 0.000 1.088 54 I CA 1.703 63.157 61.300 0.257 0.000 1.347 54 I CB -0.602 37.525 38.000 0.210 0.000 1.041 54 I HN 0.410 nan 8.210 nan 0.000 0.415 55 E N -0.541 119.751 120.200 0.153 0.000 2.427 55 E HA -0.152 4.199 4.350 0.001 0.000 0.196 55 E C 1.995 178.627 176.600 0.054 0.000 1.028 55 E CA 0.230 56.687 56.400 0.094 0.000 0.864 55 E CB 0.017 29.756 29.700 0.066 0.000 0.813 55 E HN 0.519 nan 8.360 nan 0.000 0.514 56 Q N -0.489 119.331 119.800 0.033 0.000 2.187 56 Q HA -0.043 4.298 4.340 0.001 0.000 0.199 56 Q C 0.773 176.623 176.000 -0.250 0.000 0.957 56 Q CA 0.875 56.591 55.803 -0.144 0.000 0.857 56 Q CB 0.101 28.679 28.738 -0.267 0.000 0.929 56 Q HN 0.321 nan 8.270 nan 0.000 0.453 57 F N 0.546 120.509 119.950 0.022 0.000 2.898 57 F HA 0.175 4.702 4.527 0.001 0.000 0.290 57 F C 1.429 177.237 175.800 0.013 0.000 1.195 57 F CA 0.052 58.060 58.000 0.014 0.000 1.387 57 F CB 0.348 39.354 39.000 0.010 0.000 0.976 57 F HN 0.026 nan 8.300 nan 0.000 0.510 58 E N -0.506 119.761 120.200 0.112 0.000 2.357 58 E HA -0.024 4.326 4.350 0.001 0.000 0.202 58 E C 0.380 177.005 176.600 0.041 0.000 0.855 58 E CA -0.087 56.360 56.400 0.079 0.000 1.048 58 E CB 0.129 29.869 29.700 0.066 0.000 1.037 58 E HN 0.282 nan 8.360 nan 0.000 0.499 59 D N 2.510 122.921 120.400 0.019 0.000 2.493 59 D HA -0.109 4.532 4.640 0.001 0.000 0.240 59 D C 1.232 177.535 176.300 0.006 0.000 1.142 59 D CA -0.034 53.970 54.000 0.007 0.000 0.872 59 D CB 1.584 42.382 40.800 -0.002 0.000 1.173 59 D HN -0.073 nan 8.370 nan 0.000 0.467 60 L N 3.622 124.847 121.223 0.002 0.000 1.987 60 L HA -0.292 4.048 4.340 0.001 0.000 0.230 60 L C 2.369 179.237 176.870 -0.003 0.000 1.089 60 L CA 1.712 56.551 54.840 -0.001 0.000 0.802 60 L CB -0.934 41.117 42.059 -0.014 0.000 0.905 60 L HN 0.647 nan 8.230 nan 0.000 0.441 61 L N -0.816 120.397 121.223 -0.016 0.000 2.030 61 L HA -0.309 4.031 4.340 0.001 0.000 0.222 61 L C 2.579 179.447 176.870 -0.002 0.000 1.082 61 L CA 2.459 57.289 54.840 -0.018 0.000 0.785 61 L CB -0.905 41.141 42.059 -0.022 0.000 0.895 61 L HN 0.258 nan 8.230 nan 0.000 0.439 62 V N 0.170 120.081 119.914 -0.005 0.000 2.453 62 V HA -0.314 3.807 4.120 0.001 0.000 0.252 62 V C 2.720 178.842 176.094 0.047 0.000 1.068 62 V CA 2.038 64.335 62.300 -0.005 0.000 1.070 62 V CB -0.635 31.146 31.823 -0.069 0.000 0.664 62 V HN 0.509 nan 8.190 nan 0.000 0.461 63 R N -0.252 120.278 120.500 0.051 0.000 2.075 63 R HA -0.085 4.255 4.340 0.001 0.000 0.232 63 R C 2.224 178.549 176.300 0.042 0.000 1.126 63 R CA 1.397 57.534 56.100 0.062 0.000 0.963 63 R CB -0.407 29.919 30.300 0.043 0.000 0.858 63 R HN 0.367 nan 8.270 nan 0.000 0.435 64 I N 0.785 121.369 120.570 0.025 0.000 2.185 64 I HA -0.259 3.912 4.170 0.001 0.000 0.246 64 I C 2.001 178.135 176.117 0.029 0.000 1.088 64 I CA 1.355 62.666 61.300 0.018 0.000 1.347 64 I CB -0.683 37.321 38.000 0.005 0.000 1.041 64 I HN 0.186 nan 8.210 nan 0.000 0.415 65 L N -0.157 121.089 121.223 0.039 0.000 2.591 65 L HA 0.047 4.387 4.340 0.001 0.000 0.228 65 L C 1.772 178.684 176.870 0.071 0.000 1.133 65 L CA 0.818 55.688 54.840 0.051 0.000 0.880 65 L CB -0.182 41.906 42.059 0.048 0.000 1.033 65 L HN 0.094 nan 8.230 nan 0.000 0.450 66 L N -1.995 119.273 121.223 0.075 0.000 2.221 66 L HA 0.072 4.412 4.340 0.001 0.000 0.202 66 L C 2.066 178.960 176.870 0.040 0.000 1.074 66 L CA 1.024 55.910 54.840 0.076 0.000 0.795 66 L CB -0.303 41.816 42.059 0.100 0.000 0.960 66 L HN 0.218 nan 8.230 nan 0.000 0.458 67 L N 0.809 122.048 121.223 0.027 0.000 1.963 67 L HA -0.188 4.152 4.340 0.001 0.000 0.220 67 L C 2.175 179.051 176.870 0.009 0.000 1.076 67 L CA 2.265 57.107 54.840 0.003 0.000 0.772 67 L CB -0.806 41.251 42.059 -0.003 0.000 0.892 67 L HN 0.273 nan 8.230 nan 0.000 0.435 68 A N -1.598 121.236 122.820 0.024 0.000 2.247 68 A HA 0.337 4.657 4.320 0.001 0.000 0.205 68 A C 1.788 179.411 177.584 0.064 0.000 1.261 68 A CA 1.050 53.108 52.037 0.036 0.000 0.853 68 A CB -0.924 18.098 19.000 0.036 0.000 0.793 68 A HN 0.613 nan 8.150 nan 0.000 0.487 69 A N -2.231 120.633 122.820 0.073 0.000 2.026 69 A HA 0.171 4.492 4.320 0.001 0.000 0.198 69 A C 1.913 179.589 177.584 0.154 0.000 1.390 69 A CA 0.966 53.071 52.037 0.113 0.000 0.915 69 A CB -0.532 18.523 19.000 0.092 0.000 0.974 69 A HN 0.492 nan 8.150 nan 0.000 0.477 70 C N -0.355 118.998 119.300 0.088 0.000 2.500 70 C HA 0.125 4.585 4.460 0.001 0.000 0.279 70 C C 2.456 177.526 174.990 0.134 0.000 1.288 70 C CA 0.718 59.789 59.018 0.089 0.000 1.710 70 C CB -1.060 26.675 27.740 -0.009 0.000 2.052 70 C HN 0.605 nan 8.230 nan 0.000 0.488 71 I N 0.775 121.374 120.570 0.048 0.000 2.163 71 I HA -0.226 3.944 4.170 0.001 0.000 0.243 71 I C 2.743 178.913 176.117 0.088 0.000 1.085 71 I CA 1.861 63.166 61.300 0.008 0.000 1.347 71 I CB -0.471 37.474 38.000 -0.092 0.000 1.044 71 I HN 0.344 nan 8.210 nan 0.000 0.408 72 S N 0.364 116.125 115.700 0.103 0.000 2.399 72 S HA -0.237 4.233 4.470 0.001 0.000 0.231 72 S C 2.015 176.679 174.600 0.106 0.000 1.022 72 S CA 1.266 59.523 58.200 0.095 0.000 0.983 72 S CB -0.435 62.823 63.200 0.096 0.000 0.803 72 S HN 0.426 nan 8.310 nan 0.000 0.480 73 F N 1.671 121.659 119.950 0.064 0.000 2.113 73 F HA -0.032 4.496 4.527 0.001 0.000 0.297 73 F C 2.117 177.974 175.800 0.094 0.000 1.103 73 F CA 1.576 59.646 58.000 0.117 0.000 1.248 73 F CB -0.469 38.650 39.000 0.198 0.000 0.999 73 F HN 0.061 nan 8.300 nan 0.000 0.475 74 V N 0.188 120.298 119.914 0.327 0.000 2.270 74 V HA -0.246 3.875 4.120 0.001 0.000 0.245 74 V C 1.780 178.003 176.094 0.216 0.000 1.043 74 V CA 1.248 63.714 62.300 0.278 0.000 1.014 74 V CB -0.725 31.259 31.823 0.268 0.000 0.645 74 V HN 0.159 nan 8.190 nan 0.000 0.447 75 L N 0.394 121.712 121.223 0.158 0.000 2.798 75 L HA 0.196 4.536 4.340 0.001 0.000 0.254 75 L C 1.240 178.099 176.870 -0.018 0.000 1.176 75 L CA 1.306 56.225 54.840 0.132 0.000 0.991 75 L CB -0.992 41.158 42.059 0.153 0.000 1.225 75 L HN 0.332 nan 8.230 nan 0.000 0.420 76 A N -2.822 119.891 122.820 -0.178 0.000 2.591 76 A HA 0.051 4.372 4.320 0.001 0.000 0.204 76 A C 1.558 178.668 177.584 -0.790 0.000 1.410 76 A CA -0.381 51.352 52.037 -0.507 0.000 1.065 76 A CB -0.407 18.159 19.000 -0.723 0.000 1.362 76 A HN 0.404 nan 8.150 nan 0.000 0.566 77 W N 0.326 121.239 121.300 -0.644 0.000 2.587 77 W HA 0.140 4.800 4.660 0.001 0.000 0.307 77 W C 0.090 176.457 176.519 -0.254 0.000 1.138 77 W CA 0.927 58.032 57.345 -0.399 0.000 1.450 77 W CB -0.440 28.805 29.460 -0.357 0.000 1.149 77 W HN 0.206 nan 8.180 nan 0.000 0.512 78 F N 2.777 122.997 119.950 0.450 0.000 2.763 78 F HA 0.007 4.535 4.527 0.001 0.000 0.309 78 F C 0.447 176.322 175.800 0.125 0.000 1.267 78 F CA 0.278 58.461 58.000 0.305 0.000 1.417 78 F CB -0.967 38.177 39.000 0.241 0.000 1.223 78 F HN -0.190 nan 8.300 nan 0.000 0.539 79 E N 1.272 121.554 120.200 0.136 0.000 2.338 79 E HA 0.074 4.424 4.350 0.001 0.000 0.272 79 E C 0.196 176.833 176.600 0.061 0.000 1.029 79 E CA -0.357 56.075 56.400 0.054 0.000 0.872 79 E CB 0.578 30.242 29.700 -0.060 0.000 1.015 79 E HN 0.243 nan 8.360 nan 0.000 0.417 80 E N 2.056 122.293 120.200 0.062 0.000 2.478 80 E HA 0.047 4.398 4.350 0.001 0.000 0.262 80 E C 1.033 177.648 176.600 0.024 0.000 1.243 80 E CA 1.094 57.526 56.400 0.054 0.000 1.039 80 E CB 0.329 30.055 29.700 0.043 0.000 0.983 80 E HN 0.654 nan 8.360 nan 0.000 0.479 81 G N 1.058 109.871 108.800 0.022 0.000 2.653 81 G HA2 -0.195 3.766 3.960 0.001 0.000 0.212 81 G HA3 -0.195 3.766 3.960 0.001 0.000 0.212 81 G C 0.491 175.387 174.900 -0.007 0.000 1.138 81 G CA 0.814 45.916 45.100 0.004 0.000 0.782 81 G HN 0.513 nan 8.290 nan 0.000 0.535 82 E N 0.309 120.506 120.200 -0.005 0.000 2.993 82 E HA 0.028 4.378 4.350 0.001 0.000 0.408 82 E C 0.142 176.726 176.600 -0.026 0.000 0.684 82 E CA 0.440 56.832 56.400 -0.013 0.000 2.506 82 E CB 0.031 29.726 29.700 -0.008 0.000 1.463 82 E HN 0.143 nan 8.360 nan 0.000 0.530 83 E N 0.853 121.032 120.200 -0.034 0.000 2.127 83 E HA 0.065 4.415 4.350 0.001 0.000 0.262 83 E C -0.387 176.178 176.600 -0.059 0.000 1.144 83 E CA -0.050 56.322 56.400 -0.048 0.000 1.144 83 E CB 0.361 30.029 29.700 -0.053 0.000 1.297 83 E HN 0.323 nan 8.360 nan 0.000 0.469 84 T N -1.545 112.976 114.554 -0.056 0.000 3.252 84 T HA 0.057 4.407 4.350 0.001 0.000 0.250 84 T C 1.608 176.280 174.700 -0.046 0.000 1.123 84 T CA -0.118 61.948 62.100 -0.056 0.000 1.006 84 T CB -0.167 68.663 68.868 -0.064 0.000 0.992 84 T HN 0.425 nan 8.240 nan 0.000 0.547 85 I N 2.131 122.664 120.570 -0.060 0.000 2.193 85 I HA -0.103 4.068 4.170 0.001 0.000 0.240 85 I C 1.723 177.796 176.117 -0.073 0.000 1.084 85 I CA 1.560 62.818 61.300 -0.069 0.000 1.365 85 I CB 0.138 38.099 38.000 -0.065 0.000 1.064 85 I HN 0.422 nan 8.210 nan 0.000 0.410 86 T N -2.533 111.973 114.554 -0.080 0.000 3.288 86 T HA 0.490 4.840 4.350 0.001 0.000 0.293 86 T C 1.096 175.723 174.700 -0.121 0.000 1.008 86 T CA 0.108 62.147 62.100 -0.101 0.000 0.929 86 T CB 0.535 69.334 68.868 -0.116 0.000 1.152 86 T HN 0.255 nan 8.240 nan 0.000 0.517 87 A N 0.547 123.291 122.820 -0.126 0.000 2.066 87 A HA 0.330 4.651 4.320 0.001 0.000 0.218 87 A C 1.322 178.705 177.584 -0.335 0.000 1.157 87 A CA 0.534 52.438 52.037 -0.222 0.000 0.670 87 A CB -0.824 18.015 19.000 -0.268 0.000 0.804 87 A HN 0.557 nan 8.150 nan 0.000 0.453 88 F N -1.109 118.677 119.950 -0.274 0.000 2.765 88 F HA 0.070 4.598 4.527 0.001 0.000 0.302 88 F C 1.817 177.414 175.800 -0.339 0.000 1.111 88 F CA 0.255 58.029 58.000 -0.376 0.000 1.359 88 F CB 0.413 39.045 39.000 -0.613 0.000 1.097 88 F HN 0.017 nan 8.300 nan 0.000 0.577 89 V N -0.366 119.489 119.914 -0.098 0.000 2.667 89 V HA -0.222 3.899 4.120 0.001 0.000 0.252 89 V C 2.235 178.344 176.094 0.025 0.000 1.065 89 V CA 1.757 64.023 62.300 -0.056 0.000 1.083 89 V CB -0.356 31.387 31.823 -0.132 0.000 0.692 89 V HN 0.363 nan 8.190 nan 0.000 0.468 90 E N 0.934 121.129 120.200 -0.009 0.000 2.016 90 E HA -0.139 4.211 4.350 0.001 0.000 0.190 90 E C -0.725 175.966 176.600 0.152 0.000 0.985 90 E CA 1.193 57.613 56.400 0.033 0.000 0.802 90 E CB -0.599 29.087 29.700 -0.024 0.000 0.762 90 E HN 0.445 nan 8.360 nan 0.000 0.448 91 P HA -0.033 nan 4.420 nan 0.000 0.244 91 P C -0.094 177.564 177.300 0.596 0.000 1.211 91 P CA 0.838 64.173 63.100 0.391 0.000 0.760 91 P CB 0.013 31.991 31.700 0.463 0.000 0.961 92 F N -2.356 117.688 119.950 0.157 0.000 2.577 92 F HA 0.068 4.595 4.527 0.001 0.000 0.276 92 F C 2.178 178.040 175.800 0.103 0.000 1.032 92 F CA 0.243 58.331 58.000 0.147 0.000 1.297 92 F CB -0.879 38.205 39.000 0.140 0.000 1.061 92 F HN -0.367 nan 8.300 nan 0.000 0.680 93 V N 0.991 121.066 119.914 0.268 0.000 2.407 93 V HA -0.290 3.830 4.120 0.001 0.000 0.248 93 V C 2.249 178.426 176.094 0.138 0.000 1.055 93 V CA 1.857 64.261 62.300 0.175 0.000 1.049 93 V CB -0.546 31.362 31.823 0.141 0.000 0.662 93 V HN 0.232 nan 8.190 nan 0.000 0.455 94 I N -0.697 119.957 120.570 0.140 0.000 2.133 94 I HA -0.205 3.965 4.170 0.001 0.000 0.238 94 I C 2.329 178.505 176.117 0.098 0.000 1.074 94 I CA 1.237 62.605 61.300 0.112 0.000 1.342 94 I CB -0.497 37.572 38.000 0.114 0.000 1.053 94 I HN 0.293 nan 8.210 nan 0.000 0.404 95 L N 0.552 121.829 121.223 0.089 0.000 2.349 95 L HA -0.178 4.163 4.340 0.001 0.000 0.220 95 L C 1.976 178.848 176.870 0.004 0.000 1.130 95 L CA 1.620 56.471 54.840 0.017 0.000 0.791 95 L CB -0.662 41.340 42.059 -0.095 0.000 0.918 95 L HN 0.185 nan 8.230 nan 0.000 0.444 96 L N -1.599 119.646 121.223 0.037 0.000 2.145 96 L HA 0.003 4.343 4.340 0.001 0.000 0.201 96 L C 2.239 179.141 176.870 0.054 0.000 1.075 96 L CA 1.007 55.871 54.840 0.039 0.000 0.773 96 L CB -0.398 41.703 42.059 0.072 0.000 0.936 96 L HN 0.078 nan 8.230 nan 0.000 0.451 97 I N -0.353 120.254 120.570 0.063 0.000 2.163 97 I HA -0.291 3.879 4.170 0.001 0.000 0.243 97 I C 2.425 178.569 176.117 0.046 0.000 1.085 97 I CA 1.430 62.758 61.300 0.047 0.000 1.347 97 I CB -1.262 36.766 38.000 0.048 0.000 1.044 97 I HN 0.212 nan 8.210 nan 0.000 0.408 98 L N -0.051 121.223 121.223 0.085 0.000 2.131 98 L HA -0.155 4.185 4.340 0.001 0.000 0.210 98 L C 2.464 179.441 176.870 0.178 0.000 1.092 98 L CA 1.457 56.369 54.840 0.120 0.000 0.759 98 L CB -0.625 41.606 42.059 0.286 0.000 0.903 98 L HN 0.150 nan 8.230 nan 0.000 0.435 99 I N -0.888 119.795 120.570 0.189 0.000 2.133 99 I HA -0.322 3.848 4.170 0.001 0.000 0.238 99 I C 2.612 178.776 176.117 0.078 0.000 1.074 99 I CA 1.275 62.679 61.300 0.172 0.000 1.342 99 I CB -0.432 37.615 38.000 0.078 0.000 1.053 99 I HN 0.239 nan 8.210 nan 0.000 0.404 100 A N 0.791 123.632 122.820 0.035 0.000 1.908 100 A HA -0.232 4.089 4.320 0.001 0.000 0.218 100 A C 1.972 179.547 177.584 -0.015 0.000 1.181 100 A CA 2.015 54.051 52.037 -0.001 0.000 0.627 100 A CB -0.710 18.284 19.000 -0.011 0.000 0.818 100 A HN 0.440 nan 8.150 nan 0.000 0.445 101 N N 0.112 118.796 118.700 -0.027 0.000 2.381 101 N HA -0.012 4.728 4.740 0.001 0.000 0.182 101 N C 1.705 177.167 175.510 -0.080 0.000 1.025 101 N CA 1.263 54.281 53.050 -0.053 0.000 0.888 101 N CB -0.400 38.045 38.487 -0.070 0.000 0.965 101 N HN 0.516 nan 8.380 nan 0.000 0.438 102 A N 1.625 124.384 122.820 -0.101 0.000 1.843 102 A HA 0.001 4.321 4.320 0.001 0.000 0.213 102 A C 2.200 179.787 177.584 0.006 0.000 1.202 102 A CA 0.787 52.761 52.037 -0.106 0.000 0.607 102 A CB -0.726 18.211 19.000 -0.105 0.000 0.847 102 A HN 0.339 nan 8.150 nan 0.000 0.445 103 I N -1.607 118.983 120.570 0.033 0.000 2.236 103 I HA -0.217 3.954 4.170 0.001 0.000 0.249 103 I C 1.913 178.079 176.117 0.081 0.000 1.102 103 I CA 2.059 63.388 61.300 0.048 0.000 1.365 103 I CB -0.737 37.269 38.000 0.010 0.000 1.051 103 I HN 0.075 nan 8.210 nan 0.000 0.420 104 V N 2.157 122.103 119.914 0.054 0.000 2.453 104 V HA -0.066 4.054 4.120 0.001 0.000 0.247 104 V C 2.927 179.117 176.094 0.161 0.000 1.048 104 V CA 1.915 64.284 62.300 0.116 0.000 1.049 104 V CB -1.279 30.574 31.823 0.050 0.000 0.672 104 V HN 0.646 nan 8.190 nan 0.000 0.457 105 G N -0.170 108.674 108.800 0.074 0.000 2.469 105 G HA2 -0.216 3.744 3.960 0.001 0.000 0.220 105 G HA3 -0.216 3.744 3.960 0.001 0.000 0.220 105 G C 1.626 176.569 174.900 0.071 0.000 1.136 105 G CA 1.411 46.541 45.100 0.050 0.000 0.759 105 G HN 0.401 nan 8.290 nan 0.000 0.562 106 V N -0.965 119.005 119.914 0.094 0.000 2.535 106 V HA 0.003 4.124 4.120 0.001 0.000 0.246 106 V C 2.063 178.234 176.094 0.130 0.000 1.045 106 V CA 1.058 63.415 62.300 0.095 0.000 1.058 106 V CB -0.375 31.504 31.823 0.095 0.000 0.689 106 V HN 0.638 nan 8.190 nan 0.000 0.461 107 W N 1.480 122.779 121.300 -0.003 0.000 2.848 107 W HA -0.143 4.517 4.660 0.001 0.000 0.241 107 W C 2.063 178.582 176.519 -0.001 0.000 1.289 107 W CA 1.513 58.857 57.345 -0.002 0.000 1.396 107 W CB 0.174 29.631 29.460 -0.006 0.000 1.138 107 W HN 0.524 nan 8.180 nan 0.000 0.677 108 Q N -1.363 118.415 119.800 -0.037 0.000 2.342 108 Q HA -0.002 4.339 4.340 0.001 0.000 0.261 108 Q C 1.763 177.693 176.000 -0.116 0.000 0.841 108 Q CA 0.435 56.137 55.803 -0.168 0.000 0.969 108 Q CB -0.598 28.133 28.738 -0.013 0.000 1.136 108 Q HN 0.318 nan 8.270 nan 0.000 0.528 109 E N 1.812 121.983 120.200 -0.049 0.000 2.400 109 E HA 0.022 4.373 4.350 0.001 0.000 0.195 109 E C 0.162 176.738 176.600 -0.041 0.000 1.012 109 E CA -0.167 56.213 56.400 -0.034 0.000 0.875 109 E CB 0.396 30.094 29.700 -0.004 0.000 0.859 109 E HN 0.209 nan 8.360 nan 0.000 0.498 110 R N 1.877 122.346 120.500 -0.051 0.000 2.267 110 R HA 0.090 4.430 4.340 0.001 0.000 0.319 110 R C -0.618 175.639 176.300 -0.072 0.000 1.067 110 R CA -0.297 55.778 56.100 -0.042 0.000 0.936 110 R CB 0.295 30.584 30.300 -0.018 0.000 1.006 110 R HN -0.121 nan 8.270 nan 0.000 0.452 111 N N 3.581 122.251 118.700 -0.049 0.000 2.469 111 N HA 0.129 4.869 4.740 0.001 0.000 0.239 111 N C 0.515 176.003 175.510 -0.037 0.000 1.053 111 N CA 0.048 53.067 53.050 -0.052 0.000 0.937 111 N CB 1.522 39.986 38.487 -0.039 0.000 1.163 111 N HN 0.675 nan 8.380 nan 0.000 0.509 112 A N 4.159 126.951 122.820 -0.046 0.000 1.849 112 A HA -0.157 4.163 4.320 0.001 0.000 0.217 112 A C 0.605 178.181 177.584 -0.014 0.000 1.202 112 A CA 1.252 53.273 52.037 -0.026 0.000 0.629 112 A CB -0.844 18.138 19.000 -0.031 0.000 0.834 112 A HN 0.796 nan 8.150 nan 0.000 0.447 113 E N 0.505 120.695 120.200 -0.017 0.000 2.343 113 E HA 0.300 4.650 4.350 0.001 0.000 0.269 113 E C -0.605 175.992 176.600 -0.006 0.000 1.047 113 E CA -0.772 55.623 56.400 -0.009 0.000 0.874 113 E CB 0.601 30.295 29.700 -0.009 0.000 1.033 113 E HN 0.403 nan 8.360 nan 0.000 0.409 114 N N 1.038 119.738 118.700 0.001 0.000 2.400 114 N HA 0.191 4.932 4.740 0.001 0.000 0.288 114 N C -0.333 175.183 175.510 0.010 0.000 1.024 114 N CA -0.177 52.875 53.050 0.004 0.000 0.894 114 N CB 1.811 40.302 38.487 0.007 0.000 1.173 114 N HN 0.602 nan 8.380 nan 0.000 0.487 115 A N 4.586 127.412 122.820 0.010 0.000 2.072 115 A HA 0.109 4.429 4.320 0.001 0.000 0.216 115 A C 1.966 179.566 177.584 0.028 0.000 1.156 115 A CA 0.402 52.450 52.037 0.018 0.000 0.701 115 A CB -0.161 18.846 19.000 0.011 0.000 0.816 115 A HN 0.786 nan 8.150 nan 0.000 0.458 116 I N -0.537 120.046 120.570 0.022 0.000 2.439 116 I HA -0.179 3.991 4.170 0.001 0.000 0.251 116 I C 2.333 178.471 176.117 0.035 0.000 1.139 116 I CA 1.124 62.441 61.300 0.027 0.000 1.438 116 I CB -0.482 37.529 38.000 0.019 0.000 1.085 116 I HN 0.443 nan 8.210 nan 0.000 0.427 117 E N 1.263 121.479 120.200 0.027 0.000 2.047 117 E HA -0.188 4.163 4.350 0.001 0.000 0.191 117 E C 2.382 179.001 176.600 0.031 0.000 0.987 117 E CA 1.285 57.700 56.400 0.024 0.000 0.799 117 E CB -0.068 29.640 29.700 0.014 0.000 0.752 117 E HN 0.458 nan 8.360 nan 0.000 0.449 118 A N 1.157 124.000 122.820 0.037 0.000 1.940 118 A HA -0.197 4.123 4.320 0.001 0.000 0.219 118 A C 2.136 179.788 177.584 0.113 0.000 1.176 118 A CA 1.106 53.174 52.037 0.051 0.000 0.631 118 A CB -0.517 18.517 19.000 0.057 0.000 0.814 118 A HN 0.230 nan 8.150 nan 0.000 0.446 119 L N -0.112 121.191 121.223 0.135 0.000 2.093 119 L HA -0.102 4.238 4.340 0.001 0.000 0.208 119 L C 2.100 179.107 176.870 0.228 0.000 1.085 119 L CA 2.014 56.984 54.840 0.217 0.000 0.755 119 L CB -0.390 41.735 42.059 0.110 0.000 0.904 119 L HN 0.318 nan 8.230 nan 0.000 0.435 120 K N -0.606 119.862 120.400 0.113 0.000 2.442 120 K HA -0.199 4.122 4.320 0.001 0.000 0.198 120 K C 1.757 178.382 176.600 0.041 0.000 1.044 120 K CA 0.790 57.125 56.287 0.079 0.000 0.948 120 K CB -0.047 32.478 32.500 0.043 0.000 0.762 120 K HN 0.253 nan 8.250 nan 0.000 0.472 121 E N 0.209 120.405 120.200 -0.007 0.000 2.209 121 E HA -0.161 4.189 4.350 0.001 0.000 0.196 121 E C 0.630 177.088 176.600 -0.237 0.000 0.993 121 E CA 1.233 57.533 56.400 -0.167 0.000 0.819 121 E CB -0.061 29.449 29.700 -0.317 0.000 0.745 121 E HN 0.384 nan 8.360 nan 0.000 0.477 122 Y N 0.129 120.436 120.300 0.012 0.000 2.466 122 Y HA 0.224 4.774 4.550 0.001 0.000 0.272 122 Y C -0.023 175.889 175.900 0.020 0.000 1.169 122 Y CA 0.058 58.168 58.100 0.017 0.000 1.285 122 Y CB 0.342 38.814 38.460 0.019 0.000 1.078 122 Y HN -0.121 nan 8.280 nan 0.000 0.523 123 E N 3.028 123.297 120.200 0.114 0.000 2.046 123 E HA 0.169 4.520 4.350 0.001 0.000 0.279 123 E C -2.361 174.264 176.600 0.041 0.000 0.989 123 E CA -2.311 54.137 56.400 0.079 0.000 0.798 123 E CB 0.608 30.348 29.700 0.067 0.000 1.086 123 E HN 0.040 nan 8.360 nan 0.000 0.399 124 P HA -0.049 nan 4.420 nan 0.000 0.271 124 P C 0.322 177.632 177.300 0.017 0.000 1.218 124 P CA 0.087 63.199 63.100 0.020 0.000 0.780 124 P CB 1.116 32.830 31.700 0.023 0.000 0.901 125 E N 1.214 121.418 120.200 0.007 0.000 2.106 125 E HA -0.078 4.272 4.350 0.001 0.000 0.192 125 E C 0.124 176.730 176.600 0.009 0.000 0.984 125 E CA 0.930 57.335 56.400 0.007 0.000 0.806 125 E CB 0.094 29.794 29.700 0.000 0.000 0.750 125 E HN 0.323 nan 8.360 nan 0.000 0.458 126 M N -0.181 119.422 119.600 0.005 0.000 2.535 126 M HA 0.507 4.988 4.480 0.001 0.000 0.314 126 M C 0.165 176.464 176.300 -0.001 0.000 1.153 126 M CA -0.632 54.667 55.300 -0.000 0.000 0.924 126 M CB 1.587 34.183 32.600 -0.007 0.000 1.710 126 M HN 0.024 nan 8.290 nan 0.000 0.451 127 G N 1.231 110.025 108.800 -0.009 0.000 2.725 127 G HA2 0.751 4.712 3.960 0.001 0.000 0.288 127 G HA3 0.751 4.712 3.960 0.001 0.000 0.288 127 G C -1.528 173.350 174.900 -0.036 0.000 1.399 127 G CA -0.715 44.377 45.100 -0.014 0.000 0.859 127 G HN 0.541 nan 8.290 nan 0.000 0.479 128 K N -0.145 120.226 120.400 -0.048 0.000 2.323 128 K HA 0.629 4.950 4.320 0.001 0.000 0.259 128 K C -0.486 176.043 176.600 -0.119 0.000 0.947 128 K CA -0.709 55.520 56.287 -0.096 0.000 0.819 128 K CB 2.386 34.828 32.500 -0.096 0.000 1.109 128 K HN 0.559 nan 8.250 nan 0.000 0.429 129 V N -0.418 119.387 119.914 -0.181 0.000 3.074 129 V HA 0.565 4.686 4.120 0.001 0.000 0.314 129 V C -1.435 174.463 176.094 -0.327 0.000 1.117 129 V CA -0.987 61.220 62.300 -0.155 0.000 1.014 129 V CB 1.272 33.050 31.823 -0.075 0.000 1.057 129 V HN 0.611 nan 8.190 nan 0.000 0.438 130 Y N 1.311 121.597 120.300 -0.024 0.000 2.342 130 Y HA 0.758 5.308 4.550 0.001 0.000 0.338 130 Y C 0.559 176.441 175.900 -0.029 0.000 0.965 130 Y CA -0.361 57.727 58.100 -0.021 0.000 1.159 130 Y CB 1.624 40.075 38.460 -0.016 0.000 1.157 130 Y HN 0.573 nan 8.280 nan 0.000 0.486 131 R N 0.945 121.489 120.500 0.073 0.000 2.778 131 R HA 0.611 4.951 4.340 0.001 0.000 0.277 131 R C 0.780 177.105 176.300 0.041 0.000 0.977 131 R CA -0.511 55.609 56.100 0.034 0.000 0.950 131 R CB 1.556 31.849 30.300 -0.012 0.000 1.165 131 R HN 0.811 nan 8.270 nan 0.000 0.474 132 A N 1.336 124.169 122.820 0.022 0.000 2.139 132 A HA -0.208 4.113 4.320 0.001 0.000 0.221 132 A C 1.248 178.844 177.584 0.019 0.000 1.159 132 A CA 2.009 54.059 52.037 0.021 0.000 0.662 132 A CB -0.457 18.547 19.000 0.007 0.000 0.796 132 A HN 0.854 nan 8.150 nan 0.000 0.463 133 D N -1.196 119.212 120.400 0.013 0.000 2.349 133 D HA 0.021 4.661 4.640 0.001 0.000 0.215 133 D C 0.639 176.948 176.300 0.015 0.000 1.016 133 D CA 0.230 54.236 54.000 0.009 0.000 0.870 133 D CB -0.008 40.792 40.800 -0.000 0.000 0.917 133 D HN 0.465 nan 8.370 nan 0.000 0.524 134 R N -0.757 119.759 120.500 0.027 0.000 2.698 134 R HA 0.287 4.628 4.340 0.001 0.000 0.275 134 R C 0.139 176.484 176.300 0.074 0.000 1.001 134 R CA -0.827 55.294 56.100 0.035 0.000 0.896 134 R CB 1.611 31.921 30.300 0.016 0.000 1.218 134 R HN -0.264 nan 8.270 nan 0.000 0.462 135 K N 0.840 121.284 120.400 0.073 0.000 2.167 135 K HA 0.022 4.342 4.320 0.001 0.000 0.203 135 K C 0.595 177.307 176.600 0.186 0.000 1.052 135 K CA 0.947 57.298 56.287 0.106 0.000 0.956 135 K CB 0.154 32.693 32.500 0.065 0.000 0.735 135 K HN 0.589 nan 8.250 nan 0.000 0.451 136 S N -0.663 115.109 115.700 0.119 0.000 2.616 136 S HA 0.285 4.756 4.470 0.001 0.000 0.277 136 S C 0.130 174.705 174.600 -0.042 0.000 1.234 136 S CA -1.003 57.260 58.200 0.104 0.000 1.028 136 S CB 1.499 64.724 63.200 0.042 0.000 0.988 136 S HN -0.028 nan 8.310 nan 0.000 0.522 137 V N 1.958 121.738 119.914 -0.222 0.000 2.901 137 V HA 0.166 4.287 4.120 0.001 0.000 0.307 137 V C -0.240 175.661 176.094 -0.321 0.000 1.084 137 V CA 0.503 62.412 62.300 -0.653 0.000 1.184 137 V CB 0.713 32.183 31.823 -0.590 0.000 0.941 137 V HN 0.988 nan 8.190 nan 0.000 0.493 138 Q N 5.115 124.725 119.800 -0.316 0.000 2.330 138 Q HA 0.466 4.806 4.340 0.001 0.000 0.269 138 Q C -0.760 175.157 176.000 -0.138 0.000 1.022 138 Q CA -0.554 55.149 55.803 -0.167 0.000 0.796 138 Q CB 2.200 30.864 28.738 -0.124 0.000 1.271 138 Q HN 0.688 nan 8.270 nan 0.000 0.450 139 R N 3.706 124.151 120.500 -0.092 0.000 2.198 139 R HA 0.453 4.793 4.340 0.001 0.000 0.339 139 R C -0.535 175.738 176.300 -0.046 0.000 1.020 139 R CA -0.040 56.019 56.100 -0.068 0.000 0.864 139 R CB 0.247 30.516 30.300 -0.052 0.000 1.105 139 R HN 0.674 nan 8.270 nan 0.000 0.463 140 I N -0.397 120.149 120.570 -0.040 0.000 3.206 140 I HA 0.531 4.702 4.170 0.001 0.000 0.313 140 I C -0.677 175.435 176.117 -0.008 0.000 1.103 140 I CA -1.462 59.825 61.300 -0.022 0.000 0.985 140 I CB 1.660 39.647 38.000 -0.023 0.000 1.240 140 I HN 0.191 nan 8.210 nan 0.000 0.464 141 K N 2.199 122.603 120.400 0.006 0.000 2.484 141 K HA 0.141 4.461 4.320 0.001 0.000 0.280 141 K C 0.865 177.481 176.600 0.026 0.000 1.013 141 K CA 0.530 56.829 56.287 0.019 0.000 1.029 141 K CB 1.066 33.587 32.500 0.035 0.000 0.902 141 K HN 0.838 nan 8.250 nan 0.000 0.481 142 A N 4.377 127.213 122.820 0.026 0.000 1.972 142 A HA -0.221 4.099 4.320 0.001 0.000 0.219 142 A C 1.974 179.589 177.584 0.051 0.000 1.169 142 A CA 1.660 53.715 52.037 0.030 0.000 0.635 142 A CB -0.332 18.686 19.000 0.029 0.000 0.810 142 A HN 0.824 nan 8.150 nan 0.000 0.446 143 R N -0.698 119.846 120.500 0.075 0.000 2.241 143 R HA -0.090 4.251 4.340 0.001 0.000 0.224 143 R C 0.145 176.552 176.300 0.180 0.000 1.101 143 R CA 1.570 57.748 56.100 0.130 0.000 0.995 143 R CB -0.483 29.897 30.300 0.132 0.000 0.870 143 R HN 0.240 nan 8.270 nan 0.000 0.463 144 D N 0.875 121.347 120.400 0.119 0.000 2.340 144 D HA 0.165 4.806 4.640 0.001 0.000 0.220 144 D C 0.530 176.829 176.300 -0.001 0.000 1.039 144 D CA 0.204 54.241 54.000 0.061 0.000 0.866 144 D CB 0.147 40.980 40.800 0.056 0.000 0.913 144 D HN 0.269 nan 8.370 nan 0.000 0.523 145 I N 1.238 121.812 120.570 0.007 0.000 2.638 145 I HA 0.065 4.235 4.170 0.001 0.000 0.286 145 I C 0.485 176.591 176.117 -0.019 0.000 1.088 145 I CA -0.411 60.880 61.300 -0.015 0.000 1.397 145 I CB 1.134 39.127 38.000 -0.011 0.000 1.414 145 I HN -0.236 nan 8.210 nan 0.000 0.566 146 V N 3.247 123.141 119.914 -0.033 0.000 3.040 146 V HA 0.595 4.715 4.120 0.001 0.000 0.312 146 V C -2.782 173.254 176.094 -0.096 0.000 1.115 146 V CA -2.761 59.534 62.300 -0.009 0.000 0.998 146 V CB 1.445 33.327 31.823 0.098 0.000 1.042 146 V HN 0.437 nan 8.190 nan 0.000 0.433 147 P HA 0.312 nan 4.420 nan 0.000 0.265 147 P C 1.022 177.933 177.300 -0.649 0.000 1.187 147 P CA 2.138 65.009 63.100 -0.381 0.000 0.766 147 P CB 0.727 32.092 31.700 -0.558 0.000 0.820 148 G N 1.855 109.878 108.800 -1.295 0.000 2.258 148 G HA2 -0.201 3.760 3.960 0.001 0.000 0.233 148 G HA3 -0.201 3.760 3.960 0.001 0.000 0.233 148 G C 0.087 174.709 174.900 -0.464 0.000 1.006 148 G CA -0.258 44.013 45.100 -1.382 0.000 0.620 148 G HN 0.517 nan 8.290 nan 0.000 0.511 149 D N 1.512 121.740 120.400 -0.286 0.000 2.455 149 D HA 0.295 4.935 4.640 0.001 0.000 0.241 149 D C 0.978 177.230 176.300 -0.079 0.000 1.138 149 D CA 0.018 53.935 54.000 -0.138 0.000 0.877 149 D CB 0.529 41.273 40.800 -0.095 0.000 1.187 149 D HN 0.128 nan 8.370 nan 0.000 0.451 150 I N 3.653 124.216 120.570 -0.011 0.000 2.436 150 I HA 0.023 4.194 4.170 0.001 0.000 0.289 150 I C 0.573 176.748 176.117 0.097 0.000 1.083 150 I CA -0.283 61.050 61.300 0.055 0.000 1.372 150 I CB 0.092 38.153 38.000 0.101 0.000 1.408 150 I HN 0.026 nan 8.210 nan 0.000 0.516 151 V N 3.561 123.520 119.914 0.075 0.000 2.715 151 V HA 0.664 4.784 4.120 0.001 0.000 0.310 151 V C -0.403 175.753 176.094 0.104 0.000 1.054 151 V CA -0.866 61.473 62.300 0.065 0.000 0.928 151 V CB 2.238 34.069 31.823 0.013 0.000 1.007 151 V HN 0.794 nan 8.190 nan 0.000 0.437 152 E N 2.419 122.678 120.200 0.097 0.000 2.158 152 E HA 0.680 5.030 4.350 0.001 0.000 0.271 152 E C -0.934 175.696 176.600 0.049 0.000 0.911 152 E CA -0.793 55.676 56.400 0.115 0.000 0.767 152 E CB 2.092 31.904 29.700 0.187 0.000 1.120 152 E HN 1.057 nan 8.360 nan 0.000 0.405 153 V N 0.866 120.806 119.914 0.044 0.000 2.864 153 V HA 1.027 5.148 4.120 0.001 0.000 0.314 153 V C -0.515 175.598 176.094 0.032 0.000 1.073 153 V CA -0.470 61.847 62.300 0.028 0.000 0.956 153 V CB 1.257 33.091 31.823 0.019 0.000 1.023 153 V HN 0.798 nan 8.190 nan 0.000 0.435 154 A N 2.204 125.040 122.820 0.027 0.000 2.593 154 A HA 0.799 5.120 4.320 0.001 0.000 0.290 154 A C -0.361 177.238 177.584 0.026 0.000 1.126 154 A CA -0.310 51.744 52.037 0.029 0.000 0.695 154 A CB 1.625 20.643 19.000 0.031 0.000 1.290 154 A HN 2.161 nan 8.150 nan 0.000 0.414 155 V N 1.319 121.250 119.914 0.028 0.000 2.678 155 V HA 0.341 4.462 4.120 0.001 0.000 0.304 155 V C 1.407 177.515 176.094 0.023 0.000 1.086 155 V CA 2.738 65.053 62.300 0.026 0.000 1.246 155 V CB 0.117 31.957 31.823 0.028 0.000 0.861 155 V HN 2.748 nan 8.190 nan 0.000 0.491 156 G N 4.264 113.078 108.800 0.023 0.000 2.217 156 G HA2 -0.201 3.760 3.960 0.001 0.000 0.246 156 G HA3 -0.201 3.760 3.960 0.001 0.000 0.246 156 G C -0.047 174.866 174.900 0.021 0.000 0.990 156 G CA 0.191 45.303 45.100 0.020 0.000 0.627 156 G HN 0.814 nan 8.290 nan 0.000 0.522 157 D N 1.271 121.684 120.400 0.023 0.000 2.382 157 D HA 0.370 5.011 4.640 0.001 0.000 0.245 157 D C 0.661 176.982 176.300 0.035 0.000 1.120 157 D CA 0.269 54.283 54.000 0.024 0.000 0.890 157 D CB 0.773 41.586 40.800 0.021 0.000 1.201 157 D HN 0.272 nan 8.370 nan 0.000 0.433 158 K N 0.913 121.335 120.400 0.037 0.000 2.297 158 K HA 0.227 4.547 4.320 0.001 0.000 0.286 158 K C -0.475 176.156 176.600 0.051 0.000 1.053 158 K CA -0.627 55.695 56.287 0.058 0.000 0.940 158 K CB 1.225 33.762 32.500 0.063 0.000 1.019 158 K HN 0.170 nan 8.250 nan 0.000 0.475 159 V N 6.582 126.531 119.914 0.058 0.000 2.485 159 V HA -0.005 4.116 4.120 0.001 0.000 0.287 159 V C -1.158 174.966 176.094 0.051 0.000 1.022 159 V CA -0.808 61.519 62.300 0.044 0.000 1.067 159 V CB 0.803 32.652 31.823 0.042 0.000 0.967 159 V HN 0.764 nan 8.190 nan 0.000 0.479 160 P HA 0.204 nan 4.420 nan 0.000 0.240 160 P C 0.126 177.447 177.300 0.035 0.000 1.190 160 P CA 0.756 63.877 63.100 0.035 0.000 0.781 160 P CB 0.727 32.439 31.700 0.019 0.000 0.931 161 A N -0.605 122.231 122.820 0.028 0.000 2.566 161 A HA 0.471 4.791 4.320 0.001 0.000 0.290 161 A C -1.713 175.883 177.584 0.019 0.000 1.071 161 A CA -0.652 51.401 52.037 0.025 0.000 0.658 161 A CB 0.156 19.157 19.000 0.002 0.000 1.285 161 A HN -0.220 nan 8.150 nan 0.000 0.427 162 D N 0.820 121.238 120.400 0.030 0.000 2.343 162 D HA 0.529 5.169 4.640 0.001 0.000 0.255 162 D C -0.584 175.683 176.300 -0.054 0.000 1.187 162 D CA 0.979 54.983 54.000 0.005 0.000 0.875 162 D CB 0.465 41.325 40.800 0.100 0.000 1.136 162 D HN 0.407 nan 8.370 nan 0.000 0.469 163 I N 1.827 122.321 120.570 -0.128 0.000 2.533 163 I HA 0.236 4.407 4.170 0.001 0.000 0.290 163 I C -0.014 176.027 176.117 -0.125 0.000 1.056 163 I CA -1.152 60.089 61.300 -0.098 0.000 1.057 163 I CB 1.965 39.916 38.000 -0.081 0.000 1.240 163 I HN -0.007 nan 8.210 nan 0.000 0.423 164 R N 6.822 127.287 120.500 -0.059 0.000 2.267 164 R HA 0.432 4.772 4.340 0.001 0.000 0.319 164 R C -0.858 175.424 176.300 -0.030 0.000 1.067 164 R CA -0.082 55.994 56.100 -0.041 0.000 0.936 164 R CB 0.192 30.494 30.300 0.004 0.000 1.006 164 R HN 0.507 nan 8.270 nan 0.000 0.452 165 I N 6.640 127.186 120.570 -0.039 0.000 2.556 165 I HA -0.052 4.119 4.170 0.001 0.000 0.284 165 I C 0.980 177.102 176.117 0.009 0.000 1.114 165 I CA 0.117 61.406 61.300 -0.019 0.000 1.418 165 I CB 0.698 38.683 38.000 -0.026 0.000 1.394 165 I HN 0.643 nan 8.210 nan 0.000 0.552 166 L N 3.957 125.188 121.223 0.013 0.000 2.388 166 L HA 0.162 4.503 4.340 0.001 0.000 0.209 166 L C 0.697 177.576 176.870 0.016 0.000 1.061 166 L CA 0.580 55.431 54.840 0.018 0.000 0.834 166 L CB 0.352 42.419 42.059 0.014 0.000 1.029 166 L HN 0.682 nan 8.230 nan 0.000 0.473 167 S N -0.115 115.593 115.700 0.013 0.000 2.590 167 S HA 0.405 4.875 4.470 0.001 0.000 0.286 167 S C -1.038 173.571 174.600 0.015 0.000 1.147 167 S CA -0.618 57.588 58.200 0.010 0.000 0.963 167 S CB 0.736 63.933 63.200 -0.006 0.000 1.124 167 S HN 0.084 nan 8.310 nan 0.000 0.458 168 I N 5.489 126.073 120.570 0.023 0.000 2.325 168 I HA 0.391 4.562 4.170 0.001 0.000 0.291 168 I C 0.824 176.956 176.117 0.024 0.000 1.019 168 I CA -0.668 60.649 61.300 0.029 0.000 1.302 168 I CB 1.354 39.380 38.000 0.042 0.000 1.401 168 I HN 0.562 nan 8.210 nan 0.000 0.485 169 K N 3.247 123.663 120.400 0.026 0.000 2.202 169 K HA 0.106 4.426 4.320 0.001 0.000 0.201 169 K C 0.972 177.589 176.600 0.028 0.000 1.051 169 K CA 0.419 56.719 56.287 0.022 0.000 0.977 169 K CB -0.086 32.429 32.500 0.025 0.000 0.792 169 K HN 0.693 nan 8.250 nan 0.000 0.469 170 S N 0.079 115.802 115.700 0.039 0.000 2.626 170 S HA 0.096 4.566 4.470 0.001 0.000 0.257 170 S C 1.324 175.955 174.600 0.052 0.000 1.288 170 S CA -0.196 58.034 58.200 0.050 0.000 0.980 170 S CB 0.505 63.741 63.200 0.060 0.000 0.975 170 S HN 0.093 nan 8.310 nan 0.000 0.577 171 T N 1.221 115.815 114.554 0.068 0.000 2.867 171 T HA 0.088 4.438 4.350 0.001 0.000 0.268 171 T C 0.904 175.668 174.700 0.107 0.000 1.057 171 T CA 1.479 63.622 62.100 0.072 0.000 1.136 171 T CB -0.543 68.381 68.868 0.094 0.000 0.874 171 T HN 0.969 nan 8.240 nan 0.000 0.466 172 T N -0.584 114.044 114.554 0.123 0.000 2.883 172 T HA 0.663 5.013 4.350 0.001 0.000 0.301 172 T C -1.521 173.229 174.700 0.084 0.000 1.158 172 T CA -1.022 61.155 62.100 0.129 0.000 1.007 172 T CB 1.960 70.941 68.868 0.190 0.000 1.186 172 T HN -0.045 nan 8.240 nan 0.000 0.499 173 L N 1.619 122.881 121.223 0.066 0.000 2.319 173 L HA 0.611 4.952 4.340 0.001 0.000 0.281 173 L C -0.459 176.425 176.870 0.024 0.000 1.005 173 L CA -0.570 54.293 54.840 0.039 0.000 0.828 173 L CB 0.928 43.003 42.059 0.027 0.000 1.227 173 L HN 0.678 nan 8.230 nan 0.000 0.415 174 R N 4.717 125.226 120.500 0.016 0.000 2.343 174 R HA 0.702 5.042 4.340 0.001 0.000 0.320 174 R C -1.373 174.931 176.300 0.006 0.000 0.956 174 R CA -0.840 55.258 56.100 -0.002 0.000 0.836 174 R CB 1.953 32.242 30.300 -0.018 0.000 1.151 174 R HN 0.386 nan 8.270 nan 0.000 0.450 175 V N 2.046 121.964 119.914 0.008 0.000 2.495 175 V HA 0.117 4.237 4.120 0.001 0.000 0.298 175 V C -0.333 175.779 176.094 0.030 0.000 1.031 175 V CA -0.885 61.428 62.300 0.022 0.000 0.871 175 V CB 2.009 33.847 31.823 0.025 0.000 0.988 175 V HN 0.628 nan 8.190 nan 0.000 0.432 176 D N 3.794 124.217 120.400 0.039 0.000 2.365 176 D HA 0.193 4.833 4.640 0.001 0.000 0.237 176 D C 0.508 176.841 176.300 0.055 0.000 1.190 176 D CA 0.040 54.066 54.000 0.043 0.000 0.867 176 D CB 1.097 41.926 40.800 0.048 0.000 1.050 176 D HN 0.595 nan 8.370 nan 0.000 0.491 177 Q N 2.067 121.897 119.800 0.051 0.000 2.189 177 Q HA 0.043 4.383 4.340 0.001 0.000 0.221 177 Q C 1.552 177.558 176.000 0.010 0.000 0.848 177 Q CA -0.141 55.694 55.803 0.053 0.000 1.007 177 Q CB 0.384 29.170 28.738 0.081 0.000 1.116 177 Q HN 0.570 nan 8.270 nan 0.000 0.481 178 S N 1.040 116.747 115.700 0.011 0.000 2.423 178 S HA -0.225 4.246 4.470 0.001 0.000 0.238 178 S C 1.966 176.535 174.600 -0.052 0.000 1.028 178 S CA 1.448 59.645 58.200 -0.007 0.000 1.000 178 S CB -0.805 62.404 63.200 0.016 0.000 0.797 178 S HN 0.647 nan 8.310 nan 0.000 0.487 179 I N -1.653 118.860 120.570 -0.095 0.000 2.756 179 I HA 0.098 4.269 4.170 0.001 0.000 0.262 179 I C 1.819 177.839 176.117 -0.162 0.000 1.225 179 I CA 1.183 62.364 61.300 -0.198 0.000 1.472 179 I CB -0.345 37.419 38.000 -0.393 0.000 1.094 179 I HN 0.225 nan 8.210 nan 0.000 0.454 180 L N 0.367 121.514 121.223 -0.126 0.000 2.672 180 L HA 0.190 4.531 4.340 0.001 0.000 0.236 180 L C 2.031 178.841 176.870 -0.100 0.000 1.092 180 L CA 0.879 55.632 54.840 -0.146 0.000 0.887 180 L CB 0.074 41.995 42.059 -0.231 0.000 1.168 180 L HN 0.449 nan 8.230 nan 0.000 0.502 181 T N -5.559 108.958 114.554 -0.063 0.000 2.958 181 T HA 0.288 4.638 4.350 0.001 0.000 0.256 181 T C 1.466 176.156 174.700 -0.016 0.000 0.983 181 T CA 0.692 62.773 62.100 -0.032 0.000 0.924 181 T CB 1.170 70.028 68.868 -0.016 0.000 1.136 181 T HN 0.272 nan 8.240 nan 0.000 0.506 182 G N 1.572 110.360 108.800 -0.020 0.000 2.253 182 G HA2 -0.216 3.745 3.960 0.001 0.000 0.251 182 G HA3 -0.216 3.745 3.960 0.001 0.000 0.251 182 G C -0.104 174.800 174.900 0.007 0.000 0.998 182 G CA 0.134 45.230 45.100 -0.007 0.000 0.621 182 G HN 0.605 nan 8.290 nan 0.000 0.524 183 E N 0.888 121.093 120.200 0.008 0.000 2.259 183 E HA 0.523 4.874 4.350 0.001 0.000 0.281 183 E C 0.692 177.308 176.600 0.026 0.000 1.037 183 E CA 0.014 56.425 56.400 0.018 0.000 0.854 183 E CB 1.435 31.145 29.700 0.017 0.000 1.051 183 E HN 0.113 nan 8.360 nan 0.000 0.409 184 S N 1.288 117.010 115.700 0.036 0.000 2.558 184 S HA -0.001 4.470 4.470 0.001 0.000 0.217 184 S C 0.822 175.445 174.600 0.039 0.000 0.975 184 S CA -0.249 57.977 58.200 0.044 0.000 0.912 184 S CB 0.257 63.494 63.200 0.061 0.000 0.776 184 S HN 0.442 nan 8.310 nan 0.000 0.526 185 V N 2.194 122.128 119.914 0.034 0.000 2.572 185 V HA 0.322 4.442 4.120 0.001 0.000 0.291 185 V C 0.160 176.260 176.094 0.011 0.000 1.039 185 V CA -0.349 61.965 62.300 0.022 0.000 1.055 185 V CB 0.991 32.827 31.823 0.022 0.000 0.969 185 V HN 0.204 nan 8.190 nan 0.000 0.482 186 S N 4.690 120.387 115.700 -0.005 0.000 2.560 186 S HA 0.256 4.726 4.470 0.001 0.000 0.284 186 S C -0.152 174.438 174.600 -0.016 0.000 1.327 186 S CA -0.342 57.850 58.200 -0.012 0.000 1.055 186 S CB 0.966 64.145 63.200 -0.035 0.000 0.868 186 S HN 0.783 nan 8.310 nan 0.000 0.506 187 V N 5.264 125.177 119.914 -0.002 0.000 2.439 187 V HA 0.278 4.398 4.120 0.001 0.000 0.282 187 V C 0.055 176.143 176.094 -0.010 0.000 1.039 187 V CA -0.670 61.630 62.300 0.001 0.000 0.913 187 V CB 1.096 32.931 31.823 0.020 0.000 0.983 187 V HN 0.644 nan 8.190 nan 0.000 0.460 188 I N 5.834 126.399 120.570 -0.008 0.000 2.312 188 I HA 0.360 4.531 4.170 0.001 0.000 0.291 188 I C 0.455 176.576 176.117 0.007 0.000 1.031 188 I CA -0.431 60.876 61.300 0.013 0.000 1.293 188 I CB 0.746 38.776 38.000 0.051 0.000 1.403 188 I HN 0.516 nan 8.210 nan 0.000 0.484 189 K N 5.939 126.330 120.400 -0.013 0.000 2.098 189 K HA 0.497 4.817 4.320 0.001 0.000 0.261 189 K C -0.216 176.369 176.600 -0.025 0.000 0.987 189 K CA -0.557 55.673 56.287 -0.095 0.000 0.916 189 K CB 1.738 34.190 32.500 -0.080 0.000 1.039 189 K HN 0.693 nan 8.250 nan 0.000 0.455 190 H N -3.042 116.051 119.070 0.038 0.000 2.960 190 H HA 0.352 4.909 4.556 0.001 0.000 0.303 190 H C 0.272 175.614 175.328 0.023 0.000 1.412 190 H CA -0.785 55.284 56.048 0.035 0.000 1.227 190 H CB 0.626 30.414 29.762 0.042 0.000 1.912 190 H HN 0.505 nan 8.280 nan 0.000 0.583 191 T N -3.117 111.627 114.554 0.317 0.000 3.085 191 T HA 0.291 4.641 4.350 0.001 0.000 0.264 191 T C -0.114 174.695 174.700 0.183 0.000 1.019 191 T CA -0.400 61.812 62.100 0.187 0.000 0.910 191 T CB -0.448 68.474 68.868 0.089 0.000 1.059 191 T HN 0.546 nan 8.240 nan 0.000 0.542 192 E N 2.450 122.791 120.200 0.235 0.000 2.345 192 E HA 0.395 4.745 4.350 0.001 0.000 0.259 192 E C -2.647 174.032 176.600 0.131 0.000 1.117 192 E CA -2.261 54.180 56.400 0.068 0.000 0.913 192 E CB 0.350 29.974 29.700 -0.127 0.000 1.057 192 E HN 0.204 nan 8.360 nan 0.000 0.432 193 P HA -0.008 nan 4.420 nan 0.000 0.269 193 P C -1.019 176.353 177.300 0.120 0.000 1.209 193 P CA 0.007 63.152 63.100 0.074 0.000 0.776 193 P CB 0.515 32.231 31.700 0.026 0.000 0.876 194 V N 6.209 126.218 119.914 0.159 0.000 2.275 194 V HA 0.150 4.271 4.120 0.001 0.000 0.272 194 V C -1.498 174.699 176.094 0.170 0.000 1.028 194 V CA -1.235 61.188 62.300 0.206 0.000 0.810 194 V CB 1.049 33.047 31.823 0.292 0.000 1.043 194 V HN 0.532 nan 8.190 nan 0.000 0.453 195 P HA -0.103 nan 4.420 nan 0.000 0.218 195 P C 0.574 177.919 177.300 0.074 0.000 1.149 195 P CA 0.790 63.919 63.100 0.049 0.000 0.817 195 P CB 0.134 31.857 31.700 0.039 0.000 0.785 196 D N 0.004 120.484 120.400 0.134 0.000 2.426 196 D HA -0.042 4.598 4.640 0.001 0.000 0.261 196 D C -1.430 175.018 176.300 0.247 0.000 1.245 196 D CA -1.418 52.673 54.000 0.151 0.000 0.917 196 D CB 0.401 41.282 40.800 0.135 0.000 1.123 196 D HN 0.083 nan 8.370 nan 0.000 0.508 197 P HA -0.080 nan 4.420 nan 0.000 0.221 197 P C 0.404 177.832 177.300 0.213 0.000 1.145 197 P CA 0.988 64.189 63.100 0.169 0.000 0.795 197 P CB 0.220 31.965 31.700 0.075 0.000 0.775 198 R N -0.907 119.686 120.500 0.155 0.000 2.507 198 R HA 0.426 4.767 4.340 0.001 0.000 0.298 198 R C 0.516 176.861 176.300 0.074 0.000 0.999 198 R CA -0.383 55.780 56.100 0.105 0.000 1.082 198 R CB 0.125 30.475 30.300 0.083 0.000 1.246 198 R HN 0.029 nan 8.270 nan 0.000 0.553 199 A N 1.369 124.230 122.820 0.068 0.000 2.584 199 A HA 0.055 4.375 4.320 0.001 0.000 0.239 199 A C 0.528 178.066 177.584 -0.076 0.000 1.043 199 A CA 0.145 52.163 52.037 -0.032 0.000 0.756 199 A CB 0.279 19.188 19.000 -0.152 0.000 0.963 199 A HN 0.114 nan 8.150 nan 0.000 0.511 200 V N 2.952 122.857 119.914 -0.015 0.000 3.036 200 V HA 0.082 4.202 4.120 0.001 0.000 0.308 200 V C 1.380 177.449 176.094 -0.042 0.000 1.070 200 V CA -0.431 61.867 62.300 -0.002 0.000 1.056 200 V CB 1.164 33.020 31.823 0.057 0.000 1.084 200 V HN 1.064 nan 8.190 nan 0.000 0.471 201 N N 1.892 120.539 118.700 -0.088 0.000 2.091 201 N HA -0.228 4.513 4.740 0.001 0.000 0.193 201 N C 1.488 177.008 175.510 0.017 0.000 1.021 201 N CA 1.653 54.626 53.050 -0.129 0.000 0.862 201 N CB -0.265 37.984 38.487 -0.398 0.000 1.018 201 N HN 0.661 nan 8.380 nan 0.000 0.429 202 Q N 0.499 120.301 119.800 0.004 0.000 2.291 202 Q HA -0.056 4.284 4.340 0.001 0.000 0.206 202 Q C 0.936 176.964 176.000 0.047 0.000 0.976 202 Q CA 0.917 56.739 55.803 0.032 0.000 0.875 202 Q CB 0.037 28.790 28.738 0.024 0.000 0.927 202 Q HN 0.387 nan 8.270 nan 0.000 0.450 203 D N -0.022 120.403 120.400 0.041 0.000 2.305 203 D HA -0.013 4.627 4.640 0.001 0.000 0.206 203 D C -0.046 176.285 176.300 0.052 0.000 0.974 203 D CA 0.444 54.474 54.000 0.049 0.000 0.871 203 D CB 0.168 40.992 40.800 0.040 0.000 0.947 203 D HN 0.176 nan 8.370 nan 0.000 0.516 204 K N 1.722 122.159 120.400 0.062 0.000 2.480 204 K HA 0.125 4.445 4.320 0.001 0.000 0.241 204 K C 1.020 177.627 176.600 0.012 0.000 1.261 204 K CA -0.031 56.296 56.287 0.066 0.000 1.193 204 K CB 0.428 33.010 32.500 0.137 0.000 1.598 204 K HN -0.081 nan 8.250 nan 0.000 0.278 205 K N 0.975 121.331 120.400 -0.074 0.000 2.555 205 K HA -0.081 4.239 4.320 0.001 0.000 0.193 205 K C 0.731 177.076 176.600 -0.424 0.000 1.032 205 K CA 0.726 56.848 56.287 -0.276 0.000 1.004 205 K CB 0.087 32.339 32.500 -0.413 0.000 0.804 205 K HN 0.447 nan 8.250 nan 0.000 0.496 206 N N -0.248 118.314 118.700 -0.229 0.000 2.204 206 N HA 0.034 4.775 4.740 0.001 0.000 0.219 206 N C -0.002 175.438 175.510 -0.118 0.000 1.151 206 N CA -0.016 52.960 53.050 -0.123 0.000 0.867 206 N CB 0.343 38.855 38.487 0.043 0.000 1.043 206 N HN -0.104 nan 8.380 nan 0.000 0.516 207 M N 0.730 120.204 119.600 -0.210 0.000 2.598 207 M HA 0.480 4.961 4.480 0.001 0.000 0.317 207 M C -0.762 175.204 176.300 -0.558 0.000 1.179 207 M CA -0.615 54.440 55.300 -0.409 0.000 0.936 207 M CB 2.273 34.494 32.600 -0.631 0.000 1.713 207 M HN -0.086 nan 8.290 nan 0.000 0.460 208 L N 1.879 122.763 121.223 -0.566 0.000 2.341 208 L HA 0.575 4.916 4.340 0.001 0.000 0.278 208 L C -1.313 175.238 176.870 -0.531 0.000 1.005 208 L CA -0.420 54.165 54.840 -0.426 0.000 0.818 208 L CB 1.502 43.456 42.059 -0.175 0.000 1.259 208 L HN 0.509 nan 8.230 nan 0.000 0.418 209 F N 0.764 120.713 119.950 -0.002 0.000 2.427 209 F HA 0.281 4.808 4.527 0.001 0.000 0.346 209 F C 0.951 176.752 175.800 0.003 0.000 1.120 209 F CA -0.582 57.416 58.000 -0.005 0.000 1.033 209 F CB 1.947 40.938 39.000 -0.016 0.000 1.126 209 F HN 0.381 nan 8.300 nan 0.000 0.462 210 S N 2.254 118.061 115.700 0.178 0.000 2.593 210 S HA 0.308 4.778 4.470 0.001 0.000 0.300 210 S C 1.104 175.776 174.600 0.120 0.000 1.267 210 S CA 1.175 59.444 58.200 0.117 0.000 1.065 210 S CB -0.132 63.125 63.200 0.095 0.000 0.807 210 S HN 1.201 nan 8.310 nan 0.000 0.499 211 G N 3.028 111.899 108.800 0.118 0.000 2.213 211 G HA2 -0.267 3.694 3.960 0.001 0.000 0.236 211 G HA3 -0.267 3.694 3.960 0.001 0.000 0.236 211 G C 0.349 175.334 174.900 0.142 0.000 0.991 211 G CA 0.582 45.770 45.100 0.146 0.000 0.629 211 G HN 1.359 nan 8.290 nan 0.000 0.517 212 T N -0.701 113.923 114.554 0.117 0.000 2.770 212 T HA 0.583 4.934 4.350 0.001 0.000 0.281 212 T C 0.097 174.861 174.700 0.108 0.000 0.981 212 T CA 0.392 62.557 62.100 0.109 0.000 0.955 212 T CB 1.561 70.501 68.868 0.121 0.000 1.060 212 T HN 1.375 nan 8.240 nan 0.000 0.531 213 N N -1.602 117.152 118.700 0.090 0.000 2.525 213 N HA 0.470 5.210 4.740 0.001 0.000 0.270 213 N C -1.376 174.165 175.510 0.052 0.000 1.321 213 N CA -1.143 51.949 53.050 0.071 0.000 0.797 213 N CB 1.107 39.639 38.487 0.075 0.000 1.529 213 N HN 0.461 nan 8.380 nan 0.000 0.491 214 I N 1.283 121.877 120.570 0.040 0.000 2.301 214 I HA 0.252 4.423 4.170 0.001 0.000 0.292 214 I C 1.043 177.177 176.117 0.028 0.000 1.046 214 I CA -0.356 60.962 61.300 0.031 0.000 1.282 214 I CB 0.201 38.218 38.000 0.027 0.000 1.409 214 I HN 0.967 nan 8.210 nan 0.000 0.484 215 A N 5.434 128.268 122.820 0.024 0.000 2.067 215 A HA 0.525 4.845 4.320 0.001 0.000 0.217 215 A C 0.992 178.587 177.584 0.019 0.000 1.156 215 A CA 0.953 53.002 52.037 0.019 0.000 0.683 215 A CB 0.144 19.151 19.000 0.012 0.000 0.808 215 A HN 0.833 nan 8.150 nan 0.000 0.455 216 A N -3.134 119.699 122.820 0.022 0.000 2.590 216 A HA 0.630 4.950 4.320 0.001 0.000 0.294 216 A C 0.264 177.869 177.584 0.035 0.000 1.046 216 A CA 0.168 52.222 52.037 0.029 0.000 0.684 216 A CB -0.224 18.794 19.000 0.029 0.000 1.279 216 A HN 2.139 nan 8.150 nan 0.000 0.415 217 G N 0.307 109.132 108.800 0.043 0.000 2.660 217 G HA2 0.310 4.271 3.960 0.001 0.000 0.247 217 G HA3 0.310 4.271 3.960 0.001 0.000 0.247 217 G C -0.596 174.329 174.900 0.041 0.000 1.328 217 G CA -0.031 45.097 45.100 0.047 0.000 0.884 217 G HN 1.285 nan 8.290 nan 0.000 0.531 218 K N -0.300 120.125 120.400 0.042 0.000 2.513 218 K HA 0.732 5.052 4.320 0.001 0.000 0.251 218 K C -0.382 176.242 176.600 0.039 0.000 0.939 218 K CA -0.064 56.248 56.287 0.042 0.000 0.793 218 K CB 1.639 34.166 32.500 0.045 0.000 1.241 218 K HN 1.867 nan 8.250 nan 0.000 0.431 219 A N 3.312 126.155 122.820 0.039 0.000 2.594 219 A HA 0.713 5.033 4.320 0.001 0.000 0.291 219 A C -2.090 175.520 177.584 0.044 0.000 1.105 219 A CA -0.741 51.317 52.037 0.034 0.000 0.694 219 A CB 1.511 20.523 19.000 0.021 0.000 1.291 219 A HN 0.563 nan 8.150 nan 0.000 0.410 220 L N 0.469 121.712 121.223 0.034 0.000 2.346 220 L HA 0.812 5.153 4.340 0.001 0.000 0.276 220 L C 0.417 177.301 176.870 0.023 0.000 1.006 220 L CA 0.477 55.341 54.840 0.041 0.000 0.817 220 L CB 1.971 44.035 42.059 0.009 0.000 1.272 220 L HN 1.110 nan 8.230 nan 0.000 0.421 221 G N 3.709 112.526 108.800 0.028 0.000 2.766 221 G HA2 0.577 4.537 3.960 0.001 0.000 0.288 221 G HA3 0.577 4.537 3.960 0.001 0.000 0.288 221 G C -1.925 172.985 174.900 0.015 0.000 1.408 221 G CA -0.551 44.555 45.100 0.011 0.000 0.852 221 G HN 0.639 nan 8.290 nan 0.000 0.487 222 I N 0.493 121.071 120.570 0.012 0.000 2.465 222 I HA 0.496 4.666 4.170 0.001 0.000 0.291 222 I C -0.445 175.664 176.117 -0.012 0.000 1.014 222 I CA -0.964 60.340 61.300 0.008 0.000 1.093 222 I CB 1.943 39.982 38.000 0.065 0.000 1.267 222 I HN 0.235 nan 8.210 nan 0.000 0.431 223 V N 8.291 128.163 119.914 -0.071 0.000 2.479 223 V HA 0.135 4.255 4.120 0.001 0.000 0.281 223 V C 1.099 177.164 176.094 -0.048 0.000 1.031 223 V CA 0.691 62.944 62.300 -0.079 0.000 1.038 223 V CB 0.653 32.407 31.823 -0.116 0.000 0.981 223 V HN 0.971 nan 8.190 nan 0.000 0.478 224 A N 4.612 127.435 122.820 0.005 0.000 1.924 224 A HA 0.297 4.617 4.320 0.001 0.000 0.211 224 A C 1.050 178.639 177.584 0.008 0.000 1.198 224 A CA 1.142 53.217 52.037 0.062 0.000 0.657 224 A CB 0.154 19.172 19.000 0.030 0.000 0.852 224 A HN 0.871 nan 8.150 nan 0.000 0.454 225 T N -3.213 111.328 114.554 -0.022 0.000 2.868 225 T HA 0.583 4.933 4.350 0.001 0.000 0.306 225 T C -0.482 174.205 174.700 -0.022 0.000 1.224 225 T CA 0.067 62.143 62.100 -0.041 0.000 1.012 225 T CB 1.540 70.408 68.868 -0.001 0.000 1.221 225 T HN 0.693 nan 8.240 nan 0.000 0.499 226 T N -1.957 112.585 114.554 -0.020 0.000 2.716 226 T HA 0.850 5.201 4.350 0.001 0.000 0.286 226 T C 0.979 175.704 174.700 0.042 0.000 1.052 226 T CA 0.068 62.176 62.100 0.014 0.000 1.024 226 T CB 1.048 69.922 68.868 0.009 0.000 1.349 226 T HN 2.246 nan 8.240 nan 0.000 0.525 227 G N 0.073 108.907 108.800 0.057 0.000 2.582 227 G HA2 -0.287 3.673 3.960 0.001 0.000 0.288 227 G HA3 -0.287 3.673 3.960 0.001 0.000 0.288 227 G C 1.076 176.009 174.900 0.056 0.000 1.247 227 G CA 1.645 46.785 45.100 0.067 0.000 0.972 227 G HN 2.098 nan 8.290 nan 0.000 0.557 228 V N -2.356 117.590 119.914 0.054 0.000 3.305 228 V HA 0.299 4.420 4.120 0.001 0.000 0.269 228 V C 1.920 178.036 176.094 0.037 0.000 1.157 228 V CA 2.392 64.716 62.300 0.040 0.000 1.157 228 V CB 0.111 31.955 31.823 0.036 0.000 0.772 228 V HN 0.941 nan 8.190 nan 0.000 0.498 229 S N 1.767 117.494 115.700 0.045 0.000 2.768 229 S HA 0.227 4.697 4.470 0.001 0.000 0.246 229 S C 0.731 175.358 174.600 0.044 0.000 1.006 229 S CA 0.492 58.717 58.200 0.042 0.000 1.075 229 S CB -0.835 62.393 63.200 0.046 0.000 0.786 229 S HN 0.962 nan 8.310 nan 0.000 0.468 230 T N -2.148 112.433 114.554 0.046 0.000 2.930 230 T HA 0.452 4.802 4.350 0.001 0.000 0.290 230 T C 0.808 175.533 174.700 0.040 0.000 1.052 230 T CA -0.868 61.272 62.100 0.067 0.000 1.017 230 T CB 1.296 70.210 68.868 0.077 0.000 1.137 230 T HN -0.161 nan 8.240 nan 0.000 0.511 231 E N 0.454 120.680 120.200 0.044 0.000 2.086 231 E HA -0.147 4.204 4.350 0.001 0.000 0.200 231 E C 1.746 178.311 176.600 -0.059 0.000 1.012 231 E CA 1.356 57.719 56.400 -0.062 0.000 0.812 231 E CB -0.334 29.235 29.700 -0.220 0.000 0.743 231 E HN 0.738 nan 8.360 nan 0.000 0.453 232 I N 0.408 120.964 120.570 -0.022 0.000 2.493 232 I HA -0.124 4.047 4.170 0.001 0.000 0.254 232 I C 2.049 178.159 176.117 -0.012 0.000 1.160 232 I CA 1.295 62.578 61.300 -0.030 0.000 1.445 232 I CB -0.173 37.823 38.000 -0.006 0.000 1.086 232 I HN 0.053 nan 8.210 nan 0.000 0.433 233 G N 0.621 109.425 108.800 0.006 0.000 2.422 233 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 233 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 233 G C 1.690 176.587 174.900 -0.005 0.000 1.140 233 G CA 0.464 45.570 45.100 0.011 0.000 0.775 233 G HN 0.340 nan 8.290 nan 0.000 0.545 234 K N -0.107 120.281 120.400 -0.020 0.000 2.057 234 K HA 0.069 4.389 4.320 0.001 0.000 0.206 234 K C 2.376 178.951 176.600 -0.041 0.000 1.050 234 K CA 0.782 57.048 56.287 -0.034 0.000 0.935 234 K CB -0.207 32.262 32.500 -0.052 0.000 0.715 234 K HN 0.310 nan 8.250 nan 0.000 0.439 235 I N 0.981 121.522 120.570 -0.048 0.000 2.226 235 I HA -0.283 3.888 4.170 0.001 0.000 0.245 235 I C 2.719 178.818 176.117 -0.030 0.000 1.100 235 I CA 0.978 62.249 61.300 -0.049 0.000 1.374 235 I CB -0.221 37.740 38.000 -0.065 0.000 1.057 235 I HN 0.163 nan 8.210 nan 0.000 0.413 236 R N 1.101 121.590 120.500 -0.018 0.000 2.081 236 R HA -0.194 4.146 4.340 0.001 0.000 0.235 236 R C 1.566 177.862 176.300 -0.007 0.000 1.131 236 R CA 1.935 58.032 56.100 -0.005 0.000 0.960 236 R CB -0.481 29.824 30.300 0.009 0.000 0.856 236 R HN 0.321 nan 8.270 nan 0.000 0.436 237 D N 0.602 120.995 120.400 -0.011 0.000 2.178 237 D HA -0.113 4.528 4.640 0.001 0.000 0.202 237 D C 1.979 178.267 176.300 -0.021 0.000 0.974 237 D CA 0.927 54.920 54.000 -0.013 0.000 0.841 237 D CB -0.052 40.740 40.800 -0.012 0.000 0.953 237 D HN 0.403 nan 8.370 nan 0.000 0.478 238 Q N -0.477 119.306 119.800 -0.028 0.000 2.230 238 Q HA 0.039 4.380 4.340 0.001 0.000 0.202 238 Q C 2.005 177.989 176.000 -0.027 0.000 0.963 238 Q CA 0.608 56.391 55.803 -0.034 0.000 0.866 238 Q CB -0.001 28.711 28.738 -0.044 0.000 0.931 238 Q HN 0.345 nan 8.270 nan 0.000 0.452 239 M N -0.251 119.336 119.600 -0.022 0.000 2.419 239 M HA 0.002 4.483 4.480 0.001 0.000 0.264 239 M C 2.058 178.351 176.300 -0.012 0.000 1.082 239 M CA 0.849 56.139 55.300 -0.016 0.000 1.119 239 M CB 0.091 32.684 32.600 -0.011 0.000 1.398 239 M HN 0.160 nan 8.290 nan 0.000 0.453 240 A N 0.480 123.293 122.820 -0.011 0.000 1.975 240 A HA 0.305 4.626 4.320 0.001 0.000 0.215 240 A C 1.573 179.151 177.584 -0.010 0.000 1.170 240 A CA 0.703 52.736 52.037 -0.007 0.000 0.656 240 A CB -0.537 18.460 19.000 -0.004 0.000 0.821 240 A HN 0.383 nan 8.150 nan 0.000 0.449 241 A N 1.493 124.304 122.820 -0.015 0.000 3.092 241 A HA 0.362 4.682 4.320 0.001 0.000 0.278 241 A C 0.267 177.840 177.584 -0.018 0.000 1.956 241 A CA 0.354 52.380 52.037 -0.018 0.000 1.501 241 A CB -1.400 17.585 19.000 -0.025 0.000 0.977 241 A HN 0.227 nan 8.150 nan 0.000 0.607 242 T N 2.136 116.682 114.554 -0.013 0.000 2.782 242 T HA 0.213 4.563 4.350 0.001 0.000 0.298 242 T C 1.209 175.902 174.700 -0.012 0.000 0.944 242 T CA 0.064 62.157 62.100 -0.012 0.000 1.001 242 T CB 0.398 69.261 68.868 -0.008 0.000 0.932 242 T HN 0.786 nan 8.240 nan 0.000 0.524 243 E N 2.254 122.445 120.200 -0.014 0.000 2.489 243 E HA -0.040 4.310 4.350 0.001 0.000 0.193 243 E C 0.048 176.642 176.600 -0.010 0.000 1.057 243 E CA -0.237 56.155 56.400 -0.013 0.000 0.866 243 E CB -0.216 29.474 29.700 -0.017 0.000 0.916 243 E HN 0.629 nan 8.360 nan 0.000 0.500 244 Q N 1.665 121.460 119.800 -0.009 0.000 2.372 244 Q HA -0.228 4.113 4.340 0.001 0.000 0.333 244 Q C -0.481 175.515 176.000 -0.006 0.000 1.285 244 Q CA 1.183 56.982 55.803 -0.007 0.000 0.983 244 Q CB -1.469 27.267 28.738 -0.003 0.000 1.229 244 Q HN 0.361 nan 8.270 nan 0.000 0.442 245 D N 1.075 121.470 120.400 -0.008 0.000 2.174 245 D HA 0.218 4.858 4.640 0.001 0.000 0.245 245 D C 0.503 176.802 176.300 -0.002 0.000 1.301 245 D CA 0.376 54.373 54.000 -0.005 0.000 0.959 245 D CB 0.486 41.282 40.800 -0.008 0.000 1.231 245 D HN 0.356 nan 8.370 nan 0.000 0.535 246 K N -1.674 118.727 120.400 0.001 0.000 2.557 246 K HA 0.357 4.678 4.320 0.001 0.000 0.261 246 K C -1.009 175.597 176.600 0.010 0.000 0.932 246 K CA -0.871 55.419 56.287 0.006 0.000 0.829 246 K CB 1.008 33.515 32.500 0.012 0.000 1.358 246 K HN 0.092 nan 8.250 nan 0.000 0.430 247 T N 3.806 118.368 114.554 0.013 0.000 2.872 247 T HA -0.054 4.297 4.350 0.001 0.000 0.292 247 T C -1.558 173.158 174.700 0.026 0.000 1.036 247 T CA -0.332 61.780 62.100 0.019 0.000 1.136 247 T CB 0.098 68.984 68.868 0.031 0.000 1.052 247 T HN 0.409 nan 8.240 nan 0.000 0.512 248 P HA -0.124 nan 4.420 nan 0.000 0.217 248 P C 1.696 179.029 177.300 0.054 0.000 1.162 248 P CA 1.102 64.217 63.100 0.026 0.000 0.901 248 P CB 0.049 31.749 31.700 0.001 0.000 0.793 249 L N -1.262 120.009 121.223 0.080 0.000 2.141 249 L HA -0.197 4.144 4.340 0.001 0.000 0.209 249 L C 2.628 179.534 176.870 0.060 0.000 1.094 249 L CA 1.259 56.151 54.840 0.086 0.000 0.763 249 L CB -0.645 41.475 42.059 0.102 0.000 0.908 249 L HN -0.028 nan 8.230 nan 0.000 0.437 250 Q N -0.108 119.724 119.800 0.053 0.000 2.291 250 Q HA -0.269 4.072 4.340 0.001 0.000 0.205 250 Q C 1.938 177.966 176.000 0.046 0.000 0.970 250 Q CA 1.652 57.483 55.803 0.046 0.000 0.876 250 Q CB -0.079 28.681 28.738 0.036 0.000 0.935 250 Q HN 0.383 nan 8.270 nan 0.000 0.455 251 Q N -0.410 119.417 119.800 0.044 0.000 2.302 251 Q HA 0.012 4.352 4.340 0.001 0.000 0.202 251 Q C 1.343 177.379 176.000 0.060 0.000 0.936 251 Q CA 1.075 56.905 55.803 0.044 0.000 0.886 251 Q CB 0.120 28.878 28.738 0.034 0.000 0.986 251 Q HN 0.205 nan 8.270 nan 0.000 0.487 252 K N 0.304 120.745 120.400 0.067 0.000 2.057 252 K HA -0.054 4.267 4.320 0.001 0.000 0.206 252 K C 2.023 178.692 176.600 0.115 0.000 1.050 252 K CA 1.005 57.343 56.287 0.085 0.000 0.935 252 K CB -0.434 32.108 32.500 0.070 0.000 0.715 252 K HN 0.304 nan 8.250 nan 0.000 0.439 253 L N 1.032 122.312 121.223 0.095 0.000 1.943 253 L HA -0.230 4.110 4.340 0.001 0.000 0.215 253 L C 2.268 179.219 176.870 0.134 0.000 1.074 253 L CA 1.588 56.500 54.840 0.121 0.000 0.759 253 L CB -0.833 41.275 42.059 0.082 0.000 0.888 253 L HN 0.130 nan 8.230 nan 0.000 0.433 254 D N -0.232 120.219 120.400 0.085 0.000 2.191 254 D HA -0.259 4.381 4.640 0.001 0.000 0.195 254 D C 2.091 178.432 176.300 0.069 0.000 1.003 254 D CA 1.509 55.547 54.000 0.063 0.000 0.867 254 D CB 0.002 40.827 40.800 0.042 0.000 0.926 254 D HN 0.391 nan 8.370 nan 0.000 0.450 255 E N -0.797 119.457 120.200 0.089 0.000 2.007 255 E HA -0.214 4.136 4.350 0.001 0.000 0.194 255 E C 2.127 178.797 176.600 0.116 0.000 0.999 255 E CA 0.749 57.203 56.400 0.090 0.000 0.811 255 E CB -0.592 29.170 29.700 0.103 0.000 0.762 255 E HN 0.332 nan 8.360 nan 0.000 0.450 256 F N 1.631 121.594 119.950 0.021 0.000 2.307 256 F HA -0.041 4.486 4.527 0.001 0.000 0.301 256 F C 1.922 177.734 175.800 0.020 0.000 1.076 256 F CA 1.600 59.615 58.000 0.025 0.000 1.383 256 F CB -0.533 38.487 39.000 0.032 0.000 1.055 256 F HN 0.150 nan 8.300 nan 0.000 0.526 257 G N -0.069 108.754 108.800 0.039 0.000 2.459 257 G HA2 -0.290 3.671 3.960 0.001 0.000 0.217 257 G HA3 -0.290 3.671 3.960 0.001 0.000 0.217 257 G C 1.528 176.359 174.900 -0.115 0.000 1.183 257 G CA 1.001 46.077 45.100 -0.041 0.000 0.776 257 G HN 0.462 nan 8.290 nan 0.000 0.552 258 E N -0.092 120.062 120.200 -0.076 0.000 2.110 258 E HA -0.129 4.222 4.350 0.001 0.000 0.193 258 E C 2.689 179.206 176.600 -0.138 0.000 0.988 258 E CA 0.825 57.178 56.400 -0.079 0.000 0.804 258 E CB -0.093 29.585 29.700 -0.038 0.000 0.745 258 E HN 0.315 nan 8.360 nan 0.000 0.458 259 Q N 0.363 120.041 119.800 -0.203 0.000 2.002 259 Q HA -0.180 4.160 4.340 0.001 0.000 0.204 259 Q C 2.307 178.078 176.000 -0.381 0.000 0.988 259 Q CA 1.140 56.774 55.803 -0.282 0.000 0.843 259 Q CB -0.343 28.191 28.738 -0.340 0.000 0.908 259 Q HN 0.238 nan 8.270 nan 0.000 0.420 260 L N 0.867 121.717 121.223 -0.621 0.000 2.240 260 L HA -0.057 4.283 4.340 0.001 0.000 0.211 260 L C 2.219 178.955 176.870 -0.223 0.000 1.106 260 L CA 1.725 56.277 54.840 -0.480 0.000 0.793 260 L CB -0.605 41.094 42.059 -0.600 0.000 0.927 260 L HN 0.189 nan 8.230 nan 0.000 0.446 261 S N -2.224 113.367 115.700 -0.181 0.000 2.522 261 S HA -0.034 4.437 4.470 0.001 0.000 0.227 261 S C 1.757 176.314 174.600 -0.072 0.000 0.986 261 S CA 0.258 58.400 58.200 -0.098 0.000 0.929 261 S CB -0.161 62.994 63.200 -0.074 0.000 0.769 261 S HN 0.308 nan 8.310 nan 0.000 0.529 262 K N 1.176 121.526 120.400 -0.085 0.000 2.214 262 K HA 0.320 4.640 4.320 0.001 0.000 0.201 262 K C 2.092 178.662 176.600 -0.050 0.000 1.049 262 K CA 0.744 56.997 56.287 -0.057 0.000 0.978 262 K CB -1.107 31.360 32.500 -0.054 0.000 0.842 262 K HN 0.300 nan 8.250 nan 0.000 0.474 263 V N 2.265 122.138 119.914 -0.069 0.000 2.439 263 V HA -0.248 3.872 4.120 0.001 0.000 0.253 263 V C 2.246 178.316 176.094 -0.039 0.000 1.074 263 V CA 1.617 63.886 62.300 -0.051 0.000 1.076 263 V CB -0.524 31.264 31.823 -0.059 0.000 0.664 263 V HN 0.184 nan 8.190 nan 0.000 0.461 264 I N 0.434 120.980 120.570 -0.039 0.000 2.339 264 I HA -0.149 4.022 4.170 0.001 0.000 0.245 264 I C 2.676 178.795 176.117 0.004 0.000 1.096 264 I CA 1.382 62.672 61.300 -0.016 0.000 1.408 264 I CB -0.421 37.569 38.000 -0.016 0.000 1.092 264 I HN 0.457 nan 8.210 nan 0.000 0.423 265 S N 1.636 117.335 115.700 -0.002 0.000 2.383 265 S HA -0.169 4.301 4.470 0.001 0.000 0.229 265 S C 1.968 176.582 174.600 0.023 0.000 1.030 265 S CA 1.118 59.325 58.200 0.011 0.000 1.002 265 S CB -0.945 62.252 63.200 -0.005 0.000 0.829 265 S HN 0.389 nan 8.310 nan 0.000 0.467 266 L N 0.705 121.934 121.223 0.011 0.000 2.044 266 L HA 0.084 4.424 4.340 0.001 0.000 0.205 266 L C 2.666 179.561 176.870 0.040 0.000 1.075 266 L CA 1.188 56.040 54.840 0.020 0.000 0.747 266 L CB -0.629 41.431 42.059 0.001 0.000 0.903 266 L HN 0.280 nan 8.230 nan 0.000 0.435 267 I N -0.783 119.795 120.570 0.013 0.000 2.614 267 I HA -0.281 3.890 4.170 0.001 0.000 0.258 267 I C 2.458 178.649 176.117 0.123 0.000 1.189 267 I CA 0.735 62.039 61.300 0.006 0.000 1.462 267 I CB -0.293 37.667 38.000 -0.067 0.000 1.092 267 I HN 0.430 nan 8.210 nan 0.000 0.442 268 C N -0.328 119.044 119.300 0.121 0.000 2.486 268 C HA -0.056 4.404 4.460 0.001 0.000 0.279 268 C C 2.829 178.008 174.990 0.315 0.000 1.302 268 C CA 0.409 59.531 59.018 0.174 0.000 1.720 268 C CB -0.321 27.498 27.740 0.131 0.000 2.030 268 C HN 0.412 nan 8.230 nan 0.000 0.490 269 V N 0.926 120.984 119.914 0.240 0.000 2.809 269 V HA 0.002 4.122 4.120 0.001 0.000 0.256 269 V C 2.327 178.638 176.094 0.361 0.000 1.080 269 V CA 1.937 64.399 62.300 0.270 0.000 1.102 269 V CB -0.448 31.429 31.823 0.091 0.000 0.705 269 V HN 0.503 nan 8.190 nan 0.000 0.475 270 A N -0.636 122.361 122.820 0.295 0.000 1.898 270 A HA -0.065 4.256 4.320 0.001 0.000 0.214 270 A C 2.246 180.090 177.584 0.432 0.000 1.183 270 A CA 1.698 53.925 52.037 0.318 0.000 0.622 270 A CB -0.541 18.593 19.000 0.223 0.000 0.824 270 A HN 0.378 nan 8.150 nan 0.000 0.444 271 V N -2.114 118.088 119.914 0.480 0.000 2.594 271 V HA -0.235 3.885 4.120 0.001 0.000 0.253 271 V C 2.093 178.415 176.094 0.381 0.000 1.069 271 V CA 1.704 64.233 62.300 0.381 0.000 1.082 271 V CB -0.782 31.207 31.823 0.276 0.000 0.680 271 V HN 0.850 nan 8.190 nan 0.000 0.469 272 W N 0.001 121.502 121.300 0.335 0.000 2.467 272 W HA -0.040 4.621 4.660 0.001 0.000 0.275 272 W C 2.007 178.570 176.519 0.073 0.000 1.239 272 W CA 1.035 58.548 57.345 0.281 0.000 1.266 272 W CB 0.046 29.621 29.460 0.191 0.000 1.112 272 W HN 0.153 nan 8.180 nan 0.000 0.576 273 L N 0.177 121.549 121.223 0.249 0.000 2.109 273 L HA -0.139 4.202 4.340 0.001 0.000 0.207 273 L C 2.037 178.823 176.870 -0.140 0.000 1.086 273 L CA 1.035 55.897 54.840 0.036 0.000 0.760 273 L CB -0.605 41.563 42.059 0.182 0.000 0.910 273 L HN -0.018 nan 8.230 nan 0.000 0.437 274 I N -0.424 120.102 120.570 -0.074 0.000 3.251 274 I HA -0.114 4.056 4.170 0.001 0.000 0.277 274 I C 1.831 177.719 176.117 -0.382 0.000 1.268 274 I CA 0.447 61.640 61.300 -0.179 0.000 1.449 274 I CB -0.296 37.648 38.000 -0.094 0.000 1.083 274 I HN 0.268 nan 8.210 nan 0.000 0.464 275 N N 1.362 119.887 118.700 -0.291 0.000 2.415 275 N HA -0.043 4.697 4.740 0.001 0.000 0.176 275 N C 1.466 176.693 175.510 -0.472 0.000 1.042 275 N CA 0.739 53.619 53.050 -0.284 0.000 0.902 275 N CB 0.207 38.693 38.487 -0.001 0.000 0.986 275 N HN 0.157 nan 8.380 nan 0.000 0.447 276 I N -0.193 119.960 120.570 -0.695 0.000 3.728 276 I HA 0.303 4.474 4.170 0.001 0.000 0.307 276 I C 1.745 177.664 176.117 -0.329 0.000 1.276 276 I CA 0.013 60.899 61.300 -0.691 0.000 1.285 276 I CB -0.187 37.000 38.000 -1.355 0.000 1.038 276 I HN 0.156 nan 8.210 nan 0.000 0.445 277 G N 0.270 108.835 108.800 -0.392 0.000 2.414 277 G HA2 -0.257 3.704 3.960 0.001 0.000 0.215 277 G HA3 -0.257 3.704 3.960 0.001 0.000 0.215 277 G C 0.885 175.685 174.900 -0.166 0.000 1.188 277 G CA 0.891 45.830 45.100 -0.268 0.000 0.783 277 G HN 0.652 nan 8.290 nan 0.000 0.537 278 H N -1.280 117.782 119.070 -0.012 0.000 2.704 278 H HA 0.440 4.996 4.556 0.001 0.000 0.315 278 H C 0.905 176.252 175.328 0.032 0.000 1.117 278 H CA -0.729 55.312 56.048 -0.010 0.000 1.129 278 H CB -0.297 29.433 29.762 -0.052 0.000 1.439 278 H HN 0.331 nan 8.280 nan 0.000 0.528 279 F N 1.882 121.789 119.950 -0.072 0.000 2.746 279 F HA 0.058 4.586 4.527 0.001 0.000 0.297 279 F C 1.168 177.009 175.800 0.068 0.000 1.113 279 F CA -0.170 57.840 58.000 0.017 0.000 1.367 279 F CB 0.328 39.252 39.000 -0.128 0.000 1.111 279 F HN 0.215 nan 8.300 nan 0.000 0.590 280 N N 0.243 118.931 118.700 -0.020 0.000 2.383 280 N HA 0.011 4.751 4.740 0.001 0.000 0.192 280 N C -0.798 174.657 175.510 -0.092 0.000 1.141 280 N CA 0.688 53.689 53.050 -0.081 0.000 0.851 280 N CB -0.528 37.982 38.487 0.038 0.000 0.976 280 N HN 0.462 nan 8.380 nan 0.000 0.465 281 D N -1.966 118.373 120.400 -0.103 0.000 3.256 281 D HA 0.201 4.841 4.640 0.001 0.000 0.332 281 D C -2.326 173.871 176.300 -0.171 0.000 1.327 281 D CA -1.180 52.756 54.000 -0.106 0.000 0.735 281 D CB 0.551 41.319 40.800 -0.053 0.000 1.280 281 D HN -0.008 nan 8.370 nan 0.000 0.572 282 P HA 0.031 nan 4.420 nan 0.000 0.245 282 P C 1.220 178.269 177.300 -0.418 0.000 1.206 282 P CA 0.480 63.310 63.100 -0.450 0.000 0.781 282 P CB 0.166 31.347 31.700 -0.865 0.000 0.994 283 V N -3.973 115.779 119.914 -0.271 0.000 2.888 283 V HA -0.364 3.756 4.120 0.001 0.000 0.152 283 V C 0.033 176.048 176.094 -0.131 0.000 0.471 283 V CA 1.416 63.626 62.300 -0.150 0.000 1.184 283 V CB -3.663 28.078 31.823 -0.136 0.000 1.371 283 V HN 0.424 nan 8.190 nan 0.000 1.055 284 H N -0.446 118.442 119.070 -0.304 0.000 2.207 284 H HA -0.061 4.496 4.556 0.001 0.000 0.325 284 H C 1.474 176.650 175.328 -0.253 0.000 0.959 284 H CA 1.358 57.197 56.048 -0.348 0.000 1.085 284 H CB -1.232 28.383 29.762 -0.245 0.000 1.582 284 H HN 0.983 nan 8.280 nan 0.000 0.361 285 G N -0.542 108.139 108.800 -0.199 0.000 2.719 285 G HA2 0.178 4.139 3.960 0.001 0.000 0.211 285 G HA3 0.178 4.139 3.960 0.001 0.000 0.211 285 G C 1.328 176.141 174.900 -0.145 0.000 1.140 285 G CA 0.339 45.356 45.100 -0.138 0.000 0.790 285 G HN 0.607 nan 8.290 nan 0.000 0.529 286 G N 0.538 109.207 108.800 -0.218 0.000 4.379 286 G HA2 0.463 4.424 3.960 0.001 0.000 0.290 286 G HA3 0.463 4.424 3.960 0.001 0.000 0.290 286 G C 0.724 175.483 174.900 -0.236 0.000 1.065 286 G CA 1.027 46.018 45.100 -0.181 0.000 0.833 286 G HN 0.999 nan 8.290 nan 0.000 0.512 287 S N -0.739 114.781 115.700 -0.299 0.000 4.050 287 S HA -0.356 4.114 4.470 0.001 0.000 0.602 287 S C 0.932 175.107 174.600 -0.709 0.000 2.030 287 S CA 1.818 59.799 58.200 -0.365 0.000 4.208 287 S CB -1.046 62.116 63.200 -0.063 0.000 0.290 287 S HN 0.799 nan 8.310 nan 0.000 0.615 288 W N 0.127 121.446 121.300 0.032 0.000 2.079 288 W HA 0.550 5.210 4.660 0.001 0.000 0.285 288 W C 1.900 178.432 176.519 0.022 0.000 0.891 288 W CA -0.142 57.218 57.345 0.025 0.000 1.308 288 W CB 0.033 29.527 29.460 0.057 0.000 1.047 288 W HN 0.604 nan 8.180 nan 0.000 0.522 289 I N 1.419 122.093 120.570 0.172 0.000 2.286 289 I HA -0.286 3.885 4.170 0.001 0.000 0.248 289 I C 2.128 178.307 176.117 0.104 0.000 1.115 289 I CA 1.750 63.121 61.300 0.119 0.000 1.392 289 I CB 0.139 38.184 38.000 0.074 0.000 1.065 289 I HN -0.004 nan 8.210 nan 0.000 0.418 290 R N 0.426 120.969 120.500 0.072 0.000 2.090 290 R HA -0.029 4.311 4.340 0.001 0.000 0.228 290 R C 2.288 178.663 176.300 0.126 0.000 1.110 290 R CA 1.225 57.368 56.100 0.073 0.000 0.973 290 R CB -0.609 29.692 30.300 0.002 0.000 0.869 290 R HN 0.483 nan 8.270 nan 0.000 0.440 291 G N 1.003 109.890 108.800 0.144 0.000 2.394 291 G HA2 -0.163 3.797 3.960 0.001 0.000 0.214 291 G HA3 -0.163 3.797 3.960 0.001 0.000 0.214 291 G C 1.430 176.440 174.900 0.182 0.000 1.176 291 G CA 0.557 45.787 45.100 0.218 0.000 0.786 291 G HN 0.368 nan 8.290 nan 0.000 0.533 292 A N -0.286 122.596 122.820 0.102 0.000 2.235 292 A HA 0.387 4.707 4.320 0.001 0.000 0.208 292 A C 2.046 179.437 177.584 -0.321 0.000 1.172 292 A CA 0.431 52.380 52.037 -0.146 0.000 0.786 292 A CB -0.186 18.767 19.000 -0.079 0.000 0.804 292 A HN 0.401 nan 8.150 nan 0.000 0.479 293 I N -2.991 117.569 120.570 -0.017 0.000 3.616 293 I HA -0.001 4.169 4.170 0.001 0.000 0.296 293 I C 1.977 178.185 176.117 0.151 0.000 1.226 293 I CA 0.381 61.732 61.300 0.084 0.000 1.394 293 I CB 0.043 38.137 38.000 0.157 0.000 1.171 293 I HN 0.499 nan 8.210 nan 0.000 0.442 294 Y N 0.417 120.764 120.300 0.078 0.000 2.509 294 Y HA -0.266 4.285 4.550 0.001 0.000 0.293 294 Y C 2.266 178.240 175.900 0.124 0.000 1.133 294 Y CA 1.457 59.625 58.100 0.113 0.000 1.283 294 Y CB -0.127 38.411 38.460 0.130 0.000 1.001 294 Y HN 0.204 nan 8.280 nan 0.000 0.555 295 Y N -0.796 119.487 120.300 -0.028 0.000 2.365 295 Y HA -0.074 4.477 4.550 0.001 0.000 0.293 295 Y C 1.498 177.403 175.900 0.008 0.000 1.119 295 Y CA 1.305 59.367 58.100 -0.063 0.000 1.203 295 Y CB -0.481 37.935 38.460 -0.074 0.000 1.026 295 Y HN 0.125 nan 8.280 nan 0.000 0.549 296 F N 0.475 120.517 119.950 0.153 0.000 2.187 296 F HA -0.107 4.421 4.527 0.001 0.000 0.295 296 F C 2.521 178.295 175.800 -0.043 0.000 1.091 296 F CA 0.910 58.949 58.000 0.065 0.000 1.308 296 F CB -0.291 38.789 39.000 0.134 0.000 1.030 296 F HN -0.122 nan 8.300 nan 0.000 0.487 297 K N 1.086 121.561 120.400 0.125 0.000 2.127 297 K HA -0.238 4.082 4.320 0.001 0.000 0.208 297 K C 1.899 178.432 176.600 -0.112 0.000 1.047 297 K CA 1.628 57.908 56.287 -0.011 0.000 0.927 297 K CB -0.223 32.236 32.500 -0.068 0.000 0.716 297 K HN 0.223 nan 8.250 nan 0.000 0.450 298 I N 1.164 121.593 120.570 -0.234 0.000 2.233 298 I HA -0.165 4.005 4.170 0.001 0.000 0.243 298 I C 2.655 178.686 176.117 -0.144 0.000 1.093 298 I CA 1.267 62.417 61.300 -0.249 0.000 1.380 298 I CB -1.414 36.368 38.000 -0.363 0.000 1.067 298 I HN 0.287 nan 8.210 nan 0.000 0.413 299 A N 0.871 123.602 122.820 -0.147 0.000 1.865 299 A HA -0.184 4.136 4.320 0.001 0.000 0.217 299 A C 2.494 180.072 177.584 -0.008 0.000 1.191 299 A CA 2.018 54.015 52.037 -0.066 0.000 0.623 299 A CB -1.126 17.876 19.000 0.004 0.000 0.826 299 A HN 0.237 nan 8.150 nan 0.000 0.444 300 V N -0.372 119.550 119.914 0.014 0.000 2.469 300 V HA -0.257 3.864 4.120 0.001 0.000 0.251 300 V C 2.912 179.015 176.094 0.015 0.000 1.064 300 V CA 1.990 64.304 62.300 0.023 0.000 1.066 300 V CB -0.984 30.861 31.823 0.037 0.000 0.667 300 V HN 0.650 nan 8.190 nan 0.000 0.461 301 A N -1.056 121.762 122.820 -0.003 0.000 1.975 301 A HA 0.041 4.361 4.320 0.001 0.000 0.215 301 A C 2.163 179.756 177.584 0.014 0.000 1.170 301 A CA 0.973 53.011 52.037 0.003 0.000 0.656 301 A CB -0.238 18.753 19.000 -0.015 0.000 0.821 301 A HN 0.466 nan 8.150 nan 0.000 0.449 302 L N -0.761 120.468 121.223 0.010 0.000 2.023 302 L HA -0.116 4.225 4.340 0.001 0.000 0.205 302 L C 3.142 180.026 176.870 0.023 0.000 1.073 302 L CA 0.996 55.852 54.840 0.026 0.000 0.745 302 L CB -0.569 41.510 42.059 0.032 0.000 0.900 302 L HN 0.415 nan 8.230 nan 0.000 0.435 303 A N -0.245 122.586 122.820 0.018 0.000 1.884 303 A HA -0.234 4.086 4.320 0.001 0.000 0.219 303 A C 2.289 179.888 177.584 0.025 0.000 1.197 303 A CA 2.332 54.380 52.037 0.019 0.000 0.637 303 A CB -1.108 17.904 19.000 0.020 0.000 0.827 303 A HN 0.229 nan 8.150 nan 0.000 0.450 304 V N -0.488 119.443 119.914 0.029 0.000 2.407 304 V HA -0.233 3.887 4.120 0.001 0.000 0.248 304 V C 2.964 179.077 176.094 0.032 0.000 1.055 304 V CA 1.992 64.313 62.300 0.035 0.000 1.049 304 V CB -1.014 30.834 31.823 0.041 0.000 0.662 304 V HN 0.657 nan 8.190 nan 0.000 0.455 305 A N -0.645 122.192 122.820 0.029 0.000 2.016 305 A HA 0.115 4.435 4.320 0.001 0.000 0.217 305 A C 2.322 179.920 177.584 0.022 0.000 1.162 305 A CA 1.594 53.646 52.037 0.024 0.000 0.662 305 A CB -0.408 18.609 19.000 0.027 0.000 0.812 305 A HN 0.529 nan 8.150 nan 0.000 0.450 306 A N 0.097 122.933 122.820 0.028 0.000 1.855 306 A HA 0.243 4.564 4.320 0.001 0.000 0.213 306 A C 1.014 178.631 177.584 0.055 0.000 1.195 306 A CA 0.360 52.418 52.037 0.036 0.000 0.610 306 A CB -0.467 18.545 19.000 0.021 0.000 0.837 306 A HN 0.410 nan 8.150 nan 0.000 0.444 307 I N 1.541 122.137 120.570 0.044 0.000 2.662 307 I HA 0.065 4.236 4.170 0.001 0.000 0.285 307 I C -2.156 173.990 176.117 0.048 0.000 1.161 307 I CA -1.208 60.126 61.300 0.056 0.000 1.415 307 I CB 0.790 38.814 38.000 0.039 0.000 1.385 307 I HN 0.132 nan 8.210 nan 0.000 0.552 308 P HA 0.067 nan 4.420 nan 0.000 0.212 308 P C -0.226 177.079 177.300 0.009 0.000 1.816 308 P CA -0.508 62.604 63.100 0.019 0.000 0.944 308 P CB -0.276 31.435 31.700 0.018 0.000 1.896 309 E N 0.511 120.717 120.200 0.009 0.000 2.516 309 E HA -0.095 4.256 4.350 0.001 0.000 0.270 309 E C 1.125 177.709 176.600 -0.027 0.000 1.130 309 E CA 1.016 57.416 56.400 -0.001 0.000 1.023 309 E CB -0.548 29.156 29.700 0.007 0.000 1.004 309 E HN 0.359 nan 8.360 nan 0.000 0.463 310 G N 1.216 109.993 108.800 -0.037 0.000 2.304 310 G HA2 -0.372 3.588 3.960 0.001 0.000 0.252 310 G HA3 -0.372 3.588 3.960 0.001 0.000 0.252 310 G C 0.849 175.712 174.900 -0.061 0.000 1.014 310 G CA 0.444 45.504 45.100 -0.067 0.000 0.619 310 G HN 0.518 nan 8.290 nan 0.000 0.525 311 L N 1.276 122.483 121.223 -0.027 0.000 1.989 311 L HA -0.047 4.293 4.340 0.001 0.000 0.211 311 L C 0.322 177.203 176.870 0.018 0.000 1.071 311 L CA 2.918 57.763 54.840 0.009 0.000 0.749 311 L CB -1.116 40.967 42.059 0.040 0.000 0.890 311 L HN 0.249 nan 8.230 nan 0.000 0.431 312 P HA -0.188 nan 4.420 nan 0.000 0.217 312 P C 1.237 178.539 177.300 0.004 0.000 1.148 312 P CA 1.968 65.080 63.100 0.019 0.000 0.834 312 P CB -0.061 31.641 31.700 0.003 0.000 0.783 313 A N -0.891 121.909 122.820 -0.033 0.000 1.898 313 A HA -0.076 4.244 4.320 0.001 0.000 0.214 313 A C 2.336 179.862 177.584 -0.097 0.000 1.183 313 A CA 1.368 53.369 52.037 -0.060 0.000 0.622 313 A CB -1.551 17.399 19.000 -0.084 0.000 0.824 313 A HN 0.150 nan 8.150 nan 0.000 0.444 314 V N 0.258 120.081 119.914 -0.152 0.000 2.427 314 V HA -0.192 3.928 4.120 0.001 0.000 0.248 314 V C 2.134 178.083 176.094 -0.243 0.000 1.051 314 V CA 2.006 64.126 62.300 -0.299 0.000 1.048 314 V CB -0.436 31.083 31.823 -0.506 0.000 0.666 314 V HN 0.543 nan 8.190 nan 0.000 0.456 315 I N 0.010 120.559 120.570 -0.035 0.000 2.110 315 I HA -0.218 3.952 4.170 0.001 0.000 0.236 315 I C 2.588 178.766 176.117 0.101 0.000 1.068 315 I CA 2.152 63.547 61.300 0.160 0.000 1.333 315 I CB -1.006 37.107 38.000 0.188 0.000 1.054 315 I HN 0.271 nan 8.210 nan 0.000 0.402 316 T N 0.332 114.932 114.554 0.075 0.000 2.685 316 T HA -0.230 4.121 4.350 0.001 0.000 0.268 316 T C 1.817 176.570 174.700 0.088 0.000 1.034 316 T CA 2.242 64.404 62.100 0.103 0.000 1.149 316 T CB -0.467 68.468 68.868 0.111 0.000 0.860 316 T HN 0.408 nan 8.240 nan 0.000 0.449 317 T N 0.689 115.249 114.554 0.011 0.000 2.777 317 T HA -0.122 4.228 4.350 0.001 0.000 0.266 317 T C 2.275 176.970 174.700 -0.009 0.000 1.040 317 T CA 1.176 63.257 62.100 -0.033 0.000 1.141 317 T CB -0.789 68.002 68.868 -0.130 0.000 0.868 317 T HN 0.565 nan 8.240 nan 0.000 0.444 318 C N 1.502 120.807 119.300 0.009 0.000 2.413 318 C HA -0.073 4.387 4.460 0.001 0.000 0.278 318 C C 2.507 177.571 174.990 0.124 0.000 1.224 318 C CA 0.562 59.639 59.018 0.098 0.000 1.732 318 C CB -1.452 26.430 27.740 0.237 0.000 2.050 318 C HN 0.370 nan 8.230 nan 0.000 0.463 319 L N 1.824 123.120 121.223 0.122 0.000 1.978 319 L HA -0.150 4.190 4.340 0.001 0.000 0.218 319 L C 2.951 179.874 176.870 0.088 0.000 1.075 319 L CA 2.712 57.611 54.840 0.099 0.000 0.767 319 L CB -1.655 40.459 42.059 0.091 0.000 0.890 319 L HN 0.502 nan 8.230 nan 0.000 0.434 320 A N -1.135 121.748 122.820 0.106 0.000 1.908 320 A HA -0.193 4.127 4.320 0.001 0.000 0.218 320 A C 2.354 179.993 177.584 0.093 0.000 1.181 320 A CA 1.836 53.946 52.037 0.122 0.000 0.627 320 A CB -0.778 18.334 19.000 0.187 0.000 0.818 320 A HN 0.434 nan 8.150 nan 0.000 0.445 321 L N -0.797 120.478 121.223 0.086 0.000 2.046 321 L HA -0.133 4.207 4.340 0.001 0.000 0.208 321 L C 2.885 179.810 176.870 0.092 0.000 1.077 321 L CA 1.105 56.005 54.840 0.099 0.000 0.747 321 L CB -0.965 41.186 42.059 0.154 0.000 0.896 321 L HN 0.493 nan 8.230 nan 0.000 0.432 322 G N -0.568 108.287 108.800 0.090 0.000 2.476 322 G HA2 -0.293 3.668 3.960 0.001 0.000 0.218 322 G HA3 -0.293 3.668 3.960 0.001 0.000 0.218 322 G C 1.551 176.474 174.900 0.038 0.000 1.164 322 G CA 1.471 46.608 45.100 0.061 0.000 0.768 322 G HN 0.295 nan 8.290 nan 0.000 0.560 323 T N 0.438 115.015 114.554 0.038 0.000 2.699 323 T HA -0.144 4.206 4.350 0.001 0.000 0.268 323 T C 2.469 177.183 174.700 0.023 0.000 1.036 323 T CA 1.446 63.559 62.100 0.022 0.000 1.147 323 T CB -0.168 68.710 68.868 0.018 0.000 0.862 323 T HN 0.283 nan 8.240 nan 0.000 0.446 324 R N 0.380 120.903 120.500 0.038 0.000 2.092 324 R HA 0.043 4.383 4.340 0.001 0.000 0.231 324 R C 2.776 179.089 176.300 0.021 0.000 1.119 324 R CA 1.101 57.221 56.100 0.033 0.000 0.970 324 R CB -0.134 30.193 30.300 0.044 0.000 0.864 324 R HN 0.356 nan 8.270 nan 0.000 0.440 325 R N -0.282 120.228 120.500 0.017 0.000 2.081 325 R HA -0.036 4.305 4.340 0.001 0.000 0.235 325 R C 2.204 178.503 176.300 -0.002 0.000 1.131 325 R CA 1.235 57.336 56.100 0.001 0.000 0.960 325 R CB -0.130 30.164 30.300 -0.010 0.000 0.856 325 R HN 0.104 nan 8.270 nan 0.000 0.436 326 M N 0.081 119.681 119.600 -0.001 0.000 2.229 326 M HA -0.014 4.466 4.480 0.001 0.000 0.264 326 M C 2.326 178.622 176.300 -0.007 0.000 1.063 326 M CA 1.225 56.520 55.300 -0.008 0.000 1.114 326 M CB -0.906 31.687 32.600 -0.012 0.000 1.387 326 M HN 0.184 nan 8.290 nan 0.000 0.420 327 A N 0.127 122.947 122.820 -0.001 0.000 2.019 327 A HA -0.160 4.161 4.320 0.001 0.000 0.219 327 A C 2.228 179.813 177.584 0.001 0.000 1.164 327 A CA 1.417 53.454 52.037 0.000 0.000 0.644 327 A CB -0.506 18.498 19.000 0.007 0.000 0.805 327 A HN 0.491 nan 8.150 nan 0.000 0.449 328 K N -0.407 119.995 120.400 0.002 0.000 2.366 328 K HA 0.011 4.332 4.320 0.001 0.000 0.198 328 K C 1.262 177.862 176.600 0.001 0.000 1.044 328 K CA 0.803 57.092 56.287 0.003 0.000 0.973 328 K CB 0.015 32.518 32.500 0.004 0.000 0.767 328 K HN 0.363 nan 8.250 nan 0.000 0.475 329 K N 0.497 120.894 120.400 -0.004 0.000 2.444 329 K HA 0.059 4.380 4.320 0.001 0.000 0.193 329 K C -0.171 176.425 176.600 -0.007 0.000 1.024 329 K CA 0.055 56.338 56.287 -0.006 0.000 1.077 329 K CB 0.290 32.783 32.500 -0.011 0.000 0.833 329 K HN 0.079 nan 8.250 nan 0.000 0.517 330 N N -0.540 118.157 118.700 -0.006 0.000 2.937 330 N HA -0.132 4.609 4.740 0.001 0.000 0.248 330 N C -0.910 174.591 175.510 -0.015 0.000 1.069 330 N CA 0.936 53.983 53.050 -0.006 0.000 0.822 330 N CB -1.392 37.094 38.487 -0.002 0.000 1.122 330 N HN 0.269 nan 8.380 nan 0.000 0.554 331 A N 0.768 123.576 122.820 -0.020 0.000 2.260 331 A HA 0.632 4.952 4.320 0.001 0.000 0.312 331 A C 0.570 178.140 177.584 -0.024 0.000 1.321 331 A CA -0.396 51.624 52.037 -0.029 0.000 0.928 331 A CB 0.144 19.122 19.000 -0.037 0.000 1.158 331 A HN 0.265 nan 8.150 nan 0.000 0.542 332 I N 3.948 124.503 120.570 -0.024 0.000 2.294 332 I HA 0.135 4.306 4.170 0.001 0.000 0.295 332 I C -0.319 175.778 176.117 -0.033 0.000 1.098 332 I CA -0.324 60.962 61.300 -0.024 0.000 1.277 332 I CB 0.972 38.959 38.000 -0.021 0.000 1.434 332 I HN 0.303 nan 8.210 nan 0.000 0.498 333 V N 7.628 127.520 119.914 -0.036 0.000 2.461 333 V HA 0.226 4.347 4.120 0.001 0.000 0.275 333 V C 1.221 177.278 176.094 -0.063 0.000 1.047 333 V CA -0.369 61.904 62.300 -0.045 0.000 0.955 333 V CB 0.908 32.707 31.823 -0.040 0.000 0.988 333 V HN 0.733 nan 8.190 nan 0.000 0.471 334 R N 2.184 122.643 120.500 -0.068 0.000 2.334 334 R HA 0.241 4.582 4.340 0.001 0.000 0.212 334 R C 0.520 176.752 176.300 -0.114 0.000 0.897 334 R CA 0.110 56.158 56.100 -0.087 0.000 1.056 334 R CB 0.673 30.933 30.300 -0.066 0.000 1.046 334 R HN 0.556 nan 8.270 nan 0.000 0.513 335 S N 0.487 116.126 115.700 -0.101 0.000 2.736 335 S HA 0.213 4.683 4.470 0.001 0.000 0.285 335 S C 0.512 175.057 174.600 -0.091 0.000 1.163 335 S CA -0.578 57.558 58.200 -0.106 0.000 1.025 335 S CB 1.128 64.285 63.200 -0.072 0.000 1.030 335 S HN 0.018 nan 8.310 nan 0.000 0.486 336 L N 6.329 127.483 121.223 -0.116 0.000 1.990 336 L HA 0.044 4.384 4.340 0.001 0.000 0.213 336 L C -0.894 175.966 176.870 -0.017 0.000 1.072 336 L CA 2.212 57.012 54.840 -0.067 0.000 0.755 336 L CB -1.472 40.549 42.059 -0.063 0.000 0.889 336 L HN 0.517 nan 8.230 nan 0.000 0.432 337 P HA -0.104 nan 4.420 nan 0.000 0.218 337 P C 1.787 179.091 177.300 0.006 0.000 1.148 337 P CA 1.401 64.507 63.100 0.011 0.000 0.822 337 P CB -0.033 31.671 31.700 0.008 0.000 0.784 338 S N -0.586 115.107 115.700 -0.012 0.000 2.419 338 S HA -0.128 4.343 4.470 0.001 0.000 0.235 338 S C 1.971 176.564 174.600 -0.011 0.000 1.019 338 S CA 0.893 59.083 58.200 -0.016 0.000 0.982 338 S CB -1.363 61.819 63.200 -0.029 0.000 0.789 338 S HN 0.016 nan 8.310 nan 0.000 0.490 339 V N 1.643 121.554 119.914 -0.005 0.000 2.660 339 V HA -0.170 3.950 4.120 0.001 0.000 0.257 339 V C 2.358 178.459 176.094 0.012 0.000 1.088 339 V CA 2.050 64.350 62.300 0.001 0.000 1.106 339 V CB -0.233 31.597 31.823 0.011 0.000 0.686 339 V HN 0.552 nan 8.190 nan 0.000 0.481 340 E N -1.679 118.536 120.200 0.024 0.000 2.330 340 E HA -0.077 4.274 4.350 0.001 0.000 0.200 340 E C 2.132 178.746 176.600 0.024 0.000 0.922 340 E CA 0.901 57.327 56.400 0.044 0.000 0.935 340 E CB 0.278 30.024 29.700 0.077 0.000 0.917 340 E HN 0.487 nan 8.360 nan 0.000 0.491 341 T N 1.767 116.327 114.554 0.010 0.000 2.778 341 T HA -0.110 4.240 4.350 0.001 0.000 0.269 341 T C 1.856 176.539 174.700 -0.028 0.000 1.050 341 T CA 0.989 63.082 62.100 -0.010 0.000 1.137 341 T CB -0.212 68.650 68.868 -0.011 0.000 0.860 341 T HN 0.154 nan 8.240 nan 0.000 0.468 342 L N 0.163 121.371 121.223 -0.026 0.000 2.131 342 L HA -0.010 4.330 4.340 0.001 0.000 0.210 342 L C 2.710 179.556 176.870 -0.041 0.000 1.092 342 L CA 1.180 55.998 54.840 -0.037 0.000 0.759 342 L CB -0.679 41.356 42.059 -0.040 0.000 0.903 342 L HN 0.368 nan 8.230 nan 0.000 0.435 343 G N -0.636 108.143 108.800 -0.035 0.000 2.442 343 G HA2 -0.295 3.665 3.960 0.001 0.000 0.219 343 G HA3 -0.295 3.665 3.960 0.001 0.000 0.219 343 G C 1.271 176.121 174.900 -0.084 0.000 1.141 343 G CA 1.032 46.106 45.100 -0.044 0.000 0.763 343 G HN 0.595 nan 8.290 nan 0.000 0.554 344 C N 1.204 120.436 119.300 -0.113 0.000 2.673 344 C HA 0.324 4.784 4.460 0.001 0.000 0.274 344 C C 1.168 176.108 174.990 -0.084 0.000 1.276 344 C CA -1.171 57.763 59.018 -0.140 0.000 1.701 344 C CB -1.543 26.081 27.740 -0.193 0.000 1.836 344 C HN 0.177 nan 8.230 nan 0.000 0.596 345 T N 2.303 116.821 114.554 -0.060 0.000 2.928 345 T HA 0.186 4.536 4.350 0.001 0.000 0.305 345 T C 1.231 175.910 174.700 -0.035 0.000 1.035 345 T CA 0.966 63.042 62.100 -0.041 0.000 1.145 345 T CB 0.788 69.635 68.868 -0.036 0.000 0.963 345 T HN 0.717 nan 8.240 nan 0.000 0.545 346 S N 1.143 116.828 115.700 -0.024 0.000 2.554 346 S HA 0.297 4.768 4.470 0.001 0.000 0.227 346 S C 0.257 174.850 174.600 -0.011 0.000 1.050 346 S CA -0.390 57.798 58.200 -0.020 0.000 0.927 346 S CB 0.438 63.627 63.200 -0.018 0.000 0.859 346 S HN 0.410 nan 8.310 nan 0.000 0.494 347 V N 2.267 122.178 119.914 -0.005 0.000 2.638 347 V HA 0.538 4.659 4.120 0.001 0.000 0.306 347 V C -1.047 175.051 176.094 0.007 0.000 1.052 347 V CA -0.738 61.564 62.300 0.004 0.000 0.885 347 V CB 1.784 33.614 31.823 0.010 0.000 0.999 347 V HN 0.389 nan 8.190 nan 0.000 0.424 348 I N 3.601 124.181 120.570 0.016 0.000 2.382 348 I HA 0.364 4.535 4.170 0.001 0.000 0.285 348 I C -0.187 175.955 176.117 0.042 0.000 1.007 348 I CA -0.179 61.135 61.300 0.024 0.000 1.142 348 I CB 1.333 39.356 38.000 0.038 0.000 1.289 348 I HN 0.561 nan 8.210 nan 0.000 0.453 349 C N 3.956 123.275 119.300 0.032 0.000 2.536 349 C HA 0.507 4.967 4.460 0.001 0.000 0.396 349 C C 0.787 175.812 174.990 0.059 0.000 1.279 349 C CA -0.165 58.875 59.018 0.037 0.000 2.148 349 C CB 0.767 28.513 27.740 0.010 0.000 2.584 349 C HN 0.773 nan 8.230 nan 0.000 0.579 350 S N 0.798 116.538 115.700 0.067 0.000 2.575 350 S HA 0.333 4.804 4.470 0.001 0.000 0.278 350 S C -1.000 173.634 174.600 0.057 0.000 1.139 350 S CA -0.500 57.756 58.200 0.094 0.000 0.954 350 S CB 0.997 64.291 63.200 0.157 0.000 1.054 350 S HN 0.870 nan 8.310 nan 0.000 0.483 351 D N 2.664 123.098 120.400 0.056 0.000 2.400 351 D HA 0.162 4.802 4.640 0.001 0.000 0.238 351 D C 0.995 177.307 176.300 0.019 0.000 1.157 351 D CA 0.387 54.408 54.000 0.035 0.000 0.889 351 D CB 0.801 41.622 40.800 0.035 0.000 1.199 351 D HN 0.567 nan 8.370 nan 0.000 0.436 352 K N 0.820 121.219 120.400 -0.000 0.000 2.065 352 K HA 0.038 4.358 4.320 0.001 0.000 0.211 352 K C 0.115 176.702 176.600 -0.023 0.000 1.025 352 K CA 0.214 56.483 56.287 -0.029 0.000 0.948 352 K CB -0.290 32.192 32.500 -0.031 0.000 0.798 352 K HN 0.445 nan 8.250 nan 0.000 0.450 353 T N 1.010 115.557 114.554 -0.012 0.000 2.792 353 T HA 0.185 4.536 4.350 0.001 0.000 0.286 353 T C 0.633 175.334 174.700 0.001 0.000 0.970 353 T CA 0.917 63.012 62.100 -0.009 0.000 1.187 353 T CB 0.295 69.163 68.868 -0.001 0.000 0.915 353 T HN 0.713 nan 8.240 nan 0.000 0.529 354 G N 3.340 112.137 108.800 -0.005 0.000 2.179 354 G HA2 -0.304 3.656 3.960 0.001 0.000 0.260 354 G HA3 -0.304 3.656 3.960 0.001 0.000 0.260 354 G C 0.795 175.711 174.900 0.028 0.000 0.977 354 G CA 0.603 45.709 45.100 0.009 0.000 0.641 354 G HN 0.702 nan 8.290 nan 0.000 0.533 355 T N -0.160 114.411 114.554 0.028 0.000 3.478 355 T HA 0.307 4.658 4.350 0.001 0.000 0.223 355 T C 1.966 176.688 174.700 0.036 0.000 0.958 355 T CA 0.837 62.984 62.100 0.079 0.000 1.324 355 T CB -0.229 68.697 68.868 0.097 0.000 1.262 355 T HN 0.033 nan 8.240 nan 0.000 0.379 356 L N 2.152 123.328 121.223 -0.077 0.000 2.141 356 L HA 0.145 4.485 4.340 0.001 0.000 0.209 356 L C 1.571 178.336 176.870 -0.175 0.000 1.094 356 L CA 1.389 56.073 54.840 -0.260 0.000 0.763 356 L CB -1.232 40.673 42.059 -0.257 0.000 0.908 356 L HN 0.546 nan 8.230 nan 0.000 0.437 357 T N -5.939 108.556 114.554 -0.098 0.000 2.938 357 T HA 0.342 4.693 4.350 0.001 0.000 0.285 357 T C 1.095 175.760 174.700 -0.057 0.000 1.028 357 T CA 0.121 62.173 62.100 -0.081 0.000 1.005 357 T CB 1.396 70.222 68.868 -0.070 0.000 1.157 357 T HN 0.143 nan 8.240 nan 0.000 0.550 358 T N -1.694 112.818 114.554 -0.070 0.000 3.081 358 T HA 0.103 4.454 4.350 0.001 0.000 0.255 358 T C 1.007 175.661 174.700 -0.076 0.000 1.113 358 T CA 0.493 62.551 62.100 -0.070 0.000 1.082 358 T CB -0.740 68.067 68.868 -0.102 0.000 0.939 358 T HN 0.850 nan 8.240 nan 0.000 0.506 359 N N 1.850 120.508 118.700 -0.070 0.000 2.735 359 N HA -0.177 4.563 4.740 0.001 0.000 0.248 359 N C -1.073 174.372 175.510 -0.108 0.000 1.083 359 N CA 0.666 53.687 53.050 -0.050 0.000 0.703 359 N CB -1.474 37.012 38.487 -0.002 0.000 1.005 359 N HN 0.780 nan 8.380 nan 0.000 0.550 360 Q N -0.007 119.641 119.800 -0.253 0.000 2.414 360 Q HA 0.235 4.576 4.340 0.001 0.000 0.256 360 Q C -0.467 175.247 176.000 -0.476 0.000 0.974 360 Q CA -0.795 54.596 55.803 -0.686 0.000 0.723 360 Q CB 1.330 29.499 28.738 -0.948 0.000 1.281 360 Q HN 0.352 nan 8.270 nan 0.000 0.470 361 M N 2.175 121.653 119.600 -0.203 0.000 2.238 361 M HA 0.106 4.586 4.480 0.001 0.000 0.350 361 M C -0.863 175.436 176.300 -0.002 0.000 1.321 361 M CA 0.872 56.166 55.300 -0.010 0.000 1.097 361 M CB 0.526 33.201 32.600 0.124 0.000 1.713 361 M HN 0.355 nan 8.290 nan 0.000 0.455 362 S N 3.859 119.543 115.700 -0.028 0.000 2.594 362 S HA 0.538 5.009 4.470 0.001 0.000 0.296 362 S C -1.065 173.525 174.600 -0.018 0.000 1.124 362 S CA -0.940 57.243 58.200 -0.028 0.000 1.011 362 S CB 1.514 64.672 63.200 -0.071 0.000 1.016 362 S HN 0.546 nan 8.310 nan 0.000 0.485 363 V N 3.186 123.097 119.914 -0.005 0.000 2.479 363 V HA 0.068 4.189 4.120 0.001 0.000 0.281 363 V C 1.199 177.270 176.094 -0.039 0.000 1.031 363 V CA -0.074 62.217 62.300 -0.015 0.000 1.038 363 V CB 0.135 31.954 31.823 -0.006 0.000 0.981 363 V HN 1.205 nan 8.190 nan 0.000 0.478 364 C N 2.841 122.100 119.300 -0.068 0.000 3.580 364 C HA 0.511 4.972 4.460 0.001 0.000 0.337 364 C C 0.496 175.407 174.990 -0.131 0.000 1.412 364 C CA -0.586 58.378 59.018 -0.090 0.000 1.797 364 C CB -0.783 26.894 27.740 -0.104 0.000 2.470 364 C HN 0.738 nan 8.230 nan 0.000 0.691 365 K N 1.464 121.759 120.400 -0.174 0.000 2.502 365 K HA 0.741 5.062 4.320 0.001 0.000 0.257 365 K C -0.998 175.592 176.600 -0.016 0.000 0.938 365 K CA -0.269 55.862 56.287 -0.259 0.000 0.819 365 K CB 2.268 34.258 32.500 -0.850 0.000 1.333 365 K HN 0.585 nan 8.250 nan 0.000 0.434 366 M N 0.803 120.553 119.600 0.251 0.000 2.578 366 M HA 0.649 5.130 4.480 0.001 0.000 0.276 366 M C -1.637 175.066 176.300 0.673 0.000 1.245 366 M CA -0.996 54.558 55.300 0.424 0.000 0.871 366 M CB 1.998 34.697 32.600 0.164 0.000 1.722 366 M HN 0.573 nan 8.290 nan 0.000 0.473 367 F N 1.022 121.216 119.950 0.407 0.000 2.631 367 F HA 0.908 5.435 4.527 0.001 0.000 0.308 367 F C -1.528 174.371 175.800 0.166 0.000 1.097 367 F CA -1.069 57.103 58.000 0.286 0.000 0.952 367 F CB 1.364 40.460 39.000 0.160 0.000 1.307 367 F HN 0.830 nan 8.300 nan 0.000 0.450 368 I N 0.102 120.979 120.570 0.512 0.000 3.445 368 I HA 0.651 4.822 4.170 0.001 0.000 0.303 368 I C -1.186 175.150 176.117 0.364 0.000 1.129 368 I CA -1.435 60.076 61.300 0.353 0.000 0.989 368 I CB 2.016 40.127 38.000 0.185 0.000 1.314 368 I HN 0.433 nan 8.210 nan 0.000 0.488 369 I N 2.055 122.786 120.570 0.268 0.000 2.331 369 I HA 0.210 4.380 4.170 0.001 0.000 0.292 369 I C 0.341 176.521 176.117 0.105 0.000 0.998 369 I CA 0.141 61.542 61.300 0.168 0.000 1.267 369 I CB 0.606 38.710 38.000 0.173 0.000 1.386 369 I HN 0.776 nan 8.210 nan 0.000 0.476 370 D N 5.147 125.577 120.400 0.050 0.000 2.197 370 D HA 0.020 4.661 4.640 0.001 0.000 0.212 370 D C 0.463 176.797 176.300 0.056 0.000 0.963 370 D CA 1.222 55.258 54.000 0.060 0.000 0.864 370 D CB 0.654 41.474 40.800 0.033 0.000 1.009 370 D HN 0.635 nan 8.370 nan 0.000 0.479 371 K N -1.076 119.336 120.400 0.019 0.000 2.551 371 K HA 0.496 4.817 4.320 0.001 0.000 0.269 371 K C -1.957 174.626 176.600 -0.029 0.000 0.949 371 K CA -0.937 55.365 56.287 0.025 0.000 0.849 371 K CB 2.145 34.681 32.500 0.061 0.000 1.411 371 K HN -0.187 nan 8.250 nan 0.000 0.432 372 V N 2.103 122.014 119.914 -0.003 0.000 2.376 372 V HA 0.200 4.321 4.120 0.001 0.000 0.287 372 V C -1.239 174.870 176.094 0.025 0.000 1.015 372 V CA -0.489 61.793 62.300 -0.030 0.000 0.834 372 V CB 1.245 33.058 31.823 -0.016 0.000 1.001 372 V HN 0.869 nan 8.190 nan 0.000 0.428 373 D N 3.939 124.377 120.400 0.063 0.000 2.540 373 D HA 0.530 5.170 4.640 0.001 0.000 0.251 373 D C 1.045 177.402 176.300 0.094 0.000 1.159 373 D CA 1.134 55.197 54.000 0.106 0.000 0.974 373 D CB 0.640 41.547 40.800 0.178 0.000 0.996 373 D HN 0.722 nan 8.370 nan 0.000 0.512 374 G N 3.586 112.418 108.800 0.054 0.000 4.430 374 G HA2 -0.421 3.539 3.960 0.001 0.000 0.332 374 G HA3 -0.421 3.539 3.960 0.001 0.000 0.332 374 G C 1.031 175.950 174.900 0.032 0.000 1.338 374 G CA 0.607 45.732 45.100 0.041 0.000 1.024 374 G HN 0.502 nan 8.290 nan 0.000 0.750 375 D N -0.315 120.118 120.400 0.056 0.000 2.379 375 D HA 0.304 4.944 4.640 0.001 0.000 0.218 375 D C 0.886 177.226 176.300 0.067 0.000 1.006 375 D CA -0.009 54.018 54.000 0.044 0.000 0.893 375 D CB 0.155 40.983 40.800 0.046 0.000 1.019 375 D HN 0.233 nan 8.370 nan 0.000 0.503 376 F N 1.249 121.183 119.950 -0.027 0.000 2.389 376 F HA 0.333 4.860 4.527 0.001 0.000 0.337 376 F C -0.422 175.357 175.800 -0.035 0.000 1.112 376 F CA -0.986 56.993 58.000 -0.035 0.000 1.192 376 F CB 0.947 39.928 39.000 -0.031 0.000 1.185 376 F HN -0.115 nan 8.300 nan 0.000 0.552 377 C N 5.953 124.502 119.300 -1.252 0.000 2.522 377 C HA 0.557 5.017 4.460 0.001 0.000 0.344 377 C C -0.789 173.514 174.990 -1.145 0.000 1.104 377 C CA -0.504 58.004 59.018 -0.849 0.000 1.317 377 C CB -0.279 27.176 27.740 -0.476 0.000 1.896 377 C HN 0.870 nan 8.230 nan 0.000 0.443 378 S N 6.202 121.449 115.700 -0.755 0.000 2.438 378 S HA 0.678 5.148 4.470 0.001 0.000 0.293 378 S C -0.399 174.055 174.600 -0.245 0.000 1.141 378 S CA -0.470 57.473 58.200 -0.428 0.000 1.080 378 S CB 0.202 63.368 63.200 -0.057 0.000 0.978 378 S HN 0.735 nan 8.310 nan 0.000 0.479 379 L N 4.319 125.386 121.223 -0.261 0.000 2.357 379 L HA 0.507 4.848 4.340 0.001 0.000 0.273 379 L C 0.375 177.151 176.870 -0.157 0.000 1.080 379 L CA -0.926 53.763 54.840 -0.251 0.000 0.803 379 L CB 0.652 42.378 42.059 -0.556 0.000 1.174 379 L HN 0.548 nan 8.230 nan 0.000 0.443 380 N N 2.128 120.782 118.700 -0.077 0.000 2.546 380 N HA 0.187 4.927 4.740 0.001 0.000 0.238 380 N C -0.914 174.509 175.510 -0.145 0.000 0.984 380 N CA -0.235 52.712 53.050 -0.171 0.000 0.935 380 N CB 0.760 39.154 38.487 -0.155 0.000 1.122 380 N HN 0.582 nan 8.380 nan 0.000 0.510 381 E N 2.172 122.223 120.200 -0.248 0.000 2.231 381 E HA 0.386 4.737 4.350 0.001 0.000 0.277 381 E C -0.798 175.564 176.600 -0.397 0.000 0.999 381 E CA -0.391 55.993 56.400 -0.026 0.000 0.827 381 E CB 1.192 30.969 29.700 0.129 0.000 1.101 381 E HN 0.393 nan 8.360 nan 0.000 0.393 382 F N 0.292 120.313 119.950 0.118 0.000 2.603 382 F HA 0.347 4.875 4.527 0.001 0.000 0.317 382 F C 0.291 176.100 175.800 0.016 0.000 1.066 382 F CA -0.861 57.159 58.000 0.033 0.000 0.941 382 F CB 1.871 40.870 39.000 -0.002 0.000 1.291 382 F HN 0.308 nan 8.300 nan 0.000 0.472 383 S N 1.023 116.825 115.700 0.169 0.000 2.621 383 S HA 0.910 5.380 4.470 0.001 0.000 0.302 383 S C -1.126 173.508 174.600 0.056 0.000 1.093 383 S CA -0.615 57.615 58.200 0.051 0.000 1.017 383 S CB 1.849 65.044 63.200 -0.008 0.000 1.077 383 S HN 0.368 nan 8.310 nan 0.000 0.517 384 I N 1.696 122.268 120.570 0.004 0.000 2.545 384 I HA 0.486 4.657 4.170 0.001 0.000 0.292 384 I C 0.524 176.628 176.117 -0.023 0.000 1.040 384 I CA -0.303 60.994 61.300 -0.005 0.000 1.068 384 I CB 2.343 40.331 38.000 -0.019 0.000 1.251 384 I HN 0.964 nan 8.210 nan 0.000 0.424 385 T N 1.342 115.884 114.554 -0.019 0.000 2.936 385 T HA 0.930 5.281 4.350 0.001 0.000 0.282 385 T C 0.186 174.868 174.700 -0.031 0.000 1.003 385 T CA -0.326 61.759 62.100 -0.025 0.000 1.005 385 T CB 1.560 70.418 68.868 -0.017 0.000 1.097 385 T HN 1.490 nan 8.240 nan 0.000 0.532 386 G N -0.304 108.476 108.800 -0.033 0.000 2.650 386 G HA2 0.147 4.108 3.960 0.001 0.000 0.686 386 G HA3 0.147 4.108 3.960 0.001 0.000 0.686 386 G C -0.075 174.794 174.900 -0.052 0.000 1.205 386 G CA -0.219 44.858 45.100 -0.037 0.000 0.781 386 G HN 1.083 nan 8.290 nan 0.000 0.648 387 S N -0.433 115.231 115.700 -0.060 0.000 2.893 387 S HA 0.478 4.948 4.470 0.001 0.000 0.258 387 S C 0.818 175.344 174.600 -0.124 0.000 1.034 387 S CA 0.972 59.121 58.200 -0.084 0.000 1.167 387 S CB 0.625 63.784 63.200 -0.069 0.000 1.137 387 S HN 1.765 nan 8.310 nan 0.000 0.650 388 T N -1.908 112.578 114.554 -0.112 0.000 2.858 388 T HA 0.557 4.908 4.350 0.001 0.000 0.285 388 T C 0.205 174.825 174.700 -0.133 0.000 1.052 388 T CA -0.531 61.472 62.100 -0.162 0.000 1.009 388 T CB 0.504 69.349 68.868 -0.039 0.000 1.241 388 T HN -0.067 nan 8.240 nan 0.000 0.542 389 Y N 0.633 120.950 120.300 0.029 0.000 2.571 389 Y HA 0.438 4.989 4.550 0.001 0.000 0.294 389 Y C 1.929 177.782 175.900 -0.078 0.000 1.141 389 Y CA -0.177 57.927 58.100 0.007 0.000 1.308 389 Y CB -1.080 37.416 38.460 0.060 0.000 1.002 389 Y HN 0.850 nan 8.280 nan 0.000 0.551 390 A N 2.335 125.185 122.820 0.050 0.000 2.540 390 A HA 0.149 4.470 4.320 0.001 0.000 0.239 390 A C -2.002 175.398 177.584 -0.307 0.000 1.061 390 A CA -1.004 50.872 52.037 -0.270 0.000 0.758 390 A CB -0.292 18.744 19.000 0.059 0.000 0.991 390 A HN 0.056 nan 8.150 nan 0.000 0.502 391 P HA 0.247 nan 4.420 nan 0.000 0.225 391 P C -0.826 176.375 177.300 -0.165 0.000 1.813 391 P CA 0.324 63.267 63.100 -0.263 0.000 1.013 391 P CB -0.238 31.296 31.700 -0.277 0.000 1.961 392 E N 0.764 120.897 120.200 -0.111 0.000 2.218 392 E HA 0.692 5.042 4.350 0.001 0.000 0.263 392 E C 0.017 176.593 176.600 -0.040 0.000 0.879 392 E CA -0.738 55.628 56.400 -0.057 0.000 0.762 392 E CB 1.930 31.615 29.700 -0.025 0.000 1.166 392 E HN 0.340 nan 8.360 nan 0.000 0.415 393 G N 2.306 111.087 108.800 -0.031 0.000 2.353 393 G HA2 0.136 4.097 3.960 0.001 0.000 0.308 393 G HA3 0.136 4.097 3.960 0.001 0.000 0.308 393 G C -1.602 173.285 174.900 -0.021 0.000 1.418 393 G CA -0.934 44.152 45.100 -0.024 0.000 0.966 393 G HN 0.480 nan 8.290 nan 0.000 0.638 394 E N -1.246 118.947 120.200 -0.012 0.000 2.392 394 E HA 0.698 5.049 4.350 0.001 0.000 0.269 394 E C -1.016 175.586 176.600 0.004 0.000 0.924 394 E CA -1.120 55.278 56.400 -0.005 0.000 0.784 394 E CB 2.615 32.319 29.700 0.006 0.000 1.292 394 E HN 0.432 nan 8.360 nan 0.000 0.447 395 V N 2.159 122.079 119.914 0.010 0.000 2.461 395 V HA 0.272 4.392 4.120 0.001 0.000 0.275 395 V C -0.079 176.073 176.094 0.097 0.000 1.047 395 V CA -0.398 61.921 62.300 0.033 0.000 0.955 395 V CB 0.422 32.232 31.823 -0.022 0.000 0.988 395 V HN 0.460 nan 8.190 nan 0.000 0.471 396 L N 4.896 126.202 121.223 0.137 0.000 2.346 396 L HA 0.687 5.028 4.340 0.001 0.000 0.274 396 L C -0.119 176.868 176.870 0.195 0.000 1.007 396 L CA -0.805 54.118 54.840 0.139 0.000 0.818 396 L CB 1.929 44.031 42.059 0.071 0.000 1.284 396 L HN 0.382 nan 8.230 nan 0.000 0.424 397 K N 2.837 123.320 120.400 0.139 0.000 2.450 397 K HA 0.266 4.587 4.320 0.001 0.000 0.257 397 K C -0.495 176.101 176.600 -0.007 0.000 0.953 397 K CA -0.415 55.881 56.287 0.015 0.000 0.844 397 K CB 1.154 33.675 32.500 0.036 0.000 1.103 397 K HN 0.630 nan 8.250 nan 0.000 0.429 398 N N 3.450 122.124 118.700 -0.044 0.000 2.716 398 N HA -0.227 4.514 4.740 0.001 0.000 0.250 398 N C -0.774 174.736 175.510 0.000 0.000 1.033 398 N CA 1.372 54.409 53.050 -0.023 0.000 0.727 398 N CB -0.633 37.842 38.487 -0.020 0.000 0.950 398 N HN 0.779 nan 8.380 nan 0.000 0.541 399 D N -2.503 117.902 120.400 0.009 0.000 3.028 399 D HA -0.166 4.474 4.640 0.001 0.000 0.207 399 D C -0.165 176.149 176.300 0.024 0.000 1.100 399 D CA 1.341 55.349 54.000 0.013 0.000 0.995 399 D CB -0.848 39.954 40.800 0.004 0.000 1.108 399 D HN 0.614 nan 8.370 nan 0.000 0.421 400 K N 0.202 120.624 120.400 0.037 0.000 2.259 400 K HA 0.526 4.846 4.320 0.001 0.000 0.252 400 K C -2.657 173.983 176.600 0.067 0.000 0.936 400 K CA -1.793 54.521 56.287 0.045 0.000 0.810 400 K CB 2.212 34.737 32.500 0.042 0.000 1.143 400 K HN -0.182 nan 8.250 nan 0.000 0.427 401 P HA 0.104 nan 4.420 nan 0.000 0.271 401 P C -0.872 176.482 177.300 0.091 0.000 1.216 401 P CA -0.238 62.902 63.100 0.067 0.000 0.776 401 P CB 0.352 32.077 31.700 0.042 0.000 0.881 402 I N -1.252 119.389 120.570 0.119 0.000 3.174 402 I HA 0.618 4.789 4.170 0.001 0.000 0.313 402 I C -0.580 175.601 176.117 0.106 0.000 1.155 402 I CA -1.430 59.961 61.300 0.152 0.000 0.977 402 I CB 1.964 40.145 38.000 0.302 0.000 1.248 402 I HN 0.002 nan 8.210 nan 0.000 0.453 403 R N 1.452 122.003 120.500 0.086 0.000 2.207 403 R HA 0.423 4.763 4.340 0.001 0.000 0.334 403 R C 0.476 176.792 176.300 0.026 0.000 1.013 403 R CA -0.373 55.740 56.100 0.021 0.000 0.858 403 R CB 1.492 31.781 30.300 -0.018 0.000 1.094 403 R HN 0.859 nan 8.270 nan 0.000 0.457 404 S N 1.959 117.645 115.700 -0.023 0.000 2.400 404 S HA -0.140 4.330 4.470 0.001 0.000 0.232 404 S C 1.885 176.449 174.600 -0.060 0.000 1.025 404 S CA 1.552 59.718 58.200 -0.056 0.000 0.993 404 S CB -0.003 63.099 63.200 -0.163 0.000 0.808 404 S HN 0.915 nan 8.310 nan 0.000 0.478 405 G N 1.223 109.946 108.800 -0.130 0.000 2.498 405 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 405 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 405 G C 1.280 176.073 174.900 -0.178 0.000 1.119 405 G CA 0.339 45.327 45.100 -0.186 0.000 0.766 405 G HN 0.350 nan 8.290 nan 0.000 0.552 406 Q N -0.355 119.307 119.800 -0.230 0.000 2.234 406 Q HA -0.052 4.289 4.340 0.001 0.000 0.206 406 Q C -0.051 175.607 176.000 -0.570 0.000 0.980 406 Q CA 0.744 56.272 55.803 -0.458 0.000 0.869 406 Q CB -0.149 28.143 28.738 -0.743 0.000 0.912 406 Q HN 0.551 nan 8.270 nan 0.000 0.436 407 F N 0.396 120.321 119.950 -0.042 0.000 2.402 407 F HA 0.230 4.757 4.527 0.001 0.000 0.355 407 F C 1.124 176.893 175.800 -0.052 0.000 1.123 407 F CA -0.952 57.043 58.000 -0.010 0.000 1.021 407 F CB 1.218 40.247 39.000 0.048 0.000 1.160 407 F HN -0.185 nan 8.300 nan 0.000 0.451 408 D N 2.601 123.067 120.400 0.109 0.000 2.149 408 D HA -0.147 4.494 4.640 0.001 0.000 0.198 408 D C 2.194 178.516 176.300 0.036 0.000 0.990 408 D CA 1.578 55.603 54.000 0.042 0.000 0.839 408 D CB 0.011 40.838 40.800 0.045 0.000 0.948 408 D HN 0.847 nan 8.370 nan 0.000 0.460 409 G N 0.878 109.730 108.800 0.087 0.000 2.422 409 G HA2 -0.166 3.795 3.960 0.001 0.000 0.218 409 G HA3 -0.166 3.795 3.960 0.001 0.000 0.218 409 G C 1.833 176.722 174.900 -0.019 0.000 1.140 409 G CA 0.091 45.218 45.100 0.045 0.000 0.775 409 G HN 0.227 nan 8.290 nan 0.000 0.545 410 L N 0.242 121.454 121.223 -0.018 0.000 2.109 410 L HA -0.039 4.301 4.340 0.001 0.000 0.207 410 L C 2.953 179.726 176.870 -0.161 0.000 1.086 410 L CA 0.261 55.024 54.840 -0.127 0.000 0.760 410 L CB -0.403 41.540 42.059 -0.193 0.000 0.910 410 L HN 0.072 nan 8.230 nan 0.000 0.437 411 V N 0.080 119.899 119.914 -0.158 0.000 2.332 411 V HA -0.320 3.801 4.120 0.001 0.000 0.248 411 V C 2.451 178.438 176.094 -0.179 0.000 1.055 411 V CA 2.069 64.222 62.300 -0.246 0.000 1.038 411 V CB -0.421 31.253 31.823 -0.249 0.000 0.651 411 V HN 0.496 nan 8.190 nan 0.000 0.450 412 E N -0.222 119.905 120.200 -0.121 0.000 2.072 412 E HA -0.206 4.144 4.350 0.001 0.000 0.190 412 E C 2.250 178.743 176.600 -0.179 0.000 0.982 412 E CA 1.128 57.455 56.400 -0.122 0.000 0.803 412 E CB -0.090 29.576 29.700 -0.056 0.000 0.755 412 E HN 0.562 nan 8.360 nan 0.000 0.453 413 L N 0.464 121.590 121.223 -0.163 0.000 2.012 413 L HA -0.205 4.136 4.340 0.001 0.000 0.210 413 L C 2.422 179.180 176.870 -0.186 0.000 1.073 413 L CA 1.798 56.532 54.840 -0.177 0.000 0.748 413 L CB -0.351 41.611 42.059 -0.162 0.000 0.891 413 L HN 0.196 nan 8.230 nan 0.000 0.431 414 A N -1.136 121.574 122.820 -0.185 0.000 1.908 414 A HA -0.229 4.091 4.320 0.001 0.000 0.218 414 A C 2.246 179.718 177.584 -0.187 0.000 1.181 414 A CA 2.403 54.337 52.037 -0.171 0.000 0.627 414 A CB -1.148 17.743 19.000 -0.181 0.000 0.818 414 A HN 0.532 nan 8.150 nan 0.000 0.445 415 T N 0.266 114.678 114.554 -0.237 0.000 2.708 415 T HA -0.090 4.261 4.350 0.001 0.000 0.266 415 T C 1.801 176.201 174.700 -0.500 0.000 1.037 415 T CA 1.576 63.478 62.100 -0.330 0.000 1.146 415 T CB -0.404 68.231 68.868 -0.388 0.000 0.865 415 T HN 0.441 nan 8.240 nan 0.000 0.435 416 I N 0.654 120.913 120.570 -0.518 0.000 2.226 416 I HA -0.175 3.996 4.170 0.001 0.000 0.245 416 I C 2.663 178.656 176.117 -0.206 0.000 1.100 416 I CA 0.755 61.803 61.300 -0.420 0.000 1.374 416 I CB -0.473 37.384 38.000 -0.237 0.000 1.057 416 I HN 0.317 nan 8.210 nan 0.000 0.413 417 C N 0.762 119.962 119.300 -0.166 0.000 2.413 417 C HA -0.161 4.300 4.460 0.001 0.000 0.277 417 C C 3.158 178.095 174.990 -0.088 0.000 1.265 417 C CA 1.108 60.064 59.018 -0.103 0.000 1.752 417 C CB -1.212 26.471 27.740 -0.095 0.000 1.998 417 C HN 0.607 nan 8.230 nan 0.000 0.489 418 A N -0.302 122.450 122.820 -0.113 0.000 1.898 418 A HA 0.055 4.375 4.320 0.001 0.000 0.214 418 A C 2.048 179.592 177.584 -0.067 0.000 1.183 418 A CA 1.184 53.173 52.037 -0.079 0.000 0.622 418 A CB -0.372 18.583 19.000 -0.076 0.000 0.824 418 A HN 0.582 nan 8.150 nan 0.000 0.444 419 L N -1.527 119.635 121.223 -0.101 0.000 2.202 419 L HA 0.045 4.386 4.340 0.001 0.000 0.205 419 L C 1.345 178.220 176.870 0.008 0.000 1.083 419 L CA 0.161 54.975 54.840 -0.043 0.000 0.790 419 L CB -0.055 41.978 42.059 -0.044 0.000 0.942 419 L HN 0.427 nan 8.230 nan 0.000 0.452 420 C N 2.612 121.912 119.300 0.000 0.000 2.615 420 C HA 0.380 4.840 4.460 0.001 0.000 0.503 420 C C 0.071 175.081 174.990 0.033 0.000 1.039 420 C CA -0.327 58.719 59.018 0.046 0.000 1.226 420 C CB -2.240 25.541 27.740 0.069 0.000 1.447 420 C HN 0.414 nan 8.230 nan 0.000 0.572 421 N N 2.039 120.757 118.700 0.031 0.000 2.666 421 N HA 0.177 4.917 4.740 0.001 0.000 0.260 421 N C -0.732 174.791 175.510 0.021 0.000 1.077 421 N CA -0.198 52.863 53.050 0.019 0.000 1.026 421 N CB 1.341 39.826 38.487 -0.003 0.000 1.653 421 N HN 0.430 nan 8.380 nan 0.000 0.533 422 D N 0.525 120.938 120.400 0.021 0.000 2.395 422 D HA 0.214 4.854 4.640 0.001 0.000 0.213 422 D C -0.065 176.238 176.300 0.005 0.000 1.110 422 D CA 0.320 54.333 54.000 0.021 0.000 0.835 422 D CB 0.682 41.501 40.800 0.032 0.000 0.965 422 D HN 0.306 nan 8.370 nan 0.000 0.505 423 S N -0.456 115.239 115.700 -0.008 0.000 2.768 423 S HA 0.735 5.206 4.470 0.001 0.000 0.300 423 S C 0.395 174.978 174.600 -0.027 0.000 1.122 423 S CA -0.517 57.668 58.200 -0.026 0.000 0.995 423 S CB 1.985 65.156 63.200 -0.049 0.000 1.195 423 S HN 0.261 nan 8.310 nan 0.000 0.547 424 S N -0.663 115.013 115.700 -0.042 0.000 2.873 424 S HA 0.775 5.245 4.470 0.001 0.000 0.303 424 S C -1.916 172.655 174.600 -0.049 0.000 1.222 424 S CA -0.654 57.528 58.200 -0.031 0.000 0.923 424 S CB 0.706 63.902 63.200 -0.006 0.000 1.286 424 S HN 0.494 nan 8.310 nan 0.000 0.571 425 L N 1.176 122.396 121.223 -0.006 0.000 2.393 425 L HA 0.905 5.246 4.340 0.001 0.000 0.260 425 L C -2.022 174.908 176.870 0.100 0.000 1.002 425 L CA 0.007 54.863 54.840 0.026 0.000 0.818 425 L CB 2.034 44.119 42.059 0.044 0.000 1.369 425 L HN 1.082 nan 8.230 nan 0.000 0.412 426 D N 1.658 122.149 120.400 0.152 0.000 2.947 426 D HA 0.293 4.933 4.640 0.001 0.000 0.224 426 D C -1.876 174.539 176.300 0.192 0.000 1.230 426 D CA -0.259 53.829 54.000 0.146 0.000 0.871 426 D CB 1.265 42.098 40.800 0.054 0.000 1.671 426 D HN 0.299 nan 8.370 nan 0.000 0.507 427 F N 3.962 123.911 119.950 -0.001 0.000 2.371 427 F HA 0.401 4.929 4.527 0.001 0.000 0.363 427 F C -0.061 175.658 175.800 -0.136 0.000 1.122 427 F CA -0.848 57.032 58.000 -0.201 0.000 1.129 427 F CB 0.638 39.402 39.000 -0.394 0.000 1.173 427 F HN 0.285 nan 8.300 nan 0.000 0.489 428 N N 5.472 123.735 118.700 -0.729 0.000 2.399 428 N HA -0.012 4.728 4.740 0.001 0.000 0.259 428 N C 0.879 175.892 175.510 -0.829 0.000 1.160 428 N CA 0.450 53.158 53.050 -0.570 0.000 0.946 428 N CB 0.483 38.745 38.487 -0.374 0.000 1.156 428 N HN 0.810 nan 8.380 nan 0.000 0.489 429 E N 1.542 121.484 120.200 -0.431 0.000 2.150 429 E HA -0.117 4.234 4.350 0.001 0.000 0.193 429 E C 0.881 177.377 176.600 -0.174 0.000 0.985 429 E CA 1.240 57.512 56.400 -0.213 0.000 0.814 429 E CB 0.334 30.035 29.700 0.003 0.000 0.752 429 E HN 0.630 nan 8.360 nan 0.000 0.466 430 T N 1.148 115.601 114.554 -0.169 0.000 2.701 430 T HA -0.091 4.260 4.350 0.001 0.000 0.263 430 T C 1.647 176.269 174.700 -0.130 0.000 1.040 430 T CA 0.968 63.000 62.100 -0.114 0.000 1.147 430 T CB -0.019 68.797 68.868 -0.087 0.000 0.865 430 T HN 0.089 nan 8.240 nan 0.000 0.426 431 K N 0.522 120.810 120.400 -0.187 0.000 2.365 431 K HA 0.211 4.532 4.320 0.001 0.000 0.197 431 K C 1.515 178.012 176.600 -0.172 0.000 1.042 431 K CA 0.560 56.755 56.287 -0.153 0.000 0.987 431 K CB 0.121 32.539 32.500 -0.138 0.000 0.779 431 K HN 0.442 nan 8.250 nan 0.000 0.484 432 G N 1.978 110.591 108.800 -0.311 0.000 2.176 432 G HA2 -0.244 3.716 3.960 0.001 0.000 0.252 432 G HA3 -0.244 3.716 3.960 0.001 0.000 0.252 432 G C 0.082 174.881 174.900 -0.169 0.000 1.024 432 G CA 0.425 45.404 45.100 -0.202 0.000 0.755 432 G HN 0.273 nan 8.290 nan 0.000 0.507 433 V N -4.136 115.514 119.914 -0.439 0.000 3.078 433 V HA 0.832 4.952 4.120 0.001 0.000 0.311 433 V C 0.016 175.960 176.094 -0.249 0.000 1.138 433 V CA -2.549 59.674 62.300 -0.129 0.000 1.007 433 V CB 1.330 33.159 31.823 0.010 0.000 1.045 433 V HN 0.295 nan 8.190 nan 0.000 0.432 434 Y N 0.846 121.266 120.300 0.200 0.000 2.346 434 Y HA 0.576 5.126 4.550 0.001 0.000 0.330 434 Y C 0.792 176.773 175.900 0.136 0.000 1.178 434 Y CA 0.357 58.586 58.100 0.214 0.000 1.331 434 Y CB 0.796 39.415 38.460 0.265 0.000 1.253 434 Y HN 0.707 nan 8.280 nan 0.000 0.529 435 E N 2.119 122.448 120.200 0.214 0.000 2.343 435 E HA 0.290 4.641 4.350 0.001 0.000 0.270 435 E C -1.115 175.482 176.600 -0.006 0.000 0.895 435 E CA -1.406 55.074 56.400 0.133 0.000 0.767 435 E CB 2.093 31.817 29.700 0.040 0.000 1.248 435 E HN 0.492 nan 8.360 nan 0.000 0.440 436 K N -0.144 120.136 120.400 -0.201 0.000 2.180 436 K HA 0.403 4.724 4.320 0.001 0.000 0.251 436 K C -0.615 175.895 176.600 -0.150 0.000 1.014 436 K CA -0.489 55.578 56.287 -0.367 0.000 0.913 436 K CB 0.714 32.833 32.500 -0.636 0.000 1.008 436 K HN 0.156 nan 8.250 nan 0.000 0.490 437 V N 1.526 121.364 119.914 -0.127 0.000 2.398 437 V HA 0.518 4.639 4.120 0.001 0.000 0.282 437 V C 0.275 176.330 176.094 -0.066 0.000 1.014 437 V CA 0.211 62.472 62.300 -0.065 0.000 0.838 437 V CB 0.134 31.936 31.823 -0.035 0.000 1.018 437 V HN 1.219 nan 8.190 nan 0.000 0.432 438 G N 4.534 113.303 108.800 -0.052 0.000 2.428 438 G HA2 -0.083 3.877 3.960 0.001 0.000 0.202 438 G HA3 -0.083 3.877 3.960 0.001 0.000 0.202 438 G C -0.643 174.227 174.900 -0.050 0.000 1.247 438 G CA -0.662 44.413 45.100 -0.041 0.000 1.020 438 G HN 0.603 nan 8.290 nan 0.000 0.529 439 E N 0.743 120.919 120.200 -0.040 0.000 2.338 439 E HA 0.461 4.811 4.350 0.001 0.000 0.272 439 E C 1.498 178.076 176.600 -0.038 0.000 1.029 439 E CA 0.037 56.419 56.400 -0.030 0.000 0.872 439 E CB 1.486 31.169 29.700 -0.029 0.000 1.015 439 E HN 1.013 nan 8.360 nan 0.000 0.417 440 A N 3.262 126.084 122.820 0.004 0.000 1.892 440 A HA -0.238 4.082 4.320 0.001 0.000 0.218 440 A C 2.211 179.845 177.584 0.083 0.000 1.188 440 A CA 2.511 54.594 52.037 0.075 0.000 0.631 440 A CB -1.039 18.053 19.000 0.155 0.000 0.822 440 A HN 0.750 nan 8.150 nan 0.000 0.447 441 T N -2.524 112.059 114.554 0.047 0.000 3.035 441 T HA 0.006 4.356 4.350 0.001 0.000 0.268 441 T C 1.479 176.195 174.700 0.027 0.000 1.109 441 T CA 1.282 63.408 62.100 0.044 0.000 1.119 441 T CB -0.127 68.754 68.868 0.022 0.000 0.900 441 T HN 0.642 nan 8.240 nan 0.000 0.503 442 E N 0.938 121.139 120.200 0.003 0.000 2.102 442 E HA -0.013 4.337 4.350 0.001 0.000 0.190 442 E C 2.252 178.837 176.600 -0.024 0.000 0.971 442 E CA 1.034 57.428 56.400 -0.009 0.000 0.821 442 E CB -0.162 29.528 29.700 -0.016 0.000 0.777 442 E HN 0.433 nan 8.360 nan 0.000 0.460 443 T N 1.318 115.833 114.554 -0.064 0.000 2.881 443 T HA -0.123 4.227 4.350 0.001 0.000 0.270 443 T C 1.951 176.643 174.700 -0.013 0.000 1.068 443 T CA 1.025 63.048 62.100 -0.128 0.000 1.131 443 T CB -0.129 68.502 68.868 -0.396 0.000 0.871 443 T HN 0.197 nan 8.240 nan 0.000 0.479 444 A N 1.296 124.169 122.820 0.088 0.000 1.933 444 A HA 0.009 4.330 4.320 0.001 0.000 0.218 444 A C 2.245 179.859 177.584 0.050 0.000 1.175 444 A CA 1.115 53.232 52.037 0.133 0.000 0.628 444 A CB -0.696 18.379 19.000 0.125 0.000 0.814 444 A HN 0.497 nan 8.150 nan 0.000 0.444 445 L N -1.003 120.231 121.223 0.018 0.000 2.056 445 L HA -0.133 4.207 4.340 0.001 0.000 0.207 445 L C 2.772 179.630 176.870 -0.020 0.000 1.078 445 L CA 1.667 56.502 54.840 -0.008 0.000 0.749 445 L CB -1.179 40.870 42.059 -0.015 0.000 0.901 445 L HN 0.315 nan 8.230 nan 0.000 0.433 446 T N -0.912 113.630 114.554 -0.020 0.000 2.665 446 T HA -0.212 4.138 4.350 0.001 0.000 0.268 446 T C 1.925 176.610 174.700 -0.025 0.000 1.035 446 T CA 2.100 64.184 62.100 -0.028 0.000 1.151 446 T CB -0.368 68.478 68.868 -0.036 0.000 0.862 446 T HN 0.324 nan 8.240 nan 0.000 0.438 447 T N 2.181 116.733 114.554 -0.004 0.000 2.746 447 T HA -0.048 4.303 4.350 0.001 0.000 0.267 447 T C 1.906 176.589 174.700 -0.028 0.000 1.039 447 T CA 0.955 63.051 62.100 -0.006 0.000 1.142 447 T CB -0.499 68.410 68.868 0.068 0.000 0.866 447 T HN 0.143 nan 8.240 nan 0.000 0.444 448 L N 1.317 122.528 121.223 -0.021 0.000 2.042 448 L HA -0.068 4.273 4.340 0.001 0.000 0.210 448 L C 2.401 179.236 176.870 -0.059 0.000 1.076 448 L CA 1.564 56.380 54.840 -0.040 0.000 0.749 448 L CB -0.736 41.300 42.059 -0.039 0.000 0.893 448 L HN 0.078 nan 8.230 nan 0.000 0.432 449 V N -0.182 119.697 119.914 -0.057 0.000 2.343 449 V HA -0.219 3.901 4.120 0.001 0.000 0.247 449 V C 2.626 178.686 176.094 -0.057 0.000 1.051 449 V CA 1.743 64.004 62.300 -0.065 0.000 1.036 449 V CB -0.699 31.091 31.823 -0.055 0.000 0.654 449 V HN 0.470 nan 8.190 nan 0.000 0.451 450 E N 0.351 120.519 120.200 -0.052 0.000 2.110 450 E HA -0.189 4.162 4.350 0.001 0.000 0.193 450 E C 2.202 178.766 176.600 -0.060 0.000 0.988 450 E CA 1.083 57.450 56.400 -0.055 0.000 0.804 450 E CB -0.215 29.441 29.700 -0.073 0.000 0.745 450 E HN 0.619 nan 8.360 nan 0.000 0.458 451 K N 0.020 120.382 120.400 -0.064 0.000 2.103 451 K HA 0.059 4.380 4.320 0.001 0.000 0.204 451 K C 2.302 178.865 176.600 -0.062 0.000 1.052 451 K CA 0.864 57.115 56.287 -0.060 0.000 0.945 451 K CB -0.092 32.375 32.500 -0.055 0.000 0.722 451 K HN 0.072 nan 8.250 nan 0.000 0.443 452 M N 0.681 120.234 119.600 -0.078 0.000 2.132 452 M HA -0.101 4.379 4.480 0.001 0.000 0.263 452 M C 0.449 176.691 176.300 -0.097 0.000 1.065 452 M CA 0.621 55.860 55.300 -0.102 0.000 1.122 452 M CB -0.400 32.118 32.600 -0.136 0.000 1.365 452 M HN 0.119 nan 8.290 nan 0.000 0.411 453 N N 0.865 119.516 118.700 -0.080 0.000 2.688 453 N HA -0.128 4.612 4.740 0.001 0.000 0.258 453 N C 0.434 175.881 175.510 -0.105 0.000 1.016 453 N CA 0.602 53.617 53.050 -0.058 0.000 0.747 453 N CB -0.645 37.822 38.487 -0.033 0.000 0.895 453 N HN 0.369 nan 8.380 nan 0.000 0.543 454 V N -2.689 117.099 119.914 -0.211 0.000 2.759 454 V HA -0.058 4.063 4.120 0.001 0.000 0.256 454 V C 1.635 177.427 176.094 -0.503 0.000 1.080 454 V CA 1.534 63.599 62.300 -0.391 0.000 1.101 454 V CB -0.743 30.745 31.823 -0.559 0.000 0.698 454 V HN 0.249 nan 8.190 nan 0.000 0.477 455 F N 1.304 121.228 119.950 -0.043 0.000 2.692 455 F HA 0.442 4.969 4.527 0.001 0.000 0.303 455 F C 1.178 176.959 175.800 -0.032 0.000 1.114 455 F CA -0.596 57.382 58.000 -0.037 0.000 1.361 455 F CB -0.884 38.094 39.000 -0.036 0.000 1.063 455 F HN 0.204 nan 8.300 nan 0.000 0.550 456 N N 0.175 118.910 118.700 0.059 0.000 2.708 456 N HA -0.182 4.558 4.740 0.001 0.000 0.249 456 N C -0.168 175.373 175.510 0.051 0.000 1.097 456 N CA 1.067 54.139 53.050 0.036 0.000 0.710 456 N CB -1.938 36.563 38.487 0.023 0.000 1.032 456 N HN 0.152 nan 8.380 nan 0.000 0.551 457 T N 0.889 115.485 114.554 0.070 0.000 2.902 457 T HA 0.007 4.357 4.350 0.001 0.000 0.301 457 T C 0.848 175.563 174.700 0.025 0.000 1.012 457 T CA -0.027 62.104 62.100 0.051 0.000 1.151 457 T CB 1.077 69.980 68.868 0.059 0.000 0.946 457 T HN 0.136 nan 8.240 nan 0.000 0.542 458 E N 2.581 122.790 120.200 0.016 0.000 2.265 458 E HA 0.167 4.518 4.350 0.001 0.000 0.272 458 E C 0.592 177.195 176.600 0.005 0.000 1.067 458 E CA -0.285 56.120 56.400 0.008 0.000 0.900 458 E CB 0.089 29.791 29.700 0.005 0.000 1.017 458 E HN 0.455 nan 8.360 nan 0.000 0.431 459 V N 1.877 121.792 119.914 0.002 0.000 3.432 459 V HA 0.302 4.422 4.120 0.001 0.000 0.298 459 V C 1.483 177.575 176.094 -0.005 0.000 1.464 459 V CA -0.064 62.235 62.300 -0.001 0.000 1.046 459 V CB 0.014 31.835 31.823 -0.003 0.000 0.887 459 V HN 0.484 nan 8.190 nan 0.000 0.441 460 R N 2.911 123.408 120.500 -0.005 0.000 2.189 460 R HA 0.029 4.370 4.340 0.001 0.000 0.218 460 R C 1.656 177.950 176.300 -0.009 0.000 1.074 460 R CA 1.546 57.642 56.100 -0.006 0.000 0.991 460 R CB -0.181 30.116 30.300 -0.005 0.000 0.883 460 R HN 0.815 nan 8.270 nan 0.000 0.457 461 N N 0.451 119.146 118.700 -0.008 0.000 2.230 461 N HA 0.007 4.747 4.740 0.001 0.000 0.202 461 N C -0.008 175.494 175.510 -0.013 0.000 1.119 461 N CA 0.039 53.083 53.050 -0.010 0.000 0.851 461 N CB 0.158 38.641 38.487 -0.007 0.000 0.990 461 N HN 0.075 nan 8.380 nan 0.000 0.497 462 L N 1.527 122.742 121.223 -0.013 0.000 2.417 462 L HA 0.189 4.529 4.340 0.001 0.000 0.268 462 L C 1.105 177.955 176.870 -0.034 0.000 1.158 462 L CA -0.735 54.095 54.840 -0.016 0.000 0.819 462 L CB 0.708 42.763 42.059 -0.006 0.000 1.112 462 L HN 0.112 nan 8.230 nan 0.000 0.458 463 S N 1.694 117.370 115.700 -0.040 0.000 2.569 463 S HA 0.042 4.513 4.470 0.001 0.000 0.274 463 S C 0.863 175.389 174.600 -0.125 0.000 1.353 463 S CA -0.356 57.798 58.200 -0.077 0.000 1.023 463 S CB 0.704 63.873 63.200 -0.052 0.000 0.876 463 S HN 0.644 nan 8.310 nan 0.000 0.540 464 K N 0.688 120.914 120.400 -0.289 0.000 2.147 464 K HA -0.073 4.248 4.320 0.001 0.000 0.205 464 K C 2.107 178.518 176.600 -0.315 0.000 1.049 464 K CA 1.320 57.316 56.287 -0.486 0.000 0.936 464 K CB -0.743 30.948 32.500 -1.349 0.000 0.722 464 K HN 0.662 nan 8.250 nan 0.000 0.446 465 V N 0.100 119.917 119.914 -0.161 0.000 2.427 465 V HA -0.203 3.917 4.120 0.001 0.000 0.248 465 V C 1.959 178.099 176.094 0.077 0.000 1.051 465 V CA 1.979 64.322 62.300 0.072 0.000 1.048 465 V CB -0.248 31.655 31.823 0.133 0.000 0.666 465 V HN 0.280 nan 8.190 nan 0.000 0.456 466 E N 0.350 120.569 120.200 0.033 0.000 2.208 466 E HA -0.213 4.137 4.350 0.001 0.000 0.193 466 E C 2.268 178.898 176.600 0.051 0.000 0.988 466 E CA 0.917 57.340 56.400 0.039 0.000 0.828 466 E CB -0.081 29.629 29.700 0.017 0.000 0.763 466 E HN 0.657 nan 8.360 nan 0.000 0.478 467 R N 0.564 121.100 120.500 0.061 0.000 2.148 467 R HA 0.031 4.371 4.340 0.001 0.000 0.223 467 R C 1.926 178.283 176.300 0.094 0.000 1.088 467 R CA 1.407 57.545 56.100 0.064 0.000 0.985 467 R CB -0.590 29.748 30.300 0.063 0.000 0.880 467 R HN 0.152 nan 8.270 nan 0.000 0.451 468 A N 0.725 123.667 122.820 0.203 0.000 1.927 468 A HA -0.190 4.131 4.320 0.001 0.000 0.220 468 A C 1.259 178.893 177.584 0.084 0.000 1.185 468 A CA 2.025 54.199 52.037 0.229 0.000 0.639 468 A CB -0.372 18.822 19.000 0.325 0.000 0.820 468 A HN 0.573 nan 8.150 nan 0.000 0.451 469 N N -1.900 116.838 118.700 0.064 0.000 2.305 469 N HA 0.340 5.081 4.740 0.001 0.000 0.248 469 N C 1.139 176.662 175.510 0.022 0.000 1.290 469 N CA 0.660 53.730 53.050 0.033 0.000 0.873 469 N CB 0.632 39.139 38.487 0.034 0.000 1.261 469 N HN 0.404 nan 8.380 nan 0.000 0.504 470 A N 0.515 123.348 122.820 0.021 0.000 1.851 470 A HA -0.162 4.159 4.320 0.001 0.000 0.216 470 A C 2.274 179.869 177.584 0.018 0.000 1.195 470 A CA 1.430 53.477 52.037 0.017 0.000 0.622 470 A CB -0.782 18.226 19.000 0.015 0.000 0.831 470 A HN 0.438 nan 8.150 nan 0.000 0.444 471 C N -0.144 119.165 119.300 0.016 0.000 2.446 471 C HA -0.011 4.450 4.460 0.001 0.000 0.279 471 C C 2.541 177.553 174.990 0.036 0.000 1.366 471 C CA 0.598 59.636 59.018 0.035 0.000 1.763 471 C CB -1.612 26.141 27.740 0.022 0.000 1.929 471 C HN 0.608 nan 8.230 nan 0.000 0.509 472 N N 1.372 120.080 118.700 0.012 0.000 2.142 472 N HA -0.098 4.643 4.740 0.001 0.000 0.186 472 N C 1.845 177.360 175.510 0.008 0.000 1.023 472 N CA 1.321 54.374 53.050 0.005 0.000 0.852 472 N CB -0.237 38.247 38.487 -0.005 0.000 0.998 472 N HN 0.443 nan 8.380 nan 0.000 0.424 473 S N 0.799 116.504 115.700 0.008 0.000 2.382 473 S HA -0.061 4.410 4.470 0.001 0.000 0.228 473 S C 2.263 176.858 174.600 -0.008 0.000 1.027 473 S CA 0.621 58.822 58.200 0.002 0.000 0.991 473 S CB -0.191 63.012 63.200 0.004 0.000 0.823 473 S HN 0.098 nan 8.310 nan 0.000 0.469 474 V N 1.725 121.639 119.914 -0.001 0.000 2.427 474 V HA -0.137 3.983 4.120 0.001 0.000 0.248 474 V C 1.979 178.038 176.094 -0.057 0.000 1.051 474 V CA 1.417 63.698 62.300 -0.032 0.000 1.048 474 V CB -0.586 31.241 31.823 0.007 0.000 0.666 474 V HN 0.442 nan 8.190 nan 0.000 0.456 475 I N -0.537 120.043 120.570 0.018 0.000 2.315 475 I HA -0.206 3.964 4.170 0.001 0.000 0.248 475 I C 2.645 178.750 176.117 -0.020 0.000 1.117 475 I CA 1.383 62.698 61.300 0.024 0.000 1.404 475 I CB -0.350 37.683 38.000 0.055 0.000 1.071 475 I HN 0.161 nan 8.210 nan 0.000 0.419 476 R N 0.265 120.755 120.500 -0.017 0.000 2.152 476 R HA -0.169 4.171 4.340 0.001 0.000 0.232 476 R C 2.119 178.404 176.300 -0.025 0.000 1.117 476 R CA 1.041 57.133 56.100 -0.014 0.000 0.981 476 R CB -0.172 30.123 30.300 -0.007 0.000 0.870 476 R HN 0.493 nan 8.270 nan 0.000 0.451 477 Q N -0.391 119.381 119.800 -0.048 0.000 2.378 477 Q HA -0.065 4.275 4.340 0.001 0.000 0.205 477 Q C 1.279 177.236 176.000 -0.073 0.000 0.954 477 Q CA 0.555 56.323 55.803 -0.059 0.000 0.901 477 Q CB 0.298 28.990 28.738 -0.077 0.000 0.981 477 Q HN 0.161 nan 8.270 nan 0.000 0.483 478 L N -0.795 120.377 121.223 -0.085 0.000 2.221 478 L HA 0.126 4.467 4.340 0.001 0.000 0.202 478 L C 0.531 177.386 176.870 -0.024 0.000 1.074 478 L CA 1.255 56.046 54.840 -0.081 0.000 0.795 478 L CB 0.176 42.163 42.059 -0.120 0.000 0.960 478 L HN 0.169 nan 8.230 nan 0.000 0.458 479 M N 0.241 119.843 119.600 0.002 0.000 2.253 479 M HA 0.271 4.752 4.480 0.001 0.000 0.314 479 M C -0.337 175.982 176.300 0.031 0.000 1.019 479 M CA -0.364 54.960 55.300 0.041 0.000 0.932 479 M CB 1.702 34.373 32.600 0.119 0.000 1.606 479 M HN -0.036 nan 8.290 nan 0.000 0.430 480 K N 2.892 123.306 120.400 0.024 0.000 2.248 480 K HA 0.249 4.570 4.320 0.001 0.000 0.281 480 K C -0.355 176.262 176.600 0.028 0.000 1.054 480 K CA -0.408 55.893 56.287 0.023 0.000 0.903 480 K CB 1.113 33.627 32.500 0.022 0.000 1.077 480 K HN 0.582 nan 8.250 nan 0.000 0.474 481 K N 3.609 124.026 120.400 0.030 0.000 2.383 481 K HA -0.036 4.285 4.320 0.001 0.000 0.286 481 K C 0.121 176.737 176.600 0.026 0.000 1.051 481 K CA 0.316 56.614 56.287 0.020 0.000 0.974 481 K CB 0.700 33.216 32.500 0.026 0.000 0.968 481 K HN 0.679 nan 8.250 nan 0.000 0.475 482 E N 3.238 123.440 120.200 0.004 0.000 2.251 482 E HA 0.104 4.454 4.350 0.001 0.000 0.194 482 E C -0.642 176.052 176.600 0.158 0.000 0.964 482 E CA 0.435 56.880 56.400 0.075 0.000 0.868 482 E CB 0.230 30.018 29.700 0.148 0.000 0.828 482 E HN 0.577 nan 8.360 nan 0.000 0.481 483 F N -3.229 116.755 119.950 0.056 0.000 2.807 483 F HA 0.485 5.012 4.527 0.001 0.000 0.316 483 F C -1.199 174.612 175.800 0.017 0.000 1.162 483 F CA -1.285 56.719 58.000 0.007 0.000 0.910 483 F CB 1.180 40.143 39.000 -0.061 0.000 1.314 483 F HN -0.462 nan 8.300 nan 0.000 0.454 484 T N 2.617 117.320 114.554 0.248 0.000 2.829 484 T HA 0.559 4.909 4.350 0.001 0.000 0.280 484 T C -0.591 174.180 174.700 0.118 0.000 0.999 484 T CA -0.637 61.539 62.100 0.126 0.000 0.983 484 T CB 1.534 70.467 68.868 0.108 0.000 0.968 484 T HN 0.618 nan 8.240 nan 0.000 0.446 485 L N 4.117 125.322 121.223 -0.030 0.000 2.328 485 L HA 0.300 4.641 4.340 0.001 0.000 0.280 485 L C 1.170 178.064 176.870 0.040 0.000 1.111 485 L CA -0.731 53.900 54.840 -0.347 0.000 0.909 485 L CB -0.172 41.553 42.059 -0.557 0.000 1.277 485 L HN 0.753 nan 8.230 nan 0.000 0.433 486 E N 2.201 122.538 120.200 0.228 0.000 2.422 486 E HA -0.025 4.325 4.350 0.001 0.000 0.260 486 E C -0.221 176.596 176.600 0.361 0.000 1.108 486 E CA -0.678 55.897 56.400 0.291 0.000 0.943 486 E CB 0.640 30.511 29.700 0.284 0.000 0.961 486 E HN 0.306 nan 8.360 nan 0.000 0.443 487 F N 2.315 122.367 119.950 0.170 0.000 2.629 487 F HA 0.031 4.559 4.527 0.001 0.000 0.377 487 F C -0.101 175.785 175.800 0.143 0.000 1.101 487 F CA 0.563 58.651 58.000 0.146 0.000 1.301 487 F CB 0.511 39.574 39.000 0.104 0.000 1.062 487 F HN 0.546 nan 8.300 nan 0.000 0.583 488 S N 5.602 121.098 115.700 -0.340 0.000 2.570 488 S HA 0.515 4.985 4.470 0.001 0.000 0.286 488 S C 0.558 174.901 174.600 -0.428 0.000 1.099 488 S CA -1.087 57.008 58.200 -0.176 0.000 0.913 488 S CB 2.145 65.284 63.200 -0.102 0.000 1.085 488 S HN 0.781 nan 8.310 nan 0.000 0.480 489 R N 0.863 121.326 120.500 -0.063 0.000 2.120 489 R HA -0.090 4.251 4.340 0.001 0.000 0.234 489 R C 1.597 177.856 176.300 -0.068 0.000 1.123 489 R CA 1.844 57.955 56.100 0.019 0.000 0.975 489 R CB -0.385 29.990 30.300 0.125 0.000 0.866 489 R HN 0.882 nan 8.270 nan 0.000 0.446 490 D N 0.819 121.163 120.400 -0.094 0.000 2.149 490 D HA -0.201 4.440 4.640 0.001 0.000 0.201 490 D C 1.692 177.933 176.300 -0.098 0.000 0.972 490 D CA 1.153 55.106 54.000 -0.078 0.000 0.835 490 D CB -0.166 40.590 40.800 -0.073 0.000 0.966 490 D HN 0.377 nan 8.370 nan 0.000 0.476 491 R N 0.386 120.790 120.500 -0.160 0.000 2.254 491 R HA 0.141 4.481 4.340 0.001 0.000 0.193 491 R C 0.520 176.714 176.300 -0.176 0.000 0.929 491 R CA -0.234 55.786 56.100 -0.133 0.000 1.038 491 R CB -0.214 30.031 30.300 -0.092 0.000 1.009 491 R HN -0.179 nan 8.270 nan 0.000 0.512 492 K N 1.828 121.998 120.400 -0.384 0.000 3.257 492 K HA -0.182 4.138 4.320 0.001 0.000 0.270 492 K C -0.960 175.547 176.600 -0.155 0.000 0.984 492 K CA 0.831 56.892 56.287 -0.377 0.000 0.739 492 K CB -1.421 31.085 32.500 0.010 0.000 1.351 492 K HN 0.692 nan 8.250 nan 0.000 0.463 493 S N -1.098 114.439 115.700 -0.271 0.000 2.643 493 S HA 0.820 5.290 4.470 0.001 0.000 0.270 493 S C -0.628 174.015 174.600 0.071 0.000 1.166 493 S CA -1.109 57.106 58.200 0.025 0.000 0.815 493 S CB 2.339 65.563 63.200 0.040 0.000 1.139 493 S HN 0.389 nan 8.310 nan 0.000 0.472 494 M N -0.126 119.572 119.600 0.164 0.000 2.622 494 M HA 0.885 5.366 4.480 0.001 0.000 0.276 494 M C -1.179 175.193 176.300 0.119 0.000 1.265 494 M CA -0.639 54.763 55.300 0.171 0.000 0.850 494 M CB 2.061 34.807 32.600 0.244 0.000 1.720 494 M HN 1.108 nan 8.290 nan 0.000 0.465 495 S N 0.277 116.028 115.700 0.086 0.000 2.596 495 S HA 0.893 5.363 4.470 0.001 0.000 0.270 495 S C -1.022 173.589 174.600 0.019 0.000 1.155 495 S CA -0.453 57.780 58.200 0.056 0.000 0.827 495 S CB 1.811 65.034 63.200 0.039 0.000 1.130 495 S HN 1.579 nan 8.310 nan 0.000 0.467 496 V N -0.632 119.280 119.914 -0.003 0.000 2.709 496 V HA 0.735 4.856 4.120 0.001 0.000 0.308 496 V C -1.348 174.629 176.094 -0.195 0.000 1.062 496 V CA -0.909 61.351 62.300 -0.068 0.000 0.901 496 V CB 1.173 33.009 31.823 0.021 0.000 1.003 496 V HN 1.022 nan 8.190 nan 0.000 0.425 497 Y N 3.388 123.330 120.300 -0.596 0.000 2.326 497 Y HA 0.749 5.300 4.550 0.001 0.000 0.337 497 Y C -0.176 175.421 175.900 -0.504 0.000 1.023 497 Y CA -0.519 57.139 58.100 -0.737 0.000 1.143 497 Y CB 1.138 38.669 38.460 -1.548 0.000 1.183 497 Y HN 0.989 nan 8.280 nan 0.000 0.485 498 C N 4.108 123.056 119.300 -0.586 0.000 2.626 498 C HA 0.706 5.166 4.460 0.001 0.000 0.310 498 C C -0.567 174.249 174.990 -0.290 0.000 1.191 498 C CA -0.980 57.878 59.018 -0.265 0.000 1.517 498 C CB 1.081 28.774 27.740 -0.077 0.000 2.102 498 C HN 0.896 nan 8.230 nan 0.000 0.479 499 S N 1.667 117.311 115.700 -0.094 0.000 2.537 499 S HA 0.716 5.186 4.470 0.001 0.000 0.301 499 S C -3.159 171.425 174.600 -0.028 0.000 1.092 499 S CA -1.361 56.800 58.200 -0.064 0.000 1.048 499 S CB 1.215 64.421 63.200 0.010 0.000 1.053 499 S HN 0.501 nan 8.310 nan 0.000 0.501 500 P HA 0.218 nan 4.420 nan 0.000 0.265 500 P C -0.246 177.049 177.300 -0.009 0.000 1.193 500 P CA 0.128 63.222 63.100 -0.011 0.000 0.765 500 P CB 0.168 31.858 31.700 -0.016 0.000 0.823 501 A N 4.076 126.890 122.820 -0.011 0.000 2.448 501 A HA 0.112 4.433 4.320 0.001 0.000 0.239 501 A C 0.386 177.961 177.584 -0.014 0.000 1.080 501 A CA -0.127 51.902 52.037 -0.013 0.000 0.779 501 A CB -0.095 18.891 19.000 -0.023 0.000 1.026 501 A HN 0.372 nan 8.150 nan 0.000 0.499 502 K N 1.582 121.975 120.400 -0.011 0.000 2.489 502 K HA 0.165 4.485 4.320 0.001 0.000 0.278 502 K C 0.659 177.250 176.600 -0.016 0.000 1.000 502 K CA 1.321 57.602 56.287 -0.010 0.000 1.012 502 K CB 0.182 32.678 32.500 -0.006 0.000 0.903 502 K HN 1.691 nan 8.250 nan 0.000 0.485 503 S N 0.546 116.237 115.700 -0.015 0.000 3.823 503 S HA -0.146 4.324 4.470 0.001 0.000 0.560 503 S C 0.734 175.320 174.600 -0.023 0.000 0.724 503 S CA 0.621 58.809 58.200 -0.019 0.000 1.394 503 S CB -1.736 61.451 63.200 -0.022 0.000 0.856 503 S HN 0.587 nan 8.310 nan 0.000 0.768 504 S N 3.472 119.161 115.700 -0.019 0.000 2.499 504 S HA -0.009 4.461 4.470 0.001 0.000 0.206 504 S C 1.673 176.259 174.600 -0.023 0.000 1.165 504 S CA 0.956 59.145 58.200 -0.019 0.000 1.503 504 S CB -0.470 62.722 63.200 -0.014 0.000 1.004 504 S HN 1.065 nan 8.310 nan 0.000 0.385 505 R N -0.361 120.129 120.500 -0.016 0.000 3.793 505 R HA -0.285 4.055 4.340 0.001 0.000 0.318 505 R C 1.576 177.871 176.300 -0.009 0.000 0.729 505 R CA 1.694 57.786 56.100 -0.014 0.000 1.731 505 R CB -2.571 27.717 30.300 -0.020 0.000 1.879 505 R HN 0.527 nan 8.270 nan 0.000 0.498 506 A N 1.130 123.942 122.820 -0.014 0.000 1.859 506 A HA 0.261 4.581 4.320 0.001 0.000 0.218 506 A C 0.991 178.582 177.584 0.012 0.000 1.209 506 A CA 3.054 55.090 52.037 -0.002 0.000 0.639 506 A CB -0.436 18.559 19.000 -0.008 0.000 0.835 506 A HN 1.670 nan 8.150 nan 0.000 0.450 507 A N -3.414 119.408 122.820 0.003 0.000 2.436 507 A HA 0.439 4.759 4.320 0.001 0.000 0.295 507 A C -0.468 177.108 177.584 -0.012 0.000 0.971 507 A CA 0.007 52.044 52.037 -0.000 0.000 0.803 507 A CB -0.506 18.499 19.000 0.009 0.000 1.045 507 A HN 1.597 nan 8.150 nan 0.000 0.363 508 V N 2.090 121.993 119.914 -0.017 0.000 3.051 508 V HA 0.681 4.802 4.120 0.001 0.000 0.306 508 V C 1.029 177.099 176.094 -0.039 0.000 1.083 508 V CA 2.058 64.343 62.300 -0.024 0.000 1.104 508 V CB 1.448 33.259 31.823 -0.019 0.000 1.027 508 V HN 2.977 nan 8.190 nan 0.000 0.483 509 G N 4.204 112.976 108.800 -0.046 0.000 2.719 509 G HA2 -0.159 3.801 3.960 0.001 0.000 0.686 509 G HA3 -0.159 3.801 3.960 0.001 0.000 0.686 509 G C -0.790 174.036 174.900 -0.122 0.000 1.201 509 G CA -0.324 44.734 45.100 -0.070 0.000 0.768 509 G HN 1.033 nan 8.290 nan 0.000 0.629 510 N N 0.981 119.583 118.700 -0.164 0.000 2.513 510 N HA 0.656 5.397 4.740 0.001 0.000 0.274 510 N C 0.126 175.352 175.510 -0.473 0.000 1.189 510 N CA -0.106 52.745 53.050 -0.332 0.000 0.975 510 N CB 1.089 39.364 38.487 -0.354 0.000 1.157 510 N HN 0.534 nan 8.380 nan 0.000 0.465 511 K N 1.075 121.053 120.400 -0.703 0.000 2.469 511 K HA 0.473 4.793 4.320 0.001 0.000 0.254 511 K C -0.602 175.400 176.600 -0.996 0.000 0.939 511 K CA -0.389 55.427 56.287 -0.784 0.000 0.812 511 K CB 2.168 34.118 32.500 -0.917 0.000 1.301 511 K HN 0.493 nan 8.250 nan 0.000 0.433 512 M N 2.201 121.325 119.600 -0.792 0.000 2.311 512 M HA 0.447 4.927 4.480 0.001 0.000 0.325 512 M C -1.084 174.889 176.300 -0.545 0.000 1.061 512 M CA -0.731 54.212 55.300 -0.594 0.000 0.957 512 M CB 0.993 33.432 32.600 -0.267 0.000 1.646 512 M HN 0.311 nan 8.290 nan 0.000 0.434 513 F N 2.310 122.192 119.950 -0.113 0.000 2.436 513 F HA 0.648 5.175 4.527 0.001 0.000 0.340 513 F C -0.187 175.587 175.800 -0.045 0.000 1.113 513 F CA -0.949 57.004 58.000 -0.078 0.000 1.022 513 F CB 1.401 40.353 39.000 -0.081 0.000 1.128 513 F HN 0.133 nan 8.300 nan 0.000 0.466 514 V N 3.504 123.512 119.914 0.157 0.000 2.656 514 V HA 0.588 4.708 4.120 0.001 0.000 0.307 514 V C -0.610 175.532 176.094 0.080 0.000 1.051 514 V CA -1.116 61.243 62.300 0.099 0.000 0.893 514 V CB 2.023 33.893 31.823 0.079 0.000 0.999 514 V HN 0.764 nan 8.190 nan 0.000 0.426 515 K N 2.584 123.036 120.400 0.087 0.000 2.435 515 K HA 0.985 5.305 4.320 0.001 0.000 0.251 515 K C -0.325 176.345 176.600 0.117 0.000 0.954 515 K CA -0.595 55.739 56.287 0.078 0.000 0.820 515 K CB 2.854 35.391 32.500 0.061 0.000 1.292 515 K HN 1.034 nan 8.250 nan 0.000 0.436 516 G N -0.042 108.829 108.800 0.118 0.000 2.320 516 G HA2 0.458 4.418 3.960 0.001 0.000 0.296 516 G HA3 0.458 4.418 3.960 0.001 0.000 0.296 516 G C -1.562 173.420 174.900 0.137 0.000 1.306 516 G CA -0.636 44.557 45.100 0.155 0.000 0.836 516 G HN 0.751 nan 8.290 nan 0.000 0.517 517 A N 0.615 123.525 122.820 0.151 0.000 2.546 517 A HA 0.545 4.866 4.320 0.001 0.000 0.243 517 A C -0.659 176.985 177.584 0.101 0.000 1.063 517 A CA 0.127 52.239 52.037 0.125 0.000 0.757 517 A CB 0.017 19.092 19.000 0.126 0.000 0.991 517 A HN 0.350 nan 8.150 nan 0.000 0.503 518 P HA -0.250 nan 4.420 nan 0.000 0.216 518 P C 1.448 178.789 177.300 0.069 0.000 1.157 518 P CA 1.853 65.007 63.100 0.091 0.000 0.880 518 P CB 0.162 31.906 31.700 0.074 0.000 0.791 519 E N -0.548 119.683 120.200 0.051 0.000 2.072 519 E HA -0.132 4.218 4.350 0.001 0.000 0.191 519 E C 2.148 178.766 176.600 0.030 0.000 0.985 519 E CA 1.575 57.992 56.400 0.029 0.000 0.801 519 E CB -1.027 28.687 29.700 0.024 0.000 0.750 519 E HN 0.155 nan 8.360 nan 0.000 0.452 520 G N 0.555 109.377 108.800 0.038 0.000 2.421 520 G HA2 -0.151 3.809 3.960 0.001 0.000 0.217 520 G HA3 -0.151 3.809 3.960 0.001 0.000 0.217 520 G C 1.633 176.559 174.900 0.043 0.000 1.143 520 G CA 0.717 45.835 45.100 0.030 0.000 0.784 520 G HN 0.224 nan 8.290 nan 0.000 0.541 521 V N 0.936 120.890 119.914 0.068 0.000 2.379 521 V HA -0.059 4.062 4.120 0.001 0.000 0.245 521 V C 2.720 178.878 176.094 0.106 0.000 1.044 521 V CA 1.232 63.589 62.300 0.094 0.000 1.036 521 V CB -0.300 31.597 31.823 0.122 0.000 0.664 521 V HN 0.351 nan 8.190 nan 0.000 0.453 522 I N 0.233 120.859 120.570 0.093 0.000 2.252 522 I HA -0.209 3.961 4.170 0.001 0.000 0.245 522 I C 2.201 178.328 176.117 0.017 0.000 1.102 522 I CA 1.414 62.747 61.300 0.055 0.000 1.385 522 I CB -0.444 37.536 38.000 -0.033 0.000 1.064 522 I HN 0.296 nan 8.210 nan 0.000 0.414 523 D N 0.902 121.308 120.400 0.010 0.000 2.190 523 D HA -0.171 4.469 4.640 0.001 0.000 0.200 523 D C 1.858 178.162 176.300 0.007 0.000 0.992 523 D CA 1.184 55.183 54.000 -0.002 0.000 0.854 523 D CB -0.216 40.584 40.800 -0.002 0.000 0.936 523 D HN 0.315 nan 8.370 nan 0.000 0.462 524 R N -0.614 119.903 120.500 0.029 0.000 2.391 524 R HA 0.209 4.550 4.340 0.001 0.000 0.249 524 R C -0.242 176.089 176.300 0.053 0.000 0.957 524 R CA -0.206 55.917 56.100 0.038 0.000 1.093 524 R CB 0.209 30.539 30.300 0.049 0.000 1.156 524 R HN 0.064 nan 8.270 nan 0.000 0.526 525 C N 0.860 120.190 119.300 0.050 0.000 2.319 525 C HA 0.307 4.767 4.460 0.001 0.000 0.335 525 C C 1.125 176.102 174.990 -0.023 0.000 1.274 525 C CA -0.914 58.146 59.018 0.070 0.000 1.806 525 C CB 1.002 28.828 27.740 0.142 0.000 2.329 525 C HN 0.475 nan 8.230 nan 0.000 0.524 526 N N 0.390 119.033 118.700 -0.094 0.000 2.322 526 N HA 0.126 4.867 4.740 0.001 0.000 0.181 526 N C -0.505 174.617 175.510 -0.647 0.000 1.088 526 N CA 0.647 53.455 53.050 -0.404 0.000 0.885 526 N CB 0.302 38.456 38.487 -0.555 0.000 1.013 526 N HN 0.722 nan 8.380 nan 0.000 0.472 527 Y N -0.904 119.429 120.300 0.054 0.000 2.633 527 Y HA 0.629 5.179 4.550 0.001 0.000 0.339 527 Y C -0.068 175.892 175.900 0.101 0.000 1.045 527 Y CA -1.096 57.040 58.100 0.060 0.000 1.098 527 Y CB 1.511 40.002 38.460 0.052 0.000 1.296 527 Y HN -0.434 nan 8.280 nan 0.000 0.494 528 V N 1.390 121.467 119.914 0.272 0.000 2.638 528 V HA 0.479 4.599 4.120 0.001 0.000 0.306 528 V C -0.747 175.471 176.094 0.207 0.000 1.052 528 V CA -1.020 61.434 62.300 0.257 0.000 0.885 528 V CB 1.895 33.828 31.823 0.184 0.000 0.999 528 V HN 0.616 nan 8.190 nan 0.000 0.424 529 R N 3.225 123.839 120.500 0.190 0.000 2.298 529 R HA 0.602 4.942 4.340 0.001 0.000 0.310 529 R C -1.185 175.188 176.300 0.121 0.000 1.068 529 R CA 0.020 56.192 56.100 0.120 0.000 0.957 529 R CB 1.042 31.386 30.300 0.072 0.000 1.003 529 R HN 0.505 nan 8.270 nan 0.000 0.454 530 V N 6.011 125.984 119.914 0.097 0.000 2.380 530 V HA 0.500 4.620 4.120 0.001 0.000 0.286 530 V C 1.076 177.220 176.094 0.084 0.000 1.015 530 V CA 0.048 62.404 62.300 0.093 0.000 0.834 530 V CB 0.591 32.462 31.823 0.080 0.000 1.009 530 V HN 1.069 nan 8.190 nan 0.000 0.428 531 G N 5.352 114.209 108.800 0.096 0.000 2.620 531 G HA2 -0.382 3.578 3.960 0.001 0.000 0.315 531 G HA3 -0.382 3.578 3.960 0.001 0.000 0.315 531 G C 1.000 175.939 174.900 0.065 0.000 1.179 531 G CA 1.348 46.503 45.100 0.092 0.000 0.971 531 G HN 1.343 nan 8.290 nan 0.000 0.544 532 T N -1.334 113.251 114.554 0.051 0.000 3.023 532 T HA 0.466 4.816 4.350 0.001 0.000 0.253 532 T C 1.217 175.935 174.700 0.030 0.000 1.038 532 T CA 1.536 63.658 62.100 0.037 0.000 0.962 532 T CB 0.124 69.010 68.868 0.029 0.000 1.018 532 T HN 1.594 nan 8.240 nan 0.000 0.521 533 T N 0.636 115.212 114.554 0.038 0.000 2.824 533 T HA 0.516 4.866 4.350 0.001 0.000 0.277 533 T C -0.298 174.425 174.700 0.040 0.000 0.975 533 T CA -0.984 61.135 62.100 0.032 0.000 0.966 533 T CB 1.526 70.417 68.868 0.038 0.000 1.054 533 T HN 0.455 nan 8.240 nan 0.000 0.533 534 R N 1.011 121.531 120.500 0.035 0.000 2.574 534 R HA 0.619 4.959 4.340 0.001 0.000 0.288 534 R C -1.369 174.990 176.300 0.099 0.000 1.004 534 R CA -0.793 55.340 56.100 0.055 0.000 0.895 534 R CB 1.913 32.194 30.300 -0.031 0.000 1.191 534 R HN 0.759 nan 8.270 nan 0.000 0.444 535 V N 1.155 121.160 119.914 0.152 0.000 3.001 535 V HA 0.729 4.850 4.120 0.001 0.000 0.314 535 V C -2.795 173.426 176.094 0.211 0.000 1.099 535 V CA -2.780 59.616 62.300 0.160 0.000 0.989 535 V CB 2.004 33.884 31.823 0.095 0.000 1.040 535 V HN 0.654 nan 8.190 nan 0.000 0.434 536 P HA 0.232 nan 4.420 nan 0.000 0.267 536 P C -0.492 176.801 177.300 -0.013 0.000 1.205 536 P CA 0.033 63.153 63.100 0.033 0.000 0.765 536 P CB 0.262 31.965 31.700 0.005 0.000 0.828 537 M N 4.566 124.121 119.600 -0.075 0.000 2.227 537 M HA 0.210 4.690 4.480 0.001 0.000 0.349 537 M C -0.144 176.106 176.300 -0.083 0.000 1.443 537 M CA 0.633 55.890 55.300 -0.071 0.000 1.110 537 M CB -0.373 32.176 32.600 -0.084 0.000 1.773 537 M HN 0.387 nan 8.290 nan 0.000 0.463 538 T N 1.749 116.261 114.554 -0.070 0.000 2.949 538 T HA 0.705 5.055 4.350 0.001 0.000 0.287 538 T C 1.067 175.726 174.700 -0.069 0.000 1.034 538 T CA -0.533 61.529 62.100 -0.063 0.000 1.018 538 T CB 1.225 70.066 68.868 -0.046 0.000 1.135 538 T HN 0.696 nan 8.240 nan 0.000 0.532 539 G N 0.985 109.751 108.800 -0.057 0.000 2.514 539 G HA2 -0.096 3.864 3.960 0.001 0.000 0.217 539 G HA3 -0.096 3.864 3.960 0.001 0.000 0.217 539 G C -0.906 173.956 174.900 -0.062 0.000 1.198 539 G CA 0.899 45.965 45.100 -0.056 0.000 0.780 539 G HN 0.656 nan 8.290 nan 0.000 0.565 540 P HA -0.016 nan 4.420 nan 0.000 0.217 540 P C 2.097 179.346 177.300 -0.085 0.000 1.150 540 P CA 0.657 63.725 63.100 -0.053 0.000 0.832 540 P CB -0.071 31.611 31.700 -0.031 0.000 0.787 541 V N 0.451 120.306 119.914 -0.099 0.000 2.270 541 V HA -0.244 3.876 4.120 0.001 0.000 0.245 541 V C 2.536 178.527 176.094 -0.172 0.000 1.043 541 V CA 1.931 64.145 62.300 -0.143 0.000 1.014 541 V CB -1.049 30.698 31.823 -0.126 0.000 0.645 541 V HN 0.117 nan 8.190 nan 0.000 0.447 542 K N 0.587 120.896 120.400 -0.152 0.000 2.113 542 K HA -0.297 4.024 4.320 0.001 0.000 0.208 542 K C 2.088 178.599 176.600 -0.150 0.000 1.047 542 K CA 2.218 58.406 56.287 -0.166 0.000 0.928 542 K CB -0.121 32.306 32.500 -0.120 0.000 0.716 542 K HN 0.675 nan 8.250 nan 0.000 0.446 543 E N 0.834 120.964 120.200 -0.117 0.000 2.112 543 E HA -0.201 4.149 4.350 0.001 0.000 0.190 543 E C 1.796 178.327 176.600 -0.116 0.000 0.979 543 E CA 1.473 57.814 56.400 -0.098 0.000 0.814 543 E CB -0.207 29.451 29.700 -0.069 0.000 0.762 543 E HN 0.245 nan 8.360 nan 0.000 0.460 544 K N 1.122 121.438 120.400 -0.140 0.000 2.026 544 K HA -0.056 4.264 4.320 0.001 0.000 0.208 544 K C 2.015 178.484 176.600 -0.217 0.000 1.048 544 K CA 1.975 58.160 56.287 -0.170 0.000 0.929 544 K CB -0.542 31.836 32.500 -0.203 0.000 0.713 544 K HN 0.333 nan 8.250 nan 0.000 0.439 545 I N 0.479 120.904 120.570 -0.242 0.000 2.252 545 I HA -0.239 3.931 4.170 0.001 0.000 0.245 545 I C 2.170 178.187 176.117 -0.167 0.000 1.102 545 I CA 1.092 62.242 61.300 -0.250 0.000 1.385 545 I CB -0.212 37.568 38.000 -0.367 0.000 1.064 545 I HN 0.133 nan 8.210 nan 0.000 0.414 546 L N -0.187 120.945 121.223 -0.151 0.000 2.131 546 L HA -0.179 4.161 4.340 0.001 0.000 0.210 546 L C 2.643 179.465 176.870 -0.081 0.000 1.092 546 L CA 1.048 55.831 54.840 -0.095 0.000 0.759 546 L CB -0.478 41.535 42.059 -0.077 0.000 0.903 546 L HN 0.174 nan 8.230 nan 0.000 0.435 547 S N -0.634 115.006 115.700 -0.100 0.000 2.368 547 S HA -0.131 4.340 4.470 0.001 0.000 0.224 547 S C 2.023 176.564 174.600 -0.099 0.000 1.029 547 S CA 1.091 59.243 58.200 -0.081 0.000 0.988 547 S CB -0.134 63.019 63.200 -0.079 0.000 0.838 547 S HN 0.155 nan 8.310 nan 0.000 0.462 548 V N 2.096 121.900 119.914 -0.183 0.000 2.358 548 V HA -0.128 3.993 4.120 0.001 0.000 0.246 548 V C 2.033 177.935 176.094 -0.320 0.000 1.047 548 V CA 1.380 63.508 62.300 -0.286 0.000 1.035 548 V CB -0.636 30.883 31.823 -0.507 0.000 0.658 548 V HN 0.444 nan 8.190 nan 0.000 0.452 549 I N -0.030 120.419 120.570 -0.202 0.000 2.264 549 I HA -0.267 3.904 4.170 0.001 0.000 0.248 549 I C 2.615 178.759 176.117 0.044 0.000 1.111 549 I CA 1.718 62.969 61.300 -0.081 0.000 1.382 549 I CB -0.424 37.574 38.000 -0.003 0.000 1.060 549 I HN 0.278 nan 8.210 nan 0.000 0.418 550 K N 1.314 121.726 120.400 0.021 0.000 2.097 550 K HA -0.186 4.134 4.320 0.001 0.000 0.205 550 K C 1.828 178.486 176.600 0.096 0.000 1.050 550 K CA 1.468 57.788 56.287 0.056 0.000 0.938 550 K CB 0.014 32.528 32.500 0.024 0.000 0.718 550 K HN 0.363 nan 8.250 nan 0.000 0.442 551 E N -0.502 119.756 120.200 0.096 0.000 2.110 551 E HA -0.189 4.162 4.350 0.001 0.000 0.193 551 E C 1.686 178.473 176.600 0.313 0.000 0.988 551 E CA 1.197 57.695 56.400 0.164 0.000 0.804 551 E CB -0.123 29.671 29.700 0.156 0.000 0.745 551 E HN 0.392 nan 8.360 nan 0.000 0.458 552 W N 0.240 121.578 121.300 0.063 0.000 2.425 552 W HA 0.030 4.690 4.660 0.001 0.000 0.277 552 W C 2.204 178.753 176.519 0.051 0.000 1.231 552 W CA 1.115 58.501 57.345 0.068 0.000 1.248 552 W CB -0.746 28.779 29.460 0.107 0.000 1.117 552 W HN 0.070 nan 8.180 nan 0.000 0.568 553 G N -1.443 107.520 108.800 0.272 0.000 2.985 553 G HA2 0.015 3.975 3.960 0.001 0.000 0.209 553 G HA3 0.015 3.975 3.960 0.001 0.000 0.209 553 G C 0.828 175.794 174.900 0.110 0.000 1.165 553 G CA 1.291 46.492 45.100 0.168 0.000 0.776 553 G HN 0.233 nan 8.290 nan 0.000 0.541 554 T N -3.684 110.934 114.554 0.105 0.000 3.328 554 T HA 0.424 4.775 4.350 0.001 0.000 0.305 554 T C 1.179 175.911 174.700 0.054 0.000 0.939 554 T CA 0.443 62.582 62.100 0.065 0.000 0.950 554 T CB 0.548 69.449 68.868 0.055 0.000 1.182 554 T HN 0.223 nan 8.240 nan 0.000 0.545 555 G N 1.656 110.496 108.800 0.065 0.000 2.468 555 G HA2 0.261 4.222 3.960 0.001 0.000 0.264 555 G HA3 0.261 4.222 3.960 0.001 0.000 0.264 555 G C 0.931 175.842 174.900 0.019 0.000 1.460 555 G CA -0.825 44.303 45.100 0.046 0.000 1.060 555 G HN 0.344 nan 8.290 nan 0.000 0.543 556 R N -0.287 120.218 120.500 0.009 0.000 2.293 556 R HA -0.052 4.288 4.340 0.001 0.000 0.219 556 R C 1.407 177.699 176.300 -0.013 0.000 1.091 556 R CA 1.027 57.126 56.100 -0.002 0.000 1.004 556 R CB -0.109 30.187 30.300 -0.007 0.000 0.865 556 R HN 0.441 nan 8.270 nan 0.000 0.469 557 D N 0.452 120.845 120.400 -0.010 0.000 2.113 557 D HA -0.053 4.588 4.640 0.001 0.000 0.206 557 D C 0.452 176.745 176.300 -0.011 0.000 0.979 557 D CA 1.166 55.145 54.000 -0.036 0.000 0.862 557 D CB -0.246 40.523 40.800 -0.052 0.000 1.013 557 D HN -0.028 nan 8.370 nan 0.000 0.455 558 T N 0.675 115.245 114.554 0.027 0.000 3.803 558 T HA -0.197 4.153 4.350 0.001 0.000 0.376 558 T C 0.187 174.908 174.700 0.035 0.000 0.761 558 T CA 0.100 62.222 62.100 0.038 0.000 1.962 558 T CB -1.720 67.162 68.868 0.024 0.000 1.780 558 T HN 0.101 nan 8.240 nan 0.000 0.771 559 L N 0.435 121.690 121.223 0.053 0.000 2.379 559 L HA 0.485 4.825 4.340 0.001 0.000 0.269 559 L C 1.130 178.051 176.870 0.085 0.000 1.084 559 L CA -1.042 53.826 54.840 0.047 0.000 0.802 559 L CB 0.784 42.860 42.059 0.029 0.000 1.175 559 L HN 0.204 nan 8.230 nan 0.000 0.448 560 R N 1.061 121.602 120.500 0.070 0.000 2.316 560 R HA 0.320 4.661 4.340 0.001 0.000 0.314 560 R C -1.096 175.270 176.300 0.110 0.000 1.069 560 R CA -0.476 55.674 56.100 0.084 0.000 0.959 560 R CB 0.267 30.605 30.300 0.063 0.000 0.987 560 R HN 0.498 nan 8.270 nan 0.000 0.446 561 C N 4.523 123.904 119.300 0.134 0.000 2.355 561 C HA 0.516 4.976 4.460 0.001 0.000 0.332 561 C C 0.156 175.212 174.990 0.109 0.000 1.255 561 C CA -0.817 58.293 59.018 0.153 0.000 1.792 561 C CB 0.347 28.205 27.740 0.197 0.000 2.300 561 C HN 0.692 nan 8.230 nan 0.000 0.515 562 L N 2.758 124.031 121.223 0.084 0.000 2.334 562 L HA 0.704 5.045 4.340 0.001 0.000 0.276 562 L C 0.403 177.293 176.870 0.034 0.000 1.014 562 L CA -0.204 54.675 54.840 0.065 0.000 0.815 562 L CB 1.309 43.399 42.059 0.051 0.000 1.268 562 L HN 0.803 nan 8.230 nan 0.000 0.428 563 A N 4.277 127.133 122.820 0.061 0.000 2.306 563 A HA 0.813 5.133 4.320 0.001 0.000 0.314 563 A C -0.736 176.840 177.584 -0.014 0.000 1.164 563 A CA -0.442 51.635 52.037 0.066 0.000 0.822 563 A CB 0.642 19.773 19.000 0.219 0.000 1.130 563 A HN 0.652 nan 8.150 nan 0.000 0.496 564 L N 1.568 122.687 121.223 -0.173 0.000 2.333 564 L HA 0.774 5.115 4.340 0.001 0.000 0.280 564 L C 0.237 176.966 176.870 -0.235 0.000 1.004 564 L CA -0.296 54.440 54.840 -0.173 0.000 0.820 564 L CB 1.817 43.753 42.059 -0.205 0.000 1.247 564 L HN 0.859 nan 8.230 nan 0.000 0.416 565 A N 1.525 124.305 122.820 -0.068 0.000 2.593 565 A HA 0.881 5.201 4.320 0.001 0.000 0.290 565 A C -0.799 176.825 177.584 0.066 0.000 1.126 565 A CA -0.517 51.506 52.037 -0.023 0.000 0.695 565 A CB 2.304 21.339 19.000 0.058 0.000 1.290 565 A HN 0.555 nan 8.150 nan 0.000 0.414 566 T N -0.653 113.944 114.554 0.072 0.000 2.916 566 T HA 0.582 4.933 4.350 0.001 0.000 0.298 566 T C -0.677 174.019 174.700 -0.007 0.000 1.031 566 T CA -0.558 61.575 62.100 0.056 0.000 0.993 566 T CB 1.225 70.180 68.868 0.145 0.000 1.045 566 T HN 0.803 nan 8.240 nan 0.000 0.454 567 R N 3.161 123.615 120.500 -0.078 0.000 2.210 567 R HA 0.220 4.560 4.340 0.001 0.000 0.338 567 R C 0.285 176.510 176.300 -0.124 0.000 1.062 567 R CA -0.406 55.660 56.100 -0.056 0.000 0.902 567 R CB 0.285 30.560 30.300 -0.042 0.000 1.050 567 R HN 0.682 nan 8.270 nan 0.000 0.461 568 D N 1.901 122.250 120.400 -0.086 0.000 2.144 568 D HA -0.074 4.566 4.640 0.001 0.000 0.200 568 D C -0.089 176.135 176.300 -0.127 0.000 0.978 568 D CA 1.506 55.432 54.000 -0.122 0.000 0.833 568 D CB 0.404 41.123 40.800 -0.134 0.000 0.961 568 D HN 0.457 nan 8.370 nan 0.000 0.470 569 T N 2.983 117.483 114.554 -0.089 0.000 3.150 569 T HA 0.322 4.672 4.350 0.001 0.000 0.383 569 T C -2.532 172.146 174.700 -0.037 0.000 1.313 569 T CA -1.386 60.675 62.100 -0.066 0.000 1.235 569 T CB 2.134 70.980 68.868 -0.037 0.000 1.088 569 T HN -0.076 nan 8.240 nan 0.000 0.556 570 P HA 0.360 nan 4.420 nan 0.000 0.274 570 P C -2.494 174.844 177.300 0.063 0.000 1.246 570 P CA -1.510 61.590 63.100 0.001 0.000 0.795 570 P CB -0.374 31.302 31.700 -0.041 0.000 1.006 571 P HA 0.143 nan 4.420 nan 0.000 0.271 571 P C -0.591 176.758 177.300 0.081 0.000 1.244 571 P CA -0.035 63.097 63.100 0.054 0.000 0.793 571 P CB 0.264 31.956 31.700 -0.014 0.000 0.984 572 K N 0.923 121.343 120.400 0.033 0.000 2.270 572 K HA 0.180 4.501 4.320 0.001 0.000 0.276 572 K C 1.604 178.174 176.600 -0.050 0.000 1.023 572 K CA -0.147 56.159 56.287 0.032 0.000 0.955 572 K CB 0.288 32.794 32.500 0.010 0.000 0.975 572 K HN 0.238 nan 8.250 nan 0.000 0.471 573 R N 1.688 122.134 120.500 -0.090 0.000 2.140 573 R HA -0.261 4.079 4.340 0.001 0.000 0.250 573 R C 1.062 177.223 176.300 -0.231 0.000 1.150 573 R CA 1.798 57.746 56.100 -0.254 0.000 0.966 573 R CB -0.231 29.932 30.300 -0.228 0.000 0.869 573 R HN 0.582 nan 8.270 nan 0.000 0.445 574 E N 0.581 120.700 120.200 -0.136 0.000 2.274 574 E HA -0.092 4.259 4.350 0.001 0.000 0.194 574 E C 1.186 177.726 176.600 -0.099 0.000 0.996 574 E CA 0.779 57.112 56.400 -0.112 0.000 0.840 574 E CB 0.045 29.706 29.700 -0.065 0.000 0.772 574 E HN 0.445 nan 8.360 nan 0.000 0.491 575 E N -0.314 119.827 120.200 -0.099 0.000 2.502 575 E HA 0.090 4.441 4.350 0.001 0.000 0.194 575 E C -0.197 176.338 176.600 -0.108 0.000 1.062 575 E CA 0.112 56.472 56.400 -0.066 0.000 0.867 575 E CB 0.080 29.761 29.700 -0.032 0.000 0.888 575 E HN 0.245 nan 8.360 nan 0.000 0.510 576 M N 1.157 120.611 119.600 -0.242 0.000 2.311 576 M HA 0.214 4.694 4.480 0.001 0.000 0.325 576 M C -0.545 175.670 176.300 -0.142 0.000 1.061 576 M CA -0.846 54.214 55.300 -0.399 0.000 0.957 576 M CB 2.740 34.801 32.600 -0.897 0.000 1.646 576 M HN -0.202 nan 8.290 nan 0.000 0.434 577 V N 5.395 125.401 119.914 0.152 0.000 2.406 577 V HA 0.310 4.431 4.120 0.001 0.000 0.272 577 V C 0.360 176.592 176.094 0.229 0.000 1.043 577 V CA -0.207 62.169 62.300 0.127 0.000 0.915 577 V CB 0.620 32.526 31.823 0.140 0.000 0.988 577 V HN 0.999 nan 8.190 nan 0.000 0.466 578 L N 4.234 125.499 121.223 0.070 0.000 2.558 578 L HA 0.176 4.517 4.340 0.001 0.000 0.225 578 L C 1.711 178.741 176.870 0.266 0.000 1.128 578 L CA 0.632 55.575 54.840 0.172 0.000 0.868 578 L CB -0.287 41.709 42.059 -0.105 0.000 1.006 578 L HN 0.853 nan 8.230 nan 0.000 0.454 579 D N -1.746 118.734 120.400 0.133 0.000 2.339 579 D HA -0.064 4.576 4.640 0.001 0.000 0.217 579 D C 0.197 176.503 176.300 0.010 0.000 1.050 579 D CA 0.137 54.181 54.000 0.074 0.000 0.856 579 D CB 0.033 40.852 40.800 0.031 0.000 0.922 579 D HN 0.063 nan 8.370 nan 0.000 0.518 580 D N 0.330 120.714 120.400 -0.026 0.000 2.420 580 D HA 0.095 4.735 4.640 0.001 0.000 0.255 580 D C 1.078 177.019 176.300 -0.599 0.000 1.185 580 D CA -0.367 53.517 54.000 -0.194 0.000 0.904 580 D CB 1.541 42.278 40.800 -0.105 0.000 1.102 580 D HN -0.073 nan 8.370 nan 0.000 0.534 581 S N 1.384 116.629 115.700 -0.759 0.000 2.442 581 S HA -0.201 4.270 4.470 0.001 0.000 0.236 581 S C 1.857 175.954 174.600 -0.839 0.000 1.007 581 S CA 1.161 58.566 58.200 -1.324 0.000 0.965 581 S CB -0.341 62.493 63.200 -0.611 0.000 0.773 581 S HN 0.378 nan 8.310 nan 0.000 0.504 582 S N 1.974 117.393 115.700 -0.468 0.000 2.469 582 S HA 0.008 4.479 4.470 0.001 0.000 0.238 582 S C 1.736 176.171 174.600 -0.274 0.000 0.998 582 S CA 0.176 58.205 58.200 -0.285 0.000 0.957 582 S CB -0.394 62.692 63.200 -0.190 0.000 0.764 582 S HN 0.507 nan 8.310 nan 0.000 0.514 583 R N 0.045 120.335 120.500 -0.350 0.000 2.280 583 R HA 0.319 4.660 4.340 0.001 0.000 0.195 583 R C 1.564 177.636 176.300 -0.380 0.000 0.935 583 R CA 0.145 56.023 56.100 -0.371 0.000 1.033 583 R CB -0.762 29.323 30.300 -0.360 0.000 0.964 583 R HN 0.584 nan 8.270 nan 0.000 0.489 584 F N 0.937 120.724 119.950 -0.272 0.000 2.171 584 F HA -0.153 4.374 4.527 0.001 0.000 0.300 584 F C 2.610 178.353 175.800 -0.095 0.000 1.090 584 F CA 0.526 58.459 58.000 -0.112 0.000 1.293 584 F CB -0.256 38.763 39.000 0.031 0.000 1.013 584 F HN -0.018 nan 8.300 nan 0.000 0.486 585 M N 0.641 120.281 119.600 0.067 0.000 2.082 585 M HA -0.276 4.204 4.480 0.001 0.000 0.258 585 M C 2.151 178.462 176.300 0.018 0.000 1.069 585 M CA 1.949 57.266 55.300 0.029 0.000 1.102 585 M CB -0.164 32.425 32.600 -0.018 0.000 1.336 585 M HN -0.001 nan 8.290 nan 0.000 0.404 586 E N -0.157 120.003 120.200 -0.067 0.000 2.077 586 E HA -0.195 4.156 4.350 0.001 0.000 0.193 586 E C 1.516 178.173 176.600 0.095 0.000 0.989 586 E CA 1.840 58.217 56.400 -0.039 0.000 0.800 586 E CB -0.496 29.132 29.700 -0.121 0.000 0.746 586 E HN 0.635 nan 8.360 nan 0.000 0.452 587 Y N 0.853 121.223 120.300 0.116 0.000 2.333 587 Y HA 0.007 4.557 4.550 0.001 0.000 0.290 587 Y C 0.844 176.795 175.900 0.085 0.000 1.144 587 Y CA 0.965 59.130 58.100 0.108 0.000 1.228 587 Y CB -0.346 38.190 38.460 0.127 0.000 0.985 587 Y HN 0.142 nan 8.280 nan 0.000 0.542 588 E N 0.717 121.049 120.200 0.219 0.000 2.464 588 E HA 0.170 4.520 4.350 0.001 0.000 0.260 588 E C 0.105 176.770 176.600 0.108 0.000 1.318 588 E CA -0.159 56.325 56.400 0.140 0.000 1.571 588 E CB -0.026 29.744 29.700 0.117 0.000 1.525 588 E HN 0.250 nan 8.360 nan 0.000 0.449 589 T N -3.124 111.497 114.554 0.113 0.000 2.888 589 T HA 0.311 4.662 4.350 0.001 0.000 0.288 589 T C 0.196 174.956 174.700 0.101 0.000 1.063 589 T CA -0.809 61.344 62.100 0.090 0.000 1.010 589 T CB 1.485 70.399 68.868 0.075 0.000 1.214 589 T HN 0.040 nan 8.240 nan 0.000 0.533 590 D N -0.365 120.091 120.400 0.094 0.000 2.772 590 D HA -0.132 4.508 4.640 0.001 0.000 0.233 590 D C -0.340 176.072 176.300 0.186 0.000 1.143 590 D CA 0.460 54.541 54.000 0.135 0.000 0.700 590 D CB -1.583 39.306 40.800 0.149 0.000 1.076 590 D HN 0.641 nan 8.370 nan 0.000 0.430 591 L N -0.647 120.666 121.223 0.150 0.000 2.475 591 L HA 0.416 4.757 4.340 0.001 0.000 0.253 591 L C 1.093 178.105 176.870 0.236 0.000 1.198 591 L CA -0.177 54.757 54.840 0.157 0.000 0.814 591 L CB 0.916 43.049 42.059 0.123 0.000 1.134 591 L HN -0.031 nan 8.230 nan 0.000 0.478 592 T N 1.320 115.994 114.554 0.200 0.000 2.809 592 T HA 0.285 4.635 4.350 0.001 0.000 0.296 592 T C -0.498 174.318 174.700 0.194 0.000 1.015 592 T CA -0.315 61.922 62.100 0.230 0.000 0.954 592 T CB 0.447 69.405 68.868 0.149 0.000 0.950 592 T HN 0.256 nan 8.240 nan 0.000 0.450 593 F N 4.355 124.359 119.950 0.091 0.000 2.529 593 F HA 0.302 4.829 4.527 0.001 0.000 0.365 593 F C 0.717 176.552 175.800 0.059 0.000 1.102 593 F CA 0.132 58.169 58.000 0.061 0.000 1.271 593 F CB 0.603 39.632 39.000 0.048 0.000 1.120 593 F HN 0.334 nan 8.300 nan 0.000 0.579 594 V N 4.480 123.872 119.914 -0.870 0.000 2.911 594 V HA 0.490 4.610 4.120 0.001 0.000 0.237 594 V C 1.001 176.616 176.094 -0.799 0.000 1.156 594 V CA 0.711 62.667 62.300 -0.573 0.000 1.180 594 V CB 0.001 31.646 31.823 -0.298 0.000 0.932 594 V HN 1.071 nan 8.190 nan 0.000 0.483 595 G N -0.879 107.187 108.800 -1.222 0.000 2.428 595 G HA2 0.523 4.484 3.960 0.001 0.000 0.304 595 G HA3 0.523 4.484 3.960 0.001 0.000 0.304 595 G C -2.229 172.298 174.900 -0.621 0.000 1.303 595 G CA -0.132 44.539 45.100 -0.715 0.000 0.825 595 G HN -0.006 nan 8.290 nan 0.000 0.484 596 V N -0.158 119.384 119.914 -0.620 0.000 2.888 596 V HA 0.743 4.863 4.120 0.001 0.000 0.309 596 V C -0.216 175.754 176.094 -0.207 0.000 1.114 596 V CA -0.573 61.443 62.300 -0.474 0.000 0.940 596 V CB 1.821 33.134 31.823 -0.849 0.000 1.021 596 V HN 1.446 nan 8.190 nan 0.000 0.426 597 V N 0.760 120.658 119.914 -0.027 0.000 2.680 597 V HA 1.060 5.180 4.120 0.001 0.000 0.309 597 V C 0.102 176.297 176.094 0.168 0.000 1.052 597 V CA -0.448 61.905 62.300 0.089 0.000 0.908 597 V CB 1.762 33.597 31.823 0.021 0.000 1.001 597 V HN 1.060 nan 8.190 nan 0.000 0.431 598 G N 5.178 114.082 108.800 0.172 0.000 2.557 598 G HA2 0.675 4.635 3.960 0.001 0.000 0.310 598 G HA3 0.675 4.635 3.960 0.001 0.000 0.310 598 G C -0.696 174.212 174.900 0.014 0.000 1.328 598 G CA -0.840 44.337 45.100 0.129 0.000 0.945 598 G HN 1.180 nan 8.290 nan 0.000 0.494 599 M N 2.236 121.852 119.600 0.027 0.000 2.724 599 M HA 0.917 5.397 4.480 0.001 0.000 0.310 599 M C -1.015 175.283 176.300 -0.004 0.000 1.217 599 M CA -1.055 54.247 55.300 0.003 0.000 0.894 599 M CB 2.508 35.121 32.600 0.023 0.000 1.719 599 M HN 0.516 nan 8.290 nan 0.000 0.479 600 L N -0.525 120.685 121.223 -0.022 0.000 2.479 600 L HA 0.709 5.050 4.340 0.001 0.000 0.255 600 L C -1.725 175.124 176.870 -0.036 0.000 1.026 600 L CA -0.853 53.972 54.840 -0.025 0.000 0.842 600 L CB 2.319 44.354 42.059 -0.040 0.000 1.444 600 L HN 0.801 nan 8.230 nan 0.000 0.409 601 D N 2.998 123.378 120.400 -0.035 0.000 2.365 601 D HA 0.495 5.136 4.640 0.001 0.000 0.237 601 D C -2.480 173.782 176.300 -0.064 0.000 1.190 601 D CA -1.490 52.477 54.000 -0.055 0.000 0.867 601 D CB 1.090 41.867 40.800 -0.038 0.000 1.050 601 D HN 0.419 nan 8.370 nan 0.000 0.491 602 P HA 0.413 nan 4.420 nan 0.000 0.285 602 P C -2.835 174.416 177.300 -0.083 0.000 1.269 602 P CA -2.164 60.889 63.100 -0.078 0.000 0.844 602 P CB 0.554 32.207 31.700 -0.079 0.000 1.094 603 P HA 0.159 nan 4.420 nan 0.000 0.269 603 P C 0.016 177.262 177.300 -0.089 0.000 1.209 603 P CA 0.078 63.116 63.100 -0.104 0.000 0.776 603 P CB 0.377 32.010 31.700 -0.111 0.000 0.876 604 R N 2.259 122.704 120.500 -0.092 0.000 2.679 604 R HA -0.019 4.322 4.340 0.001 0.000 0.268 604 R C 1.893 178.159 176.300 -0.057 0.000 1.044 604 R CA 0.028 56.093 56.100 -0.060 0.000 1.105 604 R CB 0.237 30.515 30.300 -0.038 0.000 0.989 604 R HN 0.572 nan 8.270 nan 0.000 0.447 605 K N 2.105 122.486 120.400 -0.031 0.000 2.152 605 K HA -0.173 4.147 4.320 0.001 0.000 0.206 605 K C 0.852 177.440 176.600 -0.020 0.000 1.048 605 K CA 1.517 57.789 56.287 -0.026 0.000 0.933 605 K CB 0.095 32.588 32.500 -0.013 0.000 0.721 605 K HN 0.590 nan 8.250 nan 0.000 0.447 606 E N 1.491 121.690 120.200 -0.001 0.000 2.478 606 E HA -0.009 4.342 4.350 0.001 0.000 0.194 606 E C 1.968 178.576 176.600 0.014 0.000 1.045 606 E CA 0.251 56.665 56.400 0.023 0.000 0.868 606 E CB -0.293 29.445 29.700 0.063 0.000 0.885 606 E HN 0.153 nan 8.360 nan 0.000 0.505 607 V N 2.003 121.877 119.914 -0.066 0.000 2.295 607 V HA -0.277 3.844 4.120 0.001 0.000 0.246 607 V C 2.665 178.678 176.094 -0.135 0.000 1.049 607 V CA 2.214 64.394 62.300 -0.201 0.000 1.024 607 V CB -0.586 30.999 31.823 -0.396 0.000 0.648 607 V HN 0.262 nan 8.190 nan 0.000 0.447 608 M N 0.398 119.937 119.600 -0.103 0.000 2.082 608 M HA -0.160 4.320 4.480 0.001 0.000 0.258 608 M C 2.019 178.298 176.300 -0.035 0.000 1.069 608 M CA 2.543 57.799 55.300 -0.074 0.000 1.102 608 M CB -0.671 31.893 32.600 -0.060 0.000 1.336 608 M HN 0.384 nan 8.290 nan 0.000 0.404 609 G N -1.100 107.692 108.800 -0.014 0.000 2.422 609 G HA2 -0.156 3.804 3.960 0.001 0.000 0.218 609 G HA3 -0.156 3.804 3.960 0.001 0.000 0.218 609 G C 1.385 176.301 174.900 0.028 0.000 1.140 609 G CA 1.007 46.111 45.100 0.006 0.000 0.775 609 G HN 0.558 nan 8.290 nan 0.000 0.545 610 S N 0.689 116.424 115.700 0.058 0.000 2.368 610 S HA -0.024 4.446 4.470 0.001 0.000 0.224 610 S C 2.282 176.943 174.600 0.101 0.000 1.029 610 S CA 0.671 58.943 58.200 0.118 0.000 0.988 610 S CB -0.110 63.261 63.200 0.284 0.000 0.838 610 S HN 0.278 nan 8.310 nan 0.000 0.462 611 I N 1.830 122.433 120.570 0.056 0.000 2.208 611 I HA -0.177 3.993 4.170 0.001 0.000 0.245 611 I C 2.686 178.811 176.117 0.013 0.000 1.097 611 I CA 1.433 62.748 61.300 0.026 0.000 1.363 611 I CB -1.371 36.604 38.000 -0.042 0.000 1.051 611 I HN 0.311 nan 8.210 nan 0.000 0.413 612 Q N 1.520 121.323 119.800 0.004 0.000 2.050 612 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 612 Q C 2.250 178.256 176.000 0.008 0.000 0.980 612 Q CA 1.682 57.485 55.803 0.001 0.000 0.840 612 Q CB -0.500 28.236 28.738 -0.002 0.000 0.898 612 Q HN 0.516 nan 8.270 nan 0.000 0.424 613 L N -0.756 120.477 121.223 0.017 0.000 2.083 613 L HA -0.253 4.088 4.340 0.001 0.000 0.209 613 L C 2.545 179.424 176.870 0.014 0.000 1.083 613 L CA 1.060 55.909 54.840 0.016 0.000 0.752 613 L CB -0.617 41.455 42.059 0.020 0.000 0.899 613 L HN 0.365 nan 8.230 nan 0.000 0.433 614 C N -0.574 118.740 119.300 0.024 0.000 2.436 614 C HA -0.185 4.275 4.460 0.001 0.000 0.277 614 C C 3.017 178.012 174.990 0.007 0.000 1.241 614 C CA 0.884 59.913 59.018 0.019 0.000 1.721 614 C CB -0.916 26.846 27.740 0.038 0.000 2.043 614 C HN 0.491 nan 8.230 nan 0.000 0.472 615 R N 0.997 121.501 120.500 0.005 0.000 2.096 615 R HA -0.177 4.164 4.340 0.001 0.000 0.240 615 R C 1.515 177.814 176.300 -0.002 0.000 1.139 615 R CA 2.210 58.309 56.100 -0.001 0.000 0.952 615 R CB -0.457 29.840 30.300 -0.004 0.000 0.854 615 R HN 0.483 nan 8.270 nan 0.000 0.436 616 D N -0.387 120.013 120.400 0.000 0.000 2.309 616 D HA -0.101 4.539 4.640 0.001 0.000 0.212 616 D C 0.904 177.202 176.300 -0.002 0.000 0.968 616 D CA 1.291 55.291 54.000 -0.001 0.000 0.882 616 D CB 0.136 40.937 40.800 0.001 0.000 0.918 616 D HN 0.420 nan 8.370 nan 0.000 0.503 617 A N -0.638 122.181 122.820 -0.003 0.000 2.465 617 A HA 0.508 4.829 4.320 0.001 0.000 0.255 617 A C 1.496 179.075 177.584 -0.009 0.000 1.274 617 A CA 0.503 52.536 52.037 -0.006 0.000 0.920 617 A CB 0.041 19.038 19.000 -0.006 0.000 1.033 617 A HN 0.129 nan 8.150 nan 0.000 0.516 618 G N -0.113 108.682 108.800 -0.008 0.000 2.198 618 G HA2 -0.216 3.745 3.960 0.001 0.000 0.257 618 G HA3 -0.216 3.745 3.960 0.001 0.000 0.257 618 G C -0.083 174.810 174.900 -0.012 0.000 1.042 618 G CA 0.483 45.577 45.100 -0.011 0.000 0.791 618 G HN 0.516 nan 8.290 nan 0.000 0.502 619 I N -0.032 120.533 120.570 -0.008 0.000 2.404 619 I HA 0.432 4.603 4.170 0.001 0.000 0.293 619 I C 0.808 176.923 176.117 -0.002 0.000 0.992 619 I CA -0.926 60.370 61.300 -0.006 0.000 1.149 619 I CB 1.540 39.538 38.000 -0.004 0.000 1.315 619 I HN -0.007 nan 8.210 nan 0.000 0.446 620 R N 4.208 124.706 120.500 -0.003 0.000 2.404 620 R HA 0.630 4.971 4.340 0.001 0.000 0.291 620 R C -1.097 175.206 176.300 0.006 0.000 1.025 620 R CA -0.581 55.517 56.100 -0.003 0.000 0.991 620 R CB 1.880 32.177 30.300 -0.004 0.000 1.053 620 R HN 0.363 nan 8.270 nan 0.000 0.479 621 V N 5.540 125.452 119.914 -0.003 0.000 2.459 621 V HA 0.451 4.572 4.120 0.001 0.000 0.295 621 V C -0.007 176.074 176.094 -0.022 0.000 1.029 621 V CA -0.605 61.698 62.300 0.005 0.000 0.874 621 V CB 1.786 33.614 31.823 0.008 0.000 0.985 621 V HN 0.616 nan 8.190 nan 0.000 0.438 622 I N 5.064 125.642 120.570 0.012 0.000 2.418 622 I HA 0.450 4.621 4.170 0.001 0.000 0.287 622 I C -0.140 176.000 176.117 0.039 0.000 1.008 622 I CA -0.376 60.946 61.300 0.037 0.000 1.104 622 I CB 1.841 39.905 38.000 0.107 0.000 1.264 622 I HN 0.598 nan 8.210 nan 0.000 0.438 623 M N 7.738 127.342 119.600 0.008 0.000 2.180 623 M HA 0.538 5.019 4.480 0.001 0.000 0.358 623 M C -1.436 174.922 176.300 0.098 0.000 1.233 623 M CA 0.121 55.428 55.300 0.012 0.000 1.114 623 M CB 0.727 33.294 32.600 -0.055 0.000 1.594 623 M HN 0.492 nan 8.290 nan 0.000 0.467 624 I N 4.314 124.930 120.570 0.078 0.000 2.468 624 I HA 0.332 4.503 4.170 0.001 0.000 0.284 624 I C -0.624 175.528 176.117 0.059 0.000 1.038 624 I CA -0.447 60.911 61.300 0.096 0.000 1.083 624 I CB 2.077 40.100 38.000 0.038 0.000 1.223 624 I HN 0.654 nan 8.210 nan 0.000 0.443 625 T N 2.712 117.305 114.554 0.065 0.000 2.912 625 T HA 0.458 4.808 4.350 0.001 0.000 0.299 625 T C 0.958 175.680 174.700 0.036 0.000 1.052 625 T CA -0.243 61.880 62.100 0.038 0.000 0.996 625 T CB 1.792 70.675 68.868 0.025 0.000 1.070 625 T HN 0.713 nan 8.240 nan 0.000 0.465 626 G N 2.177 110.991 108.800 0.024 0.000 2.598 626 G HA2 0.067 4.028 3.960 0.001 0.000 0.215 626 G HA3 0.067 4.028 3.960 0.001 0.000 0.215 626 G C 0.476 175.387 174.900 0.018 0.000 1.131 626 G CA 0.089 45.200 45.100 0.019 0.000 0.785 626 G HN 0.692 nan 8.290 nan 0.000 0.539 627 D N 0.275 120.686 120.400 0.019 0.000 2.354 627 D HA 0.128 4.768 4.640 0.001 0.000 0.247 627 D C 0.356 176.669 176.300 0.021 0.000 1.138 627 D CA -0.734 53.276 54.000 0.018 0.000 0.958 627 D CB 0.490 41.298 40.800 0.013 0.000 1.144 627 D HN -0.100 nan 8.370 nan 0.000 0.458 628 N N 1.287 120.000 118.700 0.022 0.000 2.416 628 N HA -0.063 4.678 4.740 0.001 0.000 0.246 628 N C 0.862 176.384 175.510 0.019 0.000 1.260 628 N CA 0.017 53.081 53.050 0.023 0.000 0.897 628 N CB 0.531 39.033 38.487 0.026 0.000 1.110 628 N HN 0.435 nan 8.380 nan 0.000 0.439 629 K N 1.163 121.573 120.400 0.017 0.000 2.057 629 K HA -0.092 4.228 4.320 0.001 0.000 0.206 629 K C 1.776 178.379 176.600 0.006 0.000 1.050 629 K CA 1.305 57.597 56.287 0.008 0.000 0.935 629 K CB -0.434 32.064 32.500 -0.003 0.000 0.715 629 K HN 0.674 nan 8.250 nan 0.000 0.439 630 G N 0.113 108.917 108.800 0.007 0.000 2.446 630 G HA2 -0.255 3.705 3.960 0.001 0.000 0.217 630 G HA3 -0.255 3.705 3.960 0.001 0.000 0.217 630 G C 1.438 176.346 174.900 0.013 0.000 1.168 630 G CA 1.495 46.600 45.100 0.007 0.000 0.771 630 G HN 0.321 nan 8.290 nan 0.000 0.551 631 T N 1.460 116.023 114.554 0.015 0.000 2.777 631 T HA 0.105 4.456 4.350 0.001 0.000 0.266 631 T C 2.832 177.537 174.700 0.008 0.000 1.040 631 T CA 1.400 63.506 62.100 0.010 0.000 1.141 631 T CB -0.366 68.508 68.868 0.010 0.000 0.868 631 T HN 0.380 nan 8.240 nan 0.000 0.444 632 A N 1.343 124.171 122.820 0.012 0.000 1.883 632 A HA -0.070 4.250 4.320 0.001 0.000 0.217 632 A C 2.271 179.876 177.584 0.034 0.000 1.186 632 A CA 1.420 53.464 52.037 0.013 0.000 0.624 632 A CB -0.852 18.160 19.000 0.020 0.000 0.822 632 A HN 0.517 nan 8.150 nan 0.000 0.444 633 I N -0.365 120.242 120.570 0.063 0.000 2.226 633 I HA -0.269 3.902 4.170 0.001 0.000 0.245 633 I C 2.981 179.163 176.117 0.109 0.000 1.100 633 I CA 1.001 62.385 61.300 0.139 0.000 1.374 633 I CB -0.350 37.692 38.000 0.070 0.000 1.057 633 I HN 0.368 nan 8.210 nan 0.000 0.413 634 A N 1.166 124.014 122.820 0.046 0.000 1.883 634 A HA -0.184 4.136 4.320 0.001 0.000 0.217 634 A C 2.275 179.862 177.584 0.006 0.000 1.186 634 A CA 1.446 53.497 52.037 0.024 0.000 0.624 634 A CB -0.639 18.365 19.000 0.007 0.000 0.822 634 A HN 0.309 nan 8.150 nan 0.000 0.444 635 I N -0.145 120.418 120.570 -0.012 0.000 2.226 635 I HA -0.264 3.907 4.170 0.001 0.000 0.245 635 I C 2.613 178.692 176.117 -0.063 0.000 1.100 635 I CA 1.091 62.364 61.300 -0.044 0.000 1.374 635 I CB -1.625 36.341 38.000 -0.056 0.000 1.057 635 I HN 0.373 nan 8.210 nan 0.000 0.413 636 C N 0.614 119.878 119.300 -0.059 0.000 2.403 636 C HA -0.175 4.285 4.460 0.001 0.000 0.277 636 C C 2.978 177.925 174.990 -0.072 0.000 1.248 636 C CA 0.837 59.769 59.018 -0.143 0.000 1.762 636 C CB -1.134 26.454 27.740 -0.252 0.000 2.014 636 C HN 0.442 nan 8.230 nan 0.000 0.486 637 R N 0.140 120.664 120.500 0.041 0.000 2.062 637 R HA -0.026 4.315 4.340 0.001 0.000 0.229 637 R C 2.461 178.759 176.300 -0.004 0.000 1.128 637 R CA 0.973 57.107 56.100 0.058 0.000 0.960 637 R CB -0.315 30.028 30.300 0.071 0.000 0.855 637 R HN 0.551 nan 8.270 nan 0.000 0.432 638 R N 0.995 121.480 120.500 -0.025 0.000 2.127 638 R HA -0.104 4.237 4.340 0.001 0.000 0.238 638 R C 2.165 178.428 176.300 -0.061 0.000 1.134 638 R CA 1.468 57.542 56.100 -0.043 0.000 0.975 638 R CB -0.362 29.907 30.300 -0.052 0.000 0.865 638 R HN 0.402 nan 8.270 nan 0.000 0.447 639 I N -3.388 117.131 120.570 -0.086 0.000 3.875 639 I HA 0.347 4.518 4.170 0.001 0.000 0.329 639 I C 0.683 176.737 176.117 -0.104 0.000 1.295 639 I CA 0.506 61.740 61.300 -0.111 0.000 1.129 639 I CB 0.449 38.352 38.000 -0.161 0.000 1.008 639 I HN 0.222 nan 8.210 nan 0.000 0.413 640 G N 2.167 110.919 108.800 -0.080 0.000 2.162 640 G HA2 -0.302 3.658 3.960 0.001 0.000 0.260 640 G HA3 -0.302 3.658 3.960 0.001 0.000 0.260 640 G C 0.713 175.551 174.900 -0.102 0.000 0.976 640 G CA 0.611 45.673 45.100 -0.064 0.000 0.655 640 G HN 0.531 nan 8.290 nan 0.000 0.533 641 I N -0.931 119.522 120.570 -0.196 0.000 2.286 641 I HA 0.097 4.267 4.170 0.001 0.000 0.248 641 I C 1.298 177.190 176.117 -0.375 0.000 1.115 641 I CA 1.167 62.262 61.300 -0.342 0.000 1.392 641 I CB -0.110 37.580 38.000 -0.518 0.000 1.065 641 I HN 0.246 nan 8.210 nan 0.000 0.418 642 F N -0.567 119.353 119.950 -0.050 0.000 2.556 642 F HA 0.525 5.052 4.527 0.001 0.000 0.327 642 F C 0.942 176.716 175.800 -0.044 0.000 1.059 642 F CA -1.229 56.741 58.000 -0.050 0.000 0.953 642 F CB 1.104 40.068 39.000 -0.060 0.000 1.227 642 F HN -0.218 nan 8.300 nan 0.000 0.478 643 G N 0.416 109.325 108.800 0.181 0.000 2.569 643 G HA2 0.124 4.084 3.960 0.001 0.000 0.249 643 G HA3 0.124 4.084 3.960 0.001 0.000 0.249 643 G C 0.307 175.244 174.900 0.063 0.000 1.216 643 G CA -0.318 44.829 45.100 0.078 0.000 0.845 643 G HN 0.867 nan 8.290 nan 0.000 0.568 644 E N 0.115 120.333 120.200 0.030 0.000 2.333 644 E HA -0.082 4.269 4.350 0.001 0.000 0.198 644 E C 0.986 177.585 176.600 -0.001 0.000 1.007 644 E CA 0.702 57.112 56.400 0.016 0.000 0.845 644 E CB 0.214 29.916 29.700 0.005 0.000 0.766 644 E HN 0.439 nan 8.360 nan 0.000 0.507 645 N N 0.287 118.981 118.700 -0.010 0.000 2.143 645 N HA -0.008 4.733 4.740 0.001 0.000 0.222 645 N C -0.361 175.118 175.510 -0.050 0.000 1.264 645 N CA -0.023 53.010 53.050 -0.029 0.000 0.897 645 N CB 0.678 39.151 38.487 -0.023 0.000 1.092 645 N HN 0.143 nan 8.380 nan 0.000 0.516 646 E N 1.635 121.805 120.200 -0.050 0.000 2.467 646 E HA -0.093 4.257 4.350 0.001 0.000 0.264 646 E C -0.332 176.169 176.600 -0.164 0.000 1.020 646 E CA 0.330 56.676 56.400 -0.089 0.000 0.945 646 E CB 0.680 30.339 29.700 -0.068 0.000 0.942 646 E HN -0.076 nan 8.360 nan 0.000 0.449 647 E N 3.333 123.432 120.200 -0.169 0.000 2.174 647 E HA 0.131 4.482 4.350 0.001 0.000 0.282 647 E C -0.248 176.180 176.600 -0.287 0.000 0.992 647 E CA -0.309 55.974 56.400 -0.194 0.000 0.803 647 E CB 1.613 31.234 29.700 -0.132 0.000 1.090 647 E HN 0.436 nan 8.360 nan 0.000 0.396 648 V N 1.824 121.511 119.914 -0.378 0.000 3.176 648 V HA 0.368 4.488 4.120 0.001 0.000 0.332 648 V C 1.459 177.311 176.094 -0.404 0.000 1.414 648 V CA 0.453 62.436 62.300 -0.529 0.000 1.133 648 V CB 0.110 31.368 31.823 -0.942 0.000 1.088 648 V HN 0.552 nan 8.190 nan 0.000 0.473 649 A N 2.651 125.297 122.820 -0.290 0.000 1.909 649 A HA -0.301 4.019 4.320 0.001 0.000 0.221 649 A C 1.712 179.090 177.584 -0.343 0.000 1.223 649 A CA 2.747 54.629 52.037 -0.258 0.000 0.658 649 A CB -0.691 18.210 19.000 -0.164 0.000 0.831 649 A HN 0.889 nan 8.150 nan 0.000 0.462 650 D N -2.391 117.846 120.400 -0.270 0.000 2.525 650 D HA 0.200 4.841 4.640 0.001 0.000 0.229 650 D C 0.992 177.171 176.300 -0.201 0.000 1.202 650 D CA -0.141 53.716 54.000 -0.239 0.000 0.828 650 D CB -0.128 40.670 40.800 -0.004 0.000 1.008 650 D HN 0.503 nan 8.370 nan 0.000 0.493 651 R N -0.432 119.875 120.500 -0.322 0.000 2.446 651 R HA 0.484 4.825 4.340 0.001 0.000 0.254 651 R C 0.004 176.172 176.300 -0.220 0.000 0.918 651 R CA 0.079 56.073 56.100 -0.176 0.000 1.069 651 R CB 1.366 31.583 30.300 -0.138 0.000 1.194 651 R HN 0.140 nan 8.270 nan 0.000 0.534 652 A N 0.494 123.020 122.820 -0.490 0.000 2.398 652 A HA 0.680 5.001 4.320 0.001 0.000 0.301 652 A C -1.624 175.586 177.584 -0.622 0.000 1.041 652 A CA -0.473 51.321 52.037 -0.406 0.000 0.711 652 A CB 0.858 19.724 19.000 -0.223 0.000 1.240 652 A HN 0.129 nan 8.150 nan 0.000 0.420 653 Y N 0.447 120.560 120.300 -0.311 0.000 2.492 653 Y HA 0.532 5.082 4.550 0.001 0.000 0.346 653 Y C 1.086 176.964 175.900 -0.037 0.000 0.997 653 Y CA -0.293 57.729 58.100 -0.131 0.000 1.025 653 Y CB 2.282 40.717 38.460 -0.041 0.000 1.263 653 Y HN 0.827 nan 8.280 nan 0.000 0.454 654 T N -1.870 112.788 114.554 0.173 0.000 2.813 654 T HA 0.230 4.581 4.350 0.001 0.000 0.297 654 T C 1.409 176.207 174.700 0.162 0.000 1.036 654 T CA -0.038 62.136 62.100 0.124 0.000 1.044 654 T CB 1.057 69.974 68.868 0.080 0.000 0.993 654 T HN 0.875 nan 8.240 nan 0.000 0.535 655 G N 0.237 109.017 108.800 -0.034 0.000 2.446 655 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 655 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 655 G C 1.712 176.589 174.900 -0.039 0.000 1.168 655 G CA 0.529 45.412 45.100 -0.362 0.000 0.771 655 G HN 0.771 nan 8.290 nan 0.000 0.551 656 R N 0.268 120.793 120.500 0.041 0.000 2.080 656 R HA -0.073 4.268 4.340 0.001 0.000 0.236 656 R C 2.669 179.053 176.300 0.139 0.000 1.137 656 R CA 1.722 57.889 56.100 0.112 0.000 0.943 656 R CB -0.301 30.054 30.300 0.092 0.000 0.846 656 R HN 0.473 nan 8.270 nan 0.000 0.431 657 E N -0.455 119.854 120.200 0.182 0.000 2.118 657 E HA -0.233 4.118 4.350 0.001 0.000 0.195 657 E C 1.688 178.435 176.600 0.245 0.000 0.992 657 E CA 1.313 57.857 56.400 0.241 0.000 0.804 657 E CB -0.186 29.718 29.700 0.339 0.000 0.741 657 E HN 0.352 nan 8.360 nan 0.000 0.458 658 F N 1.634 121.635 119.950 0.086 0.000 2.186 658 F HA -0.180 4.347 4.527 0.001 0.000 0.299 658 F C 1.690 177.498 175.800 0.014 0.000 1.090 658 F CA 1.015 58.993 58.000 -0.036 0.000 1.307 658 F CB 0.242 39.309 39.000 0.112 0.000 1.019 658 F HN -0.108 nan 8.300 nan 0.000 0.489 659 D N 0.547 120.913 120.400 -0.056 0.000 2.144 659 D HA -0.168 4.473 4.640 0.001 0.000 0.200 659 D C 1.634 177.869 176.300 -0.109 0.000 0.978 659 D CA 1.255 55.184 54.000 -0.118 0.000 0.833 659 D CB -0.522 40.328 40.800 0.084 0.000 0.961 659 D HN 0.327 nan 8.370 nan 0.000 0.470 660 D N 0.152 120.532 120.400 -0.033 0.000 2.309 660 D HA -0.046 4.595 4.640 0.001 0.000 0.212 660 D C 0.682 176.952 176.300 -0.050 0.000 0.968 660 D CA 0.260 54.250 54.000 -0.016 0.000 0.882 660 D CB 0.034 40.854 40.800 0.033 0.000 0.918 660 D HN 0.263 nan 8.370 nan 0.000 0.503 661 L N 1.126 122.279 121.223 -0.117 0.000 2.417 661 L HA 0.221 4.562 4.340 0.001 0.000 0.268 661 L C -1.925 174.873 176.870 -0.120 0.000 1.158 661 L CA -1.889 52.881 54.840 -0.116 0.000 0.819 661 L CB 0.141 42.096 42.059 -0.172 0.000 1.112 661 L HN -0.281 nan 8.230 nan 0.000 0.458 662 P HA -0.085 nan 4.420 nan 0.000 0.266 662 P C 0.538 177.783 177.300 -0.092 0.000 1.186 662 P CA -0.132 62.930 63.100 -0.063 0.000 0.767 662 P CB 0.471 32.148 31.700 -0.039 0.000 0.820 663 L N 2.521 123.704 121.223 -0.066 0.000 2.191 663 L HA -0.195 4.146 4.340 0.001 0.000 0.212 663 L C 2.290 179.115 176.870 -0.075 0.000 1.103 663 L CA 2.182 56.989 54.840 -0.054 0.000 0.769 663 L CB -1.511 40.551 42.059 0.006 0.000 0.908 663 L HN 0.435 nan 8.230 nan 0.000 0.438 664 A N -1.038 121.748 122.820 -0.057 0.000 1.897 664 A HA -0.166 4.154 4.320 0.001 0.000 0.215 664 A C 2.255 179.799 177.584 -0.066 0.000 1.181 664 A CA 1.366 53.374 52.037 -0.048 0.000 0.620 664 A CB -0.355 18.633 19.000 -0.021 0.000 0.821 664 A HN 0.462 nan 8.150 nan 0.000 0.443 665 E N -0.388 119.769 120.200 -0.071 0.000 2.208 665 E HA -0.162 4.189 4.350 0.001 0.000 0.193 665 E C 2.197 178.737 176.600 -0.099 0.000 0.988 665 E CA 0.797 57.163 56.400 -0.057 0.000 0.828 665 E CB -0.137 29.538 29.700 -0.041 0.000 0.763 665 E HN 0.697 nan 8.360 nan 0.000 0.478 666 Q N 0.408 120.080 119.800 -0.212 0.000 2.096 666 Q HA -0.196 4.144 4.340 0.001 0.000 0.204 666 Q C 2.218 177.977 176.000 -0.402 0.000 0.982 666 Q CA 1.196 56.813 55.803 -0.309 0.000 0.850 666 Q CB -0.134 28.229 28.738 -0.626 0.000 0.901 666 Q HN 0.119 nan 8.270 nan 0.000 0.422 667 R N 0.589 120.775 120.500 -0.522 0.000 2.066 667 R HA -0.189 4.151 4.340 0.001 0.000 0.232 667 R C 2.127 178.480 176.300 0.088 0.000 1.131 667 R CA 1.611 57.507 56.100 -0.341 0.000 0.955 667 R CB 0.021 30.234 30.300 -0.145 0.000 0.851 667 R HN 0.093 nan 8.270 nan 0.000 0.432 668 E N 0.316 120.566 120.200 0.083 0.000 2.150 668 E HA -0.082 4.269 4.350 0.001 0.000 0.193 668 E C 1.596 178.243 176.600 0.078 0.000 0.985 668 E CA 1.418 57.883 56.400 0.109 0.000 0.814 668 E CB -0.151 29.598 29.700 0.082 0.000 0.752 668 E HN 0.402 nan 8.360 nan 0.000 0.466 669 A N 0.108 122.978 122.820 0.083 0.000 1.908 669 A HA -0.229 4.092 4.320 0.001 0.000 0.218 669 A C 2.480 180.187 177.584 0.206 0.000 1.181 669 A CA 1.572 53.689 52.037 0.134 0.000 0.627 669 A CB -1.130 17.911 19.000 0.069 0.000 0.818 669 A HN 0.510 nan 8.150 nan 0.000 0.445 670 C N -1.066 118.341 119.300 0.178 0.000 2.422 670 C HA -0.012 4.449 4.460 0.001 0.000 0.286 670 C C 2.676 177.722 174.990 0.094 0.000 1.412 670 C CA 0.935 60.054 59.018 0.169 0.000 1.786 670 C CB -1.373 26.449 27.740 0.136 0.000 1.835 670 C HN 0.542 nan 8.230 nan 0.000 0.533 671 R N -0.422 120.083 120.500 0.009 0.000 2.237 671 R HA 0.078 4.418 4.340 0.001 0.000 0.195 671 R C 2.354 178.645 176.300 -0.015 0.000 0.956 671 R CA 0.117 56.160 56.100 -0.094 0.000 1.029 671 R CB -0.099 30.023 30.300 -0.296 0.000 0.972 671 R HN 0.487 nan 8.270 nan 0.000 0.493 672 R N 0.548 121.076 120.500 0.047 0.000 2.167 672 R HA 0.212 4.552 4.340 0.001 0.000 0.201 672 R C 0.057 176.414 176.300 0.095 0.000 1.024 672 R CA 0.432 56.570 56.100 0.063 0.000 1.053 672 R CB 0.513 30.859 30.300 0.077 0.000 0.987 672 R HN 0.030 nan 8.270 nan 0.000 0.493 673 A N -0.362 122.534 122.820 0.127 0.000 2.282 673 A HA 0.440 4.761 4.320 0.001 0.000 0.319 673 A C 0.023 177.648 177.584 0.070 0.000 1.121 673 A CA -0.628 51.454 52.037 0.075 0.000 0.836 673 A CB 1.391 20.378 19.000 -0.021 0.000 1.146 673 A HN 0.451 nan 8.150 nan 0.000 0.494 674 C N -0.198 119.124 119.300 0.038 0.000 3.785 674 C HA 0.388 4.849 4.460 0.001 0.000 0.312 674 C C 0.207 175.138 174.990 -0.097 0.000 1.566 674 C CA -0.354 58.650 59.018 -0.024 0.000 1.837 674 C CB -1.162 26.488 27.740 -0.150 0.000 2.826 674 C HN 0.826 nan 8.230 nan 0.000 0.667 675 C N 1.716 120.944 119.300 -0.120 0.000 2.505 675 C HA 0.739 5.199 4.460 0.001 0.000 0.342 675 C C -1.494 173.316 174.990 -0.301 0.000 1.121 675 C CA -0.473 58.491 59.018 -0.089 0.000 1.306 675 C CB -0.760 27.022 27.740 0.070 0.000 1.897 675 C HN 0.413 nan 8.230 nan 0.000 0.446 676 F N 4.823 124.775 119.950 0.004 0.000 2.449 676 F HA 0.730 5.257 4.527 0.001 0.000 0.342 676 F C 0.582 176.371 175.800 -0.018 0.000 1.127 676 F CA -0.101 57.891 58.000 -0.015 0.000 0.975 676 F CB 1.680 40.616 39.000 -0.107 0.000 1.146 676 F HN 0.827 nan 8.300 nan 0.000 0.444 677 A N 2.521 125.414 122.820 0.122 0.000 2.346 677 A HA 0.806 5.127 4.320 0.001 0.000 0.313 677 A C 0.383 177.991 177.584 0.042 0.000 1.140 677 A CA -1.190 50.887 52.037 0.067 0.000 0.826 677 A CB 0.947 19.970 19.000 0.037 0.000 1.332 677 A HN 0.847 nan 8.150 nan 0.000 0.457 678 R N -1.033 119.484 120.500 0.029 0.000 3.251 678 R HA -0.123 4.218 4.340 0.001 0.000 0.249 678 R C -1.124 175.175 176.300 -0.001 0.000 0.949 678 R CA 0.506 56.618 56.100 0.019 0.000 0.645 678 R CB -1.770 28.544 30.300 0.023 0.000 1.065 678 R HN 0.526 nan 8.270 nan 0.000 0.452 679 V N 1.096 121.019 119.914 0.014 0.000 2.732 679 V HA 0.337 4.457 4.120 0.001 0.000 0.310 679 V C 0.573 176.760 176.094 0.155 0.000 1.053 679 V CA -0.540 61.778 62.300 0.029 0.000 0.957 679 V CB 1.970 33.817 31.823 0.040 0.000 1.018 679 V HN 0.312 nan 8.190 nan 0.000 0.452 680 E N 4.166 124.609 120.200 0.406 0.000 2.254 680 E HA 0.306 4.656 4.350 0.001 0.000 0.261 680 E C -1.920 174.724 176.600 0.073 0.000 1.051 680 E CA -1.669 54.824 56.400 0.155 0.000 0.902 680 E CB 1.003 30.743 29.700 0.067 0.000 1.168 680 E HN 0.360 nan 8.360 nan 0.000 0.423 681 P HA -0.156 nan 4.420 nan 0.000 0.216 681 P C 1.120 178.395 177.300 -0.041 0.000 1.150 681 P CA 1.362 64.439 63.100 -0.037 0.000 0.843 681 P CB 0.194 31.851 31.700 -0.071 0.000 0.787 682 S N -1.454 114.193 115.700 -0.088 0.000 2.383 682 S HA -0.214 4.256 4.470 0.001 0.000 0.229 682 S C 1.687 176.227 174.600 -0.099 0.000 1.030 682 S CA 1.362 59.486 58.200 -0.126 0.000 1.002 682 S CB -1.230 61.846 63.200 -0.208 0.000 0.829 682 S HN 0.395 nan 8.310 nan 0.000 0.467 683 H N 1.390 120.462 119.070 0.003 0.000 2.387 683 H HA -0.006 4.551 4.556 0.001 0.000 0.299 683 H C 2.206 177.514 175.328 -0.034 0.000 1.099 683 H CA 1.380 57.450 56.048 0.037 0.000 1.315 683 H CB 0.048 29.851 29.762 0.069 0.000 1.380 683 H HN 0.315 nan 8.280 nan 0.000 0.513 684 K N 0.241 120.681 120.400 0.066 0.000 2.057 684 K HA -0.101 4.219 4.320 0.001 0.000 0.206 684 K C 2.438 179.014 176.600 -0.039 0.000 1.050 684 K CA 1.502 57.781 56.287 -0.014 0.000 0.935 684 K CB -0.047 32.447 32.500 -0.009 0.000 0.715 684 K HN 0.334 nan 8.250 nan 0.000 0.439 685 S N 1.763 117.441 115.700 -0.036 0.000 2.383 685 S HA -0.152 4.319 4.470 0.001 0.000 0.227 685 S C 2.067 176.624 174.600 -0.070 0.000 1.026 685 S CA 1.121 59.289 58.200 -0.053 0.000 0.981 685 S CB -0.176 62.989 63.200 -0.058 0.000 0.818 685 S HN 0.220 nan 8.310 nan 0.000 0.472 686 K N 1.398 121.761 120.400 -0.061 0.000 2.063 686 K HA -0.029 4.292 4.320 0.001 0.000 0.208 686 K C 1.951 178.524 176.600 -0.046 0.000 1.048 686 K CA 1.687 57.920 56.287 -0.091 0.000 0.928 686 K CB -0.445 32.067 32.500 0.020 0.000 0.713 686 K HN 0.490 nan 8.250 nan 0.000 0.442 687 I N -0.005 120.561 120.570 -0.007 0.000 2.252 687 I HA -0.231 3.940 4.170 0.001 0.000 0.245 687 I C 2.065 178.179 176.117 -0.005 0.000 1.102 687 I CA 0.677 61.945 61.300 -0.054 0.000 1.385 687 I CB -0.112 37.628 38.000 -0.433 0.000 1.064 687 I HN -0.019 nan 8.210 nan 0.000 0.414 688 V N 0.799 120.688 119.914 -0.041 0.000 2.407 688 V HA -0.304 3.817 4.120 0.001 0.000 0.248 688 V C 2.483 178.576 176.094 -0.002 0.000 1.055 688 V CA 2.139 64.429 62.300 -0.017 0.000 1.049 688 V CB -0.581 31.224 31.823 -0.030 0.000 0.662 688 V HN 0.481 nan 8.190 nan 0.000 0.455 689 E N -0.842 119.327 120.200 -0.052 0.000 2.047 689 E HA -0.224 4.127 4.350 0.001 0.000 0.191 689 E C 2.170 178.749 176.600 -0.034 0.000 0.987 689 E CA 1.592 57.937 56.400 -0.091 0.000 0.799 689 E CB -0.298 29.284 29.700 -0.196 0.000 0.752 689 E HN 0.715 nan 8.360 nan 0.000 0.449 690 Y N -0.044 120.284 120.300 0.047 0.000 2.097 690 Y HA -0.275 4.276 4.550 0.001 0.000 0.282 690 Y C 2.300 178.298 175.900 0.164 0.000 1.152 690 Y CA 0.541 58.696 58.100 0.091 0.000 1.136 690 Y CB -0.129 38.423 38.460 0.152 0.000 0.975 690 Y HN 0.158 nan 8.280 nan 0.000 0.498 691 L N 0.405 121.819 121.223 0.317 0.000 2.021 691 L HA -0.331 4.010 4.340 0.001 0.000 0.215 691 L C 2.219 179.229 176.870 0.235 0.000 1.074 691 L CA 1.864 56.861 54.840 0.261 0.000 0.760 691 L CB -1.343 40.791 42.059 0.124 0.000 0.889 691 L HN 0.362 nan 8.230 nan 0.000 0.433 692 Q N -1.374 118.506 119.800 0.133 0.000 2.364 692 Q HA -0.111 4.229 4.340 0.001 0.000 0.207 692 Q C 1.914 177.960 176.000 0.076 0.000 0.970 692 Q CA 1.260 57.112 55.803 0.083 0.000 0.888 692 Q CB -0.086 28.670 28.738 0.031 0.000 0.951 692 Q HN 0.637 nan 8.270 nan 0.000 0.469 693 S N -1.171 114.573 115.700 0.074 0.000 2.631 693 S HA -0.003 4.468 4.470 0.001 0.000 0.217 693 S C 0.641 175.158 174.600 -0.138 0.000 0.958 693 S CA -0.103 58.080 58.200 -0.028 0.000 0.920 693 S CB 0.032 63.203 63.200 -0.048 0.000 0.776 693 S HN 0.345 nan 8.310 nan 0.000 0.517 694 Y N 1.394 121.727 120.300 0.054 0.000 2.555 694 Y HA 0.299 4.849 4.550 0.001 0.000 0.259 694 Y C 0.369 176.284 175.900 0.025 0.000 1.179 694 Y CA -0.600 57.524 58.100 0.040 0.000 1.230 694 Y CB 0.234 38.719 38.460 0.041 0.000 1.146 694 Y HN 0.190 nan 8.280 nan 0.000 0.526 695 D N 0.170 120.648 120.400 0.131 0.000 3.076 695 D HA -0.205 4.435 4.640 0.001 0.000 0.218 695 D C -0.469 175.876 176.300 0.076 0.000 1.156 695 D CA 0.827 54.874 54.000 0.079 0.000 0.921 695 D CB -0.943 39.892 40.800 0.058 0.000 1.113 695 D HN 0.519 nan 8.370 nan 0.000 0.418 696 E N 0.503 120.767 120.200 0.106 0.000 2.415 696 E HA 0.088 4.438 4.350 0.001 0.000 0.263 696 E C 0.909 177.531 176.600 0.037 0.000 0.995 696 E CA -0.093 56.345 56.400 0.063 0.000 0.915 696 E CB 0.999 30.741 29.700 0.070 0.000 0.951 696 E HN 0.161 nan 8.360 nan 0.000 0.449 697 I N 3.399 123.975 120.570 0.010 0.000 2.379 697 I HA 0.014 4.185 4.170 0.001 0.000 0.290 697 I C 0.823 176.938 176.117 -0.003 0.000 1.063 697 I CA 0.342 61.639 61.300 -0.004 0.000 1.351 697 I CB 0.175 38.160 38.000 -0.026 0.000 1.410 697 I HN 0.445 nan 8.210 nan 0.000 0.505 698 T N 4.408 118.962 114.554 0.000 0.000 2.863 698 T HA 0.823 5.174 4.350 0.001 0.000 0.285 698 T C -0.395 174.299 174.700 -0.009 0.000 1.009 698 T CA -0.646 61.454 62.100 0.000 0.000 0.989 698 T CB 1.922 70.798 68.868 0.013 0.000 1.004 698 T HN 0.639 nan 8.240 nan 0.000 0.455 699 A N 3.851 126.664 122.820 -0.011 0.000 2.306 699 A HA 0.856 5.176 4.320 0.001 0.000 0.330 699 A C -0.336 177.242 177.584 -0.010 0.000 1.146 699 A CA -0.994 51.032 52.037 -0.019 0.000 0.827 699 A CB 1.214 20.195 19.000 -0.031 0.000 1.178 699 A HN 0.998 nan 8.150 nan 0.000 0.490 700 M N 1.187 120.778 119.600 -0.014 0.000 2.395 700 M HA 0.587 5.068 4.480 0.001 0.000 0.307 700 M C -0.994 175.303 176.300 -0.005 0.000 1.091 700 M CA 0.192 55.490 55.300 -0.003 0.000 0.919 700 M CB 2.134 34.730 32.600 -0.008 0.000 1.662 700 M HN 0.537 nan 8.290 nan 0.000 0.440 701 T N 3.288 117.855 114.554 0.021 0.000 2.807 701 T HA 0.939 5.290 4.350 0.001 0.000 0.279 701 T C -0.295 174.438 174.700 0.054 0.000 0.993 701 T CA -0.542 61.576 62.100 0.031 0.000 0.970 701 T CB 1.491 70.406 68.868 0.078 0.000 0.950 701 T HN 0.935 nan 8.240 nan 0.000 0.441 702 G N 0.917 109.740 108.800 0.040 0.000 2.548 702 G HA2 0.564 4.524 3.960 0.001 0.000 0.301 702 G HA3 0.564 4.524 3.960 0.001 0.000 0.301 702 G C -1.076 173.843 174.900 0.032 0.000 1.349 702 G CA -0.687 44.436 45.100 0.038 0.000 0.792 702 G HN 0.584 nan 8.290 nan 0.000 0.481 703 D N -1.687 118.730 120.400 0.028 0.000 2.460 703 D HA 0.206 4.846 4.640 0.001 0.000 0.263 703 D C 0.882 177.196 176.300 0.023 0.000 1.209 703 D CA 0.664 54.681 54.000 0.028 0.000 0.818 703 D CB 0.418 41.239 40.800 0.034 0.000 1.239 703 D HN 0.819 nan 8.370 nan 0.000 0.530 704 G N 0.583 109.390 108.800 0.011 0.000 2.471 704 G HA2 0.444 4.404 3.960 0.001 0.000 0.332 704 G HA3 0.444 4.404 3.960 0.001 0.000 0.332 704 G C 1.096 175.982 174.900 -0.023 0.000 1.176 704 G CA -0.426 44.672 45.100 -0.003 0.000 0.949 704 G HN -0.087 nan 8.290 nan 0.000 0.488 705 V N 1.403 121.281 119.914 -0.061 0.000 2.380 705 V HA -0.222 3.898 4.120 0.001 0.000 0.251 705 V C 2.731 178.771 176.094 -0.090 0.000 1.063 705 V CA 2.062 64.299 62.300 -0.106 0.000 1.055 705 V CB -0.567 31.101 31.823 -0.259 0.000 0.657 705 V HN 0.882 nan 8.190 nan 0.000 0.455 706 N N -0.220 118.430 118.700 -0.083 0.000 2.573 706 N HA -0.161 4.579 4.740 0.001 0.000 0.187 706 N C 0.974 176.460 175.510 -0.040 0.000 1.107 706 N CA 1.316 54.325 53.050 -0.067 0.000 0.918 706 N CB -0.354 38.097 38.487 -0.059 0.000 0.966 706 N HN 0.468 nan 8.380 nan 0.000 0.448 707 D N 0.411 120.793 120.400 -0.030 0.000 2.367 707 D HA 0.188 4.828 4.640 0.001 0.000 0.207 707 D C 1.727 178.014 176.300 -0.021 0.000 1.034 707 D CA 0.311 54.301 54.000 -0.017 0.000 0.861 707 D CB 0.266 41.063 40.800 -0.005 0.000 0.943 707 D HN 0.348 nan 8.370 nan 0.000 0.515 708 A N 2.125 124.929 122.820 -0.027 0.000 1.883 708 A HA -0.132 4.188 4.320 0.001 0.000 0.217 708 A C -0.223 177.346 177.584 -0.025 0.000 1.186 708 A CA 1.363 53.387 52.037 -0.023 0.000 0.624 708 A CB -1.425 17.561 19.000 -0.023 0.000 0.822 708 A HN 0.157 nan 8.150 nan 0.000 0.444 709 P HA -0.141 nan 4.420 nan 0.000 0.215 709 P C 1.809 179.089 177.300 -0.032 0.000 1.157 709 P CA 2.094 65.173 63.100 -0.035 0.000 0.868 709 P CB -0.169 31.505 31.700 -0.044 0.000 0.788 710 A N -0.762 122.040 122.820 -0.030 0.000 1.933 710 A HA -0.175 4.145 4.320 0.001 0.000 0.218 710 A C 2.231 179.801 177.584 -0.023 0.000 1.175 710 A CA 1.472 53.492 52.037 -0.028 0.000 0.628 710 A CB -1.724 17.262 19.000 -0.024 0.000 0.814 710 A HN 0.102 nan 8.150 nan 0.000 0.444 711 L N -0.706 120.505 121.223 -0.020 0.000 2.042 711 L HA -0.219 4.122 4.340 0.001 0.000 0.210 711 L C 2.633 179.490 176.870 -0.021 0.000 1.076 711 L CA 1.686 56.516 54.840 -0.018 0.000 0.749 711 L CB -0.395 41.655 42.059 -0.015 0.000 0.893 711 L HN 0.333 nan 8.230 nan 0.000 0.432 712 K N -0.115 120.272 120.400 -0.022 0.000 2.103 712 K HA -0.187 4.133 4.320 0.001 0.000 0.204 712 K C 2.181 178.767 176.600 -0.024 0.000 1.052 712 K CA 0.993 57.266 56.287 -0.022 0.000 0.945 712 K CB 0.023 32.510 32.500 -0.022 0.000 0.722 712 K HN 0.003 nan 8.250 nan 0.000 0.443 713 K N 1.147 121.530 120.400 -0.028 0.000 2.155 713 K HA 0.024 4.345 4.320 0.001 0.000 0.203 713 K C 0.390 176.975 176.600 -0.025 0.000 1.052 713 K CA 0.504 56.773 56.287 -0.030 0.000 0.948 713 K CB -0.163 32.314 32.500 -0.038 0.000 0.728 713 K HN 0.109 nan 8.250 nan 0.000 0.448 714 A N 0.812 123.619 122.820 -0.022 0.000 2.466 714 A HA 0.048 4.369 4.320 0.001 0.000 0.238 714 A C 0.818 178.392 177.584 -0.017 0.000 1.074 714 A CA -0.069 51.957 52.037 -0.018 0.000 0.774 714 A CB 0.152 19.142 19.000 -0.018 0.000 1.015 714 A HN 0.365 nan 8.150 nan 0.000 0.498 715 E N -0.123 120.069 120.200 -0.014 0.000 2.085 715 E HA -0.111 4.240 4.350 0.001 0.000 0.194 715 E C 0.512 177.100 176.600 -0.020 0.000 0.994 715 E CA 1.722 58.113 56.400 -0.015 0.000 0.801 715 E CB -0.040 29.651 29.700 -0.014 0.000 0.743 715 E HN 0.608 nan 8.360 nan 0.000 0.453 716 I N -0.325 120.231 120.570 -0.023 0.000 2.478 716 I HA 0.457 4.628 4.170 0.001 0.000 0.287 716 I C -0.456 175.643 176.117 -0.031 0.000 1.042 716 I CA -0.816 60.467 61.300 -0.028 0.000 1.067 716 I CB 1.628 39.609 38.000 -0.033 0.000 1.233 716 I HN -0.018 nan 8.210 nan 0.000 0.431 717 G N 8.109 116.891 108.800 -0.030 0.000 2.332 717 G HA2 0.645 4.605 3.960 0.001 0.000 0.310 717 G HA3 0.645 4.605 3.960 0.001 0.000 0.310 717 G C -0.845 174.034 174.900 -0.036 0.000 1.123 717 G CA -0.532 44.550 45.100 -0.029 0.000 0.873 717 G HN 0.589 nan 8.290 nan 0.000 0.460 718 I N 1.770 122.317 120.570 -0.038 0.000 2.447 718 I HA 0.506 4.676 4.170 0.001 0.000 0.287 718 I C 0.303 176.400 176.117 -0.034 0.000 1.023 718 I CA -0.796 60.473 61.300 -0.051 0.000 1.083 718 I CB 2.072 40.019 38.000 -0.088 0.000 1.245 718 I HN 0.551 nan 8.210 nan 0.000 0.434 719 A N 7.436 130.240 122.820 -0.027 0.000 2.325 719 A HA 0.836 5.156 4.320 0.001 0.000 0.333 719 A C -0.232 177.349 177.584 -0.005 0.000 1.155 719 A CA -0.722 51.309 52.037 -0.009 0.000 0.814 719 A CB 1.127 20.125 19.000 -0.005 0.000 1.206 719 A HN 0.600 nan 8.150 nan 0.000 0.482 720 M N 2.096 121.704 119.600 0.014 0.000 2.217 720 M HA 0.178 4.659 4.480 0.001 0.000 0.354 720 M C 1.602 177.911 176.300 0.015 0.000 1.225 720 M CA -0.100 55.213 55.300 0.022 0.000 1.137 720 M CB 0.236 32.861 32.600 0.042 0.000 1.576 720 M HN 0.936 nan 8.290 nan 0.000 0.461 721 G N 1.803 110.610 108.800 0.011 0.000 2.469 721 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 721 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 721 G C 1.231 176.139 174.900 0.013 0.000 1.136 721 G CA 1.381 46.486 45.100 0.008 0.000 0.759 721 G HN 0.754 nan 8.290 nan 0.000 0.562 722 S N -0.030 115.682 115.700 0.020 0.000 2.597 722 S HA 0.501 4.971 4.470 0.001 0.000 0.224 722 S C 1.175 175.792 174.600 0.028 0.000 0.955 722 S CA 0.270 58.483 58.200 0.022 0.000 0.933 722 S CB 0.344 63.558 63.200 0.024 0.000 0.788 722 S HN 0.494 nan 8.310 nan 0.000 0.488 723 G N 1.560 110.377 108.800 0.029 0.000 2.510 723 G HA2 0.478 4.439 3.960 0.001 0.000 0.280 723 G HA3 0.478 4.439 3.960 0.001 0.000 0.280 723 G C 0.008 174.933 174.900 0.042 0.000 1.386 723 G CA -0.183 44.939 45.100 0.036 0.000 1.047 723 G HN 0.491 nan 8.290 nan 0.000 0.527 724 T N -2.401 112.185 114.554 0.053 0.000 2.918 724 T HA 0.410 4.760 4.350 0.001 0.000 0.302 724 T C 1.629 176.366 174.700 0.062 0.000 1.045 724 T CA 0.352 62.498 62.100 0.077 0.000 1.114 724 T CB 1.413 70.345 68.868 0.108 0.000 0.965 724 T HN 0.879 nan 8.240 nan 0.000 0.540 725 A N 2.260 125.119 122.820 0.065 0.000 1.940 725 A HA -0.029 4.291 4.320 0.001 0.000 0.219 725 A C 2.361 179.977 177.584 0.055 0.000 1.176 725 A CA 1.616 53.681 52.037 0.046 0.000 0.631 725 A CB -1.151 17.869 19.000 0.032 0.000 0.814 725 A HN 0.757 nan 8.150 nan 0.000 0.446 726 V N -0.327 119.643 119.914 0.093 0.000 2.295 726 V HA -0.253 3.868 4.120 0.001 0.000 0.246 726 V C 3.065 179.183 176.094 0.040 0.000 1.049 726 V CA 2.022 64.371 62.300 0.081 0.000 1.024 726 V CB -1.175 30.717 31.823 0.116 0.000 0.648 726 V HN 0.630 nan 8.190 nan 0.000 0.447 727 A N -0.362 122.479 122.820 0.034 0.000 1.902 727 A HA -0.226 4.094 4.320 0.001 0.000 0.217 727 A C 2.269 179.859 177.584 0.010 0.000 1.181 727 A CA 1.904 53.950 52.037 0.016 0.000 0.623 727 A CB -0.419 18.590 19.000 0.015 0.000 0.818 727 A HN 0.558 nan 8.150 nan 0.000 0.443 728 K N -0.485 119.923 120.400 0.014 0.000 2.032 728 K HA -0.135 4.185 4.320 0.001 0.000 0.209 728 K C 2.138 178.737 176.600 -0.002 0.000 1.048 728 K CA 1.883 58.172 56.287 0.003 0.000 0.927 728 K CB -0.546 31.956 32.500 0.004 0.000 0.712 728 K HN 0.706 nan 8.250 nan 0.000 0.441 729 T N -1.328 113.229 114.554 0.004 0.000 3.072 729 T HA 0.068 4.418 4.350 0.001 0.000 0.266 729 T C 1.748 176.445 174.700 -0.005 0.000 1.127 729 T CA 0.787 62.886 62.100 -0.002 0.000 1.107 729 T CB 0.033 68.904 68.868 0.005 0.000 0.910 729 T HN 0.156 nan 8.240 nan 0.000 0.513 730 A N 0.562 123.380 122.820 -0.003 0.000 2.251 730 A HA 0.516 4.836 4.320 0.001 0.000 0.209 730 A C 1.382 178.957 177.584 -0.015 0.000 1.187 730 A CA -0.325 51.707 52.037 -0.009 0.000 0.823 730 A CB -0.027 18.969 19.000 -0.007 0.000 0.846 730 A HN 0.461 nan 8.150 nan 0.000 0.486 731 S N -0.984 114.706 115.700 -0.018 0.000 2.745 731 S HA 0.422 4.892 4.470 0.001 0.000 0.292 731 S C 0.472 175.053 174.600 -0.031 0.000 1.133 731 S CA -0.393 57.793 58.200 -0.024 0.000 0.998 731 S CB 1.344 64.530 63.200 -0.023 0.000 1.087 731 S HN 0.349 nan 8.310 nan 0.000 0.551 732 E N 0.155 120.333 120.200 -0.035 0.000 2.431 732 E HA 0.318 4.668 4.350 0.001 0.000 0.200 732 E C 0.018 176.591 176.600 -0.044 0.000 0.995 732 E CA 0.232 56.608 56.400 -0.041 0.000 0.915 732 E CB 0.498 30.174 29.700 -0.039 0.000 0.930 732 E HN 0.475 nan 8.360 nan 0.000 0.496 733 M N 0.137 119.711 119.600 -0.043 0.000 2.470 733 M HA 0.441 4.922 4.480 0.001 0.000 0.285 733 M C -1.897 174.378 176.300 -0.042 0.000 1.213 733 M CA -0.802 54.471 55.300 -0.045 0.000 0.901 733 M CB 1.954 34.523 32.600 -0.052 0.000 1.718 733 M HN -0.278 nan 8.290 nan 0.000 0.469 734 V N 4.809 124.700 119.914 -0.038 0.000 2.531 734 V HA 0.438 4.559 4.120 0.001 0.000 0.301 734 V C -0.685 175.389 176.094 -0.033 0.000 1.034 734 V CA -0.689 61.593 62.300 -0.031 0.000 0.865 734 V CB 1.969 33.780 31.823 -0.021 0.000 0.995 734 V HN 0.802 nan 8.190 nan 0.000 0.424 735 L N 4.143 125.346 121.223 -0.035 0.000 2.312 735 L HA 0.410 4.750 4.340 0.001 0.000 0.287 735 L C 1.529 178.392 176.870 -0.012 0.000 1.091 735 L CA -0.189 54.632 54.840 -0.032 0.000 0.846 735 L CB 0.868 42.900 42.059 -0.044 0.000 1.219 735 L HN 0.820 nan 8.230 nan 0.000 0.439 736 A N 2.301 125.115 122.820 -0.009 0.000 2.067 736 A HA -0.144 4.177 4.320 0.001 0.000 0.219 736 A C 1.408 178.995 177.584 0.005 0.000 1.158 736 A CA 1.424 53.460 52.037 -0.002 0.000 0.661 736 A CB -0.272 18.727 19.000 -0.003 0.000 0.801 736 A HN 0.850 nan 8.150 nan 0.000 0.452 737 D N -2.468 117.936 120.400 0.008 0.000 2.440 737 D HA 0.152 4.792 4.640 0.001 0.000 0.216 737 D C -0.379 175.936 176.300 0.025 0.000 1.150 737 D CA 0.277 54.287 54.000 0.016 0.000 0.832 737 D CB -0.194 40.615 40.800 0.015 0.000 0.992 737 D HN 0.160 nan 8.370 nan 0.000 0.502 738 D N -0.092 120.324 120.400 0.026 0.000 3.059 738 D HA -0.214 4.426 4.640 0.001 0.000 0.220 738 D C -0.392 175.949 176.300 0.069 0.000 1.169 738 D CA 0.648 54.676 54.000 0.046 0.000 0.902 738 D CB -1.738 39.091 40.800 0.047 0.000 1.116 738 D HN 0.369 nan 8.370 nan 0.000 0.417 739 N N 0.156 118.885 118.700 0.048 0.000 2.402 739 N HA 0.104 4.844 4.740 0.001 0.000 0.252 739 N C 0.605 176.162 175.510 0.078 0.000 1.118 739 N CA -0.158 52.931 53.050 0.065 0.000 0.945 739 N CB -0.103 38.405 38.487 0.035 0.000 1.147 739 N HN -0.005 nan 8.380 nan 0.000 0.495 740 F N 2.716 122.659 119.950 -0.012 0.000 2.216 740 F HA -0.149 4.378 4.527 0.001 0.000 0.300 740 F C 2.199 177.991 175.800 -0.014 0.000 1.085 740 F CA 1.128 59.119 58.000 -0.015 0.000 1.326 740 F CB 0.057 39.045 39.000 -0.019 0.000 1.027 740 F HN 0.477 nan 8.300 nan 0.000 0.497 741 S N -0.742 115.038 115.700 0.133 0.000 2.423 741 S HA -0.233 4.238 4.470 0.001 0.000 0.238 741 S C 1.948 176.535 174.600 -0.022 0.000 1.028 741 S CA 1.749 59.984 58.200 0.057 0.000 1.000 741 S CB -0.577 62.654 63.200 0.052 0.000 0.797 741 S HN 0.453 nan 8.310 nan 0.000 0.487 742 T N 2.083 116.605 114.554 -0.054 0.000 2.915 742 T HA 0.069 4.420 4.350 0.001 0.000 0.269 742 T C 1.629 176.263 174.700 -0.110 0.000 1.071 742 T CA 0.779 62.839 62.100 -0.068 0.000 1.132 742 T CB -0.302 68.529 68.868 -0.063 0.000 0.878 742 T HN 0.382 nan 8.240 nan 0.000 0.479 743 I N 0.779 121.229 120.570 -0.200 0.000 2.208 743 I HA -0.164 4.006 4.170 0.001 0.000 0.245 743 I C 2.405 178.443 176.117 -0.131 0.000 1.097 743 I CA 0.939 62.102 61.300 -0.229 0.000 1.363 743 I CB -0.482 37.255 38.000 -0.439 0.000 1.051 743 I HN 0.095 nan 8.210 nan 0.000 0.413 744 V N 1.041 120.900 119.914 -0.091 0.000 2.343 744 V HA -0.300 3.821 4.120 0.001 0.000 0.247 744 V C 2.721 178.794 176.094 -0.035 0.000 1.051 744 V CA 2.014 64.290 62.300 -0.040 0.000 1.036 744 V CB -1.049 30.771 31.823 -0.005 0.000 0.654 744 V HN 0.506 nan 8.190 nan 0.000 0.451 745 A N 0.009 122.807 122.820 -0.036 0.000 1.902 745 A HA -0.089 4.232 4.320 0.001 0.000 0.217 745 A C 2.427 179.993 177.584 -0.031 0.000 1.181 745 A CA 1.990 54.010 52.037 -0.027 0.000 0.623 745 A CB -0.761 18.224 19.000 -0.025 0.000 0.818 745 A HN 0.567 nan 8.150 nan 0.000 0.443 746 A N -0.565 122.227 122.820 -0.045 0.000 1.933 746 A HA 0.010 4.331 4.320 0.001 0.000 0.218 746 A C 2.220 179.784 177.584 -0.034 0.000 1.175 746 A CA 1.742 53.754 52.037 -0.042 0.000 0.628 746 A CB -0.865 18.099 19.000 -0.061 0.000 0.814 746 A HN 0.368 nan 8.150 nan 0.000 0.444 747 V N 0.026 119.917 119.914 -0.039 0.000 2.295 747 V HA -0.291 3.829 4.120 0.001 0.000 0.246 747 V C 2.546 178.631 176.094 -0.015 0.000 1.049 747 V CA 2.401 64.683 62.300 -0.030 0.000 1.024 747 V CB -0.724 31.079 31.823 -0.033 0.000 0.648 747 V HN 0.821 nan 8.190 nan 0.000 0.447 748 E N 0.242 120.434 120.200 -0.013 0.000 2.058 748 E HA -0.325 4.026 4.350 0.001 0.000 0.194 748 E C 2.174 178.776 176.600 0.004 0.000 0.997 748 E CA 1.811 58.209 56.400 -0.003 0.000 0.801 748 E CB -0.170 29.527 29.700 -0.005 0.000 0.746 748 E HN 0.589 nan 8.360 nan 0.000 0.450 749 E N -0.096 120.103 120.200 -0.002 0.000 2.097 749 E HA -0.148 4.203 4.350 0.001 0.000 0.196 749 E C 1.884 178.498 176.600 0.022 0.000 1.000 749 E CA 1.790 58.193 56.400 0.005 0.000 0.804 749 E CB -0.789 28.910 29.700 -0.001 0.000 0.740 749 E HN 0.383 nan 8.360 nan 0.000 0.454 750 G N -0.098 108.713 108.800 0.019 0.000 2.422 750 G HA2 -0.249 3.711 3.960 0.001 0.000 0.218 750 G HA3 -0.249 3.711 3.960 0.001 0.000 0.218 750 G C 1.616 176.554 174.900 0.063 0.000 1.140 750 G CA 0.719 45.840 45.100 0.034 0.000 0.775 750 G HN 0.200 nan 8.290 nan 0.000 0.545 751 R N 0.402 120.930 120.500 0.047 0.000 2.075 751 R HA 0.167 4.507 4.340 0.001 0.000 0.226 751 R C 3.049 179.409 176.300 0.101 0.000 1.114 751 R CA 0.886 57.030 56.100 0.075 0.000 0.972 751 R CB -0.371 29.950 30.300 0.035 0.000 0.869 751 R HN 0.308 nan 8.270 nan 0.000 0.437 752 A N 1.779 124.635 122.820 0.060 0.000 1.873 752 A HA -0.193 4.128 4.320 0.001 0.000 0.218 752 A C 2.185 179.805 177.584 0.060 0.000 1.193 752 A CA 1.450 53.517 52.037 0.049 0.000 0.629 752 A CB -0.646 18.369 19.000 0.024 0.000 0.826 752 A HN 0.184 nan 8.150 nan 0.000 0.447 753 I N -2.087 118.526 120.570 0.071 0.000 2.208 753 I HA -0.288 3.882 4.170 0.001 0.000 0.245 753 I C 2.484 178.632 176.117 0.052 0.000 1.097 753 I CA 1.938 63.285 61.300 0.078 0.000 1.363 753 I CB -0.406 37.647 38.000 0.088 0.000 1.051 753 I HN 0.588 nan 8.210 nan 0.000 0.413 754 Y N 2.152 122.438 120.300 -0.024 0.000 2.181 754 Y HA -0.293 4.257 4.550 0.001 0.000 0.288 754 Y C 2.370 178.224 175.900 -0.077 0.000 1.146 754 Y CA 1.785 59.853 58.100 -0.053 0.000 1.164 754 Y CB -0.205 38.232 38.460 -0.037 0.000 0.982 754 Y HN 0.190 nan 8.280 nan 0.000 0.515 755 N N 0.691 119.347 118.700 -0.074 0.000 2.084 755 N HA -0.180 4.561 4.740 0.001 0.000 0.190 755 N C 1.264 176.649 175.510 -0.209 0.000 1.030 755 N CA 1.618 54.583 53.050 -0.142 0.000 0.849 755 N CB -0.611 37.880 38.487 0.007 0.000 1.012 755 N HN 0.452 nan 8.380 nan 0.000 0.423 756 N N 0.766 119.389 118.700 -0.127 0.000 2.142 756 N HA -0.016 4.725 4.740 0.001 0.000 0.186 756 N C 1.798 177.075 175.510 -0.388 0.000 1.023 756 N CA 0.719 53.721 53.050 -0.079 0.000 0.852 756 N CB -0.307 38.245 38.487 0.108 0.000 0.998 756 N HN 0.280 nan 8.380 nan 0.000 0.424 757 M N 1.236 120.476 119.600 -0.601 0.000 2.180 757 M HA -0.248 4.232 4.480 0.001 0.000 0.260 757 M C 2.176 177.802 176.300 -1.123 0.000 1.071 757 M CA 1.870 56.381 55.300 -1.315 0.000 1.096 757 M CB -0.562 31.636 32.600 -0.669 0.000 1.276 757 M HN 0.203 nan 8.290 nan 0.000 0.426 758 K N 0.983 120.925 120.400 -0.764 0.000 2.127 758 K HA -0.284 4.037 4.320 0.001 0.000 0.208 758 K C 1.763 178.149 176.600 -0.357 0.000 1.047 758 K CA 2.237 58.191 56.287 -0.555 0.000 0.927 758 K CB -0.615 31.529 32.500 -0.593 0.000 0.716 758 K HN 0.655 nan 8.250 nan 0.000 0.450 759 Q N 0.558 120.175 119.800 -0.304 0.000 2.212 759 Q HA -0.091 4.250 4.340 0.001 0.000 0.199 759 Q C 2.000 178.001 176.000 0.002 0.000 0.950 759 Q CA 0.730 56.469 55.803 -0.106 0.000 0.863 759 Q CB -0.398 28.312 28.738 -0.047 0.000 0.944 759 Q HN 0.541 nan 8.270 nan 0.000 0.465 760 F N -0.055 119.890 119.950 -0.008 0.000 2.661 760 F HA 0.252 4.779 4.527 0.001 0.000 0.298 760 F C 1.467 177.284 175.800 0.027 0.000 1.137 760 F CA -0.056 57.970 58.000 0.044 0.000 1.454 760 F CB -0.324 38.688 39.000 0.021 0.000 1.103 760 F HN -0.007 nan 8.300 nan 0.000 0.577 761 I N 0.137 120.703 120.570 -0.007 0.000 2.716 761 I HA -0.083 4.087 4.170 0.001 0.000 0.259 761 I C 2.435 178.510 176.117 -0.070 0.000 1.172 761 I CA 0.616 61.907 61.300 -0.016 0.000 1.478 761 I CB -0.273 37.609 38.000 -0.196 0.000 1.104 761 I HN 0.066 nan 8.210 nan 0.000 0.439 762 R N -0.150 120.318 120.500 -0.053 0.000 2.057 762 R HA -0.184 4.157 4.340 0.001 0.000 0.229 762 R C 2.381 178.589 176.300 -0.154 0.000 1.136 762 R CA 1.576 57.625 56.100 -0.084 0.000 0.952 762 R CB -0.622 29.723 30.300 0.074 0.000 0.848 762 R HN 0.248 nan 8.270 nan 0.000 0.430 763 Y N 1.640 121.880 120.300 -0.101 0.000 2.114 763 Y HA -0.230 4.321 4.550 0.001 0.000 0.282 763 Y C 1.790 177.619 175.900 -0.119 0.000 1.165 763 Y CA 1.559 59.604 58.100 -0.092 0.000 1.148 763 Y CB -0.332 38.123 38.460 -0.008 0.000 0.972 763 Y HN -0.011 nan 8.280 nan 0.000 0.504 764 L N -0.894 120.198 121.223 -0.218 0.000 2.201 764 L HA -0.151 4.189 4.340 0.001 0.000 0.212 764 L C 2.146 178.848 176.870 -0.280 0.000 1.105 764 L CA 0.813 55.477 54.840 -0.292 0.000 0.775 764 L CB -0.327 41.691 42.059 -0.069 0.000 0.913 764 L HN 0.311 nan 8.230 nan 0.000 0.440 765 I N -0.850 119.545 120.570 -0.292 0.000 2.731 765 I HA -0.159 4.011 4.170 0.001 0.000 0.260 765 I C 2.666 178.536 176.117 -0.410 0.000 1.138 765 I CA 1.120 62.247 61.300 -0.288 0.000 1.461 765 I CB -0.065 37.771 38.000 -0.273 0.000 1.128 765 I HN 0.196 nan 8.210 nan 0.000 0.438 766 S N -0.549 114.749 115.700 -0.671 0.000 2.387 766 S HA -0.270 4.201 4.470 0.001 0.000 0.230 766 S C 2.273 176.673 174.600 -0.335 0.000 1.035 766 S CA 1.810 59.615 58.200 -0.658 0.000 1.014 766 S CB -1.266 61.580 63.200 -0.589 0.000 0.836 766 S HN 0.573 nan 8.310 nan 0.000 0.466 767 S N 3.113 118.606 115.700 -0.344 0.000 2.363 767 S HA -0.223 4.247 4.470 0.001 0.000 0.218 767 S C 1.906 176.409 174.600 -0.163 0.000 1.035 767 S CA 1.541 59.585 58.200 -0.260 0.000 1.043 767 S CB -1.293 61.709 63.200 -0.330 0.000 0.986 767 S HN 0.699 nan 8.310 nan 0.000 0.423 768 N N 0.750 119.366 118.700 -0.140 0.000 2.503 768 N HA -0.095 4.646 4.740 0.001 0.000 0.189 768 N C 1.634 177.124 175.510 -0.033 0.000 1.048 768 N CA 1.208 54.222 53.050 -0.061 0.000 0.905 768 N CB -0.271 38.203 38.487 -0.020 0.000 0.951 768 N HN 0.328 nan 8.380 nan 0.000 0.446 769 V N 0.587 120.465 119.914 -0.060 0.000 2.300 769 V HA -0.067 4.054 4.120 0.001 0.000 0.241 769 V C 2.569 178.651 176.094 -0.020 0.000 1.034 769 V CA 1.892 64.178 62.300 -0.023 0.000 1.021 769 V CB -1.041 30.767 31.823 -0.024 0.000 0.662 769 V HN 0.269 nan 8.190 nan 0.000 0.458 770 G N -0.380 108.393 108.800 -0.044 0.000 2.476 770 G HA2 -0.296 3.664 3.960 0.001 0.000 0.218 770 G HA3 -0.296 3.664 3.960 0.001 0.000 0.218 770 G C 1.399 176.290 174.900 -0.016 0.000 1.164 770 G CA 1.230 46.309 45.100 -0.035 0.000 0.768 770 G HN 0.581 nan 8.290 nan 0.000 0.560 771 E N -0.235 119.952 120.200 -0.022 0.000 2.049 771 E HA -0.157 4.193 4.350 0.001 0.000 0.198 771 E C 2.756 179.374 176.600 0.029 0.000 1.007 771 E CA 1.417 57.817 56.400 0.000 0.000 0.809 771 E CB -0.282 29.415 29.700 -0.005 0.000 0.749 771 E HN 0.308 nan 8.360 nan 0.000 0.450 772 V N 0.926 120.858 119.914 0.029 0.000 2.255 772 V HA -0.263 3.858 4.120 0.001 0.000 0.247 772 V C 2.399 178.548 176.094 0.091 0.000 1.051 772 V CA 1.586 63.916 62.300 0.050 0.000 1.018 772 V CB -0.517 31.320 31.823 0.022 0.000 0.641 772 V HN 0.152 nan 8.190 nan 0.000 0.445 773 V N -0.601 119.354 119.914 0.068 0.000 2.370 773 V HA -0.364 3.756 4.120 0.001 0.000 0.252 773 V C 2.558 178.741 176.094 0.148 0.000 1.068 773 V CA 2.402 64.767 62.300 0.109 0.000 1.061 773 V CB -0.897 30.965 31.823 0.066 0.000 0.656 773 V HN 0.822 nan 8.190 nan 0.000 0.455 774 C N 0.243 119.600 119.300 0.094 0.000 2.489 774 C HA -0.028 4.432 4.460 0.001 0.000 0.279 774 C C 2.419 177.471 174.990 0.102 0.000 1.266 774 C CA 0.411 59.478 59.018 0.081 0.000 1.707 774 C CB -0.920 26.843 27.740 0.038 0.000 2.059 774 C HN 0.526 nan 8.230 nan 0.000 0.481 775 I N 0.792 121.424 120.570 0.103 0.000 3.164 775 I HA -0.027 4.144 4.170 0.001 0.000 0.278 775 I C 1.798 178.014 176.117 0.166 0.000 1.320 775 I CA 1.374 62.734 61.300 0.100 0.000 1.422 775 I CB -1.743 36.301 38.000 0.074 0.000 1.066 775 I HN 0.434 nan 8.210 nan 0.000 0.503 776 F N 0.342 120.313 119.950 0.034 0.000 2.592 776 F HA 0.182 4.709 4.527 0.001 0.000 0.280 776 F C 2.085 177.923 175.800 0.063 0.000 1.083 776 F CA 0.409 58.438 58.000 0.048 0.000 1.365 776 F CB 0.113 39.142 39.000 0.048 0.000 1.100 776 F HN -0.184 nan 8.300 nan 0.000 0.633 777 L N -0.415 120.884 121.223 0.128 0.000 1.994 777 L HA -0.185 4.155 4.340 0.001 0.000 0.208 777 L C 1.908 178.773 176.870 -0.009 0.000 1.071 777 L CA 1.896 56.761 54.840 0.042 0.000 0.745 777 L CB -0.964 41.148 42.059 0.089 0.000 0.892 777 L HN 0.068 nan 8.230 nan 0.000 0.431 778 T N -1.103 113.472 114.554 0.034 0.000 3.565 778 T HA 0.315 4.665 4.350 0.001 0.000 0.248 778 T C 0.664 175.412 174.700 0.080 0.000 1.033 778 T CA 0.659 62.793 62.100 0.056 0.000 0.952 778 T CB -0.113 68.798 68.868 0.073 0.000 1.072 778 T HN 0.429 nan 8.240 nan 0.000 0.609 779 A N -0.336 122.485 122.820 0.002 0.000 1.773 779 A HA 0.709 5.030 4.320 0.001 0.000 0.210 779 A C 2.216 179.776 177.584 -0.041 0.000 1.775 779 A CA 0.681 52.736 52.037 0.030 0.000 1.157 779 A CB -0.908 18.071 19.000 -0.035 0.000 1.119 779 A HN 0.484 nan 8.150 nan 0.000 0.501 780 A N -0.006 122.642 122.820 -0.287 0.000 1.873 780 A HA 0.077 4.397 4.320 0.001 0.000 0.215 780 A C 1.820 179.367 177.584 -0.060 0.000 1.186 780 A CA 1.753 53.627 52.037 -0.271 0.000 0.616 780 A CB -0.588 18.075 19.000 -0.562 0.000 0.823 780 A HN 0.408 nan 8.150 nan 0.000 0.442 781 L N -0.852 120.316 121.223 -0.092 0.000 2.362 781 L HA 0.118 4.458 4.340 0.001 0.000 0.219 781 L C 1.689 178.446 176.870 -0.189 0.000 1.134 781 L CA 1.302 56.082 54.840 -0.099 0.000 0.807 781 L CB -0.952 41.057 42.059 -0.084 0.000 0.927 781 L HN 0.710 nan 8.230 nan 0.000 0.447 782 G N -0.513 108.216 108.800 -0.119 0.000 2.248 782 G HA2 -0.241 3.719 3.960 0.001 0.000 0.252 782 G HA3 -0.241 3.719 3.960 0.001 0.000 0.252 782 G C 0.013 174.867 174.900 -0.077 0.000 1.085 782 G CA 0.056 45.021 45.100 -0.224 0.000 0.845 782 G HN 0.236 nan 8.290 nan 0.000 0.494 783 L N -0.242 121.057 121.223 0.126 0.000 2.358 783 L HA 0.581 4.921 4.340 0.001 0.000 0.268 783 L C -1.953 175.147 176.870 0.384 0.000 1.032 783 L CA -2.680 52.298 54.840 0.230 0.000 0.805 783 L CB 1.618 43.709 42.059 0.053 0.000 1.253 783 L HN -0.114 nan 8.230 nan 0.000 0.452 784 P HA 0.083 nan 4.420 nan 0.000 0.279 784 P C -1.015 176.316 177.300 0.051 0.000 1.318 784 P CA -0.437 62.617 63.100 -0.076 0.000 0.819 784 P CB 0.197 31.782 31.700 -0.192 0.000 0.927 785 E N 2.564 122.824 120.200 0.099 0.000 3.379 785 E HA -0.192 4.158 4.350 0.001 0.000 0.257 785 E C 1.150 177.780 176.600 0.049 0.000 0.882 785 E CA 0.157 56.598 56.400 0.069 0.000 0.962 785 E CB 0.296 30.019 29.700 0.038 0.000 0.900 785 E HN 0.462 nan 8.360 nan 0.000 0.560 786 A N 4.777 127.629 122.820 0.054 0.000 2.015 786 A HA -0.021 4.300 4.320 0.001 0.000 0.219 786 A C 0.766 178.364 177.584 0.024 0.000 1.163 786 A CA 0.918 52.984 52.037 0.048 0.000 0.646 786 A CB 0.200 19.232 19.000 0.052 0.000 0.806 786 A HN 0.495 nan 8.150 nan 0.000 0.448 787 L N -0.642 120.595 121.223 0.025 0.000 2.424 787 L HA 0.602 4.943 4.340 0.001 0.000 0.258 787 L C -0.717 176.167 176.870 0.023 0.000 0.995 787 L CA -0.944 53.911 54.840 0.024 0.000 0.821 787 L CB 2.324 44.401 42.059 0.031 0.000 1.383 787 L HN 0.411 nan 8.230 nan 0.000 0.410 788 I N -1.832 118.754 120.570 0.026 0.000 2.957 788 I HA 0.575 4.745 4.170 0.001 0.000 0.310 788 I C -2.252 173.886 176.117 0.034 0.000 1.063 788 I CA -2.244 59.067 61.300 0.017 0.000 1.033 788 I CB 1.952 39.952 38.000 -0.001 0.000 1.230 788 I HN 0.269 nan 8.210 nan 0.000 0.447 789 P HA -0.200 nan 4.420 nan 0.000 0.217 789 P C 1.750 179.089 177.300 0.064 0.000 1.162 789 P CA 1.450 64.575 63.100 0.042 0.000 0.901 789 P CB -0.018 31.699 31.700 0.029 0.000 0.793 790 V N -0.707 119.223 119.914 0.026 0.000 2.688 790 V HA -0.273 3.848 4.120 0.001 0.000 0.256 790 V C 2.302 178.499 176.094 0.171 0.000 1.084 790 V CA 1.877 64.178 62.300 0.001 0.000 1.103 790 V CB -1.366 30.339 31.823 -0.197 0.000 0.688 790 V HN 0.267 nan 8.190 nan 0.000 0.480 791 Q N -0.542 119.383 119.800 0.208 0.000 2.134 791 Q HA 0.061 4.401 4.340 0.001 0.000 0.195 791 Q C 2.292 178.462 176.000 0.284 0.000 0.958 791 Q CA 0.869 56.869 55.803 0.328 0.000 0.840 791 Q CB -0.201 28.662 28.738 0.208 0.000 0.918 791 Q HN 0.473 nan 8.270 nan 0.000 0.467 792 L N 0.817 122.143 121.223 0.172 0.000 2.013 792 L HA -0.245 4.095 4.340 0.001 0.000 0.212 792 L C 2.395 179.348 176.870 0.140 0.000 1.073 792 L CA 1.223 56.137 54.840 0.123 0.000 0.753 792 L CB -0.613 41.492 42.059 0.075 0.000 0.890 792 L HN 0.244 nan 8.230 nan 0.000 0.432 793 L N -1.208 120.112 121.223 0.162 0.000 2.043 793 L HA -0.307 4.033 4.340 0.001 0.000 0.212 793 L C 2.521 179.514 176.870 0.206 0.000 1.075 793 L CA 1.697 56.632 54.840 0.157 0.000 0.752 793 L CB -0.648 41.509 42.059 0.163 0.000 0.891 793 L HN 0.551 nan 8.230 nan 0.000 0.432 794 W N 0.416 121.810 121.300 0.156 0.000 2.355 794 W HA -0.189 4.471 4.660 0.001 0.000 0.309 794 W C 2.197 178.752 176.519 0.061 0.000 1.206 794 W CA 1.845 59.278 57.345 0.147 0.000 1.284 794 W CB -0.203 29.381 29.460 0.207 0.000 1.145 794 W HN -0.054 nan 8.180 nan 0.000 0.502 795 V N 2.108 122.121 119.914 0.165 0.000 2.233 795 V HA -0.395 3.726 4.120 0.001 0.000 0.247 795 V C 2.258 178.291 176.094 -0.103 0.000 1.050 795 V CA 2.444 64.755 62.300 0.018 0.000 1.010 795 V CB -1.295 30.566 31.823 0.063 0.000 0.637 795 V HN 0.159 nan 8.190 nan 0.000 0.444 796 N N -0.290 118.372 118.700 -0.062 0.000 2.289 796 N HA -0.105 4.635 4.740 0.001 0.000 0.184 796 N C 1.537 176.974 175.510 -0.122 0.000 1.016 796 N CA 1.145 54.142 53.050 -0.088 0.000 0.872 796 N CB -0.225 38.235 38.487 -0.045 0.000 0.973 796 N HN 0.383 nan 8.380 nan 0.000 0.433 797 L N -0.589 120.542 121.223 -0.153 0.000 2.298 797 L HA 0.140 4.480 4.340 0.001 0.000 0.209 797 L C 1.546 178.231 176.870 -0.308 0.000 1.084 797 L CA 0.644 55.371 54.840 -0.187 0.000 0.816 797 L CB 0.436 42.413 42.059 -0.137 0.000 0.967 797 L HN -0.153 nan 8.230 nan 0.000 0.460 798 V N -2.914 116.708 119.914 -0.487 0.000 3.161 798 V HA -0.012 4.109 4.120 0.001 0.000 0.221 798 V C 2.078 177.905 176.094 -0.444 0.000 1.296 798 V CA 1.136 63.052 62.300 -0.640 0.000 1.306 798 V CB 0.268 31.260 31.823 -1.384 0.000 1.171 798 V HN 0.205 nan 8.190 nan 0.000 0.513 799 T N 0.732 115.026 114.554 -0.434 0.000 2.635 799 T HA -0.221 4.130 4.350 0.001 0.000 0.267 799 T C 1.417 176.064 174.700 -0.089 0.000 1.040 799 T CA 2.202 64.207 62.100 -0.158 0.000 1.156 799 T CB -0.303 68.538 68.868 -0.044 0.000 0.863 799 T HN 0.393 nan 8.240 nan 0.000 0.430 800 D N 0.333 120.670 120.400 -0.105 0.000 2.289 800 D HA 0.133 4.773 4.640 0.001 0.000 0.207 800 D C 2.243 178.530 176.300 -0.022 0.000 0.966 800 D CA 0.626 54.605 54.000 -0.035 0.000 0.868 800 D CB -0.734 39.965 40.800 -0.169 0.000 0.943 800 D HN 0.436 nan 8.370 nan 0.000 0.514 801 G N 1.930 110.654 108.800 -0.127 0.000 2.628 801 G HA2 -0.253 3.707 3.960 0.001 0.000 0.217 801 G HA3 -0.253 3.707 3.960 0.001 0.000 0.217 801 G C 1.503 176.320 174.900 -0.138 0.000 1.240 801 G CA 0.553 45.561 45.100 -0.154 0.000 0.792 801 G HN 0.143 nan 8.290 nan 0.000 0.593 802 L N 1.823 122.968 121.223 -0.130 0.000 1.978 802 L HA -0.085 4.256 4.340 0.001 0.000 0.218 802 L C 0.580 177.392 176.870 -0.096 0.000 1.075 802 L CA 2.170 56.941 54.840 -0.116 0.000 0.767 802 L CB -2.433 39.577 42.059 -0.081 0.000 0.890 802 L HN 0.212 nan 8.230 nan 0.000 0.434 803 P HA -0.126 nan 4.420 nan 0.000 0.216 803 P C 1.665 178.899 177.300 -0.111 0.000 1.150 803 P CA 1.935 64.996 63.100 -0.065 0.000 0.837 803 P CB -0.044 31.663 31.700 0.013 0.000 0.786 804 A N -0.837 121.989 122.820 0.011 0.000 1.902 804 A HA -0.171 4.150 4.320 0.001 0.000 0.217 804 A C 2.239 179.637 177.584 -0.309 0.000 1.181 804 A CA 2.376 54.387 52.037 -0.044 0.000 0.623 804 A CB -1.923 17.049 19.000 -0.047 0.000 0.818 804 A HN 0.164 nan 8.150 nan 0.000 0.443 805 T N 0.179 114.536 114.554 -0.327 0.000 2.915 805 T HA 0.064 4.415 4.350 0.001 0.000 0.269 805 T C 2.095 176.627 174.700 -0.280 0.000 1.071 805 T CA 1.207 63.077 62.100 -0.384 0.000 1.132 805 T CB -0.305 68.353 68.868 -0.349 0.000 0.878 805 T HN 0.583 nan 8.240 nan 0.000 0.479 806 A N 1.370 124.087 122.820 -0.172 0.000 1.898 806 A HA 0.071 4.392 4.320 0.001 0.000 0.216 806 A C 2.224 179.835 177.584 0.046 0.000 1.181 806 A CA 0.998 53.000 52.037 -0.058 0.000 0.620 806 A CB -0.694 18.295 19.000 -0.019 0.000 0.819 806 A HN 0.482 nan 8.150 nan 0.000 0.442 807 L N -0.575 120.656 121.223 0.013 0.000 2.141 807 L HA -0.082 4.258 4.340 0.001 0.000 0.209 807 L C 2.500 179.509 176.870 0.232 0.000 1.094 807 L CA 0.843 55.744 54.840 0.101 0.000 0.763 807 L CB -0.685 41.425 42.059 0.086 0.000 0.908 807 L HN 0.476 nan 8.230 nan 0.000 0.437 808 G N -1.293 107.668 108.800 0.269 0.000 2.807 808 G HA2 -0.192 3.768 3.960 0.001 0.000 0.207 808 G HA3 -0.192 3.768 3.960 0.001 0.000 0.207 808 G C 0.784 175.942 174.900 0.430 0.000 1.151 808 G CA 0.080 45.405 45.100 0.375 0.000 0.800 808 G HN 0.243 nan 8.290 nan 0.000 0.523 809 F N 0.182 120.156 119.950 0.040 0.000 2.772 809 F HA 0.324 4.851 4.527 0.001 0.000 0.316 809 F C 0.774 176.622 175.800 0.081 0.000 1.114 809 F CA -1.881 56.128 58.000 0.015 0.000 1.191 809 F CB -0.338 38.624 39.000 -0.063 0.000 1.065 809 F HN 0.001 nan 8.300 nan 0.000 0.534 810 N N 1.826 120.645 118.700 0.199 0.000 2.453 810 N HA 0.152 4.892 4.740 0.001 0.000 0.253 810 N C -2.510 173.040 175.510 0.067 0.000 1.252 810 N CA -1.052 52.072 53.050 0.124 0.000 0.917 810 N CB 0.281 38.822 38.487 0.090 0.000 1.117 810 N HN -0.138 nan 8.380 nan 0.000 0.442 811 P HA 0.149 nan 4.420 nan 0.000 0.276 811 P C -2.395 174.916 177.300 0.019 0.000 1.235 811 P CA -0.957 62.159 63.100 0.027 0.000 0.772 811 P CB 0.059 31.779 31.700 0.035 0.000 0.871 812 P HA 0.072 nan 4.420 nan 0.000 0.268 812 P C -0.287 177.020 177.300 0.012 0.000 1.208 812 P CA 0.158 63.265 63.100 0.012 0.000 0.777 812 P CB 0.600 32.303 31.700 0.005 0.000 0.875 813 D N 0.531 120.939 120.400 0.014 0.000 2.354 813 D HA 0.037 4.678 4.640 0.001 0.000 0.238 813 D C 1.393 177.698 176.300 0.008 0.000 1.250 813 D CA -0.060 53.946 54.000 0.011 0.000 0.911 813 D CB 0.294 41.102 40.800 0.013 0.000 1.163 813 D HN 0.150 nan 8.370 nan 0.000 0.456 814 L N 0.305 121.531 121.223 0.006 0.000 2.354 814 L HA 0.077 4.418 4.340 0.001 0.000 0.212 814 L C 1.455 178.327 176.870 0.003 0.000 1.091 814 L CA 0.586 55.428 54.840 0.004 0.000 0.828 814 L CB -0.588 41.473 42.059 0.003 0.000 0.973 814 L HN 0.335 nan 8.230 nan 0.000 0.461 815 D N -0.583 119.819 120.400 0.003 0.000 2.342 815 D HA -0.027 4.614 4.640 0.001 0.000 0.221 815 D C 1.833 178.136 176.300 0.005 0.000 1.101 815 D CA -0.134 53.867 54.000 0.002 0.000 0.837 815 D CB -0.011 40.789 40.800 0.000 0.000 0.938 815 D HN 0.131 nan 8.370 nan 0.000 0.508 816 I N 0.513 121.087 120.570 0.007 0.000 2.399 816 I HA -0.144 4.027 4.170 0.001 0.000 0.254 816 I C 1.328 177.449 176.117 0.006 0.000 1.146 816 I CA 1.064 62.371 61.300 0.011 0.000 1.412 816 I CB -0.192 37.817 38.000 0.015 0.000 1.076 816 I HN 0.041 nan 8.210 nan 0.000 0.432 817 M N -0.888 118.714 119.600 0.003 0.000 2.484 817 M HA 0.164 4.645 4.480 0.001 0.000 0.307 817 M C 0.287 176.587 176.300 -0.001 0.000 1.149 817 M CA 0.292 55.592 55.300 -0.000 0.000 0.972 817 M CB -0.305 32.295 32.600 -0.000 0.000 1.400 817 M HN 0.021 nan 8.290 nan 0.000 0.508 818 D N 0.002 120.402 120.400 -0.001 0.000 2.469 818 D HA 0.146 4.786 4.640 0.001 0.000 0.213 818 D C 0.545 176.843 176.300 -0.003 0.000 1.135 818 D CA 0.169 54.168 54.000 -0.002 0.000 0.834 818 D CB 0.923 41.722 40.800 -0.002 0.000 1.009 818 D HN 0.139 nan 8.370 nan 0.000 0.507 819 R N 1.841 122.339 120.500 -0.003 0.000 2.500 819 R HA 0.374 4.714 4.340 0.001 0.000 0.275 819 R C -2.253 174.042 176.300 -0.009 0.000 1.051 819 R CA -1.598 54.499 56.100 -0.004 0.000 1.088 819 R CB -0.269 30.031 30.300 -0.001 0.000 1.063 819 R HN 0.017 nan 8.270 nan 0.000 0.511 820 P HA 0.181 nan 4.420 nan 0.000 0.272 820 P C -2.458 174.827 177.300 -0.024 0.000 1.240 820 P CA -1.426 61.664 63.100 -0.016 0.000 0.791 820 P CB -0.463 31.228 31.700 -0.014 0.000 0.978 821 P HA 0.072 nan 4.420 nan 0.000 0.265 821 P C 0.193 177.457 177.300 -0.060 0.000 1.193 821 P CA 0.125 63.194 63.100 -0.051 0.000 0.765 821 P CB 0.190 31.861 31.700 -0.050 0.000 0.823 822 R N 1.634 122.079 120.500 -0.092 0.000 2.698 822 R HA 0.190 4.531 4.340 0.001 0.000 0.266 822 R C 0.266 176.511 176.300 -0.091 0.000 1.026 822 R CA -0.229 55.813 56.100 -0.097 0.000 1.102 822 R CB 0.040 30.239 30.300 -0.168 0.000 0.978 822 R HN 0.392 nan 8.270 nan 0.000 0.436 823 S N 3.028 118.696 115.700 -0.053 0.000 2.560 823 S HA 0.105 4.575 4.470 0.001 0.000 0.284 823 S C -1.497 173.073 174.600 -0.049 0.000 1.327 823 S CA -1.318 56.861 58.200 -0.035 0.000 1.055 823 S CB 0.828 64.023 63.200 -0.008 0.000 0.868 823 S HN 0.688 nan 8.310 nan 0.000 0.506 824 P HA -0.021 nan 4.420 nan 0.000 0.219 824 P C 1.029 178.325 177.300 -0.008 0.000 1.150 824 P CA 0.941 64.021 63.100 -0.034 0.000 0.814 824 P CB 0.123 31.815 31.700 -0.014 0.000 0.787 825 K N 0.189 120.592 120.400 0.005 0.000 2.155 825 K HA -0.069 4.252 4.320 0.001 0.000 0.203 825 K C 0.836 177.453 176.600 0.028 0.000 1.052 825 K CA 0.225 56.523 56.287 0.019 0.000 0.948 825 K CB -0.771 31.741 32.500 0.020 0.000 0.728 825 K HN 0.364 nan 8.250 nan 0.000 0.448 826 E N 2.585 122.800 120.200 0.026 0.000 3.131 826 E HA -0.120 4.231 4.350 0.001 0.000 0.258 826 E C -2.043 174.599 176.600 0.069 0.000 0.901 826 E CA -0.872 55.556 56.400 0.047 0.000 0.964 826 E CB 0.482 30.209 29.700 0.046 0.000 0.903 826 E HN -0.036 nan 8.360 nan 0.000 0.537 827 P HA 0.017 nan 4.420 nan 0.000 0.339 827 P C 0.379 177.731 177.300 0.086 0.000 1.413 827 P CA 0.018 63.161 63.100 0.072 0.000 0.833 827 P CB 0.368 32.104 31.700 0.061 0.000 2.004 828 L N -2.441 118.824 121.223 0.070 0.000 3.128 828 L HA 0.329 4.669 4.340 0.001 0.000 0.277 828 L C -0.082 176.832 176.870 0.073 0.000 1.171 828 L CA -0.076 54.795 54.840 0.052 0.000 1.008 828 L CB 0.162 42.220 42.059 -0.002 0.000 1.442 828 L HN 0.235 nan 8.230 nan 0.000 0.584 829 I N -4.209 116.415 120.570 0.089 0.000 2.827 829 I HA 0.725 4.895 4.170 0.001 0.000 0.298 829 I C -0.650 175.524 176.117 0.095 0.000 1.235 829 I CA -0.864 60.499 61.300 0.104 0.000 1.021 829 I CB 2.129 40.219 38.000 0.149 0.000 1.259 829 I HN -0.185 nan 8.210 nan 0.000 0.427 830 S N 2.757 118.524 115.700 0.112 0.000 2.536 830 S HA 0.734 5.205 4.470 0.001 0.000 0.271 830 S C 0.731 175.426 174.600 0.158 0.000 1.134 830 S CA 0.091 58.356 58.200 0.108 0.000 0.897 830 S CB 1.179 64.437 63.200 0.097 0.000 1.094 830 S HN 2.018 nan 8.310 nan 0.000 0.473 831 G N 5.353 114.239 108.800 0.142 0.000 2.850 831 G HA2 -0.406 3.555 3.960 0.001 0.000 0.353 831 G HA3 -0.406 3.555 3.960 0.001 0.000 0.353 831 G C 1.437 176.499 174.900 0.270 0.000 0.983 831 G CA 1.402 46.617 45.100 0.192 0.000 0.832 831 G HN 1.022 nan 8.290 nan 0.000 0.889 832 W N 0.418 121.785 121.300 0.112 0.000 2.290 832 W HA -0.175 4.486 4.660 0.001 0.000 0.318 832 W C 2.337 178.906 176.519 0.085 0.000 1.248 832 W CA 2.449 59.864 57.345 0.117 0.000 1.263 832 W CB -0.519 28.990 29.460 0.082 0.000 1.147 832 W HN 0.358 nan 8.180 nan 0.000 0.494 833 L N 0.631 121.884 121.223 0.051 0.000 2.156 833 L HA -0.102 4.238 4.340 0.001 0.000 0.208 833 L C 2.462 179.111 176.870 -0.368 0.000 1.095 833 L CA 1.958 56.703 54.840 -0.158 0.000 0.770 833 L CB -1.595 40.489 42.059 0.042 0.000 0.914 833 L HN 0.036 nan 8.230 nan 0.000 0.439 834 F N -0.342 119.429 119.950 -0.298 0.000 2.031 834 F HA -0.280 4.248 4.527 0.001 0.000 0.295 834 F C 2.209 177.787 175.800 -0.370 0.000 1.133 834 F CA 1.891 59.688 58.000 -0.339 0.000 1.188 834 F CB -0.871 38.073 39.000 -0.093 0.000 0.974 834 F HN 0.136 nan 8.300 nan 0.000 0.473 835 F N 1.540 121.210 119.950 -0.466 0.000 2.641 835 F HA -0.004 4.524 4.527 0.001 0.000 0.298 835 F C 2.408 177.871 175.800 -0.562 0.000 1.146 835 F CA 1.139 58.827 58.000 -0.520 0.000 1.464 835 F CB -0.638 38.237 39.000 -0.210 0.000 1.101 835 F HN 0.019 nan 8.300 nan 0.000 0.585 836 R N 0.126 120.157 120.500 -0.783 0.000 2.070 836 R HA -0.234 4.107 4.340 0.001 0.000 0.233 836 R C 1.682 177.624 176.300 -0.597 0.000 1.137 836 R CA 2.432 58.033 56.100 -0.831 0.000 0.945 836 R CB -0.701 29.142 30.300 -0.761 0.000 0.845 836 R HN 0.477 nan 8.270 nan 0.000 0.430 837 Y N -2.346 117.706 120.300 -0.413 0.000 2.485 837 Y HA 0.377 4.927 4.550 0.001 0.000 0.260 837 Y C 1.219 176.911 175.900 -0.346 0.000 1.173 837 Y CA -0.576 57.338 58.100 -0.309 0.000 1.252 837 Y CB 0.083 38.434 38.460 -0.183 0.000 1.123 837 Y HN -0.057 nan 8.280 nan 0.000 0.524 838 M N 0.719 120.078 119.600 -0.403 0.000 2.492 838 M HA 0.155 4.635 4.480 0.001 0.000 0.262 838 M C 1.936 178.005 176.300 -0.384 0.000 1.090 838 M CA 0.880 55.952 55.300 -0.380 0.000 1.110 838 M CB -0.914 31.343 32.600 -0.571 0.000 1.407 838 M HN 0.573 nan 8.290 nan 0.000 0.470 839 A N 0.191 122.666 122.820 -0.574 0.000 1.887 839 A HA 0.024 4.345 4.320 0.001 0.000 0.212 839 A C 1.900 179.371 177.584 -0.188 0.000 1.198 839 A CA 0.543 52.289 52.037 -0.484 0.000 0.628 839 A CB -0.242 18.325 19.000 -0.721 0.000 0.847 839 A HN 0.313 nan 8.150 nan 0.000 0.449 840 I N 0.538 121.028 120.570 -0.134 0.000 2.493 840 I HA -0.139 4.031 4.170 0.001 0.000 0.254 840 I C 2.410 178.554 176.117 0.044 0.000 1.160 840 I CA 1.478 62.788 61.300 0.016 0.000 1.445 840 I CB -1.899 36.126 38.000 0.042 0.000 1.086 840 I HN 0.349 nan 8.210 nan 0.000 0.433 841 G N 0.584 109.380 108.800 -0.007 0.000 2.453 841 G HA2 -0.040 3.921 3.960 0.001 0.000 0.215 841 G HA3 -0.040 3.921 3.960 0.001 0.000 0.215 841 G C 1.701 176.601 174.900 0.001 0.000 1.147 841 G CA 0.597 45.690 45.100 -0.012 0.000 0.802 841 G HN 0.452 nan 8.290 nan 0.000 0.535 842 G N -0.393 108.407 108.800 -0.001 0.000 2.484 842 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 842 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 842 G C 1.507 176.469 174.900 0.103 0.000 1.130 842 G CA 0.936 46.059 45.100 0.038 0.000 0.784 842 G HN 0.376 nan 8.290 nan 0.000 0.543 843 Y N 0.896 121.174 120.300 -0.036 0.000 2.201 843 Y HA 0.041 4.591 4.550 0.001 0.000 0.292 843 Y C 2.649 178.543 175.900 -0.010 0.000 1.119 843 Y CA 1.117 59.204 58.100 -0.020 0.000 1.127 843 Y CB -0.698 37.742 38.460 -0.032 0.000 1.019 843 Y HN 0.035 nan 8.280 nan 0.000 0.514 844 V N 0.566 120.372 119.914 -0.181 0.000 2.261 844 V HA -0.155 3.965 4.120 0.001 0.000 0.246 844 V C 2.307 178.308 176.094 -0.156 0.000 1.047 844 V CA 2.649 64.795 62.300 -0.257 0.000 1.015 844 V CB -1.393 30.346 31.823 -0.140 0.000 0.642 844 V HN 0.536 nan 8.190 nan 0.000 0.446 845 G N -1.073 107.689 108.800 -0.063 0.000 2.475 845 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 845 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 845 G C 1.625 176.524 174.900 -0.001 0.000 1.125 845 G CA 1.373 46.466 45.100 -0.011 0.000 0.755 845 G HN 0.915 nan 8.290 nan 0.000 0.565 846 A N 0.767 123.579 122.820 -0.014 0.000 1.881 846 A HA 0.592 4.912 4.320 0.001 0.000 0.210 846 A C 2.716 180.281 177.584 -0.032 0.000 1.239 846 A CA 1.477 53.523 52.037 0.016 0.000 0.629 846 A CB -0.784 18.259 19.000 0.072 0.000 0.906 846 A HN 0.787 nan 8.150 nan 0.000 0.460 847 A N 0.136 122.864 122.820 -0.153 0.000 2.131 847 A HA -0.086 4.234 4.320 0.001 0.000 0.220 847 A C 2.221 179.718 177.584 -0.145 0.000 1.158 847 A CA 2.448 54.361 52.037 -0.207 0.000 0.665 847 A CB -1.127 17.527 19.000 -0.577 0.000 0.795 847 A HN 0.706 nan 8.150 nan 0.000 0.460 848 T N -3.372 111.113 114.554 -0.116 0.000 2.901 848 T HA -0.019 4.331 4.350 0.001 0.000 0.252 848 T C 1.596 176.296 174.700 0.001 0.000 1.035 848 T CA 1.126 63.187 62.100 -0.065 0.000 1.142 848 T CB -0.764 68.067 68.868 -0.062 0.000 0.869 848 T HN 0.094 nan 8.240 nan 0.000 0.442 849 V N 1.851 121.778 119.914 0.021 0.000 2.759 849 V HA 0.101 4.221 4.120 0.001 0.000 0.256 849 V C 2.804 178.953 176.094 0.092 0.000 1.080 849 V CA 1.576 63.911 62.300 0.059 0.000 1.101 849 V CB -1.248 30.609 31.823 0.057 0.000 0.698 849 V HN 0.714 nan 8.190 nan 0.000 0.477 850 G N -0.869 107.979 108.800 0.080 0.000 2.838 850 G HA2 0.212 4.172 3.960 0.001 0.000 0.210 850 G HA3 0.212 4.172 3.960 0.001 0.000 0.210 850 G C 1.378 176.383 174.900 0.175 0.000 1.153 850 G CA 0.754 45.930 45.100 0.126 0.000 0.778 850 G HN 0.576 nan 8.290 nan 0.000 0.539 851 A N 0.106 122.995 122.820 0.115 0.000 2.252 851 A HA 0.709 5.029 4.320 0.001 0.000 0.213 851 A C 2.317 180.061 177.584 0.267 0.000 1.188 851 A CA 1.243 53.348 52.037 0.113 0.000 0.863 851 A CB 0.025 18.976 19.000 -0.082 0.000 0.893 851 A HN 0.405 nan 8.150 nan 0.000 0.495 852 A N -0.068 122.890 122.820 0.231 0.000 1.911 852 A HA 0.416 4.737 4.320 0.001 0.000 0.212 852 A C 2.322 180.212 177.584 0.509 0.000 1.189 852 A CA 1.367 53.571 52.037 0.278 0.000 0.639 852 A CB -0.730 18.376 19.000 0.178 0.000 0.839 852 A HN 0.874 nan 8.150 nan 0.000 0.449 853 A N -1.391 121.681 122.820 0.421 0.000 2.014 853 A HA -0.066 4.254 4.320 0.001 0.000 0.218 853 A C 1.904 179.734 177.584 0.409 0.000 1.163 853 A CA 1.279 53.567 52.037 0.418 0.000 0.652 853 A CB -0.880 18.192 19.000 0.122 0.000 0.808 853 A HN 0.866 nan 8.150 nan 0.000 0.449 854 W N -0.438 120.981 121.300 0.198 0.000 2.321 854 W HA -0.254 4.406 4.660 0.001 0.000 0.306 854 W C 1.844 178.437 176.519 0.124 0.000 1.217 854 W CA 1.830 59.267 57.345 0.152 0.000 1.257 854 W CB -0.504 29.046 29.460 0.151 0.000 1.145 854 W HN 0.485 nan 8.180 nan 0.000 0.509 855 W N 0.590 121.943 121.300 0.089 0.000 2.468 855 W HA -0.140 4.520 4.660 0.001 0.000 0.262 855 W C 1.404 177.601 176.519 -0.536 0.000 1.241 855 W CA 1.873 58.993 57.345 -0.374 0.000 1.232 855 W CB -0.649 28.740 29.460 -0.118 0.000 1.124 855 W HN -0.033 nan 8.180 nan 0.000 0.597 856 F N -0.167 119.556 119.950 -0.380 0.000 2.085 856 F HA -0.060 4.467 4.527 0.001 0.000 0.284 856 F C 2.501 177.901 175.800 -0.668 0.000 1.127 856 F CA 1.900 59.553 58.000 -0.579 0.000 1.164 856 F CB -1.059 37.719 39.000 -0.370 0.000 1.035 856 F HN -0.260 nan 8.300 nan 0.000 0.481 857 M N -0.910 118.425 119.600 -0.441 0.000 2.136 857 M HA -0.104 4.377 4.480 0.001 0.000 0.249 857 M C 1.563 177.446 176.300 -0.695 0.000 1.146 857 M CA 1.600 56.458 55.300 -0.736 0.000 1.108 857 M CB -1.052 30.795 32.600 -1.256 0.000 1.199 857 M HN 0.024 nan 8.290 nan 0.000 0.439 858 Y N 0.611 120.680 120.300 -0.385 0.000 2.473 858 Y HA 0.389 4.940 4.550 0.001 0.000 0.329 858 Y C 0.733 176.274 175.900 -0.599 0.000 1.207 858 Y CA -0.812 57.091 58.100 -0.328 0.000 1.266 858 Y CB -1.147 37.251 38.460 -0.105 0.000 1.091 858 Y HN 0.168 nan 8.280 nan 0.000 0.501 859 A N 0.551 122.849 122.820 -0.870 0.000 2.330 859 A HA 0.345 4.665 4.320 0.001 0.000 0.329 859 A C 1.064 178.248 177.584 -0.666 0.000 1.135 859 A CA -0.714 50.616 52.037 -1.178 0.000 0.817 859 A CB 1.018 18.750 19.000 -2.113 0.000 1.269 859 A HN 0.441 nan 8.150 nan 0.000 0.469 860 E N 0.285 120.214 120.200 -0.452 0.000 2.028 860 E HA -0.099 4.251 4.350 0.001 0.000 0.190 860 E C -0.762 175.657 176.600 -0.301 0.000 0.984 860 E CA 1.293 57.539 56.400 -0.257 0.000 0.800 860 E CB -0.191 29.453 29.700 -0.092 0.000 0.758 860 E HN 0.610 nan 8.360 nan 0.000 0.448 861 D N -0.264 119.937 120.400 -0.332 0.000 2.634 861 D HA 0.398 5.039 4.640 0.001 0.000 0.318 861 D C -0.495 175.456 176.300 -0.582 0.000 1.226 861 D CA 0.199 54.025 54.000 -0.290 0.000 0.899 861 D CB 1.273 42.044 40.800 -0.049 0.000 1.025 861 D HN 0.361 nan 8.370 nan 0.000 0.501 862 G N 1.900 109.969 108.800 -1.219 0.000 2.462 862 G HA2 -0.155 3.805 3.960 0.001 0.000 0.124 862 G HA3 -0.155 3.805 3.960 0.001 0.000 0.124 862 G C -1.674 172.858 174.900 -0.614 0.000 1.062 862 G CA -0.809 43.782 45.100 -0.848 0.000 0.764 862 G HN 0.250 nan 8.290 nan 0.000 0.485 863 P HA 0.040 nan 4.420 nan 0.000 0.214 863 P C 1.798 178.956 177.300 -0.235 0.000 1.169 863 P CA 3.102 65.963 63.100 -0.399 0.000 0.908 863 P CB 0.183 31.637 31.700 -0.411 0.000 0.791 864 G N -2.911 105.754 108.800 -0.225 0.000 4.253 864 G HA2 -0.007 3.954 3.960 0.001 0.000 0.169 864 G HA3 -0.007 3.954 3.960 0.001 0.000 0.169 864 G C -0.446 174.330 174.900 -0.206 0.000 1.295 864 G CA 0.027 44.931 45.100 -0.326 0.000 1.021 864 G HN 0.101 nan 8.290 nan 0.000 0.381 865 V N 3.609 123.392 119.914 -0.219 0.000 2.655 865 V HA 0.241 4.361 4.120 0.001 0.000 0.273 865 V C 1.402 177.500 176.094 0.007 0.000 0.957 865 V CA 1.605 63.788 62.300 -0.194 0.000 1.167 865 V CB -0.711 31.085 31.823 -0.046 0.000 0.923 865 V HN 0.748 nan 8.190 nan 0.000 0.462 866 T N -0.343 114.204 114.554 -0.013 0.000 2.966 866 T HA 0.224 4.574 4.350 0.001 0.000 0.254 866 T C 0.752 175.627 174.700 0.291 0.000 0.961 866 T CA 0.442 62.657 62.100 0.192 0.000 0.915 866 T CB -0.056 68.981 68.868 0.282 0.000 1.186 866 T HN 0.555 nan 8.240 nan 0.000 0.505 867 Y N 1.288 121.587 120.300 -0.003 0.000 2.836 867 Y HA -0.444 4.107 4.550 0.001 0.000 0.470 867 Y C 1.731 177.680 175.900 0.082 0.000 1.156 867 Y CA 1.731 59.844 58.100 0.022 0.000 2.676 867 Y CB -1.547 36.943 38.460 0.051 0.000 1.184 867 Y HN 0.367 nan 8.280 nan 0.000 0.622 868 H N 0.675 119.896 119.070 0.252 0.000 2.489 868 H HA -0.075 4.481 4.556 0.001 0.000 0.293 868 H C 1.851 177.326 175.328 0.246 0.000 1.066 868 H CA 1.957 58.120 56.048 0.192 0.000 1.305 868 H CB 0.002 29.854 29.762 0.149 0.000 1.386 868 H HN 0.418 nan 8.280 nan 0.000 0.551 869 Q N -0.672 119.300 119.800 0.286 0.000 2.172 869 Q HA -0.095 4.245 4.340 0.001 0.000 0.200 869 Q C 2.066 178.333 176.000 0.446 0.000 0.964 869 Q CA 0.892 56.859 55.803 0.273 0.000 0.855 869 Q CB 0.019 28.834 28.738 0.129 0.000 0.918 869 Q HN 0.398 nan 8.270 nan 0.000 0.444 870 L N 1.102 122.516 121.223 0.318 0.000 2.046 870 L HA -0.118 4.223 4.340 0.001 0.000 0.208 870 L C 2.117 179.076 176.870 0.149 0.000 1.077 870 L CA 2.279 57.285 54.840 0.277 0.000 0.747 870 L CB -0.928 41.077 42.059 -0.090 0.000 0.896 870 L HN 0.198 nan 8.230 nan 0.000 0.432 871 T N -3.378 111.121 114.554 -0.092 0.000 3.439 871 T HA 0.020 4.371 4.350 0.001 0.000 0.251 871 T C 0.013 174.275 174.700 -0.730 0.000 1.108 871 T CA 0.329 62.205 62.100 -0.373 0.000 0.982 871 T CB -1.068 67.485 68.868 -0.524 0.000 1.024 871 T HN 0.603 nan 8.240 nan 0.000 0.573 872 H N 0.007 118.985 119.070 -0.153 0.000 2.696 872 H HA 0.286 4.843 4.556 0.001 0.000 0.221 872 H C 0.018 175.262 175.328 -0.139 0.000 1.399 872 H CA -0.920 54.980 56.048 -0.247 0.000 1.408 872 H CB -0.028 29.635 29.762 -0.164 0.000 1.853 872 H HN 0.443 nan 8.280 nan 0.000 0.546 873 F N -1.666 118.153 119.950 -0.218 0.000 2.749 873 F HA 0.256 4.783 4.527 0.001 0.000 0.300 873 F C 1.477 177.013 175.800 -0.439 0.000 1.103 873 F CA -0.086 57.543 58.000 -0.618 0.000 1.342 873 F CB 0.031 38.518 39.000 -0.853 0.000 1.098 873 F HN 0.185 nan 8.300 nan 0.000 0.586 874 M N 0.423 119.652 119.600 -0.618 0.000 2.296 874 M HA -0.077 4.403 4.480 0.001 0.000 0.265 874 M C 0.639 176.817 176.300 -0.205 0.000 1.064 874 M CA 1.501 56.570 55.300 -0.384 0.000 1.109 874 M CB -0.258 32.041 32.600 -0.501 0.000 1.396 874 M HN 0.290 nan 8.290 nan 0.000 0.430 875 Q N -1.116 118.596 119.800 -0.147 0.000 2.404 875 Q HA 0.100 4.441 4.340 0.001 0.000 0.368 875 Q C 0.784 176.855 176.000 0.119 0.000 0.939 875 Q CA -0.380 55.390 55.803 -0.055 0.000 1.099 875 Q CB 0.651 29.319 28.738 -0.117 0.000 1.284 875 Q HN 0.425 nan 8.270 nan 0.000 0.421 876 c N -0.820 117.757 118.600 -0.037 0.000 2.700 876 c HA 0.036 4.606 4.570 0.001 0.000 0.297 876 c C 2.270 176.389 174.090 0.048 0.000 1.293 876 c CA 0.757 57.017 56.329 -0.115 0.000 1.756 876 c CB -0.041 42.021 42.510 -0.746 0.000 2.210 876 c HN 0.573 nan 8.230 nan 0.000 0.553 877 T N 1.101 115.657 114.554 0.003 0.000 2.809 877 T HA -0.069 4.282 4.350 0.001 0.000 0.260 877 T C 1.606 176.337 174.700 0.052 0.000 1.039 877 T CA 1.427 63.547 62.100 0.033 0.000 1.141 877 T CB -0.182 68.681 68.868 -0.009 0.000 0.869 877 T HN 0.599 nan 8.240 nan 0.000 0.437 878 E N 1.802 122.015 120.200 0.022 0.000 2.011 878 E HA -0.037 4.313 4.350 0.001 0.000 0.191 878 E C 1.089 177.724 176.600 0.058 0.000 0.979 878 E CA 0.703 57.110 56.400 0.012 0.000 0.822 878 E CB -0.722 28.954 29.700 -0.040 0.000 0.782 878 E HN 0.268 nan 8.360 nan 0.000 0.459 879 D N 0.533 120.960 120.400 0.045 0.000 2.934 879 D HA -0.022 4.618 4.640 0.001 0.000 0.237 879 D C 1.052 177.463 176.300 0.186 0.000 1.158 879 D CA -0.001 54.036 54.000 0.062 0.000 0.971 879 D CB -0.562 40.175 40.800 -0.105 0.000 1.123 879 D HN 0.209 nan 8.370 nan 0.000 0.467 880 H N 0.642 119.796 119.070 0.140 0.000 2.352 880 H HA -0.046 4.511 4.556 0.001 0.000 0.299 880 H C -0.942 174.506 175.328 0.200 0.000 1.097 880 H CA 1.585 57.755 56.048 0.204 0.000 1.311 880 H CB -0.314 29.519 29.762 0.117 0.000 1.377 880 H HN 0.239 nan 8.280 nan 0.000 0.504 881 P HA -0.235 nan 4.420 nan 0.000 0.218 881 P C 0.868 178.166 177.300 -0.004 0.000 1.154 881 P CA 2.064 65.239 63.100 0.126 0.000 0.872 881 P CB -0.104 31.648 31.700 0.087 0.000 0.790 882 H N -1.721 117.253 119.070 -0.160 0.000 2.265 882 H HA -0.112 4.445 4.556 0.001 0.000 0.293 882 H C 0.574 175.674 175.328 -0.381 0.000 1.089 882 H CA 1.260 57.106 56.048 -0.338 0.000 1.244 882 H CB -1.300 28.122 29.762 -0.566 0.000 1.355 882 H HN 0.118 nan 8.280 nan 0.000 0.485 883 F N 1.918 121.838 119.950 -0.050 0.000 2.679 883 F HA 0.123 4.650 4.527 0.001 0.000 0.351 883 F C 0.513 176.182 175.800 -0.219 0.000 1.279 883 F CA -0.105 57.815 58.000 -0.133 0.000 1.227 883 F CB -0.197 38.691 39.000 -0.187 0.000 1.623 883 F HN 0.046 nan 8.300 nan 0.000 0.666 884 E N 0.685 120.894 120.200 0.014 0.000 2.204 884 E HA 0.471 4.822 4.350 0.001 0.000 0.276 884 E C 0.956 177.591 176.600 0.059 0.000 0.974 884 E CA -0.101 56.321 56.400 0.037 0.000 0.815 884 E CB 1.742 31.455 29.700 0.023 0.000 1.119 884 E HN 0.615 nan 8.360 nan 0.000 0.393 885 G N 2.033 110.875 108.800 0.070 0.000 2.131 885 G HA2 -0.218 3.743 3.960 0.001 0.000 0.223 885 G HA3 -0.218 3.743 3.960 0.001 0.000 0.223 885 G C -0.060 174.878 174.900 0.064 0.000 0.990 885 G CA 0.513 45.646 45.100 0.055 0.000 0.671 885 G HN 0.408 nan 8.290 nan 0.000 0.521 886 L N -3.189 118.092 121.223 0.096 0.000 2.540 886 L HA 0.895 5.235 4.340 0.001 0.000 0.256 886 L C -0.456 176.490 176.870 0.127 0.000 1.001 886 L CA -1.369 53.532 54.840 0.102 0.000 0.843 886 L CB 1.256 43.401 42.059 0.145 0.000 1.436 886 L HN 0.013 nan 8.230 nan 0.000 0.410 887 D N 0.135 120.603 120.400 0.114 0.000 2.398 887 D HA 0.353 4.993 4.640 0.001 0.000 0.247 887 D C -0.808 175.570 176.300 0.130 0.000 1.227 887 D CA -0.220 53.857 54.000 0.129 0.000 0.980 887 D CB 1.653 42.507 40.800 0.091 0.000 1.106 887 D HN 0.725 nan 8.370 nan 0.000 0.493 888 c N 2.169 120.842 118.600 0.122 0.000 2.878 888 c HA 0.409 4.979 4.570 0.001 0.000 0.313 888 c C 0.778 174.901 174.090 0.055 0.000 1.397 888 c CA -0.393 55.969 56.329 0.056 0.000 1.636 888 c CB -1.296 41.260 42.510 0.077 0.000 2.075 888 c HN 0.730 nan 8.230 nan 0.000 0.518 889 E N -0.139 120.122 120.200 0.101 0.000 2.209 889 E HA 0.073 4.424 4.350 0.001 0.000 0.192 889 E C 0.892 177.569 176.600 0.127 0.000 0.979 889 E CA 0.095 56.548 56.400 0.088 0.000 1.419 889 E CB 0.007 29.740 29.700 0.055 0.000 3.128 889 E HN 0.597 nan 8.360 nan 0.000 0.975 890 I N 1.495 122.162 120.570 0.161 0.000 3.334 890 I HA -0.010 4.160 4.170 0.001 0.000 0.282 890 I C 1.100 177.321 176.117 0.173 0.000 1.313 890 I CA 0.532 61.916 61.300 0.140 0.000 1.396 890 I CB -0.297 37.753 38.000 0.085 0.000 1.054 890 I HN 0.037 nan 8.210 nan 0.000 0.495 891 F N 1.264 121.269 119.950 0.093 0.000 2.811 891 F HA 0.031 4.559 4.527 0.001 0.000 0.301 891 F C 1.238 177.065 175.800 0.044 0.000 1.151 891 F CA 0.628 58.718 58.000 0.151 0.000 1.412 891 F CB 0.018 38.996 39.000 -0.036 0.000 1.113 891 F HN 0.093 nan 8.300 nan 0.000 0.579 892 E N -0.017 120.263 120.200 0.133 0.000 3.167 892 E HA 0.371 4.722 4.350 0.001 0.000 0.210 892 E C -0.036 176.541 176.600 -0.039 0.000 1.004 892 E CA -0.345 56.071 56.400 0.026 0.000 1.256 892 E CB 0.518 30.225 29.700 0.012 0.000 1.193 892 E HN 0.114 nan 8.360 nan 0.000 0.448 893 A N 1.414 124.175 122.820 -0.099 0.000 2.327 893 A HA 0.398 4.718 4.320 0.001 0.000 0.283 893 A C -1.775 175.601 177.584 -0.347 0.000 1.127 893 A CA -1.319 50.574 52.037 -0.241 0.000 0.810 893 A CB 0.476 19.259 19.000 -0.362 0.000 1.066 893 A HN 0.002 nan 8.150 nan 0.000 0.492 894 P HA -0.065 nan 4.420 nan 0.000 0.219 894 P C 0.749 177.794 177.300 -0.426 0.000 1.150 894 P CA 1.126 64.051 63.100 -0.292 0.000 0.814 894 P CB 0.249 31.819 31.700 -0.216 0.000 0.787 895 E N 0.455 120.279 120.200 -0.628 0.000 2.058 895 E HA -0.159 4.191 4.350 0.001 0.000 0.194 895 E C -0.461 175.617 176.600 -0.870 0.000 0.997 895 E CA 1.902 57.837 56.400 -0.775 0.000 0.801 895 E CB -2.301 26.824 29.700 -0.958 0.000 0.746 895 E HN 0.436 nan 8.360 nan 0.000 0.450 896 P HA -0.162 nan 4.420 nan 0.000 0.216 896 P C 1.298 178.436 177.300 -0.271 0.000 1.153 896 P CA 1.555 64.274 63.100 -0.636 0.000 0.848 896 P CB -0.012 31.360 31.700 -0.546 0.000 0.787 897 M N -1.127 118.315 119.600 -0.264 0.000 2.254 897 M HA -0.056 4.424 4.480 0.001 0.000 0.265 897 M C 2.058 178.271 176.300 -0.145 0.000 1.066 897 M CA 1.640 56.856 55.300 -0.140 0.000 1.123 897 M CB -1.232 31.302 32.600 -0.109 0.000 1.388 897 M HN -0.073 nan 8.290 nan 0.000 0.425 898 T N 0.713 115.134 114.554 -0.221 0.000 2.833 898 T HA -0.079 4.271 4.350 0.001 0.000 0.269 898 T C 1.863 176.427 174.700 -0.227 0.000 1.054 898 T CA 0.984 62.957 62.100 -0.212 0.000 1.135 898 T CB -0.017 68.686 68.868 -0.275 0.000 0.869 898 T HN 0.251 nan 8.240 nan 0.000 0.466 899 M N 0.966 120.418 119.600 -0.247 0.000 2.099 899 M HA 0.018 4.499 4.480 0.001 0.000 0.262 899 M C 2.836 179.046 176.300 -0.150 0.000 1.067 899 M CA 1.399 56.567 55.300 -0.221 0.000 1.124 899 M CB -1.311 31.226 32.600 -0.106 0.000 1.353 899 M HN 0.309 nan 8.290 nan 0.000 0.410 900 A N 0.333 123.099 122.820 -0.090 0.000 1.858 900 A HA -0.189 4.132 4.320 0.001 0.000 0.216 900 A C 2.189 179.741 177.584 -0.054 0.000 1.190 900 A CA 1.552 53.557 52.037 -0.053 0.000 0.617 900 A CB -1.075 17.914 19.000 -0.018 0.000 0.827 900 A HN 0.407 nan 8.150 nan 0.000 0.443 901 L N 0.159 121.366 121.223 -0.027 0.000 2.012 901 L HA -0.121 4.219 4.340 0.001 0.000 0.210 901 L C 2.524 179.397 176.870 0.004 0.000 1.073 901 L CA 2.619 57.477 54.840 0.029 0.000 0.748 901 L CB -0.865 41.257 42.059 0.105 0.000 0.891 901 L HN 0.309 nan 8.230 nan 0.000 0.431 902 S N -1.344 114.363 115.700 0.012 0.000 2.419 902 S HA -0.157 4.313 4.470 0.001 0.000 0.235 902 S C 1.940 176.487 174.600 -0.088 0.000 1.019 902 S CA 1.235 59.421 58.200 -0.023 0.000 0.982 902 S CB -0.352 62.664 63.200 -0.306 0.000 0.789 902 S HN 0.351 nan 8.310 nan 0.000 0.490 903 V N 1.299 121.147 119.914 -0.111 0.000 2.283 903 V HA -0.092 4.028 4.120 0.001 0.000 0.243 903 V C 2.182 178.212 176.094 -0.108 0.000 1.039 903 V CA 1.383 63.618 62.300 -0.108 0.000 1.016 903 V CB -0.604 31.138 31.823 -0.135 0.000 0.650 903 V HN 0.356 nan 8.190 nan 0.000 0.449 904 L N 0.273 121.432 121.223 -0.105 0.000 1.971 904 L HA -0.192 4.149 4.340 0.001 0.000 0.215 904 L C 2.407 179.215 176.870 -0.104 0.000 1.072 904 L CA 2.125 56.906 54.840 -0.098 0.000 0.758 904 L CB -0.718 41.301 42.059 -0.068 0.000 0.889 904 L HN 0.152 nan 8.230 nan 0.000 0.433 905 V N -0.819 119.006 119.914 -0.149 0.000 2.380 905 V HA -0.346 3.775 4.120 0.001 0.000 0.251 905 V C 2.403 178.409 176.094 -0.146 0.000 1.063 905 V CA 2.264 64.438 62.300 -0.210 0.000 1.055 905 V CB -1.128 30.366 31.823 -0.549 0.000 0.657 905 V HN 0.601 nan 8.190 nan 0.000 0.455 906 T N -0.324 114.168 114.554 -0.104 0.000 2.851 906 T HA 0.062 4.412 4.350 0.001 0.000 0.262 906 T C 1.834 176.533 174.700 -0.001 0.000 1.043 906 T CA 1.165 63.250 62.100 -0.026 0.000 1.140 906 T CB -0.123 68.773 68.868 0.047 0.000 0.872 906 T HN 0.322 nan 8.240 nan 0.000 0.446 907 I N 1.096 121.653 120.570 -0.022 0.000 2.226 907 I HA -0.131 4.040 4.170 0.001 0.000 0.245 907 I C 2.689 178.824 176.117 0.031 0.000 1.100 907 I CA 1.122 62.424 61.300 0.002 0.000 1.374 907 I CB -0.257 37.701 38.000 -0.069 0.000 1.057 907 I HN 0.162 nan 8.210 nan 0.000 0.413 908 E N 0.378 120.580 120.200 0.004 0.000 2.072 908 E HA -0.168 4.183 4.350 0.001 0.000 0.191 908 E C 2.241 178.950 176.600 0.182 0.000 0.985 908 E CA 1.114 57.545 56.400 0.052 0.000 0.801 908 E CB -0.245 29.424 29.700 -0.052 0.000 0.750 908 E HN 0.376 nan 8.360 nan 0.000 0.452 909 M N 0.294 119.948 119.600 0.091 0.000 2.108 909 M HA -0.154 4.326 4.480 0.001 0.000 0.261 909 M C 2.530 178.869 176.300 0.066 0.000 1.066 909 M CA 1.013 56.358 55.300 0.074 0.000 1.107 909 M CB -1.450 31.158 32.600 0.013 0.000 1.356 909 M HN 0.172 nan 8.290 nan 0.000 0.406 910 C N 0.192 119.533 119.300 0.068 0.000 2.446 910 C HA -0.092 4.368 4.460 0.001 0.000 0.277 910 C C 2.398 177.439 174.990 0.085 0.000 1.275 910 C CA 0.804 59.861 59.018 0.066 0.000 1.727 910 C CB -1.487 26.296 27.740 0.073 0.000 2.010 910 C HN 0.566 nan 8.230 nan 0.000 0.486 911 N N 0.854 119.637 118.700 0.138 0.000 2.585 911 N HA -0.019 4.721 4.740 0.001 0.000 0.188 911 N C 1.436 177.085 175.510 0.231 0.000 1.102 911 N CA 0.996 54.160 53.050 0.189 0.000 0.920 911 N CB -0.129 38.473 38.487 0.192 0.000 0.963 911 N HN 0.567 nan 8.380 nan 0.000 0.447 912 A N -0.605 122.271 122.820 0.094 0.000 2.021 912 A HA 0.118 4.439 4.320 0.001 0.000 0.216 912 A C 2.040 179.511 177.584 -0.188 0.000 1.163 912 A CA 0.361 52.198 52.037 -0.332 0.000 0.676 912 A CB -0.136 18.626 19.000 -0.397 0.000 0.818 912 A HN 0.250 nan 8.150 nan 0.000 0.453 913 L N -0.472 120.714 121.223 -0.061 0.000 2.068 913 L HA -0.089 4.252 4.340 0.001 0.000 0.204 913 L C 1.800 178.656 176.870 -0.023 0.000 1.076 913 L CA 1.125 55.941 54.840 -0.041 0.000 0.753 913 L CB -0.624 41.427 42.059 -0.014 0.000 0.910 913 L HN 0.417 nan 8.230 nan 0.000 0.439 914 N N -0.558 118.149 118.700 0.012 0.000 2.609 914 N HA -0.087 4.653 4.740 0.001 0.000 0.190 914 N C 1.397 176.931 175.510 0.039 0.000 1.157 914 N CA 0.334 53.404 53.050 0.033 0.000 0.918 914 N CB 0.151 38.674 38.487 0.059 0.000 0.978 914 N HN 0.184 nan 8.380 nan 0.000 0.448 915 S N 0.392 116.096 115.700 0.008 0.000 2.517 915 S HA 0.211 4.681 4.470 0.001 0.000 0.214 915 S C 1.769 176.357 174.600 -0.019 0.000 0.991 915 S CA -0.311 57.893 58.200 0.006 0.000 0.906 915 S CB 0.412 63.588 63.200 -0.041 0.000 0.789 915 S HN 0.249 nan 8.310 nan 0.000 0.513 916 L N 0.908 122.109 121.223 -0.036 0.000 2.127 916 L HA -0.038 4.303 4.340 0.001 0.000 0.211 916 L C 1.124 177.988 176.870 -0.010 0.000 1.089 916 L CA 0.841 55.665 54.840 -0.027 0.000 0.757 916 L CB 0.018 42.053 42.059 -0.040 0.000 0.899 916 L HN 0.227 nan 8.230 nan 0.000 0.434 917 S N -2.261 113.438 115.700 -0.002 0.000 2.588 917 S HA 0.173 4.643 4.470 0.001 0.000 0.275 917 S C 0.399 175.018 174.600 0.032 0.000 1.130 917 S CA -0.747 57.458 58.200 0.007 0.000 0.855 917 S CB 1.916 65.111 63.200 -0.008 0.000 1.116 917 S HN 0.206 nan 8.310 nan 0.000 0.472 918 E N 1.373 121.597 120.200 0.040 0.000 2.140 918 E HA 0.052 4.402 4.350 0.001 0.000 0.191 918 E C 0.673 177.327 176.600 0.090 0.000 0.973 918 E CA 0.911 57.355 56.400 0.073 0.000 0.829 918 E CB 0.052 29.796 29.700 0.073 0.000 0.781 918 E HN 0.613 nan 8.360 nan 0.000 0.466 919 N N -0.405 118.325 118.700 0.050 0.000 2.529 919 N HA 0.029 4.769 4.740 0.001 0.000 0.231 919 N C -0.383 175.125 175.510 -0.003 0.000 1.072 919 N CA 0.006 53.076 53.050 0.034 0.000 0.854 919 N CB 0.340 38.824 38.487 -0.004 0.000 1.465 919 N HN -0.011 nan 8.380 nan 0.000 0.452 920 Q N 1.761 121.548 119.800 -0.022 0.000 2.256 920 Q HA 0.086 4.427 4.340 0.001 0.000 0.281 920 Q C -0.215 175.769 176.000 -0.026 0.000 1.162 920 Q CA 0.352 56.128 55.803 -0.044 0.000 0.943 920 Q CB 0.193 28.901 28.738 -0.049 0.000 1.195 920 Q HN 0.179 nan 8.270 nan 0.000 0.403 921 S N 2.135 117.823 115.700 -0.021 0.000 2.549 921 S HA -0.100 4.370 4.470 0.001 0.000 0.278 921 S C 1.337 175.930 174.600 -0.013 0.000 1.344 921 S CA -0.457 57.757 58.200 0.023 0.000 1.025 921 S CB 0.387 63.639 63.200 0.086 0.000 0.851 921 S HN 0.467 nan 8.310 nan 0.000 0.530 922 L N 2.000 123.217 121.223 -0.010 0.000 2.275 922 L HA -0.063 4.277 4.340 0.001 0.000 0.215 922 L C 2.187 179.005 176.870 -0.087 0.000 1.119 922 L CA 1.446 56.248 54.840 -0.063 0.000 0.790 922 L CB -0.779 41.251 42.059 -0.048 0.000 0.919 922 L HN 0.688 nan 8.230 nan 0.000 0.443 923 M N -0.909 118.676 119.600 -0.024 0.000 2.073 923 M HA -0.253 4.227 4.480 0.001 0.000 0.258 923 M C 2.268 178.535 176.300 -0.054 0.000 1.070 923 M CA 1.910 57.202 55.300 -0.013 0.000 1.103 923 M CB -0.458 32.179 32.600 0.062 0.000 1.321 923 M HN 0.138 nan 8.290 nan 0.000 0.405 924 R N -0.605 119.866 120.500 -0.049 0.000 2.210 924 R HA 0.208 4.548 4.340 0.001 0.000 0.203 924 R C 0.729 176.967 176.300 -0.102 0.000 1.010 924 R CA 0.303 56.365 56.100 -0.063 0.000 1.008 924 R CB 0.123 30.390 30.300 -0.056 0.000 0.923 924 R HN 0.339 nan 8.270 nan 0.000 0.469 925 M N 1.976 121.497 119.600 -0.132 0.000 2.046 925 M HA 0.399 4.879 4.480 0.001 0.000 0.309 925 M C -2.676 173.446 176.300 -0.297 0.000 0.935 925 M CA -2.488 52.705 55.300 -0.179 0.000 0.915 925 M CB 1.949 34.478 32.600 -0.118 0.000 1.474 925 M HN -0.279 nan 8.290 nan 0.000 0.415 926 P HA 0.147 nan 4.420 nan 0.000 0.267 926 P C -2.415 174.513 177.300 -0.620 0.000 1.200 926 P CA -0.717 61.806 63.100 -0.961 0.000 0.772 926 P CB 0.010 30.460 31.700 -2.082 0.000 0.855 927 P HA -0.030 nan 4.420 nan 0.000 0.237 927 P C 0.296 177.568 177.300 -0.047 0.000 1.178 927 P CA 0.648 63.649 63.100 -0.166 0.000 0.766 927 P CB -0.284 31.380 31.700 -0.061 0.000 0.876 928 W N -1.951 119.345 121.300 -0.007 0.000 3.353 928 W HA 0.270 4.931 4.660 0.001 0.000 0.304 928 W C 0.923 177.429 176.519 -0.022 0.000 1.273 928 W CA -0.270 57.063 57.345 -0.020 0.000 1.773 928 W CB -1.608 27.838 29.460 -0.024 0.000 1.095 928 W HN -0.342 nan 8.180 nan 0.000 0.676 929 V N 2.147 122.061 119.914 -0.001 0.000 2.223 929 V HA -0.282 3.839 4.120 0.001 0.000 0.244 929 V C 1.166 177.310 176.094 0.083 0.000 1.045 929 V CA 2.076 64.400 62.300 0.040 0.000 1.000 929 V CB -0.962 30.828 31.823 -0.055 0.000 0.635 929 V HN 0.268 nan 8.190 nan 0.000 0.445 930 N N 0.941 119.684 118.700 0.071 0.000 2.719 930 N HA 0.126 4.866 4.740 0.001 0.000 0.243 930 N C 0.782 176.352 175.510 0.099 0.000 1.104 930 N CA -0.071 53.051 53.050 0.121 0.000 0.981 930 N CB 0.085 38.659 38.487 0.145 0.000 1.290 930 N HN 0.124 nan 8.380 nan 0.000 0.513 931 I N 1.220 121.793 120.570 0.004 0.000 2.185 931 I HA -0.281 3.889 4.170 0.001 0.000 0.246 931 I C 1.757 177.838 176.117 -0.061 0.000 1.088 931 I CA 1.136 62.374 61.300 -0.104 0.000 1.347 931 I CB -0.678 37.130 38.000 -0.321 0.000 1.041 931 I HN 0.635 nan 8.210 nan 0.000 0.415 932 W N 0.123 121.471 121.300 0.079 0.000 2.421 932 W HA -0.181 4.479 4.660 0.001 0.000 0.270 932 W C 2.423 178.958 176.519 0.026 0.000 1.233 932 W CA 0.511 57.897 57.345 0.068 0.000 1.226 932 W CB -0.715 28.826 29.460 0.136 0.000 1.121 932 W HN 0.181 nan 8.180 nan 0.000 0.579 933 L N 0.223 121.573 121.223 0.212 0.000 2.141 933 L HA -0.112 4.228 4.340 0.001 0.000 0.209 933 L C 2.155 179.058 176.870 0.056 0.000 1.094 933 L CA 1.677 56.572 54.840 0.093 0.000 0.763 933 L CB -0.918 41.169 42.059 0.046 0.000 0.908 933 L HN -0.150 nan 8.230 nan 0.000 0.437 934 L N -1.066 120.192 121.223 0.058 0.000 2.005 934 L HA -0.051 4.289 4.340 0.001 0.000 0.207 934 L C 2.531 179.425 176.870 0.040 0.000 1.072 934 L CA 1.272 56.134 54.840 0.038 0.000 0.744 934 L CB -1.546 40.529 42.059 0.027 0.000 0.895 934 L HN 0.374 nan 8.230 nan 0.000 0.433 935 G N -0.818 108.013 108.800 0.052 0.000 2.462 935 G HA2 -0.303 3.658 3.960 0.001 0.000 0.220 935 G HA3 -0.303 3.658 3.960 0.001 0.000 0.220 935 G C 1.825 176.766 174.900 0.068 0.000 1.121 935 G CA 1.096 46.235 45.100 0.065 0.000 0.758 935 G HN 0.402 nan 8.290 nan 0.000 0.559 936 S N 0.274 116.016 115.700 0.071 0.000 2.348 936 S HA -0.045 4.425 4.470 0.001 0.000 0.221 936 S C 2.377 176.987 174.600 0.016 0.000 1.033 936 S CA 1.143 59.364 58.200 0.034 0.000 1.010 936 S CB -0.268 62.943 63.200 0.018 0.000 0.891 936 S HN 0.356 nan 8.310 nan 0.000 0.442 937 I N 0.905 121.484 120.570 0.016 0.000 2.406 937 I HA -0.110 4.061 4.170 0.001 0.000 0.249 937 I C 2.459 178.588 176.117 0.020 0.000 1.122 937 I CA 0.616 61.923 61.300 0.011 0.000 1.431 937 I CB -0.565 37.438 38.000 0.005 0.000 1.087 937 I HN 0.416 nan 8.210 nan 0.000 0.424 938 C N 0.531 119.850 119.300 0.031 0.000 2.419 938 C HA -0.124 4.336 4.460 0.001 0.000 0.281 938 C C 2.685 177.710 174.990 0.059 0.000 1.336 938 C CA 0.443 59.488 59.018 0.046 0.000 1.770 938 C CB -0.919 26.846 27.740 0.043 0.000 1.929 938 C HN 0.494 nan 8.230 nan 0.000 0.509 939 L N 0.867 122.119 121.223 0.050 0.000 2.068 939 L HA -0.009 4.331 4.340 0.001 0.000 0.204 939 L C 2.532 179.441 176.870 0.065 0.000 1.076 939 L CA 1.985 56.859 54.840 0.057 0.000 0.753 939 L CB -1.044 41.039 42.059 0.040 0.000 0.910 939 L HN 0.151 nan 8.230 nan 0.000 0.439 940 S N -0.590 115.134 115.700 0.040 0.000 2.359 940 S HA -0.205 4.265 4.470 0.001 0.000 0.224 940 S C 1.937 176.571 174.600 0.056 0.000 1.035 940 S CA 1.792 60.019 58.200 0.044 0.000 1.018 940 S CB -0.332 62.874 63.200 0.010 0.000 0.876 940 S HN 0.354 nan 8.310 nan 0.000 0.448 941 M N 1.925 121.529 119.600 0.006 0.000 2.065 941 M HA -0.078 4.402 4.480 0.001 0.000 0.259 941 M C 2.447 178.733 176.300 -0.024 0.000 1.069 941 M CA 1.794 57.042 55.300 -0.086 0.000 1.110 941 M CB -1.567 30.993 32.600 -0.066 0.000 1.328 941 M HN 0.451 nan 8.290 nan 0.000 0.405 942 S N -0.902 114.882 115.700 0.141 0.000 2.474 942 S HA -0.073 4.398 4.470 0.001 0.000 0.235 942 S C 1.964 176.688 174.600 0.207 0.000 0.997 942 S CA 0.831 59.185 58.200 0.256 0.000 0.949 942 S CB -0.692 62.614 63.200 0.178 0.000 0.766 942 S HN 0.500 nan 8.310 nan 0.000 0.517 943 L N 0.010 121.337 121.223 0.173 0.000 2.162 943 L HA 0.113 4.454 4.340 0.001 0.000 0.205 943 L C 2.739 179.709 176.870 0.167 0.000 1.086 943 L CA 1.191 56.155 54.840 0.207 0.000 0.778 943 L CB -0.493 41.755 42.059 0.315 0.000 0.928 943 L HN 0.347 nan 8.230 nan 0.000 0.446 944 H N -0.077 119.010 119.070 0.029 0.000 2.267 944 H HA -0.215 4.342 4.556 0.001 0.000 0.297 944 H C 1.983 177.289 175.328 -0.037 0.000 1.080 944 H CA 2.082 58.092 56.048 -0.063 0.000 1.278 944 H CB -0.196 29.465 29.762 -0.167 0.000 1.365 944 H HN 0.107 nan 8.280 nan 0.000 0.489 945 F N -0.225 119.790 119.950 0.108 0.000 2.154 945 F HA -0.188 4.339 4.527 0.001 0.000 0.301 945 F C 2.472 178.326 175.800 0.090 0.000 1.087 945 F CA 1.121 59.189 58.000 0.113 0.000 1.274 945 F CB -1.046 38.014 39.000 0.100 0.000 1.009 945 F HN 0.225 nan 8.300 nan 0.000 0.485 946 L N 0.462 121.799 121.223 0.190 0.000 1.955 946 L HA -0.194 4.146 4.340 0.001 0.000 0.213 946 L C 2.151 178.978 176.870 -0.071 0.000 1.072 946 L CA 1.795 56.678 54.840 0.073 0.000 0.755 946 L CB -0.769 41.304 42.059 0.024 0.000 0.888 946 L HN 0.073 nan 8.230 nan 0.000 0.432 947 I N -0.513 119.892 120.570 -0.275 0.000 3.164 947 I HA -0.250 3.921 4.170 0.001 0.000 0.278 947 I C 1.860 177.760 176.117 -0.361 0.000 1.320 947 I CA 0.732 61.754 61.300 -0.464 0.000 1.422 947 I CB -0.378 37.046 38.000 -0.961 0.000 1.066 947 I HN 0.386 nan 8.210 nan 0.000 0.503 948 L N -0.979 120.078 121.223 -0.277 0.000 2.408 948 L HA -0.000 4.340 4.340 0.001 0.000 0.215 948 L C 0.312 176.903 176.870 -0.464 0.000 1.081 948 L CA 0.586 55.209 54.840 -0.363 0.000 0.840 948 L CB 0.177 42.038 42.059 -0.329 0.000 1.002 948 L HN 0.183 nan 8.230 nan 0.000 0.468 949 Y N -0.311 119.967 120.300 -0.036 0.000 2.495 949 Y HA 0.437 4.988 4.550 0.001 0.000 0.362 949 Y C -0.668 175.212 175.900 -0.033 0.000 0.956 949 Y CA -0.400 57.689 58.100 -0.019 0.000 1.127 949 Y CB 1.215 39.677 38.460 0.004 0.000 1.173 949 Y HN -0.317 nan 8.280 nan 0.000 0.639 950 V N 1.037 120.975 119.914 0.039 0.000 2.674 950 V HA 0.038 4.158 4.120 0.001 0.000 0.279 950 V C -0.061 176.030 176.094 -0.005 0.000 1.051 950 V CA -1.059 61.254 62.300 0.022 0.000 0.912 950 V CB 1.390 33.215 31.823 0.003 0.000 1.044 950 V HN 0.470 nan 8.190 nan 0.000 0.464 951 D N 3.895 124.298 120.400 0.005 0.000 3.691 951 D HA -0.262 4.378 4.640 0.001 0.000 0.228 951 D C -0.568 175.723 176.300 -0.014 0.000 1.236 951 D CA 2.771 56.767 54.000 -0.006 0.000 0.888 951 D CB -1.195 39.605 40.800 -0.001 0.000 0.969 951 D HN 0.508 nan 8.370 nan 0.000 0.560 952 P HA -0.044 nan 4.420 nan 0.000 0.210 952 P C 1.979 179.284 177.300 0.008 0.000 1.191 952 P CA 0.640 63.737 63.100 -0.005 0.000 0.917 952 P CB -0.158 31.543 31.700 0.002 0.000 0.778 953 L N -0.702 120.528 121.223 0.012 0.000 2.095 953 L HA -0.223 4.117 4.340 0.001 0.000 0.229 953 L C -0.392 176.527 176.870 0.082 0.000 1.097 953 L CA 2.531 57.395 54.840 0.038 0.000 0.813 953 L CB -2.781 39.204 42.059 -0.123 0.000 0.907 953 L HN 0.109 nan 8.230 nan 0.000 0.445 954 P HA -0.148 nan 4.420 nan 0.000 0.226 954 P C 1.690 178.980 177.300 -0.016 0.000 1.153 954 P CA 1.288 64.359 63.100 -0.049 0.000 0.777 954 P CB 0.015 31.646 31.700 -0.114 0.000 0.794 955 M N -0.362 119.230 119.600 -0.014 0.000 2.287 955 M HA -0.021 4.459 4.480 0.001 0.000 0.266 955 M C 1.659 177.927 176.300 -0.054 0.000 1.079 955 M CA 1.598 56.876 55.300 -0.037 0.000 1.146 955 M CB -0.305 32.270 32.600 -0.042 0.000 1.374 955 M HN -0.163 nan 8.290 nan 0.000 0.435 956 I N -2.369 118.169 120.570 -0.052 0.000 2.676 956 I HA -0.120 4.050 4.170 0.001 0.000 0.259 956 I C 0.808 176.704 176.117 -0.369 0.000 1.194 956 I CA 1.149 62.329 61.300 -0.201 0.000 1.473 956 I CB -0.669 37.187 38.000 -0.240 0.000 1.096 956 I HN 0.175 nan 8.210 nan 0.000 0.443 957 F N 1.218 121.097 119.950 -0.118 0.000 2.706 957 F HA 0.333 4.860 4.527 0.001 0.000 0.313 957 F C 0.566 176.296 175.800 -0.116 0.000 1.096 957 F CA -0.555 57.371 58.000 -0.122 0.000 1.219 957 F CB 0.244 39.131 39.000 -0.187 0.000 1.051 957 F HN -0.142 nan 8.300 nan 0.000 0.568 958 K N 1.790 122.199 120.400 0.015 0.000 3.419 958 K HA -0.180 4.141 4.320 0.001 0.000 0.272 958 K C -1.065 175.493 176.600 -0.070 0.000 0.973 958 K CA 0.285 56.547 56.287 -0.042 0.000 0.749 958 K CB -1.663 30.805 32.500 -0.054 0.000 1.403 958 K HN 0.285 nan 8.250 nan 0.000 0.456 959 L N 0.004 121.174 121.223 -0.088 0.000 2.370 959 L HA 0.554 4.894 4.340 0.001 0.000 0.266 959 L C -0.242 176.514 176.870 -0.190 0.000 1.002 959 L CA -0.989 53.758 54.840 -0.156 0.000 0.818 959 L CB 2.211 44.162 42.059 -0.180 0.000 1.325 959 L HN 0.018 nan 8.230 nan 0.000 0.418 960 K N 1.536 121.796 120.400 -0.234 0.000 2.578 960 K HA 0.649 4.969 4.320 0.001 0.000 0.250 960 K C -0.395 176.048 176.600 -0.262 0.000 0.955 960 K CA -0.467 55.680 56.287 -0.233 0.000 0.825 960 K CB 1.971 34.348 32.500 -0.205 0.000 1.151 960 K HN 0.733 nan 8.250 nan 0.000 0.432 961 A N 3.580 126.202 122.820 -0.330 0.000 2.672 961 A HA 0.002 4.323 4.320 0.001 0.000 0.232 961 A C -0.328 177.177 177.584 -0.131 0.000 1.121 961 A CA 0.529 52.360 52.037 -0.343 0.000 0.829 961 A CB 0.013 18.593 19.000 -0.699 0.000 1.027 961 A HN 0.708 nan 8.150 nan 0.000 0.515 962 L N 0.736 121.969 121.223 0.016 0.000 2.329 962 L HA 0.322 4.663 4.340 0.001 0.000 0.279 962 L C 0.232 177.229 176.870 0.211 0.000 1.014 962 L CA -0.940 53.870 54.840 -0.050 0.000 0.814 962 L CB 1.561 43.268 42.059 -0.586 0.000 1.257 962 L HN 0.846 nan 8.230 nan 0.000 0.424 963 D N 1.144 121.639 120.400 0.158 0.000 2.352 963 D HA 0.030 4.670 4.640 0.001 0.000 0.238 963 D C 0.964 177.453 176.300 0.315 0.000 1.286 963 D CA -0.081 54.051 54.000 0.220 0.000 0.923 963 D CB 0.936 41.834 40.800 0.163 0.000 1.146 963 D HN 0.312 nan 8.370 nan 0.000 0.471 964 L N 1.131 122.516 121.223 0.270 0.000 2.551 964 L HA -0.051 4.289 4.340 0.001 0.000 0.228 964 L C 1.646 178.656 176.870 0.233 0.000 1.153 964 L CA 0.931 55.937 54.840 0.276 0.000 0.851 964 L CB -0.749 41.410 42.059 0.168 0.000 0.959 964 L HN 0.430 nan 8.230 nan 0.000 0.451 965 T N -2.055 112.616 114.554 0.196 0.000 3.037 965 T HA -0.012 4.338 4.350 0.001 0.000 0.252 965 T C 1.774 176.567 174.700 0.154 0.000 1.073 965 T CA 0.207 62.409 62.100 0.170 0.000 1.091 965 T CB 0.238 69.207 68.868 0.169 0.000 0.935 965 T HN 0.231 nan 8.240 nan 0.000 0.488 966 Q N -0.493 119.388 119.800 0.135 0.000 2.435 966 Q HA 0.058 4.399 4.340 0.001 0.000 0.207 966 Q C 1.216 177.110 176.000 -0.176 0.000 0.956 966 Q CA 0.699 56.497 55.803 -0.008 0.000 0.917 966 Q CB 0.004 28.716 28.738 -0.043 0.000 0.997 966 Q HN 0.686 nan 8.270 nan 0.000 0.497 967 W N -0.300 121.035 121.300 0.058 0.000 2.735 967 W HA 0.053 4.713 4.660 0.001 0.000 0.264 967 W C 1.822 178.354 176.519 0.022 0.000 1.233 967 W CA -0.380 56.998 57.345 0.055 0.000 1.408 967 W CB 0.079 29.609 29.460 0.117 0.000 1.038 967 W HN 0.097 nan 8.180 nan 0.000 0.603 968 L N 0.686 122.054 121.223 0.241 0.000 2.131 968 L HA -0.148 4.192 4.340 0.001 0.000 0.210 968 L C 2.190 179.088 176.870 0.046 0.000 1.092 968 L CA 1.892 56.813 54.840 0.136 0.000 0.759 968 L CB -0.725 41.401 42.059 0.112 0.000 0.903 968 L HN 0.035 nan 8.230 nan 0.000 0.435 969 M N -1.574 118.001 119.600 -0.042 0.000 2.254 969 M HA -0.042 4.438 4.480 0.001 0.000 0.265 969 M C 1.903 178.062 176.300 -0.236 0.000 1.066 969 M CA 1.584 56.744 55.300 -0.233 0.000 1.123 969 M CB -0.467 31.809 32.600 -0.539 0.000 1.388 969 M HN 0.075 nan 8.290 nan 0.000 0.425 970 V N 0.103 119.933 119.914 -0.140 0.000 2.323 970 V HA -0.240 3.880 4.120 0.001 0.000 0.244 970 V C 2.404 178.517 176.094 0.031 0.000 1.041 970 V CA 1.637 63.886 62.300 -0.084 0.000 1.025 970 V CB -0.658 31.132 31.823 -0.056 0.000 0.656 970 V HN 0.490 nan 8.190 nan 0.000 0.451 971 L N -0.420 120.873 121.223 0.116 0.000 2.017 971 L HA -0.128 4.212 4.340 0.001 0.000 0.208 971 L C 2.395 179.303 176.870 0.065 0.000 1.073 971 L CA 1.354 56.259 54.840 0.110 0.000 0.745 971 L CB -0.827 41.308 42.059 0.127 0.000 0.894 971 L HN 0.252 nan 8.230 nan 0.000 0.432 972 K N 0.187 120.610 120.400 0.038 0.000 2.574 972 K HA 0.025 4.345 4.320 0.001 0.000 0.193 972 K C 1.386 178.000 176.600 0.022 0.000 1.035 972 K CA 0.868 57.171 56.287 0.026 0.000 0.982 972 K CB 0.069 32.576 32.500 0.011 0.000 0.795 972 K HN 0.382 nan 8.250 nan 0.000 0.491 973 I N -0.698 119.880 120.570 0.013 0.000 4.102 973 I HA 0.011 4.181 4.170 0.001 0.000 0.325 973 I C 0.481 176.647 176.117 0.081 0.000 1.471 973 I CA 0.161 61.479 61.300 0.029 0.000 1.133 973 I CB 0.623 38.574 38.000 -0.082 0.000 1.184 973 I HN -0.116 nan 8.210 nan 0.000 0.451 974 S N -0.291 115.469 115.700 0.100 0.000 3.186 974 S HA 0.206 4.676 4.470 0.001 0.000 0.253 974 S C 1.481 176.186 174.600 0.174 0.000 1.071 974 S CA -0.227 58.042 58.200 0.115 0.000 0.796 974 S CB 0.252 63.483 63.200 0.051 0.000 0.818 974 S HN 0.123 nan 8.310 nan 0.000 0.498 975 L N 2.582 123.875 121.223 0.116 0.000 2.051 975 L HA -0.102 4.238 4.340 0.001 0.000 0.214 975 L C -1.063 175.859 176.870 0.087 0.000 1.076 975 L CA 2.159 57.055 54.840 0.092 0.000 0.758 975 L CB -2.432 39.667 42.059 0.068 0.000 0.890 975 L HN 0.206 nan 8.230 nan 0.000 0.433 976 P HA -0.169 nan 4.420 nan 0.000 0.219 976 P C 2.017 179.282 177.300 -0.058 0.000 1.144 976 P CA 0.951 64.050 63.100 -0.002 0.000 0.806 976 P CB -0.055 31.628 31.700 -0.028 0.000 0.771 977 V N -0.543 119.420 119.914 0.081 0.000 2.469 977 V HA -0.263 3.857 4.120 0.001 0.000 0.251 977 V C 2.028 178.145 176.094 0.038 0.000 1.064 977 V CA 1.620 63.975 62.300 0.093 0.000 1.066 977 V CB -0.851 31.174 31.823 0.338 0.000 0.667 977 V HN 0.016 nan 8.190 nan 0.000 0.461 978 I N 0.364 120.963 120.570 0.049 0.000 2.076 978 I HA -0.166 4.004 4.170 0.001 0.000 0.237 978 I C 2.684 178.813 176.117 0.020 0.000 1.059 978 I CA 1.832 63.155 61.300 0.038 0.000 1.317 978 I CB -1.366 36.657 38.000 0.039 0.000 1.037 978 I HN 0.416 nan 8.210 nan 0.000 0.398 979 G N 1.156 109.958 108.800 0.003 0.000 2.475 979 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 979 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 979 G C 1.637 176.527 174.900 -0.017 0.000 1.125 979 G CA 0.877 45.973 45.100 -0.006 0.000 0.755 979 G HN 0.266 nan 8.290 nan 0.000 0.565 980 L N 1.035 122.224 121.223 -0.056 0.000 1.961 980 L HA -0.020 4.321 4.340 0.001 0.000 0.210 980 L C 2.193 179.053 176.870 -0.017 0.000 1.072 980 L CA 2.836 57.629 54.840 -0.078 0.000 0.749 980 L CB -0.983 40.969 42.059 -0.178 0.000 0.889 980 L HN 0.197 nan 8.230 nan 0.000 0.432 981 D N -1.015 119.385 120.400 -0.000 0.000 2.144 981 D HA -0.226 4.415 4.640 0.001 0.000 0.199 981 D C 2.090 178.444 176.300 0.089 0.000 0.984 981 D CA 1.030 55.053 54.000 0.038 0.000 0.834 981 D CB 0.003 40.831 40.800 0.046 0.000 0.955 981 D HN 0.492 nan 8.370 nan 0.000 0.465 982 E N -0.362 119.884 120.200 0.077 0.000 2.160 982 E HA -0.128 4.223 4.350 0.001 0.000 0.195 982 E C 1.649 178.347 176.600 0.163 0.000 0.991 982 E CA 0.833 57.297 56.400 0.106 0.000 0.810 982 E CB -0.106 29.639 29.700 0.075 0.000 0.742 982 E HN 0.307 nan 8.360 nan 0.000 0.466 983 I N 0.004 120.655 120.570 0.134 0.000 3.030 983 I HA -0.045 4.125 4.170 0.001 0.000 0.270 983 I C 1.809 178.075 176.117 0.249 0.000 1.211 983 I CA 0.497 61.900 61.300 0.171 0.000 1.479 983 I CB -0.629 37.422 38.000 0.084 0.000 1.105 983 I HN 0.193 nan 8.210 nan 0.000 0.447 984 L N 0.227 121.591 121.223 0.236 0.000 2.376 984 L HA -0.134 4.207 4.340 0.001 0.000 0.219 984 L C 2.299 179.463 176.870 0.491 0.000 1.133 984 L CA 1.019 56.091 54.840 0.387 0.000 0.816 984 L CB -0.251 41.922 42.059 0.190 0.000 0.933 984 L HN 0.173 nan 8.230 nan 0.000 0.449 985 K N -1.036 119.547 120.400 0.306 0.000 2.166 985 K HA -0.036 4.284 4.320 0.001 0.000 0.201 985 K C 1.924 178.607 176.600 0.140 0.000 1.052 985 K CA 0.773 57.188 56.287 0.213 0.000 0.969 985 K CB 0.009 32.596 32.500 0.146 0.000 0.761 985 K HN 0.042 nan 8.250 nan 0.000 0.459 986 F N 1.294 121.295 119.950 0.085 0.000 2.365 986 F HA -0.022 4.505 4.527 0.001 0.000 0.300 986 F C 1.390 177.228 175.800 0.064 0.000 1.090 986 F CA 0.853 58.887 58.000 0.057 0.000 1.408 986 F CB 0.315 39.353 39.000 0.063 0.000 1.060 986 F HN -0.078 nan 8.300 nan 0.000 0.534 987 I N -0.036 120.693 120.570 0.264 0.000 2.889 987 I HA 0.339 4.509 4.170 0.001 0.000 0.315 987 I C 0.406 176.399 176.117 -0.207 0.000 1.207 987 I CA 0.363 61.753 61.300 0.150 0.000 1.202 987 I CB -0.495 37.658 38.000 0.255 0.000 1.693 987 I HN 0.120 nan 8.210 nan 0.000 0.538 988 A N 2.832 125.508 122.820 -0.240 0.000 2.264 988 A HA 0.088 4.408 4.320 0.001 0.000 0.150 988 A C 1.733 179.148 177.584 -0.281 0.000 1.931 988 A CA -0.351 51.401 52.037 -0.476 0.000 1.453 988 A CB -0.237 18.440 19.000 -0.538 0.000 1.599 988 A HN 0.446 nan 8.150 nan 0.000 0.338 989 R N 0.028 120.400 120.500 -0.213 0.000 2.297 989 R HA 0.135 4.476 4.340 0.001 0.000 0.197 989 R C 0.759 176.906 176.300 -0.255 0.000 0.943 989 R CA 1.090 57.056 56.100 -0.222 0.000 1.038 989 R CB 0.041 30.184 30.300 -0.261 0.000 0.957 989 R HN 0.532 nan 8.270 nan 0.000 0.484 990 N N -1.505 117.037 118.700 -0.264 0.000 2.802 990 N HA -0.002 4.738 4.740 0.001 0.000 0.254 990 N C 0.367 175.656 175.510 -0.368 0.000 1.012 990 N CA 0.485 53.321 53.050 -0.358 0.000 0.986 990 N CB -0.050 38.160 38.487 -0.461 0.000 1.711 990 N HN 0.047 nan 8.380 nan 0.000 0.581 991 Y N 1.405 121.643 120.300 -0.103 0.000 2.457 991 Y HA 0.316 4.866 4.550 0.001 0.000 0.263 991 Y C 1.718 177.534 175.900 -0.139 0.000 1.164 991 Y CA -0.012 58.035 58.100 -0.088 0.000 1.274 991 Y CB 0.554 38.987 38.460 -0.045 0.000 1.097 991 Y HN 0.079 nan 8.280 nan 0.000 0.523 992 L N -0.158 120.997 121.223 -0.113 0.000 2.471 992 L HA 0.210 4.550 4.340 0.001 0.000 0.186 992 L C 0.513 177.290 176.870 -0.155 0.000 1.191 992 L CA 1.372 56.083 54.840 -0.215 0.000 0.835 992 L CB 0.205 41.951 42.059 -0.521 0.000 1.092 992 L HN 0.139 nan 8.230 nan 0.000 0.495 993 E N -0.491 119.603 120.200 -0.177 0.000 4.172 993 E HA 0.359 4.709 4.350 0.001 0.000 0.197 993 E C -0.518 176.014 176.600 -0.113 0.000 1.088 993 E CA -0.076 56.253 56.400 -0.118 0.000 1.461 993 E CB 0.520 30.161 29.700 -0.099 0.000 1.180 993 E HN 0.544 nan 8.360 nan 0.000 0.419 994 G N 0.000 108.721 108.800 -0.131 0.000 5.446 994 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 994 G CA 0.000 45.023 45.100 -0.128 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925