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 3ar2_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 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.212 55.300 -0.146 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.068 0.000 1.302 2 E N 3.989 124.130 120.200 -0.098 0.000 2.227 2 E HA 0.714 5.064 4.350 0.001 0.000 0.282 2 E C 0.218 176.801 176.600 -0.029 0.000 1.015 2 E CA 0.661 57.050 56.400 -0.017 0.000 0.823 2 E CB 1.472 31.179 29.700 0.012 0.000 1.081 2 E HN 1.214 nan 8.360 nan 0.000 0.396 3 A N 2.647 125.504 122.820 0.062 0.000 2.519 3 A HA -0.213 4.107 4.320 0.001 0.000 0.297 3 A C 1.304 178.824 177.584 -0.106 0.000 1.472 3 A CA 0.922 52.980 52.037 0.034 0.000 0.739 3 A CB -1.779 17.170 19.000 -0.085 0.000 1.096 3 A HN 0.692 nan 8.150 nan 0.000 0.414 4 A N 0.875 123.719 122.820 0.040 0.000 2.119 4 A HA 0.053 4.373 4.320 0.001 0.000 0.217 4 A C 1.694 179.282 177.584 0.008 0.000 1.153 4 A CA 1.524 53.552 52.037 -0.016 0.000 0.692 4 A CB -0.711 18.297 19.000 0.013 0.000 0.799 4 A HN 1.532 nan 8.150 nan 0.000 0.458 5 H N -1.095 117.969 119.070 -0.011 0.000 2.546 5 H HA 0.081 4.637 4.556 0.001 0.000 0.277 5 H C 1.446 176.776 175.328 0.004 0.000 1.004 5 H CA 1.324 57.372 56.048 0.000 0.000 1.231 5 H CB -0.476 29.300 29.762 0.024 0.000 1.382 5 H HN 0.373 nan 8.280 nan 0.000 0.580 6 S N 0.182 115.614 115.700 -0.445 0.000 2.421 6 S HA 0.067 4.537 4.470 0.001 0.000 0.224 6 S C 0.840 175.357 174.600 -0.137 0.000 1.035 6 S CA 0.096 58.111 58.200 -0.309 0.000 0.953 6 S CB 0.478 63.460 63.200 -0.364 0.000 0.810 6 S HN 0.350 nan 8.310 nan 0.000 0.497 7 K N 2.122 122.455 120.400 -0.113 0.000 2.087 7 K HA 0.407 4.727 4.320 0.001 0.000 0.255 7 K C 0.459 177.044 176.600 -0.025 0.000 0.988 7 K CA -0.381 55.873 56.287 -0.055 0.000 0.915 7 K CB 1.080 33.550 32.500 -0.049 0.000 1.043 7 K HN 0.280 nan 8.250 nan 0.000 0.457 8 S N -0.423 115.273 115.700 -0.006 0.000 2.633 8 S HA -0.040 4.431 4.470 0.001 0.000 0.257 8 S C 1.554 176.163 174.600 0.016 0.000 1.265 8 S CA 0.226 58.429 58.200 0.006 0.000 0.980 8 S CB 0.610 63.814 63.200 0.008 0.000 1.017 8 S HN 0.777 nan 8.310 nan 0.000 0.577 9 T N -1.285 113.281 114.554 0.019 0.000 2.777 9 T HA -0.129 4.221 4.350 0.001 0.000 0.266 9 T C 1.419 176.143 174.700 0.040 0.000 1.040 9 T CA 1.475 63.590 62.100 0.025 0.000 1.141 9 T CB -1.012 67.866 68.868 0.016 0.000 0.868 9 T HN 0.740 nan 8.240 nan 0.000 0.444 10 E N 1.379 121.601 120.200 0.036 0.000 2.077 10 E HA -0.122 4.228 4.350 0.001 0.000 0.193 10 E C 2.444 179.083 176.600 0.065 0.000 0.989 10 E CA 1.293 57.719 56.400 0.045 0.000 0.800 10 E CB -0.192 29.526 29.700 0.031 0.000 0.746 10 E HN 0.679 nan 8.360 nan 0.000 0.452 11 E N 0.315 120.550 120.200 0.059 0.000 2.077 11 E HA -0.177 4.173 4.350 0.001 0.000 0.193 11 E C 2.205 178.880 176.600 0.126 0.000 0.989 11 E CA 1.203 57.649 56.400 0.077 0.000 0.800 11 E CB -0.125 29.603 29.700 0.046 0.000 0.746 11 E HN 0.318 nan 8.360 nan 0.000 0.452 12 C N 0.540 119.906 119.300 0.110 0.000 2.466 12 C HA -0.020 4.441 4.460 0.001 0.000 0.278 12 C C 2.655 177.831 174.990 0.311 0.000 1.288 12 C CA 0.054 59.175 59.018 0.171 0.000 1.722 12 C CB -0.871 26.939 27.740 0.116 0.000 2.017 12 C HN 0.369 nan 8.230 nan 0.000 0.488 13 L N 1.312 122.657 121.223 0.202 0.000 1.989 13 L HA -0.192 4.149 4.340 0.001 0.000 0.211 13 L C 2.909 179.915 176.870 0.226 0.000 1.071 13 L CA 1.877 56.834 54.840 0.193 0.000 0.749 13 L CB -0.734 41.387 42.059 0.103 0.000 0.890 13 L HN 0.348 nan 8.230 nan 0.000 0.431 14 A N -1.074 121.849 122.820 0.171 0.000 1.902 14 A HA -0.298 4.022 4.320 0.001 0.000 0.217 14 A C 2.182 179.854 177.584 0.147 0.000 1.181 14 A CA 1.517 53.633 52.037 0.132 0.000 0.623 14 A CB -1.033 18.017 19.000 0.084 0.000 0.818 14 A HN 0.495 nan 8.150 nan 0.000 0.443 15 Y N -0.579 119.733 120.300 0.019 0.000 2.181 15 Y HA -0.271 4.280 4.550 0.001 0.000 0.284 15 Y C 1.586 177.366 175.900 -0.200 0.000 1.179 15 Y CA 2.099 60.125 58.100 -0.123 0.000 1.179 15 Y CB -0.360 37.971 38.460 -0.215 0.000 0.973 15 Y HN 0.305 nan 8.280 nan 0.000 0.519 16 F N -0.754 119.381 119.950 0.308 0.000 2.746 16 F HA 0.310 4.838 4.527 0.001 0.000 0.297 16 F C 1.650 177.562 175.800 0.187 0.000 1.113 16 F CA 0.544 58.710 58.000 0.277 0.000 1.367 16 F CB 0.118 39.296 39.000 0.296 0.000 1.111 16 F HN 0.016 nan 8.300 nan 0.000 0.590 17 G N 1.846 110.811 108.800 0.275 0.000 2.368 17 G HA2 -0.129 3.831 3.960 0.001 0.000 0.290 17 G HA3 -0.129 3.831 3.960 0.001 0.000 0.290 17 G C -0.704 174.289 174.900 0.154 0.000 1.098 17 G CA 0.040 45.239 45.100 0.165 0.000 1.073 17 G HN 0.194 nan 8.290 nan 0.000 0.511 18 V N -0.649 119.357 119.914 0.153 0.000 2.789 18 V HA 0.761 4.881 4.120 0.001 0.000 0.311 18 V C 0.505 176.639 176.094 0.066 0.000 1.073 18 V CA -0.830 61.529 62.300 0.098 0.000 0.921 18 V CB 2.150 34.028 31.823 0.092 0.000 1.009 18 V HN 0.495 nan 8.190 nan 0.000 0.426 19 S N 1.499 117.222 115.700 0.039 0.000 2.489 19 S HA 0.181 4.651 4.470 0.001 0.000 0.277 19 S C 1.097 175.696 174.600 -0.002 0.000 1.230 19 S CA -0.314 57.898 58.200 0.020 0.000 1.053 19 S CB 1.267 64.475 63.200 0.014 0.000 0.955 19 S HN 0.964 nan 8.310 nan 0.000 0.488 20 E N 2.640 122.831 120.200 -0.015 0.000 2.114 20 E HA -0.249 4.101 4.350 0.001 0.000 0.199 20 E C 1.540 178.067 176.600 -0.121 0.000 1.008 20 E CA 1.932 58.301 56.400 -0.051 0.000 0.810 20 E CB -0.005 29.667 29.700 -0.047 0.000 0.739 20 E HN 0.806 nan 8.360 nan 0.000 0.456 21 T N -3.770 110.711 114.554 -0.123 0.000 3.069 21 T HA 0.175 4.525 4.350 0.001 0.000 0.252 21 T C 1.352 175.981 174.700 -0.118 0.000 1.053 21 T CA 0.390 62.356 62.100 -0.223 0.000 0.964 21 T CB 0.689 69.456 68.868 -0.169 0.000 1.005 21 T HN -0.039 nan 8.240 nan 0.000 0.532 22 T N 0.813 115.353 114.554 -0.024 0.000 3.044 22 T HA 0.560 4.910 4.350 0.001 0.000 0.237 22 T C 1.077 175.832 174.700 0.091 0.000 1.001 22 T CA 0.667 62.798 62.100 0.053 0.000 1.160 22 T CB -0.282 68.606 68.868 0.032 0.000 0.889 22 T HN 0.897 nan 8.240 nan 0.000 0.442 23 G N 1.532 110.364 108.800 0.054 0.000 2.795 23 G HA2 -0.033 3.927 3.960 0.001 0.000 0.664 23 G HA3 -0.033 3.927 3.960 0.001 0.000 0.664 23 G C -0.951 173.964 174.900 0.025 0.000 1.381 23 G CA -1.112 44.020 45.100 0.055 0.000 0.853 23 G HN 0.366 nan 8.290 nan 0.000 0.545 24 L N 1.165 122.386 121.223 -0.004 0.000 2.543 24 L HA 0.396 4.736 4.340 0.001 0.000 0.285 24 L C 1.935 178.787 176.870 -0.031 0.000 1.236 24 L CA 0.897 55.711 54.840 -0.044 0.000 0.871 24 L CB 0.059 42.057 42.059 -0.101 0.000 1.121 24 L HN 1.089 nan 8.230 nan 0.000 0.501 25 T N 1.113 115.643 114.554 -0.040 0.000 2.904 25 T HA 0.317 4.667 4.350 0.001 0.000 0.290 25 T C -1.638 173.041 174.700 -0.035 0.000 1.018 25 T CA -1.585 60.501 62.100 -0.025 0.000 1.075 25 T CB 0.981 69.838 68.868 -0.018 0.000 0.986 25 T HN 0.528 nan 8.240 nan 0.000 0.523 26 P HA -0.198 nan 4.420 nan 0.000 0.216 26 P C 0.980 178.268 177.300 -0.021 0.000 1.154 26 P CA 1.580 64.670 63.100 -0.016 0.000 0.865 26 P CB 0.014 31.710 31.700 -0.006 0.000 0.789 27 D N -0.920 119.468 120.400 -0.020 0.000 2.269 27 D HA -0.135 4.505 4.640 0.001 0.000 0.208 27 D C 2.165 178.444 176.300 -0.034 0.000 0.963 27 D CA 0.817 54.807 54.000 -0.016 0.000 0.864 27 D CB -0.274 40.521 40.800 -0.007 0.000 0.936 27 D HN 0.169 nan 8.370 nan 0.000 0.505 28 Q N -0.726 119.026 119.800 -0.081 0.000 2.245 28 Q HA -0.029 4.311 4.340 0.001 0.000 0.201 28 Q C 2.065 177.912 176.000 -0.255 0.000 0.955 28 Q CA 0.537 56.217 55.803 -0.205 0.000 0.870 28 Q CB 0.445 29.022 28.738 -0.268 0.000 0.945 28 Q HN 0.243 nan 8.270 nan 0.000 0.461 29 V N 1.176 121.020 119.914 -0.117 0.000 2.346 29 V HA -0.228 3.892 4.120 0.001 0.000 0.244 29 V C 2.282 178.384 176.094 0.013 0.000 1.037 29 V CA 1.606 63.881 62.300 -0.042 0.000 1.029 29 V CB -0.488 31.320 31.823 -0.025 0.000 0.663 29 V HN 0.317 nan 8.190 nan 0.000 0.454 30 K N 0.654 121.056 120.400 0.003 0.000 2.020 30 K HA -0.313 4.007 4.320 0.001 0.000 0.212 30 K C 2.341 178.963 176.600 0.036 0.000 1.050 30 K CA 2.401 58.696 56.287 0.014 0.000 0.929 30 K CB -0.212 32.293 32.500 0.009 0.000 0.714 30 K HN 0.249 nan 8.250 nan 0.000 0.443 31 R N 0.436 120.970 120.500 0.057 0.000 2.081 31 R HA -0.095 4.245 4.340 0.001 0.000 0.235 31 R C 2.104 178.519 176.300 0.191 0.000 1.131 31 R CA 2.043 58.204 56.100 0.102 0.000 0.960 31 R CB -0.686 29.684 30.300 0.117 0.000 0.856 31 R HN 0.521 nan 8.270 nan 0.000 0.436 32 H N -0.933 118.182 119.070 0.076 0.000 2.389 32 H HA -0.066 4.490 4.556 0.001 0.000 0.299 32 H C 1.797 177.215 175.328 0.149 0.000 1.081 32 H CA 1.060 57.220 56.048 0.187 0.000 1.345 32 H CB 0.149 30.077 29.762 0.278 0.000 1.393 32 H HN 0.100 nan 8.280 nan 0.000 0.520 33 L N 1.305 122.627 121.223 0.166 0.000 2.079 33 L HA -0.183 4.158 4.340 0.001 0.000 0.210 33 L C 2.075 178.926 176.870 -0.031 0.000 1.081 33 L CA 1.594 56.433 54.840 -0.002 0.000 0.752 33 L CB -0.158 41.836 42.059 -0.109 0.000 0.896 33 L HN 0.277 nan 8.230 nan 0.000 0.433 34 E N -1.023 119.169 120.200 -0.013 0.000 2.046 34 E HA -0.241 4.110 4.350 0.001 0.000 0.190 34 E C 2.066 178.614 176.600 -0.088 0.000 0.982 34 E CA 1.013 57.389 56.400 -0.040 0.000 0.800 34 E CB -0.157 29.526 29.700 -0.028 0.000 0.756 34 E HN 0.349 nan 8.360 nan 0.000 0.449 35 K N -0.001 120.293 120.400 -0.177 0.000 2.211 35 K HA -0.123 4.197 4.320 0.001 0.000 0.203 35 K C 0.790 177.096 176.600 -0.490 0.000 1.050 35 K CA 1.152 57.190 56.287 -0.416 0.000 0.945 35 K CB 0.194 32.269 32.500 -0.708 0.000 0.732 35 K HN 0.149 nan 8.250 nan 0.000 0.451 36 Y N -0.740 119.559 120.300 -0.001 0.000 2.471 36 Y HA 0.292 4.843 4.550 0.001 0.000 0.249 36 Y C 0.778 176.679 175.900 0.001 0.000 1.116 36 Y CA 0.062 58.166 58.100 0.006 0.000 1.240 36 Y CB 0.964 39.433 38.460 0.016 0.000 1.251 36 Y HN 0.192 nan 8.280 nan 0.000 0.527 37 G N 0.615 109.468 108.800 0.088 0.000 2.877 37 G HA2 -0.239 3.722 3.960 0.001 0.000 0.279 37 G HA3 -0.239 3.722 3.960 0.001 0.000 0.279 37 G C -0.528 174.378 174.900 0.010 0.000 1.431 37 G CA -0.558 44.562 45.100 0.034 0.000 0.883 37 G HN 0.341 nan 8.290 nan 0.000 0.547 38 H N -0.019 119.094 119.070 0.071 0.000 2.745 38 H HA 0.193 4.749 4.556 0.001 0.000 0.373 38 H C 1.069 176.427 175.328 0.050 0.000 1.226 38 H CA 0.676 56.757 56.048 0.056 0.000 1.435 38 H CB 0.794 30.578 29.762 0.036 0.000 1.461 38 H HN 0.539 nan 8.280 nan 0.000 0.616 39 N N 1.781 120.593 118.700 0.186 0.000 2.868 39 N HA 0.023 4.763 4.740 0.001 0.000 0.252 39 N C -0.757 174.800 175.510 0.079 0.000 1.130 39 N CA -0.193 52.918 53.050 0.101 0.000 1.026 39 N CB 0.029 38.557 38.487 0.067 0.000 1.335 39 N HN 0.659 nan 8.380 nan 0.000 0.516 40 E N 0.997 121.242 120.200 0.076 0.000 2.415 40 E HA 0.412 4.763 4.350 0.001 0.000 0.271 40 E C -1.475 175.151 176.600 0.043 0.000 1.094 40 E CA -0.915 55.514 56.400 0.048 0.000 0.881 40 E CB 0.837 30.557 29.700 0.033 0.000 1.581 40 E HN 0.101 nan 8.360 nan 0.000 0.460 41 L N -0.145 121.095 121.223 0.029 0.000 2.309 41 L HA 0.556 4.896 4.340 0.001 0.000 0.261 41 L C -2.394 174.488 176.870 0.019 0.000 1.021 41 L CA -2.313 52.542 54.840 0.025 0.000 0.823 41 L CB 1.868 43.939 42.059 0.020 0.000 1.366 41 L HN 0.482 nan 8.230 nan 0.000 0.423 42 P HA 0.191 nan 4.420 nan 0.000 0.266 42 P C -0.406 176.899 177.300 0.008 0.000 1.215 42 P CA -0.138 62.969 63.100 0.013 0.000 0.763 42 P CB 0.720 32.428 31.700 0.013 0.000 0.806 43 A N 3.732 126.555 122.820 0.004 0.000 2.433 43 A HA 0.101 4.422 4.320 0.001 0.000 0.250 43 A C 0.151 177.735 177.584 0.001 0.000 1.113 43 A CA -0.052 51.986 52.037 0.001 0.000 0.794 43 A CB 0.059 19.058 19.000 -0.002 0.000 1.067 43 A HN 0.602 nan 8.150 nan 0.000 0.510 44 E N 0.257 120.456 120.200 -0.001 0.000 2.158 44 E HA 0.429 4.779 4.350 0.001 0.000 0.271 44 E C -0.645 175.952 176.600 -0.005 0.000 0.911 44 E CA -0.636 55.763 56.400 -0.002 0.000 0.767 44 E CB 1.468 31.167 29.700 -0.002 0.000 1.120 44 E HN 0.610 nan 8.360 nan 0.000 0.405 45 E N 0.876 121.073 120.200 -0.006 0.000 2.639 45 E HA 0.627 4.978 4.350 0.001 0.000 0.219 45 E C -0.219 176.374 176.600 -0.011 0.000 0.800 45 E CA -1.180 55.214 56.400 -0.010 0.000 1.002 45 E CB 1.373 31.068 29.700 -0.008 0.000 1.621 45 E HN 0.539 nan 8.360 nan 0.000 0.396 46 G N 0.886 109.678 108.800 -0.014 0.000 2.562 46 G HA2 0.347 4.307 3.960 0.001 0.000 0.298 46 G HA3 0.347 4.307 3.960 0.001 0.000 0.298 46 G C -0.155 174.738 174.900 -0.012 0.000 1.499 46 G CA -0.352 44.740 45.100 -0.014 0.000 1.036 46 G HN 0.080 nan 8.290 nan 0.000 0.543 47 K N 0.604 121.006 120.400 0.003 0.000 2.065 47 K HA 0.242 4.562 4.320 0.001 0.000 0.211 47 K C 1.218 177.836 176.600 0.031 0.000 1.025 47 K CA 0.586 56.879 56.287 0.011 0.000 0.948 47 K CB -0.001 32.507 32.500 0.013 0.000 0.798 47 K HN 0.334 nan 8.250 nan 0.000 0.450 48 S N 2.019 117.753 115.700 0.057 0.000 2.416 48 S HA 0.207 4.677 4.470 0.001 0.000 0.287 48 S C 0.479 175.160 174.600 0.135 0.000 1.139 48 S CA -0.393 57.878 58.200 0.118 0.000 1.058 48 S CB 0.157 63.441 63.200 0.140 0.000 0.967 48 S HN 0.177 nan 8.310 nan 0.000 0.495 49 L N 2.441 123.730 121.223 0.110 0.000 2.713 49 L HA 0.098 4.438 4.340 0.001 0.000 0.245 49 L C 1.701 178.637 176.870 0.110 0.000 1.169 49 L CA -0.124 54.758 54.840 0.069 0.000 0.962 49 L CB -0.464 41.599 42.059 0.005 0.000 1.161 49 L HN 0.723 nan 8.230 nan 0.000 0.427 50 W N 2.704 124.007 121.300 0.004 0.000 2.358 50 W HA -0.170 4.491 4.660 0.001 0.000 0.303 50 W C 2.182 178.711 176.519 0.017 0.000 1.208 50 W CA 2.077 59.433 57.345 0.017 0.000 1.274 50 W CB 0.141 29.612 29.460 0.018 0.000 1.138 50 W HN 0.508 nan 8.180 nan 0.000 0.515 51 E N 0.278 120.647 120.200 0.282 0.000 2.347 51 E HA -0.183 4.167 4.350 0.001 0.000 0.196 51 E C 1.845 178.491 176.600 0.078 0.000 1.008 51 E CA 0.788 57.292 56.400 0.174 0.000 0.852 51 E CB -1.039 28.733 29.700 0.120 0.000 0.783 51 E HN 0.280 nan 8.360 nan 0.000 0.505 52 L N 0.585 121.833 121.223 0.042 0.000 2.567 52 L HA 0.089 4.429 4.340 0.001 0.000 0.225 52 L C 1.872 178.702 176.870 -0.066 0.000 1.119 52 L CA 0.342 55.174 54.840 -0.013 0.000 0.871 52 L CB 0.525 42.574 42.059 -0.017 0.000 1.036 52 L HN -0.082 nan 8.230 nan 0.000 0.459 53 V N -1.335 118.529 119.914 -0.083 0.000 2.672 53 V HA -0.066 4.054 4.120 0.001 0.000 0.242 53 V C 2.137 178.161 176.094 -0.117 0.000 1.059 53 V CA 0.956 63.157 62.300 -0.164 0.000 1.081 53 V CB 0.073 31.744 31.823 -0.254 0.000 0.752 53 V HN 0.322 nan 8.190 nan 0.000 0.472 54 I N 0.842 121.404 120.570 -0.013 0.000 2.248 54 I HA -0.283 3.887 4.170 0.001 0.000 0.248 54 I C 2.296 178.437 176.117 0.039 0.000 1.107 54 I CA 1.944 63.294 61.300 0.083 0.000 1.373 54 I CB -0.217 37.861 38.000 0.129 0.000 1.055 54 I HN 0.382 nan 8.210 nan 0.000 0.418 55 E N -0.398 119.789 120.200 -0.022 0.000 2.268 55 E HA -0.210 4.141 4.350 0.001 0.000 0.195 55 E C 1.977 178.509 176.600 -0.112 0.000 0.995 55 E CA 0.637 57.011 56.400 -0.042 0.000 0.836 55 E CB -0.068 29.608 29.700 -0.040 0.000 0.763 55 E HN 0.578 nan 8.360 nan 0.000 0.491 56 Q N -0.553 119.097 119.800 -0.250 0.000 2.224 56 Q HA -0.078 4.262 4.340 0.001 0.000 0.203 56 Q C 0.536 176.242 176.000 -0.491 0.000 0.970 56 Q CA 0.907 56.444 55.803 -0.444 0.000 0.865 56 Q CB 0.088 28.407 28.738 -0.699 0.000 0.922 56 Q HN 0.279 nan 8.270 nan 0.000 0.445 57 F N 0.042 119.970 119.950 -0.037 0.000 2.963 57 F HA 0.284 4.812 4.527 0.001 0.000 0.321 57 F C 1.161 176.948 175.800 -0.021 0.000 1.234 57 F CA -0.325 57.654 58.000 -0.034 0.000 1.296 57 F CB 0.439 39.411 39.000 -0.046 0.000 0.981 57 F HN -0.021 nan 8.300 nan 0.000 0.507 58 E N -1.130 119.124 120.200 0.090 0.000 2.441 58 E HA -0.004 4.346 4.350 0.001 0.000 0.212 58 E C 0.479 177.103 176.600 0.040 0.000 0.840 58 E CA -0.113 56.324 56.400 0.062 0.000 1.143 58 E CB 0.503 30.225 29.700 0.036 0.000 1.153 58 E HN 0.213 nan 8.360 nan 0.000 0.539 59 D N 1.044 121.460 120.400 0.027 0.000 2.390 59 D HA -0.074 4.566 4.640 0.001 0.000 0.236 59 D C 1.207 177.524 176.300 0.028 0.000 1.189 59 D CA -0.029 53.983 54.000 0.019 0.000 0.887 59 D CB 1.424 42.229 40.800 0.008 0.000 1.198 59 D HN -0.051 nan 8.370 nan 0.000 0.444 60 L N 3.750 124.985 121.223 0.019 0.000 1.989 60 L HA -0.201 4.140 4.340 0.001 0.000 0.211 60 L C 2.247 179.125 176.870 0.015 0.000 1.071 60 L CA 1.633 56.483 54.840 0.015 0.000 0.749 60 L CB -0.495 41.569 42.059 0.008 0.000 0.890 60 L HN 0.569 nan 8.230 nan 0.000 0.431 61 L N -0.720 120.511 121.223 0.014 0.000 2.079 61 L HA -0.181 4.160 4.340 0.001 0.000 0.210 61 L C 2.565 179.449 176.870 0.024 0.000 1.081 61 L CA 1.415 56.263 54.840 0.012 0.000 0.752 61 L CB -1.003 41.065 42.059 0.015 0.000 0.896 61 L HN 0.462 nan 8.230 nan 0.000 0.433 62 V N -2.863 117.077 119.914 0.044 0.000 2.719 62 V HA -0.120 4.000 4.120 0.001 0.000 0.252 62 V C 2.431 178.565 176.094 0.068 0.000 1.065 62 V CA 0.965 63.311 62.300 0.076 0.000 1.086 62 V CB -0.628 31.274 31.823 0.131 0.000 0.700 62 V HN 0.328 nan 8.190 nan 0.000 0.467 63 R N 0.103 120.633 120.500 0.050 0.000 2.092 63 R HA 0.132 4.472 4.340 0.001 0.000 0.231 63 R C 2.327 178.630 176.300 0.006 0.000 1.119 63 R CA 1.893 58.010 56.100 0.028 0.000 0.970 63 R CB -0.422 29.894 30.300 0.027 0.000 0.864 63 R HN 0.495 nan 8.270 nan 0.000 0.440 64 I N 0.527 121.099 120.570 0.003 0.000 2.226 64 I HA -0.281 3.890 4.170 0.001 0.000 0.245 64 I C 1.838 177.944 176.117 -0.018 0.000 1.100 64 I CA 1.117 62.411 61.300 -0.010 0.000 1.374 64 I CB -0.104 37.887 38.000 -0.014 0.000 1.057 64 I HN 0.116 nan 8.210 nan 0.000 0.413 65 L N -0.326 120.890 121.223 -0.011 0.000 2.156 65 L HA -0.163 4.177 4.340 0.001 0.000 0.208 65 L C 2.221 179.070 176.870 -0.035 0.000 1.095 65 L CA 1.220 56.048 54.840 -0.020 0.000 0.770 65 L CB -0.548 41.510 42.059 -0.003 0.000 0.914 65 L HN 0.173 nan 8.230 nan 0.000 0.439 66 L N -1.212 119.991 121.223 -0.033 0.000 2.083 66 L HA -0.181 4.159 4.340 0.001 0.000 0.209 66 L C 2.235 179.068 176.870 -0.061 0.000 1.083 66 L CA 1.472 56.269 54.840 -0.073 0.000 0.752 66 L CB -0.401 41.614 42.059 -0.072 0.000 0.899 66 L HN 0.216 nan 8.230 nan 0.000 0.433 67 L N -0.826 120.376 121.223 -0.035 0.000 2.044 67 L HA -0.010 4.331 4.340 0.001 0.000 0.205 67 L C 2.520 179.377 176.870 -0.021 0.000 1.075 67 L CA 1.820 56.647 54.840 -0.022 0.000 0.747 67 L CB -0.851 41.201 42.059 -0.012 0.000 0.903 67 L HN 0.224 nan 8.230 nan 0.000 0.435 68 A N -0.044 122.756 122.820 -0.034 0.000 1.859 68 A HA -0.270 4.050 4.320 0.001 0.000 0.217 68 A C 2.465 180.026 177.584 -0.038 0.000 1.198 68 A CA 2.422 54.430 52.037 -0.048 0.000 0.629 68 A CB -1.479 17.483 19.000 -0.063 0.000 0.830 68 A HN 0.589 nan 8.150 nan 0.000 0.446 69 A N -1.462 121.332 122.820 -0.044 0.000 1.978 69 A HA -0.217 4.103 4.320 0.001 0.000 0.220 69 A C 2.400 179.973 177.584 -0.018 0.000 1.170 69 A CA 1.873 53.883 52.037 -0.044 0.000 0.636 69 A CB -1.396 17.550 19.000 -0.089 0.000 0.810 69 A HN 0.851 nan 8.150 nan 0.000 0.448 70 C N -0.520 118.771 119.300 -0.015 0.000 2.453 70 C HA -0.041 4.419 4.460 0.001 0.000 0.277 70 C C 2.478 177.520 174.990 0.087 0.000 1.262 70 C CA 1.075 60.112 59.018 0.031 0.000 1.718 70 C CB -1.078 26.668 27.740 0.010 0.000 2.031 70 C HN 0.571 nan 8.230 nan 0.000 0.480 71 I N 0.893 121.492 120.570 0.049 0.000 2.286 71 I HA -0.102 4.069 4.170 0.001 0.000 0.248 71 I C 2.663 178.807 176.117 0.044 0.000 1.115 71 I CA 1.690 63.023 61.300 0.054 0.000 1.392 71 I CB -1.697 36.346 38.000 0.072 0.000 1.065 71 I HN 0.369 nan 8.210 nan 0.000 0.418 72 S N -0.214 115.502 115.700 0.026 0.000 2.595 72 S HA -0.104 4.367 4.470 0.001 0.000 0.235 72 S C 1.550 176.152 174.600 0.004 0.000 0.974 72 S CA 0.455 58.653 58.200 -0.004 0.000 0.942 72 S CB -0.385 62.803 63.200 -0.020 0.000 0.766 72 S HN 0.388 nan 8.310 nan 0.000 0.536 73 F N 0.355 120.225 119.950 -0.133 0.000 2.717 73 F HA 0.328 4.856 4.527 0.001 0.000 0.295 73 F C 1.536 177.283 175.800 -0.088 0.000 1.117 73 F CA 0.086 57.970 58.000 -0.194 0.000 1.361 73 F CB 0.233 39.182 39.000 -0.085 0.000 1.112 73 F HN 0.037 nan 8.300 nan 0.000 0.594 74 V N -0.001 119.902 119.914 -0.019 0.000 2.719 74 V HA -0.175 3.945 4.120 0.001 0.000 0.252 74 V C 1.841 177.860 176.094 -0.125 0.000 1.065 74 V CA 1.215 63.479 62.300 -0.060 0.000 1.086 74 V CB -0.449 31.324 31.823 -0.083 0.000 0.700 74 V HN 0.181 nan 8.190 nan 0.000 0.467 75 L N 0.147 121.299 121.223 -0.118 0.000 2.529 75 L HA 0.278 4.618 4.340 0.001 0.000 0.223 75 L C 2.412 179.223 176.870 -0.098 0.000 1.113 75 L CA 1.258 56.064 54.840 -0.056 0.000 0.861 75 L CB -0.789 41.254 42.059 -0.027 0.000 1.012 75 L HN 0.218 nan 8.230 nan 0.000 0.461 76 A N -0.881 121.706 122.820 -0.388 0.000 1.898 76 A HA -0.182 4.138 4.320 0.001 0.000 0.216 76 A C 1.821 179.103 177.584 -0.504 0.000 1.181 76 A CA 1.329 52.879 52.037 -0.812 0.000 0.620 76 A CB -0.877 17.009 19.000 -1.857 0.000 0.819 76 A HN 0.572 nan 8.150 nan 0.000 0.442 77 W N -2.492 118.737 121.300 -0.119 0.000 3.256 77 W HA 0.264 4.924 4.660 0.000 0.000 0.269 77 W C 0.269 176.845 176.519 0.096 0.000 1.310 77 W CA -0.448 56.925 57.345 0.046 0.000 1.673 77 W CB 0.057 29.527 29.460 0.017 0.000 1.115 77 W HN 0.243 nan 8.180 nan 0.000 0.686 78 F N 0.572 120.567 119.950 0.074 0.000 2.855 78 F HA 0.262 4.789 4.527 0.001 0.000 0.317 78 F C 0.264 176.078 175.800 0.022 0.000 1.169 78 F CA -0.665 57.365 58.000 0.049 0.000 1.299 78 F CB -0.174 38.841 39.000 0.025 0.000 0.962 78 F HN -0.312 nan 8.300 nan 0.000 0.506 79 E N 1.679 121.967 120.200 0.146 0.000 2.183 79 E HA 0.238 4.588 4.350 0.001 0.000 0.271 79 E C -0.337 176.302 176.600 0.066 0.000 0.919 79 E CA -0.646 55.810 56.400 0.094 0.000 0.781 79 E CB 0.875 30.622 29.700 0.077 0.000 1.140 79 E HN 0.200 nan 8.360 nan 0.000 0.402 80 E N 2.537 122.764 120.200 0.045 0.000 2.373 80 E HA 0.191 4.542 4.350 0.001 0.000 0.267 80 E C 0.125 176.736 176.600 0.020 0.000 1.032 80 E CA -0.353 56.062 56.400 0.024 0.000 0.889 80 E CB 0.704 30.413 29.700 0.015 0.000 0.984 80 E HN 0.630 nan 8.360 nan 0.000 0.425 81 G N 2.288 111.094 108.800 0.009 0.000 2.852 81 G HA2 0.152 4.112 3.960 0.001 0.000 0.280 81 G HA3 0.152 4.112 3.960 0.001 0.000 0.280 81 G C 0.284 175.180 174.900 -0.007 0.000 0.731 81 G CA 0.113 45.212 45.100 -0.001 0.000 2.037 81 G HN 0.664 nan 8.290 nan 0.000 0.560 82 E N -0.346 119.850 120.200 -0.007 0.000 2.349 82 E HA 0.008 4.358 4.350 0.001 0.000 0.230 82 E C 0.853 177.446 176.600 -0.012 0.000 1.073 82 E CA -0.194 56.200 56.400 -0.011 0.000 1.635 82 E CB 0.252 29.948 29.700 -0.007 0.000 3.361 82 E HN 0.148 nan 8.360 nan 0.000 1.066 83 E N 0.675 120.873 120.200 -0.004 0.000 2.812 83 E HA 0.248 4.599 4.350 0.001 0.000 0.211 83 E C 0.285 176.889 176.600 0.007 0.000 0.986 83 E CA 0.272 56.669 56.400 -0.005 0.000 1.119 83 E CB 0.968 30.669 29.700 0.002 0.000 1.046 83 E HN 0.248 nan 8.360 nan 0.000 0.474 84 T N 1.123 115.684 114.554 0.012 0.000 2.833 84 T HA -0.145 4.205 4.350 0.001 0.000 0.269 84 T C 1.830 176.557 174.700 0.045 0.000 1.054 84 T CA 0.678 62.810 62.100 0.053 0.000 1.135 84 T CB -0.057 68.813 68.868 0.004 0.000 0.869 84 T HN 0.142 nan 8.240 nan 0.000 0.466 85 I N 1.366 121.917 120.570 -0.033 0.000 2.530 85 I HA -0.143 4.028 4.170 0.001 0.000 0.257 85 I C 1.781 177.869 176.117 -0.048 0.000 1.179 85 I CA 1.358 62.622 61.300 -0.060 0.000 1.440 85 I CB -0.209 37.751 38.000 -0.067 0.000 1.087 85 I HN 0.139 nan 8.210 nan 0.000 0.440 86 T N -0.436 114.094 114.554 -0.040 0.000 3.023 86 T HA 0.331 4.681 4.350 0.001 0.000 0.253 86 T C 1.622 176.294 174.700 -0.046 0.000 1.038 86 T CA 0.527 62.570 62.100 -0.095 0.000 0.962 86 T CB 0.234 69.035 68.868 -0.112 0.000 1.018 86 T HN 0.368 nan 8.240 nan 0.000 0.521 87 A N 0.131 122.974 122.820 0.038 0.000 2.030 87 A HA 0.314 4.634 4.320 0.001 0.000 0.215 87 A C 1.452 179.022 177.584 -0.024 0.000 1.164 87 A CA 0.621 52.667 52.037 0.017 0.000 0.697 87 A CB -0.461 18.563 19.000 0.040 0.000 0.827 87 A HN 0.430 nan 8.150 nan 0.000 0.457 88 F N -1.325 118.563 119.950 -0.105 0.000 2.656 88 F HA 0.090 4.618 4.527 0.001 0.000 0.291 88 F C 2.102 177.865 175.800 -0.061 0.000 1.122 88 F CA 0.427 58.382 58.000 -0.074 0.000 1.427 88 F CB 0.144 39.058 39.000 -0.144 0.000 1.125 88 F HN 0.006 nan 8.300 nan 0.000 0.583 89 V N 0.129 120.078 119.914 0.058 0.000 2.667 89 V HA -0.207 3.913 4.120 0.001 0.000 0.252 89 V C 1.984 178.114 176.094 0.059 0.000 1.065 89 V CA 1.562 63.860 62.300 -0.004 0.000 1.083 89 V CB -0.463 31.265 31.823 -0.159 0.000 0.692 89 V HN 0.311 nan 8.190 nan 0.000 0.468 90 E N 0.419 120.630 120.200 0.017 0.000 2.021 90 E HA -0.236 4.114 4.350 0.001 0.000 0.200 90 E C -0.141 176.517 176.600 0.097 0.000 1.015 90 E CA 1.808 58.224 56.400 0.027 0.000 0.824 90 E CB -1.563 28.123 29.700 -0.024 0.000 0.762 90 E HN 0.505 nan 8.360 nan 0.000 0.454 91 P HA -0.170 nan 4.420 nan 0.000 0.217 91 P C 0.960 178.346 177.300 0.144 0.000 1.151 91 P CA 1.230 64.399 63.100 0.115 0.000 0.849 91 P CB -0.105 31.682 31.700 0.145 0.000 0.787 92 F N -1.706 118.254 119.950 0.017 0.000 2.661 92 F HA -0.047 4.480 4.527 0.001 0.000 0.298 92 F C 1.938 177.786 175.800 0.080 0.000 1.137 92 F CA 0.726 58.752 58.000 0.043 0.000 1.454 92 F CB -0.700 38.344 39.000 0.073 0.000 1.103 92 F HN -0.233 nan 8.300 nan 0.000 0.577 93 V N -0.643 119.416 119.914 0.241 0.000 3.471 93 V HA -0.062 4.058 4.120 0.001 0.000 0.258 93 V C 1.936 178.093 176.094 0.105 0.000 1.192 93 V CA 0.686 63.114 62.300 0.213 0.000 1.116 93 V CB -0.001 31.990 31.823 0.280 0.000 0.792 93 V HN 0.133 nan 8.190 nan 0.000 0.459 94 I N -0.842 119.763 120.570 0.058 0.000 3.228 94 I HA 0.069 4.239 4.170 0.001 0.000 0.279 94 I C 1.934 178.038 176.117 -0.022 0.000 1.221 94 I CA 1.038 62.343 61.300 0.009 0.000 1.458 94 I CB -0.302 37.690 38.000 -0.013 0.000 1.105 94 I HN 0.287 nan 8.210 nan 0.000 0.445 95 L N -0.031 121.157 121.223 -0.058 0.000 2.253 95 L HA 0.062 4.403 4.340 0.001 0.000 0.205 95 L C 2.213 179.052 176.870 -0.053 0.000 1.078 95 L CA 0.967 55.736 54.840 -0.118 0.000 0.805 95 L CB -0.620 41.266 42.059 -0.288 0.000 0.963 95 L HN 0.063 nan 8.230 nan 0.000 0.459 96 L N -0.925 120.293 121.223 -0.009 0.000 2.131 96 L HA -0.186 4.154 4.340 0.001 0.000 0.210 96 L C 2.247 179.134 176.870 0.028 0.000 1.092 96 L CA 1.357 56.215 54.840 0.031 0.000 0.759 96 L CB -0.387 41.729 42.059 0.095 0.000 0.903 96 L HN 0.196 nan 8.230 nan 0.000 0.435 97 I N -1.230 119.354 120.570 0.023 0.000 2.163 97 I HA -0.235 3.936 4.170 0.001 0.000 0.240 97 I C 2.244 178.387 176.117 0.043 0.000 1.081 97 I CA 1.319 62.629 61.300 0.017 0.000 1.353 97 I CB -0.482 37.522 38.000 0.006 0.000 1.054 97 I HN 0.207 nan 8.210 nan 0.000 0.407 98 L N 0.794 122.061 121.223 0.073 0.000 2.012 98 L HA -0.212 4.129 4.340 0.001 0.000 0.210 98 L C 2.491 179.478 176.870 0.196 0.000 1.073 98 L CA 1.878 56.818 54.840 0.166 0.000 0.748 98 L CB -0.961 41.239 42.059 0.236 0.000 0.891 98 L HN 0.180 nan 8.230 nan 0.000 0.431 99 I N -1.180 119.487 120.570 0.162 0.000 2.179 99 I HA -0.308 3.862 4.170 0.001 0.000 0.242 99 I C 2.561 178.708 176.117 0.050 0.000 1.088 99 I CA 1.130 62.518 61.300 0.146 0.000 1.357 99 I CB -0.506 37.541 38.000 0.078 0.000 1.051 99 I HN 0.234 nan 8.210 nan 0.000 0.409 100 A N 1.034 123.869 122.820 0.026 0.000 1.883 100 A HA -0.258 4.062 4.320 0.001 0.000 0.217 100 A C 2.059 179.627 177.584 -0.026 0.000 1.186 100 A CA 2.239 54.272 52.037 -0.006 0.000 0.624 100 A CB -0.755 18.238 19.000 -0.011 0.000 0.822 100 A HN 0.408 nan 8.150 nan 0.000 0.444 101 N N 0.188 118.877 118.700 -0.018 0.000 2.166 101 N HA -0.069 4.672 4.740 0.001 0.000 0.186 101 N C 1.852 177.309 175.510 -0.087 0.000 1.019 101 N CA 1.482 54.509 53.050 -0.038 0.000 0.856 101 N CB -0.594 37.882 38.487 -0.018 0.000 0.993 101 N HN 0.470 nan 8.380 nan 0.000 0.426 102 A N 1.114 123.856 122.820 -0.130 0.000 1.908 102 A HA -0.120 4.200 4.320 0.001 0.000 0.218 102 A C 2.289 179.800 177.584 -0.123 0.000 1.181 102 A CA 1.028 52.919 52.037 -0.243 0.000 0.627 102 A CB -0.696 18.081 19.000 -0.372 0.000 0.818 102 A HN 0.237 nan 8.150 nan 0.000 0.445 103 I N -0.513 120.025 120.570 -0.053 0.000 2.076 103 I HA -0.240 3.930 4.170 0.001 0.000 0.237 103 I C 2.353 178.490 176.117 0.034 0.000 1.059 103 I CA 1.488 62.792 61.300 0.008 0.000 1.317 103 I CB -0.620 37.381 38.000 0.002 0.000 1.037 103 I HN 0.152 nan 8.210 nan 0.000 0.398 104 V N 1.308 121.199 119.914 -0.038 0.000 2.380 104 V HA -0.270 3.850 4.120 0.001 0.000 0.251 104 V C 2.471 178.585 176.094 0.032 0.000 1.063 104 V CA 2.198 64.467 62.300 -0.052 0.000 1.055 104 V CB -1.602 30.166 31.823 -0.091 0.000 0.657 104 V HN 0.636 nan 8.190 nan 0.000 0.455 105 G N -0.616 108.179 108.800 -0.008 0.000 2.505 105 G HA2 -0.226 3.735 3.960 0.001 0.000 0.214 105 G HA3 -0.226 3.735 3.960 0.001 0.000 0.214 105 G C 1.781 176.688 174.900 0.011 0.000 1.237 105 G CA 1.031 46.117 45.100 -0.023 0.000 0.802 105 G HN 0.355 nan 8.290 nan 0.000 0.549 106 V N 0.322 120.231 119.914 -0.008 0.000 2.392 106 V HA -0.141 3.979 4.120 0.001 0.000 0.249 106 V C 2.177 178.310 176.094 0.066 0.000 1.059 106 V CA 2.359 64.658 62.300 -0.001 0.000 1.051 106 V CB -0.396 31.405 31.823 -0.037 0.000 0.658 106 V HN 0.608 nan 8.190 nan 0.000 0.455 107 W N 0.520 121.780 121.300 -0.066 0.000 2.354 107 W HA -0.245 4.416 4.660 0.001 0.000 0.315 107 W C 2.392 178.883 176.519 -0.047 0.000 1.206 107 W CA 2.311 59.625 57.345 -0.052 0.000 1.290 107 W CB -0.756 28.671 29.460 -0.056 0.000 1.152 107 W HN 0.374 nan 8.180 nan 0.000 0.489 108 Q N 0.886 120.900 119.800 0.356 0.000 2.135 108 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 108 Q C 2.078 178.121 176.000 0.071 0.000 0.981 108 Q CA 2.488 58.423 55.803 0.220 0.000 0.856 108 Q CB -0.562 28.254 28.738 0.131 0.000 0.902 108 Q HN 0.320 nan 8.270 nan 0.000 0.425 109 E N -0.603 119.615 120.200 0.030 0.000 2.047 109 E HA -0.165 4.186 4.350 0.001 0.000 0.191 109 E C 1.833 178.408 176.600 -0.042 0.000 0.987 109 E CA 1.091 57.481 56.400 -0.017 0.000 0.799 109 E CB -0.122 29.562 29.700 -0.027 0.000 0.752 109 E HN 0.097 nan 8.360 nan 0.000 0.449 110 R N 0.646 121.102 120.500 -0.073 0.000 2.096 110 R HA 0.006 4.346 4.340 0.001 0.000 0.235 110 R C 1.849 178.074 176.300 -0.124 0.000 1.127 110 R CA 1.766 57.794 56.100 -0.121 0.000 0.968 110 R CB -0.649 29.529 30.300 -0.202 0.000 0.861 110 R HN 0.355 nan 8.270 nan 0.000 0.440 111 N N -0.641 117.989 118.700 -0.117 0.000 2.058 111 N HA -0.173 4.567 4.740 0.001 0.000 0.191 111 N C 1.617 177.102 175.510 -0.042 0.000 1.037 111 N CA 1.153 54.160 53.050 -0.072 0.000 0.848 111 N CB -0.169 38.320 38.487 0.002 0.000 1.021 111 N HN 0.261 nan 8.380 nan 0.000 0.422 112 A N 1.770 124.572 122.820 -0.031 0.000 1.851 112 A HA -0.206 4.114 4.320 0.001 0.000 0.216 112 A C 1.898 179.461 177.584 -0.034 0.000 1.195 112 A CA 1.526 53.544 52.037 -0.031 0.000 0.622 112 A CB -0.734 18.246 19.000 -0.033 0.000 0.831 112 A HN 0.303 nan 8.150 nan 0.000 0.444 113 E N -0.293 119.884 120.200 -0.038 0.000 2.273 113 E HA -0.202 4.148 4.350 0.001 0.000 0.198 113 E C 1.781 178.361 176.600 -0.034 0.000 1.002 113 E CA 1.252 57.631 56.400 -0.035 0.000 0.828 113 E CB -0.292 29.386 29.700 -0.036 0.000 0.747 113 E HN 0.739 nan 8.360 nan 0.000 0.491 114 N N -0.124 118.550 118.700 -0.043 0.000 2.220 114 N HA -0.031 4.710 4.740 0.001 0.000 0.182 114 N C 1.897 177.390 175.510 -0.029 0.000 1.023 114 N CA 0.587 53.613 53.050 -0.040 0.000 0.856 114 N CB 0.004 38.458 38.487 -0.056 0.000 0.997 114 N HN 0.058 nan 8.380 nan 0.000 0.429 115 A N 1.629 124.432 122.820 -0.029 0.000 1.972 115 A HA -0.103 4.217 4.320 0.001 0.000 0.219 115 A C 2.029 179.599 177.584 -0.023 0.000 1.169 115 A CA 0.880 52.901 52.037 -0.026 0.000 0.635 115 A CB -0.405 18.579 19.000 -0.026 0.000 0.810 115 A HN 0.166 nan 8.150 nan 0.000 0.446 116 I N 0.028 120.585 120.570 -0.022 0.000 2.113 116 I HA -0.165 4.005 4.170 0.001 0.000 0.238 116 I C 2.379 178.492 176.117 -0.006 0.000 1.070 116 I CA 1.454 62.744 61.300 -0.017 0.000 1.332 116 I CB -1.238 36.751 38.000 -0.019 0.000 1.044 116 I HN 0.319 nan 8.210 nan 0.000 0.402 117 E N 0.659 120.855 120.200 -0.007 0.000 2.204 117 E HA -0.124 4.227 4.350 0.001 0.000 0.195 117 E C 2.089 178.697 176.600 0.013 0.000 0.990 117 E CA 1.143 57.544 56.400 0.001 0.000 0.821 117 E CB -0.121 29.576 29.700 -0.006 0.000 0.750 117 E HN 0.466 nan 8.360 nan 0.000 0.477 118 A N 0.014 122.840 122.820 0.009 0.000 2.169 118 A HA -0.025 4.296 4.320 0.001 0.000 0.212 118 A C 2.013 179.624 177.584 0.044 0.000 1.153 118 A CA 0.413 52.465 52.037 0.025 0.000 0.756 118 A CB -0.055 18.948 19.000 0.005 0.000 0.813 118 A HN 0.199 nan 8.150 nan 0.000 0.471 119 L N -0.993 120.246 121.223 0.026 0.000 2.357 119 L HA 0.210 4.551 4.340 0.001 0.000 0.211 119 L C 1.925 178.847 176.870 0.086 0.000 1.075 119 L CA 1.542 56.401 54.840 0.033 0.000 0.830 119 L CB -0.254 41.797 42.059 -0.014 0.000 0.996 119 L HN 0.203 nan 8.230 nan 0.000 0.467 120 K N -0.523 119.909 120.400 0.055 0.000 2.155 120 K HA -0.149 4.171 4.320 0.001 0.000 0.203 120 K C 1.809 178.442 176.600 0.054 0.000 1.052 120 K CA 1.291 57.607 56.287 0.048 0.000 0.948 120 K CB 0.128 32.642 32.500 0.023 0.000 0.728 120 K HN 0.202 nan 8.250 nan 0.000 0.448 121 E N 0.225 120.461 120.200 0.060 0.000 2.230 121 E HA -0.143 4.208 4.350 0.001 0.000 0.192 121 E C 1.619 178.254 176.600 0.059 0.000 0.987 121 E CA 0.392 56.818 56.400 0.042 0.000 0.841 121 E CB -0.128 29.591 29.700 0.032 0.000 0.783 121 E HN 0.239 nan 8.360 nan 0.000 0.481 122 Y N 1.330 121.620 120.300 -0.016 0.000 2.069 122 Y HA -0.224 4.327 4.550 0.001 0.000 0.278 122 Y C 0.595 176.486 175.900 -0.016 0.000 1.175 122 Y CA 1.945 60.036 58.100 -0.015 0.000 1.134 122 Y CB -0.070 38.383 38.460 -0.012 0.000 0.965 122 Y HN -0.041 nan 8.280 nan 0.000 0.498 123 E N 2.471 122.613 120.200 -0.097 0.000 2.055 123 E HA 0.265 4.615 4.350 0.001 0.000 0.274 123 E C -2.598 173.939 176.600 -0.105 0.000 0.949 123 E CA -3.057 53.236 56.400 -0.178 0.000 0.775 123 E CB 0.265 29.945 29.700 -0.034 0.000 1.097 123 E HN 0.172 nan 8.360 nan 0.000 0.404 124 P HA 0.035 nan 4.420 nan 0.000 0.268 124 P C -0.740 176.522 177.300 -0.063 0.000 1.204 124 P CA 0.032 63.079 63.100 -0.088 0.000 0.768 124 P CB 0.712 32.351 31.700 -0.102 0.000 0.842 125 E N 2.417 122.592 120.200 -0.042 0.000 2.338 125 E HA 0.195 4.546 4.350 0.001 0.000 0.272 125 E C 0.338 176.918 176.600 -0.032 0.000 1.029 125 E CA -0.367 56.015 56.400 -0.029 0.000 0.872 125 E CB 0.411 30.102 29.700 -0.016 0.000 1.015 125 E HN 0.366 nan 8.360 nan 0.000 0.417 126 M N 1.115 120.697 119.600 -0.031 0.000 2.513 126 M HA 0.554 5.035 4.480 0.001 0.000 0.291 126 M C 0.396 176.680 176.300 -0.026 0.000 1.190 126 M CA -0.620 54.660 55.300 -0.034 0.000 0.960 126 M CB 1.217 33.792 32.600 -0.041 0.000 1.517 126 M HN 0.629 nan 8.290 nan 0.000 0.499 127 G N 0.458 109.241 108.800 -0.029 0.000 2.690 127 G HA2 0.645 4.605 3.960 0.001 0.000 0.291 127 G HA3 0.645 4.605 3.960 0.001 0.000 0.291 127 G C -1.600 173.279 174.900 -0.036 0.000 1.403 127 G CA -0.738 44.347 45.100 -0.025 0.000 0.864 127 G HN 0.525 nan 8.290 nan 0.000 0.480 128 K N 0.229 120.609 120.400 -0.033 0.000 2.307 128 K HA 0.626 4.946 4.320 0.001 0.000 0.263 128 K C -0.331 176.247 176.600 -0.038 0.000 0.973 128 K CA -0.683 55.573 56.287 -0.051 0.000 0.846 128 K CB 2.184 34.656 32.500 -0.046 0.000 1.100 128 K HN 0.579 nan 8.250 nan 0.000 0.438 129 V N -0.263 119.610 119.914 -0.069 0.000 3.130 129 V HA 0.530 4.650 4.120 0.001 0.000 0.310 129 V C -1.410 174.626 176.094 -0.098 0.000 1.158 129 V CA -1.070 61.217 62.300 -0.022 0.000 1.029 129 V CB 1.268 33.088 31.823 -0.005 0.000 1.057 129 V HN 0.573 nan 8.190 nan 0.000 0.436 130 Y N 2.089 122.376 120.300 -0.023 0.000 2.353 130 Y HA 0.778 5.329 4.550 0.001 0.000 0.340 130 Y C 0.558 176.446 175.900 -0.021 0.000 0.972 130 Y CA -0.385 57.705 58.100 -0.017 0.000 1.157 130 Y CB 1.274 39.726 38.460 -0.014 0.000 1.157 130 Y HN 0.494 nan 8.280 nan 0.000 0.495 131 R N 1.542 122.088 120.500 0.077 0.000 2.740 131 R HA 0.497 4.837 4.340 0.001 0.000 0.282 131 R C 0.643 176.974 176.300 0.051 0.000 0.969 131 R CA -0.530 55.597 56.100 0.044 0.000 0.918 131 R CB 1.718 32.021 30.300 0.005 0.000 1.175 131 R HN 0.779 nan 8.270 nan 0.000 0.464 132 A N 1.738 124.581 122.820 0.039 0.000 2.084 132 A HA -0.218 4.103 4.320 0.001 0.000 0.221 132 A C 1.042 178.643 177.584 0.028 0.000 1.161 132 A CA 1.874 53.933 52.037 0.037 0.000 0.653 132 A CB -0.353 18.660 19.000 0.022 0.000 0.802 132 A HN 0.699 nan 8.150 nan 0.000 0.457 133 D N -0.476 119.934 120.400 0.018 0.000 2.149 133 D HA -0.120 4.521 4.640 0.001 0.000 0.194 133 D C 0.948 177.257 176.300 0.015 0.000 1.001 133 D CA 1.365 55.372 54.000 0.011 0.000 0.849 133 D CB -0.042 40.760 40.800 0.003 0.000 0.939 133 D HN 0.560 nan 8.370 nan 0.000 0.449 134 R N -0.711 119.799 120.500 0.016 0.000 2.673 134 R HA 0.361 4.702 4.340 0.001 0.000 0.281 134 R C 0.627 176.947 176.300 0.033 0.000 0.991 134 R CA -0.652 55.456 56.100 0.014 0.000 0.896 134 R CB 1.940 32.234 30.300 -0.010 0.000 1.201 134 R HN -0.185 nan 8.270 nan 0.000 0.457 135 K N 0.496 120.921 120.400 0.042 0.000 2.097 135 K HA 0.007 4.327 4.320 0.001 0.000 0.206 135 K C 0.329 176.984 176.600 0.092 0.000 1.049 135 K CA 1.116 57.448 56.287 0.075 0.000 0.933 135 K CB 0.111 32.647 32.500 0.059 0.000 0.717 135 K HN 0.319 nan 8.250 nan 0.000 0.442 136 S N 0.814 116.522 115.700 0.013 0.000 2.525 136 S HA 0.151 4.621 4.470 0.001 0.000 0.290 136 S C -0.505 173.930 174.600 -0.276 0.000 1.152 136 S CA -0.735 57.427 58.200 -0.064 0.000 1.072 136 S CB 2.181 65.363 63.200 -0.029 0.000 1.027 136 S HN 0.096 nan 8.310 nan 0.000 0.500 137 V N 4.772 124.294 119.914 -0.653 0.000 2.726 137 V HA -0.030 4.091 4.120 0.001 0.000 0.304 137 V C 0.174 176.060 176.094 -0.345 0.000 1.115 137 V CA 0.848 62.660 62.300 -0.813 0.000 1.264 137 V CB -0.022 31.307 31.823 -0.824 0.000 0.867 137 V HN 0.909 nan 8.190 nan 0.000 0.498 138 Q N 6.851 126.493 119.800 -0.264 0.000 2.297 138 Q HA 0.634 4.975 4.340 0.001 0.000 0.269 138 Q C -0.830 175.097 176.000 -0.121 0.000 1.051 138 Q CA -1.127 54.589 55.803 -0.146 0.000 0.869 138 Q CB 1.861 30.538 28.738 -0.102 0.000 1.346 138 Q HN 0.746 nan 8.270 nan 0.000 0.457 139 R N 1.437 121.881 120.500 -0.094 0.000 2.294 139 R HA 0.485 4.825 4.340 0.001 0.000 0.319 139 R C -0.155 176.104 176.300 -0.068 0.000 0.984 139 R CA -0.525 55.528 56.100 -0.080 0.000 0.861 139 R CB 1.107 31.360 30.300 -0.078 0.000 1.104 139 R HN 0.654 nan 8.270 nan 0.000 0.451 140 I N -1.535 119.003 120.570 -0.054 0.000 3.042 140 I HA 0.462 4.633 4.170 0.001 0.000 0.310 140 I C -0.615 175.481 176.117 -0.034 0.000 1.117 140 I CA -1.383 59.892 61.300 -0.041 0.000 1.003 140 I CB 1.678 39.662 38.000 -0.026 0.000 1.228 140 I HN 0.462 nan 8.210 nan 0.000 0.443 141 K N 2.248 122.631 120.400 -0.029 0.000 2.489 141 K HA 0.233 4.554 4.320 0.001 0.000 0.278 141 K C 1.193 177.788 176.600 -0.009 0.000 1.000 141 K CA 0.465 56.736 56.287 -0.027 0.000 1.012 141 K CB 0.887 33.367 32.500 -0.033 0.000 0.903 141 K HN 0.752 nan 8.250 nan 0.000 0.485 142 A N 4.170 126.983 122.820 -0.012 0.000 1.908 142 A HA -0.220 4.100 4.320 0.001 0.000 0.218 142 A C 1.896 179.494 177.584 0.024 0.000 1.181 142 A CA 1.620 53.658 52.037 0.001 0.000 0.627 142 A CB -0.459 18.539 19.000 -0.004 0.000 0.818 142 A HN 0.891 nan 8.150 nan 0.000 0.445 143 R N -0.654 119.859 120.500 0.023 0.000 2.377 143 R HA -0.032 4.309 4.340 0.001 0.000 0.207 143 R C -0.104 176.312 176.300 0.193 0.000 1.075 143 R CA 1.409 57.546 56.100 0.060 0.000 1.035 143 R CB -0.369 29.918 30.300 -0.023 0.000 0.857 143 R HN 0.258 nan 8.270 nan 0.000 0.475 144 D N 0.612 121.101 120.400 0.148 0.000 2.369 144 D HA 0.181 4.822 4.640 0.001 0.000 0.211 144 D C 0.250 176.605 176.300 0.093 0.000 1.077 144 D CA 0.009 54.120 54.000 0.184 0.000 0.842 144 D CB 0.296 41.166 40.800 0.118 0.000 0.947 144 D HN 0.234 nan 8.370 nan 0.000 0.509 145 I N 1.932 122.540 120.570 0.063 0.000 2.471 145 I HA 0.037 4.207 4.170 0.001 0.000 0.286 145 I C 0.451 176.579 176.117 0.019 0.000 1.079 145 I CA -0.430 60.884 61.300 0.023 0.000 1.398 145 I CB 0.921 38.921 38.000 0.001 0.000 1.403 145 I HN -0.236 nan 8.210 nan 0.000 0.530 146 V N 4.604 124.524 119.914 0.009 0.000 2.815 146 V HA 0.603 4.723 4.120 0.001 0.000 0.314 146 V C -2.672 173.359 176.094 -0.105 0.000 1.064 146 V CA -2.929 59.381 62.300 0.016 0.000 0.952 146 V CB 1.287 33.209 31.823 0.164 0.000 1.020 146 V HN 0.454 nan 8.190 nan 0.000 0.439 147 P HA 0.375 nan 4.420 nan 0.000 0.264 147 P C 0.894 177.782 177.300 -0.687 0.000 1.193 147 P CA 1.720 64.534 63.100 -0.478 0.000 0.763 147 P CB 0.748 32.111 31.700 -0.562 0.000 0.810 148 G N 2.630 110.825 108.800 -1.009 0.000 2.796 148 G HA2 -0.141 3.820 3.960 0.001 0.000 0.198 148 G HA3 -0.141 3.820 3.960 0.001 0.000 0.198 148 G C -0.407 174.269 174.900 -0.374 0.000 1.062 148 G CA -0.167 44.310 45.100 -1.039 0.000 0.752 148 G HN 0.627 nan 8.290 nan 0.000 0.487 149 D N 1.720 121.999 120.400 -0.202 0.000 2.362 149 D HA 0.488 5.129 4.640 0.001 0.000 0.242 149 D C 0.195 176.447 176.300 -0.081 0.000 1.132 149 D CA -0.611 53.333 54.000 -0.093 0.000 0.907 149 D CB 0.938 41.712 40.800 -0.043 0.000 1.195 149 D HN 0.136 nan 8.370 nan 0.000 0.429 150 I N 1.310 121.872 120.570 -0.014 0.000 2.452 150 I HA 0.093 4.263 4.170 0.001 0.000 0.287 150 I C -0.043 176.118 176.117 0.072 0.000 1.079 150 I CA -0.416 60.892 61.300 0.014 0.000 1.387 150 I CB 0.926 38.935 38.000 0.015 0.000 1.404 150 I HN 0.193 nan 8.210 nan 0.000 0.522 151 V N 6.651 126.586 119.914 0.036 0.000 2.581 151 V HA 0.447 4.567 4.120 0.001 0.000 0.303 151 V C -0.026 176.109 176.094 0.068 0.000 1.041 151 V CA -0.851 61.475 62.300 0.044 0.000 0.907 151 V CB 1.920 33.739 31.823 -0.006 0.000 0.994 151 V HN 0.683 nan 8.190 nan 0.000 0.442 152 E N 2.710 122.959 120.200 0.083 0.000 2.199 152 E HA 0.716 5.066 4.350 0.001 0.000 0.269 152 E C -1.526 175.096 176.600 0.035 0.000 0.899 152 E CA -0.525 55.925 56.400 0.085 0.000 0.772 152 E CB 2.137 31.927 29.700 0.150 0.000 1.155 152 E HN 0.628 nan 8.360 nan 0.000 0.408 153 V N 0.261 120.191 119.914 0.027 0.000 2.888 153 V HA 0.975 5.096 4.120 0.001 0.000 0.309 153 V C -0.927 175.179 176.094 0.019 0.000 1.114 153 V CA -0.587 61.721 62.300 0.013 0.000 0.940 153 V CB 1.166 32.989 31.823 -0.000 0.000 1.021 153 V HN 0.773 nan 8.190 nan 0.000 0.426 154 A N 2.829 125.661 122.820 0.019 0.000 2.483 154 A HA 0.939 5.259 4.320 0.001 0.000 0.286 154 A C -0.137 177.464 177.584 0.028 0.000 1.207 154 A CA -0.688 51.366 52.037 0.028 0.000 0.764 154 A CB 1.585 20.605 19.000 0.033 0.000 1.341 154 A HN 1.861 nan 8.150 nan 0.000 0.428 155 V N 0.481 120.420 119.914 0.041 0.000 2.902 155 V HA 0.269 4.389 4.120 0.001 0.000 0.297 155 V C 1.832 177.948 176.094 0.037 0.000 1.230 155 V CA 1.875 64.201 62.300 0.044 0.000 1.344 155 V CB -0.478 31.386 31.823 0.069 0.000 0.889 155 V HN 2.420 nan 8.190 nan 0.000 0.515 156 G N 2.718 111.537 108.800 0.032 0.000 2.363 156 G HA2 -0.242 3.719 3.960 0.001 0.000 0.238 156 G HA3 -0.242 3.719 3.960 0.001 0.000 0.238 156 G C 0.096 175.007 174.900 0.019 0.000 1.062 156 G CA 0.277 45.393 45.100 0.027 0.000 0.629 156 G HN 0.733 nan 8.290 nan 0.000 0.514 157 D N 1.061 121.471 120.400 0.016 0.000 2.378 157 D HA 0.404 5.045 4.640 0.001 0.000 0.238 157 D C 0.605 176.911 176.300 0.010 0.000 1.180 157 D CA 0.399 54.405 54.000 0.010 0.000 0.895 157 D CB 0.853 41.657 40.800 0.006 0.000 1.192 157 D HN 0.552 nan 8.370 nan 0.000 0.438 158 K N 0.947 121.351 120.400 0.007 0.000 2.235 158 K HA 0.291 4.611 4.320 0.001 0.000 0.266 158 K C -0.956 175.648 176.600 0.006 0.000 0.980 158 K CA -0.724 55.569 56.287 0.010 0.000 0.849 158 K CB 1.005 33.511 32.500 0.010 0.000 1.098 158 K HN 0.086 nan 8.250 nan 0.000 0.445 159 V N 7.422 127.341 119.914 0.008 0.000 2.493 159 V HA 0.015 4.136 4.120 0.001 0.000 0.292 159 V C -1.268 174.829 176.094 0.004 0.000 1.016 159 V CA -0.930 61.370 62.300 -0.001 0.000 1.097 159 V CB 0.847 32.666 31.823 -0.006 0.000 0.947 159 V HN 0.863 nan 8.190 nan 0.000 0.479 160 P HA 0.143 nan 4.420 nan 0.000 0.224 160 P C 0.184 177.485 177.300 0.002 0.000 1.157 160 P CA 0.978 64.078 63.100 -0.001 0.000 0.799 160 P CB 0.642 32.337 31.700 -0.007 0.000 0.809 161 A N -0.782 122.034 122.820 -0.007 0.000 2.605 161 A HA 0.330 4.651 4.320 0.001 0.000 0.294 161 A C -1.333 176.238 177.584 -0.021 0.000 1.062 161 A CA -0.674 51.360 52.037 -0.006 0.000 0.682 161 A CB 0.226 19.214 19.000 -0.019 0.000 1.278 161 A HN -0.184 nan 8.150 nan 0.000 0.410 162 D N 1.040 121.439 120.400 -0.002 0.000 2.570 162 D HA 0.176 4.817 4.640 0.001 0.000 0.243 162 D C -0.420 175.832 176.300 -0.081 0.000 1.171 162 D CA 1.606 55.591 54.000 -0.025 0.000 0.879 162 D CB 0.205 41.029 40.800 0.040 0.000 1.143 162 D HN 0.392 nan 8.370 nan 0.000 0.511 163 I N 2.497 122.984 120.570 -0.138 0.000 2.608 163 I HA 0.181 4.352 4.170 0.001 0.000 0.295 163 I C 0.339 176.372 176.117 -0.139 0.000 1.049 163 I CA -0.935 60.289 61.300 -0.126 0.000 1.063 163 I CB 2.212 40.147 38.000 -0.108 0.000 1.248 163 I HN -0.056 nan 8.210 nan 0.000 0.424 164 R N 6.350 126.795 120.500 -0.092 0.000 2.202 164 R HA 0.462 4.803 4.340 0.001 0.000 0.334 164 R C -0.760 175.506 176.300 -0.057 0.000 1.036 164 R CA -0.748 55.314 56.100 -0.064 0.000 0.878 164 R CB 0.418 30.703 30.300 -0.025 0.000 1.067 164 R HN 0.546 nan 8.270 nan 0.000 0.457 165 I N 6.690 127.225 120.570 -0.058 0.000 2.581 165 I HA -0.126 4.044 4.170 0.001 0.000 0.285 165 I C 1.518 177.623 176.117 -0.020 0.000 1.129 165 I CA 0.218 61.492 61.300 -0.043 0.000 1.397 165 I CB 0.597 38.572 38.000 -0.043 0.000 1.399 165 I HN 0.489 nan 8.210 nan 0.000 0.537 166 L N 4.196 125.406 121.223 -0.021 0.000 2.168 166 L HA 0.122 4.463 4.340 0.001 0.000 0.203 166 L C 0.971 177.836 176.870 -0.010 0.000 1.078 166 L CA 0.754 55.586 54.840 -0.014 0.000 0.780 166 L CB -0.114 41.931 42.059 -0.024 0.000 0.939 166 L HN 0.589 nan 8.230 nan 0.000 0.451 167 S N -0.770 114.922 115.700 -0.013 0.000 2.533 167 S HA 0.549 5.020 4.470 0.001 0.000 0.271 167 S C -1.054 173.547 174.600 0.001 0.000 1.143 167 S CA -0.593 57.605 58.200 -0.004 0.000 0.891 167 S CB 1.457 64.648 63.200 -0.013 0.000 1.105 167 S HN 0.072 nan 8.310 nan 0.000 0.468 168 I N 4.645 125.223 120.570 0.012 0.000 2.371 168 I HA 0.343 4.513 4.170 0.001 0.000 0.282 168 I C 0.457 176.595 176.117 0.035 0.000 1.031 168 I CA -0.570 60.739 61.300 0.016 0.000 1.180 168 I CB 1.531 39.534 38.000 0.005 0.000 1.336 168 I HN 0.571 nan 8.210 nan 0.000 0.467 169 K N 2.610 123.035 120.400 0.042 0.000 2.283 169 K HA -0.028 4.292 4.320 0.001 0.000 0.202 169 K C 0.920 177.571 176.600 0.084 0.000 1.048 169 K CA 0.523 56.846 56.287 0.061 0.000 0.948 169 K CB 0.045 32.580 32.500 0.059 0.000 0.742 169 K HN 0.702 nan 8.250 nan 0.000 0.458 170 S N -1.258 114.491 115.700 0.081 0.000 2.707 170 S HA 0.108 4.578 4.470 0.001 0.000 0.276 170 S C 1.214 175.879 174.600 0.109 0.000 1.179 170 S CA -0.230 58.036 58.200 0.110 0.000 0.992 170 S CB 1.231 64.496 63.200 0.108 0.000 1.030 170 S HN 0.286 nan 8.310 nan 0.000 0.554 171 T N -2.143 112.505 114.554 0.155 0.000 3.163 171 T HA 0.233 4.584 4.350 0.001 0.000 0.260 171 T C 0.323 175.083 174.700 0.101 0.000 1.156 171 T CA 0.505 62.698 62.100 0.155 0.000 1.072 171 T CB -0.752 68.298 68.868 0.302 0.000 0.937 171 T HN 0.716 nan 8.240 nan 0.000 0.528 172 T N 0.780 115.373 114.554 0.066 0.000 2.886 172 T HA 0.568 4.918 4.350 0.001 0.000 0.330 172 T C -2.115 172.577 174.700 -0.013 0.000 1.488 172 T CA -0.845 61.256 62.100 0.002 0.000 1.054 172 T CB 1.958 70.828 68.868 0.002 0.000 1.348 172 T HN 0.182 nan 8.240 nan 0.000 0.489 173 L N 2.448 123.633 121.223 -0.062 0.000 2.441 173 L HA 0.709 5.049 4.340 0.001 0.000 0.270 173 L C -1.041 175.793 176.870 -0.061 0.000 0.973 173 L CA -0.397 54.413 54.840 -0.050 0.000 0.842 173 L CB 1.170 43.192 42.059 -0.062 0.000 1.239 173 L HN 0.514 nan 8.230 nan 0.000 0.406 174 R N 3.787 124.268 120.500 -0.032 0.000 2.832 174 R HA 0.895 5.235 4.340 0.001 0.000 0.271 174 R C -1.446 174.847 176.300 -0.011 0.000 0.996 174 R CA -0.953 55.132 56.100 -0.025 0.000 0.977 174 R CB 2.264 32.554 30.300 -0.017 0.000 1.168 174 R HN 0.413 nan 8.270 nan 0.000 0.482 175 V N 0.614 120.528 119.914 -0.001 0.000 2.851 175 V HA 0.099 4.220 4.120 0.001 0.000 0.307 175 V C -1.069 175.040 176.094 0.025 0.000 1.129 175 V CA -0.918 61.390 62.300 0.013 0.000 0.932 175 V CB 2.484 34.318 31.823 0.019 0.000 1.024 175 V HN 0.680 nan 8.190 nan 0.000 0.426 176 D N 2.604 123.021 120.400 0.027 0.000 2.468 176 D HA 0.287 4.927 4.640 0.001 0.000 0.218 176 D C 0.694 177.019 176.300 0.041 0.000 1.155 176 D CA 0.120 54.136 54.000 0.026 0.000 0.924 176 D CB 1.122 41.933 40.800 0.018 0.000 1.029 176 D HN 0.551 nan 8.370 nan 0.000 0.515 177 Q N 1.171 121.000 119.800 0.049 0.000 2.360 177 Q HA -0.018 4.323 4.340 0.001 0.000 0.202 177 Q C 1.944 177.954 176.000 0.017 0.000 0.915 177 Q CA 0.081 55.921 55.803 0.061 0.000 0.943 177 Q CB 0.357 29.150 28.738 0.092 0.000 1.064 177 Q HN 0.596 nan 8.270 nan 0.000 0.511 178 S N 1.077 116.782 115.700 0.009 0.000 2.399 178 S HA -0.291 4.179 4.470 0.001 0.000 0.235 178 S C 1.761 176.353 174.600 -0.013 0.000 1.063 178 S CA 1.354 59.551 58.200 -0.005 0.000 1.070 178 S CB -0.512 62.686 63.200 -0.003 0.000 0.904 178 S HN 0.538 nan 8.310 nan 0.000 0.456 179 I N -0.303 120.263 120.570 -0.006 0.000 2.567 179 I HA -0.088 4.082 4.170 0.001 0.000 0.257 179 I C 1.997 178.096 176.117 -0.030 0.000 1.184 179 I CA 1.128 62.421 61.300 -0.012 0.000 1.451 179 I CB -0.019 37.981 38.000 0.001 0.000 1.089 179 I HN 0.360 nan 8.210 nan 0.000 0.441 180 L N -0.600 120.596 121.223 -0.047 0.000 2.864 180 L HA 0.026 4.367 4.340 0.001 0.000 0.177 180 L C 2.488 179.289 176.870 -0.115 0.000 1.341 180 L CA 1.664 56.444 54.840 -0.100 0.000 0.892 180 L CB -0.746 41.214 42.059 -0.164 0.000 1.290 180 L HN 0.268 nan 8.230 nan 0.000 0.545 181 T N -2.244 112.228 114.554 -0.136 0.000 2.929 181 T HA 0.071 4.422 4.350 0.001 0.000 0.271 181 T C 1.501 176.160 174.700 -0.068 0.000 1.085 181 T CA 1.209 63.238 62.100 -0.119 0.000 1.125 181 T CB -0.614 68.190 68.868 -0.106 0.000 0.874 181 T HN 0.945 nan 8.240 nan 0.000 0.494 182 G N 1.724 110.495 108.800 -0.049 0.000 2.217 182 G HA2 -0.257 3.704 3.960 0.001 0.000 0.246 182 G HA3 -0.257 3.704 3.960 0.001 0.000 0.246 182 G C -0.111 174.775 174.900 -0.023 0.000 0.990 182 G CA 0.097 45.177 45.100 -0.033 0.000 0.627 182 G HN 0.980 nan 8.290 nan 0.000 0.522 183 E N 1.136 121.324 120.200 -0.019 0.000 2.344 183 E HA 0.595 4.945 4.350 0.001 0.000 0.270 183 E C 0.933 177.530 176.600 -0.006 0.000 1.021 183 E CA 0.266 56.660 56.400 -0.010 0.000 0.887 183 E CB 1.456 31.153 29.700 -0.004 0.000 0.997 183 E HN 0.097 nan 8.360 nan 0.000 0.429 184 S N 2.218 117.913 115.700 -0.007 0.000 2.325 184 S HA -0.038 4.433 4.470 0.001 0.000 0.214 184 S C 0.893 175.490 174.600 -0.005 0.000 1.031 184 S CA 0.246 58.442 58.200 -0.007 0.000 0.972 184 S CB 0.096 63.290 63.200 -0.010 0.000 0.908 184 S HN 0.451 nan 8.310 nan 0.000 0.453 185 V N 3.882 123.793 119.914 -0.006 0.000 2.673 185 V HA 0.099 4.219 4.120 0.001 0.000 0.303 185 V C 0.578 176.671 176.094 -0.001 0.000 1.046 185 V CA -0.586 61.711 62.300 -0.006 0.000 1.126 185 V CB 0.494 32.312 31.823 -0.008 0.000 0.934 185 V HN 0.584 nan 8.190 nan 0.000 0.487 186 S N 4.437 120.136 115.700 -0.002 0.000 2.552 186 S HA 0.307 4.777 4.470 0.001 0.000 0.289 186 S C -0.233 174.368 174.600 0.002 0.000 1.304 186 S CA -0.581 57.620 58.200 0.002 0.000 1.063 186 S CB 0.823 64.021 63.200 -0.003 0.000 0.848 186 S HN 1.177 nan 8.310 nan 0.000 0.499 187 V N 1.495 121.415 119.914 0.010 0.000 2.612 187 V HA 0.604 4.725 4.120 0.001 0.000 0.301 187 V C 0.138 176.227 176.094 -0.008 0.000 1.046 187 V CA -1.299 61.008 62.300 0.011 0.000 0.946 187 V CB 0.607 32.449 31.823 0.032 0.000 1.003 187 V HN 0.893 nan 8.190 nan 0.000 0.459 188 I N 3.249 123.808 120.570 -0.017 0.000 2.581 188 I HA 0.426 4.596 4.170 0.001 0.000 0.288 188 I C 0.263 176.317 176.117 -0.105 0.000 1.047 188 I CA -0.267 60.988 61.300 -0.075 0.000 1.374 188 I CB 0.991 38.948 38.000 -0.071 0.000 1.423 188 I HN 0.604 nan 8.210 nan 0.000 0.549 189 K N 4.916 125.189 120.400 -0.211 0.000 2.328 189 K HA 0.597 4.917 4.320 0.001 0.000 0.246 189 K C -0.734 175.623 176.600 -0.406 0.000 0.955 189 K CA -0.777 55.396 56.287 -0.190 0.000 0.817 189 K CB 1.953 34.387 32.500 -0.111 0.000 1.208 189 K HN 0.500 nan 8.250 nan 0.000 0.432 190 H N -0.687 118.381 119.070 -0.003 0.000 2.941 190 H HA 0.270 4.826 4.556 0.001 0.000 0.344 190 H C 0.493 175.818 175.328 -0.005 0.000 1.235 190 H CA -0.336 55.711 56.048 -0.001 0.000 1.149 190 H CB 1.888 31.653 29.762 0.004 0.000 1.885 190 H HN 0.616 nan 8.280 nan 0.000 0.558 191 T N -2.472 112.169 114.554 0.145 0.000 3.037 191 T HA -0.015 4.335 4.350 0.001 0.000 0.251 191 T C 0.615 175.347 174.700 0.055 0.000 1.079 191 T CA -0.314 61.826 62.100 0.068 0.000 1.067 191 T CB 0.303 69.198 68.868 0.046 0.000 0.948 191 T HN 0.555 nan 8.240 nan 0.000 0.496 192 E N 3.615 123.850 120.200 0.059 0.000 2.392 192 E HA 0.212 4.562 4.350 0.001 0.000 0.264 192 E C -2.630 173.992 176.600 0.035 0.000 1.024 192 E CA -2.101 54.316 56.400 0.028 0.000 0.903 192 E CB 0.140 29.840 29.700 -0.001 0.000 0.963 192 E HN 0.209 nan 8.360 nan 0.000 0.432 193 P HA 0.059 nan 4.420 nan 0.000 0.277 193 P C -0.434 176.886 177.300 0.034 0.000 1.240 193 P CA -0.555 62.560 63.100 0.027 0.000 0.798 193 P CB 1.171 32.870 31.700 -0.002 0.000 0.979 194 V N 4.186 124.140 119.914 0.066 0.000 2.318 194 V HA 0.197 4.317 4.120 0.001 0.000 0.271 194 V C -1.634 174.484 176.094 0.040 0.000 1.030 194 V CA -2.379 59.971 62.300 0.083 0.000 0.844 194 V CB 0.822 32.740 31.823 0.158 0.000 1.015 194 V HN 0.373 nan 8.190 nan 0.000 0.460 195 P HA -0.159 nan 4.420 nan 0.000 0.216 195 P C 0.485 177.777 177.300 -0.014 0.000 1.157 195 P CA 1.043 64.134 63.100 -0.016 0.000 0.880 195 P CB 0.014 31.712 31.700 -0.004 0.000 0.791 196 D N 0.112 120.529 120.400 0.030 0.000 2.402 196 D HA -0.052 4.589 4.640 0.001 0.000 0.268 196 D C -1.386 174.968 176.300 0.089 0.000 1.294 196 D CA -0.960 53.070 54.000 0.051 0.000 0.945 196 D CB 0.535 41.374 40.800 0.066 0.000 1.112 196 D HN 0.198 nan 8.370 nan 0.000 0.517 197 P HA 0.045 nan 4.420 nan 0.000 0.249 197 P C 0.583 177.980 177.300 0.163 0.000 1.229 197 P CA 0.269 63.398 63.100 0.048 0.000 0.788 197 P CB 0.397 32.081 31.700 -0.028 0.000 1.072 198 R N -0.751 119.829 120.500 0.134 0.000 2.344 198 R HA 0.345 4.686 4.340 0.001 0.000 0.209 198 R C 1.033 177.386 176.300 0.087 0.000 0.886 198 R CA -0.144 56.014 56.100 0.096 0.000 1.040 198 R CB 0.010 30.342 30.300 0.053 0.000 1.114 198 R HN 0.028 nan 8.270 nan 0.000 0.547 199 A N 1.697 124.587 122.820 0.117 0.000 2.632 199 A HA 0.085 4.406 4.320 0.001 0.000 0.229 199 A C 0.672 178.261 177.584 0.008 0.000 1.047 199 A CA 0.127 52.207 52.037 0.071 0.000 0.754 199 A CB 0.178 19.244 19.000 0.111 0.000 0.969 199 A HN 0.015 nan 8.150 nan 0.000 0.509 200 V N 2.839 122.747 119.914 -0.010 0.000 3.083 200 V HA 0.029 4.150 4.120 0.001 0.000 0.306 200 V C 1.586 177.640 176.094 -0.066 0.000 1.077 200 V CA 0.225 62.497 62.300 -0.046 0.000 1.073 200 V CB 0.554 32.353 31.823 -0.040 0.000 1.081 200 V HN 1.053 nan 8.190 nan 0.000 0.474 201 N N 0.715 119.341 118.700 -0.122 0.000 2.091 201 N HA -0.247 4.493 4.740 0.001 0.000 0.193 201 N C 1.514 177.017 175.510 -0.012 0.000 1.021 201 N CA 1.557 54.510 53.050 -0.162 0.000 0.862 201 N CB -0.128 38.078 38.487 -0.469 0.000 1.018 201 N HN 0.727 nan 8.380 nan 0.000 0.429 202 Q N 0.047 119.827 119.800 -0.032 0.000 2.508 202 Q HA -0.073 4.267 4.340 0.001 0.000 0.214 202 Q C 0.228 176.256 176.000 0.047 0.000 0.979 202 Q CA 0.703 56.516 55.803 0.016 0.000 0.911 202 Q CB 0.187 28.921 28.738 -0.007 0.000 0.969 202 Q HN 0.444 nan 8.270 nan 0.000 0.504 203 D N 0.353 120.781 120.400 0.047 0.000 2.433 203 D HA 0.066 4.707 4.640 0.001 0.000 0.211 203 D C -0.155 176.193 176.300 0.081 0.000 1.114 203 D CA 0.142 54.177 54.000 0.058 0.000 0.837 203 D CB 0.482 41.310 40.800 0.047 0.000 0.984 203 D HN 0.109 nan 8.370 nan 0.000 0.505 204 K N 1.440 121.898 120.400 0.097 0.000 2.758 204 K HA 0.173 4.493 4.320 0.001 0.000 0.250 204 K C 0.742 177.396 176.600 0.090 0.000 1.268 204 K CA -0.057 56.288 56.287 0.096 0.000 1.228 204 K CB 0.431 33.000 32.500 0.115 0.000 1.715 204 K HN -0.155 nan 8.250 nan 0.000 0.334 205 K N 1.549 122.004 120.400 0.091 0.000 2.668 205 K HA -0.060 4.260 4.320 0.001 0.000 0.204 205 K C 0.685 177.322 176.600 0.061 0.000 1.016 205 K CA 0.424 56.763 56.287 0.086 0.000 1.131 205 K CB -0.056 32.525 32.500 0.134 0.000 0.891 205 K HN 0.418 nan 8.250 nan 0.000 0.499 206 N N -0.856 117.858 118.700 0.023 0.000 2.082 206 N HA 0.030 4.770 4.740 0.001 0.000 0.228 206 N C -0.170 175.295 175.510 -0.076 0.000 1.341 206 N CA -0.155 52.896 53.050 0.001 0.000 0.873 206 N CB 0.475 38.990 38.487 0.046 0.000 1.137 206 N HN -0.115 nan 8.380 nan 0.000 0.505 207 M N 0.913 120.405 119.600 -0.180 0.000 2.644 207 M HA 0.518 4.998 4.480 0.001 0.000 0.316 207 M C -0.823 175.111 176.300 -0.610 0.000 1.200 207 M CA -0.595 54.478 55.300 -0.379 0.000 0.944 207 M CB 2.049 34.367 32.600 -0.469 0.000 1.691 207 M HN -0.065 nan 8.290 nan 0.000 0.471 208 L N 2.174 123.024 121.223 -0.622 0.000 2.406 208 L HA 0.472 4.812 4.340 0.001 0.000 0.270 208 L C -1.330 175.239 176.870 -0.502 0.000 0.982 208 L CA -0.430 54.098 54.840 -0.521 0.000 0.843 208 L CB 1.321 43.241 42.059 -0.231 0.000 1.225 208 L HN 0.466 nan 8.230 nan 0.000 0.412 209 F N 0.921 120.859 119.950 -0.020 0.000 2.427 209 F HA 0.247 4.774 4.527 0.001 0.000 0.352 209 F C 1.292 177.082 175.800 -0.017 0.000 1.100 209 F CA -0.143 57.844 58.000 -0.021 0.000 1.191 209 F CB 1.200 40.185 39.000 -0.025 0.000 1.128 209 F HN 0.380 nan 8.300 nan 0.000 0.533 210 S N 1.933 117.720 115.700 0.143 0.000 2.554 210 S HA 0.304 4.774 4.470 0.001 0.000 0.290 210 S C 1.296 175.948 174.600 0.085 0.000 1.309 210 S CA 0.851 59.098 58.200 0.079 0.000 1.047 210 S CB -0.018 63.219 63.200 0.061 0.000 0.828 210 S HN 1.277 nan 8.310 nan 0.000 0.509 211 G N 2.557 111.389 108.800 0.053 0.000 2.212 211 G HA2 -0.288 3.672 3.960 0.001 0.000 0.266 211 G HA3 -0.288 3.672 3.960 0.001 0.000 0.266 211 G C 0.330 175.259 174.900 0.049 0.000 0.978 211 G CA 0.911 46.037 45.100 0.044 0.000 0.632 211 G HN 1.356 nan 8.290 nan 0.000 0.537 212 T N -1.259 113.338 114.554 0.072 0.000 2.824 212 T HA 0.649 4.999 4.350 0.001 0.000 0.277 212 T C -0.153 174.573 174.700 0.043 0.000 0.975 212 T CA -0.301 61.841 62.100 0.070 0.000 0.966 212 T CB 1.738 70.680 68.868 0.122 0.000 1.054 212 T HN 0.199 nan 8.240 nan 0.000 0.533 213 N N -0.083 118.638 118.700 0.035 0.000 2.238 213 N HA 0.455 5.195 4.740 0.001 0.000 0.302 213 N C -1.247 174.274 175.510 0.018 0.000 1.072 213 N CA -0.773 52.290 53.050 0.022 0.000 0.792 213 N CB 1.308 39.807 38.487 0.019 0.000 1.425 213 N HN 0.499 nan 8.380 nan 0.000 0.478 214 I N 1.674 122.252 120.570 0.012 0.000 2.505 214 I HA 0.084 4.255 4.170 0.001 0.000 0.287 214 I C 1.497 177.622 176.117 0.015 0.000 1.104 214 I CA 0.149 61.455 61.300 0.010 0.000 1.387 214 I CB 0.446 38.451 38.000 0.009 0.000 1.404 214 I HN 0.722 nan 8.210 nan 0.000 0.528 215 A N 5.321 128.147 122.820 0.011 0.000 2.021 215 A HA 0.645 4.965 4.320 0.001 0.000 0.216 215 A C 0.981 178.575 177.584 0.016 0.000 1.163 215 A CA 1.122 53.166 52.037 0.012 0.000 0.676 215 A CB -0.030 18.973 19.000 0.005 0.000 0.818 215 A HN 0.781 nan 8.150 nan 0.000 0.453 216 A N -2.919 119.910 122.820 0.015 0.000 2.605 216 A HA 0.637 4.957 4.320 0.001 0.000 0.294 216 A C 0.320 177.920 177.584 0.028 0.000 1.062 216 A CA 0.152 52.204 52.037 0.025 0.000 0.682 216 A CB -0.060 18.948 19.000 0.013 0.000 1.278 216 A HN 2.141 nan 8.150 nan 0.000 0.410 217 G N 0.281 109.111 108.800 0.050 0.000 2.728 217 G HA2 0.236 4.197 3.960 0.001 0.000 0.294 217 G HA3 0.236 4.197 3.960 0.001 0.000 0.294 217 G C -0.468 174.461 174.900 0.049 0.000 1.342 217 G CA 0.099 45.232 45.100 0.055 0.000 0.866 217 G HN 1.283 nan 8.290 nan 0.000 0.534 218 K N -0.555 119.874 120.400 0.048 0.000 2.469 218 K HA 0.794 5.115 4.320 0.001 0.000 0.254 218 K C -0.550 176.069 176.600 0.032 0.000 0.939 218 K CA -0.238 56.074 56.287 0.043 0.000 0.812 218 K CB 1.884 34.418 32.500 0.057 0.000 1.301 218 K HN 2.082 nan 8.250 nan 0.000 0.433 219 A N 3.331 126.166 122.820 0.025 0.000 2.566 219 A HA 0.506 4.826 4.320 0.001 0.000 0.297 219 A C -1.904 175.688 177.584 0.013 0.000 1.059 219 A CA -0.746 51.298 52.037 0.012 0.000 0.691 219 A CB 1.060 20.055 19.000 -0.007 0.000 1.282 219 A HN 0.605 nan 8.150 nan 0.000 0.401 220 L N 1.566 122.791 121.223 0.003 0.000 2.295 220 L HA 0.742 5.083 4.340 0.001 0.000 0.285 220 L C 0.714 177.571 176.870 -0.022 0.000 1.035 220 L CA -0.111 54.726 54.840 -0.005 0.000 0.806 220 L CB 2.003 44.036 42.059 -0.042 0.000 1.214 220 L HN 0.963 nan 8.230 nan 0.000 0.426 221 G N 3.102 111.888 108.800 -0.023 0.000 2.672 221 G HA2 0.594 4.554 3.960 0.001 0.000 0.292 221 G HA3 0.594 4.554 3.960 0.001 0.000 0.292 221 G C -1.873 172.996 174.900 -0.051 0.000 1.375 221 G CA -0.508 44.568 45.100 -0.040 0.000 0.890 221 G HN 0.499 nan 8.290 nan 0.000 0.476 222 I N 1.217 121.748 120.570 -0.064 0.000 2.377 222 I HA 0.448 4.618 4.170 0.001 0.000 0.293 222 I C 0.007 176.036 176.117 -0.147 0.000 0.987 222 I CA -0.891 60.346 61.300 -0.106 0.000 1.185 222 I CB 1.599 39.549 38.000 -0.084 0.000 1.341 222 I HN 0.236 nan 8.210 nan 0.000 0.455 223 V N 8.400 128.188 119.914 -0.210 0.000 2.599 223 V HA 0.088 4.209 4.120 0.001 0.000 0.300 223 V C 1.044 176.988 176.094 -0.251 0.000 1.034 223 V CA 0.713 62.886 62.300 -0.211 0.000 1.115 223 V CB 0.501 32.194 31.823 -0.217 0.000 0.934 223 V HN 0.985 nan 8.190 nan 0.000 0.485 224 A N 4.484 127.230 122.820 -0.123 0.000 1.881 224 A HA 0.307 4.627 4.320 0.001 0.000 0.210 224 A C 1.091 178.650 177.584 -0.041 0.000 1.239 224 A CA 1.065 53.081 52.037 -0.035 0.000 0.629 224 A CB 0.047 19.046 19.000 -0.002 0.000 0.906 224 A HN 0.854 nan 8.150 nan 0.000 0.460 225 T N -2.649 111.877 114.554 -0.047 0.000 2.906 225 T HA 0.618 4.968 4.350 0.001 0.000 0.295 225 T C -0.269 174.407 174.700 -0.040 0.000 1.075 225 T CA 0.082 62.157 62.100 -0.042 0.000 1.005 225 T CB 1.655 70.530 68.868 0.011 0.000 1.136 225 T HN 0.715 nan 8.240 nan 0.000 0.498 226 T N -2.327 112.211 114.554 -0.026 0.000 2.626 226 T HA 0.787 5.137 4.350 0.001 0.000 0.279 226 T C 1.192 175.911 174.700 0.032 0.000 0.983 226 T CA 0.021 62.121 62.100 0.000 0.000 1.059 226 T CB 0.890 69.755 68.868 -0.005 0.000 1.396 226 T HN 1.832 nan 8.240 nan 0.000 0.519 227 G N 0.261 109.088 108.800 0.044 0.000 2.698 227 G HA2 -0.323 3.637 3.960 0.001 0.000 0.337 227 G HA3 -0.323 3.637 3.960 0.001 0.000 0.337 227 G C 1.061 175.989 174.900 0.046 0.000 1.286 227 G CA 1.350 46.482 45.100 0.054 0.000 1.000 227 G HN 1.548 nan 8.290 nan 0.000 0.547 228 V N 0.823 120.766 119.914 0.049 0.000 3.217 228 V HA 0.062 4.182 4.120 0.001 0.000 0.264 228 V C 2.495 178.612 176.094 0.040 0.000 1.135 228 V CA 2.272 64.597 62.300 0.041 0.000 1.142 228 V CB 0.477 32.324 31.823 0.040 0.000 0.754 228 V HN 0.552 nan 8.190 nan 0.000 0.484 229 S N 0.034 115.762 115.700 0.046 0.000 2.593 229 S HA 0.018 4.488 4.470 0.001 0.000 0.217 229 S C 1.107 175.733 174.600 0.043 0.000 0.966 229 S CA 0.387 58.615 58.200 0.045 0.000 0.914 229 S CB -0.271 62.961 63.200 0.054 0.000 0.776 229 S HN 0.804 nan 8.310 nan 0.000 0.523 230 T N 0.590 115.169 114.554 0.043 0.000 2.884 230 T HA 0.266 4.616 4.350 0.001 0.000 0.298 230 T C 0.465 175.191 174.700 0.043 0.000 0.998 230 T CA -0.507 61.625 62.100 0.054 0.000 1.124 230 T CB 0.868 69.769 68.868 0.054 0.000 0.931 230 T HN 0.163 nan 8.240 nan 0.000 0.531 231 E N 1.179 121.411 120.200 0.053 0.000 2.482 231 E HA 0.004 4.355 4.350 0.001 0.000 0.200 231 E C 0.491 177.071 176.600 -0.033 0.000 1.147 231 E CA 0.233 56.628 56.400 -0.009 0.000 0.912 231 E CB -0.375 29.286 29.700 -0.065 0.000 0.938 231 E HN 0.674 nan 8.360 nan 0.000 0.519 232 I N -1.842 118.731 120.570 0.005 0.000 3.812 232 I HA 0.078 4.248 4.170 0.001 0.000 0.292 232 I C 2.235 178.354 176.117 0.004 0.000 1.206 232 I CA 0.414 61.715 61.300 0.001 0.000 1.370 232 I CB -0.048 37.968 38.000 0.027 0.000 1.328 232 I HN 0.007 nan 8.210 nan 0.000 0.453 233 G N 1.612 110.421 108.800 0.015 0.000 2.623 233 G HA2 -0.121 3.839 3.960 0.001 0.000 0.214 233 G HA3 -0.121 3.839 3.960 0.001 0.000 0.214 233 G C 1.507 176.414 174.900 0.011 0.000 1.138 233 G CA 0.435 45.544 45.100 0.015 0.000 0.794 233 G HN 0.490 nan 8.290 nan 0.000 0.535 234 K N 0.580 120.985 120.400 0.007 0.000 2.432 234 K HA 0.164 4.485 4.320 0.001 0.000 0.196 234 K C 1.522 178.120 176.600 -0.004 0.000 1.038 234 K CA 0.658 56.948 56.287 0.004 0.000 0.986 234 K CB -0.196 32.306 32.500 0.004 0.000 0.782 234 K HN 0.484 nan 8.250 nan 0.000 0.485 235 I N -2.117 118.446 120.570 -0.010 0.000 3.569 235 I HA 0.382 4.553 4.170 0.001 0.000 0.334 235 I C 1.201 177.311 176.117 -0.011 0.000 1.570 235 I CA -0.900 60.391 61.300 -0.015 0.000 1.082 235 I CB 0.537 38.520 38.000 -0.028 0.000 1.323 235 I HN -0.134 nan 8.210 nan 0.000 0.489 236 R N 3.012 123.509 120.500 -0.005 0.000 2.060 236 R HA -0.095 4.245 4.340 0.001 0.000 0.206 236 R C 1.655 177.953 176.300 -0.003 0.000 1.226 236 R CA 2.570 58.669 56.100 -0.003 0.000 1.002 236 R CB -0.833 29.469 30.300 0.002 0.000 0.791 236 R HN 0.563 nan 8.270 nan 0.000 0.489 237 D N 0.037 120.436 120.400 -0.001 0.000 2.221 237 D HA -0.186 4.454 4.640 0.001 0.000 0.204 237 D C 1.205 177.503 176.300 -0.003 0.000 0.982 237 D CA 1.255 55.255 54.000 -0.001 0.000 0.857 237 D CB -0.404 40.396 40.800 0.001 0.000 0.934 237 D HN 0.512 nan 8.370 nan 0.000 0.475 238 Q N -0.818 118.980 119.800 -0.004 0.000 2.491 238 Q HA 0.079 4.419 4.340 0.001 0.000 0.214 238 Q C 1.351 177.346 176.000 -0.008 0.000 0.970 238 Q CA 0.243 56.043 55.803 -0.006 0.000 0.960 238 Q CB -0.010 28.724 28.738 -0.006 0.000 0.996 238 Q HN 0.551 nan 8.270 nan 0.000 0.524 239 M N -1.123 118.473 119.600 -0.008 0.000 3.200 239 M HA 0.294 4.775 4.480 0.001 0.000 0.175 239 M C -0.095 176.201 176.300 -0.007 0.000 1.847 239 M CA 1.042 56.337 55.300 -0.010 0.000 1.562 239 M CB 0.327 32.920 32.600 -0.013 0.000 0.969 239 M HN -0.001 nan 8.290 nan 0.000 0.588 240 A N 1.386 124.203 122.820 -0.006 0.000 2.681 240 A HA -0.176 4.144 4.320 0.001 0.000 0.304 240 A C 0.635 178.216 177.584 -0.004 0.000 1.516 240 A CA 1.054 53.089 52.037 -0.004 0.000 0.837 240 A CB -2.380 16.619 19.000 -0.002 0.000 0.998 240 A HN 0.914 nan 8.150 nan 0.000 0.466 241 A N 0.006 122.821 122.820 -0.007 0.000 2.684 241 A HA 0.503 4.823 4.320 0.001 0.000 0.288 241 A C 1.033 178.613 177.584 -0.007 0.000 1.337 241 A CA 0.908 52.941 52.037 -0.007 0.000 0.946 241 A CB -0.694 18.301 19.000 -0.009 0.000 1.093 241 A HN 1.515 nan 8.150 nan 0.000 0.543 242 T N 0.033 114.583 114.554 -0.007 0.000 3.855 242 T HA 0.310 4.661 4.350 0.001 0.000 0.306 242 T C 0.108 174.805 174.700 -0.006 0.000 1.575 242 T CA -0.423 61.672 62.100 -0.007 0.000 1.214 242 T CB -0.905 67.958 68.868 -0.008 0.000 1.262 242 T HN 0.662 nan 8.240 nan 0.000 0.883 243 E N 2.838 123.035 120.200 -0.005 0.000 2.918 243 E HA -0.111 4.239 4.350 0.001 0.000 0.232 243 E C 0.410 177.007 176.600 -0.005 0.000 1.073 243 E CA -0.436 55.961 56.400 -0.004 0.000 0.949 243 E CB 0.256 29.954 29.700 -0.003 0.000 0.937 243 E HN 0.661 nan 8.360 nan 0.000 0.536 244 Q N 3.986 123.783 119.800 -0.005 0.000 2.244 244 Q HA -0.025 4.315 4.340 0.001 0.000 0.278 244 Q C -0.338 175.658 176.000 -0.006 0.000 1.093 244 Q CA 0.204 56.002 55.803 -0.007 0.000 0.916 244 Q CB 1.030 29.762 28.738 -0.009 0.000 1.159 244 Q HN 0.594 nan 8.270 nan 0.000 0.384 245 D N 3.017 123.413 120.400 -0.006 0.000 2.045 245 D HA 0.135 4.775 4.640 0.001 0.000 0.280 245 D C -0.303 175.994 176.300 -0.005 0.000 1.117 245 D CA 0.183 54.181 54.000 -0.005 0.000 1.001 245 D CB 0.552 41.350 40.800 -0.004 0.000 1.159 245 D HN 0.679 nan 8.370 nan 0.000 0.477 246 K N -0.230 120.168 120.400 -0.003 0.000 2.565 246 K HA 0.302 4.622 4.320 0.001 0.000 0.251 246 K C -0.593 176.007 176.600 -0.001 0.000 0.956 246 K CA -0.843 55.443 56.287 -0.003 0.000 0.809 246 K CB 1.324 33.825 32.500 0.001 0.000 1.267 246 K HN 0.300 nan 8.250 nan 0.000 0.438 247 T N -0.046 114.506 114.554 -0.003 0.000 2.937 247 T HA 0.048 4.399 4.350 0.001 0.000 0.316 247 T C -1.608 173.097 174.700 0.009 0.000 1.079 247 T CA -0.640 61.460 62.100 -0.000 0.000 1.131 247 T CB 0.301 69.167 68.868 -0.003 0.000 1.000 247 T HN 0.323 nan 8.240 nan 0.000 0.549 248 P HA -0.129 nan 4.420 nan 0.000 0.216 248 P C 1.700 179.018 177.300 0.030 0.000 1.157 248 P CA 0.562 63.672 63.100 0.017 0.000 0.880 248 P CB -0.071 31.636 31.700 0.011 0.000 0.791 249 L N -0.670 120.575 121.223 0.037 0.000 2.083 249 L HA -0.193 4.147 4.340 0.001 0.000 0.209 249 L C 2.339 179.236 176.870 0.046 0.000 1.083 249 L CA 1.839 56.715 54.840 0.060 0.000 0.752 249 L CB -1.241 40.868 42.059 0.083 0.000 0.899 249 L HN -0.027 nan 8.230 nan 0.000 0.433 250 Q N -0.999 118.818 119.800 0.027 0.000 1.993 250 Q HA -0.276 4.064 4.340 0.001 0.000 0.202 250 Q C 2.241 178.262 176.000 0.035 0.000 0.984 250 Q CA 2.254 58.069 55.803 0.020 0.000 0.837 250 Q CB -0.242 28.499 28.738 0.005 0.000 0.902 250 Q HN 0.629 nan 8.270 nan 0.000 0.423 251 Q N 0.473 120.293 119.800 0.032 0.000 2.112 251 Q HA -0.242 4.098 4.340 0.001 0.000 0.206 251 Q C 2.039 178.074 176.000 0.059 0.000 0.987 251 Q CA 1.478 57.304 55.803 0.039 0.000 0.858 251 Q CB -0.130 28.626 28.738 0.029 0.000 0.905 251 Q HN 0.053 nan 8.270 nan 0.000 0.420 252 K N 0.894 121.330 120.400 0.060 0.000 2.044 252 K HA -0.160 4.160 4.320 0.001 0.000 0.210 252 K C 1.737 178.405 176.600 0.113 0.000 1.049 252 K CA 1.380 57.713 56.287 0.075 0.000 0.927 252 K CB -0.228 32.312 32.500 0.065 0.000 0.713 252 K HN 0.160 nan 8.250 nan 0.000 0.443 253 L N 0.020 121.308 121.223 0.108 0.000 2.095 253 L HA -0.118 4.222 4.340 0.001 0.000 0.204 253 L C 1.881 178.872 176.870 0.201 0.000 1.080 253 L CA 1.067 56.010 54.840 0.172 0.000 0.759 253 L CB -0.411 41.714 42.059 0.110 0.000 0.914 253 L HN 0.190 nan 8.230 nan 0.000 0.439 254 D N -0.149 120.320 120.400 0.115 0.000 2.219 254 D HA -0.191 4.449 4.640 0.001 0.000 0.205 254 D C 1.994 178.342 176.300 0.080 0.000 0.970 254 D CA 0.846 54.895 54.000 0.081 0.000 0.851 254 D CB 0.157 40.985 40.800 0.047 0.000 0.943 254 D HN 0.402 nan 8.370 nan 0.000 0.488 255 E N 0.030 120.291 120.200 0.103 0.000 2.031 255 E HA -0.198 4.152 4.350 0.001 0.000 0.193 255 E C 1.858 178.538 176.600 0.134 0.000 0.994 255 E CA 0.574 57.033 56.400 0.099 0.000 0.800 255 E CB -0.307 29.454 29.700 0.102 0.000 0.752 255 E HN 0.168 nan 8.360 nan 0.000 0.447 256 F N 1.317 121.281 119.950 0.023 0.000 2.529 256 F HA 0.006 4.534 4.527 0.001 0.000 0.297 256 F C 1.652 177.468 175.800 0.026 0.000 1.114 256 F CA 1.334 59.350 58.000 0.027 0.000 1.467 256 F CB -0.341 38.682 39.000 0.038 0.000 1.096 256 F HN 0.089 nan 8.300 nan 0.000 0.586 257 G N -0.343 108.454 108.800 -0.005 0.000 2.395 257 G HA2 -0.170 3.791 3.960 0.001 0.000 0.214 257 G HA3 -0.170 3.791 3.960 0.001 0.000 0.214 257 G C 1.563 176.398 174.900 -0.108 0.000 1.177 257 G CA 0.515 45.570 45.100 -0.075 0.000 0.794 257 G HN 0.422 nan 8.290 nan 0.000 0.532 258 E N -0.170 119.994 120.200 -0.059 0.000 2.158 258 E HA -0.080 4.271 4.350 0.001 0.000 0.191 258 E C 2.395 178.947 176.600 -0.080 0.000 0.982 258 E CA 0.321 56.688 56.400 -0.054 0.000 0.823 258 E CB -0.038 29.650 29.700 -0.020 0.000 0.766 258 E HN 0.511 nan 8.360 nan 0.000 0.468 259 Q N 0.457 120.200 119.800 -0.095 0.000 2.226 259 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 259 Q C 1.893 177.783 176.000 -0.184 0.000 0.975 259 Q CA 0.892 56.636 55.803 -0.099 0.000 0.866 259 Q CB 0.187 28.909 28.738 -0.026 0.000 0.915 259 Q HN 0.290 nan 8.270 nan 0.000 0.440 260 L N -1.185 119.858 121.223 -0.300 0.000 2.408 260 L HA 0.035 4.376 4.340 0.001 0.000 0.215 260 L C 2.361 179.137 176.870 -0.156 0.000 1.081 260 L CA 0.383 55.057 54.840 -0.276 0.000 0.840 260 L CB -0.085 41.718 42.059 -0.427 0.000 1.002 260 L HN 0.110 nan 8.230 nan 0.000 0.468 261 S N 0.137 115.759 115.700 -0.130 0.000 2.419 261 S HA -0.201 4.269 4.470 0.001 0.000 0.233 261 S C 1.986 176.554 174.600 -0.053 0.000 1.016 261 S CA 1.407 59.560 58.200 -0.078 0.000 0.974 261 S CB 0.054 63.218 63.200 -0.060 0.000 0.786 261 S HN 0.285 nan 8.310 nan 0.000 0.492 262 K N 0.315 120.683 120.400 -0.053 0.000 2.021 262 K HA -0.008 4.312 4.320 0.001 0.000 0.205 262 K C 1.986 178.570 176.600 -0.027 0.000 1.047 262 K CA 1.427 57.694 56.287 -0.032 0.000 0.943 262 K CB -0.357 32.127 32.500 -0.027 0.000 0.725 262 K HN 0.260 nan 8.250 nan 0.000 0.439 263 V N 2.383 122.273 119.914 -0.039 0.000 2.231 263 V HA -0.318 3.802 4.120 0.001 0.000 0.248 263 V C 2.451 178.533 176.094 -0.020 0.000 1.054 263 V CA 1.654 63.937 62.300 -0.028 0.000 1.015 263 V CB -0.438 31.364 31.823 -0.036 0.000 0.638 263 V HN 0.346 nan 8.190 nan 0.000 0.444 264 I N 0.094 120.644 120.570 -0.034 0.000 2.163 264 I HA -0.233 3.937 4.170 0.001 0.000 0.243 264 I C 2.738 178.856 176.117 0.002 0.000 1.085 264 I CA 2.061 63.349 61.300 -0.020 0.000 1.347 264 I CB -1.592 36.383 38.000 -0.042 0.000 1.044 264 I HN 0.372 nan 8.210 nan 0.000 0.408 265 S N 0.531 116.226 115.700 -0.008 0.000 2.402 265 S HA -0.167 4.303 4.470 0.001 0.000 0.233 265 S C 2.093 176.711 174.600 0.029 0.000 1.030 265 S CA 1.267 59.469 58.200 0.004 0.000 1.003 265 S CB -0.145 63.052 63.200 -0.005 0.000 0.813 265 S HN 0.349 nan 8.310 nan 0.000 0.477 266 L N 0.793 122.034 121.223 0.031 0.000 2.023 266 L HA 0.005 4.345 4.340 0.001 0.000 0.205 266 L C 2.183 179.108 176.870 0.091 0.000 1.073 266 L CA 1.243 56.114 54.840 0.052 0.000 0.745 266 L CB -0.523 41.555 42.059 0.032 0.000 0.900 266 L HN 0.368 nan 8.230 nan 0.000 0.435 267 I N -1.274 119.344 120.570 0.081 0.000 2.530 267 I HA -0.309 3.861 4.170 0.001 0.000 0.257 267 I C 2.500 178.779 176.117 0.271 0.000 1.179 267 I CA 0.641 62.031 61.300 0.150 0.000 1.440 267 I CB -0.800 37.251 38.000 0.083 0.000 1.087 267 I HN 0.372 nan 8.210 nan 0.000 0.440 268 C N 0.484 119.887 119.300 0.170 0.000 2.489 268 C HA -0.055 4.405 4.460 0.001 0.000 0.279 268 C C 2.827 177.943 174.990 0.210 0.000 1.266 268 C CA 0.394 59.505 59.018 0.155 0.000 1.707 268 C CB -0.564 27.218 27.740 0.070 0.000 2.059 268 C HN 0.366 nan 8.230 nan 0.000 0.481 269 V N 1.439 121.465 119.914 0.187 0.000 3.078 269 V HA -0.067 4.054 4.120 0.001 0.000 0.265 269 V C 2.216 178.488 176.094 0.295 0.000 1.122 269 V CA 1.673 64.116 62.300 0.239 0.000 1.141 269 V CB -1.186 30.724 31.823 0.144 0.000 0.735 269 V HN 0.598 nan 8.190 nan 0.000 0.498 270 A N -0.863 122.126 122.820 0.282 0.000 2.278 270 A HA 0.243 4.564 4.320 0.001 0.000 0.212 270 A C 1.903 179.718 177.584 0.384 0.000 1.213 270 A CA 0.705 52.941 52.037 0.333 0.000 0.840 270 A CB 0.047 19.242 19.000 0.325 0.000 0.866 270 A HN 0.342 nan 8.150 nan 0.000 0.489 271 V N -3.265 116.820 119.914 0.286 0.000 2.996 271 V HA -0.027 4.093 4.120 0.001 0.000 0.235 271 V C 1.805 178.028 176.094 0.215 0.000 1.205 271 V CA 0.485 62.853 62.300 0.113 0.000 1.225 271 V CB -0.784 31.058 31.823 0.031 0.000 0.995 271 V HN 0.826 nan 8.190 nan 0.000 0.484 272 W N 0.810 122.215 121.300 0.174 0.000 2.424 272 W HA -0.126 4.535 4.660 0.000 0.000 0.264 272 W C 1.707 178.374 176.519 0.246 0.000 1.229 272 W CA 1.637 59.152 57.345 0.284 0.000 1.208 272 W CB 0.069 29.699 29.460 0.283 0.000 1.127 272 W HN 0.187 nan 8.180 nan 0.000 0.588 273 L N 0.076 121.459 121.223 0.267 0.000 2.286 273 L HA 0.018 4.358 4.340 0.001 0.000 0.203 273 L C 2.210 179.028 176.870 -0.087 0.000 1.068 273 L CA 0.631 55.522 54.840 0.085 0.000 0.811 273 L CB -0.666 41.526 42.059 0.221 0.000 0.989 273 L HN -0.032 nan 8.230 nan 0.000 0.467 274 I N -2.772 117.781 120.570 -0.030 0.000 3.528 274 I HA -0.021 4.149 4.170 0.001 0.000 0.298 274 I C 0.311 176.313 176.117 -0.192 0.000 1.281 274 I CA 0.902 62.158 61.300 -0.073 0.000 1.269 274 I CB -0.342 37.660 38.000 0.004 0.000 1.013 274 I HN 0.234 nan 8.210 nan 0.000 0.512 275 N N 1.449 119.921 118.700 -0.380 0.000 2.475 275 N HA 0.153 4.893 4.740 0.001 0.000 0.272 275 N C 1.377 176.143 175.510 -1.241 0.000 1.482 275 N CA -0.019 52.645 53.050 -0.644 0.000 0.863 275 N CB 0.691 38.654 38.487 -0.874 0.000 1.400 275 N HN 0.393 nan 8.380 nan 0.000 0.489 276 I N -2.148 117.754 120.570 -1.115 0.000 2.830 276 I HA 0.100 4.271 4.170 0.001 0.000 0.263 276 I C 1.512 176.980 176.117 -1.082 0.000 1.230 276 I CA 1.269 61.643 61.300 -1.543 0.000 1.480 276 I CB -1.255 36.337 38.000 -0.680 0.000 1.095 276 I HN -0.096 nan 8.210 nan 0.000 0.455 277 G N -0.011 108.362 108.800 -0.711 0.000 2.712 277 G HA2 -0.104 3.856 3.960 0.001 0.000 0.212 277 G HA3 -0.104 3.856 3.960 0.001 0.000 0.212 277 G C 1.380 175.979 174.900 -0.502 0.000 1.142 277 G CA 0.054 44.856 45.100 -0.496 0.000 0.789 277 G HN 0.499 nan 8.290 nan 0.000 0.535 278 H N -0.616 118.162 119.070 -0.486 0.000 2.592 278 H HA 0.153 4.710 4.556 0.001 0.000 0.265 278 H C 1.544 176.888 175.328 0.026 0.000 0.955 278 H CA -0.271 55.649 56.048 -0.213 0.000 1.175 278 H CB 0.245 29.873 29.762 -0.223 0.000 1.433 278 H HN 0.252 nan 8.280 nan 0.000 0.537 279 F N 1.415 121.359 119.950 -0.010 0.000 2.346 279 F HA -0.118 4.410 4.527 0.000 0.000 0.301 279 F C 0.470 176.332 175.800 0.103 0.000 1.070 279 F CA 0.716 58.750 58.000 0.056 0.000 1.407 279 F CB -0.753 38.231 39.000 -0.027 0.000 1.072 279 F HN 0.089 nan 8.300 nan 0.000 0.543 280 N N 0.618 119.459 118.700 0.235 0.000 2.682 280 N HA 0.195 4.936 4.740 0.001 0.000 0.252 280 N C -1.235 174.341 175.510 0.109 0.000 1.081 280 N CA -0.322 52.825 53.050 0.162 0.000 0.844 280 N CB 1.018 39.583 38.487 0.131 0.000 1.167 280 N HN -0.091 nan 8.380 nan 0.000 0.523 281 D N 0.562 121.039 120.400 0.128 0.000 2.552 281 D HA 0.232 4.872 4.640 0.001 0.000 0.239 281 D C -1.673 174.639 176.300 0.020 0.000 1.139 281 D CA -1.412 52.632 54.000 0.074 0.000 0.914 281 D CB 2.870 43.746 40.800 0.127 0.000 1.461 281 D HN 0.108 nan 8.370 nan 0.000 0.462 282 P HA -0.101 nan 4.420 nan 0.000 0.219 282 P C 1.457 178.716 177.300 -0.069 0.000 1.150 282 P CA 0.668 63.751 63.100 -0.029 0.000 0.814 282 P CB 0.646 32.329 31.700 -0.028 0.000 0.787 283 V N 1.365 121.192 119.914 -0.145 0.000 2.221 283 V HA -0.136 3.985 4.120 0.001 0.000 0.242 283 V C 1.474 177.390 176.094 -0.297 0.000 1.041 283 V CA 1.615 63.751 62.300 -0.274 0.000 0.995 283 V CB -1.469 30.087 31.823 -0.445 0.000 0.635 283 V HN 0.149 nan 8.190 nan 0.000 0.448 284 H N 0.912 119.931 119.070 -0.085 0.000 3.332 284 H HA 0.412 4.968 4.556 0.001 0.000 0.235 284 H C 1.168 176.460 175.328 -0.061 0.000 1.633 284 H CA 0.692 56.635 56.048 -0.176 0.000 1.288 284 H CB -0.796 28.824 29.762 -0.237 0.000 1.547 284 H HN 0.696 nan 8.280 nan 0.000 0.622 285 G N 0.649 109.456 108.800 0.012 0.000 2.609 285 G HA2 -0.297 3.663 3.960 0.001 0.000 0.288 285 G HA3 -0.297 3.663 3.960 0.001 0.000 0.288 285 G C 0.872 175.787 174.900 0.025 0.000 1.211 285 G CA 0.424 45.534 45.100 0.016 0.000 0.963 285 G HN 0.864 nan 8.290 nan 0.000 0.541 286 G N -1.846 106.979 108.800 0.042 0.000 3.976 286 G HA2 0.392 4.353 3.960 0.001 0.000 0.178 286 G HA3 0.392 4.353 3.960 0.001 0.000 0.178 286 G C 0.537 175.478 174.900 0.069 0.000 0.859 286 G CA 1.002 46.137 45.100 0.058 0.000 0.895 286 G HN 1.719 nan 8.290 nan 0.000 0.390 287 S N 0.604 116.298 115.700 -0.010 0.000 2.560 287 S HA 0.142 4.612 4.470 0.001 0.000 0.276 287 S C 1.174 175.760 174.600 -0.024 0.000 1.350 287 S CA 0.675 58.797 58.200 -0.129 0.000 1.024 287 S CB 0.178 63.135 63.200 -0.406 0.000 0.864 287 S HN 0.644 nan 8.310 nan 0.000 0.536 288 W N 1.833 123.173 121.300 0.067 0.000 2.538 288 W HA 0.090 4.750 4.660 0.001 0.000 0.254 288 W C 0.932 177.494 176.519 0.072 0.000 1.249 288 W CA 0.657 58.047 57.345 0.075 0.000 1.253 288 W CB -0.645 28.850 29.460 0.058 0.000 1.130 288 W HN 0.634 nan 8.180 nan 0.000 0.618 289 I N -3.035 117.414 120.570 -0.201 0.000 4.730 289 I HA 0.346 4.516 4.170 0.001 0.000 0.332 289 I C 2.311 178.350 176.117 -0.129 0.000 1.299 289 I CA -0.469 60.747 61.300 -0.139 0.000 1.294 289 I CB -0.371 37.539 38.000 -0.150 0.000 1.317 289 I HN -0.069 nan 8.210 nan 0.000 0.457 290 R N 2.116 122.531 120.500 -0.142 0.000 2.152 290 R HA -0.041 4.299 4.340 0.001 0.000 0.232 290 R C 1.971 178.309 176.300 0.063 0.000 1.117 290 R CA 1.770 57.841 56.100 -0.048 0.000 0.981 290 R CB -0.215 30.045 30.300 -0.066 0.000 0.870 290 R HN 0.570 nan 8.270 nan 0.000 0.451 291 G N -1.011 107.851 108.800 0.105 0.000 2.603 291 G HA2 -0.029 3.931 3.960 0.001 0.000 0.214 291 G HA3 -0.029 3.931 3.960 0.001 0.000 0.214 291 G C 1.282 176.292 174.900 0.184 0.000 1.140 291 G CA 0.407 45.672 45.100 0.274 0.000 0.800 291 G HN 0.380 nan 8.290 nan 0.000 0.533 292 A N 1.069 123.699 122.820 -0.317 0.000 1.930 292 A HA 0.186 4.506 4.320 0.001 0.000 0.215 292 A C 2.180 179.732 177.584 -0.053 0.000 1.176 292 A CA 0.738 52.213 52.037 -0.936 0.000 0.632 292 A CB -0.171 18.302 19.000 -0.878 0.000 0.819 292 A HN 0.235 nan 8.150 nan 0.000 0.445 293 I N -1.133 119.469 120.570 0.053 0.000 2.493 293 I HA -0.191 3.979 4.170 0.001 0.000 0.254 293 I C 2.247 178.538 176.117 0.290 0.000 1.160 293 I CA 1.193 62.599 61.300 0.177 0.000 1.445 293 I CB -1.485 36.565 38.000 0.084 0.000 1.086 293 I HN 0.557 nan 8.210 nan 0.000 0.433 294 Y N 1.447 121.819 120.300 0.120 0.000 2.092 294 Y HA -0.276 4.274 4.550 0.000 0.000 0.282 294 Y C 2.630 178.543 175.900 0.022 0.000 1.126 294 Y CA 1.728 59.845 58.100 0.028 0.000 1.111 294 Y CB -0.895 37.526 38.460 -0.065 0.000 0.987 294 Y HN 0.027 nan 8.280 nan 0.000 0.489 295 Y N -0.741 119.629 120.300 0.116 0.000 2.403 295 Y HA -0.225 4.325 4.550 0.001 0.000 0.291 295 Y C 2.255 178.323 175.900 0.280 0.000 1.143 295 Y CA 1.560 59.724 58.100 0.106 0.000 1.257 295 Y CB -0.835 37.838 38.460 0.355 0.000 0.984 295 Y HN 0.348 nan 8.280 nan 0.000 0.550 296 F N 1.098 121.289 119.950 0.403 0.000 2.216 296 F HA -0.178 4.349 4.527 0.001 0.000 0.300 296 F C 1.829 177.644 175.800 0.025 0.000 1.085 296 F CA 1.587 59.735 58.000 0.247 0.000 1.326 296 F CB -0.232 38.831 39.000 0.104 0.000 1.027 296 F HN -0.156 nan 8.300 nan 0.000 0.497 297 K N -0.364 119.886 120.400 -0.250 0.000 2.365 297 K HA 0.023 4.343 4.320 0.001 0.000 0.197 297 K C 1.783 178.145 176.600 -0.397 0.000 1.042 297 K CA 0.607 56.646 56.287 -0.413 0.000 0.987 297 K CB -0.004 32.329 32.500 -0.278 0.000 0.779 297 K HN 0.277 nan 8.250 nan 0.000 0.484 298 I N 1.190 121.516 120.570 -0.407 0.000 2.500 298 I HA -0.145 4.025 4.170 0.001 0.000 0.252 298 I C 2.204 178.209 176.117 -0.185 0.000 1.142 298 I CA 0.804 61.892 61.300 -0.354 0.000 1.451 298 I CB -0.422 37.317 38.000 -0.435 0.000 1.093 298 I HN 0.034 nan 8.210 nan 0.000 0.430 299 A N 0.070 122.816 122.820 -0.124 0.000 1.825 299 A HA -0.130 4.190 4.320 0.001 0.000 0.214 299 A C 2.407 179.892 177.584 -0.165 0.000 1.206 299 A CA 1.853 53.848 52.037 -0.070 0.000 0.609 299 A CB -1.228 17.785 19.000 0.022 0.000 0.851 299 A HN 0.153 nan 8.150 nan 0.000 0.445 300 V N 0.187 119.904 119.914 -0.328 0.000 2.370 300 V HA -0.335 3.785 4.120 0.001 0.000 0.252 300 V C 2.953 178.921 176.094 -0.211 0.000 1.068 300 V CA 2.266 64.366 62.300 -0.332 0.000 1.061 300 V CB -1.331 30.160 31.823 -0.553 0.000 0.656 300 V HN 0.652 nan 8.190 nan 0.000 0.455 301 A N -0.642 122.057 122.820 -0.203 0.000 1.874 301 A HA -0.094 4.227 4.320 0.001 0.000 0.214 301 A C 2.104 179.631 177.584 -0.095 0.000 1.189 301 A CA 1.599 53.554 52.037 -0.137 0.000 0.615 301 A CB -0.499 18.414 19.000 -0.144 0.000 0.830 301 A HN 0.436 nan 8.150 nan 0.000 0.443 302 L N -0.171 120.998 121.223 -0.090 0.000 2.131 302 L HA -0.078 4.263 4.340 0.001 0.000 0.210 302 L C 2.639 179.483 176.870 -0.043 0.000 1.092 302 L CA 1.778 56.588 54.840 -0.050 0.000 0.759 302 L CB -0.612 41.435 42.059 -0.021 0.000 0.903 302 L HN 0.382 nan 8.230 nan 0.000 0.435 303 A N -1.086 121.699 122.820 -0.057 0.000 1.835 303 A HA -0.186 4.134 4.320 0.001 0.000 0.215 303 A C 2.232 179.782 177.584 -0.057 0.000 1.199 303 A CA 2.196 54.200 52.037 -0.054 0.000 0.615 303 A CB -1.254 17.705 19.000 -0.068 0.000 0.838 303 A HN 0.217 nan 8.150 nan 0.000 0.444 304 V N 0.102 119.977 119.914 -0.065 0.000 2.317 304 V HA -0.334 3.787 4.120 0.001 0.000 0.251 304 V C 3.025 179.090 176.094 -0.049 0.000 1.065 304 V CA 2.262 64.530 62.300 -0.053 0.000 1.049 304 V CB -1.395 30.396 31.823 -0.054 0.000 0.651 304 V HN 0.664 nan 8.190 nan 0.000 0.450 305 A N -0.286 122.502 122.820 -0.053 0.000 1.877 305 A HA -0.073 4.247 4.320 0.001 0.000 0.216 305 A C 2.407 179.947 177.584 -0.074 0.000 1.186 305 A CA 2.168 54.170 52.037 -0.058 0.000 0.620 305 A CB -0.764 18.206 19.000 -0.050 0.000 0.822 305 A HN 0.583 nan 8.150 nan 0.000 0.443 306 A N -0.257 122.523 122.820 -0.067 0.000 1.872 306 A HA 0.197 4.517 4.320 0.001 0.000 0.214 306 A C 1.103 178.634 177.584 -0.088 0.000 1.187 306 A CA 0.404 52.393 52.037 -0.079 0.000 0.614 306 A CB -0.577 18.390 19.000 -0.055 0.000 0.826 306 A HN 0.461 nan 8.150 nan 0.000 0.442 307 I N 1.327 121.855 120.570 -0.070 0.000 2.826 307 I HA 0.001 4.171 4.170 0.001 0.000 0.295 307 I C -2.264 173.821 176.117 -0.053 0.000 1.213 307 I CA -1.029 60.234 61.300 -0.063 0.000 1.436 307 I CB 0.605 38.578 38.000 -0.044 0.000 1.348 307 I HN 0.109 nan 8.210 nan 0.000 0.570 308 P HA 0.149 nan 4.420 nan 0.000 0.256 308 P C -0.347 177.002 177.300 0.081 0.000 1.689 308 P CA -0.270 62.835 63.100 0.009 0.000 1.124 308 P CB 0.409 32.132 31.700 0.039 0.000 1.766 309 E N 1.020 121.259 120.200 0.064 0.000 2.268 309 E HA -0.076 4.274 4.350 0.001 0.000 0.195 309 E C 2.151 178.819 176.600 0.113 0.000 0.995 309 E CA 1.084 57.528 56.400 0.073 0.000 0.836 309 E CB -0.582 29.148 29.700 0.050 0.000 0.763 309 E HN 0.429 nan 8.360 nan 0.000 0.491 310 G N 0.644 109.576 108.800 0.221 0.000 2.623 310 G HA2 -0.123 3.838 3.960 0.001 0.000 0.214 310 G HA3 -0.123 3.838 3.960 0.001 0.000 0.214 310 G C 1.405 176.395 174.900 0.150 0.000 1.138 310 G CA 0.114 45.382 45.100 0.279 0.000 0.794 310 G HN 0.187 nan 8.290 nan 0.000 0.535 311 L N 1.612 123.006 121.223 0.285 0.000 1.963 311 L HA -0.035 4.305 4.340 0.001 0.000 0.220 311 L C 0.085 176.901 176.870 -0.090 0.000 1.076 311 L CA 2.326 57.224 54.840 0.097 0.000 0.772 311 L CB -0.899 41.315 42.059 0.258 0.000 0.892 311 L HN 0.075 nan 8.230 nan 0.000 0.435 312 P HA -0.170 nan 4.420 nan 0.000 0.215 312 P C 1.484 178.725 177.300 -0.098 0.000 1.157 312 P CA 2.149 65.220 63.100 -0.050 0.000 0.868 312 P CB -0.238 31.448 31.700 -0.023 0.000 0.788 313 A N -0.650 122.107 122.820 -0.104 0.000 1.873 313 A HA -0.156 4.165 4.320 0.001 0.000 0.215 313 A C 2.435 179.918 177.584 -0.168 0.000 1.186 313 A CA 1.835 53.800 52.037 -0.120 0.000 0.616 313 A CB -1.719 17.226 19.000 -0.092 0.000 0.823 313 A HN 0.127 nan 8.150 nan 0.000 0.442 314 V N -0.343 119.402 119.914 -0.282 0.000 2.490 314 V HA -0.195 3.925 4.120 0.001 0.000 0.250 314 V C 2.241 178.140 176.094 -0.326 0.000 1.061 314 V CA 2.220 64.284 62.300 -0.394 0.000 1.064 314 V CB -0.397 30.880 31.823 -0.911 0.000 0.670 314 V HN 0.563 nan 8.190 nan 0.000 0.461 315 I N -0.141 120.260 120.570 -0.281 0.000 2.163 315 I HA -0.163 4.008 4.170 0.001 0.000 0.240 315 I C 2.466 178.499 176.117 -0.141 0.000 1.081 315 I CA 2.472 63.661 61.300 -0.186 0.000 1.353 315 I CB -0.880 37.045 38.000 -0.126 0.000 1.054 315 I HN 0.283 nan 8.210 nan 0.000 0.407 316 T N 0.232 114.713 114.554 -0.122 0.000 2.721 316 T HA -0.207 4.143 4.350 0.001 0.000 0.268 316 T C 1.769 176.407 174.700 -0.104 0.000 1.038 316 T CA 2.273 64.315 62.100 -0.098 0.000 1.145 316 T CB -0.427 68.388 68.868 -0.089 0.000 0.858 316 T HN 0.480 nan 8.240 nan 0.000 0.459 317 T N 0.751 115.229 114.554 -0.125 0.000 2.698 317 T HA -0.096 4.254 4.350 0.001 0.000 0.260 317 T C 2.283 176.867 174.700 -0.192 0.000 1.044 317 T CA 1.265 63.289 62.100 -0.127 0.000 1.149 317 T CB -0.735 68.074 68.868 -0.098 0.000 0.864 317 T HN 0.435 nan 8.240 nan 0.000 0.419 318 C N 1.150 120.311 119.300 -0.233 0.000 2.403 318 C HA -0.055 4.406 4.460 0.001 0.000 0.277 318 C C 2.618 177.503 174.990 -0.175 0.000 1.248 318 C CA 0.349 59.216 59.018 -0.251 0.000 1.762 318 C CB -1.422 26.191 27.740 -0.212 0.000 2.014 318 C HN 0.384 nan 8.230 nan 0.000 0.486 319 L N 1.297 122.441 121.223 -0.130 0.000 2.005 319 L HA -0.066 4.274 4.340 0.001 0.000 0.207 319 L C 2.773 179.590 176.870 -0.088 0.000 1.072 319 L CA 2.296 57.081 54.840 -0.093 0.000 0.744 319 L CB -1.491 40.524 42.059 -0.073 0.000 0.895 319 L HN 0.308 nan 8.230 nan 0.000 0.433 320 A N -1.080 121.687 122.820 -0.088 0.000 1.940 320 A HA -0.212 4.108 4.320 0.001 0.000 0.219 320 A C 2.396 179.932 177.584 -0.080 0.000 1.176 320 A CA 1.681 53.676 52.037 -0.070 0.000 0.631 320 A CB -0.823 18.144 19.000 -0.055 0.000 0.814 320 A HN 0.400 nan 8.150 nan 0.000 0.446 321 L N -0.867 120.280 121.223 -0.126 0.000 2.046 321 L HA -0.151 4.189 4.340 0.001 0.000 0.208 321 L C 2.707 179.512 176.870 -0.110 0.000 1.077 321 L CA 1.209 55.960 54.840 -0.149 0.000 0.747 321 L CB -0.643 41.245 42.059 -0.285 0.000 0.896 321 L HN 0.510 nan 8.230 nan 0.000 0.432 322 G N -1.127 107.612 108.800 -0.103 0.000 2.453 322 G HA2 -0.273 3.687 3.960 0.001 0.000 0.215 322 G HA3 -0.273 3.687 3.960 0.001 0.000 0.215 322 G C 1.440 176.305 174.900 -0.059 0.000 1.201 322 G CA 1.226 46.281 45.100 -0.076 0.000 0.784 322 G HN 0.329 nan 8.290 nan 0.000 0.545 323 T N 0.370 114.891 114.554 -0.055 0.000 2.685 323 T HA -0.197 4.154 4.350 0.001 0.000 0.268 323 T C 2.280 176.955 174.700 -0.041 0.000 1.034 323 T CA 1.629 63.702 62.100 -0.045 0.000 1.149 323 T CB -0.152 68.691 68.868 -0.041 0.000 0.860 323 T HN 0.388 nan 8.240 nan 0.000 0.449 324 R N 0.862 121.336 120.500 -0.043 0.000 2.062 324 R HA 0.035 4.376 4.340 0.001 0.000 0.231 324 R C 2.627 178.908 176.300 -0.032 0.000 1.136 324 R CA 1.110 57.189 56.100 -0.034 0.000 0.948 324 R CB -0.082 30.202 30.300 -0.028 0.000 0.845 324 R HN 0.250 nan 8.270 nan 0.000 0.430 325 R N -0.432 120.046 120.500 -0.037 0.000 2.152 325 R HA -0.083 4.257 4.340 0.001 0.000 0.232 325 R C 2.112 178.393 176.300 -0.032 0.000 1.117 325 R CA 1.203 57.285 56.100 -0.030 0.000 0.981 325 R CB -0.107 30.172 30.300 -0.035 0.000 0.870 325 R HN 0.287 nan 8.270 nan 0.000 0.451 326 M N -0.264 119.313 119.600 -0.038 0.000 2.160 326 M HA 0.027 4.507 4.480 0.001 0.000 0.264 326 M C 2.406 178.681 176.300 -0.041 0.000 1.073 326 M CA 1.233 56.509 55.300 -0.040 0.000 1.142 326 M CB -1.165 31.410 32.600 -0.042 0.000 1.358 326 M HN 0.084 nan 8.290 nan 0.000 0.422 327 A N -0.053 122.743 122.820 -0.040 0.000 2.024 327 A HA -0.210 4.111 4.320 0.001 0.000 0.220 327 A C 2.305 179.858 177.584 -0.053 0.000 1.164 327 A CA 1.822 53.833 52.037 -0.043 0.000 0.643 327 A CB -0.790 18.188 19.000 -0.037 0.000 0.806 327 A HN 0.514 nan 8.150 nan 0.000 0.451 328 K N -0.076 120.298 120.400 -0.043 0.000 2.209 328 K HA -0.093 4.227 4.320 0.001 0.000 0.204 328 K C 0.744 177.313 176.600 -0.052 0.000 1.048 328 K CA 1.311 57.572 56.287 -0.043 0.000 0.940 328 K CB -0.090 32.395 32.500 -0.024 0.000 0.729 328 K HN 0.456 nan 8.250 nan 0.000 0.451 329 K N 0.798 121.169 120.400 -0.049 0.000 2.498 329 K HA 0.115 4.436 4.320 0.001 0.000 0.207 329 K C -0.478 176.088 176.600 -0.057 0.000 1.033 329 K CA -0.128 56.130 56.287 -0.048 0.000 1.138 329 K CB 0.457 32.935 32.500 -0.035 0.000 0.860 329 K HN 0.142 nan 8.250 nan 0.000 0.490 330 N N 0.374 119.030 118.700 -0.074 0.000 2.747 330 N HA -0.178 4.563 4.740 0.001 0.000 0.249 330 N C -0.785 174.698 175.510 -0.045 0.000 1.107 330 N CA 1.055 54.059 53.050 -0.078 0.000 0.707 330 N CB -1.435 36.996 38.487 -0.093 0.000 1.054 330 N HN 0.351 nan 8.380 nan 0.000 0.555 331 A N 0.360 123.154 122.820 -0.043 0.000 2.267 331 A HA 0.667 4.987 4.320 0.001 0.000 0.315 331 A C 0.346 177.911 177.584 -0.032 0.000 1.297 331 A CA -0.550 51.464 52.037 -0.037 0.000 0.865 331 A CB 0.516 19.488 19.000 -0.045 0.000 1.165 331 A HN 0.201 nan 8.150 nan 0.000 0.513 332 I N 2.756 123.312 120.570 -0.023 0.000 2.396 332 I HA 0.139 4.309 4.170 0.001 0.000 0.289 332 I C 0.011 176.114 176.117 -0.024 0.000 1.056 332 I CA 0.307 61.595 61.300 -0.019 0.000 1.365 332 I CB 1.440 39.436 38.000 -0.007 0.000 1.407 332 I HN 0.334 nan 8.210 nan 0.000 0.509 333 V N 8.183 128.081 119.914 -0.026 0.000 2.353 333 V HA 0.233 4.354 4.120 0.001 0.000 0.264 333 V C 1.282 177.362 176.094 -0.023 0.000 1.049 333 V CA -0.361 61.922 62.300 -0.028 0.000 0.896 333 V CB 0.451 32.255 31.823 -0.032 0.000 1.025 333 V HN 0.670 nan 8.190 nan 0.000 0.475 334 R N 2.083 122.571 120.500 -0.021 0.000 2.297 334 R HA 0.169 4.510 4.340 0.001 0.000 0.197 334 R C 0.622 176.911 176.300 -0.018 0.000 0.943 334 R CA 0.268 56.358 56.100 -0.017 0.000 1.038 334 R CB 0.404 30.695 30.300 -0.014 0.000 0.957 334 R HN 0.554 nan 8.270 nan 0.000 0.484 335 S N -0.224 115.463 115.700 -0.021 0.000 2.649 335 S HA 0.247 4.717 4.470 0.001 0.000 0.274 335 S C 0.723 175.310 174.600 -0.023 0.000 1.176 335 S CA -0.701 57.487 58.200 -0.020 0.000 0.988 335 S CB 0.891 64.080 63.200 -0.019 0.000 1.071 335 S HN 0.119 nan 8.310 nan 0.000 0.478 336 L N 3.981 125.190 121.223 -0.023 0.000 2.129 336 L HA -0.039 4.301 4.340 0.001 0.000 0.212 336 L C -0.916 175.940 176.870 -0.024 0.000 1.087 336 L CA 1.187 56.011 54.840 -0.026 0.000 0.757 336 L CB -1.743 40.300 42.059 -0.026 0.000 0.896 336 L HN 0.469 nan 8.230 nan 0.000 0.434 337 P HA -0.080 nan 4.420 nan 0.000 0.220 337 P C 1.727 179.015 177.300 -0.021 0.000 1.148 337 P CA 0.974 64.064 63.100 -0.017 0.000 0.803 337 P CB 0.104 31.796 31.700 -0.014 0.000 0.782 338 S N 0.076 115.761 115.700 -0.026 0.000 2.460 338 S HA -0.211 4.259 4.470 0.001 0.000 0.241 338 S C 1.985 176.565 174.600 -0.033 0.000 1.051 338 S CA 2.182 60.363 58.200 -0.031 0.000 1.223 338 S CB -1.615 61.565 63.200 -0.034 0.000 1.160 338 S HN -0.041 nan 8.310 nan 0.000 0.424 339 V N 2.575 122.468 119.914 -0.034 0.000 2.231 339 V HA -0.317 3.804 4.120 0.001 0.000 0.250 339 V C 2.505 178.582 176.094 -0.027 0.000 1.058 339 V CA 2.497 64.776 62.300 -0.035 0.000 1.022 339 V CB -1.152 30.649 31.823 -0.037 0.000 0.640 339 V HN 0.648 nan 8.190 nan 0.000 0.445 340 E N 0.475 120.664 120.200 -0.019 0.000 2.068 340 E HA -0.332 4.018 4.350 0.001 0.000 0.207 340 E C 2.137 178.724 176.600 -0.021 0.000 1.032 340 E CA 2.694 59.091 56.400 -0.005 0.000 0.839 340 E CB -0.416 29.286 29.700 0.004 0.000 0.758 340 E HN 0.662 nan 8.360 nan 0.000 0.457 341 T N 1.660 116.198 114.554 -0.026 0.000 2.777 341 T HA -0.090 4.260 4.350 0.001 0.000 0.266 341 T C 1.956 176.631 174.700 -0.042 0.000 1.040 341 T CA 1.065 63.144 62.100 -0.034 0.000 1.141 341 T CB -0.287 68.564 68.868 -0.028 0.000 0.868 341 T HN 0.177 nan 8.240 nan 0.000 0.444 342 L N 0.874 122.073 121.223 -0.040 0.000 2.189 342 L HA -0.126 4.215 4.340 0.001 0.000 0.214 342 L C 2.770 179.612 176.870 -0.046 0.000 1.097 342 L CA 1.119 55.933 54.840 -0.044 0.000 0.764 342 L CB -0.843 41.186 42.059 -0.049 0.000 0.900 342 L HN 0.403 nan 8.230 nan 0.000 0.436 343 G N -0.952 107.820 108.800 -0.047 0.000 2.446 343 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 343 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 343 G C 1.345 176.200 174.900 -0.075 0.000 1.168 343 G CA 0.988 46.055 45.100 -0.056 0.000 0.771 343 G HN 0.499 nan 8.290 nan 0.000 0.551 344 C N 1.465 120.713 119.300 -0.087 0.000 2.576 344 C HA 0.238 4.699 4.460 0.001 0.000 0.267 344 C C 1.304 176.261 174.990 -0.055 0.000 1.364 344 C CA -0.703 58.261 59.018 -0.090 0.000 1.723 344 C CB -1.522 26.159 27.740 -0.099 0.000 1.778 344 C HN 0.238 nan 8.230 nan 0.000 0.572 345 T N 1.749 116.277 114.554 -0.044 0.000 2.853 345 T HA 0.143 4.493 4.350 0.001 0.000 0.298 345 T C 1.183 175.870 174.700 -0.020 0.000 0.978 345 T CA 0.512 62.595 62.100 -0.028 0.000 1.152 345 T CB 0.771 69.622 68.868 -0.029 0.000 0.914 345 T HN 0.661 nan 8.240 nan 0.000 0.539 346 S N 1.507 117.202 115.700 -0.009 0.000 2.505 346 S HA 0.316 4.786 4.470 0.001 0.000 0.216 346 S C 0.316 174.922 174.600 0.009 0.000 1.018 346 S CA -0.413 57.786 58.200 -0.002 0.000 0.911 346 S CB 0.401 63.601 63.200 0.001 0.000 0.818 346 S HN 0.428 nan 8.310 nan 0.000 0.497 347 V N 2.049 121.971 119.914 0.013 0.000 2.668 347 V HA 0.487 4.608 4.120 0.001 0.000 0.304 347 V C -1.150 174.955 176.094 0.019 0.000 1.071 347 V CA -0.720 61.593 62.300 0.023 0.000 0.894 347 V CB 1.795 33.638 31.823 0.033 0.000 1.008 347 V HN 0.354 nan 8.190 nan 0.000 0.425 348 I N 3.682 124.269 120.570 0.029 0.000 2.337 348 I HA 0.323 4.493 4.170 0.001 0.000 0.285 348 I C 0.021 176.168 176.117 0.050 0.000 1.041 348 I CA -0.113 61.206 61.300 0.032 0.000 1.199 348 I CB 1.016 39.040 38.000 0.040 0.000 1.370 348 I HN 0.563 nan 8.210 nan 0.000 0.470 349 C N 4.150 123.469 119.300 0.032 0.000 2.593 349 C HA 0.451 4.911 4.460 0.001 0.000 0.409 349 C C 0.776 175.800 174.990 0.057 0.000 1.304 349 C CA 0.034 59.070 59.018 0.030 0.000 2.007 349 C CB 0.447 28.184 27.740 -0.004 0.000 2.614 349 C HN 0.776 nan 8.230 nan 0.000 0.585 350 S N 1.543 117.287 115.700 0.073 0.000 2.572 350 S HA 0.314 4.785 4.470 0.001 0.000 0.274 350 S C -1.002 173.647 174.600 0.081 0.000 1.150 350 S CA -0.597 57.672 58.200 0.113 0.000 0.944 350 S CB 1.066 64.400 63.200 0.222 0.000 1.071 350 S HN 0.870 nan 8.310 nan 0.000 0.479 351 D N 2.666 123.115 120.400 0.081 0.000 2.378 351 D HA 0.186 4.826 4.640 0.001 0.000 0.238 351 D C 1.111 177.445 176.300 0.056 0.000 1.180 351 D CA 0.155 54.195 54.000 0.065 0.000 0.895 351 D CB 0.757 41.597 40.800 0.066 0.000 1.192 351 D HN 0.516 nan 8.370 nan 0.000 0.438 352 K N 1.138 121.564 120.400 0.043 0.000 2.167 352 K HA 0.030 4.350 4.320 0.001 0.000 0.214 352 K C -0.070 176.545 176.600 0.024 0.000 1.024 352 K CA 0.235 56.534 56.287 0.019 0.000 0.951 352 K CB -0.564 31.942 32.500 0.011 0.000 0.907 352 K HN 0.514 nan 8.250 nan 0.000 0.459 353 T N 1.212 115.786 114.554 0.034 0.000 2.871 353 T HA 0.250 4.600 4.350 0.001 0.000 0.296 353 T C 0.827 175.551 174.700 0.040 0.000 0.998 353 T CA 0.760 62.879 62.100 0.033 0.000 1.162 353 T CB 0.400 69.290 68.868 0.037 0.000 0.947 353 T HN 0.651 nan 8.240 nan 0.000 0.536 354 G N 3.025 111.848 108.800 0.037 0.000 2.184 354 G HA2 -0.319 3.641 3.960 0.001 0.000 0.264 354 G HA3 -0.319 3.641 3.960 0.001 0.000 0.264 354 G C 0.766 175.703 174.900 0.061 0.000 0.975 354 G CA 0.729 45.858 45.100 0.048 0.000 0.642 354 G HN 0.726 nan 8.290 nan 0.000 0.536 355 T N -0.179 114.415 114.554 0.066 0.000 3.499 355 T HA 0.306 4.656 4.350 0.001 0.000 0.227 355 T C 2.331 177.083 174.700 0.086 0.000 0.946 355 T CA 0.661 62.831 62.100 0.115 0.000 1.368 355 T CB -0.197 68.749 68.868 0.130 0.000 1.227 355 T HN 0.106 nan 8.240 nan 0.000 0.398 356 L N 1.897 123.116 121.223 -0.007 0.000 2.131 356 L HA 0.024 4.364 4.340 0.001 0.000 0.210 356 L C 1.559 178.357 176.870 -0.119 0.000 1.092 356 L CA 0.817 55.549 54.840 -0.181 0.000 0.759 356 L CB -0.844 41.100 42.059 -0.192 0.000 0.903 356 L HN 0.468 nan 8.230 nan 0.000 0.435 357 T N -5.095 109.431 114.554 -0.046 0.000 2.923 357 T HA 0.230 4.580 4.350 0.001 0.000 0.281 357 T C 1.026 175.726 174.700 -0.000 0.000 0.995 357 T CA -0.018 62.065 62.100 -0.028 0.000 0.985 357 T CB 1.424 70.284 68.868 -0.014 0.000 1.114 357 T HN 0.141 nan 8.240 nan 0.000 0.548 358 T N -2.223 112.331 114.554 0.001 0.000 3.065 358 T HA 0.149 4.499 4.350 0.001 0.000 0.252 358 T C 1.066 175.785 174.700 0.031 0.000 1.099 358 T CA 0.497 62.606 62.100 0.014 0.000 1.063 358 T CB -0.873 67.995 68.868 -0.000 0.000 0.948 358 T HN 0.879 nan 8.240 nan 0.000 0.506 359 N N 1.003 119.724 118.700 0.034 0.000 2.708 359 N HA -0.160 4.581 4.740 0.001 0.000 0.251 359 N C -0.954 174.613 175.510 0.094 0.000 1.123 359 N CA 0.207 53.294 53.050 0.061 0.000 0.739 359 N CB -0.489 38.038 38.487 0.068 0.000 1.113 359 N HN 0.554 nan 8.380 nan 0.000 0.561 360 Q N 0.982 120.802 119.800 0.033 0.000 2.423 360 Q HA 0.191 4.531 4.340 0.001 0.000 0.235 360 Q C 0.201 176.154 176.000 -0.079 0.000 1.100 360 Q CA 0.398 56.171 55.803 -0.050 0.000 0.908 360 Q CB 0.705 29.373 28.738 -0.117 0.000 1.312 360 Q HN 0.300 nan 8.270 nan 0.000 0.497 361 M N 1.642 121.251 119.600 0.015 0.000 2.277 361 M HA 0.382 4.863 4.480 0.001 0.000 0.350 361 M C 0.135 176.413 176.300 -0.038 0.000 1.180 361 M CA -0.275 55.052 55.300 0.045 0.000 1.103 361 M CB 1.302 33.995 32.600 0.155 0.000 1.577 361 M HN 0.496 nan 8.290 nan 0.000 0.459 362 S N 0.838 116.513 115.700 -0.041 0.000 2.592 362 S HA 0.533 5.004 4.470 0.001 0.000 0.275 362 S C -0.963 173.612 174.600 -0.041 0.000 1.169 362 S CA -1.040 57.128 58.200 -0.054 0.000 0.958 362 S CB 0.910 64.040 63.200 -0.118 0.000 1.095 362 S HN 0.386 nan 8.310 nan 0.000 0.471 363 V N 2.895 122.792 119.914 -0.030 0.000 2.439 363 V HA 0.168 4.289 4.120 0.001 0.000 0.271 363 V C 1.629 177.685 176.094 -0.063 0.000 1.040 363 V CA -0.249 62.030 62.300 -0.036 0.000 1.002 363 V CB -0.331 31.474 31.823 -0.030 0.000 1.000 363 V HN 1.253 nan 8.190 nan 0.000 0.477 364 C N 2.523 121.769 119.300 -0.090 0.000 2.791 364 C HA 0.414 4.874 4.460 0.001 0.000 0.288 364 C C 0.697 175.586 174.990 -0.168 0.000 1.271 364 C CA -0.398 58.547 59.018 -0.122 0.000 1.726 364 C CB -0.426 27.232 27.740 -0.138 0.000 2.145 364 C HN 0.703 nan 8.230 nan 0.000 0.572 365 K N 1.590 121.860 120.400 -0.217 0.000 2.426 365 K HA 0.710 5.030 4.320 0.001 0.000 0.251 365 K C -0.960 175.638 176.600 -0.003 0.000 0.941 365 K CA -0.082 55.994 56.287 -0.351 0.000 0.808 365 K CB 2.310 34.113 32.500 -1.162 0.000 1.265 365 K HN 0.686 nan 8.250 nan 0.000 0.432 366 M N 0.865 120.626 119.600 0.268 0.000 2.534 366 M HA 0.661 5.141 4.480 0.001 0.000 0.280 366 M C -1.637 175.041 176.300 0.630 0.000 1.217 366 M CA -1.025 54.516 55.300 0.401 0.000 0.893 366 M CB 2.280 34.954 32.600 0.123 0.000 1.730 366 M HN 0.531 nan 8.290 nan 0.000 0.483 367 F N 1.970 122.148 119.950 0.380 0.000 2.628 367 F HA 0.872 5.400 4.527 0.001 0.000 0.309 367 F C -1.719 174.207 175.800 0.211 0.000 1.108 367 F CA -1.077 57.108 58.000 0.308 0.000 0.971 367 F CB 1.341 40.466 39.000 0.207 0.000 1.279 367 F HN 0.852 nan 8.300 nan 0.000 0.441 368 I N 1.067 121.994 120.570 0.595 0.000 3.170 368 I HA 0.618 4.788 4.170 0.001 0.000 0.312 368 I C -0.750 175.646 176.117 0.464 0.000 1.085 368 I CA -1.414 60.159 61.300 0.455 0.000 0.999 368 I CB 1.885 40.042 38.000 0.262 0.000 1.233 368 I HN 0.498 nan 8.210 nan 0.000 0.467 369 I N 2.177 122.977 120.570 0.383 0.000 2.696 369 I HA 0.074 4.244 4.170 0.001 0.000 0.284 369 I C 0.496 176.720 176.117 0.177 0.000 1.129 369 I CA 0.569 62.007 61.300 0.230 0.000 1.410 369 I CB 0.589 38.708 38.000 0.199 0.000 1.399 369 I HN 0.832 nan 8.210 nan 0.000 0.579 370 D N 3.768 124.225 120.400 0.095 0.000 2.943 370 D HA 0.089 4.730 4.640 0.001 0.000 0.282 370 D C 0.289 176.641 176.300 0.086 0.000 1.148 370 D CA 0.820 54.885 54.000 0.109 0.000 1.006 370 D CB 0.787 41.630 40.800 0.071 0.000 1.168 370 D HN 0.513 nan 8.370 nan 0.000 0.450 371 K N 0.148 120.562 120.400 0.023 0.000 2.525 371 K HA 0.530 4.850 4.320 0.001 0.000 0.254 371 K C -2.004 174.566 176.600 -0.050 0.000 0.934 371 K CA -0.728 55.584 56.287 0.043 0.000 0.802 371 K CB 2.391 34.978 32.500 0.144 0.000 1.295 371 K HN -0.096 nan 8.250 nan 0.000 0.433 372 V N 2.746 122.666 119.914 0.010 0.000 2.531 372 V HA 0.426 4.546 4.120 0.001 0.000 0.301 372 V C -1.378 174.758 176.094 0.070 0.000 1.034 372 V CA -0.550 61.742 62.300 -0.014 0.000 0.865 372 V CB 1.660 33.483 31.823 -0.001 0.000 0.995 372 V HN 0.930 nan 8.190 nan 0.000 0.424 373 D N 3.373 123.839 120.400 0.110 0.000 2.419 373 D HA 0.521 5.161 4.640 0.001 0.000 0.219 373 D C 0.329 176.719 176.300 0.151 0.000 1.349 373 D CA 0.986 55.075 54.000 0.148 0.000 0.964 373 D CB 1.188 42.110 40.800 0.204 0.000 1.463 373 D HN 0.967 nan 8.370 nan 0.000 0.573 374 G N 3.884 112.737 108.800 0.088 0.000 2.596 374 G HA2 -0.340 3.621 3.960 0.001 0.000 0.295 374 G HA3 -0.340 3.621 3.960 0.001 0.000 0.295 374 G C 0.497 175.440 174.900 0.071 0.000 1.240 374 G CA 0.425 45.568 45.100 0.072 0.000 0.985 374 G HN 0.556 nan 8.290 nan 0.000 0.555 375 D N 0.457 120.903 120.400 0.078 0.000 2.338 375 D HA 0.321 4.962 4.640 0.001 0.000 0.239 375 D C 0.363 176.729 176.300 0.110 0.000 1.095 375 D CA 0.522 54.559 54.000 0.063 0.000 0.888 375 D CB -0.094 40.735 40.800 0.048 0.000 0.899 375 D HN 0.303 nan 8.370 nan 0.000 0.525 376 F N 1.162 121.100 119.950 -0.021 0.000 2.444 376 F HA 0.420 4.948 4.527 0.001 0.000 0.342 376 F C -0.961 174.823 175.800 -0.027 0.000 1.121 376 F CA -1.553 56.432 58.000 -0.025 0.000 0.997 376 F CB 1.039 40.028 39.000 -0.018 0.000 1.130 376 F HN -0.147 nan 8.300 nan 0.000 0.454 377 C N 6.108 124.881 119.300 -0.879 0.000 2.482 377 C HA 0.853 5.314 4.460 0.001 0.000 0.317 377 C C -0.911 173.539 174.990 -0.900 0.000 1.197 377 C CA -0.078 58.482 59.018 -0.764 0.000 1.432 377 C CB 0.377 27.893 27.740 -0.374 0.000 2.062 377 C HN 1.022 nan 8.230 nan 0.000 0.471 378 S N 6.138 121.411 115.700 -0.712 0.000 2.542 378 S HA 0.867 5.337 4.470 0.001 0.000 0.293 378 S C -1.121 173.340 174.600 -0.232 0.000 1.089 378 S CA -0.684 57.262 58.200 -0.422 0.000 0.961 378 S CB 1.172 64.224 63.200 -0.246 0.000 1.062 378 S HN 0.815 nan 8.310 nan 0.000 0.483 379 L N 1.731 122.826 121.223 -0.213 0.000 2.319 379 L HA 0.572 4.912 4.340 0.001 0.000 0.267 379 L C -0.131 176.695 176.870 -0.074 0.000 1.011 379 L CA -0.999 53.749 54.840 -0.153 0.000 0.818 379 L CB 1.348 43.149 42.059 -0.429 0.000 1.316 379 L HN 0.722 nan 8.230 nan 0.000 0.432 380 N N 0.981 119.694 118.700 0.021 0.000 2.589 380 N HA 0.222 4.963 4.740 0.001 0.000 0.232 380 N C -0.979 174.461 175.510 -0.116 0.000 1.015 380 N CA -0.410 52.571 53.050 -0.116 0.000 0.931 380 N CB 0.955 39.396 38.487 -0.076 0.000 1.150 380 N HN 0.582 nan 8.380 nan 0.000 0.512 381 E N 1.556 121.665 120.200 -0.152 0.000 2.349 381 E HA 0.352 4.702 4.350 0.001 0.000 0.265 381 E C -0.823 175.569 176.600 -0.347 0.000 1.064 381 E CA 0.107 56.545 56.400 0.063 0.000 0.886 381 E CB 1.068 30.896 29.700 0.214 0.000 1.036 381 E HN 0.310 nan 8.360 nan 0.000 0.413 382 F N -0.452 119.551 119.950 0.087 0.000 2.664 382 F HA 0.440 4.968 4.527 0.001 0.000 0.317 382 F C -0.168 175.605 175.800 -0.044 0.000 1.108 382 F CA -0.751 57.235 58.000 -0.023 0.000 0.957 382 F CB 2.159 41.117 39.000 -0.070 0.000 1.365 382 F HN 0.216 nan 8.300 nan 0.000 0.475 383 S N 1.952 117.732 115.700 0.133 0.000 2.548 383 S HA 0.798 5.269 4.470 0.001 0.000 0.286 383 S C -1.541 173.063 174.600 0.006 0.000 1.098 383 S CA -0.619 57.583 58.200 0.003 0.000 0.930 383 S CB 1.922 65.097 63.200 -0.042 0.000 1.070 383 S HN 0.310 nan 8.310 nan 0.000 0.480 384 I N 2.307 122.853 120.570 -0.040 0.000 2.545 384 I HA 0.503 4.673 4.170 0.001 0.000 0.292 384 I C 0.272 176.354 176.117 -0.058 0.000 1.040 384 I CA -0.670 60.603 61.300 -0.044 0.000 1.068 384 I CB 1.408 39.374 38.000 -0.056 0.000 1.251 384 I HN 0.730 nan 8.210 nan 0.000 0.424 385 T N 0.264 114.787 114.554 -0.052 0.000 2.940 385 T HA 0.870 5.220 4.350 0.001 0.000 0.288 385 T C 0.120 174.784 174.700 -0.059 0.000 1.033 385 T CA -0.530 61.538 62.100 -0.054 0.000 1.033 385 T CB 2.005 70.847 68.868 -0.042 0.000 1.079 385 T HN 1.497 nan 8.240 nan 0.000 0.496 386 G N 0.338 109.101 108.800 -0.061 0.000 3.067 386 G HA2 0.047 4.007 3.960 0.001 0.000 0.686 386 G HA3 0.047 4.007 3.960 0.001 0.000 0.686 386 G C 0.081 174.931 174.900 -0.084 0.000 1.119 386 G CA -0.170 44.889 45.100 -0.067 0.000 0.790 386 G HN 0.853 nan 8.290 nan 0.000 0.605 387 S N -0.272 115.372 115.700 -0.093 0.000 2.506 387 S HA 0.279 4.750 4.470 0.001 0.000 0.219 387 S C 1.684 176.168 174.600 -0.194 0.000 1.031 387 S CA 1.232 59.358 58.200 -0.124 0.000 0.911 387 S CB 0.219 63.357 63.200 -0.103 0.000 0.812 387 S HN 1.580 nan 8.310 nan 0.000 0.497 388 T N -0.892 113.560 114.554 -0.171 0.000 2.849 388 T HA 0.330 4.681 4.350 0.001 0.000 0.276 388 T C 0.384 174.945 174.700 -0.231 0.000 0.971 388 T CA -0.414 61.540 62.100 -0.242 0.000 0.949 388 T CB 0.135 68.954 68.868 -0.083 0.000 1.093 388 T HN 0.136 nan 8.240 nan 0.000 0.545 389 Y N 0.195 120.506 120.300 0.019 0.000 2.584 389 Y HA 0.418 4.968 4.550 0.001 0.000 0.317 389 Y C 1.602 177.463 175.900 -0.065 0.000 1.208 389 Y CA -0.396 57.705 58.100 0.002 0.000 1.299 389 Y CB -1.383 37.106 38.460 0.048 0.000 1.047 389 Y HN 0.784 nan 8.280 nan 0.000 0.506 390 A N 2.111 124.920 122.820 -0.019 0.000 2.440 390 A HA 0.239 4.560 4.320 0.001 0.000 0.251 390 A C -1.575 175.788 177.584 -0.369 0.000 1.089 390 A CA -1.344 50.487 52.037 -0.343 0.000 0.779 390 A CB 0.092 19.011 19.000 -0.135 0.000 1.022 390 A HN 0.084 nan 8.150 nan 0.000 0.492 391 P HA 0.059 nan 4.420 nan 0.000 0.271 391 P C -0.564 176.604 177.300 -0.220 0.000 1.535 391 P CA 0.548 63.456 63.100 -0.320 0.000 0.820 391 P CB -0.289 31.214 31.700 -0.329 0.000 1.606 392 E N 0.287 120.374 120.200 -0.189 0.000 2.129 392 E HA 0.638 4.988 4.350 0.001 0.000 0.268 392 E C 0.458 177.008 176.600 -0.084 0.000 0.900 392 E CA -0.579 55.752 56.400 -0.114 0.000 0.755 392 E CB 1.553 31.201 29.700 -0.087 0.000 1.117 392 E HN 0.165 nan 8.360 nan 0.000 0.410 393 G N 2.387 111.147 108.800 -0.068 0.000 2.324 393 G HA2 0.190 4.151 3.960 0.001 0.000 0.293 393 G HA3 0.190 4.151 3.960 0.001 0.000 0.293 393 G C -1.488 173.384 174.900 -0.047 0.000 1.297 393 G CA -0.862 44.205 45.100 -0.055 0.000 0.853 393 G HN 0.392 nan 8.290 nan 0.000 0.535 394 E N -1.463 118.714 120.200 -0.038 0.000 2.393 394 E HA 0.586 4.936 4.350 0.001 0.000 0.273 394 E C -1.085 175.503 176.600 -0.020 0.000 0.918 394 E CA -0.995 55.389 56.400 -0.026 0.000 0.773 394 E CB 3.087 32.779 29.700 -0.012 0.000 1.275 394 E HN 0.348 nan 8.360 nan 0.000 0.451 395 V N 2.625 122.534 119.914 -0.008 0.000 2.370 395 V HA 0.337 4.457 4.120 0.001 0.000 0.279 395 V C -0.440 175.701 176.094 0.077 0.000 1.029 395 V CA -0.608 61.702 62.300 0.015 0.000 0.870 395 V CB 0.366 32.165 31.823 -0.040 0.000 0.984 395 V HN 0.408 nan 8.190 nan 0.000 0.451 396 L N 4.428 125.708 121.223 0.096 0.000 2.305 396 L HA 0.572 4.912 4.340 0.001 0.000 0.284 396 L C 0.900 177.824 176.870 0.090 0.000 1.013 396 L CA -0.665 54.224 54.840 0.081 0.000 0.819 396 L CB 1.583 43.658 42.059 0.027 0.000 1.227 396 L HN 0.522 nan 8.230 nan 0.000 0.417 397 K N 2.101 122.537 120.400 0.060 0.000 2.029 397 K HA 0.109 4.430 4.320 0.001 0.000 0.205 397 K C 0.534 177.058 176.600 -0.128 0.000 1.042 397 K CA 1.309 57.516 56.287 -0.134 0.000 0.949 397 K CB 0.350 32.775 32.500 -0.125 0.000 0.740 397 K HN 0.540 nan 8.250 nan 0.000 0.442 398 N N 1.178 119.849 118.700 -0.049 0.000 2.765 398 N HA 0.129 4.870 4.740 0.001 0.000 0.277 398 N C -1.357 174.145 175.510 -0.013 0.000 1.750 398 N CA 0.229 53.257 53.050 -0.038 0.000 0.827 398 N CB 1.086 39.556 38.487 -0.029 0.000 1.200 398 N HN 0.221 nan 8.380 nan 0.000 0.494 399 D N -0.205 120.188 120.400 -0.012 0.000 2.946 399 D HA -0.181 4.459 4.640 0.001 0.000 0.202 399 D C -0.498 175.807 176.300 0.008 0.000 1.068 399 D CA 1.315 55.312 54.000 -0.004 0.000 1.011 399 D CB -0.433 40.363 40.800 -0.007 0.000 1.105 399 D HN 0.404 nan 8.370 nan 0.000 0.425 400 K N 0.974 121.386 120.400 0.019 0.000 2.265 400 K HA 0.352 4.672 4.320 0.001 0.000 0.267 400 K C -2.551 174.078 176.600 0.049 0.000 0.994 400 K CA -1.838 54.468 56.287 0.033 0.000 0.860 400 K CB 1.500 34.025 32.500 0.042 0.000 1.099 400 K HN -0.050 nan 8.250 nan 0.000 0.448 401 P HA -0.030 nan 4.420 nan 0.000 0.258 401 P C -0.541 176.801 177.300 0.070 0.000 1.187 401 P CA 0.439 63.566 63.100 0.045 0.000 0.767 401 P CB 0.447 32.163 31.700 0.026 0.000 0.770 402 I N 3.256 123.885 120.570 0.098 0.000 2.607 402 I HA 0.321 4.492 4.170 0.001 0.000 0.305 402 I C 0.938 177.122 176.117 0.111 0.000 0.995 402 I CA -1.468 59.921 61.300 0.148 0.000 1.148 402 I CB 1.724 39.878 38.000 0.256 0.000 1.323 402 I HN 0.169 nan 8.210 nan 0.000 0.461 403 R N 4.115 124.694 120.500 0.132 0.000 2.296 403 R HA 0.218 4.559 4.340 0.001 0.000 0.327 403 R C 0.716 177.079 176.300 0.105 0.000 1.137 403 R CA -0.044 56.106 56.100 0.083 0.000 1.020 403 R CB 0.609 30.950 30.300 0.068 0.000 1.110 403 R HN 0.812 nan 8.270 nan 0.000 0.499 404 S N 2.865 118.576 115.700 0.018 0.000 2.381 404 S HA -0.215 4.256 4.470 0.001 0.000 0.230 404 S C 1.758 176.365 174.600 0.013 0.000 1.052 404 S CA 1.767 59.938 58.200 -0.049 0.000 1.068 404 S CB -0.256 62.838 63.200 -0.177 0.000 0.918 404 S HN 0.879 nan 8.310 nan 0.000 0.448 405 G N 0.648 109.427 108.800 -0.036 0.000 2.687 405 G HA2 -0.183 3.778 3.960 0.001 0.000 0.209 405 G HA3 -0.183 3.778 3.960 0.001 0.000 0.209 405 G C 1.035 175.944 174.900 0.016 0.000 1.146 405 G CA 0.637 45.711 45.100 -0.043 0.000 0.787 405 G HN 0.635 nan 8.290 nan 0.000 0.532 406 Q N -0.674 119.169 119.800 0.071 0.000 2.354 406 Q HA 0.173 4.513 4.340 0.001 0.000 0.203 406 Q C -0.158 175.725 176.000 -0.195 0.000 0.933 406 Q CA 0.075 55.848 55.803 -0.049 0.000 0.901 406 Q CB 0.066 28.771 28.738 -0.054 0.000 1.007 406 Q HN 0.373 nan 8.270 nan 0.000 0.495 407 F N 1.470 121.427 119.950 0.012 0.000 2.332 407 F HA 0.238 4.766 4.527 0.001 0.000 0.368 407 F C 0.587 176.382 175.800 -0.008 0.000 1.110 407 F CA -1.010 57.013 58.000 0.039 0.000 1.087 407 F CB 1.333 40.394 39.000 0.102 0.000 1.235 407 F HN -0.029 nan 8.300 nan 0.000 0.470 408 D N 2.762 123.233 120.400 0.118 0.000 2.149 408 D HA -0.193 4.447 4.640 0.001 0.000 0.194 408 D C 2.314 178.653 176.300 0.066 0.000 1.001 408 D CA 1.735 55.776 54.000 0.069 0.000 0.849 408 D CB -0.214 40.620 40.800 0.055 0.000 0.939 408 D HN 0.801 nan 8.370 nan 0.000 0.449 409 G N 0.829 109.700 108.800 0.118 0.000 2.475 409 G HA2 -0.227 3.734 3.960 0.001 0.000 0.220 409 G HA3 -0.227 3.734 3.960 0.001 0.000 0.220 409 G C 1.785 176.687 174.900 0.004 0.000 1.125 409 G CA 0.351 45.502 45.100 0.085 0.000 0.755 409 G HN 0.278 nan 8.290 nan 0.000 0.565 410 L N 0.233 121.450 121.223 -0.010 0.000 2.240 410 L HA -0.011 4.329 4.340 0.001 0.000 0.211 410 L C 2.934 179.698 176.870 -0.176 0.000 1.106 410 L CA 0.132 54.883 54.840 -0.150 0.000 0.793 410 L CB -0.311 41.590 42.059 -0.264 0.000 0.927 410 L HN 0.103 nan 8.230 nan 0.000 0.446 411 V N 0.055 119.886 119.914 -0.137 0.000 2.255 411 V HA -0.319 3.801 4.120 0.001 0.000 0.247 411 V C 2.404 178.378 176.094 -0.201 0.000 1.051 411 V CA 2.088 64.262 62.300 -0.210 0.000 1.018 411 V CB -0.538 31.207 31.823 -0.130 0.000 0.641 411 V HN 0.475 nan 8.190 nan 0.000 0.445 412 E N -0.044 120.076 120.200 -0.134 0.000 2.017 412 E HA -0.230 4.121 4.350 0.001 0.000 0.193 412 E C 2.315 178.784 176.600 -0.219 0.000 0.997 412 E CA 1.404 57.709 56.400 -0.158 0.000 0.804 412 E CB -0.249 29.403 29.700 -0.081 0.000 0.757 412 E HN 0.354 nan 8.360 nan 0.000 0.448 413 L N 0.991 122.102 121.223 -0.186 0.000 2.030 413 L HA -0.294 4.047 4.340 0.001 0.000 0.222 413 L C 2.277 179.013 176.870 -0.223 0.000 1.082 413 L CA 2.643 57.361 54.840 -0.204 0.000 0.785 413 L CB -1.436 40.509 42.059 -0.190 0.000 0.895 413 L HN 0.291 nan 8.230 nan 0.000 0.439 414 A N -1.663 121.014 122.820 -0.237 0.000 1.897 414 A HA -0.163 4.157 4.320 0.001 0.000 0.215 414 A C 2.185 179.617 177.584 -0.254 0.000 1.181 414 A CA 1.941 53.835 52.037 -0.238 0.000 0.620 414 A CB -0.932 17.908 19.000 -0.267 0.000 0.821 414 A HN 0.526 nan 8.150 nan 0.000 0.443 415 T N 0.690 115.063 114.554 -0.302 0.000 2.635 415 T HA -0.180 4.170 4.350 0.001 0.000 0.267 415 T C 1.788 176.199 174.700 -0.482 0.000 1.040 415 T CA 1.813 63.690 62.100 -0.371 0.000 1.156 415 T CB -0.499 68.101 68.868 -0.447 0.000 0.863 415 T HN 0.441 nan 8.240 nan 0.000 0.430 416 I N 0.634 120.900 120.570 -0.506 0.000 2.127 416 I HA -0.217 3.954 4.170 0.001 0.000 0.241 416 I C 2.781 178.779 176.117 -0.199 0.000 1.075 416 I CA 0.986 62.056 61.300 -0.382 0.000 1.334 416 I CB -0.621 37.245 38.000 -0.223 0.000 1.040 416 I HN 0.319 nan 8.210 nan 0.000 0.405 417 C N 0.840 120.034 119.300 -0.176 0.000 2.396 417 C HA -0.229 4.231 4.460 0.001 0.000 0.277 417 C C 3.143 178.072 174.990 -0.102 0.000 1.231 417 C CA 1.165 60.109 59.018 -0.123 0.000 1.775 417 C CB -1.362 26.302 27.740 -0.126 0.000 2.036 417 C HN 0.636 nan 8.230 nan 0.000 0.484 418 A N -0.406 122.341 122.820 -0.123 0.000 1.898 418 A HA 0.072 4.392 4.320 0.001 0.000 0.214 418 A C 2.086 179.636 177.584 -0.057 0.000 1.183 418 A CA 1.052 53.038 52.037 -0.085 0.000 0.622 418 A CB -0.413 18.535 19.000 -0.087 0.000 0.824 418 A HN 0.571 nan 8.150 nan 0.000 0.444 419 L N -1.155 120.020 121.223 -0.079 0.000 2.095 419 L HA -0.054 4.287 4.340 0.001 0.000 0.204 419 L C 1.673 178.567 176.870 0.041 0.000 1.080 419 L CA 0.582 55.419 54.840 -0.005 0.000 0.759 419 L CB -0.289 41.782 42.059 0.020 0.000 0.914 419 L HN 0.492 nan 8.230 nan 0.000 0.439 420 C N 2.039 121.360 119.300 0.034 0.000 2.865 420 C HA 0.279 4.739 4.460 0.001 0.000 0.545 420 C C 0.271 175.273 174.990 0.021 0.000 1.154 420 C CA -0.372 58.678 59.018 0.053 0.000 1.375 420 C CB -2.360 25.425 27.740 0.076 0.000 1.627 420 C HN 0.453 nan 8.230 nan 0.000 0.623 421 N N 1.656 120.367 118.700 0.018 0.000 2.578 421 N HA 0.138 4.878 4.740 0.001 0.000 0.282 421 N C -1.146 174.371 175.510 0.012 0.000 1.119 421 N CA -0.295 52.755 53.050 -0.000 0.000 0.948 421 N CB 0.923 39.398 38.487 -0.021 0.000 1.546 421 N HN 0.290 nan 8.380 nan 0.000 0.525 422 D N 1.868 122.277 120.400 0.015 0.000 2.690 422 D HA 0.218 4.858 4.640 0.001 0.000 0.236 422 D C -0.643 175.661 176.300 0.008 0.000 1.218 422 D CA 0.431 54.447 54.000 0.027 0.000 0.829 422 D CB 0.406 41.233 40.800 0.045 0.000 1.009 422 D HN 0.272 nan 8.370 nan 0.000 0.482 423 S N -0.807 114.887 115.700 -0.010 0.000 2.588 423 S HA 0.697 5.168 4.470 0.001 0.000 0.275 423 S C -0.173 174.407 174.600 -0.034 0.000 1.130 423 S CA -0.805 57.374 58.200 -0.035 0.000 0.855 423 S CB 2.345 65.505 63.200 -0.066 0.000 1.116 423 S HN 0.210 nan 8.310 nan 0.000 0.472 424 S N 0.548 116.219 115.700 -0.049 0.000 2.851 424 S HA 0.889 5.360 4.470 0.001 0.000 0.313 424 S C -1.684 172.881 174.600 -0.058 0.000 1.163 424 S CA -0.742 57.435 58.200 -0.040 0.000 0.850 424 S CB 1.086 64.267 63.200 -0.031 0.000 1.245 424 S HN 0.530 nan 8.310 nan 0.000 0.558 425 L N 1.188 122.400 121.223 -0.018 0.000 2.408 425 L HA 0.786 5.126 4.340 0.001 0.000 0.268 425 L C -1.739 175.171 176.870 0.067 0.000 0.986 425 L CA -0.124 54.728 54.840 0.021 0.000 0.820 425 L CB 1.810 43.914 42.059 0.074 0.000 1.303 425 L HN 0.961 nan 8.230 nan 0.000 0.411 426 D N 2.492 122.934 120.400 0.070 0.000 2.619 426 D HA 0.372 5.013 4.640 0.001 0.000 0.241 426 D C -1.638 174.713 176.300 0.086 0.000 1.087 426 D CA -0.172 53.862 54.000 0.056 0.000 0.851 426 D CB 1.489 42.271 40.800 -0.030 0.000 1.474 426 D HN 0.295 nan 8.370 nan 0.000 0.478 427 F N 3.335 123.208 119.950 -0.129 0.000 2.410 427 F HA 0.407 4.934 4.527 0.001 0.000 0.349 427 F C -0.098 175.573 175.800 -0.215 0.000 1.117 427 F CA -0.825 56.985 58.000 -0.317 0.000 1.104 427 F CB 0.832 39.511 39.000 -0.534 0.000 1.122 427 F HN 0.190 nan 8.300 nan 0.000 0.483 428 N N 5.227 123.347 118.700 -0.967 0.000 2.415 428 N HA 0.066 4.806 4.740 0.001 0.000 0.246 428 N C 0.705 175.627 175.510 -0.979 0.000 1.078 428 N CA 0.230 52.848 53.050 -0.719 0.000 0.942 428 N CB 0.655 38.857 38.487 -0.475 0.000 1.140 428 N HN 0.783 nan 8.380 nan 0.000 0.501 429 E N 1.333 121.243 120.200 -0.482 0.000 2.072 429 E HA -0.113 4.237 4.350 0.001 0.000 0.191 429 E C 1.009 177.502 176.600 -0.178 0.000 0.985 429 E CA 1.372 57.644 56.400 -0.213 0.000 0.801 429 E CB 0.238 29.924 29.700 -0.024 0.000 0.750 429 E HN 0.616 nan 8.360 nan 0.000 0.452 430 T N 1.408 115.857 114.554 -0.174 0.000 2.674 430 T HA -0.143 4.207 4.350 0.001 0.000 0.265 430 T C 1.714 176.335 174.700 -0.133 0.000 1.039 430 T CA 1.177 63.203 62.100 -0.123 0.000 1.150 430 T CB -0.106 68.697 68.868 -0.109 0.000 0.864 430 T HN 0.059 nan 8.240 nan 0.000 0.427 431 K N 0.399 120.684 120.400 -0.191 0.000 2.418 431 K HA 0.220 4.540 4.320 0.001 0.000 0.195 431 K C 1.281 177.779 176.600 -0.171 0.000 1.035 431 K CA 0.361 56.552 56.287 -0.160 0.000 1.003 431 K CB 0.118 32.525 32.500 -0.155 0.000 0.793 431 K HN 0.446 nan 8.250 nan 0.000 0.494 432 G N 2.085 110.715 108.800 -0.284 0.000 2.295 432 G HA2 -0.231 3.730 3.960 0.001 0.000 0.287 432 G HA3 -0.231 3.730 3.960 0.001 0.000 0.287 432 G C -0.402 174.409 174.900 -0.147 0.000 1.055 432 G CA 0.483 45.478 45.100 -0.175 0.000 0.922 432 G HN 0.236 nan 8.290 nan 0.000 0.503 433 V N -0.746 118.856 119.914 -0.520 0.000 3.087 433 V HA 0.714 4.834 4.120 0.001 0.000 0.306 433 V C -0.910 175.029 176.094 -0.259 0.000 1.187 433 V CA -1.638 60.579 62.300 -0.139 0.000 0.999 433 V CB 1.651 33.454 31.823 -0.034 0.000 1.049 433 V HN 0.351 nan 8.190 nan 0.000 0.431 434 Y N 3.853 124.268 120.300 0.193 0.000 2.404 434 Y HA 0.478 5.029 4.550 0.001 0.000 0.344 434 Y C 0.797 176.792 175.900 0.157 0.000 0.995 434 Y CA 0.035 58.285 58.100 0.250 0.000 1.201 434 Y CB 0.702 39.342 38.460 0.301 0.000 1.151 434 Y HN 0.562 nan 8.280 nan 0.000 0.517 435 E N 3.594 123.888 120.200 0.158 0.000 2.202 435 E HA 0.290 4.641 4.350 0.001 0.000 0.272 435 E C -0.687 175.900 176.600 -0.022 0.000 0.951 435 E CA -1.266 55.183 56.400 0.081 0.000 0.813 435 E CB 1.666 31.356 29.700 -0.017 0.000 1.151 435 E HN 0.516 nan 8.360 nan 0.000 0.398 436 K N -0.273 120.008 120.400 -0.197 0.000 2.138 436 K HA 0.440 4.761 4.320 0.001 0.000 0.251 436 K C -0.637 175.850 176.600 -0.187 0.000 1.015 436 K CA -0.619 55.456 56.287 -0.354 0.000 0.917 436 K CB 0.784 32.864 32.500 -0.700 0.000 1.021 436 K HN 0.148 nan 8.250 nan 0.000 0.485 437 V N 1.316 121.130 119.914 -0.166 0.000 2.447 437 V HA 0.558 4.679 4.120 0.001 0.000 0.292 437 V C 0.363 176.398 176.094 -0.098 0.000 1.021 437 V CA 0.101 62.335 62.300 -0.109 0.000 0.850 437 V CB 0.132 31.901 31.823 -0.091 0.000 1.005 437 V HN 1.215 nan 8.190 nan 0.000 0.426 438 G N 4.547 113.300 108.800 -0.079 0.000 2.445 438 G HA2 -0.092 3.868 3.960 0.001 0.000 0.212 438 G HA3 -0.092 3.868 3.960 0.001 0.000 0.212 438 G C -0.706 174.148 174.900 -0.076 0.000 1.217 438 G CA -0.614 44.450 45.100 -0.060 0.000 1.002 438 G HN 0.590 nan 8.290 nan 0.000 0.574 439 E N 0.857 121.014 120.200 -0.070 0.000 2.283 439 E HA 0.554 4.904 4.350 0.001 0.000 0.278 439 E C 1.425 177.971 176.600 -0.090 0.000 1.027 439 E CA 0.216 56.575 56.400 -0.068 0.000 0.843 439 E CB 1.302 30.960 29.700 -0.070 0.000 1.062 439 E HN 1.027 nan 8.360 nan 0.000 0.401 440 A N 3.274 126.061 122.820 -0.056 0.000 1.883 440 A HA -0.210 4.111 4.320 0.001 0.000 0.217 440 A C 2.120 179.720 177.584 0.027 0.000 1.186 440 A CA 2.294 54.328 52.037 -0.006 0.000 0.624 440 A CB -0.779 18.297 19.000 0.126 0.000 0.822 440 A HN 0.644 nan 8.150 nan 0.000 0.444 441 T N 0.042 114.595 114.554 -0.001 0.000 2.685 441 T HA -0.202 4.148 4.350 0.001 0.000 0.268 441 T C 1.756 176.434 174.700 -0.036 0.000 1.034 441 T CA 1.861 63.950 62.100 -0.018 0.000 1.149 441 T CB -0.313 68.513 68.868 -0.069 0.000 0.860 441 T HN 0.661 nan 8.240 nan 0.000 0.449 442 E N 0.216 120.375 120.200 -0.067 0.000 2.076 442 E HA -0.062 4.288 4.350 0.001 0.000 0.190 442 E C 2.551 179.113 176.600 -0.064 0.000 0.979 442 E CA 1.186 57.544 56.400 -0.070 0.000 0.807 442 E CB -0.227 29.426 29.700 -0.079 0.000 0.761 442 E HN 0.383 nan 8.360 nan 0.000 0.454 443 T N 1.342 115.834 114.554 -0.103 0.000 2.746 443 T HA -0.168 4.183 4.350 0.001 0.000 0.267 443 T C 2.023 176.711 174.700 -0.019 0.000 1.039 443 T CA 1.177 63.191 62.100 -0.143 0.000 1.142 443 T CB -0.279 68.344 68.868 -0.407 0.000 0.866 443 T HN 0.245 nan 8.240 nan 0.000 0.444 444 A N 1.531 124.401 122.820 0.083 0.000 1.915 444 A HA -0.151 4.169 4.320 0.001 0.000 0.220 444 A C 2.164 179.775 177.584 0.045 0.000 1.198 444 A CA 1.573 53.698 52.037 0.148 0.000 0.647 444 A CB -0.942 18.129 19.000 0.118 0.000 0.825 444 A HN 0.365 nan 8.150 nan 0.000 0.456 445 L N -0.414 120.809 121.223 -0.000 0.000 2.046 445 L HA -0.122 4.218 4.340 0.001 0.000 0.208 445 L C 2.764 179.610 176.870 -0.039 0.000 1.077 445 L CA 2.400 57.220 54.840 -0.033 0.000 0.747 445 L CB -1.483 40.547 42.059 -0.048 0.000 0.896 445 L HN 0.420 nan 8.230 nan 0.000 0.432 446 T N -1.132 113.402 114.554 -0.033 0.000 2.652 446 T HA -0.238 4.113 4.350 0.001 0.000 0.267 446 T C 1.887 176.569 174.700 -0.030 0.000 1.039 446 T CA 2.222 64.301 62.100 -0.035 0.000 1.153 446 T CB -0.517 68.330 68.868 -0.035 0.000 0.863 446 T HN 0.618 nan 8.240 nan 0.000 0.428 447 T N 1.503 116.056 114.554 -0.003 0.000 2.720 447 T HA -0.111 4.239 4.350 0.001 0.000 0.268 447 T C 1.990 176.661 174.700 -0.048 0.000 1.037 447 T CA 1.257 63.346 62.100 -0.017 0.000 1.144 447 T CB -0.699 68.190 68.868 0.034 0.000 0.864 447 T HN 0.170 nan 8.240 nan 0.000 0.444 448 L N 2.228 123.425 121.223 -0.044 0.000 2.013 448 L HA -0.020 4.320 4.340 0.001 0.000 0.212 448 L C 2.785 179.598 176.870 -0.094 0.000 1.073 448 L CA 2.305 57.103 54.840 -0.070 0.000 0.753 448 L CB -1.146 40.871 42.059 -0.070 0.000 0.890 448 L HN 0.380 nan 8.230 nan 0.000 0.432 449 V N -1.956 117.901 119.914 -0.094 0.000 2.626 449 V HA -0.152 3.968 4.120 0.001 0.000 0.252 449 V C 2.350 178.383 176.094 -0.101 0.000 1.067 449 V CA 1.734 63.967 62.300 -0.113 0.000 1.081 449 V CB -0.651 31.105 31.823 -0.111 0.000 0.686 449 V HN 0.518 nan 8.190 nan 0.000 0.468 450 E N 1.002 121.152 120.200 -0.083 0.000 2.072 450 E HA -0.146 4.205 4.350 0.001 0.000 0.191 450 E C 2.228 178.775 176.600 -0.088 0.000 0.985 450 E CA 1.610 57.963 56.400 -0.079 0.000 0.801 450 E CB -0.265 29.384 29.700 -0.084 0.000 0.750 450 E HN 0.709 nan 8.360 nan 0.000 0.452 451 K N 0.087 120.431 120.400 -0.094 0.000 2.057 451 K HA 0.018 4.338 4.320 0.001 0.000 0.206 451 K C 2.275 178.817 176.600 -0.095 0.000 1.050 451 K CA 1.001 57.233 56.287 -0.091 0.000 0.935 451 K CB -0.119 32.329 32.500 -0.087 0.000 0.715 451 K HN 0.082 nan 8.250 nan 0.000 0.439 452 M N 0.894 120.424 119.600 -0.117 0.000 2.213 452 M HA -0.129 4.351 4.480 0.001 0.000 0.263 452 M C 0.496 176.714 176.300 -0.137 0.000 1.062 452 M CA 0.554 55.767 55.300 -0.146 0.000 1.105 452 M CB -0.542 31.945 32.600 -0.187 0.000 1.385 452 M HN 0.139 nan 8.290 nan 0.000 0.417 453 N N 1.431 120.059 118.700 -0.120 0.000 2.759 453 N HA -0.143 4.597 4.740 0.001 0.000 0.277 453 N C 0.545 175.974 175.510 -0.135 0.000 0.982 453 N CA 0.598 53.587 53.050 -0.101 0.000 0.833 453 N CB -0.375 38.079 38.487 -0.055 0.000 0.927 453 N HN 0.372 nan 8.380 nan 0.000 0.573 454 V N -1.872 117.881 119.914 -0.267 0.000 2.759 454 V HA -0.035 4.085 4.120 0.001 0.000 0.256 454 V C 1.279 177.161 176.094 -0.353 0.000 1.080 454 V CA 1.323 63.393 62.300 -0.383 0.000 1.101 454 V CB -0.681 30.775 31.823 -0.612 0.000 0.698 454 V HN 0.240 nan 8.190 nan 0.000 0.477 455 F N 1.963 121.893 119.950 -0.033 0.000 2.819 455 F HA 0.492 5.020 4.527 0.001 0.000 0.294 455 F C 0.897 176.685 175.800 -0.021 0.000 1.166 455 F CA -1.631 56.354 58.000 -0.026 0.000 1.374 455 F CB -1.377 37.606 39.000 -0.029 0.000 0.956 455 F HN 0.203 nan 8.300 nan 0.000 0.509 456 N N 0.437 119.198 118.700 0.101 0.000 2.712 456 N HA -0.211 4.530 4.740 0.001 0.000 0.263 456 N C 0.079 175.627 175.510 0.063 0.000 0.954 456 N CA 0.954 54.040 53.050 0.059 0.000 0.812 456 N CB -1.478 37.039 38.487 0.050 0.000 0.912 456 N HN 0.200 nan 8.380 nan 0.000 0.551 457 T N 0.591 115.186 114.554 0.070 0.000 2.919 457 T HA 0.058 4.409 4.350 0.001 0.000 0.302 457 T C 0.858 175.574 174.700 0.027 0.000 1.031 457 T CA -0.260 61.873 62.100 0.055 0.000 1.127 457 T CB 1.251 70.159 68.868 0.066 0.000 0.952 457 T HN 0.154 nan 8.240 nan 0.000 0.540 458 E N 2.301 122.513 120.200 0.020 0.000 2.104 458 E HA 0.190 4.540 4.350 0.001 0.000 0.278 458 E C 0.660 177.263 176.600 0.006 0.000 1.127 458 E CA -0.279 56.127 56.400 0.010 0.000 0.897 458 E CB -0.029 29.676 29.700 0.008 0.000 1.043 458 E HN 0.451 nan 8.360 nan 0.000 0.410 459 V N 2.046 121.960 119.914 -0.000 0.000 3.612 459 V HA 0.179 4.299 4.120 0.001 0.000 0.268 459 V C 1.567 177.655 176.094 -0.011 0.000 1.365 459 V CA 0.166 62.462 62.300 -0.006 0.000 1.044 459 V CB -0.132 31.684 31.823 -0.012 0.000 0.820 459 V HN 0.494 nan 8.190 nan 0.000 0.444 460 R N 1.784 122.278 120.500 -0.010 0.000 2.211 460 R HA -0.008 4.333 4.340 0.001 0.000 0.240 460 R C 0.960 177.253 176.300 -0.011 0.000 1.144 460 R CA 1.561 57.654 56.100 -0.011 0.000 0.992 460 R CB -0.484 29.811 30.300 -0.008 0.000 0.869 460 R HN 0.510 nan 8.270 nan 0.000 0.462 461 N N 0.620 119.315 118.700 -0.009 0.000 2.320 461 N HA 0.160 4.901 4.740 0.001 0.000 0.237 461 N C -0.715 174.788 175.510 -0.011 0.000 1.129 461 N CA 0.208 53.253 53.050 -0.009 0.000 0.854 461 N CB 0.644 39.128 38.487 -0.005 0.000 1.083 461 N HN 0.120 nan 8.380 nan 0.000 0.504 462 L N 0.701 121.915 121.223 -0.015 0.000 2.346 462 L HA 0.380 4.721 4.340 0.001 0.000 0.276 462 L C 0.755 177.605 176.870 -0.033 0.000 1.006 462 L CA -0.880 53.950 54.840 -0.017 0.000 0.817 462 L CB 1.715 43.768 42.059 -0.010 0.000 1.272 462 L HN -0.003 nan 8.230 nan 0.000 0.421 463 S N 1.426 117.103 115.700 -0.038 0.000 2.566 463 S HA 0.080 4.550 4.470 0.001 0.000 0.280 463 S C 1.073 175.599 174.600 -0.124 0.000 1.343 463 S CA -0.586 57.573 58.200 -0.068 0.000 1.036 463 S CB 0.845 64.016 63.200 -0.049 0.000 0.866 463 S HN 0.553 nan 8.310 nan 0.000 0.526 464 K N 0.913 121.162 120.400 -0.252 0.000 2.127 464 K HA -0.130 4.190 4.320 0.001 0.000 0.208 464 K C 2.084 178.390 176.600 -0.490 0.000 1.047 464 K CA 1.465 57.431 56.287 -0.535 0.000 0.927 464 K CB -1.282 30.482 32.500 -1.228 0.000 0.716 464 K HN 0.645 nan 8.250 nan 0.000 0.450 465 V N 1.127 120.874 119.914 -0.279 0.000 2.427 465 V HA -0.210 3.911 4.120 0.001 0.000 0.248 465 V C 1.765 177.872 176.094 0.021 0.000 1.051 465 V CA 1.749 64.026 62.300 -0.039 0.000 1.048 465 V CB -0.131 31.726 31.823 0.057 0.000 0.666 465 V HN 0.319 nan 8.190 nan 0.000 0.456 466 E N -0.004 120.195 120.200 -0.001 0.000 2.112 466 E HA -0.169 4.181 4.350 0.001 0.000 0.190 466 E C 2.309 178.930 176.600 0.034 0.000 0.979 466 E CA 0.941 57.352 56.400 0.019 0.000 0.814 466 E CB -0.255 29.449 29.700 0.006 0.000 0.762 466 E HN 0.396 nan 8.360 nan 0.000 0.460 467 R N 1.482 121.999 120.500 0.028 0.000 2.249 467 R HA -0.101 4.240 4.340 0.001 0.000 0.230 467 R C 1.743 178.079 176.300 0.060 0.000 1.121 467 R CA 1.207 57.325 56.100 0.030 0.000 0.997 467 R CB -0.580 29.729 30.300 0.014 0.000 0.867 467 R HN 0.182 nan 8.270 nan 0.000 0.465 468 A N -0.163 122.749 122.820 0.154 0.000 1.930 468 A HA -0.049 4.271 4.320 0.001 0.000 0.217 468 A C 1.306 178.940 177.584 0.084 0.000 1.175 468 A CA 1.545 53.704 52.037 0.204 0.000 0.627 468 A CB -0.062 19.131 19.000 0.323 0.000 0.815 468 A HN 0.474 nan 8.150 nan 0.000 0.443 469 N N -1.622 117.113 118.700 0.057 0.000 2.184 469 N HA 0.261 5.002 4.740 0.001 0.000 0.234 469 N C 1.302 176.827 175.510 0.024 0.000 1.282 469 N CA 0.685 53.755 53.050 0.033 0.000 0.877 469 N CB 0.609 39.117 38.487 0.035 0.000 1.184 469 N HN 0.352 nan 8.380 nan 0.000 0.510 470 A N 0.920 123.753 122.820 0.021 0.000 1.859 470 A HA -0.217 4.104 4.320 0.001 0.000 0.218 470 A C 2.342 179.940 177.584 0.022 0.000 1.209 470 A CA 1.681 53.730 52.037 0.020 0.000 0.639 470 A CB -1.004 18.003 19.000 0.013 0.000 0.835 470 A HN 0.436 nan 8.150 nan 0.000 0.450 471 C N -0.504 118.803 119.300 0.011 0.000 2.435 471 C HA -0.037 4.423 4.460 0.001 0.000 0.279 471 C C 2.647 177.648 174.990 0.018 0.000 1.321 471 C CA 0.702 59.731 59.018 0.017 0.000 1.752 471 C CB -1.650 26.078 27.740 -0.019 0.000 1.959 471 C HN 0.616 nan 8.230 nan 0.000 0.500 472 N N 1.364 120.066 118.700 0.002 0.000 2.084 472 N HA -0.111 4.629 4.740 0.001 0.000 0.190 472 N C 1.923 177.447 175.510 0.023 0.000 1.030 472 N CA 1.565 54.616 53.050 0.001 0.000 0.849 472 N CB -0.355 38.130 38.487 -0.004 0.000 1.012 472 N HN 0.437 nan 8.380 nan 0.000 0.423 473 S N 0.665 116.384 115.700 0.031 0.000 2.370 473 S HA -0.077 4.393 4.470 0.001 0.000 0.226 473 S C 2.281 176.907 174.600 0.044 0.000 1.033 473 S CA 0.744 58.966 58.200 0.037 0.000 1.011 473 S CB -0.304 62.917 63.200 0.036 0.000 0.852 473 S HN 0.100 nan 8.310 nan 0.000 0.457 474 V N 2.166 122.115 119.914 0.058 0.000 2.282 474 V HA -0.222 3.899 4.120 0.001 0.000 0.249 474 V C 2.056 178.212 176.094 0.103 0.000 1.057 474 V CA 1.755 64.103 62.300 0.080 0.000 1.032 474 V CB -0.663 31.242 31.823 0.138 0.000 0.645 474 V HN 0.473 nan 8.190 nan 0.000 0.447 475 I N -0.687 119.967 120.570 0.139 0.000 2.315 475 I HA -0.223 3.947 4.170 0.001 0.000 0.248 475 I C 2.750 178.908 176.117 0.067 0.000 1.117 475 I CA 1.427 62.817 61.300 0.150 0.000 1.404 475 I CB -0.429 37.620 38.000 0.081 0.000 1.071 475 I HN 0.245 nan 8.210 nan 0.000 0.419 476 R N 0.653 121.180 120.500 0.044 0.000 2.081 476 R HA -0.192 4.148 4.340 0.001 0.000 0.235 476 R C 2.062 178.380 176.300 0.030 0.000 1.131 476 R CA 1.252 57.374 56.100 0.035 0.000 0.960 476 R CB -0.388 29.933 30.300 0.035 0.000 0.856 476 R HN 0.499 nan 8.270 nan 0.000 0.436 477 Q N 0.368 120.180 119.800 0.021 0.000 2.561 477 Q HA -0.088 4.253 4.340 0.001 0.000 0.217 477 Q C 1.662 177.655 176.000 -0.011 0.000 0.980 477 Q CA 0.627 56.432 55.803 0.004 0.000 0.927 477 Q CB 0.097 28.832 28.738 -0.005 0.000 0.980 477 Q HN 0.322 nan 8.270 nan 0.000 0.525 478 L N -0.785 120.435 121.223 -0.004 0.000 2.638 478 L HA 0.219 4.559 4.340 0.001 0.000 0.232 478 L C -0.347 176.534 176.870 0.017 0.000 1.099 478 L CA 0.133 54.961 54.840 -0.020 0.000 0.883 478 L CB 0.757 42.793 42.059 -0.039 0.000 1.136 478 L HN 0.065 nan 8.230 nan 0.000 0.492 479 M N 0.598 120.221 119.600 0.040 0.000 2.371 479 M HA 0.288 4.769 4.480 0.001 0.000 0.287 479 M C -1.126 175.206 176.300 0.053 0.000 1.149 479 M CA -0.392 54.947 55.300 0.065 0.000 0.929 479 M CB 2.022 34.703 32.600 0.135 0.000 1.683 479 M HN -0.164 nan 8.290 nan 0.000 0.470 480 K N 2.270 122.696 120.400 0.042 0.000 2.248 480 K HA 0.244 4.565 4.320 0.001 0.000 0.281 480 K C -0.156 176.469 176.600 0.040 0.000 1.054 480 K CA -0.268 56.043 56.287 0.039 0.000 0.903 480 K CB 0.983 33.504 32.500 0.036 0.000 1.077 480 K HN 0.525 nan 8.250 nan 0.000 0.474 481 K N 4.898 125.323 120.400 0.041 0.000 2.262 481 K HA -0.010 4.310 4.320 0.001 0.000 0.288 481 K C 0.306 176.926 176.600 0.034 0.000 1.090 481 K CA -0.210 56.093 56.287 0.027 0.000 0.918 481 K CB 0.592 33.113 32.500 0.034 0.000 1.139 481 K HN 0.656 nan 8.250 nan 0.000 0.462 482 E N 3.225 123.445 120.200 0.033 0.000 1.998 482 E HA -0.132 4.218 4.350 0.001 0.000 0.196 482 E C 0.629 177.329 176.600 0.168 0.000 1.003 482 E CA 1.470 57.938 56.400 0.114 0.000 0.829 482 E CB -0.194 29.627 29.700 0.202 0.000 0.777 482 E HN 0.553 nan 8.360 nan 0.000 0.460 483 F N -1.502 118.473 119.950 0.042 0.000 2.692 483 F HA 0.584 5.111 4.527 0.001 0.000 0.320 483 F C -0.472 175.341 175.800 0.021 0.000 1.123 483 F CA -1.274 56.728 58.000 0.002 0.000 0.961 483 F CB 1.540 40.502 39.000 -0.063 0.000 1.383 483 F HN -0.208 nan 8.300 nan 0.000 0.483 484 T N 0.915 115.584 114.554 0.191 0.000 2.841 484 T HA 0.540 4.890 4.350 0.001 0.000 0.285 484 T C -0.949 173.826 174.700 0.125 0.000 0.991 484 T CA -0.678 61.470 62.100 0.081 0.000 0.966 484 T CB 0.845 69.760 68.868 0.078 0.000 0.962 484 T HN 0.816 nan 8.240 nan 0.000 0.438 485 L N 5.569 126.801 121.223 0.015 0.000 2.395 485 L HA 0.255 4.595 4.340 0.001 0.000 0.268 485 L C 1.458 178.390 176.870 0.104 0.000 1.223 485 L CA -0.787 53.953 54.840 -0.166 0.000 1.093 485 L CB -0.300 41.507 42.059 -0.421 0.000 1.349 485 L HN 0.775 nan 8.230 nan 0.000 0.427 486 E N 2.401 122.731 120.200 0.216 0.000 2.485 486 E HA -0.195 4.155 4.350 0.001 0.000 0.266 486 E C -0.361 176.414 176.600 0.292 0.000 1.137 486 E CA -0.221 56.328 56.400 0.248 0.000 1.010 486 E CB 0.661 30.497 29.700 0.227 0.000 0.986 486 E HN 0.305 nan 8.360 nan 0.000 0.460 487 F N 1.267 121.296 119.950 0.132 0.000 2.538 487 F HA 0.116 4.644 4.527 0.001 0.000 0.371 487 F C 0.113 175.979 175.800 0.111 0.000 1.087 487 F CA 0.455 58.524 58.000 0.114 0.000 1.250 487 F CB 0.740 39.788 39.000 0.080 0.000 1.110 487 F HN 0.370 nan 8.300 nan 0.000 0.570 488 S N 5.832 121.044 115.700 -0.814 0.000 2.571 488 S HA 0.394 4.864 4.470 0.001 0.000 0.284 488 S C 0.351 174.454 174.600 -0.828 0.000 1.128 488 S CA -0.905 56.887 58.200 -0.681 0.000 0.970 488 S CB 1.405 64.454 63.200 -0.251 0.000 1.039 488 S HN 0.860 nan 8.310 nan 0.000 0.485 489 R N 1.555 121.690 120.500 -0.609 0.000 2.323 489 R HA 0.040 4.380 4.340 0.001 0.000 0.198 489 R C 0.666 176.895 176.300 -0.118 0.000 0.988 489 R CA 1.057 56.977 56.100 -0.299 0.000 1.041 489 R CB -0.036 30.197 30.300 -0.113 0.000 0.926 489 R HN 0.710 nan 8.270 nan 0.000 0.476 490 D N -0.732 119.589 120.400 -0.132 0.000 2.380 490 D HA -0.090 4.551 4.640 0.001 0.000 0.212 490 D C 1.684 177.967 176.300 -0.029 0.000 1.021 490 D CA 0.344 54.308 54.000 -0.060 0.000 0.884 490 D CB -0.051 40.703 40.800 -0.077 0.000 1.001 490 D HN 0.033 nan 8.370 nan 0.000 0.506 491 R N 0.765 121.236 120.500 -0.049 0.000 2.128 491 R HA 0.068 4.409 4.340 0.001 0.000 0.211 491 R C 0.202 176.532 176.300 0.050 0.000 1.067 491 R CA 0.330 56.434 56.100 0.007 0.000 1.010 491 R CB 0.182 30.492 30.300 0.016 0.000 0.922 491 R HN -0.125 nan 8.270 nan 0.000 0.457 492 K N 0.716 121.132 120.400 0.028 0.000 3.117 492 K HA -0.162 4.159 4.320 0.001 0.000 0.269 492 K C -0.706 176.080 176.600 0.310 0.000 1.098 492 K CA 0.917 57.316 56.287 0.187 0.000 0.785 492 K CB -1.767 30.838 32.500 0.175 0.000 1.242 492 K HN 0.454 nan 8.250 nan 0.000 0.491 493 S N -0.643 115.228 115.700 0.285 0.000 2.705 493 S HA 0.830 5.300 4.470 0.001 0.000 0.280 493 S C -0.772 174.044 174.600 0.361 0.000 1.174 493 S CA -0.852 57.527 58.200 0.299 0.000 0.823 493 S CB 2.981 66.290 63.200 0.181 0.000 1.162 493 S HN 0.405 nan 8.310 nan 0.000 0.487 494 M N 1.602 121.371 119.600 0.282 0.000 2.365 494 M HA 0.641 5.122 4.480 0.001 0.000 0.288 494 M C -1.492 174.901 176.300 0.155 0.000 1.152 494 M CA -0.214 55.241 55.300 0.258 0.000 0.948 494 M CB 1.906 34.694 32.600 0.314 0.000 1.729 494 M HN 1.158 nan 8.290 nan 0.000 0.487 495 S N 2.522 118.290 115.700 0.113 0.000 2.709 495 S HA 0.953 5.424 4.470 0.001 0.000 0.302 495 S C -1.454 173.154 174.600 0.013 0.000 1.127 495 S CA -0.781 57.455 58.200 0.059 0.000 0.905 495 S CB 2.266 65.490 63.200 0.040 0.000 1.151 495 S HN 0.833 nan 8.310 nan 0.000 0.510 496 V N 1.167 121.057 119.914 -0.039 0.000 2.777 496 V HA 0.465 4.586 4.120 0.001 0.000 0.306 496 V C -2.084 173.860 176.094 -0.250 0.000 1.112 496 V CA -0.650 61.592 62.300 -0.096 0.000 0.917 496 V CB 2.002 33.842 31.823 0.028 0.000 1.018 496 V HN 0.935 nan 8.190 nan 0.000 0.426 497 Y N 4.927 124.866 120.300 -0.601 0.000 2.341 497 Y HA 0.651 5.202 4.550 0.001 0.000 0.340 497 Y C 0.046 175.676 175.900 -0.449 0.000 0.997 497 Y CA -0.058 57.620 58.100 -0.704 0.000 1.149 497 Y CB 1.120 38.736 38.460 -1.406 0.000 1.171 497 Y HN 0.720 nan 8.280 nan 0.000 0.494 498 C N 3.143 122.133 119.300 -0.516 0.000 2.898 498 C HA 0.822 5.283 4.460 0.001 0.000 0.304 498 C C -0.821 174.015 174.990 -0.257 0.000 1.237 498 C CA -0.891 57.981 59.018 -0.243 0.000 1.529 498 C CB 1.339 29.029 27.740 -0.084 0.000 2.021 498 C HN 0.886 nan 8.230 nan 0.000 0.474 499 S N 1.114 116.768 115.700 -0.077 0.000 2.569 499 S HA 0.770 5.240 4.470 0.001 0.000 0.280 499 S C -3.233 171.365 174.600 -0.003 0.000 1.111 499 S CA -1.151 57.021 58.200 -0.047 0.000 0.887 499 S CB 1.653 64.858 63.200 0.009 0.000 1.095 499 S HN 0.620 nan 8.310 nan 0.000 0.476 500 P HA 0.191 nan 4.420 nan 0.000 0.269 500 P C 0.663 177.969 177.300 0.009 0.000 1.217 500 P CA -0.085 63.021 63.100 0.009 0.000 0.783 500 P CB 0.447 32.147 31.700 0.001 0.000 0.898 501 A N 3.757 126.580 122.820 0.005 0.000 1.839 501 A HA -0.064 4.257 4.320 0.001 0.000 0.213 501 A C 1.424 179.008 177.584 -0.001 0.000 1.274 501 A CA 1.218 53.256 52.037 0.003 0.000 0.608 501 A CB -0.933 18.064 19.000 -0.006 0.000 0.920 501 A HN 0.487 nan 8.150 nan 0.000 0.465 502 K N -0.908 119.486 120.400 -0.009 0.000 2.916 502 K HA 0.102 4.422 4.320 0.001 0.000 0.320 502 K C 1.745 178.342 176.600 -0.006 0.000 1.032 502 K CA 0.571 56.853 56.287 -0.009 0.000 1.074 502 K CB -0.333 32.157 32.500 -0.015 0.000 1.192 502 K HN 0.360 nan 8.250 nan 0.000 0.468 503 S N 0.135 115.830 115.700 -0.008 0.000 2.406 503 S HA -0.084 4.386 4.470 0.001 0.000 0.228 503 S C 1.418 176.013 174.600 -0.009 0.000 1.020 503 S CA 1.503 59.699 58.200 -0.007 0.000 0.965 503 S CB -0.098 63.098 63.200 -0.006 0.000 0.798 503 S HN 0.597 nan 8.310 nan 0.000 0.488 504 S N 0.440 116.131 115.700 -0.014 0.000 2.218 504 S HA 0.548 5.018 4.470 0.001 0.000 0.225 504 S C 0.124 174.711 174.600 -0.021 0.000 1.243 504 S CA -0.396 57.793 58.200 -0.019 0.000 1.057 504 S CB -0.308 62.877 63.200 -0.025 0.000 0.985 504 S HN 0.281 nan 8.310 nan 0.000 0.434 505 R N 0.454 120.935 120.500 -0.032 0.000 3.322 505 R HA 0.014 4.354 4.340 0.001 0.000 0.266 505 R C 0.248 176.537 176.300 -0.018 0.000 1.072 505 R CA 1.037 57.114 56.100 -0.039 0.000 0.715 505 R CB -2.574 27.705 30.300 -0.034 0.000 1.199 505 R HN 1.957 nan 8.270 nan 0.000 0.421 506 A N -1.748 121.063 122.820 -0.015 0.000 2.546 506 A HA -0.033 4.288 4.320 0.001 0.000 0.295 506 A C 0.893 178.479 177.584 0.003 0.000 1.455 506 A CA 0.897 52.935 52.037 0.002 0.000 0.730 506 A CB -1.555 17.459 19.000 0.022 0.000 1.111 506 A HN 1.504 nan 8.150 nan 0.000 0.411 507 A N 0.417 123.234 122.820 -0.004 0.000 3.046 507 A HA 0.477 4.797 4.320 0.001 0.000 0.259 507 A C 1.172 178.752 177.584 -0.008 0.000 1.843 507 A CA 0.657 52.691 52.037 -0.006 0.000 1.451 507 A CB -0.643 18.353 19.000 -0.007 0.000 1.025 507 A HN 1.534 nan 8.150 nan 0.000 0.625 508 V N 0.250 120.159 119.914 -0.008 0.000 3.633 508 V HA 0.376 4.497 4.120 0.001 0.000 0.283 508 V C 1.516 177.595 176.094 -0.025 0.000 1.305 508 V CA 0.908 63.200 62.300 -0.014 0.000 1.153 508 V CB -1.682 30.135 31.823 -0.009 0.000 0.950 508 V HN 1.260 nan 8.190 nan 0.000 0.432 509 G N 0.791 109.574 108.800 -0.028 0.000 2.443 509 G HA2 -0.171 3.789 3.960 0.001 0.000 0.209 509 G HA3 -0.171 3.789 3.960 0.001 0.000 0.209 509 G C -0.682 174.173 174.900 -0.075 0.000 1.176 509 G CA -0.359 44.718 45.100 -0.038 0.000 1.074 509 G HN 0.317 nan 8.290 nan 0.000 0.577 510 N N 1.245 119.876 118.700 -0.115 0.000 2.466 510 N HA 0.752 5.492 4.740 0.001 0.000 0.294 510 N C -0.329 174.961 175.510 -0.366 0.000 1.129 510 N CA -0.300 52.604 53.050 -0.244 0.000 0.931 510 N CB 1.510 39.855 38.487 -0.237 0.000 1.193 510 N HN 0.552 nan 8.380 nan 0.000 0.500 511 K N 0.966 121.009 120.400 -0.594 0.000 2.508 511 K HA 0.486 4.806 4.320 0.001 0.000 0.260 511 K C -0.796 175.191 176.600 -1.022 0.000 0.949 511 K CA -0.410 55.440 56.287 -0.727 0.000 0.834 511 K CB 2.255 34.306 32.500 -0.749 0.000 1.365 511 K HN 0.499 nan 8.250 nan 0.000 0.437 512 M N 2.004 121.095 119.600 -0.847 0.000 2.253 512 M HA 0.427 4.908 4.480 0.001 0.000 0.314 512 M C -1.160 174.765 176.300 -0.625 0.000 1.019 512 M CA -0.741 54.155 55.300 -0.674 0.000 0.932 512 M CB 1.024 33.436 32.600 -0.313 0.000 1.606 512 M HN 0.309 nan 8.290 nan 0.000 0.430 513 F N 2.998 122.880 119.950 -0.113 0.000 2.361 513 F HA 0.503 5.031 4.527 0.001 0.000 0.364 513 F C -0.042 175.730 175.800 -0.046 0.000 1.120 513 F CA -0.922 57.032 58.000 -0.077 0.000 1.102 513 F CB 0.670 39.621 39.000 -0.081 0.000 1.183 513 F HN 0.136 nan 8.300 nan 0.000 0.476 514 V N 3.854 123.847 119.914 0.132 0.000 2.612 514 V HA 0.629 4.750 4.120 0.001 0.000 0.301 514 V C -0.301 175.833 176.094 0.066 0.000 1.046 514 V CA -1.022 61.332 62.300 0.090 0.000 0.946 514 V CB 1.911 33.781 31.823 0.078 0.000 1.003 514 V HN 0.751 nan 8.190 nan 0.000 0.459 515 K N 2.178 122.620 120.400 0.070 0.000 2.543 515 K HA 0.811 5.132 4.320 0.001 0.000 0.255 515 K C -0.584 176.062 176.600 0.078 0.000 0.934 515 K CA -0.239 56.072 56.287 0.041 0.000 0.810 515 K CB 2.312 34.817 32.500 0.008 0.000 1.315 515 K HN 1.032 nan 8.250 nan 0.000 0.433 516 G N 0.874 109.715 108.800 0.069 0.000 2.348 516 G HA2 0.485 4.446 3.960 0.001 0.000 0.296 516 G HA3 0.485 4.446 3.960 0.001 0.000 0.296 516 G C -1.483 173.478 174.900 0.101 0.000 1.258 516 G CA -0.490 44.678 45.100 0.115 0.000 0.868 516 G HN 0.764 nan 8.290 nan 0.000 0.488 517 A N 0.662 123.562 122.820 0.134 0.000 2.548 517 A HA 0.542 4.862 4.320 0.001 0.000 0.247 517 A C -0.794 176.848 177.584 0.098 0.000 1.067 517 A CA 0.145 52.249 52.037 0.113 0.000 0.757 517 A CB 0.037 19.115 19.000 0.129 0.000 0.996 517 A HN 0.309 nan 8.150 nan 0.000 0.504 518 P HA -0.210 nan 4.420 nan 0.000 0.216 518 P C 1.016 178.370 177.300 0.090 0.000 1.154 518 P CA 1.788 64.943 63.100 0.092 0.000 0.865 518 P CB 0.213 31.959 31.700 0.077 0.000 0.789 519 E N -0.653 119.592 120.200 0.075 0.000 2.013 519 E HA -0.173 4.178 4.350 0.001 0.000 0.202 519 E C 2.371 179.013 176.600 0.069 0.000 1.018 519 E CA 1.834 58.272 56.400 0.063 0.000 0.834 519 E CB -1.631 28.104 29.700 0.059 0.000 0.770 519 E HN 0.179 nan 8.360 nan 0.000 0.459 520 G N 0.546 109.392 108.800 0.077 0.000 2.513 520 G HA2 -0.313 3.647 3.960 0.001 0.000 0.219 520 G HA3 -0.313 3.647 3.960 0.001 0.000 0.219 520 G C 1.774 176.725 174.900 0.085 0.000 1.160 520 G CA 1.390 46.537 45.100 0.078 0.000 0.767 520 G HN 0.181 nan 8.290 nan 0.000 0.571 521 V N 0.721 120.695 119.914 0.100 0.000 2.307 521 V HA -0.121 3.999 4.120 0.001 0.000 0.245 521 V C 2.777 178.948 176.094 0.129 0.000 1.045 521 V CA 1.505 63.872 62.300 0.113 0.000 1.024 521 V CB -0.387 31.505 31.823 0.115 0.000 0.651 521 V HN 0.283 nan 8.190 nan 0.000 0.449 522 I N 0.597 121.250 120.570 0.138 0.000 2.264 522 I HA -0.235 3.936 4.170 0.001 0.000 0.248 522 I C 2.049 178.204 176.117 0.065 0.000 1.111 522 I CA 1.583 62.957 61.300 0.123 0.000 1.382 522 I CB -0.711 37.328 38.000 0.065 0.000 1.060 522 I HN 0.309 nan 8.210 nan 0.000 0.418 523 D N 0.296 120.727 120.400 0.051 0.000 2.178 523 D HA -0.086 4.554 4.640 0.001 0.000 0.202 523 D C 1.818 178.135 176.300 0.028 0.000 0.974 523 D CA 0.872 54.889 54.000 0.029 0.000 0.841 523 D CB -0.192 40.625 40.800 0.029 0.000 0.953 523 D HN 0.356 nan 8.370 nan 0.000 0.478 524 R N -0.257 120.272 120.500 0.048 0.000 2.423 524 R HA 0.196 4.536 4.340 0.001 0.000 0.248 524 R C -0.246 176.080 176.300 0.044 0.000 1.019 524 R CA -0.094 56.033 56.100 0.044 0.000 1.119 524 R CB -0.153 30.184 30.300 0.060 0.000 1.176 524 R HN 0.069 nan 8.270 nan 0.000 0.526 525 C N 1.071 120.395 119.300 0.040 0.000 2.322 525 C HA 0.322 4.783 4.460 0.001 0.000 0.324 525 C C 1.086 176.035 174.990 -0.068 0.000 1.284 525 C CA -0.943 58.099 59.018 0.039 0.000 1.606 525 C CB 1.013 28.834 27.740 0.136 0.000 2.251 525 C HN 0.489 nan 8.230 nan 0.000 0.502 526 N N 0.722 119.287 118.700 -0.225 0.000 2.254 526 N HA 0.118 4.858 4.740 0.001 0.000 0.190 526 N C -0.983 174.145 175.510 -0.637 0.000 1.107 526 N CA 0.503 53.255 53.050 -0.498 0.000 0.869 526 N CB 0.487 38.531 38.487 -0.738 0.000 0.983 526 N HN 0.721 nan 8.380 nan 0.000 0.487 527 Y N -0.377 119.966 120.300 0.072 0.000 2.504 527 Y HA 0.396 4.946 4.550 0.001 0.000 0.344 527 Y C -0.001 175.973 175.900 0.123 0.000 1.023 527 Y CA -1.614 56.533 58.100 0.078 0.000 1.020 527 Y CB 1.230 39.732 38.460 0.069 0.000 1.282 527 Y HN -0.273 nan 8.280 nan 0.000 0.454 528 V N 0.325 120.404 119.914 0.275 0.000 2.612 528 V HA 0.732 4.852 4.120 0.001 0.000 0.301 528 V C -0.363 175.876 176.094 0.243 0.000 1.046 528 V CA -0.994 61.476 62.300 0.283 0.000 0.946 528 V CB 1.774 33.705 31.823 0.179 0.000 1.003 528 V HN 0.876 nan 8.190 nan 0.000 0.459 529 R N 3.060 123.708 120.500 0.246 0.000 2.368 529 R HA 0.724 5.064 4.340 0.001 0.000 0.302 529 R C -1.367 175.029 176.300 0.159 0.000 1.002 529 R CA -0.466 55.731 56.100 0.162 0.000 0.929 529 R CB 1.722 32.094 30.300 0.120 0.000 1.073 529 R HN 0.760 nan 8.270 nan 0.000 0.464 530 V N 6.016 126.002 119.914 0.120 0.000 2.325 530 V HA 0.443 4.563 4.120 0.001 0.000 0.280 530 V C 1.022 177.178 176.094 0.102 0.000 1.016 530 V CA 0.225 62.595 62.300 0.118 0.000 0.818 530 V CB 0.288 32.169 31.823 0.098 0.000 1.019 530 V HN 1.160 nan 8.190 nan 0.000 0.434 531 G N 5.314 114.185 108.800 0.118 0.000 2.601 531 G HA2 -0.368 3.593 3.960 0.001 0.000 0.306 531 G HA3 -0.368 3.593 3.960 0.001 0.000 0.306 531 G C 0.979 175.922 174.900 0.071 0.000 1.172 531 G CA 1.117 46.276 45.100 0.098 0.000 0.966 531 G HN 1.252 nan 8.290 nan 0.000 0.542 532 T N -1.974 112.612 114.554 0.053 0.000 3.054 532 T HA 0.490 4.840 4.350 0.001 0.000 0.255 532 T C 1.201 175.920 174.700 0.032 0.000 1.035 532 T CA 1.416 63.540 62.100 0.040 0.000 0.941 532 T CB 0.382 69.269 68.868 0.031 0.000 1.026 532 T HN 0.729 nan 8.240 nan 0.000 0.533 533 T N 2.278 116.856 114.554 0.040 0.000 2.726 533 T HA 0.417 4.768 4.350 0.001 0.000 0.294 533 T C -0.235 174.485 174.700 0.032 0.000 1.013 533 T CA -0.488 61.631 62.100 0.032 0.000 0.996 533 T CB 0.510 69.403 68.868 0.042 0.000 1.016 533 T HN 0.335 nan 8.240 nan 0.000 0.529 534 R N 0.737 121.247 120.500 0.017 0.000 2.535 534 R HA 0.572 4.913 4.340 0.001 0.000 0.274 534 R C -1.805 174.515 176.300 0.035 0.000 1.090 534 R CA -0.605 55.504 56.100 0.014 0.000 0.930 534 R CB 1.285 31.535 30.300 -0.084 0.000 1.223 534 R HN 0.517 nan 8.270 nan 0.000 0.441 535 V N 0.749 120.728 119.914 0.108 0.000 3.078 535 V HA 0.736 4.856 4.120 0.001 0.000 0.311 535 V C -2.761 173.472 176.094 0.232 0.000 1.138 535 V CA -2.364 60.017 62.300 0.135 0.000 1.007 535 V CB 2.130 34.010 31.823 0.094 0.000 1.045 535 V HN 0.663 nan 8.190 nan 0.000 0.432 536 P HA 0.189 nan 4.420 nan 0.000 0.268 536 P C -0.401 176.949 177.300 0.082 0.000 1.204 536 P CA -0.155 63.063 63.100 0.197 0.000 0.768 536 P CB 0.722 32.502 31.700 0.134 0.000 0.842 537 M N 4.132 123.744 119.600 0.020 0.000 2.269 537 M HA 0.161 4.642 4.480 0.001 0.000 0.350 537 M C 0.003 176.285 176.300 -0.029 0.000 1.429 537 M CA 0.952 56.242 55.300 -0.017 0.000 1.063 537 M CB -0.330 32.241 32.600 -0.049 0.000 1.841 537 M HN 0.497 nan 8.290 nan 0.000 0.455 538 T N 1.634 116.168 114.554 -0.033 0.000 2.907 538 T HA 0.710 5.061 4.350 0.001 0.000 0.290 538 T C 0.991 175.663 174.700 -0.047 0.000 1.066 538 T CA -0.555 61.526 62.100 -0.032 0.000 1.012 538 T CB 1.232 70.089 68.868 -0.018 0.000 1.184 538 T HN 0.696 nan 8.240 nan 0.000 0.522 539 G N 1.078 109.855 108.800 -0.038 0.000 2.553 539 G HA2 -0.113 3.847 3.960 0.001 0.000 0.218 539 G HA3 -0.113 3.847 3.960 0.001 0.000 0.218 539 G C -0.939 173.927 174.900 -0.057 0.000 1.195 539 G CA 1.136 46.210 45.100 -0.043 0.000 0.779 539 G HN 0.660 nan 8.290 nan 0.000 0.577 540 P HA -0.068 nan 4.420 nan 0.000 0.215 540 P C 2.185 179.420 177.300 -0.107 0.000 1.157 540 P CA 1.288 64.348 63.100 -0.066 0.000 0.874 540 P CB -0.180 31.493 31.700 -0.046 0.000 0.790 541 V N 0.367 120.214 119.914 -0.112 0.000 2.295 541 V HA -0.266 3.854 4.120 0.001 0.000 0.246 541 V C 2.503 178.484 176.094 -0.188 0.000 1.049 541 V CA 1.902 64.109 62.300 -0.155 0.000 1.024 541 V CB -1.116 30.631 31.823 -0.127 0.000 0.648 541 V HN 0.139 nan 8.190 nan 0.000 0.447 542 K N 0.149 120.457 120.400 -0.153 0.000 2.009 542 K HA -0.280 4.041 4.320 0.001 0.000 0.210 542 K C 2.251 178.767 176.600 -0.140 0.000 1.049 542 K CA 2.178 58.373 56.287 -0.154 0.000 0.929 542 K CB -0.205 32.235 32.500 -0.101 0.000 0.714 542 K HN 0.507 nan 8.250 nan 0.000 0.440 543 E N 0.250 120.382 120.200 -0.113 0.000 2.097 543 E HA -0.224 4.127 4.350 0.001 0.000 0.196 543 E C 2.030 178.553 176.600 -0.128 0.000 1.000 543 E CA 1.377 57.717 56.400 -0.100 0.000 0.804 543 E CB 0.143 29.795 29.700 -0.080 0.000 0.740 543 E HN 0.094 nan 8.360 nan 0.000 0.454 544 K N 0.484 120.785 120.400 -0.166 0.000 1.991 544 K HA -0.099 4.222 4.320 0.001 0.000 0.207 544 K C 2.068 178.512 176.600 -0.260 0.000 1.045 544 K CA 0.715 56.873 56.287 -0.216 0.000 0.937 544 K CB -0.361 31.988 32.500 -0.252 0.000 0.720 544 K HN 0.130 nan 8.250 nan 0.000 0.438 545 I N 2.068 122.478 120.570 -0.268 0.000 2.113 545 I HA -0.354 3.817 4.170 0.001 0.000 0.242 545 I C 2.505 178.559 176.117 -0.105 0.000 1.057 545 I CA 1.471 62.642 61.300 -0.215 0.000 1.314 545 I CB -1.184 36.587 38.000 -0.380 0.000 1.022 545 I HN 0.175 nan 8.210 nan 0.000 0.408 546 L N 0.561 121.715 121.223 -0.116 0.000 2.017 546 L HA -0.229 4.111 4.340 0.001 0.000 0.208 546 L C 2.829 179.648 176.870 -0.086 0.000 1.073 546 L CA 1.826 56.623 54.840 -0.072 0.000 0.745 546 L CB -0.669 41.353 42.059 -0.063 0.000 0.894 546 L HN 0.370 nan 8.230 nan 0.000 0.432 547 S N -0.584 115.046 115.700 -0.116 0.000 2.370 547 S HA -0.163 4.307 4.470 0.001 0.000 0.226 547 S C 1.863 176.374 174.600 -0.148 0.000 1.033 547 S CA 1.400 59.533 58.200 -0.112 0.000 1.011 547 S CB -0.983 62.149 63.200 -0.112 0.000 0.852 547 S HN 0.202 nan 8.310 nan 0.000 0.457 548 V N 1.944 121.707 119.914 -0.252 0.000 2.626 548 V HA -0.045 4.076 4.120 0.001 0.000 0.252 548 V C 2.333 178.156 176.094 -0.452 0.000 1.067 548 V CA 1.346 63.402 62.300 -0.408 0.000 1.081 548 V CB -0.862 30.542 31.823 -0.698 0.000 0.686 548 V HN 0.472 nan 8.190 nan 0.000 0.468 549 I N 0.004 120.449 120.570 -0.208 0.000 2.202 549 I HA -0.233 3.938 4.170 0.001 0.000 0.242 549 I C 2.580 178.681 176.117 -0.027 0.000 1.091 549 I CA 1.662 62.897 61.300 -0.109 0.000 1.368 549 I CB -0.365 37.629 38.000 -0.010 0.000 1.058 549 I HN 0.240 nan 8.210 nan 0.000 0.410 550 K N 1.027 121.410 120.400 -0.028 0.000 2.097 550 K HA -0.262 4.059 4.320 0.001 0.000 0.206 550 K C 2.082 178.713 176.600 0.051 0.000 1.049 550 K CA 1.654 57.949 56.287 0.013 0.000 0.933 550 K CB -0.061 32.435 32.500 -0.007 0.000 0.717 550 K HN 0.319 nan 8.250 nan 0.000 0.442 551 E N -0.218 120.008 120.200 0.043 0.000 2.017 551 E HA -0.200 4.150 4.350 0.001 0.000 0.193 551 E C 1.686 178.456 176.600 0.283 0.000 0.997 551 E CA 1.379 57.859 56.400 0.133 0.000 0.804 551 E CB -0.191 29.588 29.700 0.133 0.000 0.757 551 E HN 0.386 nan 8.360 nan 0.000 0.448 552 W N 0.508 121.840 121.300 0.054 0.000 2.325 552 W HA -0.047 4.613 4.660 0.001 0.000 0.299 552 W C 2.335 178.879 176.519 0.041 0.000 1.215 552 W CA 1.186 58.563 57.345 0.054 0.000 1.244 552 W CB -1.322 28.189 29.460 0.084 0.000 1.140 552 W HN 0.287 nan 8.180 nan 0.000 0.523 553 G N -0.299 108.660 108.800 0.266 0.000 2.424 553 G HA2 -0.214 3.747 3.960 0.001 0.000 0.214 553 G HA3 -0.214 3.747 3.960 0.001 0.000 0.214 553 G C 1.464 176.431 174.900 0.113 0.000 1.202 553 G CA 2.125 47.321 45.100 0.161 0.000 0.793 553 G HN 0.291 nan 8.290 nan 0.000 0.534 554 T N -0.695 113.917 114.554 0.098 0.000 3.085 554 T HA 0.320 4.671 4.350 0.001 0.000 0.263 554 T C 1.595 176.336 174.700 0.068 0.000 1.127 554 T CA 0.619 62.761 62.100 0.070 0.000 1.103 554 T CB -0.132 68.767 68.868 0.051 0.000 0.921 554 T HN 0.345 nan 8.240 nan 0.000 0.510 555 G N 1.968 110.823 108.800 0.093 0.000 2.593 555 G HA2 0.214 4.175 3.960 0.001 0.000 0.279 555 G HA3 0.214 4.175 3.960 0.001 0.000 0.279 555 G C 1.026 175.953 174.900 0.045 0.000 1.329 555 G CA -0.174 44.972 45.100 0.076 0.000 1.036 555 G HN 0.587 nan 8.290 nan 0.000 0.555 556 R N -1.307 119.208 120.500 0.026 0.000 2.092 556 R HA -0.005 4.336 4.340 0.001 0.000 0.231 556 R C 1.131 177.429 176.300 -0.002 0.000 1.119 556 R CA 1.696 57.800 56.100 0.007 0.000 0.970 556 R CB -0.197 30.101 30.300 -0.004 0.000 0.864 556 R HN 0.353 nan 8.270 nan 0.000 0.440 557 D N 1.262 121.656 120.400 -0.010 0.000 2.347 557 D HA -0.052 4.588 4.640 0.001 0.000 0.213 557 D C 0.032 176.333 176.300 0.000 0.000 0.985 557 D CA 1.542 55.529 54.000 -0.023 0.000 0.879 557 D CB 0.135 40.900 40.800 -0.060 0.000 0.919 557 D HN 0.475 nan 8.370 nan 0.000 0.526 558 T N -0.840 113.731 114.554 0.027 0.000 3.549 558 T HA -0.260 4.091 4.350 0.001 0.000 0.398 558 T C 0.367 175.098 174.700 0.052 0.000 0.766 558 T CA 0.082 62.209 62.100 0.045 0.000 2.007 558 T CB -2.536 66.348 68.868 0.028 0.000 1.727 558 T HN 0.208 nan 8.240 nan 0.000 0.693 559 L N 0.243 121.513 121.223 0.079 0.000 2.426 559 L HA 0.356 4.696 4.340 0.001 0.000 0.271 559 L C 1.303 178.237 176.870 0.107 0.000 1.169 559 L CA -0.634 54.257 54.840 0.085 0.000 0.836 559 L CB 0.552 42.680 42.059 0.115 0.000 1.112 559 L HN 0.442 nan 8.230 nan 0.000 0.465 560 R N 1.956 122.504 120.500 0.080 0.000 2.216 560 R HA 0.320 4.660 4.340 0.001 0.000 0.332 560 R C -1.170 175.184 176.300 0.091 0.000 1.056 560 R CA -0.388 55.757 56.100 0.074 0.000 0.901 560 R CB 0.561 30.890 30.300 0.047 0.000 1.039 560 R HN 0.623 nan 8.270 nan 0.000 0.456 561 C N 4.828 124.186 119.300 0.097 0.000 2.391 561 C HA 0.640 5.100 4.460 0.001 0.000 0.339 561 C C -0.879 174.147 174.990 0.059 0.000 1.205 561 C CA -0.661 58.417 59.018 0.100 0.000 1.937 561 C CB 1.097 28.906 27.740 0.116 0.000 2.341 561 C HN 0.749 nan 8.230 nan 0.000 0.516 562 L N 2.419 123.662 121.223 0.033 0.000 2.493 562 L HA 0.713 5.053 4.340 0.001 0.000 0.265 562 L C -0.123 176.730 176.870 -0.028 0.000 0.954 562 L CA 0.081 54.926 54.840 0.008 0.000 0.844 562 L CB 1.541 43.594 42.059 -0.010 0.000 1.302 562 L HN 0.832 nan 8.230 nan 0.000 0.405 563 A N 4.455 127.271 122.820 -0.007 0.000 2.303 563 A HA 0.876 5.196 4.320 0.001 0.000 0.317 563 A C -1.340 176.183 177.584 -0.101 0.000 1.149 563 A CA -0.379 51.638 52.037 -0.034 0.000 0.822 563 A CB 0.768 19.822 19.000 0.090 0.000 1.131 563 A HN 0.585 nan 8.150 nan 0.000 0.493 564 L N 1.179 122.249 121.223 -0.255 0.000 2.376 564 L HA 0.739 5.080 4.340 0.001 0.000 0.275 564 L C 0.225 176.921 176.870 -0.291 0.000 0.987 564 L CA 0.202 54.903 54.840 -0.232 0.000 0.828 564 L CB 1.854 43.765 42.059 -0.247 0.000 1.249 564 L HN 0.911 nan 8.230 nan 0.000 0.409 565 A N 1.366 124.120 122.820 -0.109 0.000 2.569 565 A HA 0.979 5.299 4.320 0.001 0.000 0.290 565 A C -0.676 176.944 177.584 0.060 0.000 1.136 565 A CA -0.353 51.656 52.037 -0.045 0.000 0.710 565 A CB 2.090 21.106 19.000 0.027 0.000 1.303 565 A HN 0.578 nan 8.150 nan 0.000 0.413 566 T N -1.268 113.340 114.554 0.090 0.000 2.909 566 T HA 0.645 4.995 4.350 0.001 0.000 0.299 566 T C -0.723 174.002 174.700 0.041 0.000 1.073 566 T CA -0.686 61.478 62.100 0.106 0.000 0.999 566 T CB 1.568 70.576 68.868 0.234 0.000 1.098 566 T HN 0.739 nan 8.240 nan 0.000 0.477 567 R N 1.919 122.393 120.500 -0.042 0.000 2.205 567 R HA 0.199 4.540 4.340 0.001 0.000 0.342 567 R C 0.017 176.271 176.300 -0.077 0.000 1.058 567 R CA -0.468 55.620 56.100 -0.021 0.000 0.904 567 R CB 0.379 30.663 30.300 -0.027 0.000 1.089 567 R HN 0.709 nan 8.270 nan 0.000 0.471 568 D N 1.650 122.041 120.400 -0.014 0.000 2.178 568 D HA -0.068 4.572 4.640 0.001 0.000 0.201 568 D C -0.153 176.105 176.300 -0.070 0.000 0.980 568 D CA 1.524 55.497 54.000 -0.045 0.000 0.842 568 D CB 0.474 41.255 40.800 -0.032 0.000 0.948 568 D HN 0.432 nan 8.370 nan 0.000 0.472 569 T N 3.092 117.624 114.554 -0.036 0.000 3.141 569 T HA 0.257 4.607 4.350 0.001 0.000 0.377 569 T C -2.430 172.262 174.700 -0.012 0.000 1.258 569 T CA -1.278 60.804 62.100 -0.030 0.000 1.263 569 T CB 2.488 71.358 68.868 0.004 0.000 1.066 569 T HN -0.030 nan 8.240 nan 0.000 0.546 570 P HA 0.313 nan 4.420 nan 0.000 0.274 570 P C -2.614 174.737 177.300 0.085 0.000 1.260 570 P CA -1.246 61.862 63.100 0.014 0.000 0.793 570 P CB -0.269 31.395 31.700 -0.060 0.000 1.048 571 P HA 0.170 nan 4.420 nan 0.000 0.273 571 P C -0.221 177.130 177.300 0.086 0.000 1.250 571 P CA -0.081 63.062 63.100 0.071 0.000 0.793 571 P CB 0.295 32.000 31.700 0.008 0.000 1.011 572 K N 1.000 121.421 120.400 0.035 0.000 2.350 572 K HA 0.092 4.412 4.320 0.001 0.000 0.279 572 K C 1.508 178.078 176.600 -0.049 0.000 1.027 572 K CA 0.009 56.313 56.287 0.027 0.000 0.969 572 K CB 0.349 32.855 32.500 0.009 0.000 0.954 572 K HN 0.310 nan 8.250 nan 0.000 0.474 573 R N 2.071 122.530 120.500 -0.068 0.000 2.153 573 R HA -0.270 4.070 4.340 0.001 0.000 0.252 573 R C 0.972 177.128 176.300 -0.241 0.000 1.158 573 R CA 2.068 58.025 56.100 -0.239 0.000 0.975 573 R CB 0.136 30.330 30.300 -0.178 0.000 0.871 573 R HN 0.592 nan 8.270 nan 0.000 0.450 574 E N -0.109 120.004 120.200 -0.145 0.000 2.158 574 E HA -0.114 4.236 4.350 0.001 0.000 0.191 574 E C 1.417 177.946 176.600 -0.118 0.000 0.982 574 E CA 0.844 57.169 56.400 -0.125 0.000 0.823 574 E CB 0.045 29.701 29.700 -0.073 0.000 0.766 574 E HN 0.301 nan 8.360 nan 0.000 0.468 575 E N 0.179 120.317 120.200 -0.103 0.000 2.515 575 E HA -0.052 4.299 4.350 0.001 0.000 0.201 575 E C 0.107 176.634 176.600 -0.123 0.000 1.071 575 E CA 0.573 56.930 56.400 -0.072 0.000 0.880 575 E CB -0.219 29.460 29.700 -0.034 0.000 0.828 575 E HN 0.383 nan 8.360 nan 0.000 0.540 576 M N 1.079 120.527 119.600 -0.253 0.000 2.114 576 M HA 0.234 4.714 4.480 0.001 0.000 0.332 576 M C -0.723 175.473 176.300 -0.173 0.000 1.014 576 M CA -0.643 54.401 55.300 -0.427 0.000 0.956 576 M CB 2.406 34.535 32.600 -0.786 0.000 1.551 576 M HN -0.329 nan 8.290 nan 0.000 0.427 577 V N 5.683 125.664 119.914 0.111 0.000 2.368 577 V HA 0.208 4.328 4.120 0.001 0.000 0.266 577 V C 0.561 176.804 176.094 0.247 0.000 1.045 577 V CA -0.313 62.063 62.300 0.126 0.000 0.899 577 V CB 0.672 32.579 31.823 0.139 0.000 1.006 577 V HN 0.791 nan 8.190 nan 0.000 0.470 578 L N 4.200 125.494 121.223 0.119 0.000 2.928 578 L HA 0.249 4.589 4.340 0.001 0.000 0.236 578 L C 0.848 177.859 176.870 0.234 0.000 1.290 578 L CA -0.004 54.978 54.840 0.236 0.000 1.099 578 L CB -0.519 41.515 42.059 -0.043 0.000 1.437 578 L HN 0.798 nan 8.230 nan 0.000 0.493 579 D N -2.986 117.509 120.400 0.159 0.000 2.455 579 D HA -0.013 4.628 4.640 0.001 0.000 0.228 579 D C 0.490 176.771 176.300 -0.032 0.000 1.070 579 D CA -0.072 53.968 54.000 0.066 0.000 0.881 579 D CB 0.372 41.196 40.800 0.039 0.000 1.087 579 D HN -0.075 nan 8.370 nan 0.000 0.498 580 D N 0.517 120.867 120.400 -0.083 0.000 2.441 580 D HA 0.116 4.757 4.640 0.001 0.000 0.231 580 D C 0.807 176.718 176.300 -0.648 0.000 1.073 580 D CA -0.144 53.711 54.000 -0.242 0.000 0.850 580 D CB 1.586 42.303 40.800 -0.140 0.000 1.062 580 D HN 0.073 nan 8.370 nan 0.000 0.524 581 S N 1.126 116.310 115.700 -0.859 0.000 2.584 581 S HA -0.156 4.315 4.470 0.001 0.000 0.240 581 S C 1.648 175.774 174.600 -0.790 0.000 0.975 581 S CA 0.842 58.181 58.200 -1.436 0.000 0.949 581 S CB -0.178 62.583 63.200 -0.732 0.000 0.761 581 S HN 0.358 nan 8.310 nan 0.000 0.536 582 S N 1.558 116.971 115.700 -0.478 0.000 2.446 582 S HA 0.150 4.620 4.470 0.001 0.000 0.225 582 S C 1.802 176.267 174.600 -0.224 0.000 1.016 582 S CA -0.254 57.786 58.200 -0.266 0.000 0.943 582 S CB -0.358 62.731 63.200 -0.184 0.000 0.786 582 S HN 0.486 nan 8.310 nan 0.000 0.508 583 R N 0.004 120.347 120.500 -0.262 0.000 2.276 583 R HA 0.256 4.596 4.340 0.001 0.000 0.203 583 R C 1.545 177.641 176.300 -0.341 0.000 1.017 583 R CA 0.506 56.443 56.100 -0.272 0.000 1.010 583 R CB -0.343 29.825 30.300 -0.220 0.000 0.900 583 R HN 0.540 nan 8.270 nan 0.000 0.469 584 F N 0.636 120.406 119.950 -0.300 0.000 2.126 584 F HA -0.293 4.234 4.527 0.001 0.000 0.299 584 F C 2.623 178.357 175.800 -0.109 0.000 1.096 584 F CA 0.589 58.503 58.000 -0.144 0.000 1.255 584 F CB -0.240 38.774 39.000 0.023 0.000 0.997 584 F HN 0.062 nan 8.300 nan 0.000 0.479 585 M N 0.580 120.233 119.600 0.089 0.000 2.144 585 M HA -0.266 4.214 4.480 0.001 0.000 0.260 585 M C 2.203 178.520 176.300 0.028 0.000 1.067 585 M CA 1.836 57.169 55.300 0.055 0.000 1.095 585 M CB -0.288 32.323 32.600 0.019 0.000 1.365 585 M HN 0.119 nan 8.290 nan 0.000 0.406 586 E N -0.689 119.473 120.200 -0.062 0.000 2.107 586 E HA -0.181 4.169 4.350 0.001 0.000 0.191 586 E C 1.480 178.144 176.600 0.107 0.000 0.982 586 E CA 1.040 57.426 56.400 -0.022 0.000 0.809 586 E CB -0.117 29.536 29.700 -0.077 0.000 0.756 586 E HN 0.641 nan 8.360 nan 0.000 0.459 587 Y N 1.039 121.411 120.300 0.120 0.000 2.569 587 Y HA -0.012 4.538 4.550 0.001 0.000 0.293 587 Y C 0.648 176.601 175.900 0.087 0.000 1.144 587 Y CA 0.615 58.779 58.100 0.108 0.000 1.321 587 Y CB -0.140 38.390 38.460 0.116 0.000 0.982 587 Y HN 0.043 nan 8.280 nan 0.000 0.558 588 E N 0.172 120.496 120.200 0.207 0.000 2.674 588 E HA 0.250 4.600 4.350 0.001 0.000 0.240 588 E C -0.347 176.319 176.600 0.110 0.000 1.213 588 E CA -0.092 56.393 56.400 0.141 0.000 1.357 588 E CB 0.282 30.060 29.700 0.130 0.000 1.467 588 E HN 0.065 nan 8.360 nan 0.000 0.448 589 T N -0.517 114.103 114.554 0.111 0.000 2.887 589 T HA 0.158 4.508 4.350 0.001 0.000 0.292 589 T C -0.320 174.430 174.700 0.083 0.000 1.087 589 T CA -0.808 61.343 62.100 0.084 0.000 1.009 589 T CB 1.241 70.155 68.868 0.078 0.000 1.203 589 T HN 0.176 nan 8.240 nan 0.000 0.518 590 D N 0.686 121.119 120.400 0.054 0.000 2.697 590 D HA -0.134 4.507 4.640 0.001 0.000 0.238 590 D C -0.619 175.753 176.300 0.119 0.000 1.152 590 D CA 0.457 54.490 54.000 0.056 0.000 0.666 590 D CB -1.339 39.523 40.800 0.104 0.000 1.037 590 D HN 0.387 nan 8.370 nan 0.000 0.423 591 L N -0.334 120.947 121.223 0.095 0.000 2.421 591 L HA 0.491 4.832 4.340 0.001 0.000 0.263 591 L C 1.120 178.108 176.870 0.197 0.000 1.122 591 L CA -0.417 54.502 54.840 0.131 0.000 0.804 591 L CB 1.376 43.500 42.059 0.108 0.000 1.150 591 L HN -0.058 nan 8.230 nan 0.000 0.457 592 T N 1.438 116.117 114.554 0.209 0.000 2.770 592 T HA 0.299 4.649 4.350 0.001 0.000 0.283 592 T C -0.545 174.275 174.700 0.200 0.000 0.988 592 T CA -0.292 61.961 62.100 0.254 0.000 0.957 592 T CB 0.529 69.529 68.868 0.220 0.000 0.930 592 T HN 0.233 nan 8.240 nan 0.000 0.443 593 F N 4.525 124.538 119.950 0.106 0.000 2.504 593 F HA 0.308 4.836 4.527 0.001 0.000 0.369 593 F C 0.752 176.596 175.800 0.074 0.000 1.082 593 F CA 0.060 58.105 58.000 0.075 0.000 1.216 593 F CB 0.523 39.563 39.000 0.067 0.000 1.108 593 F HN 0.347 nan 8.300 nan 0.000 0.554 594 V N 4.667 124.148 119.914 -0.721 0.000 2.743 594 V HA 0.495 4.616 4.120 0.001 0.000 0.237 594 V C 1.048 176.773 176.094 -0.617 0.000 1.113 594 V CA 0.727 62.764 62.300 -0.439 0.000 1.141 594 V CB -0.121 31.548 31.823 -0.256 0.000 0.873 594 V HN 1.014 nan 8.190 nan 0.000 0.486 595 G N -0.890 107.265 108.800 -1.074 0.000 2.489 595 G HA2 0.537 4.498 3.960 0.001 0.000 0.305 595 G HA3 0.537 4.498 3.960 0.001 0.000 0.305 595 G C -2.208 172.296 174.900 -0.661 0.000 1.311 595 G CA -0.183 44.513 45.100 -0.673 0.000 0.813 595 G HN -0.003 nan 8.290 nan 0.000 0.480 596 V N -0.226 119.288 119.914 -0.666 0.000 2.876 596 V HA 0.784 4.904 4.120 0.001 0.000 0.312 596 V C -0.176 175.732 176.094 -0.311 0.000 1.085 596 V CA -0.638 61.328 62.300 -0.557 0.000 0.945 596 V CB 1.796 33.108 31.823 -0.851 0.000 1.017 596 V HN 1.448 nan 8.190 nan 0.000 0.428 597 V N 0.536 120.394 119.914 -0.093 0.000 2.735 597 V HA 1.036 5.156 4.120 0.001 0.000 0.310 597 V C 0.053 176.251 176.094 0.173 0.000 1.061 597 V CA -0.375 61.964 62.300 0.066 0.000 0.913 597 V CB 1.705 33.526 31.823 -0.003 0.000 1.005 597 V HN 1.038 nan 8.190 nan 0.000 0.428 598 G N 5.806 114.776 108.800 0.284 0.000 2.487 598 G HA2 0.658 4.619 3.960 0.001 0.000 0.314 598 G HA3 0.658 4.619 3.960 0.001 0.000 0.314 598 G C -0.546 174.396 174.900 0.071 0.000 1.267 598 G CA -0.913 44.343 45.100 0.260 0.000 0.937 598 G HN 1.088 nan 8.290 nan 0.000 0.481 599 M N 2.318 121.951 119.600 0.055 0.000 2.508 599 M HA 0.741 5.222 4.480 0.001 0.000 0.327 599 M C -0.516 175.784 176.300 -0.000 0.000 1.160 599 M CA -1.086 54.220 55.300 0.010 0.000 0.980 599 M CB 2.082 34.692 32.600 0.016 0.000 1.693 599 M HN 0.386 nan 8.290 nan 0.000 0.452 600 L N 0.063 121.270 121.223 -0.027 0.000 2.322 600 L HA 0.836 5.177 4.340 0.001 0.000 0.279 600 L C -1.265 175.588 176.870 -0.028 0.000 1.036 600 L CA -0.216 54.605 54.840 -0.032 0.000 0.807 600 L CB 1.476 43.503 42.059 -0.054 0.000 1.226 600 L HN 0.790 nan 8.230 nan 0.000 0.433 601 D N 3.864 124.252 120.400 -0.019 0.000 2.336 601 D HA 0.426 5.066 4.640 0.001 0.000 0.248 601 D C -2.741 173.547 176.300 -0.021 0.000 1.326 601 D CA -1.209 52.782 54.000 -0.015 0.000 0.973 601 D CB 1.653 42.455 40.800 0.003 0.000 1.255 601 D HN 0.438 nan 8.370 nan 0.000 0.558 602 P HA 0.305 nan 4.420 nan 0.000 0.275 602 P C -2.649 174.631 177.300 -0.033 0.000 1.227 602 P CA -1.435 61.646 63.100 -0.033 0.000 0.781 602 P CB 0.628 32.306 31.700 -0.037 0.000 0.906 603 P HA 0.184 nan 4.420 nan 0.000 0.274 603 P C 0.075 177.342 177.300 -0.056 0.000 1.231 603 P CA -0.192 62.873 63.100 -0.058 0.000 0.790 603 P CB 0.814 32.469 31.700 -0.075 0.000 0.951 604 R N 1.369 121.830 120.500 -0.064 0.000 2.698 604 R HA 0.004 4.344 4.340 0.001 0.000 0.266 604 R C 1.783 178.056 176.300 -0.045 0.000 1.026 604 R CA 0.151 56.226 56.100 -0.042 0.000 1.102 604 R CB 0.186 30.471 30.300 -0.025 0.000 0.978 604 R HN 0.466 nan 8.270 nan 0.000 0.436 605 K N 1.901 122.290 120.400 -0.018 0.000 2.032 605 K HA -0.191 4.130 4.320 0.001 0.000 0.209 605 K C 1.607 178.200 176.600 -0.011 0.000 1.048 605 K CA 1.748 58.027 56.287 -0.013 0.000 0.927 605 K CB 0.059 32.559 32.500 0.000 0.000 0.712 605 K HN 0.635 nan 8.250 nan 0.000 0.441 606 E N 1.192 121.399 120.200 0.010 0.000 2.502 606 E HA -0.052 4.298 4.350 0.001 0.000 0.194 606 E C 1.733 178.345 176.600 0.020 0.000 1.062 606 E CA 0.480 56.902 56.400 0.036 0.000 0.867 606 E CB -0.158 29.592 29.700 0.083 0.000 0.888 606 E HN 0.055 nan 8.360 nan 0.000 0.510 607 V N 1.698 121.563 119.914 -0.083 0.000 2.307 607 V HA -0.267 3.854 4.120 0.001 0.000 0.245 607 V C 2.695 178.695 176.094 -0.156 0.000 1.045 607 V CA 2.124 64.268 62.300 -0.260 0.000 1.024 607 V CB -0.702 30.857 31.823 -0.441 0.000 0.651 607 V HN 0.271 nan 8.190 nan 0.000 0.449 608 M N 0.922 120.462 119.600 -0.100 0.000 2.065 608 M HA -0.102 4.378 4.480 0.001 0.000 0.259 608 M C 2.124 178.409 176.300 -0.026 0.000 1.071 608 M CA 2.628 57.889 55.300 -0.065 0.000 1.109 608 M CB -0.854 31.718 32.600 -0.047 0.000 1.313 608 M HN 0.313 nan 8.290 nan 0.000 0.408 609 G N -0.588 108.209 108.800 -0.006 0.000 2.491 609 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 609 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 609 G C 1.433 176.355 174.900 0.036 0.000 1.180 609 G CA 1.224 46.333 45.100 0.014 0.000 0.774 609 G HN 0.570 nan 8.290 nan 0.000 0.562 610 S N 0.584 116.326 115.700 0.069 0.000 2.380 610 S HA -0.140 4.330 4.470 0.001 0.000 0.229 610 S C 2.274 176.945 174.600 0.117 0.000 1.043 610 S CA 1.324 59.603 58.200 0.132 0.000 1.038 610 S CB -0.282 63.102 63.200 0.306 0.000 0.872 610 S HN 0.404 nan 8.310 nan 0.000 0.456 611 I N 0.999 121.614 120.570 0.075 0.000 2.252 611 I HA -0.202 3.968 4.170 0.001 0.000 0.245 611 I C 2.762 178.897 176.117 0.031 0.000 1.102 611 I CA 1.210 62.540 61.300 0.049 0.000 1.385 611 I CB -0.375 37.615 38.000 -0.017 0.000 1.064 611 I HN 0.263 nan 8.210 nan 0.000 0.414 612 Q N 1.114 120.925 119.800 0.019 0.000 2.096 612 Q HA -0.208 4.132 4.340 0.001 0.000 0.204 612 Q C 2.010 178.023 176.000 0.020 0.000 0.982 612 Q CA 1.910 57.722 55.803 0.015 0.000 0.850 612 Q CB -0.247 28.497 28.738 0.010 0.000 0.901 612 Q HN 0.316 nan 8.270 nan 0.000 0.422 613 L N -0.766 120.473 121.223 0.028 0.000 2.093 613 L HA -0.164 4.177 4.340 0.001 0.000 0.208 613 L C 2.411 179.297 176.870 0.025 0.000 1.085 613 L CA 1.232 56.087 54.840 0.026 0.000 0.755 613 L CB -0.912 41.165 42.059 0.030 0.000 0.904 613 L HN 0.358 nan 8.230 nan 0.000 0.435 614 C N -1.276 118.046 119.300 0.036 0.000 2.440 614 C HA -0.140 4.321 4.460 0.001 0.000 0.278 614 C C 2.974 177.977 174.990 0.022 0.000 1.295 614 C CA 0.593 59.630 59.018 0.033 0.000 1.738 614 C CB -0.796 26.976 27.740 0.053 0.000 1.987 614 C HN 0.507 nan 8.230 nan 0.000 0.492 615 R N 1.100 121.613 120.500 0.022 0.000 2.083 615 R HA -0.147 4.194 4.340 0.001 0.000 0.237 615 R C 1.669 177.975 176.300 0.011 0.000 1.137 615 R CA 2.093 58.203 56.100 0.016 0.000 0.951 615 R CB -0.342 29.967 30.300 0.015 0.000 0.851 615 R HN 0.472 nan 8.270 nan 0.000 0.434 616 D N 0.141 120.547 120.400 0.010 0.000 2.144 616 D HA -0.133 4.507 4.640 0.001 0.000 0.199 616 D C 1.432 177.734 176.300 0.003 0.000 0.984 616 D CA 1.535 55.539 54.000 0.006 0.000 0.834 616 D CB -0.217 40.587 40.800 0.007 0.000 0.955 616 D HN 0.398 nan 8.370 nan 0.000 0.465 617 A N -0.128 122.695 122.820 0.005 0.000 2.235 617 A HA 0.373 4.693 4.320 0.001 0.000 0.208 617 A C 1.558 179.140 177.584 -0.003 0.000 1.172 617 A CA 0.951 52.988 52.037 0.000 0.000 0.786 617 A CB -0.456 18.544 19.000 0.000 0.000 0.804 617 A HN 0.256 nan 8.150 nan 0.000 0.479 618 G N -0.642 108.158 108.800 -0.000 0.000 2.248 618 G HA2 -0.200 3.760 3.960 0.001 0.000 0.263 618 G HA3 -0.200 3.760 3.960 0.001 0.000 0.263 618 G C -0.203 174.697 174.900 0.000 0.000 1.082 618 G CA 0.338 45.436 45.100 -0.002 0.000 0.863 618 G HN 0.550 nan 8.290 nan 0.000 0.495 619 I N 0.063 120.636 120.570 0.007 0.000 2.447 619 I HA 0.412 4.582 4.170 0.001 0.000 0.287 619 I C 0.793 176.922 176.117 0.021 0.000 1.023 619 I CA -0.976 60.331 61.300 0.011 0.000 1.083 619 I CB 1.479 39.485 38.000 0.010 0.000 1.245 619 I HN 0.024 nan 8.210 nan 0.000 0.434 620 R N 3.946 124.460 120.500 0.023 0.000 2.615 620 R HA 0.575 4.915 4.340 0.001 0.000 0.270 620 R C -0.898 175.425 176.300 0.038 0.000 1.081 620 R CA -0.489 55.629 56.100 0.031 0.000 1.154 620 R CB 1.562 31.884 30.300 0.037 0.000 1.063 620 R HN 0.340 nan 8.270 nan 0.000 0.519 621 V N 4.926 124.860 119.914 0.033 0.000 2.385 621 V HA 0.235 4.355 4.120 0.001 0.000 0.277 621 V C -0.039 176.064 176.094 0.015 0.000 1.012 621 V CA -0.649 61.674 62.300 0.038 0.000 0.832 621 V CB 1.207 33.054 31.823 0.041 0.000 1.028 621 V HN 0.544 nan 8.190 nan 0.000 0.436 622 I N 4.200 124.797 120.570 0.045 0.000 2.474 622 I HA 0.347 4.518 4.170 0.001 0.000 0.287 622 I C 0.265 176.412 176.117 0.051 0.000 1.048 622 I CA -0.066 61.276 61.300 0.069 0.000 1.383 622 I CB 1.396 39.454 38.000 0.098 0.000 1.412 622 I HN 0.535 nan 8.210 nan 0.000 0.531 623 M N 6.591 126.221 119.600 0.050 0.000 2.108 623 M HA 0.393 4.873 4.480 0.001 0.000 0.354 623 M C -1.077 175.290 176.300 0.112 0.000 1.229 623 M CA -0.504 54.820 55.300 0.041 0.000 1.081 623 M CB 0.724 33.310 32.600 -0.023 0.000 1.606 623 M HN 0.314 nan 8.290 nan 0.000 0.467 624 I N 3.964 124.579 120.570 0.076 0.000 2.382 624 I HA 0.417 4.587 4.170 0.001 0.000 0.286 624 I C -0.068 176.095 176.117 0.077 0.000 1.002 624 I CA -0.361 60.987 61.300 0.081 0.000 1.135 624 I CB 0.952 38.958 38.000 0.009 0.000 1.288 624 I HN 0.562 nan 8.210 nan 0.000 0.448 625 T N 2.597 117.209 114.554 0.097 0.000 2.900 625 T HA 0.583 4.934 4.350 0.001 0.000 0.303 625 T C 0.983 175.747 174.700 0.107 0.000 1.142 625 T CA -0.052 62.102 62.100 0.090 0.000 1.007 625 T CB 1.881 70.793 68.868 0.074 0.000 1.156 625 T HN 0.760 nan 8.240 nan 0.000 0.490 626 G N 1.665 110.533 108.800 0.112 0.000 2.448 626 G HA2 0.046 4.006 3.960 0.001 0.000 0.218 626 G HA3 0.046 4.006 3.960 0.001 0.000 0.218 626 G C 0.576 175.546 174.900 0.117 0.000 1.135 626 G CA 0.130 45.309 45.100 0.131 0.000 0.784 626 G HN 0.725 nan 8.290 nan 0.000 0.543 627 D N 0.539 120.997 120.400 0.097 0.000 2.364 627 D HA -0.060 4.580 4.640 0.001 0.000 0.236 627 D C 0.659 177.008 176.300 0.081 0.000 1.221 627 D CA -0.295 53.755 54.000 0.084 0.000 0.891 627 D CB 0.307 41.147 40.800 0.067 0.000 1.190 627 D HN 0.141 nan 8.370 nan 0.000 0.449 628 N N 2.006 120.752 118.700 0.076 0.000 2.412 628 N HA -0.133 4.607 4.740 0.001 0.000 0.254 628 N C 0.850 176.397 175.510 0.062 0.000 1.232 628 N CA 0.286 53.378 53.050 0.070 0.000 0.880 628 N CB 0.676 39.204 38.487 0.068 0.000 1.076 628 N HN 0.386 nan 8.380 nan 0.000 0.458 629 K N 2.849 123.282 120.400 0.055 0.000 2.089 629 K HA -0.186 4.135 4.320 0.001 0.000 0.210 629 K C 1.683 178.308 176.600 0.042 0.000 1.048 629 K CA 1.888 58.201 56.287 0.043 0.000 0.926 629 K CB -0.486 32.029 32.500 0.025 0.000 0.714 629 K HN 0.773 nan 8.250 nan 0.000 0.448 630 G N 0.108 108.933 108.800 0.040 0.000 2.453 630 G HA2 -0.312 3.648 3.960 0.001 0.000 0.215 630 G HA3 -0.312 3.648 3.960 0.001 0.000 0.215 630 G C 1.510 176.442 174.900 0.052 0.000 1.201 630 G CA 1.698 46.823 45.100 0.041 0.000 0.784 630 G HN 0.531 nan 8.290 nan 0.000 0.545 631 T N -0.528 114.061 114.554 0.058 0.000 2.881 631 T HA 0.205 4.556 4.350 0.001 0.000 0.270 631 T C 2.470 177.200 174.700 0.049 0.000 1.068 631 T CA 1.726 63.861 62.100 0.058 0.000 1.131 631 T CB -0.267 68.640 68.868 0.064 0.000 0.871 631 T HN 0.369 nan 8.240 nan 0.000 0.479 632 A N 2.071 124.921 122.820 0.051 0.000 1.832 632 A HA 0.150 4.470 4.320 0.001 0.000 0.214 632 A C 2.409 180.028 177.584 0.058 0.000 1.200 632 A CA 1.357 53.421 52.037 0.046 0.000 0.610 632 A CB -0.949 18.083 19.000 0.054 0.000 0.842 632 A HN 0.525 nan 8.150 nan 0.000 0.444 633 I N -0.081 120.546 120.570 0.095 0.000 2.248 633 I HA -0.349 3.821 4.170 0.001 0.000 0.248 633 I C 2.965 179.160 176.117 0.131 0.000 1.107 633 I CA 1.086 62.489 61.300 0.171 0.000 1.373 633 I CB -0.453 37.628 38.000 0.136 0.000 1.055 633 I HN 0.423 nan 8.210 nan 0.000 0.418 634 A N 1.610 124.476 122.820 0.077 0.000 1.841 634 A HA -0.211 4.110 4.320 0.001 0.000 0.216 634 A C 2.217 179.825 177.584 0.041 0.000 1.199 634 A CA 1.637 53.708 52.037 0.058 0.000 0.621 634 A CB -0.761 18.268 19.000 0.048 0.000 0.835 634 A HN 0.307 nan 8.150 nan 0.000 0.445 635 I N 0.051 120.634 120.570 0.021 0.000 2.185 635 I HA -0.341 3.829 4.170 0.001 0.000 0.246 635 I C 2.695 178.790 176.117 -0.036 0.000 1.088 635 I CA 1.491 62.785 61.300 -0.011 0.000 1.347 635 I CB -1.907 36.080 38.000 -0.021 0.000 1.041 635 I HN 0.390 nan 8.210 nan 0.000 0.415 636 C N 0.737 120.011 119.300 -0.043 0.000 2.411 636 C HA -0.150 4.311 4.460 0.001 0.000 0.279 636 C C 2.989 177.934 174.990 -0.075 0.000 1.288 636 C CA 0.721 59.650 59.018 -0.149 0.000 1.764 636 C CB -1.103 26.434 27.740 -0.338 0.000 1.974 636 C HN 0.459 nan 8.230 nan 0.000 0.498 637 R N 0.337 120.866 120.500 0.047 0.000 2.066 637 R HA -0.061 4.280 4.340 0.001 0.000 0.232 637 R C 2.430 178.738 176.300 0.013 0.000 1.131 637 R CA 1.068 57.210 56.100 0.070 0.000 0.955 637 R CB -0.372 29.982 30.300 0.090 0.000 0.851 637 R HN 0.550 nan 8.270 nan 0.000 0.432 638 R N 0.985 121.484 120.500 -0.002 0.000 2.105 638 R HA -0.116 4.224 4.340 0.001 0.000 0.239 638 R C 2.306 178.583 176.300 -0.038 0.000 1.135 638 R CA 1.696 57.786 56.100 -0.017 0.000 0.967 638 R CB -0.418 29.871 30.300 -0.020 0.000 0.861 638 R HN 0.404 nan 8.270 nan 0.000 0.442 639 I N -3.869 116.663 120.570 -0.063 0.000 3.793 639 I HA 0.348 4.518 4.170 0.001 0.000 0.315 639 I C 0.828 176.895 176.117 -0.084 0.000 1.275 639 I CA 0.570 61.816 61.300 -0.090 0.000 1.214 639 I CB 0.611 38.527 38.000 -0.139 0.000 1.018 639 I HN 0.187 nan 8.210 nan 0.000 0.439 640 G N 1.966 110.729 108.800 -0.062 0.000 2.130 640 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 640 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 640 G C 0.564 175.426 174.900 -0.063 0.000 0.999 640 G CA 0.368 45.444 45.100 -0.041 0.000 0.686 640 G HN 0.484 nan 8.290 nan 0.000 0.515 641 I N -0.892 119.591 120.570 -0.145 0.000 2.406 641 I HA 0.225 4.396 4.170 0.001 0.000 0.249 641 I C 1.103 177.099 176.117 -0.202 0.000 1.122 641 I CA 0.966 62.107 61.300 -0.265 0.000 1.431 641 I CB -0.032 37.675 38.000 -0.487 0.000 1.087 641 I HN 0.203 nan 8.210 nan 0.000 0.424 642 F N 0.259 120.200 119.950 -0.016 0.000 2.508 642 F HA 0.499 5.026 4.527 0.001 0.000 0.325 642 F C 1.008 176.797 175.800 -0.019 0.000 1.090 642 F CA -1.229 56.759 58.000 -0.019 0.000 0.945 642 F CB 1.385 40.369 39.000 -0.027 0.000 1.156 642 F HN -0.157 nan 8.300 nan 0.000 0.463 643 G N 0.995 109.911 108.800 0.192 0.000 2.559 643 G HA2 -0.025 3.935 3.960 0.001 0.000 0.235 643 G HA3 -0.025 3.935 3.960 0.001 0.000 0.235 643 G C 0.554 175.498 174.900 0.073 0.000 1.266 643 G CA -0.263 44.891 45.100 0.090 0.000 0.847 643 G HN 0.911 nan 8.290 nan 0.000 0.583 644 E N 0.400 120.626 120.200 0.043 0.000 2.333 644 E HA -0.087 4.264 4.350 0.001 0.000 0.198 644 E C 0.565 177.174 176.600 0.014 0.000 1.007 644 E CA 0.666 57.084 56.400 0.030 0.000 0.845 644 E CB 0.087 29.798 29.700 0.018 0.000 0.766 644 E HN 0.521 nan 8.360 nan 0.000 0.507 645 N N 0.682 119.384 118.700 0.003 0.000 2.387 645 N HA 0.017 4.758 4.740 0.001 0.000 0.259 645 N C -1.096 174.393 175.510 -0.035 0.000 1.369 645 N CA -0.044 52.997 53.050 -0.015 0.000 0.867 645 N CB 0.951 39.430 38.487 -0.013 0.000 1.341 645 N HN 0.139 nan 8.380 nan 0.000 0.495 646 E N 1.546 121.719 120.200 -0.045 0.000 2.301 646 E HA 0.073 4.423 4.350 0.001 0.000 0.275 646 E C -0.481 176.027 176.600 -0.152 0.000 1.030 646 E CA -0.388 55.960 56.400 -0.087 0.000 0.852 646 E CB 1.066 30.718 29.700 -0.080 0.000 1.060 646 E HN -0.025 nan 8.360 nan 0.000 0.401 647 E N 2.930 123.039 120.200 -0.151 0.000 2.290 647 E HA 0.080 4.431 4.350 0.001 0.000 0.277 647 E C -0.358 176.076 176.600 -0.277 0.000 1.035 647 E CA -0.243 56.050 56.400 -0.178 0.000 0.873 647 E CB 1.119 30.743 29.700 -0.127 0.000 1.029 647 E HN 0.316 nan 8.360 nan 0.000 0.419 648 V N 2.358 122.066 119.914 -0.344 0.000 2.915 648 V HA 0.491 4.612 4.120 0.001 0.000 0.364 648 V C 1.179 177.041 176.094 -0.386 0.000 1.354 648 V CA 0.125 62.123 62.300 -0.503 0.000 1.213 648 V CB 0.005 31.334 31.823 -0.823 0.000 1.268 648 V HN 0.617 nan 8.190 nan 0.000 0.557 649 A N 0.512 123.162 122.820 -0.283 0.000 1.933 649 A HA -0.127 4.193 4.320 0.001 0.000 0.218 649 A C 1.692 179.074 177.584 -0.337 0.000 1.175 649 A CA 2.223 54.103 52.037 -0.262 0.000 0.628 649 A CB -0.316 18.581 19.000 -0.173 0.000 0.814 649 A HN 0.549 nan 8.150 nan 0.000 0.444 650 D N -1.530 118.709 120.400 -0.269 0.000 2.349 650 D HA 0.144 4.784 4.640 0.001 0.000 0.214 650 D C 1.187 177.367 176.300 -0.199 0.000 1.063 650 D CA 0.282 54.157 54.000 -0.208 0.000 0.847 650 D CB 0.191 40.960 40.800 -0.052 0.000 0.933 650 D HN 0.457 nan 8.370 nan 0.000 0.513 651 R N -0.231 120.088 120.500 -0.302 0.000 2.535 651 R HA 0.473 4.813 4.340 0.001 0.000 0.323 651 R C -0.041 176.178 176.300 -0.135 0.000 0.979 651 R CA -0.101 55.919 56.100 -0.134 0.000 1.120 651 R CB 1.658 31.894 30.300 -0.107 0.000 1.306 651 R HN -0.091 nan 8.270 nan 0.000 0.540 652 A N 0.629 123.191 122.820 -0.429 0.000 2.408 652 A HA 0.698 5.019 4.320 0.001 0.000 0.295 652 A C -1.656 175.570 177.584 -0.597 0.000 1.040 652 A CA -0.498 51.336 52.037 -0.339 0.000 0.707 652 A CB 0.947 19.838 19.000 -0.182 0.000 1.235 652 A HN 0.160 nan 8.150 nan 0.000 0.418 653 Y N 0.303 120.374 120.300 -0.381 0.000 2.504 653 Y HA 0.556 5.107 4.550 0.001 0.000 0.344 653 Y C 0.854 176.656 175.900 -0.164 0.000 1.023 653 Y CA -0.295 57.644 58.100 -0.268 0.000 1.020 653 Y CB 2.430 40.706 38.460 -0.308 0.000 1.282 653 Y HN 0.809 nan 8.280 nan 0.000 0.454 654 T N -2.005 112.625 114.554 0.127 0.000 2.882 654 T HA 0.341 4.691 4.350 0.001 0.000 0.287 654 T C 1.366 176.140 174.700 0.123 0.000 1.014 654 T CA -0.088 62.074 62.100 0.104 0.000 1.049 654 T CB 1.438 70.363 68.868 0.095 0.000 1.001 654 T HN 0.868 nan 8.240 nan 0.000 0.525 655 G N 0.454 109.284 108.800 0.050 0.000 2.469 655 G HA2 -0.257 3.704 3.960 0.001 0.000 0.220 655 G HA3 -0.257 3.704 3.960 0.001 0.000 0.220 655 G C 1.590 176.551 174.900 0.102 0.000 1.136 655 G CA 0.825 45.859 45.100 -0.111 0.000 0.759 655 G HN 0.825 nan 8.290 nan 0.000 0.562 656 R N 0.281 120.871 120.500 0.150 0.000 2.062 656 R HA -0.022 4.318 4.340 0.001 0.000 0.231 656 R C 2.585 178.977 176.300 0.153 0.000 1.136 656 R CA 1.528 57.719 56.100 0.152 0.000 0.948 656 R CB -0.255 30.116 30.300 0.118 0.000 0.845 656 R HN 0.439 nan 8.270 nan 0.000 0.430 657 E N -0.480 119.823 120.200 0.171 0.000 2.160 657 E HA -0.238 4.112 4.350 0.001 0.000 0.195 657 E C 1.642 178.365 176.600 0.206 0.000 0.991 657 E CA 1.517 58.039 56.400 0.203 0.000 0.810 657 E CB -0.177 29.692 29.700 0.282 0.000 0.742 657 E HN 0.343 nan 8.360 nan 0.000 0.466 658 F N 1.632 121.603 119.950 0.036 0.000 2.084 658 F HA -0.170 4.357 4.527 0.001 0.000 0.296 658 F C 1.689 177.494 175.800 0.008 0.000 1.111 658 F CA 1.233 59.200 58.000 -0.053 0.000 1.224 658 F CB 0.196 39.188 39.000 -0.012 0.000 0.991 658 F HN -0.113 nan 8.300 nan 0.000 0.471 659 D N 0.229 120.690 120.400 0.100 0.000 2.350 659 D HA -0.138 4.503 4.640 0.001 0.000 0.216 659 D C 1.461 177.754 176.300 -0.013 0.000 0.968 659 D CA 0.908 54.937 54.000 0.048 0.000 0.894 659 D CB -0.425 40.493 40.800 0.197 0.000 0.909 659 D HN 0.366 nan 8.370 nan 0.000 0.520 660 D N -0.300 120.098 120.400 -0.002 0.000 2.289 660 D HA 0.039 4.679 4.640 0.001 0.000 0.207 660 D C 0.725 176.997 176.300 -0.046 0.000 0.966 660 D CA 0.148 54.146 54.000 -0.003 0.000 0.868 660 D CB 0.301 41.121 40.800 0.033 0.000 0.943 660 D HN 0.226 nan 8.370 nan 0.000 0.514 661 L N 2.158 123.312 121.223 -0.115 0.000 2.417 661 L HA 0.257 4.597 4.340 0.001 0.000 0.268 661 L C -1.915 174.864 176.870 -0.151 0.000 1.158 661 L CA -1.786 52.968 54.840 -0.142 0.000 0.819 661 L CB 0.231 42.152 42.059 -0.231 0.000 1.112 661 L HN -0.167 nan 8.230 nan 0.000 0.458 662 P HA 0.026 nan 4.420 nan 0.000 0.272 662 P C 0.653 177.873 177.300 -0.134 0.000 1.240 662 P CA -0.561 62.483 63.100 -0.094 0.000 0.791 662 P CB 0.777 32.440 31.700 -0.061 0.000 0.978 663 L N 1.931 123.098 121.223 -0.093 0.000 1.997 663 L HA -0.258 4.083 4.340 0.001 0.000 0.216 663 L C 2.651 179.439 176.870 -0.135 0.000 1.074 663 L CA 2.702 57.497 54.840 -0.076 0.000 0.763 663 L CB -2.332 39.733 42.059 0.009 0.000 0.890 663 L HN 0.486 nan 8.230 nan 0.000 0.434 664 A N -1.374 121.390 122.820 -0.094 0.000 2.024 664 A HA -0.175 4.145 4.320 0.001 0.000 0.220 664 A C 2.148 179.658 177.584 -0.125 0.000 1.164 664 A CA 1.499 53.481 52.037 -0.092 0.000 0.643 664 A CB -0.327 18.644 19.000 -0.048 0.000 0.806 664 A HN 0.473 nan 8.150 nan 0.000 0.451 665 E N -0.155 119.956 120.200 -0.149 0.000 2.122 665 E HA -0.126 4.224 4.350 0.001 0.000 0.190 665 E C 2.117 178.562 176.600 -0.259 0.000 0.977 665 E CA 0.955 57.263 56.400 -0.153 0.000 0.820 665 E CB -0.449 29.174 29.700 -0.128 0.000 0.770 665 E HN 0.790 nan 8.360 nan 0.000 0.462 666 Q N 0.482 120.025 119.800 -0.429 0.000 2.170 666 Q HA -0.120 4.220 4.340 0.001 0.000 0.203 666 Q C 2.285 177.857 176.000 -0.714 0.000 0.976 666 Q CA 1.077 56.460 55.803 -0.700 0.000 0.858 666 Q CB -0.092 28.089 28.738 -0.929 0.000 0.907 666 Q HN 0.111 nan 8.270 nan 0.000 0.433 667 R N 0.864 120.841 120.500 -0.871 0.000 2.062 667 R HA -0.187 4.154 4.340 0.001 0.000 0.231 667 R C 2.016 178.266 176.300 -0.083 0.000 1.136 667 R CA 1.576 57.212 56.100 -0.774 0.000 0.948 667 R CB -0.005 30.042 30.300 -0.422 0.000 0.845 667 R HN 0.096 nan 8.270 nan 0.000 0.430 668 E N 0.181 120.380 120.200 -0.003 0.000 2.118 668 E HA -0.171 4.179 4.350 0.001 0.000 0.195 668 E C 1.638 178.284 176.600 0.078 0.000 0.992 668 E CA 1.619 58.068 56.400 0.083 0.000 0.804 668 E CB -0.149 29.576 29.700 0.040 0.000 0.741 668 E HN 0.479 nan 8.360 nan 0.000 0.458 669 A N -0.406 122.454 122.820 0.067 0.000 1.972 669 A HA -0.196 4.124 4.320 0.001 0.000 0.219 669 A C 2.391 180.178 177.584 0.338 0.000 1.169 669 A CA 1.405 53.543 52.037 0.168 0.000 0.635 669 A CB -0.806 18.203 19.000 0.015 0.000 0.810 669 A HN 0.499 nan 8.150 nan 0.000 0.446 670 C N -1.227 118.257 119.300 0.308 0.000 2.432 670 C HA 0.004 4.464 4.460 0.001 0.000 0.280 670 C C 2.739 177.855 174.990 0.210 0.000 1.353 670 C CA 0.826 60.026 59.018 0.304 0.000 1.766 670 C CB -1.290 26.603 27.740 0.255 0.000 1.924 670 C HN 0.595 nan 8.230 nan 0.000 0.509 671 R N 0.695 121.263 120.500 0.113 0.000 2.148 671 R HA -0.061 4.279 4.340 0.001 0.000 0.223 671 R C 2.337 178.661 176.300 0.040 0.000 1.088 671 R CA 1.141 57.229 56.100 -0.021 0.000 0.985 671 R CB -0.029 30.128 30.300 -0.238 0.000 0.880 671 R HN 0.688 nan 8.270 nan 0.000 0.451 672 R N -0.779 119.786 120.500 0.110 0.000 2.191 672 R HA 0.328 4.669 4.340 0.001 0.000 0.196 672 R C 0.600 177.012 176.300 0.185 0.000 0.991 672 R CA 0.327 56.499 56.100 0.119 0.000 1.075 672 R CB 0.047 30.403 30.300 0.093 0.000 1.040 672 R HN -0.076 nan 8.270 nan 0.000 0.526 673 A N 0.563 123.545 122.820 0.270 0.000 2.425 673 A HA 0.305 4.626 4.320 0.001 0.000 0.242 673 A C 0.299 178.087 177.584 0.340 0.000 1.077 673 A CA -0.244 51.961 52.037 0.280 0.000 0.781 673 A CB 0.478 19.615 19.000 0.228 0.000 1.020 673 A HN 0.568 nan 8.150 nan 0.000 0.494 674 C N 0.111 119.600 119.300 0.315 0.000 3.657 674 C HA 0.399 4.859 4.460 0.001 0.000 0.291 674 C C 0.158 175.220 174.990 0.119 0.000 1.572 674 C CA -0.215 58.931 59.018 0.214 0.000 1.818 674 C CB -1.160 26.640 27.740 0.100 0.000 2.903 674 C HN 0.878 nan 8.230 nan 0.000 0.632 675 C N 1.708 121.114 119.300 0.177 0.000 2.620 675 C HA 0.705 5.165 4.460 0.001 0.000 0.356 675 C C -1.658 173.302 174.990 -0.051 0.000 1.082 675 C CA -0.432 58.651 59.018 0.109 0.000 1.293 675 C CB -0.727 27.096 27.740 0.138 0.000 1.836 675 C HN 0.373 nan 8.230 nan 0.000 0.453 676 F N 4.620 124.586 119.950 0.026 0.000 2.467 676 F HA 0.752 5.280 4.527 0.001 0.000 0.336 676 F C 0.572 176.371 175.800 -0.002 0.000 1.123 676 F CA -0.184 57.809 58.000 -0.011 0.000 0.964 676 F CB 1.786 40.703 39.000 -0.138 0.000 1.136 676 F HN 0.831 nan 8.300 nan 0.000 0.447 677 A N 2.676 125.570 122.820 0.123 0.000 2.384 677 A HA 0.797 5.118 4.320 0.001 0.000 0.312 677 A C 0.272 177.917 177.584 0.102 0.000 1.113 677 A CA -0.906 51.191 52.037 0.100 0.000 0.779 677 A CB 1.065 20.107 19.000 0.070 0.000 1.307 677 A HN 0.766 nan 8.150 nan 0.000 0.436 678 R N -1.163 119.402 120.500 0.108 0.000 3.416 678 R HA -0.142 4.198 4.340 0.001 0.000 0.263 678 R C -0.578 175.809 176.300 0.145 0.000 1.053 678 R CA 0.759 56.931 56.100 0.121 0.000 0.705 678 R CB -2.309 28.054 30.300 0.105 0.000 1.124 678 R HN 0.618 nan 8.270 nan 0.000 0.444 679 V N 0.609 120.618 119.914 0.158 0.000 2.547 679 V HA 0.228 4.349 4.120 0.001 0.000 0.299 679 V C 0.908 177.186 176.094 0.308 0.000 1.040 679 V CA -0.576 61.857 62.300 0.222 0.000 0.913 679 V CB 2.060 33.942 31.823 0.098 0.000 0.992 679 V HN 0.205 nan 8.190 nan 0.000 0.449 680 E N 5.606 126.100 120.200 0.490 0.000 2.376 680 E HA 0.213 4.563 4.350 0.001 0.000 0.254 680 E C -1.783 174.868 176.600 0.084 0.000 1.213 680 E CA -1.426 55.070 56.400 0.160 0.000 0.945 680 E CB 0.747 30.433 29.700 -0.024 0.000 1.057 680 E HN 0.477 nan 8.360 nan 0.000 0.479 681 P HA -0.160 nan 4.420 nan 0.000 0.220 681 P C 1.388 178.676 177.300 -0.020 0.000 1.148 681 P CA 1.325 64.432 63.100 0.011 0.000 0.803 681 P CB 0.140 31.841 31.700 0.001 0.000 0.782 682 S N -1.687 113.966 115.700 -0.078 0.000 2.383 682 S HA -0.219 4.251 4.470 0.001 0.000 0.227 682 S C 1.798 176.362 174.600 -0.061 0.000 1.026 682 S CA 1.078 59.216 58.200 -0.103 0.000 0.981 682 S CB -1.613 61.489 63.200 -0.164 0.000 0.818 682 S HN 0.263 nan 8.310 nan 0.000 0.472 683 H N 1.630 120.705 119.070 0.008 0.000 2.319 683 H HA 0.020 4.576 4.556 0.001 0.000 0.299 683 H C 2.359 177.633 175.328 -0.090 0.000 1.092 683 H CA 1.826 57.874 56.048 -0.001 0.000 1.302 683 H CB -0.022 29.753 29.762 0.021 0.000 1.373 683 H HN 0.420 nan 8.280 nan 0.000 0.497 684 K N 0.049 120.482 120.400 0.054 0.000 2.032 684 K HA -0.162 4.158 4.320 0.001 0.000 0.209 684 K C 2.544 179.106 176.600 -0.062 0.000 1.048 684 K CA 1.336 57.598 56.287 -0.041 0.000 0.927 684 K CB -0.274 32.219 32.500 -0.012 0.000 0.712 684 K HN 0.081 nan 8.250 nan 0.000 0.441 685 S N 1.198 116.873 115.700 -0.041 0.000 2.374 685 S HA -0.215 4.256 4.470 0.001 0.000 0.227 685 S C 2.021 176.564 174.600 -0.095 0.000 1.037 685 S CA 1.573 59.737 58.200 -0.060 0.000 1.024 685 S CB -0.072 63.096 63.200 -0.054 0.000 0.861 685 S HN 0.239 nan 8.310 nan 0.000 0.456 686 K N 0.189 120.534 120.400 -0.092 0.000 2.057 686 K HA -0.069 4.251 4.320 0.001 0.000 0.207 686 K C 2.018 178.487 176.600 -0.218 0.000 1.049 686 K CA 1.478 57.655 56.287 -0.183 0.000 0.931 686 K CB -0.239 32.237 32.500 -0.040 0.000 0.714 686 K HN 0.337 nan 8.250 nan 0.000 0.440 687 I N 1.170 121.673 120.570 -0.110 0.000 2.069 687 I HA -0.276 3.894 4.170 0.001 0.000 0.237 687 I C 2.445 178.538 176.117 -0.040 0.000 1.053 687 I CA 1.196 62.425 61.300 -0.119 0.000 1.311 687 I CB -1.391 36.340 38.000 -0.449 0.000 1.030 687 I HN 0.005 nan 8.210 nan 0.000 0.398 688 V N 0.809 120.674 119.914 -0.081 0.000 2.282 688 V HA -0.325 3.795 4.120 0.001 0.000 0.249 688 V C 2.645 178.728 176.094 -0.019 0.000 1.057 688 V CA 2.226 64.503 62.300 -0.038 0.000 1.032 688 V CB -0.717 31.078 31.823 -0.046 0.000 0.645 688 V HN 0.476 nan 8.190 nan 0.000 0.447 689 E N -1.012 119.141 120.200 -0.077 0.000 2.049 689 E HA -0.264 4.086 4.350 0.001 0.000 0.198 689 E C 2.257 178.835 176.600 -0.036 0.000 1.007 689 E CA 1.949 58.288 56.400 -0.101 0.000 0.809 689 E CB -0.229 29.348 29.700 -0.204 0.000 0.749 689 E HN 0.658 nan 8.360 nan 0.000 0.450 690 Y N 0.629 120.941 120.300 0.019 0.000 2.040 690 Y HA -0.296 4.254 4.550 0.001 0.000 0.275 690 Y C 2.359 178.311 175.900 0.086 0.000 1.171 690 Y CA 1.064 59.188 58.100 0.039 0.000 1.123 690 Y CB -0.785 37.745 38.460 0.117 0.000 0.963 690 Y HN 0.167 nan 8.280 nan 0.000 0.493 691 L N 0.025 121.428 121.223 0.299 0.000 2.089 691 L HA -0.297 4.043 4.340 0.001 0.000 0.213 691 L C 2.155 179.152 176.870 0.212 0.000 1.079 691 L CA 1.937 56.938 54.840 0.270 0.000 0.758 691 L CB -1.524 40.623 42.059 0.147 0.000 0.891 691 L HN 0.454 nan 8.230 nan 0.000 0.433 692 Q N -0.857 119.011 119.800 0.114 0.000 2.230 692 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 692 Q C 2.232 178.254 176.000 0.036 0.000 0.963 692 Q CA 1.434 57.275 55.803 0.062 0.000 0.866 692 Q CB -0.057 28.692 28.738 0.019 0.000 0.931 692 Q HN 0.642 nan 8.270 nan 0.000 0.452 693 S N -0.366 115.330 115.700 -0.006 0.000 2.474 693 S HA -0.138 4.333 4.470 0.001 0.000 0.235 693 S C 1.079 175.564 174.600 -0.191 0.000 0.997 693 S CA 0.645 58.776 58.200 -0.114 0.000 0.949 693 S CB -0.280 62.825 63.200 -0.159 0.000 0.766 693 S HN 0.362 nan 8.310 nan 0.000 0.517 694 Y N 2.020 122.353 120.300 0.054 0.000 2.470 694 Y HA 0.275 4.825 4.550 0.001 0.000 0.302 694 Y C 0.110 176.025 175.900 0.025 0.000 1.194 694 Y CA -1.008 57.114 58.100 0.038 0.000 1.271 694 Y CB -0.813 37.671 38.460 0.040 0.000 1.092 694 Y HN 0.108 nan 8.280 nan 0.000 0.513 695 D N 1.620 122.085 120.400 0.109 0.000 2.740 695 D HA -0.225 4.416 4.640 0.001 0.000 0.231 695 D C -0.369 175.973 176.300 0.071 0.000 1.194 695 D CA 0.892 54.933 54.000 0.068 0.000 0.673 695 D CB -0.692 40.136 40.800 0.048 0.000 0.995 695 D HN 0.521 nan 8.370 nan 0.000 0.411 696 E N -0.266 119.982 120.200 0.080 0.000 2.227 696 E HA 0.466 4.817 4.350 0.001 0.000 0.268 696 E C 0.208 176.827 176.600 0.032 0.000 0.907 696 E CA -1.201 55.233 56.400 0.057 0.000 0.786 696 E CB 1.466 31.212 29.700 0.077 0.000 1.191 696 E HN -0.024 nan 8.360 nan 0.000 0.411 697 I N 2.256 122.833 120.570 0.011 0.000 2.379 697 I HA 0.061 4.232 4.170 0.001 0.000 0.290 697 I C 0.045 176.163 176.117 0.002 0.000 1.063 697 I CA 0.357 61.656 61.300 -0.001 0.000 1.351 697 I CB 0.552 38.541 38.000 -0.019 0.000 1.410 697 I HN 0.321 nan 8.210 nan 0.000 0.505 698 T N 5.843 120.399 114.554 0.003 0.000 2.823 698 T HA 0.843 5.194 4.350 0.001 0.000 0.279 698 T C -0.029 174.666 174.700 -0.008 0.000 0.998 698 T CA -0.708 61.394 62.100 0.004 0.000 0.994 698 T CB 1.676 70.551 68.868 0.012 0.000 0.960 698 T HN 0.619 nan 8.240 nan 0.000 0.448 699 A N 2.583 125.396 122.820 -0.011 0.000 2.322 699 A HA 0.936 5.257 4.320 0.001 0.000 0.327 699 A C -0.785 176.791 177.584 -0.014 0.000 1.134 699 A CA -0.903 51.122 52.037 -0.020 0.000 0.831 699 A CB 1.509 20.489 19.000 -0.033 0.000 1.288 699 A HN 0.730 nan 8.150 nan 0.000 0.472 700 M N 0.746 120.335 119.600 -0.018 0.000 2.324 700 M HA 0.534 5.014 4.480 0.001 0.000 0.288 700 M C -1.300 174.996 176.300 -0.007 0.000 1.097 700 M CA 0.042 55.338 55.300 -0.007 0.000 0.928 700 M CB 2.010 34.605 32.600 -0.010 0.000 1.648 700 M HN 0.556 nan 8.290 nan 0.000 0.460 701 T N 3.360 117.925 114.554 0.017 0.000 2.792 701 T HA 0.952 5.302 4.350 0.001 0.000 0.280 701 T C -0.168 174.567 174.700 0.058 0.000 0.990 701 T CA -0.451 61.664 62.100 0.025 0.000 0.960 701 T CB 1.453 70.338 68.868 0.030 0.000 0.939 701 T HN 0.919 nan 8.240 nan 0.000 0.439 702 G N 1.221 110.048 108.800 0.045 0.000 2.619 702 G HA2 0.581 4.542 3.960 0.001 0.000 0.305 702 G HA3 0.581 4.542 3.960 0.001 0.000 0.305 702 G C -1.076 173.851 174.900 0.045 0.000 1.330 702 G CA -0.596 44.536 45.100 0.053 0.000 0.789 702 G HN 0.568 nan 8.290 nan 0.000 0.487 703 D N -1.964 118.463 120.400 0.046 0.000 2.204 703 D HA 0.168 4.808 4.640 0.001 0.000 0.337 703 D C 1.107 177.431 176.300 0.040 0.000 1.054 703 D CA 0.752 54.777 54.000 0.042 0.000 0.869 703 D CB -0.226 40.602 40.800 0.048 0.000 1.548 703 D HN 0.847 nan 8.370 nan 0.000 0.530 704 G N 1.313 110.140 108.800 0.045 0.000 2.507 704 G HA2 0.412 4.373 3.960 0.001 0.000 0.271 704 G HA3 0.412 4.373 3.960 0.001 0.000 0.271 704 G C 1.403 176.331 174.900 0.046 0.000 1.189 704 G CA -0.012 45.118 45.100 0.050 0.000 0.859 704 G HN 0.281 nan 8.290 nan 0.000 0.542 705 V N -0.041 119.904 119.914 0.051 0.000 2.594 705 V HA -0.178 3.942 4.120 0.001 0.000 0.253 705 V C 2.208 178.327 176.094 0.042 0.000 1.069 705 V CA 1.885 64.211 62.300 0.044 0.000 1.082 705 V CB -0.750 31.100 31.823 0.046 0.000 0.680 705 V HN 0.735 nan 8.190 nan 0.000 0.469 706 N N 0.760 119.495 118.700 0.058 0.000 2.520 706 N HA -0.172 4.568 4.740 0.001 0.000 0.185 706 N C 0.991 176.524 175.510 0.038 0.000 1.068 706 N CA 1.649 54.731 53.050 0.053 0.000 0.911 706 N CB -0.674 37.861 38.487 0.080 0.000 0.961 706 N HN 0.590 nan 8.380 nan 0.000 0.446 707 D N 0.091 120.511 120.400 0.035 0.000 2.360 707 D HA 0.221 4.861 4.640 0.001 0.000 0.210 707 D C 1.679 177.987 176.300 0.012 0.000 1.047 707 D CA 0.321 54.336 54.000 0.024 0.000 0.854 707 D CB 0.229 41.047 40.800 0.030 0.000 0.936 707 D HN 0.338 nan 8.370 nan 0.000 0.514 708 A N 2.027 124.853 122.820 0.011 0.000 1.865 708 A HA -0.112 4.209 4.320 0.001 0.000 0.217 708 A C -0.175 177.405 177.584 -0.005 0.000 1.191 708 A CA 1.331 53.370 52.037 0.004 0.000 0.623 708 A CB -1.415 17.588 19.000 0.005 0.000 0.826 708 A HN 0.147 nan 8.150 nan 0.000 0.444 709 P HA -0.150 nan 4.420 nan 0.000 0.214 709 P C 1.872 179.159 177.300 -0.022 0.000 1.163 709 P CA 2.096 65.185 63.100 -0.019 0.000 0.883 709 P CB -0.166 31.519 31.700 -0.025 0.000 0.788 710 A N -0.638 122.170 122.820 -0.020 0.000 1.859 710 A HA -0.226 4.094 4.320 0.001 0.000 0.217 710 A C 2.251 179.823 177.584 -0.019 0.000 1.198 710 A CA 1.847 53.870 52.037 -0.024 0.000 0.629 710 A CB -1.789 17.199 19.000 -0.020 0.000 0.830 710 A HN 0.088 nan 8.150 nan 0.000 0.446 711 L N -0.659 120.557 121.223 -0.012 0.000 2.013 711 L HA -0.276 4.064 4.340 0.001 0.000 0.212 711 L C 2.708 179.569 176.870 -0.015 0.000 1.073 711 L CA 2.137 56.971 54.840 -0.012 0.000 0.753 711 L CB -0.369 41.687 42.059 -0.006 0.000 0.890 711 L HN 0.376 nan 8.230 nan 0.000 0.432 712 K N -0.396 119.995 120.400 -0.016 0.000 2.025 712 K HA -0.232 4.088 4.320 0.001 0.000 0.207 712 K C 2.229 178.817 176.600 -0.021 0.000 1.049 712 K CA 1.361 57.638 56.287 -0.017 0.000 0.933 712 K CB -0.069 32.421 32.500 -0.017 0.000 0.714 712 K HN -0.008 nan 8.250 nan 0.000 0.438 713 K N 1.215 121.600 120.400 -0.025 0.000 2.044 713 K HA -0.090 4.230 4.320 0.001 0.000 0.210 713 K C 0.351 176.935 176.600 -0.026 0.000 1.049 713 K CA 1.231 57.500 56.287 -0.030 0.000 0.927 713 K CB -0.510 31.967 32.500 -0.040 0.000 0.713 713 K HN 0.183 nan 8.250 nan 0.000 0.443 714 A N 0.927 123.733 122.820 -0.024 0.000 2.520 714 A HA -0.002 4.319 4.320 0.001 0.000 0.235 714 A C 0.901 178.473 177.584 -0.019 0.000 1.065 714 A CA 0.072 52.098 52.037 -0.020 0.000 0.764 714 A CB 0.081 19.070 19.000 -0.019 0.000 1.002 714 A HN 0.435 nan 8.150 nan 0.000 0.502 715 E N 0.299 120.489 120.200 -0.017 0.000 2.065 715 E HA -0.143 4.208 4.350 0.001 0.000 0.201 715 E C 0.601 177.189 176.600 -0.021 0.000 1.016 715 E CA 1.832 58.222 56.400 -0.017 0.000 0.818 715 E CB -0.001 29.689 29.700 -0.017 0.000 0.749 715 E HN 0.620 nan 8.360 nan 0.000 0.453 716 I N -0.305 120.250 120.570 -0.024 0.000 2.499 716 I HA 0.473 4.644 4.170 0.001 0.000 0.288 716 I C -0.693 175.406 176.117 -0.030 0.000 1.048 716 I CA -0.791 60.492 61.300 -0.029 0.000 1.062 716 I CB 1.629 39.608 38.000 -0.035 0.000 1.238 716 I HN 0.052 nan 8.210 nan 0.000 0.426 717 G N 7.910 116.693 108.800 -0.029 0.000 2.415 717 G HA2 0.679 4.639 3.960 0.001 0.000 0.327 717 G HA3 0.679 4.639 3.960 0.001 0.000 0.327 717 G C -1.057 173.823 174.900 -0.033 0.000 1.182 717 G CA -0.544 44.539 45.100 -0.027 0.000 0.924 717 G HN 0.563 nan 8.290 nan 0.000 0.470 718 I N 1.847 122.393 120.570 -0.040 0.000 2.410 718 I HA 0.491 4.662 4.170 0.001 0.000 0.286 718 I C 0.439 176.537 176.117 -0.032 0.000 1.009 718 I CA -0.786 60.484 61.300 -0.051 0.000 1.111 718 I CB 1.995 39.938 38.000 -0.096 0.000 1.262 718 I HN 0.530 nan 8.210 nan 0.000 0.443 719 A N 7.574 130.383 122.820 -0.019 0.000 2.306 719 A HA 0.771 5.091 4.320 0.001 0.000 0.314 719 A C 0.069 177.655 177.584 0.004 0.000 1.164 719 A CA -0.680 51.356 52.037 -0.001 0.000 0.822 719 A CB 0.735 19.738 19.000 0.004 0.000 1.130 719 A HN 0.615 nan 8.150 nan 0.000 0.496 720 M N 2.197 121.811 119.600 0.023 0.000 2.239 720 M HA 0.119 4.599 4.480 0.001 0.000 0.348 720 M C 1.557 177.874 176.300 0.029 0.000 1.239 720 M CA 0.145 55.465 55.300 0.034 0.000 1.114 720 M CB 0.091 32.723 32.600 0.053 0.000 1.641 720 M HN 0.879 nan 8.290 nan 0.000 0.453 721 G N 1.470 110.289 108.800 0.031 0.000 2.443 721 G HA2 -0.119 3.842 3.960 0.001 0.000 0.219 721 G HA3 -0.119 3.842 3.960 0.001 0.000 0.219 721 G C 1.261 176.181 174.900 0.035 0.000 1.131 721 G CA 0.479 45.599 45.100 0.033 0.000 0.775 721 G HN 0.700 nan 8.290 nan 0.000 0.547 722 S N 0.354 116.078 115.700 0.039 0.000 2.561 722 S HA 0.204 4.675 4.470 0.001 0.000 0.225 722 S C 1.639 176.259 174.600 0.033 0.000 0.977 722 S CA 0.224 58.447 58.200 0.038 0.000 0.926 722 S CB 0.122 63.350 63.200 0.047 0.000 0.769 722 S HN 0.564 nan 8.310 nan 0.000 0.533 723 G N 1.698 110.517 108.800 0.032 0.000 2.494 723 G HA2 0.375 4.336 3.960 0.001 0.000 0.270 723 G HA3 0.375 4.336 3.960 0.001 0.000 0.270 723 G C 0.178 175.092 174.900 0.023 0.000 1.423 723 G CA -0.189 44.930 45.100 0.030 0.000 1.055 723 G HN 0.374 nan 8.290 nan 0.000 0.536 724 T N -3.093 111.475 114.554 0.024 0.000 2.904 724 T HA 0.488 4.839 4.350 0.001 0.000 0.290 724 T C 1.588 176.298 174.700 0.017 0.000 1.018 724 T CA 0.440 62.552 62.100 0.020 0.000 1.075 724 T CB 1.494 70.376 68.868 0.024 0.000 0.986 724 T HN 0.870 nan 8.240 nan 0.000 0.523 725 A N 2.005 124.834 122.820 0.014 0.000 1.908 725 A HA -0.040 4.281 4.320 0.001 0.000 0.218 725 A C 2.442 180.034 177.584 0.013 0.000 1.181 725 A CA 2.035 54.080 52.037 0.013 0.000 0.627 725 A CB -1.366 17.641 19.000 0.012 0.000 0.818 725 A HN 1.358 nan 8.150 nan 0.000 0.445 726 V N -1.050 118.873 119.914 0.015 0.000 2.427 726 V HA -0.062 4.058 4.120 0.001 0.000 0.248 726 V C 2.489 178.590 176.094 0.013 0.000 1.051 726 V CA 2.236 64.545 62.300 0.014 0.000 1.048 726 V CB -0.991 30.843 31.823 0.017 0.000 0.666 726 V HN 0.581 nan 8.190 nan 0.000 0.456 727 A N 0.378 123.207 122.820 0.016 0.000 1.877 727 A HA -0.192 4.129 4.320 0.001 0.000 0.216 727 A C 2.286 179.876 177.584 0.010 0.000 1.186 727 A CA 2.135 54.181 52.037 0.015 0.000 0.620 727 A CB -0.628 18.385 19.000 0.021 0.000 0.822 727 A HN 0.643 nan 8.150 nan 0.000 0.443 728 K N -0.914 119.492 120.400 0.010 0.000 2.057 728 K HA -0.096 4.224 4.320 0.001 0.000 0.207 728 K C 2.058 178.659 176.600 0.003 0.000 1.049 728 K CA 1.681 57.971 56.287 0.006 0.000 0.931 728 K CB -0.448 32.057 32.500 0.008 0.000 0.714 728 K HN 0.451 nan 8.250 nan 0.000 0.440 729 T N 1.056 115.613 114.554 0.004 0.000 2.759 729 T HA -0.138 4.212 4.350 0.001 0.000 0.269 729 T C 1.793 176.493 174.700 -0.001 0.000 1.042 729 T CA 1.442 63.544 62.100 0.002 0.000 1.140 729 T CB -0.144 68.727 68.868 0.005 0.000 0.864 729 T HN 0.325 nan 8.240 nan 0.000 0.455 730 A N 0.931 123.750 122.820 -0.001 0.000 2.238 730 A HA 0.334 4.654 4.320 0.001 0.000 0.208 730 A C 1.206 178.785 177.584 -0.008 0.000 1.177 730 A CA -0.053 51.981 52.037 -0.004 0.000 0.804 730 A CB 0.014 19.012 19.000 -0.003 0.000 0.823 730 A HN 0.377 nan 8.150 nan 0.000 0.482 731 S N -0.676 115.020 115.700 -0.008 0.000 2.651 731 S HA 0.421 4.891 4.470 0.001 0.000 0.291 731 S C 0.263 174.853 174.600 -0.015 0.000 1.141 731 S CA -0.477 57.716 58.200 -0.012 0.000 1.027 731 S CB 1.493 64.686 63.200 -0.012 0.000 1.043 731 S HN 0.333 nan 8.310 nan 0.000 0.530 732 E N 0.454 120.642 120.200 -0.020 0.000 2.415 732 E HA 0.272 4.622 4.350 0.001 0.000 0.197 732 E C 0.095 176.680 176.600 -0.025 0.000 1.007 732 E CA 0.293 56.679 56.400 -0.022 0.000 0.890 732 E CB 0.346 30.032 29.700 -0.024 0.000 0.891 732 E HN 0.537 nan 8.360 nan 0.000 0.496 733 M N 0.137 119.720 119.600 -0.028 0.000 2.365 733 M HA 0.336 4.816 4.480 0.001 0.000 0.287 733 M C -1.923 174.359 176.300 -0.030 0.000 1.154 733 M CA -0.675 54.606 55.300 -0.032 0.000 0.941 733 M CB 1.717 34.291 32.600 -0.042 0.000 1.704 733 M HN -0.293 nan 8.290 nan 0.000 0.479 734 V N 5.469 125.369 119.914 -0.023 0.000 2.398 734 V HA 0.403 4.523 4.120 0.001 0.000 0.286 734 V C -0.181 175.902 176.094 -0.018 0.000 1.026 734 V CA -0.611 61.679 62.300 -0.015 0.000 0.868 734 V CB 1.678 33.499 31.823 -0.003 0.000 0.982 734 V HN 0.808 nan 8.190 nan 0.000 0.443 735 L N 4.627 125.838 121.223 -0.018 0.000 2.389 735 L HA 0.295 4.636 4.340 0.001 0.000 0.265 735 L C 1.741 178.616 176.870 0.009 0.000 1.167 735 L CA -0.189 54.641 54.840 -0.016 0.000 1.045 735 L CB 0.407 42.450 42.059 -0.026 0.000 1.351 735 L HN 0.873 nan 8.230 nan 0.000 0.419 736 A N 1.109 123.937 122.820 0.014 0.000 1.948 736 A HA -0.256 4.064 4.320 0.001 0.000 0.220 736 A C 1.960 179.573 177.584 0.049 0.000 1.177 736 A CA 1.983 54.044 52.037 0.041 0.000 0.636 736 A CB -0.243 18.789 19.000 0.054 0.000 0.815 736 A HN 0.666 nan 8.150 nan 0.000 0.449 737 D N -1.276 119.138 120.400 0.024 0.000 2.218 737 D HA -0.113 4.528 4.640 0.001 0.000 0.204 737 D C 0.241 176.563 176.300 0.038 0.000 0.976 737 D CA 1.261 55.274 54.000 0.022 0.000 0.853 737 D CB -0.158 40.640 40.800 -0.003 0.000 0.939 737 D HN 0.385 nan 8.370 nan 0.000 0.481 738 D N -1.105 119.318 120.400 0.038 0.000 3.046 738 D HA -0.244 4.397 4.640 0.001 0.000 0.210 738 D C -0.478 175.867 176.300 0.074 0.000 1.124 738 D CA 0.662 54.695 54.000 0.056 0.000 0.986 738 D CB -1.844 38.993 40.800 0.061 0.000 1.118 738 D HN 0.349 nan 8.370 nan 0.000 0.416 739 N N 0.163 118.895 118.700 0.053 0.000 2.402 739 N HA 0.143 4.884 4.740 0.001 0.000 0.252 739 N C 0.721 176.282 175.510 0.084 0.000 1.118 739 N CA -0.119 52.973 53.050 0.071 0.000 0.945 739 N CB -0.142 38.368 38.487 0.037 0.000 1.147 739 N HN 0.033 nan 8.380 nan 0.000 0.495 740 F N 2.898 122.846 119.950 -0.003 0.000 2.192 740 F HA -0.225 4.303 4.527 0.001 0.000 0.301 740 F C 2.166 177.962 175.800 -0.007 0.000 1.079 740 F CA 1.345 59.342 58.000 -0.005 0.000 1.303 740 F CB 0.012 39.008 39.000 -0.006 0.000 1.024 740 F HN 0.506 nan 8.300 nan 0.000 0.494 741 S N -0.543 115.244 115.700 0.145 0.000 2.365 741 S HA -0.257 4.213 4.470 0.001 0.000 0.225 741 S C 1.935 176.523 174.600 -0.020 0.000 1.039 741 S CA 1.924 60.166 58.200 0.070 0.000 1.033 741 S CB -0.815 62.421 63.200 0.061 0.000 0.887 741 S HN 0.489 nan 8.310 nan 0.000 0.447 742 T N 2.725 117.255 114.554 -0.041 0.000 2.760 742 T HA -0.142 4.208 4.350 0.001 0.000 0.269 742 T C 1.627 176.266 174.700 -0.101 0.000 1.047 742 T CA 1.386 63.449 62.100 -0.063 0.000 1.139 742 T CB -0.621 68.210 68.868 -0.061 0.000 0.855 742 T HN 0.386 nan 8.240 nan 0.000 0.471 743 I N 0.608 121.071 120.570 -0.179 0.000 2.194 743 I HA -0.186 3.984 4.170 0.001 0.000 0.246 743 I C 2.467 178.507 176.117 -0.129 0.000 1.093 743 I CA 1.090 62.262 61.300 -0.213 0.000 1.355 743 I CB -0.565 37.184 38.000 -0.418 0.000 1.046 743 I HN 0.131 nan 8.210 nan 0.000 0.413 744 V N 0.910 120.770 119.914 -0.091 0.000 2.358 744 V HA -0.250 3.870 4.120 0.001 0.000 0.246 744 V C 2.732 178.806 176.094 -0.033 0.000 1.047 744 V CA 1.883 64.159 62.300 -0.040 0.000 1.035 744 V CB -0.942 30.880 31.823 -0.001 0.000 0.658 744 V HN 0.490 nan 8.190 nan 0.000 0.452 745 A N 0.152 122.953 122.820 -0.033 0.000 1.908 745 A HA -0.173 4.147 4.320 0.001 0.000 0.218 745 A C 2.436 180.000 177.584 -0.033 0.000 1.181 745 A CA 2.237 54.258 52.037 -0.026 0.000 0.627 745 A CB -0.832 18.153 19.000 -0.024 0.000 0.818 745 A HN 0.577 nan 8.150 nan 0.000 0.445 746 A N -0.516 122.276 122.820 -0.047 0.000 1.908 746 A HA -0.030 4.290 4.320 0.001 0.000 0.218 746 A C 2.232 179.791 177.584 -0.042 0.000 1.181 746 A CA 1.915 53.923 52.037 -0.049 0.000 0.627 746 A CB -0.995 17.967 19.000 -0.064 0.000 0.818 746 A HN 0.457 nan 8.150 nan 0.000 0.445 747 V N 0.011 119.899 119.914 -0.044 0.000 2.343 747 V HA -0.275 3.845 4.120 0.001 0.000 0.247 747 V C 2.507 178.587 176.094 -0.024 0.000 1.051 747 V CA 2.265 64.543 62.300 -0.036 0.000 1.036 747 V CB -0.806 30.996 31.823 -0.035 0.000 0.654 747 V HN 0.731 nan 8.190 nan 0.000 0.451 748 E N -0.066 120.123 120.200 -0.018 0.000 2.058 748 E HA -0.265 4.085 4.350 0.001 0.000 0.194 748 E C 2.349 178.945 176.600 -0.007 0.000 0.997 748 E CA 1.300 57.695 56.400 -0.008 0.000 0.801 748 E CB -0.081 29.616 29.700 -0.005 0.000 0.746 748 E HN 0.508 nan 8.360 nan 0.000 0.450 749 E N -0.285 119.905 120.200 -0.016 0.000 2.118 749 E HA -0.155 4.195 4.350 0.001 0.000 0.195 749 E C 1.951 178.543 176.600 -0.014 0.000 0.992 749 E CA 1.185 57.573 56.400 -0.020 0.000 0.804 749 E CB -0.414 29.268 29.700 -0.031 0.000 0.741 749 E HN 0.419 nan 8.360 nan 0.000 0.458 750 G N 0.357 109.149 108.800 -0.014 0.000 2.443 750 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 750 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 750 G C 1.697 176.610 174.900 0.021 0.000 1.131 750 G CA 0.265 45.362 45.100 -0.005 0.000 0.775 750 G HN 0.188 nan 8.290 nan 0.000 0.547 751 R N 0.199 120.710 120.500 0.018 0.000 2.127 751 R HA 0.223 4.563 4.340 0.001 0.000 0.217 751 R C 2.975 179.326 176.300 0.085 0.000 1.074 751 R CA 0.756 56.883 56.100 0.045 0.000 0.991 751 R CB -0.183 30.129 30.300 0.020 0.000 0.895 751 R HN 0.311 nan 8.270 nan 0.000 0.450 752 A N 1.935 124.782 122.820 0.045 0.000 1.845 752 A HA -0.158 4.162 4.320 0.001 0.000 0.215 752 A C 2.043 179.646 177.584 0.032 0.000 1.195 752 A CA 1.204 53.260 52.037 0.032 0.000 0.616 752 A CB -0.431 18.570 19.000 0.002 0.000 0.832 752 A HN 0.066 nan 8.150 nan 0.000 0.443 753 I N -1.439 119.142 120.570 0.018 0.000 2.145 753 I HA -0.285 3.886 4.170 0.001 0.000 0.244 753 I C 2.394 178.536 176.117 0.043 0.000 1.075 753 I CA 1.858 63.158 61.300 0.000 0.000 1.332 753 I CB -1.699 36.298 38.000 -0.004 0.000 1.033 753 I HN 0.528 nan 8.210 nan 0.000 0.410 754 Y N 2.229 122.515 120.300 -0.024 0.000 2.089 754 Y HA -0.259 4.292 4.550 0.001 0.000 0.282 754 Y C 2.466 178.374 175.900 0.013 0.000 1.139 754 Y CA 2.259 60.355 58.100 -0.008 0.000 1.123 754 Y CB -0.710 37.747 38.460 -0.006 0.000 0.980 754 Y HN 0.286 nan 8.280 nan 0.000 0.493 755 N N -0.186 118.587 118.700 0.122 0.000 2.192 755 N HA -0.226 4.514 4.740 0.001 0.000 0.188 755 N C 1.246 176.759 175.510 0.007 0.000 1.013 755 N CA 1.100 54.183 53.050 0.054 0.000 0.863 755 N CB -0.231 38.313 38.487 0.094 0.000 0.990 755 N HN 0.385 nan 8.380 nan 0.000 0.430 756 N N 0.588 119.290 118.700 0.003 0.000 2.188 756 N HA -0.045 4.695 4.740 0.001 0.000 0.184 756 N C 1.516 177.036 175.510 0.018 0.000 1.018 756 N CA 0.898 53.954 53.050 0.010 0.000 0.858 756 N CB -0.131 38.340 38.487 -0.026 0.000 0.989 756 N HN 0.253 nan 8.380 nan 0.000 0.426 757 M N 0.892 120.454 119.600 -0.063 0.000 2.175 757 M HA -0.029 4.452 4.480 0.001 0.000 0.264 757 M C 1.634 177.928 176.300 -0.011 0.000 1.063 757 M CA 1.070 56.334 55.300 -0.060 0.000 1.119 757 M CB -0.593 31.904 32.600 -0.172 0.000 1.377 757 M HN 0.020 nan 8.290 nan 0.000 0.415 758 K N 0.436 120.759 120.400 -0.128 0.000 1.978 758 K HA -0.165 4.156 4.320 0.001 0.000 0.214 758 K C 1.994 178.639 176.600 0.075 0.000 1.049 758 K CA 1.458 57.706 56.287 -0.065 0.000 0.939 758 K CB -0.775 31.675 32.500 -0.083 0.000 0.721 758 K HN 0.257 nan 8.250 nan 0.000 0.441 759 Q N 0.151 120.005 119.800 0.090 0.000 2.112 759 Q HA -0.119 4.221 4.340 0.001 0.000 0.206 759 Q C 1.904 177.999 176.000 0.159 0.000 0.987 759 Q CA 1.324 57.199 55.803 0.119 0.000 0.858 759 Q CB -0.587 28.207 28.738 0.094 0.000 0.905 759 Q HN 0.341 nan 8.270 nan 0.000 0.420 760 F N -0.104 119.876 119.950 0.051 0.000 2.161 760 F HA -0.214 4.314 4.527 0.001 0.000 0.300 760 F C 1.555 177.408 175.800 0.088 0.000 1.089 760 F CA 1.002 59.054 58.000 0.086 0.000 1.282 760 F CB 0.023 39.053 39.000 0.049 0.000 1.010 760 F HN 0.046 nan 8.300 nan 0.000 0.485 761 I N 0.288 120.946 120.570 0.148 0.000 2.286 761 I HA -0.188 3.982 4.170 0.001 0.000 0.245 761 I C 2.562 178.592 176.117 -0.144 0.000 1.104 761 I CA 1.105 62.429 61.300 0.040 0.000 1.397 761 I CB -1.282 36.800 38.000 0.137 0.000 1.072 761 I HN 0.171 nan 8.210 nan 0.000 0.417 762 R N 0.260 120.739 120.500 -0.035 0.000 2.091 762 R HA -0.243 4.098 4.340 0.001 0.000 0.238 762 R C 2.349 178.565 176.300 -0.140 0.000 1.136 762 R CA 1.603 57.663 56.100 -0.067 0.000 0.959 762 R CB -0.778 29.649 30.300 0.212 0.000 0.856 762 R HN 0.301 nan 8.270 nan 0.000 0.437 763 Y N 1.048 121.234 120.300 -0.190 0.000 2.060 763 Y HA -0.226 4.325 4.550 0.001 0.000 0.276 763 Y C 2.192 177.920 175.900 -0.286 0.000 1.127 763 Y CA 1.597 59.572 58.100 -0.208 0.000 1.104 763 Y CB -0.946 37.398 38.460 -0.194 0.000 0.983 763 Y HN -0.017 nan 8.280 nan 0.000 0.483 764 L N 0.318 121.186 121.223 -0.592 0.000 2.089 764 L HA -0.296 4.044 4.340 0.001 0.000 0.213 764 L C 2.410 178.993 176.870 -0.479 0.000 1.079 764 L CA 1.860 56.310 54.840 -0.650 0.000 0.758 764 L CB -0.749 40.956 42.059 -0.589 0.000 0.891 764 L HN 0.407 nan 8.230 nan 0.000 0.433 765 I N -1.823 118.477 120.570 -0.450 0.000 2.235 765 I HA -0.227 3.944 4.170 0.001 0.000 0.241 765 I C 2.552 178.431 176.117 -0.397 0.000 1.085 765 I CA 1.174 62.218 61.300 -0.427 0.000 1.378 765 I CB -0.535 37.124 38.000 -0.568 0.000 1.076 765 I HN 0.342 nan 8.210 nan 0.000 0.415 766 S N 0.413 115.850 115.700 -0.439 0.000 2.387 766 S HA -0.184 4.286 4.470 0.001 0.000 0.230 766 S C 2.077 176.548 174.600 -0.215 0.000 1.035 766 S CA 1.769 59.821 58.200 -0.247 0.000 1.014 766 S CB -0.611 62.508 63.200 -0.135 0.000 0.836 766 S HN 0.335 nan 8.310 nan 0.000 0.466 767 S N 2.942 118.458 115.700 -0.307 0.000 2.336 767 S HA -0.013 4.457 4.470 0.001 0.000 0.214 767 S C 1.876 176.330 174.600 -0.242 0.000 1.032 767 S CA 1.121 59.138 58.200 -0.304 0.000 1.001 767 S CB -0.769 62.100 63.200 -0.551 0.000 0.953 767 S HN 0.567 nan 8.310 nan 0.000 0.430 768 N N 1.210 119.744 118.700 -0.277 0.000 2.334 768 N HA -0.073 4.667 4.740 0.001 0.000 0.187 768 N C 1.528 176.962 175.510 -0.127 0.000 1.016 768 N CA 0.562 53.498 53.050 -0.190 0.000 0.879 768 N CB -0.614 37.757 38.487 -0.193 0.000 0.965 768 N HN 0.154 nan 8.380 nan 0.000 0.438 769 V N 0.281 120.114 119.914 -0.136 0.000 2.323 769 V HA -0.081 4.039 4.120 0.001 0.000 0.244 769 V C 2.337 178.388 176.094 -0.071 0.000 1.041 769 V CA 1.910 64.154 62.300 -0.093 0.000 1.025 769 V CB -1.011 30.750 31.823 -0.104 0.000 0.656 769 V HN 0.335 nan 8.190 nan 0.000 0.451 770 G N -0.826 107.924 108.800 -0.084 0.000 2.450 770 G HA2 -0.258 3.703 3.960 0.001 0.000 0.220 770 G HA3 -0.258 3.703 3.960 0.001 0.000 0.220 770 G C 1.436 176.308 174.900 -0.046 0.000 1.130 770 G CA 0.948 46.010 45.100 -0.063 0.000 0.760 770 G HN 0.566 nan 8.290 nan 0.000 0.557 771 E N -0.343 119.826 120.200 -0.053 0.000 2.051 771 E HA -0.079 4.271 4.350 0.001 0.000 0.192 771 E C 2.753 179.360 176.600 0.012 0.000 0.991 771 E CA 1.027 57.407 56.400 -0.033 0.000 0.799 771 E CB -0.072 29.596 29.700 -0.052 0.000 0.748 771 E HN 0.311 nan 8.360 nan 0.000 0.449 772 V N 1.118 121.052 119.914 0.034 0.000 2.307 772 V HA -0.194 3.926 4.120 0.001 0.000 0.245 772 V C 2.449 178.661 176.094 0.197 0.000 1.045 772 V CA 1.648 64.029 62.300 0.135 0.000 1.024 772 V CB -0.388 31.506 31.823 0.118 0.000 0.651 772 V HN 0.316 nan 8.190 nan 0.000 0.449 773 V N -2.033 117.936 119.914 0.092 0.000 3.383 773 V HA -0.163 3.957 4.120 0.001 0.000 0.272 773 V C 2.118 178.256 176.094 0.073 0.000 1.181 773 V CA 1.707 64.059 62.300 0.086 0.000 1.171 773 V CB -1.361 30.467 31.823 0.008 0.000 0.800 773 V HN 0.618 nan 8.190 nan 0.000 0.515 774 C N -0.377 118.952 119.300 0.049 0.000 2.492 774 C HA 0.190 4.650 4.460 0.001 0.000 0.279 774 C C 2.330 177.339 174.990 0.031 0.000 1.335 774 C CA 0.803 59.831 59.018 0.017 0.000 1.734 774 C CB -0.718 27.015 27.740 -0.012 0.000 2.027 774 C HN 0.606 nan 8.230 nan 0.000 0.496 775 I N -0.252 120.347 120.570 0.048 0.000 2.277 775 I HA -0.009 4.162 4.170 0.001 0.000 0.243 775 I C 2.097 178.192 176.117 -0.037 0.000 1.094 775 I CA 1.467 62.760 61.300 -0.013 0.000 1.393 775 I CB -0.477 37.486 38.000 -0.061 0.000 1.078 775 I HN 0.198 nan 8.210 nan 0.000 0.417 776 F N 0.192 120.153 119.950 0.018 0.000 2.293 776 F HA -0.183 4.344 4.527 0.000 0.000 0.300 776 F C 2.158 177.969 175.800 0.019 0.000 1.086 776 F CA 0.951 58.966 58.000 0.024 0.000 1.375 776 F CB -0.222 38.791 39.000 0.021 0.000 1.045 776 F HN 0.037 nan 8.300 nan 0.000 0.516 777 L N -0.730 120.591 121.223 0.164 0.000 2.313 777 L HA -0.053 4.288 4.340 0.001 0.000 0.214 777 L C 2.036 178.941 176.870 0.058 0.000 1.119 777 L CA 1.627 56.522 54.840 0.091 0.000 0.809 777 L CB -0.985 41.107 42.059 0.054 0.000 0.933 777 L HN -0.013 nan 8.230 nan 0.000 0.449 778 T N -0.428 114.152 114.554 0.043 0.000 2.735 778 T HA -0.034 4.317 4.350 0.001 0.000 0.256 778 T C 1.869 176.590 174.700 0.035 0.000 1.042 778 T CA 1.216 63.333 62.100 0.028 0.000 1.147 778 T CB -0.380 68.494 68.868 0.009 0.000 0.865 778 T HN 0.447 nan 8.240 nan 0.000 0.421 779 A N 1.182 124.011 122.820 0.015 0.000 2.019 779 A HA 0.179 4.499 4.320 0.001 0.000 0.219 779 A C 2.454 180.068 177.584 0.049 0.000 1.164 779 A CA 1.767 53.818 52.037 0.024 0.000 0.644 779 A CB -0.792 18.184 19.000 -0.039 0.000 0.805 779 A HN 0.503 nan 8.150 nan 0.000 0.449 780 A N -0.786 122.070 122.820 0.061 0.000 1.975 780 A HA 0.247 4.568 4.320 0.001 0.000 0.215 780 A C 1.860 179.470 177.584 0.044 0.000 1.170 780 A CA 0.900 52.976 52.037 0.065 0.000 0.656 780 A CB -0.279 18.775 19.000 0.090 0.000 0.821 780 A HN 0.427 nan 8.150 nan 0.000 0.449 781 L N -1.268 119.978 121.223 0.040 0.000 2.592 781 L HA 0.194 4.535 4.340 0.001 0.000 0.227 781 L C 1.810 178.690 176.870 0.016 0.000 1.127 781 L CA 0.569 55.423 54.840 0.024 0.000 0.884 781 L CB -0.048 42.027 42.059 0.027 0.000 1.065 781 L HN 0.574 nan 8.230 nan 0.000 0.457 782 G N 0.270 109.094 108.800 0.040 0.000 2.267 782 G HA2 -0.293 3.667 3.960 0.001 0.000 0.257 782 G HA3 -0.293 3.667 3.960 0.001 0.000 0.257 782 G C 0.526 175.513 174.900 0.145 0.000 0.998 782 G CA 0.028 45.167 45.100 0.065 0.000 0.620 782 G HN 0.213 nan 8.290 nan 0.000 0.529 783 L N 2.447 123.726 121.223 0.093 0.000 2.503 783 L HA 0.207 4.548 4.340 0.001 0.000 0.287 783 L C -0.745 176.115 176.870 -0.017 0.000 1.252 783 L CA -0.962 53.918 54.840 0.067 0.000 0.835 783 L CB -0.217 41.889 42.059 0.077 0.000 1.099 783 L HN 0.136 nan 8.230 nan 0.000 0.516 784 P HA 0.040 nan 4.420 nan 0.000 0.274 784 P C -0.895 176.329 177.300 -0.126 0.000 1.256 784 P CA -0.573 62.198 63.100 -0.549 0.000 0.795 784 P CB 0.303 31.469 31.700 -0.890 0.000 1.038 785 E N 0.005 120.175 120.200 -0.051 0.000 2.829 785 E HA -0.086 4.265 4.350 0.001 0.000 0.264 785 E C 1.149 177.753 176.600 0.007 0.000 0.922 785 E CA 0.488 56.903 56.400 0.026 0.000 0.960 785 E CB -0.218 29.535 29.700 0.089 0.000 0.918 785 E HN 0.504 nan 8.360 nan 0.000 0.497 786 A N 4.062 126.883 122.820 0.001 0.000 1.943 786 A HA 0.182 4.502 4.320 0.001 0.000 0.213 786 A C 0.882 178.458 177.584 -0.015 0.000 1.181 786 A CA 0.724 52.753 52.037 -0.013 0.000 0.653 786 A CB 0.316 19.306 19.000 -0.017 0.000 0.833 786 A HN 0.496 nan 8.150 nan 0.000 0.451 787 L N -1.652 119.567 121.223 -0.007 0.000 2.510 787 L HA 0.601 4.941 4.340 0.001 0.000 0.252 787 L C -0.850 176.020 176.870 -0.001 0.000 1.091 787 L CA -1.093 53.746 54.840 -0.003 0.000 0.888 787 L CB 1.926 43.981 42.059 -0.006 0.000 1.507 787 L HN 0.416 nan 8.230 nan 0.000 0.407 788 I N -3.717 116.854 120.570 0.001 0.000 3.145 788 I HA 0.562 4.732 4.170 0.001 0.000 0.313 788 I C -2.382 173.695 176.117 -0.066 0.000 1.122 788 I CA -2.192 59.102 61.300 -0.011 0.000 0.987 788 I CB 1.909 39.944 38.000 0.058 0.000 1.236 788 I HN 0.249 nan 8.210 nan 0.000 0.453 789 P HA -0.227 nan 4.420 nan 0.000 0.212 789 P C 1.833 179.096 177.300 -0.061 0.000 1.174 789 P CA 2.361 65.374 63.100 -0.146 0.000 0.934 789 P CB -0.188 31.409 31.700 -0.173 0.000 0.791 790 V N -2.380 117.504 119.914 -0.049 0.000 2.490 790 V HA -0.271 3.849 4.120 0.001 0.000 0.250 790 V C 2.240 178.400 176.094 0.110 0.000 1.061 790 V CA 1.764 64.051 62.300 -0.022 0.000 1.064 790 V CB -1.945 29.767 31.823 -0.185 0.000 0.670 790 V HN 0.096 nan 8.190 nan 0.000 0.461 791 Q N -0.165 119.694 119.800 0.098 0.000 2.291 791 Q HA -0.013 4.328 4.340 0.001 0.000 0.206 791 Q C 2.176 178.285 176.000 0.182 0.000 0.976 791 Q CA 1.626 57.536 55.803 0.179 0.000 0.875 791 Q CB -0.189 28.610 28.738 0.101 0.000 0.927 791 Q HN 0.679 nan 8.270 nan 0.000 0.450 792 L N -0.407 120.873 121.223 0.095 0.000 2.084 792 L HA -0.126 4.214 4.340 0.001 0.000 0.202 792 L C 2.123 179.046 176.870 0.088 0.000 1.074 792 L CA 0.662 55.537 54.840 0.058 0.000 0.757 792 L CB -0.394 41.657 42.059 -0.013 0.000 0.918 792 L HN 0.244 nan 8.230 nan 0.000 0.444 793 L N -1.050 120.230 121.223 0.095 0.000 2.043 793 L HA -0.310 4.030 4.340 0.001 0.000 0.212 793 L C 2.503 179.489 176.870 0.193 0.000 1.075 793 L CA 1.675 56.580 54.840 0.109 0.000 0.752 793 L CB -0.832 41.288 42.059 0.102 0.000 0.891 793 L HN 0.550 nan 8.230 nan 0.000 0.432 794 W N 0.643 122.019 121.300 0.128 0.000 2.352 794 W HA -0.233 4.427 4.660 0.001 0.000 0.322 794 W C 2.504 179.084 176.519 0.102 0.000 1.208 794 W CA 2.008 59.466 57.345 0.188 0.000 1.286 794 W CB -0.446 29.203 29.460 0.314 0.000 1.167 794 W HN -0.025 nan 8.180 nan 0.000 0.469 795 V N 2.017 122.017 119.914 0.143 0.000 2.380 795 V HA -0.373 3.748 4.120 0.001 0.000 0.251 795 V C 2.217 178.245 176.094 -0.109 0.000 1.063 795 V CA 2.835 65.118 62.300 -0.029 0.000 1.055 795 V CB -0.971 30.870 31.823 0.030 0.000 0.657 795 V HN 0.394 nan 8.190 nan 0.000 0.455 796 N N 0.349 119.013 118.700 -0.060 0.000 1.997 796 N HA -0.254 4.486 4.740 0.001 0.000 0.198 796 N C 1.888 177.329 175.510 -0.117 0.000 1.063 796 N CA 2.798 55.804 53.050 -0.075 0.000 0.860 796 N CB -0.661 37.806 38.487 -0.034 0.000 1.063 796 N HN 0.516 nan 8.380 nan 0.000 0.424 797 L N -0.410 120.732 121.223 -0.135 0.000 2.263 797 L HA -0.082 4.258 4.340 0.001 0.000 0.216 797 L C 1.348 178.062 176.870 -0.259 0.000 1.111 797 L CA 1.112 55.849 54.840 -0.171 0.000 0.773 797 L CB -0.007 41.954 42.059 -0.163 0.000 0.906 797 L HN 0.198 nan 8.230 nan 0.000 0.439 798 V N -1.032 118.664 119.914 -0.365 0.000 3.565 798 V HA -0.043 4.077 4.120 0.001 0.000 0.260 798 V C 2.182 178.177 176.094 -0.165 0.000 1.231 798 V CA 1.332 63.417 62.300 -0.358 0.000 1.100 798 V CB 0.281 31.744 31.823 -0.600 0.000 0.807 798 V HN 0.735 nan 8.190 nan 0.000 0.454 799 T N -4.349 110.134 114.554 -0.119 0.000 2.969 799 T HA 0.099 4.450 4.350 0.001 0.000 0.250 799 T C 0.714 175.431 174.700 0.028 0.000 1.021 799 T CA 0.228 62.318 62.100 -0.015 0.000 1.003 799 T CB 0.163 68.996 68.868 -0.059 0.000 1.040 799 T HN 0.306 nan 8.240 nan 0.000 0.492 800 D N 1.533 121.911 120.400 -0.037 0.000 2.755 800 D HA 0.424 5.064 4.640 0.001 0.000 0.257 800 D C 0.815 177.132 176.300 0.029 0.000 1.291 800 D CA -0.090 53.898 54.000 -0.020 0.000 0.836 800 D CB 0.822 41.576 40.800 -0.076 0.000 1.059 800 D HN 0.562 nan 8.370 nan 0.000 0.486 801 G N -0.275 108.546 108.800 0.035 0.000 3.407 801 G HA2 0.229 4.189 3.960 0.001 0.000 0.187 801 G HA3 0.229 4.189 3.960 0.001 0.000 0.187 801 G C 1.129 176.061 174.900 0.053 0.000 1.262 801 G CA -0.404 44.714 45.100 0.029 0.000 0.808 801 G HN 0.121 nan 8.290 nan 0.000 0.687 802 L N 1.201 122.429 121.223 0.007 0.000 2.081 802 L HA -0.069 4.272 4.340 0.001 0.000 0.212 802 L C -0.273 176.604 176.870 0.011 0.000 1.080 802 L CA 1.389 56.226 54.840 -0.005 0.000 0.754 802 L CB -1.255 40.779 42.059 -0.042 0.000 0.893 802 L HN 0.268 nan 8.230 nan 0.000 0.433 803 P HA -0.155 nan 4.420 nan 0.000 0.218 803 P C 1.429 178.718 177.300 -0.018 0.000 1.148 803 P CA 1.732 64.819 63.100 -0.022 0.000 0.822 803 P CB 0.066 31.755 31.700 -0.018 0.000 0.784 804 A N -1.023 121.871 122.820 0.122 0.000 1.855 804 A HA -0.094 4.226 4.320 0.001 0.000 0.213 804 A C 2.191 180.022 177.584 0.411 0.000 1.195 804 A CA 1.982 54.166 52.037 0.246 0.000 0.610 804 A CB -1.765 17.404 19.000 0.282 0.000 0.837 804 A HN 0.114 nan 8.150 nan 0.000 0.444 805 T N 0.890 115.644 114.554 0.332 0.000 2.737 805 T HA -0.132 4.218 4.350 0.001 0.000 0.269 805 T C 2.106 176.949 174.700 0.238 0.000 1.040 805 T CA 1.649 63.892 62.100 0.238 0.000 1.142 805 T CB -0.487 68.450 68.868 0.117 0.000 0.861 805 T HN 0.590 nan 8.240 nan 0.000 0.456 806 A N 1.295 124.207 122.820 0.154 0.000 1.978 806 A HA -0.029 4.292 4.320 0.001 0.000 0.220 806 A C 2.139 179.887 177.584 0.274 0.000 1.170 806 A CA 1.062 53.183 52.037 0.141 0.000 0.636 806 A CB -0.755 18.271 19.000 0.044 0.000 0.810 806 A HN 0.342 nan 8.150 nan 0.000 0.448 807 L N 0.049 121.399 121.223 0.211 0.000 2.081 807 L HA -0.169 4.171 4.340 0.001 0.000 0.212 807 L C 2.643 179.624 176.870 0.186 0.000 1.080 807 L CA 1.799 56.750 54.840 0.185 0.000 0.754 807 L CB -1.482 40.702 42.059 0.209 0.000 0.893 807 L HN 0.422 nan 8.230 nan 0.000 0.433 808 G N -2.119 106.789 108.800 0.181 0.000 2.537 808 G HA2 -0.283 3.677 3.960 0.001 0.000 0.220 808 G HA3 -0.283 3.677 3.960 0.001 0.000 0.220 808 G C 1.224 176.025 174.900 -0.166 0.000 1.111 808 G CA 0.491 45.575 45.100 -0.027 0.000 0.748 808 G HN 0.434 nan 8.290 nan 0.000 0.564 809 F N 0.279 120.220 119.950 -0.015 0.000 2.653 809 F HA 0.292 4.819 4.527 0.001 0.000 0.304 809 F C 0.673 176.509 175.800 0.061 0.000 1.092 809 F CA -1.002 56.998 58.000 0.001 0.000 1.279 809 F CB 0.179 39.160 39.000 -0.032 0.000 1.044 809 F HN -0.141 nan 8.300 nan 0.000 0.564 810 N N 3.621 122.425 118.700 0.173 0.000 2.412 810 N HA 0.026 4.766 4.740 0.001 0.000 0.254 810 N C -2.197 173.362 175.510 0.083 0.000 1.232 810 N CA -0.824 52.296 53.050 0.116 0.000 0.880 810 N CB 0.138 38.669 38.487 0.074 0.000 1.076 810 N HN 0.045 nan 8.380 nan 0.000 0.458 811 P HA 0.206 nan 4.420 nan 0.000 0.275 811 P C -2.533 174.788 177.300 0.036 0.000 1.266 811 P CA -0.921 62.215 63.100 0.059 0.000 0.793 811 P CB -0.428 31.306 31.700 0.057 0.000 1.074 812 P HA 0.083 nan 4.420 nan 0.000 0.271 812 P C 0.097 177.410 177.300 0.021 0.000 1.216 812 P CA 0.213 63.327 63.100 0.023 0.000 0.776 812 P CB 0.382 32.093 31.700 0.019 0.000 0.881 813 D N 1.267 121.682 120.400 0.024 0.000 2.364 813 D HA -0.028 4.613 4.640 0.001 0.000 0.236 813 D C 1.543 177.851 176.300 0.014 0.000 1.221 813 D CA 0.094 54.106 54.000 0.021 0.000 0.891 813 D CB 0.798 41.617 40.800 0.031 0.000 1.190 813 D HN 0.291 nan 8.370 nan 0.000 0.449 814 L N 0.748 121.976 121.223 0.008 0.000 2.275 814 L HA -0.138 4.203 4.340 0.001 0.000 0.215 814 L C 1.333 178.207 176.870 0.006 0.000 1.119 814 L CA 1.027 55.869 54.840 0.005 0.000 0.790 814 L CB -0.118 41.941 42.059 -0.000 0.000 0.919 814 L HN 0.457 nan 8.230 nan 0.000 0.443 815 D N -1.625 118.780 120.400 0.008 0.000 2.540 815 D HA -0.013 4.628 4.640 0.001 0.000 0.229 815 D C 1.775 178.080 176.300 0.009 0.000 1.250 815 D CA -0.162 53.842 54.000 0.006 0.000 0.817 815 D CB -0.042 40.759 40.800 0.002 0.000 1.060 815 D HN 0.247 nan 8.370 nan 0.000 0.508 816 I N 0.370 120.949 120.570 0.014 0.000 2.113 816 I HA -0.299 3.871 4.170 0.001 0.000 0.242 816 I C 1.143 177.266 176.117 0.010 0.000 1.057 816 I CA 1.438 62.749 61.300 0.018 0.000 1.314 816 I CB 0.157 38.171 38.000 0.022 0.000 1.022 816 I HN -0.066 nan 8.210 nan 0.000 0.408 817 M N -0.023 119.581 119.600 0.007 0.000 2.626 817 M HA 0.091 4.571 4.480 0.001 0.000 0.262 817 M C 0.210 176.511 176.300 0.002 0.000 1.256 817 M CA 0.698 56.000 55.300 0.004 0.000 0.981 817 M CB -0.698 31.905 32.600 0.005 0.000 1.492 817 M HN 0.276 nan 8.290 nan 0.000 0.474 818 D N -0.210 120.190 120.400 0.001 0.000 2.514 818 D HA 0.154 4.795 4.640 0.001 0.000 0.225 818 D C 0.423 176.720 176.300 -0.005 0.000 1.159 818 D CA 0.053 54.053 54.000 -0.001 0.000 0.823 818 D CB 1.480 42.279 40.800 -0.002 0.000 1.097 818 D HN 0.310 nan 8.370 nan 0.000 0.519 819 R N 2.044 122.541 120.500 -0.005 0.000 2.500 819 R HA 0.381 4.721 4.340 0.001 0.000 0.277 819 R C -2.301 173.993 176.300 -0.011 0.000 1.026 819 R CA -1.415 54.680 56.100 -0.008 0.000 1.058 819 R CB 0.680 30.977 30.300 -0.005 0.000 1.078 819 R HN -0.048 nan 8.270 nan 0.000 0.509 820 P HA 0.102 nan 4.420 nan 0.000 0.273 820 P C -2.427 174.860 177.300 -0.023 0.000 1.250 820 P CA -1.170 61.920 63.100 -0.016 0.000 0.793 820 P CB -0.419 31.271 31.700 -0.017 0.000 1.011 821 P HA 0.095 nan 4.420 nan 0.000 0.269 821 P C -0.011 177.255 177.300 -0.056 0.000 1.209 821 P CA -0.038 63.036 63.100 -0.043 0.000 0.776 821 P CB 0.459 32.136 31.700 -0.037 0.000 0.876 822 R N 2.160 122.604 120.500 -0.092 0.000 2.404 822 R HA 0.123 4.464 4.340 0.001 0.000 0.315 822 R C 0.252 176.491 176.300 -0.101 0.000 1.032 822 R CA -0.151 55.878 56.100 -0.118 0.000 0.992 822 R CB -0.160 29.998 30.300 -0.237 0.000 0.959 822 R HN 0.435 nan 8.270 nan 0.000 0.428 823 S N 5.702 121.365 115.700 -0.062 0.000 2.626 823 S HA 0.029 4.499 4.470 0.001 0.000 0.303 823 S C -1.183 173.385 174.600 -0.053 0.000 1.256 823 S CA -1.224 56.950 58.200 -0.042 0.000 1.069 823 S CB 0.800 63.987 63.200 -0.021 0.000 0.807 823 S HN 0.680 nan 8.310 nan 0.000 0.500 824 P HA -0.072 nan 4.420 nan 0.000 0.228 824 P C 0.724 178.010 177.300 -0.022 0.000 1.151 824 P CA 0.725 63.799 63.100 -0.043 0.000 0.770 824 P CB 0.167 31.851 31.700 -0.027 0.000 0.786 825 K N 0.596 120.989 120.400 -0.012 0.000 2.044 825 K HA -0.052 4.268 4.320 0.001 0.000 0.204 825 K C 1.026 177.628 176.600 0.003 0.000 1.049 825 K CA 0.237 56.524 56.287 -0.000 0.000 0.945 825 K CB -0.903 31.600 32.500 0.005 0.000 0.724 825 K HN 0.321 nan 8.250 nan 0.000 0.440 826 E N 3.698 123.897 120.200 -0.001 0.000 3.131 826 E HA -0.103 4.248 4.350 0.001 0.000 0.258 826 E C -2.066 174.552 176.600 0.029 0.000 0.901 826 E CA -0.751 55.657 56.400 0.013 0.000 0.964 826 E CB 0.273 29.975 29.700 0.004 0.000 0.903 826 E HN 0.012 nan 8.360 nan 0.000 0.537 827 P HA -0.024 nan 4.420 nan 0.000 0.278 827 P C 0.618 177.946 177.300 0.046 0.000 1.238 827 P CA -0.492 62.628 63.100 0.032 0.000 0.794 827 P CB 1.049 32.761 31.700 0.020 0.000 0.955 828 L N 3.266 124.500 121.223 0.018 0.000 1.951 828 L HA -0.122 4.219 4.340 0.001 0.000 0.222 828 L C 0.931 177.772 176.870 -0.047 0.000 1.078 828 L CA 2.023 56.848 54.840 -0.026 0.000 0.778 828 L CB -0.731 41.217 42.059 -0.184 0.000 0.893 828 L HN 0.288 nan 8.230 nan 0.000 0.436 829 I N 0.812 121.334 120.570 -0.080 0.000 2.291 829 I HA 0.136 4.306 4.170 0.001 0.000 0.290 829 I C 0.713 176.828 176.117 -0.002 0.000 1.050 829 I CA 0.021 61.303 61.300 -0.031 0.000 1.245 829 I CB -0.243 37.763 38.000 0.010 0.000 1.405 829 I HN 0.226 nan 8.210 nan 0.000 0.478 830 S N 4.422 120.137 115.700 0.025 0.000 2.569 830 S HA 0.150 4.620 4.470 0.001 0.000 0.274 830 S C 1.583 176.224 174.600 0.068 0.000 1.353 830 S CA 0.439 58.679 58.200 0.066 0.000 1.023 830 S CB 1.020 64.297 63.200 0.129 0.000 0.876 830 S HN 0.832 nan 8.310 nan 0.000 0.540 831 G N 2.530 111.394 108.800 0.108 0.000 2.402 831 G HA2 -0.176 3.784 3.960 0.001 0.000 0.216 831 G HA3 -0.176 3.784 3.960 0.001 0.000 0.216 831 G C 1.313 176.322 174.900 0.182 0.000 1.162 831 G CA 0.661 45.839 45.100 0.131 0.000 0.777 831 G HN 0.917 nan 8.290 nan 0.000 0.539 832 W N 0.620 121.942 121.300 0.036 0.000 2.425 832 W HA 0.045 4.705 4.660 0.001 0.000 0.277 832 W C 1.658 178.203 176.519 0.043 0.000 1.231 832 W CA 0.424 57.799 57.345 0.050 0.000 1.248 832 W CB -0.161 29.315 29.460 0.027 0.000 1.117 832 W HN 0.178 nan 8.180 nan 0.000 0.568 833 L N 0.328 121.472 121.223 -0.132 0.000 2.179 833 L HA -0.084 4.256 4.340 0.001 0.000 0.208 833 L C 2.348 178.753 176.870 -0.775 0.000 1.096 833 L CA 1.482 56.058 54.840 -0.440 0.000 0.779 833 L CB -1.326 40.555 42.059 -0.296 0.000 0.922 833 L HN -0.100 nan 8.230 nan 0.000 0.443 834 F N -1.427 118.179 119.950 -0.572 0.000 2.325 834 F HA -0.193 4.334 4.527 0.001 0.000 0.299 834 F C 2.157 177.831 175.800 -0.210 0.000 1.090 834 F CA 0.821 58.577 58.000 -0.406 0.000 1.392 834 F CB -0.303 38.624 39.000 -0.123 0.000 1.053 834 F HN 0.177 nan 8.300 nan 0.000 0.521 835 F N 1.004 120.718 119.950 -0.395 0.000 2.113 835 F HA -0.091 4.436 4.527 0.001 0.000 0.297 835 F C 2.623 178.123 175.800 -0.499 0.000 1.103 835 F CA 1.792 59.529 58.000 -0.439 0.000 1.248 835 F CB -0.665 38.082 39.000 -0.421 0.000 0.999 835 F HN -0.114 nan 8.300 nan 0.000 0.475 836 R N -0.363 119.734 120.500 -0.672 0.000 2.103 836 R HA -0.238 4.102 4.340 0.001 0.000 0.242 836 R C 2.135 178.251 176.300 -0.307 0.000 1.142 836 R CA 2.175 57.925 56.100 -0.583 0.000 0.960 836 R CB -1.146 28.855 30.300 -0.498 0.000 0.858 836 R HN 0.362 nan 8.270 nan 0.000 0.439 837 Y N -0.231 119.849 120.300 -0.366 0.000 2.089 837 Y HA -0.166 4.384 4.550 0.001 0.000 0.282 837 Y C 2.205 177.869 175.900 -0.392 0.000 1.139 837 Y CA 1.182 59.099 58.100 -0.306 0.000 1.123 837 Y CB -0.682 37.639 38.460 -0.232 0.000 0.980 837 Y HN 0.042 nan 8.280 nan 0.000 0.493 838 M N -0.481 118.886 119.600 -0.389 0.000 2.229 838 M HA -0.038 4.442 4.480 0.001 0.000 0.264 838 M C 2.317 178.384 176.300 -0.388 0.000 1.063 838 M CA 1.363 56.420 55.300 -0.405 0.000 1.114 838 M CB -1.823 30.480 32.600 -0.495 0.000 1.387 838 M HN 0.244 nan 8.290 nan 0.000 0.420 839 A N 0.194 122.659 122.820 -0.591 0.000 2.014 839 A HA -0.043 4.278 4.320 0.001 0.000 0.218 839 A C 2.182 179.590 177.584 -0.294 0.000 1.163 839 A CA 1.012 52.699 52.037 -0.584 0.000 0.652 839 A CB -0.359 18.018 19.000 -1.038 0.000 0.808 839 A HN 0.354 nan 8.150 nan 0.000 0.449 840 I N -0.902 119.532 120.570 -0.227 0.000 2.628 840 I HA -0.022 4.148 4.170 0.001 0.000 0.255 840 I C 2.650 178.744 176.117 -0.038 0.000 1.119 840 I CA 1.334 62.577 61.300 -0.095 0.000 1.448 840 I CB -1.766 36.193 38.000 -0.069 0.000 1.133 840 I HN 0.330 nan 8.210 nan 0.000 0.438 841 G N 1.020 109.765 108.800 -0.093 0.000 2.422 841 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 841 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 841 G C 1.688 176.550 174.900 -0.064 0.000 1.146 841 G CA 0.895 45.943 45.100 -0.087 0.000 0.769 841 G HN 0.469 nan 8.290 nan 0.000 0.547 842 G N -0.415 108.340 108.800 -0.075 0.000 2.422 842 G HA2 -0.198 3.762 3.960 0.001 0.000 0.218 842 G HA3 -0.198 3.762 3.960 0.001 0.000 0.218 842 G C 1.576 176.474 174.900 -0.003 0.000 1.140 842 G CA 1.028 46.097 45.100 -0.051 0.000 0.775 842 G HN 0.439 nan 8.290 nan 0.000 0.545 843 Y N 1.792 122.036 120.300 -0.093 0.000 2.133 843 Y HA -0.142 4.408 4.550 0.001 0.000 0.287 843 Y C 2.847 178.715 175.900 -0.053 0.000 1.134 843 Y CA 2.045 60.104 58.100 -0.068 0.000 1.133 843 Y CB -0.463 37.955 38.460 -0.070 0.000 0.987 843 Y HN 0.111 nan 8.280 nan 0.000 0.502 844 V N -1.050 118.837 119.914 -0.044 0.000 2.594 844 V HA -0.049 4.071 4.120 0.001 0.000 0.253 844 V C 2.158 178.165 176.094 -0.146 0.000 1.069 844 V CA 1.981 64.207 62.300 -0.124 0.000 1.082 844 V CB -1.561 30.256 31.823 -0.009 0.000 0.680 844 V HN 0.449 nan 8.190 nan 0.000 0.469 845 G N -0.044 108.691 108.800 -0.108 0.000 2.403 845 G HA2 0.049 4.010 3.960 0.001 0.000 0.216 845 G HA3 0.049 4.010 3.960 0.001 0.000 0.216 845 G C 1.538 176.380 174.900 -0.097 0.000 1.154 845 G CA 0.760 45.812 45.100 -0.078 0.000 0.784 845 G HN 0.921 nan 8.290 nan 0.000 0.538 846 A N 0.143 122.880 122.820 -0.140 0.000 2.275 846 A HA 0.680 5.000 4.320 0.001 0.000 0.212 846 A C 2.188 179.638 177.584 -0.223 0.000 1.201 846 A CA 1.197 53.151 52.037 -0.139 0.000 0.843 846 A CB -0.018 18.921 19.000 -0.103 0.000 0.873 846 A HN 0.553 nan 8.150 nan 0.000 0.492 847 A N -1.345 121.271 122.820 -0.340 0.000 2.220 847 A HA 0.217 4.537 4.320 0.001 0.000 0.211 847 A C 1.825 179.277 177.584 -0.220 0.000 1.176 847 A CA 1.406 53.204 52.037 -0.399 0.000 0.834 847 A CB -0.208 18.361 19.000 -0.719 0.000 0.868 847 A HN 0.283 nan 8.150 nan 0.000 0.488 848 T N -0.592 113.866 114.554 -0.159 0.000 3.040 848 T HA 0.022 4.372 4.350 0.001 0.000 0.252 848 T C 1.927 176.584 174.700 -0.072 0.000 1.064 848 T CA 1.269 63.308 62.100 -0.102 0.000 1.110 848 T CB -0.019 68.800 68.868 -0.082 0.000 0.921 848 T HN 0.440 nan 8.240 nan 0.000 0.480 849 V N 0.398 120.275 119.914 -0.062 0.000 2.488 849 V HA 0.229 4.349 4.120 0.001 0.000 0.246 849 V C 2.547 178.635 176.094 -0.010 0.000 1.046 849 V CA 1.673 63.956 62.300 -0.028 0.000 1.053 849 V CB -1.514 30.301 31.823 -0.013 0.000 0.679 849 V HN 0.401 nan 8.190 nan 0.000 0.458 850 G N -0.376 108.405 108.800 -0.031 0.000 2.559 850 G HA2 0.067 4.028 3.960 0.001 0.000 0.216 850 G HA3 0.067 4.028 3.960 0.001 0.000 0.216 850 G C 1.468 176.395 174.900 0.045 0.000 1.126 850 G CA 1.003 46.103 45.100 -0.000 0.000 0.778 850 G HN 0.865 nan 8.290 nan 0.000 0.543 851 A N 0.530 123.354 122.820 0.007 0.000 1.924 851 A HA 0.615 4.935 4.320 0.001 0.000 0.211 851 A C 2.621 180.266 177.584 0.101 0.000 1.198 851 A CA 1.387 53.446 52.037 0.036 0.000 0.657 851 A CB -0.392 18.571 19.000 -0.062 0.000 0.852 851 A HN 0.515 nan 8.150 nan 0.000 0.454 852 A N -0.057 122.764 122.820 0.001 0.000 2.014 852 A HA 0.314 4.634 4.320 0.001 0.000 0.218 852 A C 2.330 179.838 177.584 -0.127 0.000 1.163 852 A CA 1.643 53.626 52.037 -0.091 0.000 0.652 852 A CB -0.664 18.263 19.000 -0.123 0.000 0.808 852 A HN 0.887 nan 8.150 nan 0.000 0.449 853 A N -1.685 121.151 122.820 0.027 0.000 1.929 853 A HA -0.090 4.230 4.320 0.001 0.000 0.216 853 A C 1.892 179.589 177.584 0.188 0.000 1.176 853 A CA 1.218 53.323 52.037 0.114 0.000 0.628 853 A CB -0.819 18.264 19.000 0.137 0.000 0.816 853 A HN 0.802 nan 8.150 nan 0.000 0.444 854 W N -0.474 120.853 121.300 0.045 0.000 2.468 854 W HA -0.147 4.513 4.660 0.001 0.000 0.262 854 W C 1.883 178.477 176.519 0.124 0.000 1.241 854 W CA 1.203 58.606 57.345 0.098 0.000 1.232 854 W CB -0.135 29.367 29.460 0.070 0.000 1.124 854 W HN 0.571 nan 8.180 nan 0.000 0.597 855 W N -0.250 120.993 121.300 -0.094 0.000 2.584 855 W HA -0.075 4.585 4.660 0.001 0.000 0.264 855 W C 0.794 177.209 176.519 -0.173 0.000 1.264 855 W CA 0.953 58.133 57.345 -0.275 0.000 1.306 855 W CB -0.584 28.642 29.460 -0.391 0.000 1.110 855 W HN -0.048 nan 8.180 nan 0.000 0.606 856 F N -0.565 119.314 119.950 -0.120 0.000 2.484 856 F HA -0.049 4.478 4.527 0.001 0.000 0.268 856 F C 2.542 178.261 175.800 -0.134 0.000 0.965 856 F CA -0.282 57.609 58.000 -0.182 0.000 1.119 856 F CB -0.791 38.212 39.000 0.006 0.000 1.153 856 F HN -0.413 nan 8.300 nan 0.000 0.689 857 M N 0.379 120.104 119.600 0.208 0.000 4.602 857 M HA -0.257 4.223 4.480 0.001 0.000 0.325 857 M C 1.091 177.456 176.300 0.109 0.000 1.049 857 M CA 1.881 57.269 55.300 0.146 0.000 1.056 857 M CB -1.304 31.430 32.600 0.224 0.000 1.098 857 M HN 0.121 nan 8.290 nan 0.000 0.757 858 Y N 0.613 120.915 120.300 0.003 0.000 3.007 858 Y HA 0.267 4.817 4.550 0.001 0.000 0.390 858 Y C 0.805 176.451 175.900 -0.425 0.000 1.065 858 Y CA -0.517 57.582 58.100 -0.002 0.000 1.845 858 Y CB -1.493 37.047 38.460 0.134 0.000 1.828 858 Y HN 0.306 nan 8.280 nan 0.000 0.458 859 A N 0.756 123.345 122.820 -0.384 0.000 3.152 859 A HA -0.031 4.289 4.320 0.001 0.000 0.280 859 A C 0.482 177.706 177.584 -0.601 0.000 2.009 859 A CA -0.190 51.427 52.037 -0.700 0.000 1.494 859 A CB -1.042 17.579 19.000 -0.632 0.000 0.941 859 A HN 0.541 nan 8.150 nan 0.000 0.601 860 E N 1.823 121.632 120.200 -0.653 0.000 2.491 860 E HA 0.022 4.373 4.350 0.001 0.000 0.250 860 E C 0.024 176.496 176.600 -0.213 0.000 1.061 860 E CA 0.228 56.467 56.400 -0.270 0.000 0.942 860 E CB 0.102 29.803 29.700 0.002 0.000 0.957 860 E HN 0.633 nan 8.360 nan 0.000 0.480 861 D N 1.252 121.562 120.400 -0.149 0.000 2.921 861 D HA -0.163 4.478 4.640 0.001 0.000 0.202 861 D C 0.540 176.761 176.300 -0.132 0.000 1.082 861 D CA 1.574 55.519 54.000 -0.092 0.000 1.014 861 D CB -1.175 39.626 40.800 0.002 0.000 1.120 861 D HN 0.615 nan 8.370 nan 0.000 0.416 862 G N 1.394 110.021 108.800 -0.288 0.000 2.364 862 G HA2 0.431 4.391 3.960 0.001 0.000 0.267 862 G HA3 0.431 4.391 3.960 0.001 0.000 0.267 862 G C -2.492 172.030 174.900 -0.630 0.000 1.233 862 G CA -0.760 44.053 45.100 -0.478 0.000 0.885 862 G HN -0.111 nan 8.290 nan 0.000 0.490 863 P HA 0.216 nan 4.420 nan 0.000 0.257 863 P C 0.597 177.666 177.300 -0.385 0.000 1.189 863 P CA 1.349 64.309 63.100 -0.233 0.000 0.780 863 P CB 0.642 32.344 31.700 0.004 0.000 0.772 864 G N 2.179 110.771 108.800 -0.348 0.000 2.978 864 G HA2 -0.088 3.873 3.960 0.001 0.000 0.193 864 G HA3 -0.088 3.873 3.960 0.001 0.000 0.193 864 G C -0.416 174.270 174.900 -0.357 0.000 1.038 864 G CA -0.831 44.064 45.100 -0.341 0.000 1.103 864 G HN 0.355 nan 8.290 nan 0.000 0.574 865 V N 1.724 121.480 119.914 -0.264 0.000 2.223 865 V HA 0.246 4.366 4.120 0.001 0.000 0.249 865 V C 1.685 177.725 176.094 -0.090 0.000 1.233 865 V CA 0.793 62.973 62.300 -0.200 0.000 1.131 865 V CB 0.060 31.768 31.823 -0.192 0.000 1.298 865 V HN 0.544 nan 8.190 nan 0.000 0.498 866 T N 2.074 116.593 114.554 -0.059 0.000 2.985 866 T HA -0.016 4.335 4.350 0.001 0.000 0.266 866 T C 0.738 175.548 174.700 0.183 0.000 1.076 866 T CA 0.699 62.824 62.100 0.042 0.000 1.135 866 T CB -0.203 68.660 68.868 -0.009 0.000 0.890 866 T HN 0.606 nan 8.240 nan 0.000 0.480 867 Y N 1.135 121.424 120.300 -0.018 0.000 2.893 867 Y HA -0.361 4.190 4.550 0.001 0.000 0.458 867 Y C 0.597 176.583 175.900 0.143 0.000 1.197 867 Y CA 0.305 58.404 58.100 -0.001 0.000 2.417 867 Y CB -1.035 37.384 38.460 -0.069 0.000 1.230 867 Y HN 0.332 nan 8.280 nan 0.000 0.639 868 H N 1.091 119.947 119.070 -0.356 0.000 3.144 868 H HA 0.177 4.733 4.556 0.001 0.000 0.336 868 H C 0.406 175.759 175.328 0.042 0.000 1.065 868 H CA 1.536 57.477 56.048 -0.178 0.000 1.338 868 H CB -0.085 29.605 29.762 -0.120 0.000 1.251 868 H HN 0.515 nan 8.280 nan 0.000 0.602 869 Q N 0.857 120.729 119.800 0.120 0.000 2.420 869 Q HA -0.152 4.189 4.340 0.001 0.000 0.359 869 Q C -0.774 175.352 176.000 0.210 0.000 1.403 869 Q CA 0.477 56.377 55.803 0.162 0.000 0.982 869 Q CB -1.293 27.568 28.738 0.205 0.000 1.137 869 Q HN 0.617 nan 8.270 nan 0.000 0.317 870 L N 1.647 122.964 121.223 0.157 0.000 2.642 870 L HA 0.267 4.607 4.340 0.001 0.000 0.233 870 L C 1.503 178.454 176.870 0.135 0.000 1.077 870 L CA 1.664 56.623 54.840 0.200 0.000 0.879 870 L CB 0.082 42.265 42.059 0.208 0.000 1.151 870 L HN 0.558 nan 8.230 nan 0.000 0.495 871 T N 0.292 114.869 114.554 0.038 0.000 2.751 871 T HA -0.196 4.155 4.350 0.001 0.000 0.268 871 T C 0.419 174.999 174.700 -0.200 0.000 1.045 871 T CA 1.480 63.513 62.100 -0.112 0.000 1.142 871 T CB -0.639 68.073 68.868 -0.261 0.000 0.851 871 T HN 0.329 nan 8.240 nan 0.000 0.474 872 H N -0.349 118.789 119.070 0.113 0.000 2.504 872 H HA 0.394 4.950 4.556 0.001 0.000 0.322 872 H C 0.248 175.591 175.328 0.026 0.000 1.055 872 H CA -0.793 55.286 56.048 0.051 0.000 1.231 872 H CB 1.032 30.819 29.762 0.042 0.000 1.417 872 H HN 0.409 nan 8.280 nan 0.000 0.472 873 F N 0.073 119.867 119.950 -0.260 0.000 2.897 873 F HA 0.179 4.706 4.527 0.001 0.000 0.364 873 F C 1.061 176.586 175.800 -0.458 0.000 0.940 873 F CA -0.206 57.285 58.000 -0.849 0.000 1.106 873 F CB 0.180 38.111 39.000 -1.781 0.000 1.034 873 F HN 0.181 nan 8.300 nan 0.000 0.583 874 M N 1.260 120.219 119.600 -1.068 0.000 2.476 874 M HA 0.075 4.555 4.480 0.001 0.000 0.262 874 M C 0.098 176.213 176.300 -0.309 0.000 1.079 874 M CA 1.169 56.017 55.300 -0.754 0.000 1.104 874 M CB -0.924 31.290 32.600 -0.644 0.000 1.409 874 M HN 0.378 nan 8.290 nan 0.000 0.467 875 Q N -1.161 118.536 119.800 -0.172 0.000 2.834 875 Q HA 0.128 4.469 4.340 0.001 0.000 0.271 875 Q C 0.629 176.724 176.000 0.158 0.000 1.196 875 Q CA -0.398 55.375 55.803 -0.051 0.000 1.063 875 Q CB 0.965 29.631 28.738 -0.121 0.000 1.265 875 Q HN 0.305 nan 8.270 nan 0.000 0.526 876 c N -0.313 118.357 118.600 0.117 0.000 3.054 876 c HA 0.068 4.638 4.570 0.001 0.000 0.527 876 c C 1.875 176.052 174.090 0.146 0.000 1.347 876 c CA 0.461 56.933 56.329 0.237 0.000 2.453 876 c CB 0.473 42.979 42.510 -0.007 0.000 3.406 876 c HN 0.600 nan 8.230 nan 0.000 0.562 877 T N 0.520 115.103 114.554 0.047 0.000 3.160 877 T HA 0.055 4.405 4.350 0.001 0.000 0.257 877 T C 1.043 175.764 174.700 0.036 0.000 1.147 877 T CA 0.994 63.109 62.100 0.025 0.000 1.064 877 T CB -0.222 68.641 68.868 -0.008 0.000 0.949 877 T HN 0.686 nan 8.240 nan 0.000 0.526 878 E N 0.265 120.495 120.200 0.049 0.000 2.535 878 E HA 0.088 4.439 4.350 0.001 0.000 0.216 878 E C -0.198 176.429 176.600 0.046 0.000 0.845 878 E CA 0.047 56.462 56.400 0.026 0.000 1.306 878 E CB 0.922 30.607 29.700 -0.024 0.000 1.291 878 E HN 0.219 nan 8.360 nan 0.000 0.635 879 D N -0.030 120.426 120.400 0.093 0.000 3.100 879 D HA 0.028 4.668 4.640 0.001 0.000 0.350 879 D C 0.240 176.717 176.300 0.296 0.000 1.310 879 D CA -0.025 54.025 54.000 0.082 0.000 0.741 879 D CB 0.176 40.769 40.800 -0.345 0.000 1.248 879 D HN 0.196 nan 8.370 nan 0.000 0.527 880 H N 1.667 120.897 119.070 0.267 0.000 2.387 880 H HA -0.035 4.521 4.556 0.001 0.000 0.299 880 H C -0.990 174.498 175.328 0.267 0.000 1.099 880 H CA 0.631 56.909 56.048 0.384 0.000 1.315 880 H CB 0.049 29.957 29.762 0.243 0.000 1.380 880 H HN 0.093 nan 8.280 nan 0.000 0.513 881 P HA -0.078 nan 4.420 nan 0.000 0.288 881 P C -0.345 176.800 177.300 -0.257 0.000 1.448 881 P CA 1.086 64.111 63.100 -0.125 0.000 0.764 881 P CB -0.517 31.127 31.700 -0.094 0.000 1.472 882 H N -1.782 117.061 119.070 -0.379 0.000 3.017 882 H HA 0.277 4.834 4.556 0.001 0.000 0.255 882 H C 0.133 175.103 175.328 -0.597 0.000 0.990 882 H CA 0.177 55.885 56.048 -0.567 0.000 1.205 882 H CB -0.016 29.258 29.762 -0.813 0.000 1.460 882 H HN 0.082 nan 8.280 nan 0.000 0.478 883 F N 1.015 121.040 119.950 0.125 0.000 2.467 883 F HA 0.332 4.859 4.527 0.001 0.000 0.336 883 F C 0.180 175.971 175.800 -0.015 0.000 1.123 883 F CA -1.101 56.960 58.000 0.101 0.000 0.964 883 F CB 1.307 40.434 39.000 0.210 0.000 1.136 883 F HN -0.127 nan 8.300 nan 0.000 0.447 884 E N 2.172 122.448 120.200 0.127 0.000 2.081 884 E HA 0.217 4.567 4.350 0.001 0.000 0.270 884 E C 0.864 177.506 176.600 0.069 0.000 1.180 884 E CA 0.041 56.460 56.400 0.031 0.000 0.926 884 E CB 0.480 30.180 29.700 0.000 0.000 1.035 884 E HN 1.028 nan 8.360 nan 0.000 0.418 885 G N 4.153 112.996 108.800 0.072 0.000 2.390 885 G HA2 -0.291 3.669 3.960 0.001 0.000 0.299 885 G HA3 -0.291 3.669 3.960 0.001 0.000 0.299 885 G C 0.061 175.061 174.900 0.167 0.000 1.002 885 G CA 0.159 45.348 45.100 0.147 0.000 0.979 885 G HN 0.458 nan 8.290 nan 0.000 0.513 886 L N 0.270 121.656 121.223 0.272 0.000 2.265 886 L HA 0.340 4.681 4.340 0.001 0.000 0.289 886 L C 0.367 177.221 176.870 -0.026 0.000 1.033 886 L CA -1.067 53.816 54.840 0.073 0.000 0.814 886 L CB 1.351 43.418 42.059 0.014 0.000 1.203 886 L HN 0.152 nan 8.230 nan 0.000 0.423 887 D N 1.717 122.051 120.400 -0.110 0.000 2.450 887 D HA -0.020 4.621 4.640 0.001 0.000 0.247 887 D C 0.776 176.943 176.300 -0.222 0.000 1.162 887 D CA -0.127 53.776 54.000 -0.162 0.000 0.879 887 D CB 1.106 41.838 40.800 -0.115 0.000 1.163 887 D HN 0.528 nan 8.370 nan 0.000 0.472 888 c N 3.776 122.252 118.600 -0.207 0.000 2.485 888 c HA -0.010 4.560 4.570 0.001 0.000 0.283 888 c C 1.827 175.896 174.090 -0.035 0.000 1.478 888 c CA -0.111 56.149 56.329 -0.115 0.000 1.741 888 c CB -1.073 41.390 42.510 -0.079 0.000 1.675 888 c HN 0.620 nan 8.230 nan 0.000 0.573 889 E N 1.167 121.312 120.200 -0.092 0.000 2.318 889 E HA 0.030 4.381 4.350 0.001 0.000 0.193 889 E C 1.858 178.415 176.600 -0.071 0.000 0.998 889 E CA 0.442 56.814 56.400 -0.047 0.000 0.859 889 E CB -0.283 29.390 29.700 -0.044 0.000 0.812 889 E HN 0.854 nan 8.360 nan 0.000 0.492 890 I N -2.291 118.153 120.570 -0.210 0.000 3.010 890 I HA -0.118 4.053 4.170 0.001 0.000 0.271 890 I C 1.484 177.433 176.117 -0.280 0.000 1.293 890 I CA 0.866 62.023 61.300 -0.240 0.000 1.452 890 I CB -0.386 37.386 38.000 -0.379 0.000 1.082 890 I HN -0.210 nan 8.210 nan 0.000 0.484 891 F N 1.324 121.206 119.950 -0.114 0.000 2.569 891 F HA 0.132 4.660 4.527 0.001 0.000 0.295 891 F C 2.351 178.133 175.800 -0.031 0.000 1.115 891 F CA 0.724 58.632 58.000 -0.153 0.000 1.450 891 F CB -0.244 38.665 39.000 -0.150 0.000 1.107 891 F HN 0.176 nan 8.300 nan 0.000 0.563 892 E N 0.479 120.772 120.200 0.155 0.000 2.463 892 E HA 0.272 4.622 4.350 0.001 0.000 0.193 892 E C 0.430 177.076 176.600 0.077 0.000 1.041 892 E CA -0.268 56.190 56.400 0.096 0.000 0.879 892 E CB 0.158 29.892 29.700 0.057 0.000 0.997 892 E HN 0.168 nan 8.360 nan 0.000 0.478 893 A N 2.117 125.005 122.820 0.114 0.000 2.498 893 A HA 0.109 4.430 4.320 0.001 0.000 0.239 893 A C -1.533 176.077 177.584 0.044 0.000 1.068 893 A CA -0.910 51.187 52.037 0.100 0.000 0.766 893 A CB 0.134 19.258 19.000 0.206 0.000 1.003 893 A HN 0.139 nan 8.150 nan 0.000 0.497 894 P HA -0.007 nan 4.420 nan 0.000 0.245 894 P C 0.604 177.777 177.300 -0.211 0.000 1.206 894 P CA 0.701 63.745 63.100 -0.093 0.000 0.781 894 P CB 0.340 31.987 31.700 -0.089 0.000 0.994 895 E N 1.142 121.164 120.200 -0.296 0.000 2.072 895 E HA -0.059 4.291 4.350 0.001 0.000 0.190 895 E C -0.546 175.504 176.600 -0.917 0.000 0.982 895 E CA 1.098 57.093 56.400 -0.675 0.000 0.803 895 E CB -1.428 27.742 29.700 -0.883 0.000 0.755 895 E HN 0.429 nan 8.360 nan 0.000 0.453 896 P HA -0.134 nan 4.420 nan 0.000 0.217 896 P C 1.526 178.621 177.300 -0.340 0.000 1.151 896 P CA 1.387 64.146 63.100 -0.569 0.000 0.828 896 P CB -0.076 31.339 31.700 -0.475 0.000 0.788 897 M N -0.814 118.645 119.600 -0.235 0.000 2.132 897 M HA -0.078 4.402 4.480 0.001 0.000 0.263 897 M C 2.123 178.324 176.300 -0.164 0.000 1.065 897 M CA 2.003 57.215 55.300 -0.147 0.000 1.122 897 M CB -1.589 30.961 32.600 -0.083 0.000 1.365 897 M HN -0.091 nan 8.290 nan 0.000 0.411 898 T N 0.696 115.109 114.554 -0.235 0.000 2.788 898 T HA -0.086 4.265 4.350 0.001 0.000 0.268 898 T C 1.893 176.428 174.700 -0.276 0.000 1.044 898 T CA 1.057 63.012 62.100 -0.241 0.000 1.139 898 T CB -0.100 68.577 68.868 -0.318 0.000 0.867 898 T HN 0.249 nan 8.240 nan 0.000 0.454 899 M N 1.025 120.418 119.600 -0.345 0.000 2.149 899 M HA -0.029 4.451 4.480 0.001 0.000 0.261 899 M C 2.628 178.811 176.300 -0.196 0.000 1.064 899 M CA 1.388 56.508 55.300 -0.300 0.000 1.102 899 M CB -1.131 31.323 32.600 -0.244 0.000 1.369 899 M HN 0.329 nan 8.290 nan 0.000 0.408 900 A N -0.341 122.386 122.820 -0.155 0.000 1.854 900 A HA -0.136 4.184 4.320 0.001 0.000 0.214 900 A C 2.071 179.616 177.584 -0.064 0.000 1.192 900 A CA 1.113 53.090 52.037 -0.098 0.000 0.611 900 A CB -0.980 17.970 19.000 -0.083 0.000 0.832 900 A HN 0.424 nan 8.150 nan 0.000 0.442 901 L N -0.069 121.132 121.223 -0.038 0.000 2.187 901 L HA -0.093 4.248 4.340 0.001 0.000 0.213 901 L C 2.330 179.219 176.870 0.031 0.000 1.100 901 L CA 2.230 57.089 54.840 0.032 0.000 0.765 901 L CB -0.370 41.751 42.059 0.103 0.000 0.904 901 L HN 0.283 nan 8.230 nan 0.000 0.437 902 S N -1.902 113.801 115.700 0.006 0.000 2.406 902 S HA -0.024 4.446 4.470 0.001 0.000 0.224 902 S C 1.831 176.438 174.600 0.012 0.000 1.030 902 S CA 0.962 59.185 58.200 0.037 0.000 0.958 902 S CB -0.003 63.095 63.200 -0.170 0.000 0.811 902 S HN 0.293 nan 8.310 nan 0.000 0.489 903 V N 1.906 121.792 119.914 -0.046 0.000 2.515 903 V HA -0.096 4.025 4.120 0.001 0.000 0.250 903 V C 2.145 178.231 176.094 -0.012 0.000 1.058 903 V CA 1.101 63.386 62.300 -0.026 0.000 1.064 903 V CB -0.514 31.266 31.823 -0.072 0.000 0.675 903 V HN 0.297 nan 8.190 nan 0.000 0.461 904 L N -0.215 120.992 121.223 -0.027 0.000 1.937 904 L HA -0.119 4.222 4.340 0.001 0.000 0.213 904 L C 2.448 179.306 176.870 -0.020 0.000 1.077 904 L CA 1.885 56.708 54.840 -0.029 0.000 0.758 904 L CB -0.803 41.239 42.059 -0.029 0.000 0.888 904 L HN 0.107 nan 8.230 nan 0.000 0.433 905 V N -0.541 119.344 119.914 -0.047 0.000 2.250 905 V HA -0.434 3.686 4.120 0.001 0.000 0.253 905 V C 2.462 178.567 176.094 0.019 0.000 1.065 905 V CA 2.523 64.785 62.300 -0.063 0.000 1.039 905 V CB -1.187 30.500 31.823 -0.227 0.000 0.647 905 V HN 0.601 nan 8.190 nan 0.000 0.446 906 T N -0.414 114.184 114.554 0.073 0.000 2.708 906 T HA -0.175 4.176 4.350 0.001 0.000 0.266 906 T C 1.853 176.611 174.700 0.097 0.000 1.037 906 T CA 1.965 64.143 62.100 0.130 0.000 1.146 906 T CB -0.346 68.655 68.868 0.220 0.000 0.865 906 T HN 0.432 nan 8.240 nan 0.000 0.435 907 I N 0.737 121.354 120.570 0.078 0.000 2.454 907 I HA -0.150 4.020 4.170 0.001 0.000 0.254 907 I C 2.395 178.565 176.117 0.089 0.000 1.156 907 I CA 1.379 62.729 61.300 0.084 0.000 1.433 907 I CB -0.091 37.950 38.000 0.069 0.000 1.082 907 I HN 0.322 nan 8.210 nan 0.000 0.432 908 E N 0.123 120.371 120.200 0.080 0.000 2.051 908 E HA -0.181 4.169 4.350 0.001 0.000 0.189 908 E C 2.154 178.871 176.600 0.194 0.000 0.979 908 E CA 1.024 57.501 56.400 0.128 0.000 0.803 908 E CB -0.114 29.628 29.700 0.069 0.000 0.761 908 E HN 0.419 nan 8.360 nan 0.000 0.451 909 M N 0.530 120.196 119.600 0.110 0.000 2.213 909 M HA -0.138 4.343 4.480 0.001 0.000 0.263 909 M C 2.376 178.695 176.300 0.032 0.000 1.062 909 M CA 0.910 56.242 55.300 0.053 0.000 1.105 909 M CB -1.170 31.452 32.600 0.036 0.000 1.385 909 M HN 0.238 nan 8.290 nan 0.000 0.417 910 C N 0.351 119.687 119.300 0.060 0.000 2.457 910 C HA -0.099 4.361 4.460 0.001 0.000 0.278 910 C C 2.592 177.610 174.990 0.047 0.000 1.309 910 C CA 1.048 60.094 59.018 0.047 0.000 1.735 910 C CB -1.309 26.469 27.740 0.063 0.000 1.992 910 C HN 0.606 nan 8.230 nan 0.000 0.493 911 N N 1.250 120.007 118.700 0.095 0.000 2.188 911 N HA -0.052 4.688 4.740 0.001 0.000 0.184 911 N C 1.678 177.243 175.510 0.093 0.000 1.018 911 N CA 1.588 54.713 53.050 0.125 0.000 0.858 911 N CB -0.244 38.356 38.487 0.187 0.000 0.989 911 N HN 0.420 nan 8.380 nan 0.000 0.426 912 A N 0.452 123.251 122.820 -0.035 0.000 1.978 912 A HA -0.071 4.249 4.320 0.001 0.000 0.220 912 A C 2.159 179.618 177.584 -0.209 0.000 1.170 912 A CA 0.976 52.745 52.037 -0.447 0.000 0.636 912 A CB -0.759 17.811 19.000 -0.717 0.000 0.810 912 A HN 0.384 nan 8.150 nan 0.000 0.448 913 L N -0.228 120.934 121.223 -0.101 0.000 2.275 913 L HA -0.147 4.193 4.340 0.001 0.000 0.215 913 L C 1.888 178.733 176.870 -0.043 0.000 1.119 913 L CA 0.754 55.555 54.840 -0.065 0.000 0.790 913 L CB -0.563 41.474 42.059 -0.037 0.000 0.919 913 L HN 0.376 nan 8.230 nan 0.000 0.443 914 N N -0.565 118.124 118.700 -0.018 0.000 2.457 914 N HA -0.062 4.679 4.740 0.001 0.000 0.180 914 N C 1.028 176.548 175.510 0.017 0.000 1.050 914 N CA 0.681 53.737 53.050 0.010 0.000 0.906 914 N CB 0.157 38.666 38.487 0.036 0.000 0.968 914 N HN 0.148 nan 8.380 nan 0.000 0.445 915 S N 0.796 116.490 115.700 -0.009 0.000 2.699 915 S HA 0.293 4.764 4.470 0.001 0.000 0.251 915 S C 1.382 175.978 174.600 -0.007 0.000 1.179 915 S CA -0.201 58.002 58.200 0.005 0.000 1.200 915 S CB -0.035 63.157 63.200 -0.013 0.000 0.848 915 S HN 0.231 nan 8.310 nan 0.000 0.472 916 L N 0.250 121.468 121.223 -0.009 0.000 2.590 916 L HA 0.323 4.663 4.340 0.001 0.000 0.227 916 L C 0.933 177.808 176.870 0.008 0.000 1.099 916 L CA 0.121 54.956 54.840 -0.009 0.000 0.872 916 L CB 0.448 42.483 42.059 -0.041 0.000 1.088 916 L HN 0.327 nan 8.230 nan 0.000 0.479 917 S N -1.543 114.171 115.700 0.023 0.000 2.587 917 S HA 0.174 4.644 4.470 0.001 0.000 0.269 917 S C 0.223 174.862 174.600 0.065 0.000 1.154 917 S CA -0.605 57.618 58.200 0.038 0.000 0.824 917 S CB 1.788 65.001 63.200 0.023 0.000 1.118 917 S HN 0.179 nan 8.310 nan 0.000 0.462 918 E N 1.357 121.605 120.200 0.080 0.000 2.024 918 E HA 0.122 4.472 4.350 0.001 0.000 0.190 918 E C 0.744 177.417 176.600 0.122 0.000 0.974 918 E CA 0.923 57.390 56.400 0.111 0.000 0.810 918 E CB -0.077 29.696 29.700 0.121 0.000 0.775 918 E HN 0.755 nan 8.360 nan 0.000 0.453 919 N N -0.149 118.612 118.700 0.101 0.000 2.204 919 N HA 0.070 4.810 4.740 0.001 0.000 0.219 919 N C -0.618 174.938 175.510 0.076 0.000 1.151 919 N CA -0.345 52.766 53.050 0.103 0.000 0.867 919 N CB 0.823 39.357 38.487 0.079 0.000 1.043 919 N HN 0.052 nan 8.380 nan 0.000 0.516 920 Q N 0.850 120.685 119.800 0.059 0.000 2.222 920 Q HA 0.214 4.555 4.340 0.001 0.000 0.252 920 Q C -0.053 175.970 176.000 0.039 0.000 0.926 920 Q CA -0.146 55.681 55.803 0.040 0.000 0.899 920 Q CB 1.948 30.696 28.738 0.016 0.000 1.250 920 Q HN 0.063 nan 8.270 nan 0.000 0.441 921 S N 1.000 116.722 115.700 0.036 0.000 2.579 921 S HA 0.087 4.557 4.470 0.001 0.000 0.275 921 S C 1.181 175.770 174.600 -0.019 0.000 1.345 921 S CA -0.337 57.879 58.200 0.027 0.000 1.031 921 S CB 0.319 63.540 63.200 0.035 0.000 0.892 921 S HN 0.639 nan 8.310 nan 0.000 0.529 922 L N 2.919 124.127 121.223 -0.025 0.000 2.551 922 L HA 0.000 4.341 4.340 0.001 0.000 0.228 922 L C 1.990 178.797 176.870 -0.105 0.000 1.153 922 L CA 0.520 55.321 54.840 -0.066 0.000 0.851 922 L CB -0.207 41.826 42.059 -0.044 0.000 0.959 922 L HN 0.744 nan 8.230 nan 0.000 0.451 923 M N -1.256 118.302 119.600 -0.071 0.000 2.545 923 M HA 0.014 4.494 4.480 0.001 0.000 0.264 923 M C 2.048 178.294 176.300 -0.090 0.000 1.155 923 M CA 1.192 56.447 55.300 -0.074 0.000 1.162 923 M CB 0.038 32.627 32.600 -0.019 0.000 1.330 923 M HN -0.141 nan 8.290 nan 0.000 0.479 924 R N -0.018 120.446 120.500 -0.061 0.000 2.090 924 R HA 0.141 4.481 4.340 0.001 0.000 0.228 924 R C 0.069 176.309 176.300 -0.100 0.000 1.110 924 R CA 1.200 57.268 56.100 -0.052 0.000 0.973 924 R CB 0.032 30.323 30.300 -0.015 0.000 0.869 924 R HN 0.246 nan 8.270 nan 0.000 0.440 925 M N 1.758 121.277 119.600 -0.134 0.000 2.386 925 M HA 0.325 4.806 4.480 0.001 0.000 0.245 925 M C -2.368 173.749 176.300 -0.306 0.000 0.982 925 M CA -2.117 53.073 55.300 -0.184 0.000 0.860 925 M CB 1.742 34.278 32.600 -0.107 0.000 1.371 925 M HN -0.213 nan 8.290 nan 0.000 0.425 926 P HA -0.001 nan 4.420 nan 0.000 0.266 926 P C -1.947 174.950 177.300 -0.672 0.000 1.186 926 P CA -0.449 62.099 63.100 -0.920 0.000 0.767 926 P CB 0.065 30.446 31.700 -2.198 0.000 0.820 927 P HA -0.144 nan 4.420 nan 0.000 0.219 927 P C 0.751 178.011 177.300 -0.068 0.000 1.146 927 P CA 1.191 64.201 63.100 -0.150 0.000 0.808 927 P CB -0.396 31.290 31.700 -0.023 0.000 0.779 928 W N -1.664 119.616 121.300 -0.033 0.000 2.961 928 W HA 0.099 4.760 4.660 0.001 0.000 0.240 928 W C 1.199 177.692 176.519 -0.042 0.000 1.305 928 W CA -0.083 57.233 57.345 -0.048 0.000 1.465 928 W CB -1.796 27.633 29.460 -0.052 0.000 1.135 928 W HN -0.298 nan 8.180 nan 0.000 0.688 929 V N 2.191 121.970 119.914 -0.226 0.000 2.219 929 V HA -0.322 3.798 4.120 0.001 0.000 0.248 929 V C 1.475 177.569 176.094 -0.001 0.000 1.053 929 V CA 2.238 64.457 62.300 -0.135 0.000 1.009 929 V CB -0.937 30.771 31.823 -0.192 0.000 0.636 929 V HN 0.317 nan 8.190 nan 0.000 0.445 930 N N 0.285 118.988 118.700 0.006 0.000 2.482 930 N HA 0.115 4.855 4.740 0.001 0.000 0.242 930 N C 0.471 175.994 175.510 0.022 0.000 1.100 930 N CA 0.103 53.193 53.050 0.066 0.000 0.946 930 N CB 1.014 39.558 38.487 0.095 0.000 1.227 930 N HN 0.214 nan 8.380 nan 0.000 0.508 931 I N 2.731 123.262 120.570 -0.064 0.000 2.252 931 I HA -0.147 4.023 4.170 0.001 0.000 0.245 931 I C 1.387 177.364 176.117 -0.234 0.000 1.102 931 I CA 1.123 62.303 61.300 -0.200 0.000 1.385 931 I CB -0.230 37.550 38.000 -0.367 0.000 1.064 931 I HN 0.580 nan 8.210 nan 0.000 0.414 932 W N -0.306 120.954 121.300 -0.066 0.000 2.331 932 W HA -0.247 4.413 4.660 0.001 0.000 0.291 932 W C 2.386 178.824 176.519 -0.134 0.000 1.214 932 W CA 0.487 57.742 57.345 -0.149 0.000 1.228 932 W CB -0.576 28.729 29.460 -0.259 0.000 1.135 932 W HN 0.152 nan 8.180 nan 0.000 0.537 933 L N 0.261 121.549 121.223 0.107 0.000 2.044 933 L HA -0.106 4.234 4.340 0.001 0.000 0.205 933 L C 2.078 178.939 176.870 -0.016 0.000 1.075 933 L CA 1.810 56.667 54.840 0.029 0.000 0.747 933 L CB -1.093 40.970 42.059 0.007 0.000 0.903 933 L HN 0.012 nan 8.230 nan 0.000 0.435 934 L N -0.434 120.773 121.223 -0.027 0.000 2.012 934 L HA -0.145 4.195 4.340 0.001 0.000 0.210 934 L C 2.577 179.413 176.870 -0.056 0.000 1.073 934 L CA 1.448 56.263 54.840 -0.042 0.000 0.748 934 L CB -1.728 40.308 42.059 -0.039 0.000 0.891 934 L HN 0.465 nan 8.230 nan 0.000 0.431 935 G N -0.729 108.028 108.800 -0.071 0.000 2.462 935 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 935 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 935 G C 1.689 176.563 174.900 -0.043 0.000 1.121 935 G CA 1.118 46.176 45.100 -0.070 0.000 0.758 935 G HN 0.410 nan 8.290 nan 0.000 0.559 936 S N 0.306 115.990 115.700 -0.028 0.000 2.388 936 S HA 0.081 4.551 4.470 0.001 0.000 0.223 936 S C 2.255 176.832 174.600 -0.039 0.000 1.034 936 S CA 0.208 58.390 58.200 -0.031 0.000 0.963 936 S CB -0.043 63.142 63.200 -0.025 0.000 0.827 936 S HN 0.205 nan 8.310 nan 0.000 0.481 937 I N 2.001 122.545 120.570 -0.043 0.000 2.118 937 I HA -0.241 3.930 4.170 0.001 0.000 0.241 937 I C 2.373 178.465 176.117 -0.043 0.000 1.070 937 I CA 1.208 62.483 61.300 -0.042 0.000 1.327 937 I CB -1.534 36.440 38.000 -0.044 0.000 1.034 937 I HN 0.343 nan 8.210 nan 0.000 0.405 938 C N 0.228 119.493 119.300 -0.058 0.000 2.435 938 C HA -0.107 4.354 4.460 0.001 0.000 0.279 938 C C 2.806 177.758 174.990 -0.065 0.000 1.321 938 C CA 0.123 59.094 59.018 -0.079 0.000 1.752 938 C CB -1.106 26.577 27.740 -0.094 0.000 1.959 938 C HN 0.523 nan 8.230 nan 0.000 0.500 939 L N 0.916 122.111 121.223 -0.047 0.000 2.131 939 L HA -0.072 4.268 4.340 0.001 0.000 0.210 939 L C 2.365 179.230 176.870 -0.009 0.000 1.092 939 L CA 1.971 56.793 54.840 -0.031 0.000 0.759 939 L CB -0.640 41.401 42.059 -0.031 0.000 0.903 939 L HN 0.196 nan 8.230 nan 0.000 0.435 940 S N -1.133 114.558 115.700 -0.014 0.000 2.371 940 S HA -0.078 4.392 4.470 0.001 0.000 0.221 940 S C 1.847 176.499 174.600 0.087 0.000 1.036 940 S CA 1.227 59.426 58.200 -0.002 0.000 0.965 940 S CB -0.172 63.003 63.200 -0.041 0.000 0.845 940 S HN 0.408 nan 8.310 nan 0.000 0.475 941 M N 1.968 121.602 119.600 0.058 0.000 2.106 941 M HA -0.077 4.403 4.480 0.001 0.000 0.259 941 M C 2.027 178.391 176.300 0.107 0.000 1.068 941 M CA 1.428 56.787 55.300 0.099 0.000 1.100 941 M CB -0.662 31.913 32.600 -0.043 0.000 1.351 941 M HN 0.157 nan 8.290 nan 0.000 0.404 942 S N -0.285 115.407 115.700 -0.013 0.000 2.357 942 S HA -0.050 4.420 4.470 0.001 0.000 0.221 942 S C 1.660 176.364 174.600 0.174 0.000 1.031 942 S CA 0.859 59.040 58.200 -0.032 0.000 0.982 942 S CB -0.552 62.597 63.200 -0.084 0.000 0.853 942 S HN 0.385 nan 8.310 nan 0.000 0.458 943 L N 1.673 123.011 121.223 0.192 0.000 2.189 943 L HA -0.135 4.205 4.340 0.001 0.000 0.214 943 L C 2.034 179.245 176.870 0.570 0.000 1.097 943 L CA 1.788 56.804 54.840 0.293 0.000 0.764 943 L CB -0.951 41.220 42.059 0.186 0.000 0.900 943 L HN 0.385 nan 8.230 nan 0.000 0.436 944 H N -1.964 117.411 119.070 0.509 0.000 2.403 944 H HA -0.079 4.478 4.556 0.001 0.000 0.298 944 H C 2.014 177.607 175.328 0.440 0.000 1.059 944 H CA 1.513 57.947 56.048 0.642 0.000 1.363 944 H CB -0.283 29.843 29.762 0.607 0.000 1.410 944 H HN 0.353 nan 8.280 nan 0.000 0.528 945 F N -0.544 119.484 119.950 0.129 0.000 2.269 945 F HA -0.120 4.407 4.527 0.001 0.000 0.301 945 F C 1.842 177.668 175.800 0.043 0.000 1.082 945 F CA 0.123 58.157 58.000 0.056 0.000 1.360 945 F CB 0.004 38.973 39.000 -0.052 0.000 1.041 945 F HN 0.162 nan 8.300 nan 0.000 0.512 946 L N -0.406 120.924 121.223 0.178 0.000 2.265 946 L HA -0.222 4.118 4.340 0.001 0.000 0.215 946 L C 2.022 178.825 176.870 -0.111 0.000 1.117 946 L CA 1.042 55.916 54.840 0.056 0.000 0.782 946 L CB -0.581 41.515 42.059 0.061 0.000 0.914 946 L HN 0.129 nan 8.230 nan 0.000 0.441 947 I N -1.298 119.097 120.570 -0.293 0.000 2.716 947 I HA -0.138 4.032 4.170 0.001 0.000 0.259 947 I C 2.030 177.904 176.117 -0.404 0.000 1.172 947 I CA 1.108 62.045 61.300 -0.604 0.000 1.478 947 I CB -0.595 36.705 38.000 -1.167 0.000 1.104 947 I HN 0.230 nan 8.210 nan 0.000 0.439 948 L N -1.344 119.719 121.223 -0.268 0.000 2.529 948 L HA -0.059 4.281 4.340 0.001 0.000 0.223 948 L C 1.157 177.821 176.870 -0.343 0.000 1.113 948 L CA 0.678 55.342 54.840 -0.293 0.000 0.861 948 L CB -0.076 41.821 42.059 -0.270 0.000 1.012 948 L HN 0.179 nan 8.230 nan 0.000 0.461 949 Y N -2.141 118.077 120.300 -0.137 0.000 2.666 949 Y HA 0.246 4.796 4.550 0.001 0.000 0.260 949 Y C 0.299 176.167 175.900 -0.053 0.000 1.089 949 Y CA -0.537 57.521 58.100 -0.070 0.000 1.246 949 Y CB 0.732 39.181 38.460 -0.019 0.000 1.353 949 Y HN -0.292 nan 8.280 nan 0.000 0.558 950 V N 1.316 121.259 119.914 0.049 0.000 2.220 950 V HA 0.108 4.228 4.120 0.001 0.000 0.265 950 V C 0.590 176.675 176.094 -0.015 0.000 1.078 950 V CA -0.638 61.675 62.300 0.021 0.000 0.872 950 V CB 0.478 32.310 31.823 0.015 0.000 1.121 950 V HN 0.252 nan 8.190 nan 0.000 0.460 951 D N 5.147 125.539 120.400 -0.014 0.000 4.769 951 D HA -0.282 4.359 4.640 0.001 0.000 0.434 951 D C -0.760 175.524 176.300 -0.027 0.000 1.471 951 D CA 3.057 57.041 54.000 -0.026 0.000 1.222 951 D CB -0.532 40.260 40.800 -0.014 0.000 0.703 951 D HN 0.466 nan 8.370 nan 0.000 0.751 952 P HA -0.078 nan 4.420 nan 0.000 0.218 952 P C 1.414 178.722 177.300 0.013 0.000 1.148 952 P CA 0.873 63.970 63.100 -0.005 0.000 0.822 952 P CB 0.062 31.763 31.700 0.001 0.000 0.784 953 L N 0.220 121.442 121.223 -0.002 0.000 1.993 953 L HA -0.026 4.315 4.340 0.001 0.000 0.206 953 L C -0.617 176.268 176.870 0.026 0.000 1.074 953 L CA 2.489 57.339 54.840 0.016 0.000 0.746 953 L CB -2.640 39.317 42.059 -0.169 0.000 0.896 953 L HN 0.052 nan 8.230 nan 0.000 0.435 954 P HA -0.228 nan 4.420 nan 0.000 0.222 954 P C 1.829 179.104 177.300 -0.042 0.000 1.142 954 P CA 1.478 64.514 63.100 -0.106 0.000 0.788 954 P CB -0.121 31.480 31.700 -0.165 0.000 0.767 955 M N -0.199 119.392 119.600 -0.016 0.000 2.115 955 M HA -0.053 4.428 4.480 0.001 0.000 0.261 955 M C 2.175 178.475 176.300 -0.001 0.000 1.079 955 M CA 1.486 56.776 55.300 -0.016 0.000 1.143 955 M CB -0.921 31.667 32.600 -0.020 0.000 1.332 955 M HN -0.165 nan 8.290 nan 0.000 0.421 956 I N -0.127 120.460 120.570 0.029 0.000 2.163 956 I HA -0.299 3.871 4.170 0.001 0.000 0.243 956 I C 1.624 177.666 176.117 -0.124 0.000 1.085 956 I CA 1.374 62.649 61.300 -0.041 0.000 1.347 956 I CB -0.650 37.329 38.000 -0.035 0.000 1.044 956 I HN 0.123 nan 8.210 nan 0.000 0.408 957 F N 1.086 120.956 119.950 -0.133 0.000 2.804 957 F HA 0.093 4.621 4.527 0.001 0.000 0.303 957 F C 1.054 176.777 175.800 -0.129 0.000 1.154 957 F CA -0.067 57.839 58.000 -0.155 0.000 1.401 957 F CB -0.527 38.298 39.000 -0.291 0.000 1.106 957 F HN -0.069 nan 8.300 nan 0.000 0.568 958 K N 1.139 121.552 120.400 0.021 0.000 3.257 958 K HA -0.194 4.126 4.320 0.001 0.000 0.270 958 K C -1.289 175.285 176.600 -0.044 0.000 0.984 958 K CA 0.360 56.636 56.287 -0.018 0.000 0.739 958 K CB -1.515 30.976 32.500 -0.016 0.000 1.351 958 K HN 0.413 nan 8.250 nan 0.000 0.463 959 L N -0.495 120.683 121.223 -0.075 0.000 2.322 959 L HA 0.607 4.947 4.340 0.001 0.000 0.252 959 L C -0.364 176.394 176.870 -0.186 0.000 1.055 959 L CA -1.256 53.499 54.840 -0.142 0.000 0.849 959 L CB 2.195 44.153 42.059 -0.168 0.000 1.446 959 L HN 0.124 nan 8.230 nan 0.000 0.416 960 K N 0.733 120.983 120.400 -0.251 0.000 2.535 960 K HA 0.693 5.013 4.320 0.001 0.000 0.250 960 K C -0.786 175.595 176.600 -0.364 0.000 0.948 960 K CA -0.516 55.604 56.287 -0.278 0.000 0.796 960 K CB 2.080 34.435 32.500 -0.242 0.000 1.216 960 K HN 0.702 nan 8.250 nan 0.000 0.432 961 A N 3.203 125.761 122.820 -0.437 0.000 2.577 961 A HA 0.178 4.498 4.320 0.001 0.000 0.233 961 A C -0.588 176.754 177.584 -0.403 0.000 1.076 961 A CA 0.309 51.991 52.037 -0.593 0.000 0.767 961 A CB -0.028 18.425 19.000 -0.912 0.000 1.017 961 A HN 0.546 nan 8.150 nan 0.000 0.511 962 L N 0.855 121.889 121.223 -0.314 0.000 2.334 962 L HA 0.408 4.748 4.340 0.001 0.000 0.273 962 L C -0.217 176.663 176.870 0.017 0.000 1.013 962 L CA -0.465 54.221 54.840 -0.257 0.000 0.816 962 L CB 1.562 43.257 42.059 -0.606 0.000 1.278 962 L HN 0.633 nan 8.230 nan 0.000 0.431 963 D N 0.718 121.143 120.400 0.041 0.000 2.423 963 D HA 0.139 4.780 4.640 0.001 0.000 0.238 963 D C 0.943 177.410 176.300 0.278 0.000 1.142 963 D CA -0.084 54.009 54.000 0.156 0.000 0.884 963 D CB 0.698 41.584 40.800 0.143 0.000 1.199 963 D HN 0.263 nan 8.370 nan 0.000 0.438 964 L N 1.354 122.756 121.223 0.299 0.000 2.549 964 L HA -0.084 4.256 4.340 0.001 0.000 0.230 964 L C 1.962 179.002 176.870 0.284 0.000 1.162 964 L CA 1.441 56.480 54.840 0.331 0.000 0.834 964 L CB -0.747 41.438 42.059 0.211 0.000 0.947 964 L HN 0.431 nan 8.230 nan 0.000 0.452 965 T N -2.644 112.052 114.554 0.236 0.000 3.014 965 T HA 0.020 4.371 4.350 0.001 0.000 0.250 965 T C 1.710 176.537 174.700 0.211 0.000 1.060 965 T CA 0.188 62.412 62.100 0.207 0.000 1.040 965 T CB 0.222 69.203 68.868 0.189 0.000 0.971 965 T HN 0.353 nan 8.240 nan 0.000 0.497 966 Q N -0.292 119.626 119.800 0.198 0.000 2.269 966 Q HA 0.038 4.378 4.340 0.001 0.000 0.201 966 Q C 1.586 177.580 176.000 -0.010 0.000 0.946 966 Q CA 0.754 56.630 55.803 0.122 0.000 0.877 966 Q CB -0.040 28.730 28.738 0.053 0.000 0.963 966 Q HN 0.592 nan 8.270 nan 0.000 0.472 967 W N 1.016 122.352 121.300 0.060 0.000 2.381 967 W HA -0.088 4.572 4.660 0.001 0.000 0.301 967 W C 1.746 178.279 176.519 0.024 0.000 1.205 967 W CA 0.533 57.908 57.345 0.051 0.000 1.285 967 W CB -0.060 29.458 29.460 0.095 0.000 1.133 967 W HN 0.076 nan 8.180 nan 0.000 0.521 968 L N -0.363 121.014 121.223 0.257 0.000 2.189 968 L HA -0.272 4.069 4.340 0.001 0.000 0.214 968 L C 2.330 179.211 176.870 0.019 0.000 1.097 968 L CA 1.030 55.949 54.840 0.131 0.000 0.764 968 L CB -0.683 41.442 42.059 0.110 0.000 0.900 968 L HN 0.131 nan 8.230 nan 0.000 0.436 969 M N -0.411 119.142 119.600 -0.077 0.000 2.134 969 M HA -0.071 4.409 4.480 0.001 0.000 0.262 969 M C 2.155 178.337 176.300 -0.197 0.000 1.076 969 M CA 1.656 56.774 55.300 -0.304 0.000 1.143 969 M CB -0.386 31.791 32.600 -0.705 0.000 1.346 969 M HN -0.091 nan 8.290 nan 0.000 0.421 970 V N 0.677 120.526 119.914 -0.108 0.000 2.317 970 V HA -0.314 3.807 4.120 0.001 0.000 0.251 970 V C 2.410 178.537 176.094 0.054 0.000 1.065 970 V CA 1.846 64.127 62.300 -0.031 0.000 1.049 970 V CB -1.080 30.759 31.823 0.026 0.000 0.651 970 V HN 0.448 nan 8.190 nan 0.000 0.450 971 L N -0.371 120.919 121.223 0.112 0.000 2.023 971 L HA -0.096 4.244 4.340 0.001 0.000 0.205 971 L C 2.413 179.309 176.870 0.043 0.000 1.073 971 L CA 1.927 56.829 54.840 0.103 0.000 0.745 971 L CB -0.905 41.228 42.059 0.124 0.000 0.900 971 L HN 0.238 nan 8.230 nan 0.000 0.435 972 K N -0.640 119.761 120.400 0.001 0.000 2.228 972 K HA -0.212 4.108 4.320 0.001 0.000 0.205 972 K C 1.824 178.413 176.600 -0.018 0.000 1.045 972 K CA 1.173 57.446 56.287 -0.024 0.000 0.931 972 K CB 0.026 32.480 32.500 -0.077 0.000 0.727 972 K HN 0.171 nan 8.250 nan 0.000 0.458 973 I N -0.131 120.418 120.570 -0.035 0.000 3.854 973 I HA -0.025 4.145 4.170 0.001 0.000 0.312 973 I C 1.331 177.494 176.117 0.077 0.000 1.273 973 I CA 0.777 62.069 61.300 -0.013 0.000 1.298 973 I CB 0.145 38.073 38.000 -0.119 0.000 1.071 973 I HN 0.045 nan 8.210 nan 0.000 0.428 974 S N 0.674 116.420 115.700 0.076 0.000 2.384 974 S HA 0.047 4.517 4.470 0.001 0.000 0.217 974 S C 1.826 176.503 174.600 0.128 0.000 1.041 974 S CA 0.125 58.396 58.200 0.118 0.000 0.948 974 S CB -0.199 63.058 63.200 0.096 0.000 0.872 974 S HN 0.266 nan 8.310 nan 0.000 0.512 975 L N 3.270 124.545 121.223 0.086 0.000 2.137 975 L HA -0.078 4.263 4.340 0.001 0.000 0.213 975 L C -1.134 175.758 176.870 0.037 0.000 1.085 975 L CA 1.901 56.776 54.840 0.058 0.000 0.760 975 L CB -1.909 40.177 42.059 0.045 0.000 0.893 975 L HN 0.234 nan 8.230 nan 0.000 0.434 976 P HA -0.076 nan 4.420 nan 0.000 0.242 976 P C 1.826 179.028 177.300 -0.163 0.000 1.197 976 P CA 0.473 63.557 63.100 -0.026 0.000 0.765 976 P CB -0.011 31.700 31.700 0.018 0.000 0.936 977 V N 0.113 119.975 119.914 -0.086 0.000 2.759 977 V HA -0.162 3.958 4.120 0.001 0.000 0.256 977 V C 2.142 178.167 176.094 -0.115 0.000 1.080 977 V CA 1.215 63.412 62.300 -0.171 0.000 1.101 977 V CB -0.790 31.074 31.823 0.068 0.000 0.698 977 V HN -0.074 nan 8.190 nan 0.000 0.477 978 I N 0.859 121.395 120.570 -0.057 0.000 2.252 978 I HA -0.067 4.103 4.170 0.001 0.000 0.245 978 I C 2.686 178.774 176.117 -0.049 0.000 1.102 978 I CA 1.748 63.028 61.300 -0.034 0.000 1.385 978 I CB -2.079 35.914 38.000 -0.013 0.000 1.064 978 I HN 0.387 nan 8.210 nan 0.000 0.414 979 G N 1.112 109.869 108.800 -0.071 0.000 2.422 979 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 979 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 979 G C 1.747 176.598 174.900 -0.082 0.000 1.140 979 G CA 0.574 45.632 45.100 -0.070 0.000 0.775 979 G HN 0.326 nan 8.290 nan 0.000 0.545 980 L N 0.823 121.958 121.223 -0.147 0.000 2.005 980 L HA 0.044 4.384 4.340 0.001 0.000 0.207 980 L C 2.126 178.957 176.870 -0.065 0.000 1.072 980 L CA 2.537 57.283 54.840 -0.156 0.000 0.744 980 L CB -0.681 41.186 42.059 -0.321 0.000 0.895 980 L HN 0.140 nan 8.230 nan 0.000 0.433 981 D N -0.759 119.609 120.400 -0.055 0.000 2.144 981 D HA -0.217 4.424 4.640 0.001 0.000 0.200 981 D C 2.081 178.422 176.300 0.068 0.000 0.978 981 D CA 0.948 54.955 54.000 0.010 0.000 0.833 981 D CB 0.104 40.911 40.800 0.012 0.000 0.961 981 D HN 0.435 nan 8.370 nan 0.000 0.470 982 E N -0.168 120.058 120.200 0.043 0.000 2.130 982 E HA -0.146 4.204 4.350 0.001 0.000 0.196 982 E C 2.019 178.695 176.600 0.126 0.000 0.998 982 E CA 0.799 57.240 56.400 0.068 0.000 0.806 982 E CB -0.158 29.552 29.700 0.017 0.000 0.738 982 E HN 0.279 nan 8.360 nan 0.000 0.459 983 I N 0.096 120.728 120.570 0.104 0.000 2.233 983 I HA -0.196 3.975 4.170 0.001 0.000 0.243 983 I C 2.296 178.580 176.117 0.278 0.000 1.093 983 I CA 0.968 62.369 61.300 0.169 0.000 1.380 983 I CB -1.104 36.955 38.000 0.098 0.000 1.067 983 I HN 0.205 nan 8.210 nan 0.000 0.413 984 L N 0.293 121.659 121.223 0.238 0.000 2.191 984 L HA -0.209 4.131 4.340 0.001 0.000 0.212 984 L C 2.451 179.590 176.870 0.448 0.000 1.103 984 L CA 1.302 56.357 54.840 0.359 0.000 0.769 984 L CB -0.466 41.705 42.059 0.187 0.000 0.908 984 L HN 0.231 nan 8.230 nan 0.000 0.438 985 K N -0.982 119.603 120.400 0.308 0.000 2.167 985 K HA -0.118 4.202 4.320 0.001 0.000 0.203 985 K C 1.990 178.743 176.600 0.255 0.000 1.052 985 K CA 0.923 57.370 56.287 0.266 0.000 0.956 985 K CB -0.049 32.565 32.500 0.190 0.000 0.735 985 K HN 0.075 nan 8.250 nan 0.000 0.451 986 F N 1.743 121.772 119.950 0.131 0.000 2.259 986 F HA -0.137 4.391 4.527 0.001 0.000 0.298 986 F C 1.726 177.611 175.800 0.142 0.000 1.088 986 F CA 0.871 58.936 58.000 0.108 0.000 1.358 986 F CB 0.093 39.151 39.000 0.096 0.000 1.040 986 F HN -0.125 nan 8.300 nan 0.000 0.505 987 I N 0.540 121.254 120.570 0.240 0.000 2.142 987 I HA -0.222 3.948 4.170 0.001 0.000 0.240 987 I C 2.577 178.645 176.117 -0.083 0.000 1.078 987 I CA 1.580 62.960 61.300 0.133 0.000 1.343 987 I CB -2.114 36.035 38.000 0.248 0.000 1.046 987 I HN 0.169 nan 8.210 nan 0.000 0.405 988 A N 0.088 122.805 122.820 -0.171 0.000 2.235 988 A HA -0.110 4.210 4.320 0.001 0.000 0.208 988 A C 2.380 179.838 177.584 -0.209 0.000 1.172 988 A CA 0.659 52.449 52.037 -0.412 0.000 0.786 988 A CB -0.607 18.189 19.000 -0.340 0.000 0.804 988 A HN 0.407 nan 8.150 nan 0.000 0.479 989 R N -0.933 119.474 120.500 -0.154 0.000 2.308 989 R HA 0.144 4.484 4.340 0.001 0.000 0.202 989 R C 0.293 176.421 176.300 -0.286 0.000 0.898 989 R CA 0.440 56.437 56.100 -0.171 0.000 1.046 989 R CB 0.158 30.394 30.300 -0.106 0.000 1.026 989 R HN 0.388 nan 8.270 nan 0.000 0.512 990 N N -0.794 117.682 118.700 -0.374 0.000 2.160 990 N HA 0.081 4.821 4.740 0.001 0.000 0.226 990 N C -0.500 174.530 175.510 -0.800 0.000 1.256 990 N CA 0.236 52.934 53.050 -0.587 0.000 0.890 990 N CB 0.971 38.969 38.487 -0.814 0.000 1.116 990 N HN 0.183 nan 8.380 nan 0.000 0.517 991 Y N -0.594 119.536 120.300 -0.283 0.000 2.557 991 Y HA 0.375 4.926 4.550 0.001 0.000 0.275 991 Y C 0.219 175.955 175.900 -0.274 0.000 1.163 991 Y CA -0.035 57.913 58.100 -0.253 0.000 1.086 991 Y CB 1.382 39.688 38.460 -0.256 0.000 1.338 991 Y HN -0.192 nan 8.280 nan 0.000 0.534 992 L N 2.237 123.330 121.223 -0.216 0.000 2.488 992 L HA 0.416 4.756 4.340 0.001 0.000 0.250 992 L C -1.460 175.259 176.870 -0.252 0.000 1.280 992 L CA -0.258 54.410 54.840 -0.288 0.000 0.929 992 L CB 0.981 42.737 42.059 -0.506 0.000 1.200 992 L HN -0.030 nan 8.230 nan 0.000 0.495 993 E N 1.187 121.291 120.200 -0.159 0.000 2.151 993 E HA 0.836 5.187 4.350 0.001 0.000 0.275 993 E C 0.254 176.813 176.600 -0.068 0.000 0.936 993 E CA -0.503 55.833 56.400 -0.107 0.000 0.777 993 E CB 2.130 31.771 29.700 -0.097 0.000 1.108 993 E HN 0.451 nan 8.360 nan 0.000 0.401 994 G N 0.000 108.779 108.800 -0.035 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 45.092 45.100 -0.013 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925