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 2eas_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 0.000 176.189 176.300 -0.185 0.000 1.140 1 M CA 0.000 55.169 55.300 -0.219 0.000 0.988 1 M CB 0.000 32.477 32.600 -0.206 0.000 1.302 2 E N 2.915 122.982 120.200 -0.220 0.000 2.222 2 E HA 0.776 5.154 4.350 0.047 0.000 0.267 2 E C 0.392 176.851 176.600 -0.235 0.000 0.963 2 E CA 0.004 56.306 56.400 -0.164 0.000 0.837 2 E CB 1.669 31.304 29.700 -0.109 0.000 1.183 2 E HN 0.995 nan 8.360 nan 0.000 0.403 3 A N 0.965 123.624 122.820 -0.269 0.000 2.872 3 A HA -0.287 4.061 4.320 0.047 0.000 0.273 3 A C 1.464 178.688 177.584 -0.601 0.000 1.442 3 A CA 1.043 52.754 52.037 -0.543 0.000 0.801 3 A CB -2.246 16.557 19.000 -0.329 0.000 1.031 3 A HN 0.771 nan 8.150 nan 0.000 0.582 4 A N 0.502 123.082 122.820 -0.400 0.000 1.883 4 A HA -0.192 4.157 4.320 0.047 0.000 0.217 4 A C 1.823 179.281 177.584 -0.211 0.000 1.186 4 A CA 2.083 53.973 52.037 -0.245 0.000 0.624 4 A CB -1.202 17.716 19.000 -0.137 0.000 0.822 4 A HN 1.663 nan 8.150 nan 0.000 0.444 5 H N -0.273 118.769 119.070 -0.047 0.000 2.496 5 H HA -0.110 4.475 4.556 0.047 0.000 0.296 5 H C 1.568 176.876 175.328 -0.033 0.000 1.107 5 H CA 1.553 57.578 56.048 -0.039 0.000 1.263 5 H CB -0.403 29.346 29.762 -0.021 0.000 1.369 5 H HN 0.576 nan 8.280 nan 0.000 0.541 6 S N -0.249 115.388 115.700 -0.105 0.000 2.556 6 S HA 0.193 4.691 4.470 0.047 0.000 0.216 6 S C 0.323 174.901 174.600 -0.037 0.000 0.970 6 S CA -0.625 57.592 58.200 0.029 0.000 0.912 6 S CB 0.417 63.596 63.200 -0.036 0.000 0.790 6 S HN 0.105 nan 8.310 nan 0.000 0.504 7 K N 2.811 123.172 120.400 -0.065 0.000 2.270 7 K HA 0.451 4.799 4.320 0.047 0.000 0.255 7 K C -0.065 176.525 176.600 -0.018 0.000 0.936 7 K CA -0.358 55.901 56.287 -0.046 0.000 0.809 7 K CB 1.819 34.276 32.500 -0.071 0.000 1.131 7 K HN 0.354 nan 8.250 nan 0.000 0.427 8 S N 0.180 115.877 115.700 -0.005 0.000 2.579 8 S HA -0.009 4.489 4.470 0.047 0.000 0.275 8 S C 1.427 176.032 174.600 0.008 0.000 1.345 8 S CA 0.268 58.469 58.200 0.001 0.000 1.031 8 S CB 0.387 63.589 63.200 0.004 0.000 0.892 8 S HN 0.631 nan 8.310 nan 0.000 0.529 9 T N 0.683 115.241 114.554 0.006 0.000 2.653 9 T HA -0.238 4.141 4.350 0.047 0.000 0.268 9 T C 1.292 176.009 174.700 0.028 0.000 1.035 9 T CA 1.876 63.982 62.100 0.010 0.000 1.154 9 T CB -0.939 67.930 68.868 0.002 0.000 0.862 9 T HN 0.732 nan 8.240 nan 0.000 0.441 10 E N 1.774 121.990 120.200 0.027 0.000 2.021 10 E HA -0.147 4.232 4.350 0.047 0.000 0.200 10 E C 2.358 178.992 176.600 0.056 0.000 1.015 10 E CA 1.854 58.276 56.400 0.037 0.000 0.824 10 E CB -0.441 29.276 29.700 0.027 0.000 0.762 10 E HN 0.735 nan 8.360 nan 0.000 0.454 11 E N -0.284 119.947 120.200 0.051 0.000 2.118 11 E HA -0.204 4.174 4.350 0.047 0.000 0.195 11 E C 2.093 178.763 176.600 0.116 0.000 0.992 11 E CA 1.102 57.544 56.400 0.070 0.000 0.804 11 E CB -0.318 29.408 29.700 0.043 0.000 0.741 11 E HN 0.247 nan 8.360 nan 0.000 0.458 12 C N 0.401 119.759 119.300 0.097 0.000 2.432 12 C HA -0.029 4.460 4.460 0.047 0.000 0.282 12 C C 2.372 177.504 174.990 0.237 0.000 1.388 12 C CA 0.404 59.508 59.018 0.143 0.000 1.777 12 C CB -0.814 26.961 27.740 0.058 0.000 1.882 12 C HN 0.384 nan 8.230 nan 0.000 0.520 13 L N 0.158 121.482 121.223 0.168 0.000 2.102 13 L HA 0.022 4.390 4.340 0.047 0.000 0.202 13 L C 2.877 179.880 176.870 0.223 0.000 1.076 13 L CA 1.339 56.283 54.840 0.174 0.000 0.761 13 L CB -0.747 41.371 42.059 0.098 0.000 0.921 13 L HN 0.251 nan 8.230 nan 0.000 0.444 14 A N -0.535 122.385 122.820 0.166 0.000 1.940 14 A HA -0.315 4.034 4.320 0.047 0.000 0.219 14 A C 2.186 179.848 177.584 0.130 0.000 1.176 14 A CA 1.649 53.762 52.037 0.126 0.000 0.631 14 A CB -1.012 18.042 19.000 0.089 0.000 0.814 14 A HN 0.512 nan 8.150 nan 0.000 0.446 15 Y N -0.992 119.352 120.300 0.075 0.000 2.256 15 Y HA -0.216 4.363 4.550 0.047 0.000 0.288 15 Y C 1.321 177.113 175.900 -0.179 0.000 1.155 15 Y CA 2.052 60.118 58.100 -0.057 0.000 1.203 15 Y CB -0.156 38.263 38.460 -0.070 0.000 0.980 15 Y HN 0.287 nan 8.280 nan 0.000 0.530 16 F N -0.113 119.884 119.950 0.077 0.000 2.678 16 F HA 0.363 4.918 4.527 0.047 0.000 0.305 16 F C 1.362 177.209 175.800 0.079 0.000 1.090 16 F CA 0.205 58.245 58.000 0.067 0.000 1.272 16 F CB 0.065 39.162 39.000 0.161 0.000 1.060 16 F HN -0.007 nan 8.300 nan 0.000 0.576 17 G N 2.196 111.107 108.800 0.185 0.000 2.274 17 G HA2 -0.081 3.907 3.960 0.047 0.000 0.251 17 G HA3 -0.081 3.907 3.960 0.047 0.000 0.251 17 G C -0.659 174.327 174.900 0.143 0.000 0.836 17 G CA 0.267 45.439 45.100 0.121 0.000 1.246 17 G HN 0.219 nan 8.290 nan 0.000 0.355 18 V N 0.628 120.624 119.914 0.137 0.000 3.188 18 V HA 0.815 4.964 4.120 0.047 0.000 0.305 18 V C 0.205 176.346 176.094 0.078 0.000 1.232 18 V CA -0.383 61.983 62.300 0.109 0.000 1.043 18 V CB 2.193 34.089 31.823 0.122 0.000 1.068 18 V HN 0.937 nan 8.190 nan 0.000 0.439 19 S N -0.098 115.640 115.700 0.063 0.000 2.451 19 S HA 0.304 4.803 4.470 0.047 0.000 0.301 19 S C 0.746 175.377 174.600 0.053 0.000 1.116 19 S CA -0.361 57.870 58.200 0.052 0.000 1.093 19 S CB 1.371 64.598 63.200 0.045 0.000 1.017 19 S HN 0.905 nan 8.310 nan 0.000 0.482 20 E N 2.388 122.614 120.200 0.044 0.000 2.333 20 E HA -0.136 4.242 4.350 0.047 0.000 0.198 20 E C 1.358 177.997 176.600 0.066 0.000 1.007 20 E CA 1.710 58.133 56.400 0.038 0.000 0.845 20 E CB 0.050 29.764 29.700 0.024 0.000 0.766 20 E HN 0.870 nan 8.360 nan 0.000 0.507 21 T N -2.913 111.682 114.554 0.069 0.000 2.983 21 T HA -0.047 4.331 4.350 0.047 0.000 0.250 21 T C 2.064 176.816 174.700 0.087 0.000 1.037 21 T CA 1.004 63.154 62.100 0.082 0.000 1.142 21 T CB -0.213 68.686 68.868 0.051 0.000 0.876 21 T HN 0.183 nan 8.240 nan 0.000 0.455 22 T N -0.550 114.044 114.554 0.067 0.000 2.815 22 T HA 0.546 4.924 4.350 0.047 0.000 0.244 22 T C 1.500 176.246 174.700 0.077 0.000 1.040 22 T CA 0.764 62.897 62.100 0.055 0.000 1.176 22 T CB -0.770 68.120 68.868 0.036 0.000 0.880 22 T HN 1.145 nan 8.240 nan 0.000 0.414 23 G N 0.848 109.692 108.800 0.074 0.000 2.306 23 G HA2 0.118 4.106 3.960 0.047 0.000 0.262 23 G HA3 0.118 4.106 3.960 0.047 0.000 0.262 23 G C -1.528 173.408 174.900 0.060 0.000 1.263 23 G CA -0.566 44.583 45.100 0.080 0.000 1.088 23 G HN 0.624 nan 8.290 nan 0.000 0.489 24 L N 2.024 123.281 121.223 0.056 0.000 2.276 24 L HA 0.485 4.854 4.340 0.047 0.000 0.286 24 L C 1.608 178.482 176.870 0.007 0.000 1.061 24 L CA -0.150 54.709 54.840 0.033 0.000 0.807 24 L CB 1.353 43.437 42.059 0.042 0.000 1.177 24 L HN 0.995 nan 8.230 nan 0.000 0.429 25 T N 0.091 114.635 114.554 -0.017 0.000 2.900 25 T HA 0.132 4.511 4.350 0.047 0.000 0.307 25 T C -1.332 173.348 174.700 -0.032 0.000 1.065 25 T CA -1.350 60.737 62.100 -0.021 0.000 1.105 25 T CB 0.987 69.837 68.868 -0.029 0.000 0.979 25 T HN 0.488 nan 8.240 nan 0.000 0.544 26 P HA -0.101 nan 4.420 nan 0.000 0.221 26 P C 0.805 178.085 177.300 -0.035 0.000 1.145 26 P CA 1.263 64.352 63.100 -0.018 0.000 0.795 26 P CB 0.112 31.807 31.700 -0.010 0.000 0.775 27 D N -0.471 119.901 120.400 -0.047 0.000 2.137 27 D HA -0.111 4.558 4.640 0.047 0.000 0.202 27 D C 2.296 178.531 176.300 -0.109 0.000 0.970 27 D CA 0.891 54.854 54.000 -0.061 0.000 0.837 27 D CB -0.254 40.515 40.800 -0.052 0.000 0.981 27 D HN 0.075 nan 8.370 nan 0.000 0.475 28 Q N -0.139 119.570 119.800 -0.151 0.000 2.030 28 Q HA -0.144 4.225 4.340 0.047 0.000 0.204 28 Q C 2.377 178.166 176.000 -0.352 0.000 0.986 28 Q CA 1.446 57.052 55.803 -0.328 0.000 0.843 28 Q CB -0.129 28.422 28.738 -0.311 0.000 0.904 28 Q HN 0.220 nan 8.270 nan 0.000 0.420 29 V N 1.559 121.376 119.914 -0.160 0.000 2.250 29 V HA -0.344 3.804 4.120 0.047 0.000 0.250 29 V C 2.162 178.239 176.094 -0.028 0.000 1.060 29 V CA 2.128 64.399 62.300 -0.049 0.000 1.030 29 V CB -0.573 31.250 31.823 0.000 0.000 0.643 29 V HN 0.342 nan 8.190 nan 0.000 0.445 30 K N -0.472 119.903 120.400 -0.042 0.000 2.009 30 K HA -0.242 4.106 4.320 0.047 0.000 0.210 30 K C 2.339 178.914 176.600 -0.043 0.000 1.049 30 K CA 1.779 58.049 56.287 -0.029 0.000 0.929 30 K CB -0.327 32.157 32.500 -0.028 0.000 0.714 30 K HN 0.185 nan 8.250 nan 0.000 0.440 31 R N 0.941 121.397 120.500 -0.073 0.000 2.132 31 R HA -0.189 4.179 4.340 0.047 0.000 0.233 31 R C 2.035 178.323 176.300 -0.020 0.000 1.125 31 R CA 2.155 58.214 56.100 -0.069 0.000 0.914 31 R CB -0.868 29.366 30.300 -0.110 0.000 0.845 31 R HN 0.463 nan 8.270 nan 0.000 0.431 32 H N -0.481 118.541 119.070 -0.080 0.000 2.251 32 H HA -0.168 4.416 4.556 0.047 0.000 0.294 32 H C 2.167 177.420 175.328 -0.125 0.000 1.078 32 H CA 1.332 57.310 56.048 -0.116 0.000 1.246 32 H CB -0.299 29.524 29.762 0.102 0.000 1.358 32 H HN 0.175 nan 8.280 nan 0.000 0.488 33 L N 0.831 122.112 121.223 0.096 0.000 2.123 33 L HA -0.305 4.064 4.340 0.047 0.000 0.217 33 L C 2.449 179.253 176.870 -0.109 0.000 1.081 33 L CA 1.591 56.419 54.840 -0.020 0.000 0.772 33 L CB -0.104 41.925 42.059 -0.049 0.000 0.890 33 L HN 0.305 nan 8.230 nan 0.000 0.437 34 E N 0.249 120.394 120.200 -0.091 0.000 2.028 34 E HA -0.251 4.127 4.350 0.047 0.000 0.190 34 E C 2.107 178.634 176.600 -0.123 0.000 0.984 34 E CA 1.719 58.061 56.400 -0.097 0.000 0.800 34 E CB -0.152 29.505 29.700 -0.071 0.000 0.758 34 E HN 0.360 nan 8.360 nan 0.000 0.448 35 K N -0.980 119.294 120.400 -0.210 0.000 2.001 35 K HA -0.221 4.127 4.320 0.047 0.000 0.214 35 K C 2.114 178.559 176.600 -0.260 0.000 1.050 35 K CA 2.019 58.104 56.287 -0.337 0.000 0.934 35 K CB -0.361 31.730 32.500 -0.682 0.000 0.718 35 K HN 0.250 nan 8.250 nan 0.000 0.443 36 Y N -0.788 119.519 120.300 0.011 0.000 2.170 36 Y HA 0.182 4.761 4.550 0.047 0.000 0.280 36 Y C 1.403 177.294 175.900 -0.015 0.000 1.097 36 Y CA 0.189 58.293 58.100 0.008 0.000 1.087 36 Y CB 0.078 38.553 38.460 0.023 0.000 1.016 36 Y HN 0.418 nan 8.280 nan 0.000 0.485 37 G N -1.336 107.525 108.800 0.102 0.000 2.347 37 G HA2 -0.062 3.926 3.960 0.047 0.000 0.477 37 G HA3 -0.062 3.926 3.960 0.047 0.000 0.477 37 G C -1.663 173.202 174.900 -0.058 0.000 1.349 37 G CA -1.117 43.956 45.100 -0.045 0.000 1.000 37 G HN 0.255 nan 8.290 nan 0.000 0.605 38 H N 0.634 119.757 119.070 0.088 0.000 3.004 38 H HA 0.092 4.677 4.556 0.047 0.000 0.316 38 H C 1.184 176.555 175.328 0.072 0.000 1.014 38 H CA 0.463 56.556 56.048 0.075 0.000 1.454 38 H CB 0.881 30.677 29.762 0.056 0.000 1.472 38 H HN 0.508 nan 8.280 nan 0.000 0.571 39 N N 3.492 122.294 118.700 0.169 0.000 3.058 39 N HA -0.097 4.672 4.740 0.047 0.000 0.317 39 N C -0.119 175.453 175.510 0.104 0.000 1.266 39 N CA -0.011 53.106 53.050 0.112 0.000 1.145 39 N CB -0.196 38.343 38.487 0.087 0.000 1.426 39 N HN 0.695 nan 8.380 nan 0.000 0.561 40 E N -0.896 119.375 120.200 0.119 0.000 2.339 40 E HA 0.444 4.822 4.350 0.047 0.000 0.262 40 E C -1.296 175.348 176.600 0.074 0.000 0.934 40 E CA -1.129 55.323 56.400 0.087 0.000 0.802 40 E CB 0.966 30.715 29.700 0.081 0.000 1.275 40 E HN -0.001 nan 8.360 nan 0.000 0.427 41 L N 1.959 123.216 121.223 0.056 0.000 2.287 41 L HA 0.450 4.818 4.340 0.047 0.000 0.287 41 L C -2.494 174.401 176.870 0.041 0.000 1.022 41 L CA -2.022 52.846 54.840 0.048 0.000 0.814 41 L CB 1.085 43.170 42.059 0.043 0.000 1.217 41 L HN 0.515 nan 8.230 nan 0.000 0.420 42 P HA 0.008 nan 4.420 nan 0.000 0.274 42 P C -1.155 176.161 177.300 0.027 0.000 1.209 42 P CA 0.268 63.390 63.100 0.036 0.000 0.790 42 P CB 0.422 32.142 31.700 0.034 0.000 0.834 43 A N 0.985 123.819 122.820 0.024 0.000 2.322 43 A HA 0.560 4.908 4.320 0.047 0.000 0.327 43 A C -0.614 176.980 177.584 0.017 0.000 1.134 43 A CA -0.436 51.613 52.037 0.019 0.000 0.831 43 A CB 0.702 19.712 19.000 0.016 0.000 1.288 43 A HN 0.460 nan 8.150 nan 0.000 0.472 44 E N 0.692 120.901 120.200 0.015 0.000 2.197 44 E HA 0.463 4.841 4.350 0.047 0.000 0.281 44 E C -1.050 175.559 176.600 0.015 0.000 0.995 44 E CA -0.023 56.385 56.400 0.014 0.000 0.808 44 E CB 1.198 30.905 29.700 0.011 0.000 1.093 44 E HN 0.555 nan 8.360 nan 0.000 0.394 45 E N 1.774 121.983 120.200 0.015 0.000 3.786 45 E HA 0.366 4.744 4.350 0.047 0.000 0.215 45 E C -0.038 176.571 176.600 0.015 0.000 1.188 45 E CA -0.365 56.045 56.400 0.017 0.000 1.248 45 E CB 0.922 30.633 29.700 0.019 0.000 1.260 45 E HN 0.630 nan 8.360 nan 0.000 0.426 46 G N 1.444 110.253 108.800 0.013 0.000 4.765 46 G HA2 0.048 4.036 3.960 0.047 0.000 0.276 46 G HA3 0.048 4.036 3.960 0.047 0.000 0.276 46 G C 0.370 175.277 174.900 0.012 0.000 0.986 46 G CA -0.363 44.742 45.100 0.009 0.000 0.755 46 G HN -0.015 nan 8.290 nan 0.000 0.391 47 K N 0.587 120.998 120.400 0.019 0.000 2.343 47 K HA 0.133 4.481 4.320 0.047 0.000 0.250 47 K C 1.475 178.093 176.600 0.030 0.000 1.087 47 K CA 0.527 56.828 56.287 0.024 0.000 0.853 47 K CB 0.120 32.636 32.500 0.027 0.000 1.133 47 K HN 0.157 nan 8.250 nan 0.000 0.509 48 S N 0.599 116.321 115.700 0.037 0.000 2.981 48 S HA -0.020 4.478 4.470 0.047 0.000 0.235 48 S C 0.366 175.005 174.600 0.065 0.000 0.983 48 S CA -0.157 58.071 58.200 0.046 0.000 1.051 48 S CB -0.670 62.557 63.200 0.046 0.000 0.814 48 S HN 0.298 nan 8.310 nan 0.000 0.518 49 L N 1.863 123.127 121.223 0.069 0.000 2.456 49 L HA 0.255 4.623 4.340 0.047 0.000 0.272 49 L C 1.262 178.218 176.870 0.143 0.000 1.189 49 L CA -0.480 54.430 54.840 0.116 0.000 0.846 49 L CB 0.074 42.198 42.059 0.108 0.000 1.111 49 L HN 0.500 nan 8.230 nan 0.000 0.475 50 W N 3.177 124.484 121.300 0.012 0.000 2.231 50 W HA -0.399 4.289 4.660 0.047 0.000 0.323 50 W C 2.019 178.550 176.519 0.020 0.000 1.306 50 W CA 2.170 59.523 57.345 0.014 0.000 1.323 50 W CB -0.302 29.163 29.460 0.009 0.000 1.120 50 W HN 0.870 nan 8.180 nan 0.000 0.503 51 E N 0.491 120.513 120.200 -0.298 0.000 2.312 51 E HA -0.310 4.068 4.350 0.047 0.000 0.209 51 E C 1.896 178.309 176.600 -0.312 0.000 1.047 51 E CA 2.577 58.700 56.400 -0.462 0.000 0.840 51 E CB -0.869 28.709 29.700 -0.204 0.000 0.738 51 E HN 0.596 nan 8.360 nan 0.000 0.478 52 L N -0.720 120.406 121.223 -0.161 0.000 2.035 52 L HA -0.385 3.983 4.340 0.047 0.000 0.243 52 L C 2.396 179.199 176.870 -0.112 0.000 1.100 52 L CA 2.272 57.058 54.840 -0.091 0.000 0.835 52 L CB -1.231 40.813 42.059 -0.024 0.000 0.927 52 L HN 0.146 nan 8.230 nan 0.000 0.442 53 V N -0.252 119.606 119.914 -0.093 0.000 2.237 53 V HA -0.325 3.823 4.120 0.047 0.000 0.245 53 V C 2.221 178.287 176.094 -0.046 0.000 1.046 53 V CA 2.072 64.340 62.300 -0.053 0.000 1.007 53 V CB -0.490 31.352 31.823 0.032 0.000 0.638 53 V HN 0.491 nan 8.190 nan 0.000 0.445 54 I N -0.297 120.193 120.570 -0.134 0.000 2.576 54 I HA -0.299 3.899 4.170 0.047 0.000 0.263 54 I C 2.432 178.492 176.117 -0.095 0.000 1.183 54 I CA 1.486 62.704 61.300 -0.137 0.000 1.432 54 I CB -0.083 37.611 38.000 -0.510 0.000 1.100 54 I HN 0.447 nan 8.210 nan 0.000 0.452 55 E N 0.342 120.465 120.200 -0.128 0.000 2.004 55 E HA -0.294 4.084 4.350 0.047 0.000 0.193 55 E C 1.953 178.519 176.600 -0.057 0.000 0.985 55 E CA 1.484 57.827 56.400 -0.095 0.000 0.832 55 E CB -0.467 29.174 29.700 -0.098 0.000 0.787 55 E HN 0.520 nan 8.360 nan 0.000 0.466 56 Q N 0.194 119.940 119.800 -0.091 0.000 2.242 56 Q HA -0.177 4.192 4.340 0.047 0.000 0.211 56 Q C 1.199 177.108 176.000 -0.152 0.000 0.992 56 Q CA 1.230 56.948 55.803 -0.140 0.000 0.889 56 Q CB -0.434 28.174 28.738 -0.218 0.000 0.913 56 Q HN 0.100 nan 8.270 nan 0.000 0.422 57 F N 0.732 120.642 119.950 -0.068 0.000 2.726 57 F HA 0.112 4.668 4.527 0.047 0.000 0.296 57 F C 0.981 176.748 175.800 -0.056 0.000 1.250 57 F CA 0.475 58.440 58.000 -0.058 0.000 1.434 57 F CB -0.058 38.905 39.000 -0.061 0.000 1.043 57 F HN 0.234 nan 8.300 nan 0.000 0.508 58 E N -1.391 118.865 120.200 0.093 0.000 2.485 58 E HA 0.000 4.378 4.350 0.047 0.000 0.213 58 E C 0.333 176.954 176.600 0.035 0.000 0.923 58 E CA -0.123 56.307 56.400 0.051 0.000 1.054 58 E CB 0.410 30.114 29.700 0.007 0.000 1.077 58 E HN 0.208 nan 8.360 nan 0.000 0.509 59 D N -0.015 120.398 120.400 0.023 0.000 2.360 59 D HA 0.034 4.702 4.640 0.047 0.000 0.242 59 D C 1.323 177.638 176.300 0.025 0.000 1.184 59 D CA 0.090 54.098 54.000 0.012 0.000 0.930 59 D CB 0.943 41.739 40.800 -0.006 0.000 1.161 59 D HN -0.125 nan 8.370 nan 0.000 0.447 60 L N 1.000 122.231 121.223 0.013 0.000 1.938 60 L HA -0.103 4.265 4.340 0.047 0.000 0.212 60 L C 2.557 179.436 176.870 0.015 0.000 1.085 60 L CA 0.538 55.384 54.840 0.011 0.000 0.760 60 L CB -0.862 41.196 42.059 -0.003 0.000 0.888 60 L HN 0.450 nan 8.230 nan 0.000 0.433 61 L N 0.120 121.345 121.223 0.003 0.000 2.010 61 L HA -0.264 4.104 4.340 0.047 0.000 0.219 61 L C 2.758 179.642 176.870 0.024 0.000 1.077 61 L CA 1.392 56.234 54.840 0.004 0.000 0.773 61 L CB -0.643 41.414 42.059 -0.004 0.000 0.892 61 L HN 0.192 nan 8.230 nan 0.000 0.436 62 V N -0.094 119.835 119.914 0.024 0.000 2.660 62 V HA -0.291 3.858 4.120 0.047 0.000 0.257 62 V C 2.583 178.750 176.094 0.121 0.000 1.088 62 V CA 1.763 64.090 62.300 0.045 0.000 1.106 62 V CB -0.482 31.332 31.823 -0.014 0.000 0.686 62 V HN 0.404 nan 8.190 nan 0.000 0.481 63 R N -0.930 119.626 120.500 0.093 0.000 2.161 63 R HA 0.031 4.399 4.340 0.047 0.000 0.213 63 R C 2.115 178.451 176.300 0.059 0.000 1.055 63 R CA 1.073 57.227 56.100 0.090 0.000 0.996 63 R CB -0.150 30.183 30.300 0.056 0.000 0.901 63 R HN 0.403 nan 8.270 nan 0.000 0.456 64 I N 1.403 121.999 120.570 0.043 0.000 2.076 64 I HA -0.288 3.910 4.170 0.047 0.000 0.237 64 I C 2.264 178.408 176.117 0.045 0.000 1.059 64 I CA 1.590 62.908 61.300 0.031 0.000 1.317 64 I CB -1.047 36.963 38.000 0.016 0.000 1.037 64 I HN 0.207 nan 8.210 nan 0.000 0.398 65 L N -0.174 121.083 121.223 0.056 0.000 2.349 65 L HA -0.219 4.149 4.340 0.047 0.000 0.220 65 L C 2.410 179.328 176.870 0.079 0.000 1.130 65 L CA 0.647 55.527 54.840 0.066 0.000 0.791 65 L CB -0.399 41.701 42.059 0.070 0.000 0.918 65 L HN 0.273 nan 8.230 nan 0.000 0.444 66 L N -0.817 120.456 121.223 0.083 0.000 2.202 66 L HA -0.080 4.288 4.340 0.047 0.000 0.205 66 L C 2.086 178.967 176.870 0.019 0.000 1.083 66 L CA 1.156 56.027 54.840 0.051 0.000 0.790 66 L CB -0.229 41.860 42.059 0.049 0.000 0.942 66 L HN 0.086 nan 8.230 nan 0.000 0.452 67 L N 0.077 121.317 121.223 0.029 0.000 2.093 67 L HA -0.008 4.360 4.340 0.047 0.000 0.208 67 L C 2.324 179.222 176.870 0.048 0.000 1.085 67 L CA 2.076 56.932 54.840 0.027 0.000 0.755 67 L CB -0.950 41.124 42.059 0.025 0.000 0.904 67 L HN 0.229 nan 8.230 nan 0.000 0.435 68 A N -0.856 121.997 122.820 0.055 0.000 2.119 68 A HA 0.192 4.540 4.320 0.047 0.000 0.216 68 A C 2.302 179.940 177.584 0.089 0.000 1.152 68 A CA 0.992 53.074 52.037 0.074 0.000 0.708 68 A CB -0.816 18.224 19.000 0.067 0.000 0.805 68 A HN 0.521 nan 8.150 nan 0.000 0.460 69 A N -1.351 121.512 122.820 0.071 0.000 2.167 69 A HA 0.024 4.372 4.320 0.047 0.000 0.214 69 A C 1.999 179.633 177.584 0.083 0.000 1.151 69 A CA 1.326 53.405 52.037 0.071 0.000 0.735 69 A CB -0.801 18.214 19.000 0.024 0.000 0.802 69 A HN 0.586 nan 8.150 nan 0.000 0.467 70 C N -0.862 118.482 119.300 0.073 0.000 2.602 70 C HA 0.105 4.593 4.460 0.047 0.000 0.282 70 C C 2.396 177.478 174.990 0.153 0.000 1.313 70 C CA 0.232 59.302 59.018 0.087 0.000 1.699 70 C CB -0.909 26.854 27.740 0.039 0.000 2.124 70 C HN 0.546 nan 8.230 nan 0.000 0.509 71 I N 1.740 122.388 120.570 0.130 0.000 2.194 71 I HA -0.197 4.001 4.170 0.047 0.000 0.246 71 I C 2.730 178.950 176.117 0.171 0.000 1.093 71 I CA 1.792 63.178 61.300 0.143 0.000 1.355 71 I CB -1.680 36.408 38.000 0.148 0.000 1.046 71 I HN 0.364 nan 8.210 nan 0.000 0.413 72 S N 0.542 116.352 115.700 0.184 0.000 2.359 72 S HA -0.235 4.263 4.470 0.047 0.000 0.224 72 S C 2.087 176.857 174.600 0.284 0.000 1.035 72 S CA 1.239 59.567 58.200 0.212 0.000 1.018 72 S CB -0.528 62.795 63.200 0.206 0.000 0.876 72 S HN 0.357 nan 8.310 nan 0.000 0.448 73 F N 1.772 121.806 119.950 0.139 0.000 2.307 73 F HA -0.052 4.503 4.527 0.047 0.000 0.301 73 F C 1.888 177.813 175.800 0.209 0.000 1.076 73 F CA 0.944 59.039 58.000 0.159 0.000 1.383 73 F CB -0.234 38.799 39.000 0.055 0.000 1.055 73 F HN 0.082 nan 8.300 nan 0.000 0.526 74 V N -0.865 119.170 119.914 0.201 0.000 2.331 74 V HA -0.217 3.932 4.120 0.047 0.000 0.242 74 V C 2.269 178.492 176.094 0.216 0.000 1.034 74 V CA 1.114 63.497 62.300 0.138 0.000 1.027 74 V CB -0.705 31.164 31.823 0.077 0.000 0.667 74 V HN 0.155 nan 8.190 nan 0.000 0.457 75 L N 0.766 122.109 121.223 0.199 0.000 1.971 75 L HA -0.198 4.170 4.340 0.047 0.000 0.215 75 L C 2.648 179.622 176.870 0.174 0.000 1.072 75 L CA 2.508 57.463 54.840 0.193 0.000 0.758 75 L CB -1.325 40.829 42.059 0.158 0.000 0.889 75 L HN 0.304 nan 8.230 nan 0.000 0.433 76 A N -1.048 121.885 122.820 0.187 0.000 1.842 76 A HA -0.307 4.041 4.320 0.047 0.000 0.217 76 A C 2.228 179.890 177.584 0.131 0.000 1.206 76 A CA 2.094 54.222 52.037 0.153 0.000 0.630 76 A CB -1.491 17.728 19.000 0.365 0.000 0.839 76 A HN 0.628 nan 8.150 nan 0.000 0.447 77 W N -0.381 121.002 121.300 0.138 0.000 2.322 77 W HA -0.155 4.533 4.660 0.047 0.000 0.326 77 W C 0.702 177.257 176.519 0.059 0.000 1.224 77 W CA 1.555 58.968 57.345 0.114 0.000 1.257 77 W CB -0.968 28.462 29.460 -0.050 0.000 1.174 77 W HN 0.263 nan 8.180 nan 0.000 0.460 78 F N 2.921 123.061 119.950 0.318 0.000 2.613 78 F HA 0.174 4.729 4.527 0.047 0.000 0.341 78 F C -0.013 175.825 175.800 0.062 0.000 1.288 78 F CA 0.792 58.898 58.000 0.176 0.000 1.103 78 F CB -0.703 38.357 39.000 0.101 0.000 1.423 78 F HN -0.065 nan 8.300 nan 0.000 0.651 79 E N 3.144 123.171 120.200 -0.288 0.000 2.375 79 E HA 0.114 4.492 4.350 0.047 0.000 0.280 79 E C -0.369 176.057 176.600 -0.290 0.000 0.972 79 E CA -0.503 55.724 56.400 -0.289 0.000 0.782 79 E CB 1.327 30.938 29.700 -0.148 0.000 1.229 79 E HN 0.512 nan 8.360 nan 0.000 0.439 80 E N 1.215 121.265 120.200 -0.250 0.000 2.463 80 E HA 0.123 4.501 4.350 0.047 0.000 0.191 80 E C 0.431 176.939 176.600 -0.153 0.000 1.083 80 E CA 0.057 56.341 56.400 -0.194 0.000 0.872 80 E CB 0.483 30.087 29.700 -0.159 0.000 0.966 80 E HN 0.447 nan 8.360 nan 0.000 0.491 81 G N 1.506 110.210 108.800 -0.161 0.000 2.562 81 G HA2 0.093 4.082 3.960 0.047 0.000 0.275 81 G HA3 0.093 4.082 3.960 0.047 0.000 0.275 81 G C 0.445 175.243 174.900 -0.170 0.000 1.196 81 G CA -0.401 44.611 45.100 -0.147 0.000 0.908 81 G HN 0.168 nan 8.290 nan 0.000 0.524 82 E N 0.111 120.219 120.200 -0.153 0.000 2.812 82 E HA 0.152 4.530 4.350 0.047 0.000 0.211 82 E C -0.403 176.098 176.600 -0.165 0.000 0.986 82 E CA -0.235 56.069 56.400 -0.160 0.000 1.119 82 E CB 0.286 29.913 29.700 -0.121 0.000 1.046 82 E HN 0.327 nan 8.360 nan 0.000 0.474 83 E N 0.451 120.542 120.200 -0.182 0.000 2.349 83 E HA 0.208 4.586 4.350 0.047 0.000 0.262 83 E C 0.603 177.066 176.600 -0.230 0.000 1.088 83 E CA 0.200 56.495 56.400 -0.175 0.000 0.899 83 E CB 1.688 31.296 29.700 -0.153 0.000 1.044 83 E HN 0.084 nan 8.360 nan 0.000 0.420 84 T N 0.359 114.801 114.554 -0.185 0.000 2.978 84 T HA 0.057 4.436 4.350 0.047 0.000 0.248 84 T C 1.350 175.951 174.700 -0.164 0.000 1.018 84 T CA 0.141 62.127 62.100 -0.190 0.000 1.026 84 T CB 0.062 68.855 68.868 -0.126 0.000 1.032 84 T HN 0.362 nan 8.240 nan 0.000 0.485 85 I N 0.949 121.442 120.570 -0.129 0.000 2.494 85 I HA 0.250 4.448 4.170 0.047 0.000 0.250 85 I C 2.280 178.336 176.117 -0.102 0.000 1.112 85 I CA 1.394 62.636 61.300 -0.097 0.000 1.438 85 I CB -0.381 37.580 38.000 -0.066 0.000 1.111 85 I HN 0.191 nan 8.210 nan 0.000 0.431 86 T N 0.754 115.238 114.554 -0.117 0.000 3.088 86 T HA 0.334 4.712 4.350 0.047 0.000 0.259 86 T C 0.786 175.401 174.700 -0.142 0.000 1.122 86 T CA 0.419 62.455 62.100 -0.107 0.000 1.095 86 T CB -0.573 68.240 68.868 -0.093 0.000 0.930 86 T HN 0.366 nan 8.240 nan 0.000 0.508 87 A N 0.083 122.757 122.820 -0.244 0.000 2.309 87 A HA 0.647 4.995 4.320 0.047 0.000 0.298 87 A C 0.007 177.412 177.584 -0.297 0.000 1.165 87 A CA -0.559 51.224 52.037 -0.423 0.000 0.821 87 A CB -0.307 18.217 19.000 -0.793 0.000 1.102 87 A HN 0.617 nan 8.150 nan 0.000 0.500 88 F N 0.753 120.704 119.950 0.002 0.000 3.028 88 F HA -0.223 4.332 4.527 0.047 0.000 0.306 88 F C 0.852 176.708 175.800 0.094 0.000 0.896 88 F CA 0.053 58.099 58.000 0.076 0.000 1.184 88 F CB -1.863 37.163 39.000 0.043 0.000 1.213 88 F HN 0.320 nan 8.300 nan 0.000 0.629 89 V N -1.094 118.965 119.914 0.242 0.000 2.788 89 V HA -0.088 4.061 4.120 0.047 0.000 0.241 89 V C 1.929 178.173 176.094 0.249 0.000 1.083 89 V CA 1.707 64.124 62.300 0.195 0.000 1.103 89 V CB 0.275 32.128 31.823 0.051 0.000 0.800 89 V HN 0.441 nan 8.190 nan 0.000 0.476 90 E N 0.844 121.168 120.200 0.206 0.000 2.028 90 E HA -0.138 4.240 4.350 0.047 0.000 0.190 90 E C -0.769 175.979 176.600 0.246 0.000 0.984 90 E CA 1.310 57.822 56.400 0.188 0.000 0.800 90 E CB -0.530 29.261 29.700 0.152 0.000 0.758 90 E HN 0.438 nan 8.360 nan 0.000 0.448 91 P HA -0.052 nan 4.420 nan 0.000 0.239 91 P C 0.162 177.679 177.300 0.361 0.000 1.184 91 P CA 0.755 64.080 63.100 0.375 0.000 0.760 91 P CB 0.023 32.058 31.700 0.559 0.000 0.884 92 F N -1.082 118.980 119.950 0.186 0.000 2.390 92 F HA 0.021 4.576 4.527 0.047 0.000 0.281 92 F C 2.078 177.946 175.800 0.113 0.000 1.016 92 F CA 0.667 58.752 58.000 0.142 0.000 1.286 92 F CB -0.642 38.452 39.000 0.156 0.000 1.134 92 F HN -0.391 nan 8.300 nan 0.000 0.597 93 V N 1.397 121.455 119.914 0.239 0.000 2.214 93 V HA -0.343 3.805 4.120 0.047 0.000 0.245 93 V C 2.414 178.542 176.094 0.057 0.000 1.047 93 V CA 2.437 64.815 62.300 0.130 0.000 0.998 93 V CB -0.720 31.204 31.823 0.169 0.000 0.633 93 V HN 0.320 nan 8.190 nan 0.000 0.446 94 I N -0.595 120.028 120.570 0.087 0.000 2.399 94 I HA -0.267 3.932 4.170 0.047 0.000 0.254 94 I C 2.044 178.186 176.117 0.042 0.000 1.146 94 I CA 1.579 62.920 61.300 0.069 0.000 1.412 94 I CB -0.116 37.937 38.000 0.088 0.000 1.076 94 I HN 0.293 nan 8.210 nan 0.000 0.432 95 L N 0.052 121.282 121.223 0.012 0.000 2.629 95 L HA 0.042 4.411 4.340 0.047 0.000 0.230 95 L C 1.552 178.356 176.870 -0.110 0.000 1.151 95 L CA 0.101 54.919 54.840 -0.037 0.000 0.924 95 L CB 0.403 42.431 42.059 -0.053 0.000 1.137 95 L HN 0.284 nan 8.230 nan 0.000 0.457 96 L N -1.560 119.592 121.223 -0.119 0.000 2.590 96 L HA 0.145 4.513 4.340 0.047 0.000 0.181 96 L C 2.063 178.900 176.870 -0.054 0.000 1.134 96 L CA 0.548 55.294 54.840 -0.156 0.000 0.850 96 L CB -0.015 41.900 42.059 -0.239 0.000 1.172 96 L HN -0.009 nan 8.230 nan 0.000 0.498 97 I N 0.813 121.368 120.570 -0.024 0.000 2.300 97 I HA -0.361 3.838 4.170 0.047 0.000 0.252 97 I C 2.400 178.510 176.117 -0.011 0.000 1.119 97 I CA 1.523 62.816 61.300 -0.011 0.000 1.384 97 I CB -0.324 37.680 38.000 0.007 0.000 1.062 97 I HN 0.395 nan 8.210 nan 0.000 0.426 98 L N 0.288 121.531 121.223 0.032 0.000 2.017 98 L HA -0.214 4.154 4.340 0.047 0.000 0.208 98 L C 2.437 179.326 176.870 0.032 0.000 1.073 98 L CA 1.610 56.495 54.840 0.075 0.000 0.745 98 L CB -0.379 41.853 42.059 0.289 0.000 0.894 98 L HN 0.215 nan 8.230 nan 0.000 0.432 99 I N -0.607 120.021 120.570 0.098 0.000 2.830 99 I HA -0.176 4.022 4.170 0.047 0.000 0.263 99 I C 2.614 178.713 176.117 -0.030 0.000 1.230 99 I CA 0.614 61.958 61.300 0.073 0.000 1.480 99 I CB -0.445 37.593 38.000 0.062 0.000 1.095 99 I HN 0.178 nan 8.210 nan 0.000 0.455 100 A N 1.542 124.333 122.820 -0.049 0.000 1.832 100 A HA -0.162 4.186 4.320 0.047 0.000 0.214 100 A C 1.929 179.452 177.584 -0.101 0.000 1.204 100 A CA 1.602 53.598 52.037 -0.069 0.000 0.606 100 A CB -0.899 18.070 19.000 -0.053 0.000 0.849 100 A HN 0.448 nan 8.150 nan 0.000 0.445 101 N N 0.039 118.676 118.700 -0.104 0.000 2.571 101 N HA 0.130 4.899 4.740 0.047 0.000 0.189 101 N C 1.436 176.844 175.510 -0.169 0.000 1.154 101 N CA 0.367 53.345 53.050 -0.119 0.000 0.907 101 N CB -0.016 38.413 38.487 -0.097 0.000 0.977 101 N HN 0.536 nan 8.380 nan 0.000 0.449 102 A N 1.021 123.719 122.820 -0.204 0.000 1.887 102 A HA 0.064 4.412 4.320 0.047 0.000 0.212 102 A C 1.955 179.431 177.584 -0.180 0.000 1.198 102 A CA 0.404 52.281 52.037 -0.266 0.000 0.628 102 A CB -0.228 18.571 19.000 -0.335 0.000 0.847 102 A HN 0.154 nan 8.150 nan 0.000 0.449 103 I N 0.008 120.486 120.570 -0.154 0.000 2.756 103 I HA -0.146 4.052 4.170 0.047 0.000 0.262 103 I C 1.886 177.858 176.117 -0.241 0.000 1.225 103 I CA 0.641 61.841 61.300 -0.167 0.000 1.472 103 I CB -0.167 37.735 38.000 -0.164 0.000 1.094 103 I HN 0.115 nan 8.210 nan 0.000 0.454 104 V N 0.854 120.634 119.914 -0.222 0.000 2.599 104 V HA 0.016 4.164 4.120 0.047 0.000 0.245 104 V C 2.627 178.672 176.094 -0.082 0.000 1.046 104 V CA 1.640 63.800 62.300 -0.233 0.000 1.065 104 V CB -0.880 30.838 31.823 -0.175 0.000 0.703 104 V HN 0.495 nan 8.190 nan 0.000 0.464 105 G N -0.403 108.348 108.800 -0.082 0.000 2.442 105 G HA2 -0.171 3.817 3.960 0.047 0.000 0.219 105 G HA3 -0.171 3.817 3.960 0.047 0.000 0.219 105 G C 0.997 175.897 174.900 -0.001 0.000 1.141 105 G CA 1.218 46.292 45.100 -0.043 0.000 0.763 105 G HN 0.426 nan 8.290 nan 0.000 0.554 106 V N 0.700 120.602 119.914 -0.019 0.000 2.240 106 V HA 0.490 4.639 4.120 0.047 0.000 0.265 106 V C -0.934 175.223 176.094 0.104 0.000 1.073 106 V CA -1.078 61.237 62.300 0.025 0.000 0.857 106 V CB 0.416 32.228 31.823 -0.019 0.000 1.114 106 V HN 0.353 nan 8.190 nan 0.000 0.469 107 W N 5.182 126.464 121.300 -0.030 0.000 2.164 107 W HA 0.500 5.187 4.660 0.047 0.000 0.370 107 W C 0.530 177.038 176.519 -0.019 0.000 0.747 107 W CA -0.567 56.764 57.345 -0.022 0.000 2.688 107 W CB 0.840 30.288 29.460 -0.021 0.000 1.826 107 W HN 0.604 nan 8.180 nan 0.000 0.721 108 Q N -0.374 119.557 119.800 0.219 0.000 2.220 108 Q HA -0.003 4.365 4.340 0.047 0.000 0.205 108 Q C 1.698 177.762 176.000 0.108 0.000 0.865 108 Q CA 0.287 56.155 55.803 0.108 0.000 0.960 108 Q CB 0.514 29.289 28.738 0.061 0.000 1.097 108 Q HN 0.171 nan 8.270 nan 0.000 0.493 109 E N 0.818 121.127 120.200 0.183 0.000 2.028 109 E HA -0.109 4.269 4.350 0.047 0.000 0.190 109 E C 1.695 178.364 176.600 0.114 0.000 0.984 109 E CA 1.306 57.793 56.400 0.144 0.000 0.800 109 E CB 0.316 30.117 29.700 0.170 0.000 0.758 109 E HN 0.150 nan 8.360 nan 0.000 0.448 110 R N -0.480 120.101 120.500 0.135 0.000 2.428 110 R HA 0.123 4.491 4.340 0.047 0.000 0.193 110 R C 0.309 176.574 176.300 -0.058 0.000 0.852 110 R CA 0.611 56.741 56.100 0.050 0.000 1.055 110 R CB -0.689 29.665 30.300 0.090 0.000 1.343 110 R HN 0.037 nan 8.270 nan 0.000 0.655 111 N N 1.598 120.186 118.700 -0.187 0.000 2.878 111 N HA 0.242 5.011 4.740 0.047 0.000 0.282 111 N C -1.475 173.905 175.510 -0.217 0.000 1.284 111 N CA 0.365 53.198 53.050 -0.362 0.000 1.053 111 N CB 0.298 38.244 38.487 -0.901 0.000 1.382 111 N HN 0.439 nan 8.380 nan 0.000 0.529 112 A N 0.282 123.037 122.820 -0.107 0.000 2.547 112 A HA 0.411 4.760 4.320 0.047 0.000 0.300 112 A C -1.155 176.407 177.584 -0.037 0.000 1.061 112 A CA -0.836 51.162 52.037 -0.064 0.000 0.808 112 A CB 0.857 19.838 19.000 -0.031 0.000 1.304 112 A HN 0.344 nan 8.150 nan 0.000 0.393 113 E N 1.277 121.456 120.200 -0.036 0.000 2.343 113 E HA 0.363 4.741 4.350 0.047 0.000 0.270 113 E C -0.817 175.772 176.600 -0.019 0.000 0.895 113 E CA -1.098 55.287 56.400 -0.025 0.000 0.767 113 E CB 2.277 31.960 29.700 -0.030 0.000 1.248 113 E HN 0.624 nan 8.360 nan 0.000 0.440 114 N N 0.354 119.046 118.700 -0.013 0.000 2.476 114 N HA 0.284 5.053 4.740 0.047 0.000 0.275 114 N C -0.235 175.270 175.510 -0.008 0.000 1.190 114 N CA 0.236 53.281 53.050 -0.009 0.000 0.977 114 N CB 1.760 40.245 38.487 -0.004 0.000 1.200 114 N HN 0.557 nan 8.380 nan 0.000 0.515 115 A N 2.453 125.270 122.820 -0.005 0.000 1.942 115 A HA 0.177 4.525 4.320 0.047 0.000 0.209 115 A C 2.077 179.664 177.584 0.006 0.000 1.214 115 A CA 0.313 52.349 52.037 -0.001 0.000 0.686 115 A CB -0.333 18.664 19.000 -0.004 0.000 0.871 115 A HN 0.724 nan 8.150 nan 0.000 0.460 116 I N 0.359 120.932 120.570 0.005 0.000 2.614 116 I HA -0.180 4.019 4.170 0.047 0.000 0.258 116 I C 2.429 178.554 176.117 0.013 0.000 1.189 116 I CA 1.187 62.493 61.300 0.011 0.000 1.462 116 I CB -0.161 37.844 38.000 0.009 0.000 1.092 116 I HN 0.484 nan 8.210 nan 0.000 0.442 117 E N 2.320 122.524 120.200 0.007 0.000 2.038 117 E HA -0.282 4.097 4.350 0.047 0.000 0.195 117 E C 2.252 178.854 176.600 0.003 0.000 1.000 117 E CA 1.905 58.307 56.400 0.003 0.000 0.803 117 E CB -0.043 29.655 29.700 -0.003 0.000 0.750 117 E HN 0.435 nan 8.360 nan 0.000 0.448 118 A N 1.808 124.631 122.820 0.003 0.000 1.986 118 A HA -0.180 4.168 4.320 0.047 0.000 0.220 118 A C 2.334 179.942 177.584 0.041 0.000 1.171 118 A CA 1.380 53.419 52.037 0.004 0.000 0.640 118 A CB -0.604 18.408 19.000 0.020 0.000 0.811 118 A HN 0.358 nan 8.150 nan 0.000 0.451 119 L N -0.469 120.786 121.223 0.053 0.000 2.127 119 L HA -0.152 4.216 4.340 0.047 0.000 0.211 119 L C 2.098 179.008 176.870 0.067 0.000 1.089 119 L CA 1.984 56.867 54.840 0.072 0.000 0.757 119 L CB -1.032 41.056 42.059 0.047 0.000 0.899 119 L HN 0.482 nan 8.230 nan 0.000 0.434 120 K N -0.663 119.761 120.400 0.040 0.000 2.486 120 K HA -0.118 4.230 4.320 0.047 0.000 0.194 120 K C 1.679 178.292 176.600 0.021 0.000 1.033 120 K CA 0.157 56.463 56.287 0.032 0.000 1.004 120 K CB 0.314 32.825 32.500 0.020 0.000 0.798 120 K HN 0.399 nan 8.250 nan 0.000 0.495 121 E N 0.584 120.788 120.200 0.006 0.000 2.012 121 E HA -0.137 4.241 4.350 0.047 0.000 0.192 121 E C 1.158 177.746 176.600 -0.020 0.000 0.977 121 E CA 0.631 57.000 56.400 -0.052 0.000 0.832 121 E CB -0.280 29.336 29.700 -0.139 0.000 0.790 121 E HN 0.272 nan 8.360 nan 0.000 0.466 122 Y N 1.959 122.263 120.300 0.007 0.000 2.723 122 Y HA -0.174 4.404 4.550 0.047 0.000 0.286 122 Y C 0.491 176.399 175.900 0.014 0.000 1.159 122 Y CA 0.776 58.882 58.100 0.009 0.000 1.442 122 Y CB -0.161 38.304 38.460 0.008 0.000 0.959 122 Y HN 0.278 nan 8.280 nan 0.000 0.581 123 E N 2.205 122.495 120.200 0.150 0.000 2.289 123 E HA 0.173 4.551 4.350 0.047 0.000 0.278 123 E C -2.436 174.211 176.600 0.078 0.000 1.032 123 E CA -2.256 54.206 56.400 0.103 0.000 0.854 123 E CB 0.549 30.293 29.700 0.074 0.000 1.046 123 E HN 0.011 nan 8.360 nan 0.000 0.409 124 P HA -0.101 nan 4.420 nan 0.000 0.271 124 P C -0.248 177.077 177.300 0.042 0.000 1.233 124 P CA 0.160 63.293 63.100 0.055 0.000 0.795 124 P CB 0.967 32.696 31.700 0.048 0.000 0.936 125 E N -0.798 119.423 120.200 0.034 0.000 2.367 125 E HA 0.206 4.584 4.350 0.047 0.000 0.204 125 E C 0.346 176.963 176.600 0.028 0.000 0.840 125 E CA 0.036 56.453 56.400 0.028 0.000 1.051 125 E CB 0.559 30.272 29.700 0.021 0.000 1.051 125 E HN 0.361 nan 8.360 nan 0.000 0.509 126 M N 0.038 119.655 119.600 0.028 0.000 2.421 126 M HA 0.524 5.032 4.480 0.047 0.000 0.287 126 M C -1.532 174.785 176.300 0.028 0.000 1.183 126 M CA -0.542 54.775 55.300 0.029 0.000 0.916 126 M CB 2.361 34.976 32.600 0.026 0.000 1.701 126 M HN 0.091 nan 8.290 nan 0.000 0.470 127 G N 3.038 111.856 108.800 0.029 0.000 2.660 127 G HA2 0.603 4.591 3.960 0.047 0.000 0.294 127 G HA3 0.603 4.591 3.960 0.047 0.000 0.294 127 G C -1.901 173.019 174.900 0.032 0.000 1.369 127 G CA -0.819 44.295 45.100 0.024 0.000 0.912 127 G HN 0.574 nan 8.290 nan 0.000 0.479 128 K N 0.614 121.032 120.400 0.031 0.000 2.258 128 K HA 0.524 4.872 4.320 0.047 0.000 0.284 128 K C 0.029 176.664 176.600 0.057 0.000 1.051 128 K CA -0.542 55.783 56.287 0.063 0.000 0.923 128 K CB 1.529 34.080 32.500 0.086 0.000 1.046 128 K HN 0.764 nan 8.250 nan 0.000 0.474 129 V N -0.225 119.757 119.914 0.115 0.000 2.864 129 V HA 0.452 4.600 4.120 0.047 0.000 0.314 129 V C -0.799 175.496 176.094 0.336 0.000 1.073 129 V CA -1.095 61.278 62.300 0.123 0.000 0.956 129 V CB 1.413 33.282 31.823 0.077 0.000 1.023 129 V HN 0.720 nan 8.190 nan 0.000 0.435 130 Y N 2.881 123.180 120.300 -0.002 0.000 2.921 130 Y HA 0.472 5.051 4.550 0.047 0.000 0.346 130 Y C 0.985 176.886 175.900 0.002 0.000 1.182 130 Y CA -1.213 56.886 58.100 -0.001 0.000 1.319 130 Y CB 0.561 39.019 38.460 -0.004 0.000 1.403 130 Y HN 0.581 nan 8.280 nan 0.000 0.554 131 R N 0.418 121.000 120.500 0.137 0.000 2.774 131 R HA 0.155 4.523 4.340 0.047 0.000 0.269 131 R C 1.024 177.353 176.300 0.048 0.000 1.068 131 R CA 0.426 56.571 56.100 0.076 0.000 1.180 131 R CB 0.587 30.917 30.300 0.051 0.000 1.077 131 R HN 0.625 nan 8.270 nan 0.000 0.513 132 A N 1.307 124.146 122.820 0.032 0.000 1.930 132 A HA -0.153 4.196 4.320 0.047 0.000 0.215 132 A C 1.446 179.031 177.584 0.000 0.000 1.176 132 A CA 1.404 53.451 52.037 0.016 0.000 0.632 132 A CB -0.395 18.614 19.000 0.015 0.000 0.819 132 A HN 0.794 nan 8.150 nan 0.000 0.445 133 D N -0.218 120.182 120.400 0.001 0.000 2.280 133 D HA -0.172 4.497 4.640 0.047 0.000 0.206 133 D C 0.638 176.930 176.300 -0.013 0.000 0.988 133 D CA 1.075 55.072 54.000 -0.005 0.000 0.886 133 D CB -0.207 40.593 40.800 -0.001 0.000 0.914 133 D HN 0.482 nan 8.370 nan 0.000 0.473 134 R N -0.890 119.598 120.500 -0.020 0.000 2.522 134 R HA 0.257 4.626 4.340 0.047 0.000 0.283 134 R C 0.047 176.302 176.300 -0.074 0.000 1.074 134 R CA -0.608 55.469 56.100 -0.039 0.000 0.925 134 R CB 1.654 31.934 30.300 -0.032 0.000 1.205 134 R HN -0.127 nan 8.270 nan 0.000 0.436 135 K N 1.001 121.347 120.400 -0.090 0.000 2.569 135 K HA 0.091 4.439 4.320 0.047 0.000 0.193 135 K C 0.005 176.468 176.600 -0.230 0.000 1.026 135 K CA 0.304 56.507 56.287 -0.140 0.000 1.093 135 K CB 0.332 32.774 32.500 -0.097 0.000 0.849 135 K HN 0.335 nan 8.250 nan 0.000 0.509 136 S N -0.322 115.253 115.700 -0.209 0.000 2.578 136 S HA 0.137 4.636 4.470 0.047 0.000 0.301 136 S C -0.223 174.211 174.600 -0.277 0.000 1.091 136 S CA -0.805 57.256 58.200 -0.231 0.000 1.032 136 S CB 1.775 64.906 63.200 -0.115 0.000 1.064 136 S HN 0.045 nan 8.310 nan 0.000 0.508 137 V N 6.153 125.906 119.914 -0.267 0.000 1.929 137 V HA 0.068 4.216 4.120 0.047 0.000 0.238 137 V C 0.652 176.792 176.094 0.076 0.000 1.719 137 V CA 0.248 62.546 62.300 -0.003 0.000 1.654 137 V CB -1.514 30.430 31.823 0.201 0.000 1.574 137 V HN 0.840 nan 8.190 nan 0.000 0.497 138 Q N 4.489 124.314 119.800 0.043 0.000 2.283 138 Q HA 0.033 4.401 4.340 0.047 0.000 0.269 138 Q C 0.373 176.414 176.000 0.068 0.000 1.187 138 Q CA -0.217 55.613 55.803 0.045 0.000 0.922 138 Q CB -0.053 28.701 28.738 0.027 0.000 1.323 138 Q HN 0.835 nan 8.270 nan 0.000 0.432 139 R N 3.918 124.452 120.500 0.056 0.000 2.459 139 R HA 0.244 4.612 4.340 0.047 0.000 0.301 139 R C 0.175 176.501 176.300 0.042 0.000 1.286 139 R CA -0.279 55.852 56.100 0.052 0.000 1.046 139 R CB -0.620 29.706 30.300 0.043 0.000 1.071 139 R HN 0.728 nan 8.270 nan 0.000 0.512 140 I N -1.795 118.803 120.570 0.047 0.000 2.970 140 I HA 0.314 4.512 4.170 0.047 0.000 0.310 140 I C -0.077 176.065 176.117 0.041 0.000 1.010 140 I CA -1.213 60.112 61.300 0.043 0.000 1.228 140 I CB 0.827 38.857 38.000 0.050 0.000 1.433 140 I HN 0.318 nan 8.210 nan 0.000 0.573 141 K N 2.227 122.651 120.400 0.040 0.000 2.451 141 K HA 0.118 4.467 4.320 0.047 0.000 0.280 141 K C 1.043 177.672 176.600 0.048 0.000 1.020 141 K CA 0.455 56.764 56.287 0.038 0.000 1.008 141 K CB 1.174 33.694 32.500 0.032 0.000 0.917 141 K HN 0.794 nan 8.250 nan 0.000 0.478 142 A N 4.182 127.028 122.820 0.043 0.000 1.892 142 A HA -0.237 4.111 4.320 0.047 0.000 0.218 142 A C 2.064 179.686 177.584 0.064 0.000 1.188 142 A CA 1.857 53.922 52.037 0.047 0.000 0.631 142 A CB -0.444 18.580 19.000 0.041 0.000 0.822 142 A HN 0.945 nan 8.150 nan 0.000 0.447 143 R N -0.508 120.030 120.500 0.063 0.000 2.204 143 R HA -0.209 4.159 4.340 0.047 0.000 0.253 143 R C 0.492 176.880 176.300 0.146 0.000 1.172 143 R CA 1.968 58.118 56.100 0.084 0.000 0.994 143 R CB -0.325 29.999 30.300 0.040 0.000 0.874 143 R HN 0.474 nan 8.270 nan 0.000 0.462 144 D N -0.037 120.441 120.400 0.130 0.000 2.349 144 D HA 0.107 4.775 4.640 0.047 0.000 0.214 144 D C 0.351 176.730 176.300 0.132 0.000 1.063 144 D CA 0.081 54.185 54.000 0.173 0.000 0.847 144 D CB 0.219 41.098 40.800 0.131 0.000 0.933 144 D HN 0.268 nan 8.370 nan 0.000 0.513 145 I N 1.596 122.228 120.570 0.103 0.000 2.692 145 I HA -0.019 4.180 4.170 0.047 0.000 0.284 145 I C 0.462 176.638 176.117 0.098 0.000 1.159 145 I CA -0.206 61.143 61.300 0.082 0.000 1.423 145 I CB 1.050 39.082 38.000 0.053 0.000 1.380 145 I HN -0.240 nan 8.210 nan 0.000 0.580 146 V N 3.551 123.531 119.914 0.109 0.000 2.735 146 V HA 0.457 4.605 4.120 0.047 0.000 0.310 146 V C -2.655 173.524 176.094 0.142 0.000 1.061 146 V CA -2.850 59.551 62.300 0.168 0.000 0.913 146 V CB 1.352 33.329 31.823 0.256 0.000 1.005 146 V HN 0.479 nan 8.190 nan 0.000 0.428 147 P HA 0.240 nan 4.420 nan 0.000 0.243 147 P C 0.932 178.223 177.300 -0.014 0.000 1.134 147 P CA 1.856 64.938 63.100 -0.029 0.000 1.109 147 P CB -0.086 31.440 31.700 -0.289 0.000 1.140 148 G N 2.805 111.386 108.800 -0.365 0.000 3.876 148 G HA2 -0.125 3.864 3.960 0.047 0.000 0.203 148 G HA3 -0.125 3.864 3.960 0.047 0.000 0.203 148 G C -0.505 174.275 174.900 -0.200 0.000 1.162 148 G CA -0.365 44.402 45.100 -0.554 0.000 0.903 148 G HN 0.548 nan 8.290 nan 0.000 0.390 149 D N 2.563 122.962 120.400 -0.003 0.000 2.458 149 D HA 0.380 5.049 4.640 0.047 0.000 0.243 149 D C 0.718 176.978 176.300 -0.067 0.000 1.146 149 D CA -0.184 53.822 54.000 0.010 0.000 0.877 149 D CB 0.736 41.568 40.800 0.054 0.000 1.176 149 D HN 0.920 nan 8.370 nan 0.000 0.461 150 I N 0.579 121.117 120.570 -0.054 0.000 2.575 150 I HA 0.394 4.593 4.170 0.047 0.000 0.285 150 I C -0.075 175.968 176.117 -0.124 0.000 1.085 150 I CA -0.760 60.478 61.300 -0.103 0.000 1.403 150 I CB 0.881 38.829 38.000 -0.086 0.000 1.409 150 I HN 0.361 nan 8.210 nan 0.000 0.557 151 V N 2.233 122.047 119.914 -0.166 0.000 3.113 151 V HA 0.712 4.860 4.120 0.047 0.000 0.316 151 V C -0.536 175.408 176.094 -0.249 0.000 1.125 151 V CA -0.779 61.418 62.300 -0.171 0.000 1.026 151 V CB 1.587 33.347 31.823 -0.105 0.000 1.080 151 V HN 0.990 nan 8.190 nan 0.000 0.444 152 E N 0.194 120.260 120.200 -0.224 0.000 2.266 152 E HA 0.733 5.111 4.350 0.047 0.000 0.268 152 E C -1.491 175.044 176.600 -0.107 0.000 0.879 152 E CA -0.743 55.527 56.400 -0.216 0.000 0.762 152 E CB 2.451 31.987 29.700 -0.273 0.000 1.199 152 E HN 1.072 nan 8.360 nan 0.000 0.422 153 V N -0.511 119.350 119.914 -0.090 0.000 3.078 153 V HA 1.049 5.197 4.120 0.047 0.000 0.311 153 V C -1.040 175.028 176.094 -0.043 0.000 1.138 153 V CA -0.511 61.755 62.300 -0.056 0.000 1.007 153 V CB 1.423 33.210 31.823 -0.060 0.000 1.045 153 V HN 0.834 nan 8.190 nan 0.000 0.432 154 A N 1.395 124.199 122.820 -0.026 0.000 2.597 154 A HA 0.783 5.132 4.320 0.047 0.000 0.292 154 A C -0.349 177.229 177.584 -0.010 0.000 1.057 154 A CA -0.202 51.824 52.037 -0.018 0.000 0.674 154 A CB 1.140 20.135 19.000 -0.009 0.000 1.278 154 A HN 2.570 nan 8.150 nan 0.000 0.416 155 V N 0.096 120.005 119.914 -0.008 0.000 2.964 155 V HA 0.263 4.411 4.120 0.047 0.000 0.286 155 V C 1.532 177.628 176.094 0.003 0.000 1.363 155 V CA 1.261 63.560 62.300 -0.002 0.000 1.411 155 V CB -0.780 31.043 31.823 -0.000 0.000 0.835 155 V HN 2.964 nan 8.190 nan 0.000 0.487 156 G N 2.475 111.279 108.800 0.006 0.000 2.396 156 G HA2 -0.256 3.732 3.960 0.047 0.000 0.242 156 G HA3 -0.256 3.732 3.960 0.047 0.000 0.242 156 G C 0.059 174.967 174.900 0.014 0.000 1.069 156 G CA 0.367 45.474 45.100 0.012 0.000 0.633 156 G HN 1.002 nan 8.290 nan 0.000 0.517 157 D N 1.177 121.582 120.400 0.009 0.000 2.423 157 D HA 0.362 5.031 4.640 0.047 0.000 0.238 157 D C 0.595 176.903 176.300 0.012 0.000 1.142 157 D CA 0.517 54.523 54.000 0.010 0.000 0.884 157 D CB 1.036 41.836 40.800 0.000 0.000 1.199 157 D HN 0.565 nan 8.370 nan 0.000 0.438 158 K N 1.686 122.099 120.400 0.021 0.000 2.293 158 K HA 0.252 4.600 4.320 0.047 0.000 0.267 158 K C -0.832 175.780 176.600 0.019 0.000 1.010 158 K CA -0.726 55.578 56.287 0.029 0.000 0.875 158 K CB 0.824 33.356 32.500 0.053 0.000 1.106 158 K HN 0.091 nan 8.250 nan 0.000 0.450 159 V N 7.837 127.755 119.914 0.007 0.000 2.555 159 V HA -0.053 4.095 4.120 0.047 0.000 0.299 159 V C -1.073 175.028 176.094 0.012 0.000 1.012 159 V CA -0.564 61.733 62.300 -0.005 0.000 1.180 159 V CB 0.571 32.384 31.823 -0.016 0.000 0.887 159 V HN 0.892 nan 8.190 nan 0.000 0.476 160 P HA 0.076 nan 4.420 nan 0.000 0.225 160 P C 0.258 177.569 177.300 0.018 0.000 1.156 160 P CA 1.353 64.463 63.100 0.017 0.000 0.787 160 P CB 0.630 32.336 31.700 0.010 0.000 0.802 161 A N -0.735 122.086 122.820 0.002 0.000 2.586 161 A HA 0.403 4.752 4.320 0.047 0.000 0.291 161 A C -1.588 175.986 177.584 -0.017 0.000 1.062 161 A CA -0.691 51.348 52.037 0.003 0.000 0.666 161 A CB 0.158 19.152 19.000 -0.010 0.000 1.281 161 A HN -0.203 nan 8.150 nan 0.000 0.421 162 D N 1.158 121.559 120.400 0.001 0.000 2.382 162 D HA 0.431 5.099 4.640 0.047 0.000 0.259 162 D C -0.308 175.937 176.300 -0.092 0.000 1.224 162 D CA 1.159 55.144 54.000 -0.025 0.000 0.894 162 D CB 0.209 41.041 40.800 0.052 0.000 1.127 162 D HN 0.409 nan 8.370 nan 0.000 0.487 163 I N 1.840 122.320 120.570 -0.150 0.000 2.646 163 I HA 0.277 4.475 4.170 0.047 0.000 0.299 163 I C 0.471 176.485 176.117 -0.171 0.000 1.036 163 I CA -1.040 60.167 61.300 -0.155 0.000 1.074 163 I CB 2.077 39.989 38.000 -0.145 0.000 1.258 163 I HN -0.091 nan 8.210 nan 0.000 0.430 164 R N 6.201 126.613 120.500 -0.147 0.000 2.233 164 R HA 0.457 4.826 4.340 0.047 0.000 0.334 164 R C -0.623 175.612 176.300 -0.109 0.000 1.037 164 R CA -0.817 55.211 56.100 -0.119 0.000 0.920 164 R CB 0.090 30.334 30.300 -0.093 0.000 1.137 164 R HN 0.602 nan 8.270 nan 0.000 0.492 165 I N 5.742 126.246 120.570 -0.110 0.000 2.989 165 I HA -0.286 3.913 4.170 0.047 0.000 0.311 165 I C 1.339 177.414 176.117 -0.070 0.000 1.221 165 I CA 0.552 61.796 61.300 -0.095 0.000 1.449 165 I CB 0.537 38.483 38.000 -0.089 0.000 1.325 165 I HN 0.544 nan 8.210 nan 0.000 0.557 166 L N 4.393 125.573 121.223 -0.071 0.000 2.488 166 L HA 0.150 4.518 4.340 0.047 0.000 0.186 166 L C 0.821 177.667 176.870 -0.040 0.000 1.124 166 L CA 0.610 55.419 54.840 -0.052 0.000 0.838 166 L CB 0.087 42.110 42.059 -0.060 0.000 1.107 166 L HN 0.644 nan 8.230 nan 0.000 0.494 167 S N -0.472 115.199 115.700 -0.049 0.000 2.538 167 S HA 0.574 5.072 4.470 0.047 0.000 0.288 167 S C -0.912 173.661 174.600 -0.046 0.000 1.108 167 S CA -0.627 57.551 58.200 -0.037 0.000 0.971 167 S CB 1.211 64.394 63.200 -0.028 0.000 1.041 167 S HN 0.099 nan 8.310 nan 0.000 0.483 168 I N 5.364 125.912 120.570 -0.037 0.000 2.307 168 I HA 0.354 4.553 4.170 0.047 0.000 0.289 168 I C 0.655 176.753 176.117 -0.031 0.000 1.021 168 I CA -0.750 60.524 61.300 -0.043 0.000 1.224 168 I CB 1.468 39.438 38.000 -0.049 0.000 1.376 168 I HN 0.572 nan 8.210 nan 0.000 0.470 169 K N 3.163 123.544 120.400 -0.031 0.000 2.137 169 K HA 0.036 4.385 4.320 0.047 0.000 0.202 169 K C 1.224 177.814 176.600 -0.017 0.000 1.052 169 K CA 0.569 56.845 56.287 -0.018 0.000 0.961 169 K CB -0.278 32.215 32.500 -0.012 0.000 0.741 169 K HN 0.702 nan 8.250 nan 0.000 0.452 170 S N 0.098 115.785 115.700 -0.022 0.000 2.625 170 S HA 0.062 4.561 4.470 0.047 0.000 0.258 170 S C 1.429 176.017 174.600 -0.021 0.000 1.256 170 S CA 0.079 58.268 58.200 -0.019 0.000 0.983 170 S CB 0.225 63.412 63.200 -0.022 0.000 1.032 170 S HN 0.173 nan 8.310 nan 0.000 0.572 171 T N 1.071 115.614 114.554 -0.018 0.000 2.698 171 T HA 0.131 4.510 4.350 0.047 0.000 0.260 171 T C 0.872 175.558 174.700 -0.023 0.000 1.044 171 T CA 1.452 63.541 62.100 -0.017 0.000 1.149 171 T CB -0.743 68.119 68.868 -0.010 0.000 0.864 171 T HN 1.055 nan 8.240 nan 0.000 0.419 172 T N -0.251 114.286 114.554 -0.028 0.000 3.105 172 T HA 0.580 4.959 4.350 0.047 0.000 0.321 172 T C -1.344 173.325 174.700 -0.053 0.000 1.135 172 T CA -1.029 61.044 62.100 -0.045 0.000 1.053 172 T CB 1.558 70.413 68.868 -0.022 0.000 1.133 172 T HN 0.064 nan 8.240 nan 0.000 0.463 173 L N 2.546 123.718 121.223 -0.086 0.000 2.312 173 L HA 0.743 5.112 4.340 0.047 0.000 0.281 173 L C -0.128 176.702 176.870 -0.067 0.000 1.070 173 L CA -0.258 54.537 54.840 -0.075 0.000 0.805 173 L CB 0.777 42.782 42.059 -0.090 0.000 1.174 173 L HN 0.813 nan 8.230 nan 0.000 0.434 174 R N 4.396 124.872 120.500 -0.039 0.000 2.521 174 R HA 0.517 4.886 4.340 0.047 0.000 0.295 174 R C -1.019 175.273 176.300 -0.013 0.000 1.183 174 R CA -0.611 55.477 56.100 -0.019 0.000 0.957 174 R CB 1.612 31.911 30.300 -0.003 0.000 1.171 174 R HN 0.620 nan 8.270 nan 0.000 0.494 175 V N -1.266 118.641 119.914 -0.011 0.000 2.997 175 V HA 0.515 4.664 4.120 0.047 0.000 0.311 175 V C -0.183 175.917 176.094 0.010 0.000 1.066 175 V CA -0.536 61.761 62.300 -0.005 0.000 1.039 175 V CB 1.832 33.648 31.823 -0.011 0.000 1.081 175 V HN 0.604 nan 8.190 nan 0.000 0.467 176 D N 1.039 121.443 120.400 0.007 0.000 2.477 176 D HA 0.321 4.990 4.640 0.047 0.000 0.239 176 D C 0.327 176.625 176.300 -0.003 0.000 1.102 176 D CA -0.133 53.870 54.000 0.004 0.000 0.901 176 D CB 0.987 41.785 40.800 -0.002 0.000 1.026 176 D HN 0.670 nan 8.370 nan 0.000 0.515 177 Q N 1.345 121.154 119.800 0.014 0.000 2.239 177 Q HA 0.104 4.473 4.340 0.047 0.000 0.219 177 Q C 1.376 177.350 176.000 -0.042 0.000 0.901 177 Q CA -0.142 55.666 55.803 0.009 0.000 0.949 177 Q CB 0.408 29.189 28.738 0.072 0.000 1.038 177 Q HN 0.357 nan 8.270 nan 0.000 0.458 178 S N 1.301 116.968 115.700 -0.055 0.000 2.380 178 S HA -0.238 4.261 4.470 0.047 0.000 0.229 178 S C 1.943 176.471 174.600 -0.119 0.000 1.043 178 S CA 1.675 59.834 58.200 -0.069 0.000 1.038 178 S CB -0.469 62.696 63.200 -0.058 0.000 0.872 178 S HN 0.706 nan 8.310 nan 0.000 0.456 179 I N -0.575 119.868 120.570 -0.210 0.000 2.502 179 I HA -0.183 4.015 4.170 0.047 0.000 0.258 179 I C 1.766 177.773 176.117 -0.183 0.000 1.172 179 I CA 1.400 62.511 61.300 -0.314 0.000 1.430 179 I CB -0.482 37.217 38.000 -0.503 0.000 1.086 179 I HN 0.200 nan 8.210 nan 0.000 0.440 180 L N 0.710 121.850 121.223 -0.138 0.000 2.208 180 L HA 0.004 4.373 4.340 0.047 0.000 0.196 180 L C 2.911 179.725 176.870 -0.094 0.000 1.130 180 L CA 1.433 56.198 54.840 -0.124 0.000 0.791 180 L CB -1.094 40.876 42.059 -0.149 0.000 0.969 180 L HN 0.393 nan 8.230 nan 0.000 0.468 181 T N -2.581 111.930 114.554 -0.072 0.000 2.671 181 T HA 0.134 4.512 4.350 0.047 0.000 0.250 181 T C 1.445 176.121 174.700 -0.039 0.000 1.068 181 T CA 1.212 63.283 62.100 -0.049 0.000 1.177 181 T CB -0.131 68.719 68.868 -0.029 0.000 0.876 181 T HN 0.508 nan 8.240 nan 0.000 0.405 182 G N 0.628 109.409 108.800 -0.033 0.000 2.813 182 G HA2 -0.105 3.883 3.960 0.047 0.000 0.194 182 G HA3 -0.105 3.883 3.960 0.047 0.000 0.194 182 G C -0.162 174.730 174.900 -0.013 0.000 1.010 182 G CA -0.183 44.903 45.100 -0.023 0.000 0.771 182 G HN 0.623 nan 8.290 nan 0.000 0.485 183 E N 2.536 122.730 120.200 -0.009 0.000 2.159 183 E HA 0.352 4.730 4.350 0.047 0.000 0.272 183 E C 0.802 177.402 176.600 -0.001 0.000 1.138 183 E CA 0.397 56.796 56.400 -0.002 0.000 0.915 183 E CB 0.622 30.324 29.700 0.004 0.000 1.028 183 E HN 0.457 nan 8.360 nan 0.000 0.423 184 S N 1.711 117.410 115.700 -0.002 0.000 3.797 184 S HA 0.058 4.557 4.470 0.047 0.000 0.187 184 S C 0.170 174.773 174.600 0.005 0.000 1.165 184 S CA -0.523 57.677 58.200 -0.000 0.000 1.013 184 S CB -0.530 62.669 63.200 -0.002 0.000 1.456 184 S HN 0.180 nan 8.310 nan 0.000 0.442 185 V N 2.598 122.519 119.914 0.011 0.000 2.325 185 V HA 0.364 4.512 4.120 0.047 0.000 0.280 185 V C 0.592 176.703 176.094 0.028 0.000 1.016 185 V CA -0.737 61.575 62.300 0.020 0.000 0.818 185 V CB 0.930 32.767 31.823 0.024 0.000 1.019 185 V HN 0.796 nan 8.190 nan 0.000 0.434 186 S N 4.737 120.452 115.700 0.025 0.000 2.561 186 S HA 0.273 4.771 4.470 0.047 0.000 0.294 186 S C -0.062 174.562 174.600 0.041 0.000 1.294 186 S CA -0.252 57.964 58.200 0.027 0.000 1.055 186 S CB 0.934 64.146 63.200 0.020 0.000 0.819 186 S HN 1.217 nan 8.310 nan 0.000 0.503 187 V N 0.855 120.795 119.914 0.043 0.000 2.581 187 V HA 0.690 4.838 4.120 0.047 0.000 0.303 187 V C -0.193 175.924 176.094 0.038 0.000 1.041 187 V CA -1.352 60.984 62.300 0.060 0.000 0.907 187 V CB 0.841 32.708 31.823 0.074 0.000 0.994 187 V HN 0.787 nan 8.190 nan 0.000 0.442 188 I N 4.049 124.650 120.570 0.052 0.000 2.638 188 I HA 0.491 4.689 4.170 0.047 0.000 0.286 188 I C 0.604 176.691 176.117 -0.051 0.000 1.088 188 I CA 0.293 61.590 61.300 -0.006 0.000 1.397 188 I CB 0.618 38.645 38.000 0.046 0.000 1.414 188 I HN 0.659 nan 8.210 nan 0.000 0.566 189 K N 4.503 124.787 120.400 -0.195 0.000 2.346 189 K HA 0.646 4.995 4.320 0.047 0.000 0.238 189 K C -0.629 175.694 176.600 -0.462 0.000 1.039 189 K CA -0.769 55.407 56.287 -0.185 0.000 0.861 189 K CB 1.818 34.243 32.500 -0.125 0.000 1.278 189 K HN 0.580 nan 8.250 nan 0.000 0.460 190 H N -1.225 117.828 119.070 -0.027 0.000 2.918 190 H HA 0.231 4.815 4.556 0.047 0.000 0.303 190 H C -0.024 175.278 175.328 -0.043 0.000 1.380 190 H CA -0.436 55.593 56.048 -0.031 0.000 1.134 190 H CB 1.814 31.549 29.762 -0.044 0.000 1.842 190 H HN 0.420 nan 8.280 nan 0.000 0.533 191 T N -0.248 114.370 114.554 0.107 0.000 3.023 191 T HA -0.003 4.376 4.350 0.047 0.000 0.249 191 T C 0.560 175.272 174.700 0.019 0.000 1.050 191 T CA 0.091 62.211 62.100 0.034 0.000 1.088 191 T CB 0.244 69.123 68.868 0.018 0.000 0.946 191 T HN 0.382 nan 8.240 nan 0.000 0.480 192 E N 2.923 123.130 120.200 0.012 0.000 2.708 192 E HA -0.047 4.331 4.350 0.047 0.000 0.260 192 E C -2.540 174.050 176.600 -0.017 0.000 0.937 192 E CA -1.024 55.359 56.400 -0.028 0.000 0.953 192 E CB 0.486 30.133 29.700 -0.089 0.000 0.915 192 E HN 0.133 nan 8.360 nan 0.000 0.487 193 P HA -0.008 nan 4.420 nan 0.000 0.271 193 P C -0.911 176.396 177.300 0.011 0.000 1.226 193 P CA -0.088 63.017 63.100 0.008 0.000 0.765 193 P CB 0.732 32.435 31.700 0.005 0.000 0.835 194 V N 7.733 127.676 119.914 0.047 0.000 2.397 194 V HA 0.038 4.187 4.120 0.047 0.000 0.262 194 V C -1.054 175.094 176.094 0.089 0.000 1.047 194 V CA -0.849 61.467 62.300 0.026 0.000 1.003 194 V CB 0.431 32.232 31.823 -0.036 0.000 1.037 194 V HN 0.548 nan 8.190 nan 0.000 0.480 195 P HA -0.143 nan 4.420 nan 0.000 0.214 195 P C 0.666 178.006 177.300 0.067 0.000 1.163 195 P CA 0.764 63.887 63.100 0.039 0.000 0.883 195 P CB 0.010 31.713 31.700 0.004 0.000 0.788 196 D N 0.979 121.405 120.400 0.044 0.000 2.660 196 D HA -0.081 4.588 4.640 0.047 0.000 0.253 196 D C -0.985 175.399 176.300 0.141 0.000 1.256 196 D CA -0.799 53.230 54.000 0.048 0.000 0.914 196 D CB 0.453 41.255 40.800 0.002 0.000 1.137 196 D HN 0.135 nan 8.370 nan 0.000 0.542 197 P HA -0.175 nan 4.420 nan 0.000 0.217 197 P C 0.480 177.886 177.300 0.177 0.000 1.148 197 P CA 1.104 64.281 63.100 0.127 0.000 0.828 197 P CB 0.010 31.733 31.700 0.038 0.000 0.783 198 R N -0.874 119.689 120.500 0.106 0.000 3.220 198 R HA 0.687 5.055 4.340 0.047 0.000 0.324 198 R C 0.110 176.424 176.300 0.023 0.000 1.283 198 R CA -0.530 55.612 56.100 0.071 0.000 1.387 198 R CB 0.247 30.568 30.300 0.035 0.000 1.413 198 R HN -0.106 nan 8.270 nan 0.000 0.610 199 A N 1.102 123.911 122.820 -0.018 0.000 2.257 199 A HA 0.637 4.985 4.320 0.047 0.000 0.290 199 A C 0.418 177.935 177.584 -0.112 0.000 1.201 199 A CA -0.486 51.481 52.037 -0.116 0.000 0.863 199 A CB 0.660 19.505 19.000 -0.258 0.000 1.256 199 A HN 0.352 nan 8.150 nan 0.000 0.506 200 V N -1.941 117.906 119.914 -0.113 0.000 3.096 200 V HA 0.398 4.546 4.120 0.047 0.000 0.319 200 V C 0.790 176.841 176.094 -0.073 0.000 1.103 200 V CA -0.903 61.346 62.300 -0.085 0.000 1.016 200 V CB 1.164 32.945 31.823 -0.071 0.000 1.090 200 V HN 0.844 nan 8.190 nan 0.000 0.449 201 N N 0.812 119.471 118.700 -0.068 0.000 2.013 201 N HA -0.233 4.535 4.740 0.047 0.000 0.195 201 N C 1.668 177.220 175.510 0.070 0.000 1.051 201 N CA 2.112 55.166 53.050 0.007 0.000 0.851 201 N CB -0.575 37.691 38.487 -0.368 0.000 1.044 201 N HN 0.932 nan 8.380 nan 0.000 0.422 202 Q N 0.556 120.357 119.800 0.001 0.000 2.315 202 Q HA -0.217 4.151 4.340 0.047 0.000 0.213 202 Q C 0.346 176.369 176.000 0.038 0.000 0.994 202 Q CA 1.718 57.542 55.803 0.035 0.000 0.906 202 Q CB 0.002 28.747 28.738 0.013 0.000 0.918 202 Q HN 0.283 nan 8.270 nan 0.000 0.427 203 D N -0.217 120.182 120.400 -0.001 0.000 2.346 203 D HA 0.026 4.695 4.640 0.047 0.000 0.206 203 D C -0.138 176.132 176.300 -0.051 0.000 1.001 203 D CA 0.444 54.423 54.000 -0.034 0.000 0.871 203 D CB 0.229 40.987 40.800 -0.070 0.000 0.943 203 D HN 0.165 nan 8.370 nan 0.000 0.518 204 K N 1.553 121.934 120.400 -0.031 0.000 2.083 204 K HA 0.097 4.445 4.320 0.047 0.000 0.246 204 K C 1.136 177.739 176.600 0.004 0.000 1.160 204 K CA 0.018 56.278 56.287 -0.046 0.000 1.060 204 K CB 0.524 33.036 32.500 0.021 0.000 1.417 204 K HN -0.051 nan 8.250 nan 0.000 0.329 205 K N 0.989 121.391 120.400 0.004 0.000 2.281 205 K HA -0.150 4.198 4.320 0.047 0.000 0.203 205 K C 0.477 177.087 176.600 0.016 0.000 1.046 205 K CA 1.188 57.500 56.287 0.041 0.000 0.938 205 K CB -0.103 32.448 32.500 0.085 0.000 0.737 205 K HN 0.490 nan 8.250 nan 0.000 0.458 206 N N 0.625 119.322 118.700 -0.006 0.000 3.170 206 N HA 0.119 4.888 4.740 0.047 0.000 0.305 206 N C -0.741 174.711 175.510 -0.096 0.000 1.499 206 N CA -0.065 52.966 53.050 -0.032 0.000 1.110 206 N CB 0.416 38.903 38.487 -0.001 0.000 1.390 206 N HN -0.143 nan 8.380 nan 0.000 0.508 207 M N 0.640 120.120 119.600 -0.200 0.000 2.471 207 M HA 0.322 4.830 4.480 0.047 0.000 0.284 207 M C -1.693 174.266 176.300 -0.569 0.000 1.203 207 M CA -0.321 54.757 55.300 -0.370 0.000 0.915 207 M CB 2.234 34.563 32.600 -0.451 0.000 1.734 207 M HN 0.103 nan 8.290 nan 0.000 0.485 208 L N 2.290 123.206 121.223 -0.511 0.000 2.313 208 L HA 0.599 4.967 4.340 0.047 0.000 0.283 208 L C -1.053 175.529 176.870 -0.480 0.000 1.013 208 L CA -0.489 54.096 54.840 -0.426 0.000 0.816 208 L CB 1.196 43.128 42.059 -0.212 0.000 1.236 208 L HN 0.520 nan 8.230 nan 0.000 0.419 209 F N 0.779 120.710 119.950 -0.032 0.000 2.394 209 F HA 0.183 4.738 4.527 0.047 0.000 0.340 209 F C 1.162 176.943 175.800 -0.032 0.000 1.105 209 F CA -0.374 57.606 58.000 -0.032 0.000 1.124 209 F CB 1.637 40.616 39.000 -0.035 0.000 1.145 209 F HN 0.445 nan 8.300 nan 0.000 0.505 210 S N 2.534 118.329 115.700 0.157 0.000 2.555 210 S HA 0.363 4.861 4.470 0.047 0.000 0.293 210 S C 0.933 175.581 174.600 0.080 0.000 1.248 210 S CA 0.714 58.966 58.200 0.086 0.000 1.096 210 S CB -0.361 62.882 63.200 0.072 0.000 0.881 210 S HN 1.138 nan 8.310 nan 0.000 0.498 211 G N 3.567 112.402 108.800 0.058 0.000 2.316 211 G HA2 -0.179 3.809 3.960 0.047 0.000 0.203 211 G HA3 -0.179 3.809 3.960 0.047 0.000 0.203 211 G C 0.222 175.114 174.900 -0.014 0.000 0.999 211 G CA 0.007 45.129 45.100 0.036 0.000 0.649 211 G HN 0.881 nan 8.290 nan 0.000 0.489 212 T N 2.954 117.518 114.554 0.016 0.000 2.913 212 T HA 0.537 4.916 4.350 0.047 0.000 0.287 212 T C 0.060 174.763 174.700 0.005 0.000 1.008 212 T CA 0.084 62.186 62.100 0.003 0.000 1.067 212 T CB 1.045 69.948 68.868 0.059 0.000 0.996 212 T HN 0.617 nan 8.240 nan 0.000 0.513 213 N N 2.254 120.953 118.700 -0.001 0.000 2.269 213 N HA 0.338 5.106 4.740 0.047 0.000 0.304 213 N C -0.561 174.948 175.510 -0.001 0.000 1.072 213 N CA -0.796 52.258 53.050 0.007 0.000 0.802 213 N CB 1.474 39.973 38.487 0.021 0.000 1.348 213 N HN 0.306 nan 8.380 nan 0.000 0.484 214 I N 0.467 121.033 120.570 -0.006 0.000 3.112 214 I HA 0.022 4.221 4.170 0.047 0.000 0.284 214 I C 1.181 177.296 176.117 -0.004 0.000 1.227 214 I CA 0.118 61.411 61.300 -0.012 0.000 1.369 214 I CB 0.695 38.684 38.000 -0.018 0.000 1.376 214 I HN 0.889 nan 8.210 nan 0.000 0.608 215 A N 2.853 125.670 122.820 -0.006 0.000 2.704 215 A HA 0.693 5.042 4.320 0.047 0.000 0.260 215 A C 0.189 177.772 177.584 -0.002 0.000 1.144 215 A CA 0.403 52.440 52.037 0.000 0.000 0.985 215 A CB 0.305 19.307 19.000 0.004 0.000 1.256 215 A HN 0.935 nan 8.150 nan 0.000 0.598 216 A N -1.108 121.708 122.820 -0.008 0.000 2.560 216 A HA 0.644 4.993 4.320 0.047 0.000 0.300 216 A C 0.608 178.182 177.584 -0.017 0.000 1.062 216 A CA 0.332 52.364 52.037 -0.009 0.000 0.767 216 A CB -0.274 18.722 19.000 -0.007 0.000 1.288 216 A HN 2.156 nan 8.150 nan 0.000 0.396 217 G N 1.331 110.123 108.800 -0.013 0.000 2.601 217 G HA2 0.203 4.191 3.960 0.047 0.000 0.261 217 G HA3 0.203 4.191 3.960 0.047 0.000 0.261 217 G C -0.122 174.765 174.900 -0.021 0.000 1.289 217 G CA 0.959 46.048 45.100 -0.017 0.000 0.920 217 G HN 2.404 nan 8.290 nan 0.000 0.571 218 K N -1.556 118.828 120.400 -0.027 0.000 2.561 218 K HA 0.789 5.137 4.320 0.047 0.000 0.254 218 K C -0.522 176.052 176.600 -0.044 0.000 0.942 218 K CA -0.204 56.063 56.287 -0.033 0.000 0.818 218 K CB 1.530 34.017 32.500 -0.021 0.000 1.306 218 K HN 2.091 nan 8.250 nan 0.000 0.435 219 A N 2.620 125.403 122.820 -0.060 0.000 2.486 219 A HA 0.885 5.234 4.320 0.047 0.000 0.289 219 A C -1.855 175.669 177.584 -0.100 0.000 1.176 219 A CA -0.961 51.032 52.037 -0.073 0.000 0.757 219 A CB 1.689 20.644 19.000 -0.075 0.000 1.337 219 A HN 0.725 nan 8.150 nan 0.000 0.423 220 L N -0.607 120.549 121.223 -0.112 0.000 2.401 220 L HA 0.856 5.224 4.340 0.047 0.000 0.266 220 L C 0.073 176.863 176.870 -0.133 0.000 0.991 220 L CA 0.395 55.141 54.840 -0.157 0.000 0.818 220 L CB 2.220 44.156 42.059 -0.205 0.000 1.321 220 L HN 1.224 nan 8.230 nan 0.000 0.413 221 G N 3.178 111.890 108.800 -0.147 0.000 2.749 221 G HA2 0.458 4.446 3.960 0.047 0.000 0.300 221 G HA3 0.458 4.446 3.960 0.047 0.000 0.300 221 G C -2.019 172.796 174.900 -0.142 0.000 1.352 221 G CA -0.592 44.432 45.100 -0.126 0.000 0.789 221 G HN 0.774 nan 8.290 nan 0.000 0.509 222 I N 0.427 120.911 120.570 -0.144 0.000 2.441 222 I HA 0.600 4.798 4.170 0.047 0.000 0.295 222 I C -0.319 175.658 176.117 -0.232 0.000 0.994 222 I CA -0.953 60.233 61.300 -0.190 0.000 1.144 222 I CB 1.810 39.690 38.000 -0.200 0.000 1.314 222 I HN 0.254 nan 8.210 nan 0.000 0.445 223 V N 8.448 128.208 119.914 -0.256 0.000 2.493 223 V HA 0.020 4.168 4.120 0.047 0.000 0.292 223 V C 1.270 177.173 176.094 -0.318 0.000 1.016 223 V CA 0.966 63.123 62.300 -0.238 0.000 1.097 223 V CB 0.522 32.237 31.823 -0.181 0.000 0.947 223 V HN 1.002 nan 8.190 nan 0.000 0.479 224 A N 5.029 127.731 122.820 -0.198 0.000 1.878 224 A HA 0.230 4.578 4.320 0.047 0.000 0.213 224 A C 1.064 178.587 177.584 -0.101 0.000 1.192 224 A CA 1.355 53.312 52.037 -0.133 0.000 0.619 224 A CB 0.033 18.976 19.000 -0.095 0.000 0.837 224 A HN 0.891 nan 8.150 nan 0.000 0.446 225 T N -4.357 110.137 114.554 -0.100 0.000 2.762 225 T HA 0.591 4.969 4.350 0.047 0.000 0.301 225 T C -0.498 174.165 174.700 -0.062 0.000 1.299 225 T CA 0.036 62.075 62.100 -0.103 0.000 1.005 225 T CB 1.438 70.259 68.868 -0.077 0.000 1.377 225 T HN 0.862 nan 8.240 nan 0.000 0.504 226 T N -2.841 111.684 114.554 -0.048 0.000 2.681 226 T HA 0.795 5.173 4.350 0.047 0.000 0.296 226 T C 0.833 175.545 174.700 0.020 0.000 1.157 226 T CA 0.040 62.141 62.100 0.001 0.000 1.025 226 T CB 0.929 69.809 68.868 0.020 0.000 1.441 226 T HN 2.357 nan 8.240 nan 0.000 0.504 227 G N -0.150 108.677 108.800 0.045 0.000 2.622 227 G HA2 -0.219 3.770 3.960 0.047 0.000 0.272 227 G HA3 -0.219 3.770 3.960 0.047 0.000 0.272 227 G C 1.074 175.997 174.900 0.040 0.000 1.308 227 G CA 1.552 46.684 45.100 0.054 0.000 0.919 227 G HN 2.036 nan 8.290 nan 0.000 0.565 228 V N -2.482 117.456 119.914 0.040 0.000 2.439 228 V HA -0.113 4.036 4.120 0.047 0.000 0.253 228 V C 2.273 178.379 176.094 0.020 0.000 1.074 228 V CA 2.818 65.135 62.300 0.029 0.000 1.076 228 V CB -0.980 30.860 31.823 0.029 0.000 0.664 228 V HN 1.023 nan 8.190 nan 0.000 0.461 229 S N 1.423 117.133 115.700 0.016 0.000 3.188 229 S HA 0.194 4.692 4.470 0.047 0.000 0.257 229 S C 0.646 175.251 174.600 0.008 0.000 1.163 229 S CA 0.743 58.944 58.200 0.002 0.000 1.259 229 S CB -1.256 61.932 63.200 -0.021 0.000 0.995 229 S HN 1.006 nan 8.310 nan 0.000 0.474 230 T N -2.588 111.979 114.554 0.021 0.000 2.916 230 T HA 0.391 4.770 4.350 0.047 0.000 0.305 230 T C 0.584 175.302 174.700 0.030 0.000 1.119 230 T CA -0.910 61.216 62.100 0.043 0.000 1.008 230 T CB 1.352 70.252 68.868 0.055 0.000 1.129 230 T HN -0.128 nan 8.240 nan 0.000 0.480 231 E N 0.884 121.108 120.200 0.040 0.000 2.236 231 E HA -0.168 4.210 4.350 0.047 0.000 0.205 231 E C 1.579 178.139 176.600 -0.067 0.000 1.028 231 E CA 1.479 57.843 56.400 -0.061 0.000 0.827 231 E CB -0.402 29.165 29.700 -0.221 0.000 0.735 231 E HN 0.741 nan 8.360 nan 0.000 0.470 232 I N -0.688 119.872 120.570 -0.017 0.000 2.628 232 I HA 0.029 4.227 4.170 0.047 0.000 0.255 232 I C 2.501 178.618 176.117 0.001 0.000 1.119 232 I CA 1.134 62.425 61.300 -0.014 0.000 1.448 232 I CB -1.057 36.952 38.000 0.014 0.000 1.133 232 I HN 0.003 nan 8.210 nan 0.000 0.438 233 G N 1.323 110.131 108.800 0.015 0.000 2.422 233 G HA2 -0.207 3.782 3.960 0.047 0.000 0.218 233 G HA3 -0.207 3.782 3.960 0.047 0.000 0.218 233 G C 1.727 176.631 174.900 0.007 0.000 1.146 233 G CA 0.708 45.818 45.100 0.018 0.000 0.769 233 G HN 0.333 nan 8.290 nan 0.000 0.547 234 K N 0.036 120.434 120.400 -0.003 0.000 2.025 234 K HA 0.070 4.418 4.320 0.047 0.000 0.207 234 K C 2.414 179.003 176.600 -0.019 0.000 1.049 234 K CA 0.948 57.228 56.287 -0.011 0.000 0.933 234 K CB -0.287 32.202 32.500 -0.018 0.000 0.714 234 K HN 0.307 nan 8.250 nan 0.000 0.438 235 I N 1.358 121.910 120.570 -0.030 0.000 2.423 235 I HA -0.292 3.906 4.170 0.047 0.000 0.254 235 I C 2.733 178.839 176.117 -0.018 0.000 1.151 235 I CA 0.901 62.181 61.300 -0.034 0.000 1.421 235 I CB -0.355 37.617 38.000 -0.046 0.000 1.079 235 I HN 0.215 nan 8.210 nan 0.000 0.431 236 R N 1.496 121.992 120.500 -0.008 0.000 2.070 236 R HA -0.193 4.176 4.340 0.047 0.000 0.232 236 R C 1.717 178.018 176.300 0.000 0.000 1.138 236 R CA 2.179 58.280 56.100 0.002 0.000 0.936 236 R CB -0.629 29.678 30.300 0.012 0.000 0.839 236 R HN 0.252 nan 8.270 nan 0.000 0.429 237 D N 0.964 121.365 120.400 0.002 0.000 2.116 237 D HA -0.191 4.478 4.640 0.047 0.000 0.193 237 D C 2.115 178.413 176.300 -0.004 0.000 0.998 237 D CA 1.266 55.267 54.000 0.002 0.000 0.836 237 D CB -0.283 40.519 40.800 0.004 0.000 0.951 237 D HN 0.387 nan 8.370 nan 0.000 0.449 238 Q N -0.394 119.399 119.800 -0.011 0.000 2.062 238 Q HA -0.194 4.174 4.340 0.047 0.000 0.209 238 Q C 2.400 178.391 176.000 -0.015 0.000 0.996 238 Q CA 1.535 57.328 55.803 -0.017 0.000 0.859 238 Q CB -0.173 28.550 28.738 -0.026 0.000 0.920 238 Q HN 0.366 nan 8.270 nan 0.000 0.415 239 M N -0.282 119.309 119.600 -0.014 0.000 2.086 239 M HA -0.178 4.330 4.480 0.047 0.000 0.261 239 M C 2.408 178.704 176.300 -0.007 0.000 1.067 239 M CA 1.467 56.760 55.300 -0.012 0.000 1.116 239 M CB -0.438 32.157 32.600 -0.010 0.000 1.348 239 M HN 0.257 nan 8.290 nan 0.000 0.407 240 A N 0.686 123.504 122.820 -0.003 0.000 1.892 240 A HA -0.186 4.162 4.320 0.047 0.000 0.218 240 A C 2.390 179.974 177.584 -0.000 0.000 1.188 240 A CA 2.369 54.407 52.037 0.001 0.000 0.631 240 A CB -1.134 17.869 19.000 0.005 0.000 0.822 240 A HN 0.528 nan 8.150 nan 0.000 0.447 241 A N -0.269 122.550 122.820 -0.002 0.000 1.845 241 A HA 0.059 4.407 4.320 0.047 0.000 0.215 241 A C 1.778 179.359 177.584 -0.004 0.000 1.195 241 A CA 1.873 53.909 52.037 -0.002 0.000 0.616 241 A CB -1.890 17.108 19.000 -0.003 0.000 0.832 241 A HN 1.084 nan 8.150 nan 0.000 0.443 242 T N -0.212 114.337 114.554 -0.008 0.000 2.903 242 T HA 0.130 4.508 4.350 0.047 0.000 0.299 242 T C -0.179 174.517 174.700 -0.007 0.000 1.041 242 T CA 0.424 62.519 62.100 -0.009 0.000 1.138 242 T CB 0.273 69.133 68.868 -0.014 0.000 1.040 242 T HN 0.501 nan 8.240 nan 0.000 0.524 243 E N 2.153 122.350 120.200 -0.005 0.000 2.145 243 E HA 0.234 4.612 4.350 0.047 0.000 0.270 243 E C -0.440 176.157 176.600 -0.005 0.000 0.906 243 E CA -0.864 55.533 56.400 -0.004 0.000 0.761 243 E CB 1.065 30.764 29.700 -0.002 0.000 1.116 243 E HN 0.697 nan 8.360 nan 0.000 0.408 244 Q N 3.826 123.623 119.800 -0.006 0.000 2.286 244 Q HA 0.051 4.420 4.340 0.047 0.000 0.265 244 Q C -0.941 175.056 176.000 -0.006 0.000 1.080 244 Q CA 0.157 55.956 55.803 -0.008 0.000 0.906 244 Q CB 0.521 29.253 28.738 -0.009 0.000 1.227 244 Q HN 0.416 nan 8.270 nan 0.000 0.409 245 D N 3.744 124.141 120.400 -0.006 0.000 2.372 245 D HA 0.051 4.719 4.640 0.047 0.000 0.243 245 D C -0.280 176.016 176.300 -0.006 0.000 1.121 245 D CA -0.019 53.979 54.000 -0.004 0.000 0.898 245 D CB 0.772 41.570 40.800 -0.003 0.000 1.202 245 D HN 0.480 nan 8.370 nan 0.000 0.428 246 K N 0.747 121.145 120.400 -0.004 0.000 2.448 246 K HA 0.050 4.398 4.320 0.047 0.000 0.278 246 K C 0.889 177.484 176.600 -0.007 0.000 1.009 246 K CA -0.096 56.188 56.287 -0.004 0.000 0.995 246 K CB 0.249 32.749 32.500 -0.000 0.000 0.917 246 K HN 0.431 nan 8.250 nan 0.000 0.481 247 T N 0.986 115.535 114.554 -0.009 0.000 2.788 247 T HA -0.010 4.368 4.350 0.047 0.000 0.333 247 T C -1.445 173.244 174.700 -0.018 0.000 1.090 247 T CA -1.183 60.907 62.100 -0.017 0.000 1.094 247 T CB 0.367 69.225 68.868 -0.015 0.000 0.999 247 T HN 0.330 nan 8.240 nan 0.000 0.549 248 P HA -0.055 nan 4.420 nan 0.000 0.212 248 P C 1.869 179.158 177.300 -0.017 0.000 1.180 248 P CA 0.602 63.678 63.100 -0.041 0.000 0.906 248 P CB -0.204 31.441 31.700 -0.092 0.000 0.782 249 L N -0.141 121.074 121.223 -0.013 0.000 2.131 249 L HA -0.153 4.216 4.340 0.047 0.000 0.210 249 L C 2.605 179.493 176.870 0.030 0.000 1.092 249 L CA 1.802 56.670 54.840 0.047 0.000 0.759 249 L CB -1.533 40.595 42.059 0.115 0.000 0.903 249 L HN -0.049 nan 8.230 nan 0.000 0.435 250 Q N -0.822 118.988 119.800 0.017 0.000 2.096 250 Q HA -0.304 4.064 4.340 0.047 0.000 0.204 250 Q C 2.301 178.313 176.000 0.019 0.000 0.982 250 Q CA 2.277 58.090 55.803 0.016 0.000 0.850 250 Q CB -0.189 28.554 28.738 0.009 0.000 0.901 250 Q HN 0.746 nan 8.270 nan 0.000 0.422 251 Q N -0.473 119.337 119.800 0.017 0.000 2.123 251 Q HA -0.127 4.241 4.340 0.047 0.000 0.199 251 Q C 1.905 177.927 176.000 0.037 0.000 0.966 251 Q CA 0.745 56.562 55.803 0.023 0.000 0.845 251 Q CB 0.215 28.962 28.738 0.015 0.000 0.907 251 Q HN 0.168 nan 8.270 nan 0.000 0.439 252 K N 0.526 120.946 120.400 0.033 0.000 2.059 252 K HA -0.172 4.176 4.320 0.047 0.000 0.212 252 K C 1.946 178.580 176.600 0.055 0.000 1.050 252 K CA 1.195 57.505 56.287 0.040 0.000 0.927 252 K CB -0.373 32.147 32.500 0.033 0.000 0.714 252 K HN 0.349 nan 8.250 nan 0.000 0.447 253 L N 0.703 121.950 121.223 0.040 0.000 2.492 253 L HA -0.079 4.289 4.340 0.047 0.000 0.223 253 L C 1.607 178.553 176.870 0.126 0.000 1.132 253 L CA 0.467 55.348 54.840 0.069 0.000 0.850 253 L CB -0.204 41.866 42.059 0.020 0.000 0.966 253 L HN 0.067 nan 8.230 nan 0.000 0.454 254 D N 0.111 120.561 120.400 0.084 0.000 2.183 254 D HA -0.149 4.520 4.640 0.047 0.000 0.205 254 D C 1.930 178.272 176.300 0.070 0.000 0.962 254 D CA 0.873 54.911 54.000 0.065 0.000 0.849 254 D CB 0.363 41.185 40.800 0.037 0.000 0.978 254 D HN 0.330 nan 8.370 nan 0.000 0.488 255 E N -0.468 119.783 120.200 0.085 0.000 2.152 255 E HA -0.127 4.252 4.350 0.047 0.000 0.192 255 E C 1.775 178.436 176.600 0.103 0.000 0.983 255 E CA 0.226 56.670 56.400 0.074 0.000 0.818 255 E CB 0.000 29.742 29.700 0.070 0.000 0.758 255 E HN 0.077 nan 8.360 nan 0.000 0.467 256 F N 0.723 120.666 119.950 -0.012 0.000 2.146 256 F HA -0.013 4.541 4.527 0.046 0.000 0.298 256 F C 1.971 177.763 175.800 -0.014 0.000 1.096 256 F CA 1.708 59.700 58.000 -0.015 0.000 1.275 256 F CB -0.724 38.264 39.000 -0.021 0.000 1.008 256 F HN 0.045 nan 8.300 nan 0.000 0.480 257 G N -0.058 108.773 108.800 0.051 0.000 2.529 257 G HA2 -0.316 3.672 3.960 0.047 0.000 0.219 257 G HA3 -0.316 3.672 3.960 0.047 0.000 0.219 257 G C 1.583 176.418 174.900 -0.108 0.000 1.177 257 G CA 1.132 46.212 45.100 -0.034 0.000 0.773 257 G HN 0.456 nan 8.290 nan 0.000 0.573 258 E N -0.037 120.121 120.200 -0.071 0.000 2.058 258 E HA -0.167 4.211 4.350 0.047 0.000 0.194 258 E C 2.799 179.327 176.600 -0.119 0.000 0.997 258 E CA 1.044 57.401 56.400 -0.072 0.000 0.801 258 E CB -0.112 29.564 29.700 -0.040 0.000 0.746 258 E HN 0.347 nan 8.360 nan 0.000 0.450 259 Q N 0.515 120.213 119.800 -0.170 0.000 2.014 259 Q HA -0.210 4.158 4.340 0.047 0.000 0.207 259 Q C 2.400 178.244 176.000 -0.260 0.000 0.993 259 Q CA 1.226 56.898 55.803 -0.218 0.000 0.850 259 Q CB -0.660 27.898 28.738 -0.299 0.000 0.916 259 Q HN 0.239 nan 8.270 nan 0.000 0.417 260 L N 0.483 121.468 121.223 -0.397 0.000 2.017 260 L HA -0.085 4.283 4.340 0.047 0.000 0.208 260 L C 2.192 178.962 176.870 -0.168 0.000 1.073 260 L CA 1.608 56.256 54.840 -0.321 0.000 0.745 260 L CB -0.656 41.172 42.059 -0.386 0.000 0.894 260 L HN 0.098 nan 8.230 nan 0.000 0.432 261 S N -1.760 113.856 115.700 -0.139 0.000 2.723 261 S HA -0.095 4.403 4.470 0.047 0.000 0.231 261 S C 1.698 176.259 174.600 -0.065 0.000 0.967 261 S CA 0.687 58.840 58.200 -0.080 0.000 0.958 261 S CB -0.297 62.868 63.200 -0.059 0.000 0.778 261 S HN 0.289 nan 8.310 nan 0.000 0.537 262 K N -0.302 120.051 120.400 -0.078 0.000 2.380 262 K HA 0.328 4.677 4.320 0.047 0.000 0.200 262 K C 1.508 178.081 176.600 -0.046 0.000 1.201 262 K CA 0.658 56.912 56.287 -0.055 0.000 0.916 262 K CB -0.360 32.104 32.500 -0.059 0.000 1.187 262 K HN 0.177 nan 8.250 nan 0.000 0.498 263 V N 1.508 121.385 119.914 -0.062 0.000 2.488 263 V HA -0.105 4.043 4.120 0.047 0.000 0.246 263 V C 2.182 178.254 176.094 -0.037 0.000 1.046 263 V CA 1.399 63.671 62.300 -0.047 0.000 1.053 263 V CB -0.344 31.443 31.823 -0.059 0.000 0.679 263 V HN 0.223 nan 8.190 nan 0.000 0.458 264 I N 1.383 121.926 120.570 -0.045 0.000 2.076 264 I HA -0.294 3.904 4.170 0.047 0.000 0.237 264 I C 2.793 178.900 176.117 -0.018 0.000 1.059 264 I CA 2.229 63.511 61.300 -0.030 0.000 1.317 264 I CB -0.559 37.420 38.000 -0.035 0.000 1.037 264 I HN 0.510 nan 8.210 nan 0.000 0.398 265 S N 1.232 116.919 115.700 -0.022 0.000 2.400 265 S HA -0.184 4.314 4.470 0.047 0.000 0.232 265 S C 2.072 176.673 174.600 0.002 0.000 1.025 265 S CA 0.818 59.008 58.200 -0.017 0.000 0.993 265 S CB -0.801 62.387 63.200 -0.020 0.000 0.808 265 S HN 0.432 nan 8.310 nan 0.000 0.478 266 L N 1.993 123.219 121.223 0.005 0.000 1.989 266 L HA -0.046 4.322 4.340 0.047 0.000 0.211 266 L C 2.318 179.217 176.870 0.049 0.000 1.071 266 L CA 2.031 56.885 54.840 0.024 0.000 0.749 266 L CB -1.150 40.915 42.059 0.010 0.000 0.890 266 L HN 0.381 nan 8.230 nan 0.000 0.431 267 I N -0.426 120.169 120.570 0.041 0.000 2.335 267 I HA -0.376 3.822 4.170 0.047 0.000 0.251 267 I C 2.793 178.969 176.117 0.098 0.000 1.129 267 I CA 1.216 62.564 61.300 0.080 0.000 1.402 267 I CB -0.442 37.596 38.000 0.064 0.000 1.069 267 I HN 0.401 nan 8.210 nan 0.000 0.424 268 C N 0.045 119.378 119.300 0.055 0.000 2.446 268 C HA -0.082 4.407 4.460 0.047 0.000 0.277 268 C C 2.563 177.614 174.990 0.101 0.000 1.275 268 C CA 0.467 59.506 59.018 0.035 0.000 1.727 268 C CB -0.584 27.131 27.740 -0.042 0.000 2.010 268 C HN 0.340 nan 8.230 nan 0.000 0.486 269 V N 0.666 120.647 119.914 0.111 0.000 3.573 269 V HA 0.122 4.270 4.120 0.047 0.000 0.270 269 V C 1.864 178.097 176.094 0.231 0.000 1.221 269 V CA 1.310 63.733 62.300 0.205 0.000 1.163 269 V CB -1.062 30.846 31.823 0.143 0.000 0.847 269 V HN 0.580 nan 8.190 nan 0.000 0.468 270 A N -0.203 122.729 122.820 0.187 0.000 1.938 270 A HA 0.105 4.454 4.320 0.047 0.000 0.207 270 A C 2.121 179.815 177.584 0.184 0.000 1.292 270 A CA 0.920 53.056 52.037 0.165 0.000 0.700 270 A CB -0.270 18.822 19.000 0.154 0.000 0.947 270 A HN 0.191 nan 8.150 nan 0.000 0.476 271 V N -1.141 118.897 119.914 0.206 0.000 2.287 271 V HA -0.269 3.879 4.120 0.047 0.000 0.248 271 V C 2.250 178.495 176.094 0.252 0.000 1.053 271 V CA 2.091 64.508 62.300 0.195 0.000 1.027 271 V CB -0.972 30.949 31.823 0.164 0.000 0.646 271 V HN 0.834 nan 8.190 nan 0.000 0.447 272 W N 0.663 122.038 121.300 0.125 0.000 2.308 272 W HA -0.227 4.461 4.660 0.046 0.000 0.301 272 W C 2.071 178.679 176.519 0.148 0.000 1.220 272 W CA 1.785 59.251 57.345 0.201 0.000 1.240 272 W CB -0.479 29.063 29.460 0.137 0.000 1.142 272 W HN 0.200 nan 8.180 nan 0.000 0.521 273 L N -0.055 121.139 121.223 -0.048 0.000 2.056 273 L HA -0.241 4.127 4.340 0.047 0.000 0.207 273 L C 2.360 179.146 176.870 -0.141 0.000 1.078 273 L CA 0.864 55.546 54.840 -0.263 0.000 0.749 273 L CB -0.999 40.980 42.059 -0.133 0.000 0.901 273 L HN -0.094 nan 8.230 nan 0.000 0.433 274 I N -0.226 120.336 120.570 -0.013 0.000 2.614 274 I HA -0.191 4.008 4.170 0.047 0.000 0.258 274 I C 0.785 176.923 176.117 0.035 0.000 1.189 274 I CA 0.985 62.288 61.300 0.006 0.000 1.462 274 I CB -1.196 36.820 38.000 0.026 0.000 1.092 274 I HN 0.300 nan 8.210 nan 0.000 0.442 275 N N 1.411 120.174 118.700 0.106 0.000 2.521 275 N HA 0.278 5.047 4.740 0.047 0.000 0.236 275 N C 0.696 176.323 175.510 0.195 0.000 1.067 275 N CA -0.083 53.111 53.050 0.241 0.000 0.939 275 N CB 1.072 39.840 38.487 0.468 0.000 1.201 275 N HN 0.179 nan 8.380 nan 0.000 0.511 276 I N 0.044 120.679 120.570 0.109 0.000 4.655 276 I HA 0.127 4.325 4.170 0.047 0.000 0.333 276 I C 2.041 178.246 176.117 0.147 0.000 1.312 276 I CA -0.027 61.322 61.300 0.082 0.000 1.270 276 I CB 0.661 38.631 38.000 -0.050 0.000 1.318 276 I HN 0.459 nan 8.210 nan 0.000 0.456 277 G N 1.019 109.851 108.800 0.054 0.000 2.443 277 G HA2 -0.163 3.826 3.960 0.047 0.000 0.219 277 G HA3 -0.163 3.826 3.960 0.047 0.000 0.219 277 G C 1.409 176.323 174.900 0.023 0.000 1.131 277 G CA 0.704 45.804 45.100 0.001 0.000 0.775 277 G HN 0.324 nan 8.290 nan 0.000 0.547 278 H N -0.879 118.350 119.070 0.265 0.000 2.384 278 H HA 0.086 4.670 4.556 0.047 0.000 0.300 278 H C 2.246 177.738 175.328 0.273 0.000 1.057 278 H CA 0.530 56.740 56.048 0.269 0.000 1.370 278 H CB -0.487 29.518 29.762 0.405 0.000 1.417 278 H HN 0.296 nan 8.280 nan 0.000 0.527 279 F N 2.515 122.633 119.950 0.279 0.000 2.043 279 F HA -0.282 4.273 4.527 0.047 0.000 0.297 279 F C 2.492 178.344 175.800 0.087 0.000 1.118 279 F CA 2.092 60.192 58.000 0.166 0.000 1.202 279 F CB -0.151 38.920 39.000 0.119 0.000 0.965 279 F HN 0.195 nan 8.300 nan 0.000 0.482 280 N N -0.525 118.320 118.700 0.241 0.000 2.402 280 N HA -0.128 4.640 4.740 0.047 0.000 0.174 280 N C 1.592 177.137 175.510 0.059 0.000 1.027 280 N CA 1.111 54.230 53.050 0.114 0.000 0.891 280 N CB -0.433 38.137 38.487 0.138 0.000 1.016 280 N HN 0.271 nan 8.380 nan 0.000 0.439 281 D N 1.333 121.775 120.400 0.071 0.000 2.088 281 D HA 0.016 4.684 4.640 0.047 0.000 0.196 281 D C -1.506 174.788 176.300 -0.011 0.000 0.983 281 D CA 0.531 54.542 54.000 0.018 0.000 0.846 281 D CB -1.424 39.368 40.800 -0.014 0.000 0.992 281 D HN 0.253 nan 8.370 nan 0.000 0.448 282 P HA 0.011 nan 4.420 nan 0.000 0.268 282 P C 0.446 177.744 177.300 -0.002 0.000 1.205 282 P CA 0.281 63.368 63.100 -0.021 0.000 0.771 282 P CB 1.232 32.939 31.700 0.012 0.000 0.858 283 V N -1.169 118.764 119.914 0.031 0.000 3.411 283 V HA 0.322 4.470 4.120 0.047 0.000 0.287 283 V C 0.139 176.339 176.094 0.176 0.000 1.543 283 V CA 0.228 62.575 62.300 0.078 0.000 1.028 283 V CB -0.742 31.141 31.823 0.101 0.000 0.840 283 V HN 0.828 nan 8.190 nan 0.000 0.435 284 H N -1.541 117.524 119.070 -0.007 0.000 3.020 284 H HA 0.552 5.137 4.556 0.048 0.000 0.303 284 H C -0.055 175.281 175.328 0.013 0.000 1.332 284 H CA -0.114 55.940 56.048 0.009 0.000 1.282 284 H CB 1.102 30.865 29.762 0.001 0.000 1.928 284 H HN 0.845 nan 8.280 nan 0.000 0.519 285 G N -0.322 108.466 108.800 -0.020 0.000 2.731 285 G HA2 0.274 4.262 3.960 0.047 0.000 0.219 285 G HA3 0.274 4.262 3.960 0.047 0.000 0.219 285 G C 1.077 175.986 174.900 0.014 0.000 0.989 285 G CA 0.746 45.807 45.100 -0.065 0.000 0.871 285 G HN 1.761 nan 8.290 nan 0.000 0.591 286 G N 0.217 109.057 108.800 0.066 0.000 2.205 286 G HA2 -0.269 3.720 3.960 0.047 0.000 0.269 286 G HA3 -0.269 3.720 3.960 0.047 0.000 0.269 286 G C 1.732 176.688 174.900 0.093 0.000 0.977 286 G CA 1.701 46.850 45.100 0.082 0.000 0.652 286 G HN 1.537 nan 8.290 nan 0.000 0.539 287 S N -0.605 115.144 115.700 0.080 0.000 2.427 287 S HA -0.346 4.153 4.470 0.047 0.000 0.261 287 S C 1.761 176.465 174.600 0.173 0.000 1.091 287 S CA 2.386 60.641 58.200 0.090 0.000 1.251 287 S CB -0.575 62.664 63.200 0.065 0.000 1.160 287 S HN 1.043 nan 8.310 nan 0.000 0.436 288 W N 2.008 123.313 121.300 0.009 0.000 2.289 288 W HA -0.237 4.451 4.660 0.047 0.000 0.331 288 W C 2.140 178.666 176.519 0.012 0.000 1.283 288 W CA 1.508 58.856 57.345 0.005 0.000 1.252 288 W CB -1.270 28.178 29.460 -0.019 0.000 1.153 288 W HN 0.298 nan 8.180 nan 0.000 0.467 289 I N 1.197 121.645 120.570 -0.203 0.000 2.179 289 I HA -0.242 3.956 4.170 0.047 0.000 0.242 289 I C 2.873 178.888 176.117 -0.169 0.000 1.088 289 I CA 2.383 63.424 61.300 -0.432 0.000 1.357 289 I CB -0.933 36.885 38.000 -0.304 0.000 1.051 289 I HN 0.141 nan 8.210 nan 0.000 0.409 290 R N -0.040 120.452 120.500 -0.013 0.000 2.073 290 R HA -0.062 4.306 4.340 0.047 0.000 0.229 290 R C 2.269 178.626 176.300 0.094 0.000 1.120 290 R CA 1.397 57.542 56.100 0.075 0.000 0.967 290 R CB -0.850 29.492 30.300 0.070 0.000 0.862 290 R HN 0.475 nan 8.270 nan 0.000 0.436 291 G N 0.377 109.238 108.800 0.102 0.000 2.414 291 G HA2 -0.253 3.736 3.960 0.047 0.000 0.215 291 G HA3 -0.253 3.736 3.960 0.047 0.000 0.215 291 G C 1.598 176.671 174.900 0.288 0.000 1.188 291 G CA 0.866 46.060 45.100 0.158 0.000 0.783 291 G HN 0.471 nan 8.290 nan 0.000 0.537 292 A N 1.012 123.995 122.820 0.271 0.000 1.927 292 A HA -0.118 4.231 4.320 0.047 0.000 0.220 292 A C 2.325 180.207 177.584 0.497 0.000 1.185 292 A CA 1.531 53.773 52.037 0.342 0.000 0.639 292 A CB -0.532 18.491 19.000 0.039 0.000 0.820 292 A HN 0.401 nan 8.150 nan 0.000 0.451 293 I N -1.042 119.663 120.570 0.225 0.000 2.761 293 I HA -0.291 3.908 4.170 0.047 0.000 0.266 293 I C 2.239 178.568 176.117 0.353 0.000 1.239 293 I CA 1.481 62.894 61.300 0.188 0.000 1.451 293 I CB -0.401 37.630 38.000 0.050 0.000 1.096 293 I HN 0.681 nan 8.210 nan 0.000 0.465 294 Y N 1.173 121.657 120.300 0.307 0.000 2.181 294 Y HA -0.317 4.260 4.550 0.046 0.000 0.288 294 Y C 2.185 178.218 175.900 0.221 0.000 1.146 294 Y CA 1.480 59.695 58.100 0.191 0.000 1.164 294 Y CB -0.751 37.739 38.460 0.051 0.000 0.982 294 Y HN 0.076 nan 8.280 nan 0.000 0.515 295 Y N -0.512 119.759 120.300 -0.047 0.000 2.081 295 Y HA -0.274 4.305 4.550 0.048 0.000 0.280 295 Y C 2.235 178.055 175.900 -0.134 0.000 1.163 295 Y CA 2.282 60.298 58.100 -0.139 0.000 1.135 295 Y CB -1.291 37.260 38.460 0.152 0.000 0.970 295 Y HN 0.151 nan 8.280 nan 0.000 0.498 296 F N 0.028 120.018 119.950 0.067 0.000 2.146 296 F HA -0.127 4.428 4.527 0.047 0.000 0.298 296 F C 2.344 178.132 175.800 -0.019 0.000 1.096 296 F CA 1.485 59.491 58.000 0.011 0.000 1.275 296 F CB -0.690 38.319 39.000 0.016 0.000 1.008 296 F HN -0.058 nan 8.300 nan 0.000 0.480 297 K N 0.787 121.290 120.400 0.172 0.000 2.360 297 K HA -0.122 4.226 4.320 0.047 0.000 0.201 297 K C 1.635 178.239 176.600 0.006 0.000 1.046 297 K CA 0.979 57.324 56.287 0.097 0.000 0.945 297 K CB -0.298 32.274 32.500 0.120 0.000 0.750 297 K HN 0.312 nan 8.250 nan 0.000 0.464 298 I N 0.206 120.710 120.570 -0.110 0.000 3.419 298 I HA -0.069 4.130 4.170 0.047 0.000 0.286 298 I C 2.058 178.145 176.117 -0.050 0.000 1.268 298 I CA 0.185 61.403 61.300 -0.136 0.000 1.414 298 I CB 0.038 37.851 38.000 -0.310 0.000 1.074 298 I HN 0.168 nan 8.210 nan 0.000 0.457 299 A N 1.264 124.066 122.820 -0.030 0.000 1.832 299 A HA -0.134 4.214 4.320 0.047 0.000 0.214 299 A C 2.425 180.019 177.584 0.018 0.000 1.204 299 A CA 1.693 53.721 52.037 -0.015 0.000 0.606 299 A CB -1.094 17.892 19.000 -0.024 0.000 0.849 299 A HN 0.242 nan 8.150 nan 0.000 0.445 300 V N -1.578 118.362 119.914 0.042 0.000 2.370 300 V HA -0.239 3.910 4.120 0.047 0.000 0.252 300 V C 2.475 178.600 176.094 0.051 0.000 1.068 300 V CA 2.250 64.584 62.300 0.057 0.000 1.061 300 V CB -1.800 30.071 31.823 0.080 0.000 0.656 300 V HN 0.583 nan 8.190 nan 0.000 0.455 301 A N 0.864 123.712 122.820 0.047 0.000 1.832 301 A HA -0.034 4.315 4.320 0.047 0.000 0.214 301 A C 2.331 179.942 177.584 0.044 0.000 1.200 301 A CA 1.871 53.937 52.037 0.049 0.000 0.610 301 A CB -0.852 18.178 19.000 0.051 0.000 0.842 301 A HN 0.498 nan 8.150 nan 0.000 0.444 302 L N -0.275 120.971 121.223 0.038 0.000 2.081 302 L HA -0.209 4.159 4.340 0.047 0.000 0.212 302 L C 2.644 179.529 176.870 0.025 0.000 1.080 302 L CA 2.478 57.340 54.840 0.038 0.000 0.754 302 L CB -1.426 40.656 42.059 0.038 0.000 0.893 302 L HN 0.461 nan 8.230 nan 0.000 0.433 303 A N 0.238 123.072 122.820 0.023 0.000 1.836 303 A HA -0.252 4.096 4.320 0.047 0.000 0.215 303 A C 2.265 179.862 177.584 0.022 0.000 1.214 303 A CA 3.213 55.261 52.037 0.018 0.000 0.636 303 A CB -1.413 17.602 19.000 0.025 0.000 0.847 303 A HN 0.456 nan 8.150 nan 0.000 0.451 304 V N -1.994 117.940 119.914 0.033 0.000 2.546 304 V HA -0.147 4.001 4.120 0.047 0.000 0.254 304 V C 2.492 178.604 176.094 0.030 0.000 1.076 304 V CA 2.104 64.425 62.300 0.036 0.000 1.087 304 V CB -1.839 30.013 31.823 0.048 0.000 0.674 304 V HN 0.702 nan 8.190 nan 0.000 0.470 305 A N 0.429 123.267 122.820 0.030 0.000 1.940 305 A HA 0.073 4.421 4.320 0.047 0.000 0.219 305 A C 2.407 179.998 177.584 0.012 0.000 1.176 305 A CA 2.649 54.701 52.037 0.026 0.000 0.631 305 A CB -0.747 18.273 19.000 0.033 0.000 0.814 305 A HN 1.021 nan 8.150 nan 0.000 0.446 306 A N -1.093 121.732 122.820 0.008 0.000 1.963 306 A HA 0.366 4.714 4.320 0.047 0.000 0.207 306 A C 0.775 178.366 177.584 0.011 0.000 1.243 306 A CA -0.112 51.925 52.037 0.000 0.000 0.728 306 A CB -0.034 18.956 19.000 -0.017 0.000 0.895 306 A HN 0.276 nan 8.150 nan 0.000 0.467 307 I N 1.934 122.511 120.570 0.012 0.000 2.948 307 I HA 0.009 4.207 4.170 0.047 0.000 0.284 307 I C -2.424 173.710 176.117 0.027 0.000 1.181 307 I CA -1.351 59.962 61.300 0.022 0.000 1.372 307 I CB -0.404 37.609 38.000 0.021 0.000 1.443 307 I HN 0.044 nan 8.210 nan 0.000 0.554 308 P HA 0.030 nan 4.420 nan 0.000 0.235 308 P C 0.682 177.996 177.300 0.022 0.000 1.765 308 P CA -0.149 62.967 63.100 0.027 0.000 1.034 308 P CB -0.254 31.472 31.700 0.043 0.000 1.984 309 E N 0.498 120.707 120.200 0.015 0.000 2.413 309 E HA -0.034 4.345 4.350 0.047 0.000 0.204 309 E C 0.859 177.457 176.600 -0.003 0.000 1.275 309 E CA 0.428 56.833 56.400 0.009 0.000 1.090 309 E CB -0.842 28.866 29.700 0.013 0.000 1.145 309 E HN 0.359 nan 8.360 nan 0.000 0.472 310 G N 0.281 109.082 108.800 0.002 0.000 2.599 310 G HA2 -0.035 3.954 3.960 0.047 0.000 0.196 310 G HA3 -0.035 3.954 3.960 0.047 0.000 0.196 310 G C 1.101 176.016 174.900 0.026 0.000 1.148 310 G CA 0.010 45.107 45.100 -0.004 0.000 0.809 310 G HN 0.214 nan 8.290 nan 0.000 0.764 311 L N 2.054 123.309 121.223 0.053 0.000 2.082 311 L HA -0.112 4.256 4.340 0.047 0.000 0.223 311 L C 0.098 177.031 176.870 0.104 0.000 1.086 311 L CA 2.959 57.863 54.840 0.106 0.000 0.793 311 L CB -0.803 41.289 42.059 0.055 0.000 0.896 311 L HN 0.134 nan 8.230 nan 0.000 0.441 312 P HA -0.183 nan 4.420 nan 0.000 0.213 312 P C 1.563 178.885 177.300 0.036 0.000 1.170 312 P CA 2.341 65.464 63.100 0.039 0.000 0.898 312 P CB -0.363 31.339 31.700 0.004 0.000 0.787 313 A N -0.597 122.228 122.820 0.008 0.000 1.997 313 A HA -0.177 4.172 4.320 0.047 0.000 0.221 313 A C 2.298 179.870 177.584 -0.019 0.000 1.172 313 A CA 2.337 54.368 52.037 -0.011 0.000 0.645 313 A CB -1.718 17.263 19.000 -0.031 0.000 0.813 313 A HN 0.126 nan 8.150 nan 0.000 0.454 314 V N 0.396 120.302 119.914 -0.014 0.000 2.426 314 V HA -0.141 4.007 4.120 0.047 0.000 0.242 314 V C 2.443 178.497 176.094 -0.068 0.000 1.036 314 V CA 1.397 63.624 62.300 -0.121 0.000 1.044 314 V CB -0.941 30.778 31.823 -0.173 0.000 0.688 314 V HN 0.750 nan 8.190 nan 0.000 0.462 315 I N -0.515 120.147 120.570 0.153 0.000 2.233 315 I HA -0.125 4.073 4.170 0.047 0.000 0.243 315 I C 2.376 178.553 176.117 0.101 0.000 1.093 315 I CA 1.997 63.434 61.300 0.228 0.000 1.380 315 I CB -1.244 36.885 38.000 0.216 0.000 1.067 315 I HN 0.204 nan 8.210 nan 0.000 0.413 316 T N 1.086 115.690 114.554 0.083 0.000 2.607 316 T HA -0.195 4.184 4.350 0.047 0.000 0.267 316 T C 1.892 176.635 174.700 0.072 0.000 1.049 316 T CA 2.564 64.722 62.100 0.096 0.000 1.162 316 T CB -0.821 68.122 68.868 0.125 0.000 0.863 316 T HN 0.455 nan 8.240 nan 0.000 0.424 317 T N 1.352 115.931 114.554 0.042 0.000 2.570 317 T HA -0.248 4.130 4.350 0.047 0.000 0.266 317 T C 2.289 176.959 174.700 -0.049 0.000 1.071 317 T CA 1.699 63.802 62.100 0.005 0.000 1.172 317 T CB -0.990 67.858 68.868 -0.034 0.000 0.864 317 T HN 0.624 nan 8.240 nan 0.000 0.421 318 C N 1.369 120.614 119.300 -0.090 0.000 2.367 318 C HA -0.128 4.360 4.460 0.047 0.000 0.276 318 C C 2.553 177.480 174.990 -0.105 0.000 1.195 318 C CA 1.002 59.935 59.018 -0.142 0.000 1.756 318 C CB -1.522 26.158 27.740 -0.099 0.000 2.046 318 C HN 0.457 nan 8.230 nan 0.000 0.453 319 L N 1.946 123.149 121.223 -0.034 0.000 1.989 319 L HA -0.032 4.337 4.340 0.047 0.000 0.211 319 L C 3.026 179.859 176.870 -0.062 0.000 1.071 319 L CA 2.537 57.358 54.840 -0.033 0.000 0.749 319 L CB -1.574 40.485 42.059 0.001 0.000 0.890 319 L HN 0.517 nan 8.230 nan 0.000 0.431 320 A N -0.585 122.210 122.820 -0.043 0.000 1.881 320 A HA -0.269 4.079 4.320 0.047 0.000 0.219 320 A C 2.264 179.801 177.584 -0.078 0.000 1.215 320 A CA 2.210 54.216 52.037 -0.052 0.000 0.648 320 A CB -1.196 17.811 19.000 0.012 0.000 0.832 320 A HN 0.403 nan 8.150 nan 0.000 0.455 321 L N -0.486 120.678 121.223 -0.099 0.000 2.651 321 L HA -0.113 4.256 4.340 0.047 0.000 0.236 321 L C 2.344 179.106 176.870 -0.181 0.000 1.173 321 L CA 0.427 55.179 54.840 -0.148 0.000 0.843 321 L CB -0.381 41.530 42.059 -0.245 0.000 0.964 321 L HN 0.578 nan 8.230 nan 0.000 0.454 322 G N -1.619 107.093 108.800 -0.146 0.000 2.486 322 G HA2 -0.140 3.848 3.960 0.047 0.000 0.210 322 G HA3 -0.140 3.848 3.960 0.047 0.000 0.210 322 G C 1.463 176.304 174.900 -0.100 0.000 1.168 322 G CA 0.634 45.656 45.100 -0.131 0.000 0.820 322 G HN 0.195 nan 8.290 nan 0.000 0.544 323 T N 1.605 116.104 114.554 -0.091 0.000 2.760 323 T HA -0.193 4.186 4.350 0.047 0.000 0.269 323 T C 2.443 177.098 174.700 -0.075 0.000 1.047 323 T CA 1.889 63.939 62.100 -0.084 0.000 1.139 323 T CB -0.128 68.681 68.868 -0.098 0.000 0.855 323 T HN 0.570 nan 8.240 nan 0.000 0.471 324 R N 1.130 121.585 120.500 -0.074 0.000 2.119 324 R HA 0.193 4.562 4.340 0.047 0.000 0.222 324 R C 2.283 178.550 176.300 -0.054 0.000 1.088 324 R CA 0.962 57.028 56.100 -0.057 0.000 0.984 324 R CB -0.409 29.863 30.300 -0.046 0.000 0.884 324 R HN 0.226 nan 8.270 nan 0.000 0.447 325 R N 0.522 120.979 120.500 -0.072 0.000 2.073 325 R HA 0.106 4.474 4.340 0.047 0.000 0.229 325 R C 2.015 178.280 176.300 -0.059 0.000 1.120 325 R CA 1.549 57.608 56.100 -0.069 0.000 0.967 325 R CB -0.087 30.154 30.300 -0.100 0.000 0.862 325 R HN 0.285 nan 8.270 nan 0.000 0.436 326 M N -0.146 119.416 119.600 -0.064 0.000 2.229 326 M HA -0.032 4.476 4.480 0.047 0.000 0.264 326 M C 2.289 178.560 176.300 -0.050 0.000 1.063 326 M CA 1.393 56.659 55.300 -0.057 0.000 1.114 326 M CB -0.075 32.489 32.600 -0.061 0.000 1.387 326 M HN 0.255 nan 8.290 nan 0.000 0.420 327 A N 0.105 122.895 122.820 -0.049 0.000 2.067 327 A HA -0.101 4.248 4.320 0.047 0.000 0.219 327 A C 2.059 179.623 177.584 -0.033 0.000 1.158 327 A CA 1.193 53.205 52.037 -0.042 0.000 0.661 327 A CB -0.328 18.647 19.000 -0.042 0.000 0.801 327 A HN 0.243 nan 8.150 nan 0.000 0.452 328 K N 0.195 120.576 120.400 -0.032 0.000 2.288 328 K HA -0.008 4.340 4.320 0.047 0.000 0.201 328 K C 0.842 177.427 176.600 -0.024 0.000 1.048 328 K CA 0.916 57.189 56.287 -0.024 0.000 0.956 328 K CB -0.065 32.422 32.500 -0.021 0.000 0.746 328 K HN 0.512 nan 8.250 nan 0.000 0.461 329 K N 0.979 121.360 120.400 -0.031 0.000 2.437 329 K HA 0.114 4.462 4.320 0.047 0.000 0.205 329 K C -0.428 176.152 176.600 -0.033 0.000 1.026 329 K CA -0.157 56.111 56.287 -0.032 0.000 1.153 329 K CB 0.258 32.735 32.500 -0.040 0.000 0.863 329 K HN 0.063 nan 8.250 nan 0.000 0.502 330 N N 0.367 119.049 118.700 -0.030 0.000 2.815 330 N HA -0.160 4.608 4.740 0.047 0.000 0.248 330 N C -1.000 174.490 175.510 -0.033 0.000 1.110 330 N CA 0.918 53.951 53.050 -0.027 0.000 0.699 330 N CB -1.221 37.253 38.487 -0.022 0.000 1.040 330 N HN 0.317 nan 8.380 nan 0.000 0.555 331 A N 0.735 123.532 122.820 -0.039 0.000 2.646 331 A HA 0.560 4.908 4.320 0.047 0.000 0.312 331 A C 0.433 177.990 177.584 -0.046 0.000 1.245 331 A CA -0.523 51.487 52.037 -0.044 0.000 0.755 331 A CB 0.392 19.360 19.000 -0.052 0.000 1.132 331 A HN 0.270 nan 8.150 nan 0.000 0.458 332 I N 3.035 123.579 120.570 -0.042 0.000 2.357 332 I HA 0.048 4.246 4.170 0.047 0.000 0.300 332 I C -0.127 175.959 176.117 -0.052 0.000 1.159 332 I CA -0.081 61.191 61.300 -0.047 0.000 1.339 332 I CB 0.447 38.423 38.000 -0.041 0.000 1.458 332 I HN 0.252 nan 8.210 nan 0.000 0.577 333 V N 7.945 127.823 119.914 -0.060 0.000 2.439 333 V HA 0.112 4.260 4.120 0.047 0.000 0.271 333 V C 1.540 177.590 176.094 -0.074 0.000 1.040 333 V CA -0.114 62.148 62.300 -0.063 0.000 1.002 333 V CB 0.654 32.438 31.823 -0.066 0.000 1.000 333 V HN 0.736 nan 8.190 nan 0.000 0.477 334 R N 2.308 122.767 120.500 -0.068 0.000 2.055 334 R HA -0.024 4.345 4.340 0.047 0.000 0.228 334 R C 1.512 177.756 176.300 -0.093 0.000 1.143 334 R CA 1.070 57.124 56.100 -0.076 0.000 0.945 334 R CB -0.125 30.139 30.300 -0.059 0.000 0.841 334 R HN 0.641 nan 8.270 nan 0.000 0.429 335 S N -0.191 115.462 115.700 -0.078 0.000 2.641 335 S HA 0.106 4.605 4.470 0.047 0.000 0.261 335 S C 0.885 175.430 174.600 -0.092 0.000 1.257 335 S CA -0.654 57.497 58.200 -0.081 0.000 0.983 335 S CB 0.682 63.848 63.200 -0.057 0.000 0.990 335 S HN 0.141 nan 8.310 nan 0.000 0.572 336 L N 1.522 122.694 121.223 -0.086 0.000 2.546 336 L HA 0.335 4.703 4.340 0.047 0.000 0.182 336 L C -1.094 175.750 176.870 -0.043 0.000 1.167 336 L CA 0.555 55.347 54.840 -0.080 0.000 0.845 336 L CB -2.241 39.764 42.059 -0.090 0.000 1.134 336 L HN 0.443 nan 8.230 nan 0.000 0.500 337 P HA -0.190 nan 4.420 nan 0.000 0.219 337 P C 1.825 179.113 177.300 -0.019 0.000 1.161 337 P CA 2.330 65.424 63.100 -0.010 0.000 0.909 337 P CB 0.017 31.713 31.700 -0.007 0.000 0.793 338 S N -0.308 115.373 115.700 -0.031 0.000 2.457 338 S HA -0.282 4.216 4.470 0.047 0.000 0.269 338 S C 1.906 176.484 174.600 -0.037 0.000 1.139 338 S CA 2.250 60.428 58.200 -0.037 0.000 1.176 338 S CB -2.029 61.145 63.200 -0.043 0.000 1.088 338 S HN 0.259 nan 8.310 nan 0.000 0.443 339 V N 0.538 120.431 119.914 -0.036 0.000 2.764 339 V HA -0.212 3.936 4.120 0.047 0.000 0.261 339 V C 2.079 178.163 176.094 -0.016 0.000 1.108 339 V CA 2.263 64.544 62.300 -0.032 0.000 1.129 339 V CB -0.594 31.208 31.823 -0.034 0.000 0.701 339 V HN 0.420 nan 8.190 nan 0.000 0.495 340 E N 1.008 121.202 120.200 -0.010 0.000 2.022 340 E HA -0.158 4.220 4.350 0.047 0.000 0.190 340 E C 2.332 178.889 176.600 -0.071 0.000 0.973 340 E CA 1.793 58.194 56.400 0.003 0.000 0.816 340 E CB -0.448 29.268 29.700 0.027 0.000 0.781 340 E HN 0.600 nan 8.360 nan 0.000 0.456 341 T N 1.229 115.731 114.554 -0.086 0.000 2.881 341 T HA -0.140 4.238 4.350 0.047 0.000 0.270 341 T C 1.830 176.478 174.700 -0.086 0.000 1.068 341 T CA 0.869 62.902 62.100 -0.111 0.000 1.131 341 T CB -0.346 68.474 68.868 -0.081 0.000 0.871 341 T HN 0.082 nan 8.240 nan 0.000 0.479 342 L N 1.087 122.273 121.223 -0.062 0.000 2.671 342 L HA 0.109 4.477 4.340 0.047 0.000 0.236 342 L C 1.854 178.691 176.870 -0.055 0.000 1.178 342 L CA 1.441 56.249 54.840 -0.054 0.000 0.829 342 L CB -0.932 41.098 42.059 -0.048 0.000 0.956 342 L HN 0.415 nan 8.230 nan 0.000 0.455 343 G N -3.812 104.948 108.800 -0.067 0.000 3.228 343 G HA2 0.044 4.032 3.960 0.047 0.000 0.245 343 G HA3 0.044 4.032 3.960 0.047 0.000 0.245 343 G C 0.910 175.764 174.900 -0.078 0.000 1.051 343 G CA 0.505 45.570 45.100 -0.058 0.000 0.809 343 G HN 0.433 nan 8.290 nan 0.000 0.531 344 C N 1.720 120.958 119.300 -0.104 0.000 2.974 344 C HA 0.212 4.700 4.460 0.047 0.000 0.282 344 C C 1.221 176.176 174.990 -0.059 0.000 1.292 344 C CA -0.584 58.372 59.018 -0.103 0.000 1.710 344 C CB -1.042 26.607 27.740 -0.153 0.000 2.036 344 C HN 0.295 nan 8.230 nan 0.000 0.629 345 T N 1.960 116.485 114.554 -0.049 0.000 2.640 345 T HA -0.068 4.311 4.350 0.047 0.000 0.252 345 T C 1.308 175.999 174.700 -0.014 0.000 1.038 345 T CA 0.907 62.989 62.100 -0.030 0.000 1.307 345 T CB 0.285 69.133 68.868 -0.033 0.000 1.014 345 T HN 0.646 nan 8.240 nan 0.000 0.523 346 S N 2.972 118.670 115.700 -0.004 0.000 2.414 346 S HA 0.068 4.567 4.470 0.047 0.000 0.227 346 S C 0.601 175.214 174.600 0.023 0.000 1.022 346 S CA 0.135 58.342 58.200 0.011 0.000 0.958 346 S CB 0.215 63.427 63.200 0.020 0.000 0.797 346 S HN 0.475 nan 8.310 nan 0.000 0.493 347 V N 1.734 121.663 119.914 0.024 0.000 2.760 347 V HA 0.531 4.679 4.120 0.047 0.000 0.309 347 V C -0.913 175.206 176.094 0.041 0.000 1.077 347 V CA -0.769 61.553 62.300 0.038 0.000 0.910 347 V CB 1.851 33.697 31.823 0.039 0.000 1.008 347 V HN 0.281 nan 8.190 nan 0.000 0.424 348 I N 3.178 123.789 120.570 0.068 0.000 2.420 348 I HA 0.346 4.544 4.170 0.047 0.000 0.282 348 I C -0.491 175.697 176.117 0.119 0.000 1.019 348 I CA -0.154 61.201 61.300 0.093 0.000 1.130 348 I CB 1.373 39.451 38.000 0.130 0.000 1.262 348 I HN 0.535 nan 8.210 nan 0.000 0.454 349 C N 4.343 123.689 119.300 0.076 0.000 2.394 349 C HA 0.486 4.974 4.460 0.047 0.000 0.362 349 C C 0.795 175.824 174.990 0.065 0.000 1.268 349 C CA -0.085 58.967 59.018 0.055 0.000 1.828 349 C CB 0.103 27.849 27.740 0.010 0.000 2.442 349 C HN 0.766 nan 8.230 nan 0.000 0.549 350 S N 2.611 118.342 115.700 0.052 0.000 2.526 350 S HA 0.427 4.925 4.470 0.047 0.000 0.293 350 S C -0.814 173.774 174.600 -0.020 0.000 1.092 350 S CA -0.627 57.602 58.200 0.048 0.000 0.980 350 S CB 0.749 64.019 63.200 0.118 0.000 1.048 350 S HN 0.761 nan 8.310 nan 0.000 0.483 351 D N 2.659 123.054 120.400 -0.008 0.000 2.329 351 D HA 0.186 4.854 4.640 0.047 0.000 0.246 351 D C 0.737 177.011 176.300 -0.043 0.000 1.111 351 D CA -0.390 53.596 54.000 -0.023 0.000 0.941 351 D CB 1.056 41.849 40.800 -0.010 0.000 1.169 351 D HN 0.508 nan 8.370 nan 0.000 0.441 352 K N 0.171 120.543 120.400 -0.047 0.000 2.005 352 K HA -0.026 4.323 4.320 0.047 0.000 0.214 352 K C 0.167 176.748 176.600 -0.032 0.000 1.030 352 K CA 0.430 56.682 56.287 -0.059 0.000 0.955 352 K CB -0.320 32.148 32.500 -0.052 0.000 0.767 352 K HN 0.398 nan 8.250 nan 0.000 0.446 353 T N 0.679 115.223 114.554 -0.016 0.000 2.777 353 T HA 0.066 4.444 4.350 0.047 0.000 0.273 353 T C 0.904 175.608 174.700 0.005 0.000 1.016 353 T CA 0.800 62.899 62.100 -0.002 0.000 1.156 353 T CB 0.075 68.945 68.868 0.003 0.000 1.019 353 T HN 0.707 nan 8.240 nan 0.000 0.503 354 G N 2.836 111.644 108.800 0.013 0.000 2.253 354 G HA2 -0.324 3.665 3.960 0.047 0.000 0.251 354 G HA3 -0.324 3.665 3.960 0.047 0.000 0.251 354 G C 0.764 175.683 174.900 0.031 0.000 0.998 354 G CA 0.645 45.758 45.100 0.021 0.000 0.621 354 G HN 0.804 nan 8.290 nan 0.000 0.524 355 T N -0.292 114.281 114.554 0.031 0.000 3.330 355 T HA 0.305 4.683 4.350 0.047 0.000 0.240 355 T C 1.805 176.543 174.700 0.063 0.000 0.988 355 T CA 0.761 62.902 62.100 0.069 0.000 1.253 355 T CB -0.239 68.686 68.868 0.094 0.000 1.163 355 T HN 0.083 nan 8.240 nan 0.000 0.382 356 L N 2.452 123.660 121.223 -0.025 0.000 2.465 356 L HA 0.183 4.551 4.340 0.047 0.000 0.224 356 L C 1.599 178.439 176.870 -0.050 0.000 1.145 356 L CA 1.028 55.801 54.840 -0.110 0.000 0.834 356 L CB -0.978 40.931 42.059 -0.250 0.000 0.944 356 L HN 0.599 nan 8.230 nan 0.000 0.451 357 T N -6.244 108.298 114.554 -0.020 0.000 2.619 357 T HA 0.459 4.837 4.350 0.047 0.000 0.244 357 T C 0.851 175.561 174.700 0.016 0.000 0.893 357 T CA 0.309 62.406 62.100 -0.006 0.000 1.093 357 T CB 1.269 70.130 68.868 -0.012 0.000 1.567 357 T HN -0.024 nan 8.240 nan 0.000 0.549 358 T N -2.818 111.749 114.554 0.023 0.000 3.130 358 T HA 0.309 4.688 4.350 0.047 0.000 0.288 358 T C 0.581 175.313 174.700 0.053 0.000 0.936 358 T CA 0.228 62.351 62.100 0.038 0.000 0.897 358 T CB -0.924 67.969 68.868 0.042 0.000 1.178 358 T HN 0.888 nan 8.240 nan 0.000 0.543 359 N N 1.645 120.374 118.700 0.048 0.000 2.714 359 N HA -0.163 4.605 4.740 0.047 0.000 0.252 359 N C -0.739 174.852 175.510 0.135 0.000 1.014 359 N CA 0.236 53.327 53.050 0.068 0.000 0.735 359 N CB -0.269 38.249 38.487 0.051 0.000 0.924 359 N HN 0.426 nan 8.380 nan 0.000 0.540 360 Q N 0.938 120.815 119.800 0.129 0.000 2.462 360 Q HA 0.193 4.561 4.340 0.047 0.000 0.395 360 Q C -0.072 175.925 176.000 -0.004 0.000 0.911 360 Q CA -0.416 55.507 55.803 0.200 0.000 1.112 360 Q CB 0.482 29.298 28.738 0.130 0.000 1.350 360 Q HN 0.402 nan 8.270 nan 0.000 0.407 361 M N 1.223 120.834 119.600 0.018 0.000 2.193 361 M HA -0.106 4.402 4.480 0.047 0.000 0.332 361 M C 0.206 176.332 176.300 -0.289 0.000 1.044 361 M CA 0.928 56.171 55.300 -0.096 0.000 0.967 361 M CB 0.139 32.734 32.600 -0.008 0.000 1.631 361 M HN 0.211 nan 8.290 nan 0.000 0.454 362 S N 2.456 118.038 115.700 -0.196 0.000 2.616 362 S HA 0.509 5.007 4.470 0.047 0.000 0.276 362 S C -1.334 173.182 174.600 -0.141 0.000 1.159 362 S CA -1.022 57.048 58.200 -0.215 0.000 1.000 362 S CB 0.673 63.751 63.200 -0.203 0.000 1.117 362 S HN 0.432 nan 8.310 nan 0.000 0.464 363 V N 5.295 125.131 119.914 -0.130 0.000 2.529 363 V HA 0.137 4.285 4.120 0.047 0.000 0.292 363 V C 1.139 177.168 176.094 -0.110 0.000 1.028 363 V CA -0.079 62.163 62.300 -0.096 0.000 1.074 363 V CB 0.159 31.933 31.823 -0.081 0.000 0.958 363 V HN 1.110 nan 8.190 nan 0.000 0.481 364 C N 3.555 122.778 119.300 -0.128 0.000 2.393 364 C HA 0.283 4.771 4.460 0.047 0.000 0.332 364 C C 1.039 175.909 174.990 -0.201 0.000 1.423 364 C CA -0.143 58.778 59.018 -0.161 0.000 2.097 364 C CB -0.153 27.474 27.740 -0.188 0.000 2.274 364 C HN 0.826 nan 8.230 nan 0.000 0.570 365 K N 0.885 121.096 120.400 -0.316 0.000 2.352 365 K HA 0.822 5.171 4.320 0.047 0.000 0.240 365 K C -0.923 175.602 176.600 -0.126 0.000 1.017 365 K CA -0.196 55.841 56.287 -0.417 0.000 0.851 365 K CB 1.757 33.544 32.500 -1.188 0.000 1.261 365 K HN 0.421 nan 8.250 nan 0.000 0.451 366 M N -0.100 119.627 119.600 0.212 0.000 2.484 366 M HA 0.491 5.000 4.480 0.047 0.000 0.292 366 M C -1.788 174.881 176.300 0.616 0.000 1.123 366 M CA -0.985 54.576 55.300 0.435 0.000 0.910 366 M CB 1.166 33.867 32.600 0.170 0.000 1.782 366 M HN 0.586 nan 8.290 nan 0.000 0.512 367 F N 1.539 121.729 119.950 0.399 0.000 2.643 367 F HA 0.997 5.552 4.527 0.047 0.000 0.314 367 F C -1.553 174.361 175.800 0.191 0.000 1.096 367 F CA -1.093 57.074 58.000 0.279 0.000 0.953 367 F CB 1.132 40.256 39.000 0.206 0.000 1.345 367 F HN 0.780 nan 8.300 nan 0.000 0.468 368 I N -0.645 120.096 120.570 0.286 0.000 3.264 368 I HA 0.591 4.789 4.170 0.047 0.000 0.315 368 I C -1.173 175.114 176.117 0.282 0.000 1.154 368 I CA -1.341 60.050 61.300 0.151 0.000 0.962 368 I CB 1.570 39.613 38.000 0.071 0.000 1.265 368 I HN 0.452 nan 8.210 nan 0.000 0.463 369 I N 2.452 123.170 120.570 0.247 0.000 2.496 369 I HA 0.101 4.300 4.170 0.047 0.000 0.285 369 I C 0.705 176.904 176.117 0.135 0.000 1.080 369 I CA 0.485 61.919 61.300 0.224 0.000 1.404 369 I CB 0.490 38.628 38.000 0.230 0.000 1.403 369 I HN 0.842 nan 8.210 nan 0.000 0.539 370 D N 5.717 126.177 120.400 0.099 0.000 2.278 370 D HA 0.019 4.687 4.640 0.047 0.000 0.228 370 D C 0.318 176.662 176.300 0.072 0.000 1.020 370 D CA 1.236 55.275 54.000 0.065 0.000 0.922 370 D CB 0.605 41.421 40.800 0.026 0.000 1.051 370 D HN 0.645 nan 8.370 nan 0.000 0.452 371 K N -0.942 119.497 120.400 0.065 0.000 2.527 371 K HA 0.604 4.952 4.320 0.047 0.000 0.260 371 K C -1.756 174.883 176.600 0.065 0.000 0.937 371 K CA -0.973 55.351 56.287 0.063 0.000 0.826 371 K CB 2.542 35.074 32.500 0.053 0.000 1.359 371 K HN -0.142 nan 8.250 nan 0.000 0.434 372 V N 1.598 121.549 119.914 0.062 0.000 2.443 372 V HA 0.482 4.630 4.120 0.047 0.000 0.293 372 V C -1.430 174.695 176.094 0.053 0.000 1.021 372 V CA -0.301 62.033 62.300 0.058 0.000 0.848 372 V CB 1.182 33.036 31.823 0.053 0.000 0.998 372 V HN 0.991 nan 8.190 nan 0.000 0.424 373 D N 2.840 123.278 120.400 0.064 0.000 2.706 373 D HA 0.551 5.219 4.640 0.047 0.000 0.225 373 D C 0.490 176.842 176.300 0.087 0.000 1.241 373 D CA 0.594 54.631 54.000 0.061 0.000 0.784 373 D CB 1.935 42.772 40.800 0.060 0.000 1.521 373 D HN 0.918 nan 8.370 nan 0.000 0.461 374 G N 2.573 111.409 108.800 0.061 0.000 2.305 374 G HA2 -0.290 3.698 3.960 0.047 0.000 0.287 374 G HA3 -0.290 3.698 3.960 0.047 0.000 0.287 374 G C 0.217 175.108 174.900 -0.015 0.000 1.036 374 G CA 0.759 45.904 45.100 0.076 0.000 0.887 374 G HN 0.907 nan 8.290 nan 0.000 0.505 375 D N -2.839 117.492 120.400 -0.116 0.000 2.911 375 D HA -0.192 4.476 4.640 0.047 0.000 0.227 375 D C 0.093 176.059 176.300 -0.557 0.000 1.164 375 D CA 1.830 55.638 54.000 -0.320 0.000 0.782 375 D CB -1.363 39.174 40.800 -0.439 0.000 1.094 375 D HN 0.594 nan 8.370 nan 0.000 0.425 376 F N 0.576 120.519 119.950 -0.012 0.000 2.959 376 F HA 0.287 4.842 4.527 0.047 0.000 0.379 376 F C 0.430 176.220 175.800 -0.016 0.000 1.215 376 F CA -1.562 56.427 58.000 -0.019 0.000 1.190 376 F CB 0.774 39.763 39.000 -0.018 0.000 1.574 376 F HN 0.158 nan 8.300 nan 0.000 0.575 377 C N 1.256 120.632 119.300 0.126 0.000 2.388 377 C HA 0.880 5.369 4.460 0.047 0.000 0.362 377 C C 0.742 175.769 174.990 0.062 0.000 1.266 377 C CA -0.357 58.709 59.018 0.079 0.000 2.028 377 C CB 0.046 27.812 27.740 0.044 0.000 2.440 377 C HN 0.800 nan 8.230 nan 0.000 0.547 378 S N 4.488 120.216 115.700 0.047 0.000 2.690 378 S HA 0.852 5.350 4.470 0.047 0.000 0.285 378 S C -0.485 174.123 174.600 0.014 0.000 1.135 378 S CA -0.753 57.456 58.200 0.014 0.000 1.020 378 S CB 0.645 63.849 63.200 0.006 0.000 1.159 378 S HN 0.904 nan 8.310 nan 0.000 0.534 379 L N -0.465 120.746 121.223 -0.020 0.000 2.251 379 L HA 0.590 4.958 4.340 0.047 0.000 0.244 379 L C -0.979 175.860 176.870 -0.051 0.000 1.095 379 L CA -1.016 53.828 54.840 0.006 0.000 0.910 379 L CB 1.740 43.761 42.059 -0.064 0.000 1.516 379 L HN 0.585 nan 8.230 nan 0.000 0.429 380 N N 1.134 119.803 118.700 -0.051 0.000 2.648 380 N HA 0.243 5.011 4.740 0.047 0.000 0.261 380 N C -1.516 173.750 175.510 -0.407 0.000 1.138 380 N CA -0.288 52.569 53.050 -0.320 0.000 0.804 380 N CB 1.477 39.753 38.487 -0.353 0.000 1.237 380 N HN 0.546 nan 8.380 nan 0.000 0.532 381 E N 1.740 121.728 120.200 -0.353 0.000 2.146 381 E HA 0.343 4.721 4.350 0.047 0.000 0.282 381 E C -0.521 175.853 176.600 -0.377 0.000 0.989 381 E CA -0.307 56.021 56.400 -0.120 0.000 0.799 381 E CB 1.095 30.850 29.700 0.092 0.000 1.088 381 E HN 0.281 nan 8.360 nan 0.000 0.397 382 F N 0.792 120.775 119.950 0.055 0.000 2.509 382 F HA 0.475 5.031 4.527 0.047 0.000 0.334 382 F C 0.770 176.555 175.800 -0.026 0.000 1.060 382 F CA -0.850 57.144 58.000 -0.010 0.000 0.997 382 F CB 1.486 40.466 39.000 -0.033 0.000 1.271 382 F HN 0.309 nan 8.300 nan 0.000 0.488 383 S N 1.336 117.124 115.700 0.147 0.000 2.599 383 S HA 0.882 5.380 4.470 0.047 0.000 0.287 383 S C -1.337 173.273 174.600 0.016 0.000 1.105 383 S CA -0.789 57.419 58.200 0.012 0.000 0.899 383 S CB 1.970 65.145 63.200 -0.041 0.000 1.100 383 S HN 0.431 nan 8.310 nan 0.000 0.482 384 I N 1.289 121.836 120.570 -0.038 0.000 2.785 384 I HA 0.563 4.761 4.170 0.047 0.000 0.302 384 I C -0.126 175.957 176.117 -0.058 0.000 1.069 384 I CA -0.647 60.627 61.300 -0.043 0.000 1.045 384 I CB 1.544 39.508 38.000 -0.060 0.000 1.236 384 I HN 0.930 nan 8.210 nan 0.000 0.429 385 T N -0.782 113.742 114.554 -0.051 0.000 2.918 385 T HA 0.795 5.173 4.350 0.047 0.000 0.286 385 T C 0.199 174.863 174.700 -0.059 0.000 1.026 385 T CA -0.679 61.390 62.100 -0.051 0.000 1.031 385 T CB 1.792 70.639 68.868 -0.036 0.000 1.046 385 T HN 1.459 nan 8.240 nan 0.000 0.479 386 G N 1.009 109.775 108.800 -0.058 0.000 3.238 386 G HA2 0.011 3.999 3.960 0.047 0.000 0.684 386 G HA3 0.011 3.999 3.960 0.047 0.000 0.684 386 G C 0.579 175.431 174.900 -0.080 0.000 1.156 386 G CA 0.231 45.297 45.100 -0.057 0.000 1.048 386 G HN 1.540 nan 8.290 nan 0.000 0.462 387 S N 1.159 116.817 115.700 -0.071 0.000 2.374 387 S HA -0.095 4.403 4.470 0.047 0.000 0.227 387 S C 1.800 176.328 174.600 -0.120 0.000 1.037 387 S CA 2.336 60.482 58.200 -0.090 0.000 1.024 387 S CB -0.358 62.810 63.200 -0.054 0.000 0.861 387 S HN 2.064 nan 8.310 nan 0.000 0.456 388 T N -0.142 114.375 114.554 -0.062 0.000 2.709 388 T HA -0.028 4.350 4.350 0.047 0.000 0.345 388 T C 0.479 175.111 174.700 -0.112 0.000 1.086 388 T CA 0.442 62.530 62.100 -0.020 0.000 1.084 388 T CB -0.090 68.806 68.868 0.047 0.000 1.000 388 T HN 0.415 nan 8.240 nan 0.000 0.549 389 Y N 1.006 121.306 120.300 -0.001 0.000 2.511 389 Y HA 0.397 4.975 4.550 0.047 0.000 0.279 389 Y C 1.585 177.415 175.900 -0.117 0.000 1.157 389 Y CA 0.283 58.369 58.100 -0.023 0.000 1.300 389 Y CB -0.218 38.261 38.460 0.031 0.000 1.052 389 Y HN 0.685 nan 8.280 nan 0.000 0.529 390 A N 1.844 124.643 122.820 -0.034 0.000 2.462 390 A HA 0.152 4.500 4.320 0.047 0.000 0.243 390 A C -1.685 175.666 177.584 -0.387 0.000 1.076 390 A CA -1.090 50.704 52.037 -0.404 0.000 0.773 390 A CB -0.190 18.752 19.000 -0.098 0.000 1.010 390 A HN 0.115 nan 8.150 nan 0.000 0.493 391 P HA 0.055 nan 4.420 nan 0.000 0.258 391 P C -0.541 176.651 177.300 -0.180 0.000 1.559 391 P CA 0.424 63.351 63.100 -0.289 0.000 0.855 391 P CB -0.274 31.267 31.700 -0.266 0.000 1.594 392 E N 0.684 120.794 120.200 -0.149 0.000 1.993 392 E HA 0.552 4.930 4.350 0.047 0.000 0.271 392 E C 0.611 177.175 176.600 -0.059 0.000 1.008 392 E CA -0.482 55.873 56.400 -0.074 0.000 0.814 392 E CB 0.830 30.513 29.700 -0.029 0.000 1.098 392 E HN 0.190 nan 8.360 nan 0.000 0.407 393 G N 2.502 111.268 108.800 -0.056 0.000 2.349 393 G HA2 0.318 4.306 3.960 0.047 0.000 0.294 393 G HA3 0.318 4.306 3.960 0.047 0.000 0.294 393 G C -1.681 173.194 174.900 -0.042 0.000 1.380 393 G CA -0.880 44.191 45.100 -0.048 0.000 0.811 393 G HN 0.412 nan 8.290 nan 0.000 0.519 394 E N -1.169 119.011 120.200 -0.034 0.000 2.317 394 E HA 0.657 5.035 4.350 0.047 0.000 0.270 394 E C -1.410 175.180 176.600 -0.017 0.000 0.885 394 E CA -1.016 55.370 56.400 -0.024 0.000 0.760 394 E CB 2.677 32.370 29.700 -0.011 0.000 1.227 394 E HN 0.328 nan 8.360 nan 0.000 0.434 395 V N 2.893 122.801 119.914 -0.009 0.000 2.383 395 V HA 0.339 4.487 4.120 0.047 0.000 0.275 395 V C -0.230 175.905 176.094 0.068 0.000 1.036 395 V CA -0.533 61.775 62.300 0.012 0.000 0.889 395 V CB 0.386 32.190 31.823 -0.032 0.000 0.985 395 V HN 0.536 nan 8.190 nan 0.000 0.459 396 L N 2.746 124.027 121.223 0.098 0.000 2.409 396 L HA 0.675 5.044 4.340 0.047 0.000 0.272 396 L C -0.479 176.482 176.870 0.152 0.000 0.980 396 L CA -0.800 54.111 54.840 0.118 0.000 0.826 396 L CB 1.612 43.707 42.059 0.060 0.000 1.268 396 L HN 0.432 nan 8.230 nan 0.000 0.407 397 K N 3.492 124.008 120.400 0.193 0.000 2.268 397 K HA 0.345 4.693 4.320 0.047 0.000 0.276 397 K C -0.406 176.217 176.600 0.038 0.000 1.080 397 K CA -0.132 56.212 56.287 0.094 0.000 0.910 397 K CB 0.114 32.681 32.500 0.112 0.000 1.163 397 K HN 0.911 nan 8.250 nan 0.000 0.465 398 N N 4.644 123.344 118.700 -0.000 0.000 2.858 398 N HA -0.148 4.620 4.740 0.047 0.000 0.247 398 N C -0.949 174.567 175.510 0.011 0.000 1.092 398 N CA 0.524 53.572 53.050 -0.003 0.000 0.675 398 N CB -0.577 37.909 38.487 -0.002 0.000 0.959 398 N HN 0.899 nan 8.380 nan 0.000 0.558 399 D N -1.738 118.668 120.400 0.011 0.000 2.955 399 D HA -0.213 4.456 4.640 0.047 0.000 0.205 399 D C -0.421 175.891 176.300 0.021 0.000 1.104 399 D CA 1.582 55.588 54.000 0.010 0.000 1.005 399 D CB -0.304 40.497 40.800 0.002 0.000 1.123 399 D HN 0.584 nan 8.370 nan 0.000 0.407 400 K N 1.268 121.689 120.400 0.035 0.000 2.425 400 K HA 0.310 4.658 4.320 0.047 0.000 0.259 400 K C -2.463 174.176 176.600 0.063 0.000 0.978 400 K CA -1.515 54.797 56.287 0.041 0.000 0.883 400 K CB 2.151 34.675 32.500 0.039 0.000 1.110 400 K HN -0.068 nan 8.250 nan 0.000 0.436 401 P HA -0.092 nan 4.420 nan 0.000 0.261 401 P C -0.301 177.047 177.300 0.079 0.000 1.173 401 P CA 0.208 63.345 63.100 0.061 0.000 0.760 401 P CB 0.352 32.071 31.700 0.032 0.000 0.783 402 I N 0.786 121.428 120.570 0.120 0.000 3.237 402 I HA 0.552 4.750 4.170 0.047 0.000 0.308 402 I C -0.138 176.021 176.117 0.070 0.000 1.093 402 I CA -1.844 59.539 61.300 0.138 0.000 1.001 402 I CB 1.449 39.650 38.000 0.335 0.000 1.245 402 I HN 0.221 nan 8.210 nan 0.000 0.485 403 R N 1.511 122.015 120.500 0.007 0.000 2.287 403 R HA 0.315 4.684 4.340 0.047 0.000 0.327 403 R C 0.627 176.884 176.300 -0.073 0.000 1.109 403 R CA -0.051 56.016 56.100 -0.056 0.000 1.013 403 R CB 0.621 30.862 30.300 -0.099 0.000 1.126 403 R HN 0.844 nan 8.270 nan 0.000 0.503 404 S N 2.017 117.680 115.700 -0.062 0.000 2.421 404 S HA -0.230 4.268 4.470 0.047 0.000 0.239 404 S C 1.692 176.212 174.600 -0.132 0.000 1.054 404 S CA 1.917 60.044 58.200 -0.121 0.000 1.035 404 S CB 0.002 63.095 63.200 -0.178 0.000 0.840 404 S HN 0.843 nan 8.310 nan 0.000 0.475 405 G N 0.292 108.995 108.800 -0.162 0.000 2.572 405 G HA2 -0.097 3.891 3.960 0.047 0.000 0.216 405 G HA3 -0.097 3.891 3.960 0.047 0.000 0.216 405 G C 1.157 175.942 174.900 -0.192 0.000 1.133 405 G CA 0.057 45.033 45.100 -0.207 0.000 0.791 405 G HN 0.528 nan 8.290 nan 0.000 0.538 406 Q N -0.722 118.928 119.800 -0.250 0.000 2.488 406 Q HA 0.088 4.456 4.340 0.047 0.000 0.211 406 Q C -0.289 175.477 176.000 -0.389 0.000 0.967 406 Q CA 0.186 55.783 55.803 -0.343 0.000 0.926 406 Q CB 0.139 28.601 28.738 -0.459 0.000 0.992 406 Q HN 0.446 nan 8.270 nan 0.000 0.506 407 F N 1.402 121.318 119.950 -0.058 0.000 2.309 407 F HA 0.148 4.703 4.527 0.047 0.000 0.366 407 F C 0.831 176.589 175.800 -0.069 0.000 1.104 407 F CA -1.224 56.766 58.000 -0.017 0.000 1.179 407 F CB 0.632 39.653 39.000 0.036 0.000 1.437 407 F HN -0.122 nan 8.300 nan 0.000 0.528 408 D N 2.463 122.929 120.400 0.110 0.000 2.421 408 D HA -0.281 4.387 4.640 0.047 0.000 0.195 408 D C 2.341 178.640 176.300 -0.002 0.000 1.022 408 D CA 2.141 56.155 54.000 0.024 0.000 0.871 408 D CB -0.538 40.283 40.800 0.035 0.000 1.026 408 D HN 0.673 nan 8.370 nan 0.000 0.462 409 G N 1.089 109.910 108.800 0.034 0.000 2.547 409 G HA2 -0.289 3.700 3.960 0.047 0.000 0.221 409 G HA3 -0.289 3.700 3.960 0.047 0.000 0.221 409 G C 1.838 176.693 174.900 -0.076 0.000 1.140 409 G CA 0.766 45.855 45.100 -0.018 0.000 0.760 409 G HN 0.301 nan 8.290 nan 0.000 0.583 410 L N 0.259 121.449 121.223 -0.055 0.000 2.187 410 L HA -0.119 4.250 4.340 0.047 0.000 0.213 410 L C 2.962 179.710 176.870 -0.203 0.000 1.100 410 L CA 0.563 55.305 54.840 -0.164 0.000 0.765 410 L CB -0.202 41.707 42.059 -0.249 0.000 0.904 410 L HN 0.193 nan 8.230 nan 0.000 0.437 411 V N -0.508 119.288 119.914 -0.195 0.000 2.229 411 V HA -0.300 3.848 4.120 0.047 0.000 0.243 411 V C 2.323 178.271 176.094 -0.243 0.000 1.042 411 V CA 1.996 64.131 62.300 -0.275 0.000 1.000 411 V CB -0.592 31.053 31.823 -0.297 0.000 0.637 411 V HN 0.464 nan 8.190 nan 0.000 0.446 412 E N 0.031 120.107 120.200 -0.207 0.000 2.130 412 E HA -0.260 4.119 4.350 0.047 0.000 0.196 412 E C 2.223 178.645 176.600 -0.296 0.000 0.998 412 E CA 1.409 57.658 56.400 -0.251 0.000 0.806 412 E CB -0.179 29.405 29.700 -0.195 0.000 0.738 412 E HN 0.404 nan 8.360 nan 0.000 0.459 413 L N 0.838 121.914 121.223 -0.245 0.000 1.990 413 L HA -0.202 4.166 4.340 0.047 0.000 0.213 413 L C 2.297 179.028 176.870 -0.232 0.000 1.072 413 L CA 2.517 57.212 54.840 -0.242 0.000 0.755 413 L CB -1.467 40.465 42.059 -0.211 0.000 0.889 413 L HN 0.252 nan 8.230 nan 0.000 0.432 414 A N -1.281 121.407 122.820 -0.219 0.000 1.930 414 A HA -0.160 4.188 4.320 0.047 0.000 0.217 414 A C 2.190 179.666 177.584 -0.180 0.000 1.175 414 A CA 1.930 53.857 52.037 -0.184 0.000 0.627 414 A CB -0.945 17.945 19.000 -0.183 0.000 0.815 414 A HN 0.529 nan 8.150 nan 0.000 0.443 415 T N 0.741 115.155 114.554 -0.233 0.000 2.635 415 T HA -0.173 4.206 4.350 0.047 0.000 0.267 415 T C 1.802 176.291 174.700 -0.352 0.000 1.040 415 T CA 1.752 63.696 62.100 -0.260 0.000 1.156 415 T CB -0.487 68.145 68.868 -0.393 0.000 0.863 415 T HN 0.448 nan 8.240 nan 0.000 0.430 416 I N 0.791 121.067 120.570 -0.489 0.000 2.099 416 I HA -0.226 3.972 4.170 0.047 0.000 0.239 416 I C 2.780 178.801 176.117 -0.159 0.000 1.066 416 I CA 1.097 62.168 61.300 -0.382 0.000 1.324 416 I CB -0.769 37.027 38.000 -0.339 0.000 1.037 416 I HN 0.325 nan 8.210 nan 0.000 0.401 417 C N 0.984 120.199 119.300 -0.142 0.000 2.398 417 C HA -0.218 4.270 4.460 0.047 0.000 0.279 417 C C 3.146 178.105 174.990 -0.051 0.000 1.250 417 C CA 1.081 60.049 59.018 -0.083 0.000 1.786 417 C CB -1.449 26.240 27.740 -0.086 0.000 2.018 417 C HN 0.643 nan 8.230 nan 0.000 0.494 418 A N -0.112 122.673 122.820 -0.057 0.000 1.874 418 A HA 0.061 4.409 4.320 0.047 0.000 0.214 418 A C 2.110 179.700 177.584 0.011 0.000 1.189 418 A CA 1.060 53.087 52.037 -0.018 0.000 0.615 418 A CB -0.464 18.530 19.000 -0.010 0.000 0.830 418 A HN 0.551 nan 8.150 nan 0.000 0.443 419 L N -1.009 120.229 121.223 0.024 0.000 2.044 419 L HA -0.100 4.268 4.340 0.047 0.000 0.205 419 L C 1.757 178.675 176.870 0.080 0.000 1.075 419 L CA 0.649 55.540 54.840 0.085 0.000 0.747 419 L CB -0.539 41.643 42.059 0.206 0.000 0.903 419 L HN 0.463 nan 8.230 nan 0.000 0.435 420 C N 2.545 121.892 119.300 0.079 0.000 3.424 420 C HA 0.199 4.687 4.460 0.047 0.000 0.577 420 C C 0.366 175.376 174.990 0.034 0.000 1.086 420 C CA -0.360 58.697 59.018 0.065 0.000 1.153 420 C CB -2.441 25.345 27.740 0.076 0.000 1.411 420 C HN 0.353 nan 8.230 nan 0.000 0.636 421 N N 1.185 119.905 118.700 0.032 0.000 2.503 421 N HA 0.198 4.967 4.740 0.047 0.000 0.287 421 N C -0.455 175.072 175.510 0.028 0.000 1.096 421 N CA -0.209 52.855 53.050 0.023 0.000 0.936 421 N CB 1.330 39.827 38.487 0.016 0.000 1.570 421 N HN 0.375 nan 8.380 nan 0.000 0.504 422 D N 0.880 121.296 120.400 0.028 0.000 2.325 422 D HA 0.150 4.819 4.640 0.047 0.000 0.225 422 D C -0.406 175.910 176.300 0.027 0.000 1.096 422 D CA 0.407 54.425 54.000 0.031 0.000 0.844 422 D CB 0.564 41.387 40.800 0.038 0.000 0.925 422 D HN 0.264 nan 8.370 nan 0.000 0.513 423 S N -0.527 115.188 115.700 0.026 0.000 2.568 423 S HA 0.531 5.029 4.470 0.047 0.000 0.293 423 S C 0.170 174.790 174.600 0.032 0.000 1.089 423 S CA -0.725 57.491 58.200 0.026 0.000 0.945 423 S CB 2.471 65.686 63.200 0.026 0.000 1.077 423 S HN 0.186 nan 8.310 nan 0.000 0.485 424 S N 1.049 116.769 115.700 0.033 0.000 2.795 424 S HA 0.891 5.390 4.470 0.047 0.000 0.308 424 S C -1.275 173.357 174.600 0.054 0.000 1.098 424 S CA -0.709 57.516 58.200 0.042 0.000 0.934 424 S CB 0.892 64.116 63.200 0.039 0.000 1.300 424 S HN 0.502 nan 8.310 nan 0.000 0.566 425 L N 0.788 122.054 121.223 0.072 0.000 2.445 425 L HA 0.823 5.192 4.340 0.047 0.000 0.262 425 L C -1.957 174.995 176.870 0.138 0.000 0.974 425 L CA -0.187 54.716 54.840 0.106 0.000 0.822 425 L CB 1.944 44.075 42.059 0.120 0.000 1.339 425 L HN 1.041 nan 8.230 nan 0.000 0.409 426 D N 2.174 122.674 120.400 0.166 0.000 2.756 426 D HA 0.400 5.068 4.640 0.047 0.000 0.226 426 D C -1.807 174.629 176.300 0.226 0.000 1.186 426 D CA -0.248 53.855 54.000 0.172 0.000 0.845 426 D CB 1.560 42.406 40.800 0.077 0.000 1.610 426 D HN 0.312 nan 8.370 nan 0.000 0.465 427 F N 2.910 122.857 119.950 -0.005 0.000 2.408 427 F HA 0.409 4.965 4.527 0.047 0.000 0.344 427 F C 0.081 175.786 175.800 -0.158 0.000 1.112 427 F CA -0.876 56.987 58.000 -0.228 0.000 1.096 427 F CB 0.978 39.696 39.000 -0.470 0.000 1.129 427 F HN 0.258 nan 8.300 nan 0.000 0.486 428 N N 5.907 124.030 118.700 -0.961 0.000 2.448 428 N HA -0.009 4.760 4.740 0.047 0.000 0.250 428 N C 0.923 175.888 175.510 -0.908 0.000 1.136 428 N CA 0.175 52.801 53.050 -0.706 0.000 0.953 428 N CB 0.420 38.616 38.487 -0.485 0.000 1.251 428 N HN 0.718 nan 8.380 nan 0.000 0.502 429 E N 2.101 122.018 120.200 -0.472 0.000 2.048 429 E HA -0.186 4.193 4.350 0.047 0.000 0.202 429 E C 1.132 177.608 176.600 -0.207 0.000 1.021 429 E CA 1.621 57.885 56.400 -0.228 0.000 0.825 429 E CB -0.420 29.239 29.700 -0.068 0.000 0.756 429 E HN 0.628 nan 8.360 nan 0.000 0.454 430 T N 2.196 116.644 114.554 -0.178 0.000 2.428 430 T HA -0.234 4.145 4.350 0.047 0.000 0.248 430 T C 1.843 176.463 174.700 -0.134 0.000 1.284 430 T CA 2.291 64.315 62.100 -0.125 0.000 1.217 430 T CB -0.371 68.431 68.868 -0.111 0.000 0.864 430 T HN 0.037 nan 8.240 nan 0.000 0.402 431 K N 0.690 120.988 120.400 -0.169 0.000 1.970 431 K HA 0.163 4.512 4.320 0.047 0.000 0.225 431 K C 1.782 178.298 176.600 -0.140 0.000 1.045 431 K CA 1.669 57.874 56.287 -0.137 0.000 1.002 431 K CB -0.727 31.688 32.500 -0.142 0.000 0.743 431 K HN 0.660 nan 8.250 nan 0.000 0.445 432 G N -1.214 107.430 108.800 -0.260 0.000 3.136 432 G HA2 0.079 4.067 3.960 0.047 0.000 0.221 432 G HA3 0.079 4.067 3.960 0.047 0.000 0.221 432 G C -1.192 173.709 174.900 0.002 0.000 0.961 432 G CA -0.148 44.883 45.100 -0.115 0.000 0.983 432 G HN 0.273 nan 8.290 nan 0.000 0.648 433 V N 0.519 120.265 119.914 -0.279 0.000 2.925 433 V HA 0.794 4.942 4.120 0.047 0.000 0.311 433 V C -0.394 175.643 176.094 -0.095 0.000 1.104 433 V CA -1.359 60.977 62.300 0.060 0.000 0.954 433 V CB 1.532 33.421 31.823 0.109 0.000 1.022 433 V HN 0.248 nan 8.190 nan 0.000 0.427 434 Y N 3.065 123.517 120.300 0.253 0.000 2.385 434 Y HA 0.472 5.050 4.550 0.047 0.000 0.346 434 Y C 0.831 176.754 175.900 0.038 0.000 1.270 434 Y CA 0.099 58.323 58.100 0.207 0.000 1.472 434 Y CB 0.407 39.036 38.460 0.283 0.000 1.354 434 Y HN 0.579 nan 8.280 nan 0.000 0.611 435 E N 0.414 120.696 120.200 0.137 0.000 2.393 435 E HA 0.297 4.676 4.350 0.047 0.000 0.273 435 E C -1.228 175.303 176.600 -0.115 0.000 0.918 435 E CA -1.355 55.016 56.400 -0.048 0.000 0.773 435 E CB 2.244 31.894 29.700 -0.082 0.000 1.275 435 E HN 0.486 nan 8.360 nan 0.000 0.451 436 K N -0.358 119.847 120.400 -0.325 0.000 2.168 436 K HA 0.438 4.787 4.320 0.047 0.000 0.258 436 K C -0.380 176.142 176.600 -0.130 0.000 1.010 436 K CA -0.568 55.536 56.287 -0.305 0.000 0.929 436 K CB 0.695 32.884 32.500 -0.517 0.000 0.998 436 K HN 0.097 nan 8.250 nan 0.000 0.479 437 V N 1.584 121.458 119.914 -0.066 0.000 2.380 437 V HA 0.444 4.593 4.120 0.047 0.000 0.268 437 V C 0.279 176.363 176.094 -0.018 0.000 1.008 437 V CA 0.187 62.469 62.300 -0.030 0.000 0.823 437 V CB -0.111 31.712 31.823 -0.001 0.000 1.053 437 V HN 1.183 nan 8.190 nan 0.000 0.446 438 G N 3.611 112.395 108.800 -0.027 0.000 2.428 438 G HA2 -0.078 3.910 3.960 0.047 0.000 0.202 438 G HA3 -0.078 3.910 3.960 0.047 0.000 0.202 438 G C -0.374 174.519 174.900 -0.013 0.000 1.247 438 G CA -0.449 44.643 45.100 -0.012 0.000 1.020 438 G HN 0.712 nan 8.290 nan 0.000 0.529 439 E N 1.086 121.286 120.200 -0.001 0.000 2.694 439 E HA 0.428 4.806 4.350 0.047 0.000 0.250 439 E C 1.535 178.148 176.600 0.022 0.000 0.963 439 E CA 1.557 57.958 56.400 0.002 0.000 0.949 439 E CB 0.659 30.355 29.700 -0.007 0.000 0.911 439 E HN 1.441 nan 8.360 nan 0.000 0.500 440 A N 4.042 126.884 122.820 0.038 0.000 1.859 440 A HA -0.288 4.061 4.320 0.047 0.000 0.217 440 A C 2.082 179.750 177.584 0.140 0.000 1.198 440 A CA 2.506 54.615 52.037 0.120 0.000 0.629 440 A CB -1.263 17.831 19.000 0.157 0.000 0.830 440 A HN 0.786 nan 8.150 nan 0.000 0.446 441 T N 0.317 114.911 114.554 0.067 0.000 2.635 441 T HA -0.303 4.076 4.350 0.047 0.000 0.265 441 T C 1.651 176.368 174.700 0.028 0.000 1.058 441 T CA 2.089 64.205 62.100 0.028 0.000 1.162 441 T CB -0.621 68.234 68.868 -0.020 0.000 0.859 441 T HN 0.723 nan 8.240 nan 0.000 0.449 442 E N 0.541 120.756 120.200 0.024 0.000 2.047 442 E HA -0.085 4.293 4.350 0.047 0.000 0.191 442 E C 2.649 179.283 176.600 0.058 0.000 0.987 442 E CA 1.375 57.789 56.400 0.023 0.000 0.799 442 E CB -0.479 29.228 29.700 0.012 0.000 0.752 442 E HN 0.435 nan 8.360 nan 0.000 0.449 443 T N 1.383 115.998 114.554 0.101 0.000 2.624 443 T HA -0.263 4.116 4.350 0.047 0.000 0.268 443 T C 2.030 176.853 174.700 0.206 0.000 1.041 443 T CA 1.699 63.897 62.100 0.164 0.000 1.159 443 T CB -0.347 68.645 68.868 0.208 0.000 0.863 443 T HN 0.291 nan 8.240 nan 0.000 0.434 444 A N 0.474 123.418 122.820 0.207 0.000 2.015 444 A HA 0.047 4.395 4.320 0.047 0.000 0.219 444 A C 2.163 179.728 177.584 -0.030 0.000 1.163 444 A CA 0.958 52.992 52.037 -0.005 0.000 0.646 444 A CB -0.593 18.337 19.000 -0.117 0.000 0.806 444 A HN 0.381 nan 8.150 nan 0.000 0.448 445 L N -0.731 120.492 121.223 -0.000 0.000 2.217 445 L HA -0.028 4.340 4.340 0.047 0.000 0.211 445 L C 2.473 179.330 176.870 -0.022 0.000 1.107 445 L CA 2.186 57.013 54.840 -0.022 0.000 0.783 445 L CB -0.754 41.294 42.059 -0.017 0.000 0.919 445 L HN 0.342 nan 8.230 nan 0.000 0.442 446 T N -1.547 113.009 114.554 0.004 0.000 2.770 446 T HA -0.145 4.233 4.350 0.047 0.000 0.263 446 T C 1.761 176.453 174.700 -0.013 0.000 1.039 446 T CA 1.779 63.882 62.100 0.005 0.000 1.142 446 T CB -0.223 68.664 68.868 0.033 0.000 0.868 446 T HN 0.320 nan 8.240 nan 0.000 0.435 447 T N 2.825 117.371 114.554 -0.013 0.000 2.653 447 T HA -0.155 4.223 4.350 0.047 0.000 0.268 447 T C 1.906 176.562 174.700 -0.073 0.000 1.035 447 T CA 1.469 63.537 62.100 -0.053 0.000 1.154 447 T CB -0.619 68.202 68.868 -0.079 0.000 0.862 447 T HN 0.197 nan 8.240 nan 0.000 0.441 448 L N 1.832 123.010 121.223 -0.076 0.000 1.997 448 L HA -0.147 4.221 4.340 0.047 0.000 0.216 448 L C 2.406 179.229 176.870 -0.079 0.000 1.074 448 L CA 1.775 56.565 54.840 -0.083 0.000 0.763 448 L CB -0.992 41.019 42.059 -0.081 0.000 0.890 448 L HN 0.190 nan 8.230 nan 0.000 0.434 449 V N -0.290 119.584 119.914 -0.066 0.000 2.453 449 V HA -0.267 3.882 4.120 0.047 0.000 0.252 449 V C 2.566 178.632 176.094 -0.047 0.000 1.068 449 V CA 1.919 64.184 62.300 -0.058 0.000 1.070 449 V CB -1.068 30.734 31.823 -0.036 0.000 0.664 449 V HN 0.511 nan 8.190 nan 0.000 0.461 450 E N 0.692 120.863 120.200 -0.048 0.000 2.013 450 E HA -0.074 4.304 4.350 0.047 0.000 0.194 450 E C 2.172 178.736 176.600 -0.060 0.000 0.973 450 E CA 0.700 57.072 56.400 -0.046 0.000 0.842 450 E CB -0.522 29.143 29.700 -0.059 0.000 0.801 450 E HN 0.492 nan 8.360 nan 0.000 0.476 451 K N 0.259 120.614 120.400 -0.076 0.000 2.192 451 K HA -0.266 4.082 4.320 0.047 0.000 0.214 451 K C 2.224 178.780 176.600 -0.074 0.000 1.046 451 K CA 2.010 58.252 56.287 -0.076 0.000 0.937 451 K CB -0.324 32.126 32.500 -0.084 0.000 0.734 451 K HN 0.155 nan 8.250 nan 0.000 0.473 452 M N -0.320 119.229 119.600 -0.086 0.000 2.150 452 M HA -0.149 4.359 4.480 0.047 0.000 0.260 452 M C 0.744 176.989 176.300 -0.092 0.000 1.088 452 M CA 1.160 56.396 55.300 -0.107 0.000 1.108 452 M CB -0.234 32.285 32.600 -0.135 0.000 1.263 452 M HN 0.198 nan 8.290 nan 0.000 0.431 453 N N 0.162 118.816 118.700 -0.077 0.000 2.791 453 N HA -0.108 4.661 4.740 0.047 0.000 0.250 453 N C 0.100 175.556 175.510 -0.091 0.000 1.082 453 N CA 0.608 53.635 53.050 -0.039 0.000 0.680 453 N CB -1.240 37.236 38.487 -0.018 0.000 0.918 453 N HN 0.334 nan 8.380 nan 0.000 0.555 454 V N -2.444 117.344 119.914 -0.209 0.000 3.244 454 V HA -0.041 4.108 4.120 0.047 0.000 0.273 454 V C 1.410 177.141 176.094 -0.605 0.000 1.180 454 V CA 1.785 63.824 62.300 -0.435 0.000 1.182 454 V CB -1.307 30.142 31.823 -0.622 0.000 0.796 454 V HN 0.370 nan 8.190 nan 0.000 0.543 455 F N -0.141 119.779 119.950 -0.050 0.000 2.831 455 F HA 0.406 4.961 4.527 0.047 0.000 0.334 455 F C 1.404 177.181 175.800 -0.038 0.000 1.071 455 F CA 0.099 58.074 58.000 -0.042 0.000 1.172 455 F CB 0.269 39.247 39.000 -0.036 0.000 1.054 455 F HN 0.172 nan 8.300 nan 0.000 0.572 456 N N -0.262 118.502 118.700 0.108 0.000 2.965 456 N HA -0.169 4.600 4.740 0.047 0.000 0.232 456 N C 0.320 175.865 175.510 0.057 0.000 0.913 456 N CA 1.147 54.229 53.050 0.053 0.000 0.981 456 N CB -2.090 36.416 38.487 0.032 0.000 1.077 456 N HN 0.381 nan 8.380 nan 0.000 0.589 457 T N 0.321 114.928 114.554 0.088 0.000 2.666 457 T HA -0.042 4.337 4.350 0.047 0.000 0.265 457 T C 0.509 175.223 174.700 0.023 0.000 1.009 457 T CA 0.094 62.221 62.100 0.045 0.000 1.238 457 T CB 0.587 69.475 68.868 0.033 0.000 0.969 457 T HN 0.050 nan 8.240 nan 0.000 0.515 458 E N 1.830 122.038 120.200 0.012 0.000 3.048 458 E HA -0.072 4.306 4.350 0.047 0.000 0.280 458 E C 1.124 177.725 176.600 0.003 0.000 0.905 458 E CA 0.936 57.339 56.400 0.005 0.000 0.977 458 E CB 0.529 30.229 29.700 0.000 0.000 0.954 458 E HN 0.863 nan 8.360 nan 0.000 0.500 459 V N 1.437 121.351 119.914 -0.000 0.000 3.157 459 V HA 0.050 4.198 4.120 0.047 0.000 0.253 459 V C 1.876 177.966 176.094 -0.007 0.000 1.637 459 V CA 0.461 62.760 62.300 -0.002 0.000 1.058 459 V CB -0.215 31.607 31.823 -0.002 0.000 0.917 459 V HN 0.635 nan 8.190 nan 0.000 0.417 460 R N 1.726 122.221 120.500 -0.008 0.000 2.159 460 R HA -0.051 4.317 4.340 0.047 0.000 0.237 460 R C 1.577 177.870 176.300 -0.011 0.000 1.131 460 R CA 2.277 58.371 56.100 -0.010 0.000 0.982 460 R CB -1.000 29.294 30.300 -0.009 0.000 0.868 460 R HN 0.673 nan 8.270 nan 0.000 0.453 461 N N 0.351 119.046 118.700 -0.009 0.000 2.409 461 N HA 0.077 4.845 4.740 0.047 0.000 0.179 461 N C 0.283 175.786 175.510 -0.012 0.000 1.032 461 N CA -0.069 52.976 53.050 -0.009 0.000 0.898 461 N CB 0.104 38.587 38.487 -0.007 0.000 0.971 461 N HN 0.098 nan 8.380 nan 0.000 0.441 462 L N 0.547 121.763 121.223 -0.011 0.000 2.470 462 L HA 0.127 4.495 4.340 0.047 0.000 0.243 462 L C 0.801 177.656 176.870 -0.025 0.000 1.227 462 L CA -0.390 54.442 54.840 -0.013 0.000 0.824 462 L CB 0.443 42.499 42.059 -0.006 0.000 1.175 462 L HN 0.102 nan 8.230 nan 0.000 0.503 463 S N -1.128 114.554 115.700 -0.031 0.000 2.681 463 S HA 0.387 4.885 4.470 0.047 0.000 0.299 463 S C 0.394 174.934 174.600 -0.101 0.000 1.113 463 S CA -0.922 57.241 58.200 -0.063 0.000 1.013 463 S CB 2.189 65.360 63.200 -0.047 0.000 1.076 463 S HN 0.428 nan 8.310 nan 0.000 0.534 464 K N 0.868 121.125 120.400 -0.238 0.000 1.974 464 K HA -0.103 4.245 4.320 0.047 0.000 0.231 464 K C 1.606 178.069 176.600 -0.228 0.000 1.035 464 K CA 2.176 58.165 56.287 -0.498 0.000 1.044 464 K CB -1.423 30.264 32.500 -1.355 0.000 0.738 464 K HN 0.583 nan 8.250 nan 0.000 0.447 465 V N 1.052 120.900 119.914 -0.110 0.000 3.467 465 V HA -0.127 4.022 4.120 0.047 0.000 0.275 465 V C 1.768 177.903 176.094 0.068 0.000 1.230 465 V CA 1.579 63.938 62.300 0.099 0.000 1.196 465 V CB -0.968 30.953 31.823 0.163 0.000 0.884 465 V HN 0.391 nan 8.190 nan 0.000 0.548 466 E N 1.319 121.539 120.200 0.032 0.000 2.399 466 E HA -0.006 4.373 4.350 0.047 0.000 0.205 466 E C 2.217 178.843 176.600 0.043 0.000 0.906 466 E CA 0.147 56.566 56.400 0.032 0.000 0.998 466 E CB 0.289 29.995 29.700 0.009 0.000 1.002 466 E HN 0.716 nan 8.360 nan 0.000 0.501 467 R N -0.260 120.273 120.500 0.055 0.000 2.362 467 R HA 0.361 4.729 4.340 0.047 0.000 0.227 467 R C 1.574 177.929 176.300 0.091 0.000 0.905 467 R CA 0.674 56.808 56.100 0.057 0.000 1.067 467 R CB 0.127 30.449 30.300 0.036 0.000 1.078 467 R HN 0.001 nan 8.270 nan 0.000 0.516 468 A N 1.331 124.253 122.820 0.170 0.000 2.259 468 A HA -0.033 4.316 4.320 0.047 0.000 0.212 468 A C 0.547 178.199 177.584 0.113 0.000 1.178 468 A CA 0.751 52.914 52.037 0.210 0.000 0.734 468 A CB -0.299 18.916 19.000 0.358 0.000 0.774 468 A HN 0.520 nan 8.150 nan 0.000 0.481 469 N N -2.525 116.221 118.700 0.076 0.000 2.127 469 N HA 0.144 4.912 4.740 0.047 0.000 0.229 469 N C 1.092 176.624 175.510 0.036 0.000 1.374 469 N CA 0.637 53.718 53.050 0.052 0.000 0.763 469 N CB 0.019 38.539 38.487 0.055 0.000 1.269 469 N HN 0.263 nan 8.380 nan 0.000 0.516 470 A N 0.973 123.813 122.820 0.034 0.000 1.862 470 A HA -0.207 4.142 4.320 0.047 0.000 0.214 470 A C 2.310 179.908 177.584 0.023 0.000 1.228 470 A CA 1.986 54.037 52.037 0.023 0.000 0.665 470 A CB -1.137 17.875 19.000 0.019 0.000 0.845 470 A HN 0.398 nan 8.150 nan 0.000 0.459 471 C N -0.492 118.825 119.300 0.028 0.000 2.413 471 C HA -0.110 4.379 4.460 0.047 0.000 0.276 471 C C 2.686 177.707 174.990 0.052 0.000 1.248 471 C CA 0.862 59.911 59.018 0.051 0.000 1.742 471 C CB -1.888 25.884 27.740 0.053 0.000 2.017 471 C HN 0.668 nan 8.230 nan 0.000 0.481 472 N N 1.445 120.165 118.700 0.033 0.000 2.036 472 N HA -0.207 4.561 4.740 0.047 0.000 0.199 472 N C 2.019 177.547 175.510 0.031 0.000 1.036 472 N CA 2.580 55.647 53.050 0.029 0.000 0.870 472 N CB -0.385 38.116 38.487 0.024 0.000 1.055 472 N HN 0.706 nan 8.380 nan 0.000 0.436 473 S N 0.800 116.514 115.700 0.024 0.000 2.353 473 S HA -0.106 4.392 4.470 0.047 0.000 0.222 473 S C 2.258 176.859 174.600 0.001 0.000 1.035 473 S CA 1.671 59.880 58.200 0.015 0.000 1.025 473 S CB -1.017 62.191 63.200 0.012 0.000 0.902 473 S HN 0.120 nan 8.310 nan 0.000 0.440 474 V N 2.585 122.493 119.914 -0.009 0.000 2.428 474 V HA -0.216 3.932 4.120 0.047 0.000 0.255 474 V C 2.352 178.402 176.094 -0.073 0.000 1.080 474 V CA 2.052 64.316 62.300 -0.059 0.000 1.083 474 V CB -0.987 30.794 31.823 -0.070 0.000 0.665 474 V HN 0.571 nan 8.190 nan 0.000 0.461 475 I N -0.871 119.704 120.570 0.008 0.000 2.584 475 I HA -0.091 4.107 4.170 0.047 0.000 0.255 475 I C 2.592 178.728 176.117 0.031 0.000 1.145 475 I CA 0.902 62.230 61.300 0.047 0.000 1.462 475 I CB -0.432 37.627 38.000 0.099 0.000 1.102 475 I HN 0.235 nan 8.210 nan 0.000 0.433 476 R N 0.823 121.337 120.500 0.022 0.000 2.148 476 R HA -0.097 4.271 4.340 0.047 0.000 0.223 476 R C 1.988 178.294 176.300 0.011 0.000 1.088 476 R CA 0.852 56.968 56.100 0.027 0.000 0.985 476 R CB -0.229 30.085 30.300 0.024 0.000 0.880 476 R HN 0.509 nan 8.270 nan 0.000 0.451 477 Q N 0.164 119.957 119.800 -0.013 0.000 2.369 477 Q HA -0.044 4.324 4.340 0.047 0.000 0.206 477 Q C 1.278 177.259 176.000 -0.033 0.000 0.963 477 Q CA 0.697 56.484 55.803 -0.027 0.000 0.894 477 Q CB 0.203 28.913 28.738 -0.048 0.000 0.965 477 Q HN 0.155 nan 8.270 nan 0.000 0.475 478 L N -0.693 120.510 121.223 -0.034 0.000 2.529 478 L HA 0.129 4.497 4.340 0.047 0.000 0.223 478 L C 0.138 177.022 176.870 0.023 0.000 1.113 478 L CA 0.859 55.683 54.840 -0.027 0.000 0.861 478 L CB 0.451 42.480 42.059 -0.049 0.000 1.012 478 L HN 0.127 nan 8.230 nan 0.000 0.461 479 M N -0.420 119.203 119.600 0.039 0.000 2.378 479 M HA 0.276 4.785 4.480 0.047 0.000 0.289 479 M C -0.664 175.658 176.300 0.037 0.000 1.136 479 M CA -0.498 54.836 55.300 0.057 0.000 0.917 479 M CB 2.370 35.045 32.600 0.126 0.000 1.669 479 M HN -0.163 nan 8.290 nan 0.000 0.461 480 K N 2.442 122.856 120.400 0.023 0.000 2.227 480 K HA 0.257 4.605 4.320 0.047 0.000 0.280 480 K C -0.414 176.196 176.600 0.018 0.000 1.041 480 K CA -0.203 56.099 56.287 0.024 0.000 0.905 480 K CB 1.018 33.535 32.500 0.029 0.000 1.068 480 K HN 0.610 nan 8.250 nan 0.000 0.470 481 K N 5.324 125.738 120.400 0.024 0.000 2.296 481 K HA 0.046 4.394 4.320 0.047 0.000 0.257 481 K C 0.356 176.977 176.600 0.034 0.000 1.088 481 K CA -0.368 55.925 56.287 0.011 0.000 0.980 481 K CB 0.670 33.182 32.500 0.021 0.000 1.430 481 K HN 0.632 nan 8.250 nan 0.000 0.441 482 E N 2.415 122.646 120.200 0.053 0.000 1.996 482 E HA -0.106 4.273 4.350 0.047 0.000 0.197 482 E C 0.388 177.117 176.600 0.215 0.000 1.002 482 E CA 1.462 57.954 56.400 0.153 0.000 0.840 482 E CB -0.066 29.793 29.700 0.266 0.000 0.786 482 E HN 0.496 nan 8.360 nan 0.000 0.469 483 F N -1.514 118.431 119.950 -0.009 0.000 2.620 483 F HA 0.550 5.105 4.527 0.047 0.000 0.320 483 F C -0.379 175.407 175.800 -0.024 0.000 1.069 483 F CA -1.292 56.687 58.000 -0.036 0.000 0.953 483 F CB 1.562 40.503 39.000 -0.098 0.000 1.322 483 F HN -0.243 nan 8.300 nan 0.000 0.479 484 T N 2.905 117.506 114.554 0.078 0.000 2.892 484 T HA 0.461 4.839 4.350 0.047 0.000 0.311 484 T C -0.808 173.898 174.700 0.010 0.000 1.033 484 T CA -0.660 61.427 62.100 -0.021 0.000 0.991 484 T CB 0.040 68.918 68.868 0.017 0.000 0.981 484 T HN 0.787 nan 8.240 nan 0.000 0.457 485 L N 4.761 125.906 121.223 -0.129 0.000 2.704 485 L HA 0.192 4.560 4.340 0.047 0.000 0.279 485 L C 0.754 177.616 176.870 -0.013 0.000 1.147 485 L CA -0.568 54.065 54.840 -0.344 0.000 0.994 485 L CB -0.819 40.752 42.059 -0.814 0.000 1.332 485 L HN 0.697 nan 8.230 nan 0.000 0.471 486 E N 1.757 122.059 120.200 0.171 0.000 2.516 486 E HA -0.095 4.284 4.350 0.047 0.000 0.270 486 E C -0.184 176.606 176.600 0.316 0.000 1.130 486 E CA 0.022 56.577 56.400 0.259 0.000 1.023 486 E CB 0.219 30.097 29.700 0.297 0.000 1.004 486 E HN 0.306 nan 8.360 nan 0.000 0.463 487 F N 0.719 120.758 119.950 0.149 0.000 2.435 487 F HA 0.356 4.911 4.527 0.047 0.000 0.316 487 F C 0.086 175.973 175.800 0.146 0.000 1.220 487 F CA 0.245 58.324 58.000 0.133 0.000 1.241 487 F CB 0.590 39.647 39.000 0.094 0.000 1.234 487 F HN 0.489 nan 8.300 nan 0.000 0.569 488 S N 1.775 116.844 115.700 -1.052 0.000 2.604 488 S HA 0.310 4.809 4.470 0.047 0.000 0.296 488 S C -0.324 173.752 174.600 -0.874 0.000 1.097 488 S CA -1.140 56.671 58.200 -0.649 0.000 0.883 488 S CB 1.420 64.472 63.200 -0.248 0.000 1.081 488 S HN 0.648 nan 8.310 nan 0.000 0.448 489 R N 1.151 121.380 120.500 -0.451 0.000 2.316 489 R HA 0.026 4.395 4.340 0.047 0.000 0.202 489 R C 1.276 177.475 176.300 -0.168 0.000 1.029 489 R CA 1.379 57.330 56.100 -0.247 0.000 1.018 489 R CB -0.522 29.744 30.300 -0.057 0.000 0.888 489 R HN 0.876 nan 8.270 nan 0.000 0.471 490 D N 0.208 120.501 120.400 -0.179 0.000 2.310 490 D HA -0.181 4.488 4.640 0.047 0.000 0.212 490 D C 1.326 177.571 176.300 -0.091 0.000 0.965 490 D CA 0.810 54.743 54.000 -0.112 0.000 0.879 490 D CB 0.124 40.859 40.800 -0.108 0.000 0.921 490 D HN 0.358 nan 8.370 nan 0.000 0.510 491 R N -1.868 118.557 120.500 -0.126 0.000 2.551 491 R HA 0.226 4.594 4.340 0.047 0.000 0.316 491 R C -0.272 176.014 176.300 -0.024 0.000 0.934 491 R CA -0.664 55.402 56.100 -0.055 0.000 1.117 491 R CB -0.014 30.273 30.300 -0.021 0.000 1.626 491 R HN -0.253 nan 8.270 nan 0.000 0.513 492 K N 1.996 122.335 120.400 -0.101 0.000 3.730 492 K HA -0.186 4.162 4.320 0.047 0.000 0.276 492 K C -1.041 175.753 176.600 0.323 0.000 0.904 492 K CA 1.238 57.617 56.287 0.153 0.000 0.741 492 K CB -1.473 31.143 32.500 0.193 0.000 1.542 492 K HN 0.789 nan 8.250 nan 0.000 0.446 493 S N -1.319 114.600 115.700 0.366 0.000 2.694 493 S HA 0.810 5.308 4.470 0.047 0.000 0.273 493 S C -1.122 173.723 174.600 0.409 0.000 1.180 493 S CA -0.813 57.594 58.200 0.345 0.000 0.864 493 S CB 1.982 65.289 63.200 0.179 0.000 1.198 493 S HN 0.517 nan 8.310 nan 0.000 0.499 494 M N 2.176 121.931 119.600 0.258 0.000 2.363 494 M HA 0.344 4.852 4.480 0.047 0.000 0.256 494 M C -1.558 174.810 176.300 0.114 0.000 1.005 494 M CA -0.115 55.317 55.300 0.220 0.000 0.890 494 M CB 1.221 33.986 32.600 0.276 0.000 2.101 494 M HN 1.215 nan 8.290 nan 0.000 0.476 495 S N 3.319 119.049 115.700 0.050 0.000 2.748 495 S HA 0.928 5.427 4.470 0.047 0.000 0.299 495 S C -0.464 174.097 174.600 -0.065 0.000 1.119 495 S CA -0.651 57.544 58.200 -0.008 0.000 0.997 495 S CB 2.310 65.485 63.200 -0.041 0.000 1.223 495 S HN 1.283 nan 8.310 nan 0.000 0.541 496 V N 0.668 120.494 119.914 -0.147 0.000 2.812 496 V HA 0.310 4.459 4.120 0.047 0.000 0.280 496 V C -1.923 173.956 176.094 -0.359 0.000 1.324 496 V CA -0.677 61.497 62.300 -0.209 0.000 0.933 496 V CB 0.810 32.592 31.823 -0.069 0.000 1.091 496 V HN 0.922 nan 8.190 nan 0.000 0.455 497 Y N 5.449 125.271 120.300 -0.797 0.000 2.480 497 Y HA 0.516 5.095 4.550 0.047 0.000 0.338 497 Y C 0.440 176.029 175.900 -0.519 0.000 1.220 497 Y CA 1.012 58.621 58.100 -0.818 0.000 1.430 497 Y CB 0.909 38.502 38.460 -1.445 0.000 1.311 497 Y HN 0.823 nan 8.280 nan 0.000 0.575 498 C N 3.387 122.378 119.300 -0.514 0.000 2.701 498 C HA 0.497 4.985 4.460 0.047 0.000 0.336 498 C C -0.739 174.104 174.990 -0.246 0.000 1.123 498 C CA -1.009 57.818 59.018 -0.319 0.000 1.326 498 C CB 1.082 28.573 27.740 -0.416 0.000 1.833 498 C HN 0.818 nan 8.230 nan 0.000 0.473 499 S N 3.751 119.412 115.700 -0.065 0.000 2.532 499 S HA 0.690 5.188 4.470 0.047 0.000 0.301 499 S C -2.683 171.911 174.600 -0.010 0.000 1.083 499 S CA -0.705 57.484 58.200 -0.019 0.000 1.025 499 S CB 1.938 65.170 63.200 0.053 0.000 1.056 499 S HN 0.681 nan 8.310 nan 0.000 0.494 500 P HA 0.237 nan 4.420 nan 0.000 0.276 500 P C -0.787 176.520 177.300 0.012 0.000 1.235 500 P CA -0.233 62.873 63.100 0.010 0.000 0.772 500 P CB 0.512 32.218 31.700 0.010 0.000 0.871 501 A N 4.731 127.557 122.820 0.010 0.000 2.466 501 A HA 0.062 4.410 4.320 0.047 0.000 0.238 501 A C 0.641 178.227 177.584 0.003 0.000 1.074 501 A CA -0.210 51.831 52.037 0.006 0.000 0.774 501 A CB -0.229 18.770 19.000 -0.001 0.000 1.015 501 A HN 0.471 nan 8.150 nan 0.000 0.498 502 K N 1.655 122.057 120.400 0.003 0.000 2.243 502 K HA 0.117 4.465 4.320 0.047 0.000 0.232 502 K C 0.211 176.809 176.600 -0.003 0.000 1.237 502 K CA 0.681 56.969 56.287 0.002 0.000 1.161 502 K CB -0.264 32.239 32.500 0.004 0.000 1.505 502 K HN 0.697 nan 8.250 nan 0.000 0.271 503 S N -1.018 114.679 115.700 -0.005 0.000 3.053 503 S HA -0.028 4.471 4.470 0.047 0.000 0.255 503 S C 0.004 174.599 174.600 -0.008 0.000 0.976 503 S CA -0.260 57.934 58.200 -0.010 0.000 1.159 503 S CB 0.043 63.231 63.200 -0.020 0.000 1.110 503 S HN 0.424 nan 8.310 nan 0.000 0.633 504 S N 1.465 117.163 115.700 -0.002 0.000 3.386 504 S HA -0.182 4.316 4.470 0.047 0.000 0.403 504 S C -0.466 174.135 174.600 0.002 0.000 0.893 504 S CA 0.068 58.268 58.200 0.001 0.000 1.336 504 S CB -1.498 61.702 63.200 0.000 0.000 0.925 504 S HN 0.648 nan 8.310 nan 0.000 0.589 505 R N 1.257 121.760 120.500 0.006 0.000 2.576 505 R HA 0.666 5.035 4.340 0.047 0.000 0.283 505 R C 0.710 177.024 176.300 0.024 0.000 1.493 505 R CA -0.069 56.038 56.100 0.012 0.000 1.170 505 R CB 0.461 30.764 30.300 0.004 0.000 1.189 505 R HN 1.814 nan 8.270 nan 0.000 0.542 506 A N 1.543 124.378 122.820 0.024 0.000 2.519 506 A HA -0.234 4.114 4.320 0.047 0.000 0.297 506 A C 0.815 178.413 177.584 0.023 0.000 1.472 506 A CA 0.931 52.984 52.037 0.027 0.000 0.739 506 A CB -1.406 17.618 19.000 0.040 0.000 1.096 506 A HN 0.781 nan 8.150 nan 0.000 0.414 507 A N 0.443 123.272 122.820 0.016 0.000 3.004 507 A HA 0.443 4.792 4.320 0.047 0.000 0.252 507 A C 1.471 179.060 177.584 0.009 0.000 1.802 507 A CA 0.592 52.636 52.037 0.012 0.000 1.424 507 A CB -0.717 18.289 19.000 0.010 0.000 1.005 507 A HN 1.514 nan 8.150 nan 0.000 0.631 508 V N -0.100 119.820 119.914 0.010 0.000 2.867 508 V HA 0.165 4.313 4.120 0.047 0.000 0.260 508 V C 1.690 177.783 176.094 -0.002 0.000 1.099 508 V CA 1.399 63.703 62.300 0.006 0.000 1.122 508 V CB -1.794 30.034 31.823 0.009 0.000 0.708 508 V HN 1.198 nan 8.190 nan 0.000 0.490 509 G N -0.515 108.280 108.800 -0.009 0.000 2.236 509 G HA2 -0.101 3.887 3.960 0.047 0.000 0.231 509 G HA3 -0.101 3.887 3.960 0.047 0.000 0.231 509 G C -0.951 173.916 174.900 -0.054 0.000 1.334 509 G CA -0.391 44.700 45.100 -0.016 0.000 1.137 509 G HN 0.179 nan 8.290 nan 0.000 0.482 510 N N 1.163 119.812 118.700 -0.084 0.000 2.493 510 N HA 0.630 5.398 4.740 0.047 0.000 0.275 510 N C -0.504 174.798 175.510 -0.347 0.000 1.186 510 N CA 0.048 52.969 53.050 -0.215 0.000 0.978 510 N CB 1.235 39.603 38.487 -0.197 0.000 1.184 510 N HN 0.463 nan 8.380 nan 0.000 0.487 511 K N 1.085 121.130 120.400 -0.591 0.000 2.502 511 K HA 0.421 4.769 4.320 0.047 0.000 0.257 511 K C -0.855 175.169 176.600 -0.960 0.000 0.938 511 K CA -0.372 55.508 56.287 -0.677 0.000 0.819 511 K CB 2.289 34.379 32.500 -0.684 0.000 1.333 511 K HN 0.490 nan 8.250 nan 0.000 0.434 512 M N 2.654 121.830 119.600 -0.707 0.000 2.046 512 M HA 0.359 4.868 4.480 0.047 0.000 0.309 512 M C -1.207 174.918 176.300 -0.293 0.000 0.935 512 M CA -0.734 54.237 55.300 -0.548 0.000 0.915 512 M CB 0.633 33.051 32.600 -0.303 0.000 1.474 512 M HN 0.306 nan 8.290 nan 0.000 0.415 513 F N 3.582 123.447 119.950 -0.142 0.000 2.375 513 F HA 0.386 4.941 4.527 0.047 0.000 0.362 513 F C 0.175 175.934 175.800 -0.068 0.000 1.129 513 F CA -0.879 57.063 58.000 -0.096 0.000 1.154 513 F CB 0.073 39.019 39.000 -0.091 0.000 1.205 513 F HN 0.125 nan 8.300 nan 0.000 0.513 514 V N 3.638 123.637 119.914 0.142 0.000 2.716 514 V HA 0.644 4.792 4.120 0.047 0.000 0.304 514 V C -0.317 175.820 176.094 0.071 0.000 1.053 514 V CA -1.008 61.346 62.300 0.089 0.000 0.984 514 V CB 1.913 33.784 31.823 0.080 0.000 1.021 514 V HN 0.736 nan 8.190 nan 0.000 0.467 515 K N 1.700 122.146 120.400 0.078 0.000 2.587 515 K HA 0.719 5.067 4.320 0.047 0.000 0.256 515 K C -0.754 175.906 176.600 0.099 0.000 0.974 515 K CA -0.208 56.115 56.287 0.060 0.000 0.855 515 K CB 1.686 34.203 32.500 0.029 0.000 1.292 515 K HN 1.067 nan 8.250 nan 0.000 0.444 516 G N 1.158 110.020 108.800 0.104 0.000 2.489 516 G HA2 0.606 4.594 3.960 0.047 0.000 0.305 516 G HA3 0.606 4.594 3.960 0.047 0.000 0.305 516 G C -1.314 173.662 174.900 0.128 0.000 1.311 516 G CA -0.585 44.606 45.100 0.153 0.000 0.813 516 G HN 0.790 nan 8.290 nan 0.000 0.480 517 A N 0.542 123.456 122.820 0.156 0.000 2.540 517 A HA 0.523 4.871 4.320 0.047 0.000 0.239 517 A C -0.747 176.902 177.584 0.109 0.000 1.061 517 A CA 0.251 52.362 52.037 0.123 0.000 0.758 517 A CB -0.075 19.008 19.000 0.138 0.000 0.991 517 A HN 0.362 nan 8.150 nan 0.000 0.502 518 P HA -0.308 nan 4.420 nan 0.000 0.212 518 P C 1.434 178.775 177.300 0.068 0.000 1.174 518 P CA 2.001 65.153 63.100 0.088 0.000 0.934 518 P CB -0.074 31.671 31.700 0.075 0.000 0.791 519 E N -0.400 119.831 120.200 0.052 0.000 2.144 519 E HA -0.317 4.062 4.350 0.047 0.000 0.243 519 E C 2.135 178.760 176.600 0.040 0.000 1.043 519 E CA 2.244 58.665 56.400 0.035 0.000 0.952 519 E CB -2.078 27.644 29.700 0.037 0.000 0.849 519 E HN 0.267 nan 8.360 nan 0.000 0.522 520 G N 1.764 110.595 108.800 0.052 0.000 2.812 520 G HA2 -0.355 3.634 3.960 0.047 0.000 0.218 520 G HA3 -0.355 3.634 3.960 0.047 0.000 0.218 520 G C 1.888 176.822 174.900 0.058 0.000 1.287 520 G CA 2.654 47.785 45.100 0.052 0.000 0.796 520 G HN 0.253 nan 8.290 nan 0.000 0.649 521 V N 1.497 121.460 119.914 0.082 0.000 2.225 521 V HA -0.326 3.822 4.120 0.047 0.000 0.252 521 V C 2.848 178.997 176.094 0.091 0.000 1.055 521 V CA 2.452 64.809 62.300 0.095 0.000 1.032 521 V CB -0.764 31.130 31.823 0.119 0.000 0.655 521 V HN 0.498 nan 8.190 nan 0.000 0.458 522 I N -0.045 120.584 120.570 0.100 0.000 2.290 522 I HA -0.314 3.884 4.170 0.047 0.000 0.253 522 I C 2.214 178.335 176.117 0.007 0.000 1.112 522 I CA 1.966 63.300 61.300 0.057 0.000 1.377 522 I CB -0.483 37.510 38.000 -0.012 0.000 1.060 522 I HN 0.438 nan 8.210 nan 0.000 0.428 523 D N 0.362 120.768 120.400 0.010 0.000 2.323 523 D HA -0.042 4.626 4.640 0.047 0.000 0.209 523 D C 2.097 178.392 176.300 -0.009 0.000 0.973 523 D CA 0.572 54.567 54.000 -0.009 0.000 0.874 523 D CB 0.198 40.995 40.800 -0.005 0.000 0.930 523 D HN 0.352 nan 8.370 nan 0.000 0.521 524 R N -0.418 120.087 120.500 0.009 0.000 2.280 524 R HA 0.112 4.480 4.340 0.047 0.000 0.195 524 R C 0.580 176.871 176.300 -0.014 0.000 0.935 524 R CA -0.014 56.086 56.100 0.001 0.000 1.033 524 R CB 0.313 30.626 30.300 0.023 0.000 0.964 524 R HN 0.108 nan 8.270 nan 0.000 0.489 525 C N 2.098 121.402 119.300 0.006 0.000 2.482 525 C HA 0.222 4.710 4.460 0.047 0.000 0.378 525 C C 1.469 176.412 174.990 -0.078 0.000 1.284 525 C CA -0.873 58.147 59.018 0.004 0.000 1.826 525 C CB 0.057 27.865 27.740 0.114 0.000 2.473 525 C HN 0.435 nan 8.230 nan 0.000 0.562 526 N N 0.777 119.339 118.700 -0.230 0.000 2.409 526 N HA 0.040 4.808 4.740 0.047 0.000 0.174 526 N C -0.364 174.965 175.510 -0.302 0.000 1.037 526 N CA 0.952 53.774 53.050 -0.379 0.000 0.898 526 N CB 0.231 38.295 38.487 -0.705 0.000 1.010 526 N HN 0.682 nan 8.380 nan 0.000 0.445 527 Y N -0.407 119.928 120.300 0.058 0.000 2.524 527 Y HA 0.546 5.124 4.550 0.047 0.000 0.344 527 Y C 0.086 176.048 175.900 0.103 0.000 1.012 527 Y CA -1.085 57.053 58.100 0.064 0.000 1.068 527 Y CB 1.234 39.726 38.460 0.054 0.000 1.249 527 Y HN -0.415 nan 8.280 nan 0.000 0.468 528 V N 2.672 122.754 119.914 0.281 0.000 2.495 528 V HA 0.482 4.631 4.120 0.047 0.000 0.298 528 V C -0.424 175.788 176.094 0.195 0.000 1.031 528 V CA -1.038 61.418 62.300 0.260 0.000 0.871 528 V CB 1.719 33.673 31.823 0.218 0.000 0.988 528 V HN 0.730 nan 8.190 nan 0.000 0.432 529 R N 4.120 124.720 120.500 0.167 0.000 2.254 529 R HA 0.628 4.996 4.340 0.047 0.000 0.318 529 R C -1.460 174.894 176.300 0.090 0.000 1.031 529 R CA -0.245 55.911 56.100 0.094 0.000 0.905 529 R CB 1.324 31.648 30.300 0.041 0.000 1.050 529 R HN 0.491 nan 8.270 nan 0.000 0.456 530 V N 6.363 126.322 119.914 0.075 0.000 2.349 530 V HA 0.390 4.538 4.120 0.047 0.000 0.284 530 V C 1.092 177.224 176.094 0.062 0.000 1.014 530 V CA 0.357 62.703 62.300 0.078 0.000 0.826 530 V CB 0.639 32.509 31.823 0.078 0.000 1.009 530 V HN 1.161 nan 8.190 nan 0.000 0.431 531 G N 5.643 114.483 108.800 0.066 0.000 4.230 531 G HA2 -0.374 3.614 3.960 0.047 0.000 0.340 531 G HA3 -0.374 3.614 3.960 0.047 0.000 0.340 531 G C 0.923 175.844 174.900 0.036 0.000 1.315 531 G CA 1.329 46.467 45.100 0.063 0.000 1.033 531 G HN 0.625 nan 8.290 nan 0.000 0.741 532 T N 1.021 115.594 114.554 0.032 0.000 3.075 532 T HA 0.286 4.665 4.350 0.047 0.000 0.251 532 T C 1.550 176.261 174.700 0.017 0.000 0.979 532 T CA 1.648 63.760 62.100 0.020 0.000 1.033 532 T CB -0.296 68.583 68.868 0.018 0.000 1.104 532 T HN 1.314 nan 8.240 nan 0.000 0.473 533 T N 1.628 116.194 114.554 0.019 0.000 2.649 533 T HA 0.208 4.586 4.350 0.047 0.000 0.337 533 T C 0.107 174.813 174.700 0.010 0.000 1.070 533 T CA -0.310 61.796 62.100 0.010 0.000 1.052 533 T CB 0.750 69.627 68.868 0.015 0.000 0.994 533 T HN 0.345 nan 8.240 nan 0.000 0.544 534 R N -0.556 119.936 120.500 -0.012 0.000 2.725 534 R HA 0.641 5.010 4.340 0.047 0.000 0.277 534 R C -1.715 174.571 176.300 -0.024 0.000 0.987 534 R CA -0.883 55.205 56.100 -0.019 0.000 0.901 534 R CB 2.169 32.408 30.300 -0.101 0.000 1.207 534 R HN 0.864 nan 8.270 nan 0.000 0.463 535 V N -0.246 119.686 119.914 0.029 0.000 3.048 535 V HA 0.615 4.763 4.120 0.047 0.000 0.303 535 V C -2.769 173.405 176.094 0.133 0.000 1.214 535 V CA -2.193 60.135 62.300 0.046 0.000 0.984 535 V CB 1.901 33.756 31.823 0.052 0.000 1.054 535 V HN 0.755 nan 8.190 nan 0.000 0.430 536 P HA 0.082 nan 4.420 nan 0.000 0.262 536 P C -0.338 177.046 177.300 0.140 0.000 1.182 536 P CA 0.064 63.294 63.100 0.216 0.000 0.761 536 P CB 0.595 32.379 31.700 0.139 0.000 0.795 537 M N 4.893 124.573 119.600 0.133 0.000 2.435 537 M HA 0.121 4.630 4.480 0.047 0.000 0.338 537 M C -0.001 176.306 176.300 0.011 0.000 1.628 537 M CA 0.464 55.796 55.300 0.054 0.000 1.215 537 M CB -0.779 31.832 32.600 0.020 0.000 1.905 537 M HN 0.402 nan 8.290 nan 0.000 0.457 538 T N 1.696 116.247 114.554 -0.006 0.000 2.944 538 T HA 0.685 5.063 4.350 0.047 0.000 0.284 538 T C 1.177 175.843 174.700 -0.057 0.000 1.010 538 T CA -0.485 61.596 62.100 -0.031 0.000 1.025 538 T CB 1.385 70.229 68.868 -0.039 0.000 1.079 538 T HN 0.697 nan 8.240 nan 0.000 0.516 539 G N 1.291 110.051 108.800 -0.066 0.000 2.491 539 G HA2 -0.115 3.874 3.960 0.047 0.000 0.218 539 G HA3 -0.115 3.874 3.960 0.047 0.000 0.218 539 G C -0.902 173.942 174.900 -0.094 0.000 1.180 539 G CA 0.842 45.896 45.100 -0.077 0.000 0.774 539 G HN 0.664 nan 8.290 nan 0.000 0.562 540 P HA -0.078 nan 4.420 nan 0.000 0.216 540 P C 2.089 179.331 177.300 -0.097 0.000 1.150 540 P CA 1.017 64.034 63.100 -0.138 0.000 0.843 540 P CB -0.082 31.486 31.700 -0.220 0.000 0.787 541 V N 0.159 120.023 119.914 -0.084 0.000 2.307 541 V HA -0.224 3.924 4.120 0.047 0.000 0.245 541 V C 2.449 178.470 176.094 -0.122 0.000 1.045 541 V CA 1.933 64.188 62.300 -0.075 0.000 1.024 541 V CB -1.041 30.753 31.823 -0.047 0.000 0.651 541 V HN 0.140 nan 8.190 nan 0.000 0.449 542 K N -0.156 120.167 120.400 -0.127 0.000 2.211 542 K HA -0.166 4.182 4.320 0.047 0.000 0.203 542 K C 2.031 178.551 176.600 -0.132 0.000 1.050 542 K CA 1.159 57.352 56.287 -0.156 0.000 0.945 542 K CB -0.024 32.403 32.500 -0.122 0.000 0.732 542 K HN 0.401 nan 8.250 nan 0.000 0.451 543 E N 0.893 121.030 120.200 -0.106 0.000 2.047 543 E HA -0.163 4.215 4.350 0.047 0.000 0.191 543 E C 1.854 178.394 176.600 -0.101 0.000 0.987 543 E CA 0.858 57.203 56.400 -0.091 0.000 0.799 543 E CB -0.034 29.621 29.700 -0.075 0.000 0.752 543 E HN 0.155 nan 8.360 nan 0.000 0.449 544 K N 1.073 121.412 120.400 -0.102 0.000 2.025 544 K HA -0.042 4.307 4.320 0.047 0.000 0.207 544 K C 2.300 178.788 176.600 -0.186 0.000 1.049 544 K CA 0.639 56.853 56.287 -0.122 0.000 0.933 544 K CB -0.622 31.823 32.500 -0.090 0.000 0.714 544 K HN 0.115 nan 8.250 nan 0.000 0.438 545 I N 0.989 121.458 120.570 -0.168 0.000 2.052 545 I HA -0.352 3.847 4.170 0.047 0.000 0.235 545 I C 2.354 178.384 176.117 -0.145 0.000 1.046 545 I CA 1.328 62.541 61.300 -0.144 0.000 1.308 545 I CB -0.432 37.389 38.000 -0.298 0.000 1.031 545 I HN 0.050 nan 8.210 nan 0.000 0.395 546 L N 0.593 121.731 121.223 -0.143 0.000 2.043 546 L HA -0.266 4.102 4.340 0.047 0.000 0.212 546 L C 2.860 179.650 176.870 -0.135 0.000 1.075 546 L CA 1.830 56.603 54.840 -0.112 0.000 0.752 546 L CB -0.868 41.137 42.059 -0.091 0.000 0.891 546 L HN 0.456 nan 8.230 nan 0.000 0.432 547 S N -0.336 115.273 115.700 -0.152 0.000 2.365 547 S HA -0.188 4.310 4.470 0.047 0.000 0.225 547 S C 1.906 176.371 174.600 -0.225 0.000 1.039 547 S CA 1.652 59.760 58.200 -0.154 0.000 1.033 547 S CB -0.973 62.143 63.200 -0.140 0.000 0.887 547 S HN 0.195 nan 8.310 nan 0.000 0.447 548 V N 2.494 122.188 119.914 -0.367 0.000 2.307 548 V HA -0.107 4.041 4.120 0.047 0.000 0.245 548 V C 2.536 178.228 176.094 -0.669 0.000 1.045 548 V CA 1.858 63.785 62.300 -0.621 0.000 1.024 548 V CB -0.961 30.230 31.823 -1.054 0.000 0.651 548 V HN 0.510 nan 8.190 nan 0.000 0.449 549 I N 0.085 120.392 120.570 -0.438 0.000 2.194 549 I HA -0.314 3.885 4.170 0.047 0.000 0.246 549 I C 2.602 178.657 176.117 -0.102 0.000 1.093 549 I CA 1.976 63.145 61.300 -0.217 0.000 1.355 549 I CB -0.520 37.448 38.000 -0.053 0.000 1.046 549 I HN 0.282 nan 8.210 nan 0.000 0.413 550 K N 1.026 121.362 120.400 -0.106 0.000 2.097 550 K HA -0.240 4.109 4.320 0.047 0.000 0.205 550 K C 2.083 178.677 176.600 -0.011 0.000 1.050 550 K CA 1.628 57.891 56.287 -0.040 0.000 0.938 550 K CB -0.001 32.470 32.500 -0.048 0.000 0.718 550 K HN 0.293 nan 8.250 nan 0.000 0.442 551 E N -0.416 119.750 120.200 -0.058 0.000 2.031 551 E HA -0.183 4.196 4.350 0.047 0.000 0.193 551 E C 1.580 178.308 176.600 0.213 0.000 0.994 551 E CA 1.446 57.868 56.400 0.038 0.000 0.800 551 E CB -0.054 29.648 29.700 0.003 0.000 0.752 551 E HN 0.378 nan 8.360 nan 0.000 0.447 552 W N -0.030 121.275 121.300 0.010 0.000 2.465 552 W HA 0.116 4.805 4.660 0.047 0.000 0.268 552 W C 2.104 178.637 176.519 0.024 0.000 1.242 552 W CA 0.873 58.231 57.345 0.023 0.000 1.248 552 W CB -1.134 28.358 29.460 0.053 0.000 1.118 552 W HN 0.221 nan 8.180 nan 0.000 0.587 553 G N -0.120 108.821 108.800 0.236 0.000 2.396 553 G HA2 -0.153 3.835 3.960 0.047 0.000 0.214 553 G HA3 -0.153 3.835 3.960 0.047 0.000 0.214 553 G C 1.357 176.317 174.900 0.100 0.000 1.166 553 G CA 1.649 46.836 45.100 0.145 0.000 0.793 553 G HN 0.279 nan 8.290 nan 0.000 0.533 554 T N -1.165 113.443 114.554 0.090 0.000 3.040 554 T HA 0.392 4.770 4.350 0.047 0.000 0.250 554 T C 1.424 176.163 174.700 0.064 0.000 1.058 554 T CA 0.270 62.408 62.100 0.063 0.000 0.988 554 T CB 0.508 69.402 68.868 0.044 0.000 0.993 554 T HN 0.316 nan 8.240 nan 0.000 0.519 555 G N 1.321 110.177 108.800 0.094 0.000 2.630 555 G HA2 0.138 4.126 3.960 0.047 0.000 0.236 555 G HA3 0.138 4.126 3.960 0.047 0.000 0.236 555 G C 0.659 175.588 174.900 0.048 0.000 1.248 555 G CA -0.675 44.474 45.100 0.082 0.000 0.844 555 G HN 0.397 nan 8.290 nan 0.000 0.588 556 R N 0.013 120.533 120.500 0.032 0.000 2.371 556 R HA -0.108 4.260 4.340 0.047 0.000 0.226 556 R C 0.102 176.406 176.300 0.007 0.000 1.132 556 R CA 1.456 57.566 56.100 0.017 0.000 1.027 556 R CB -0.031 30.275 30.300 0.010 0.000 0.848 556 R HN 0.624 nan 8.270 nan 0.000 0.479 557 D N -0.260 120.145 120.400 0.007 0.000 2.502 557 D HA 0.040 4.708 4.640 0.047 0.000 0.301 557 D C -0.842 175.457 176.300 -0.001 0.000 1.202 557 D CA -0.484 53.508 54.000 -0.014 0.000 0.878 557 D CB 0.571 41.343 40.800 -0.047 0.000 1.062 557 D HN -0.198 nan 8.370 nan 0.000 0.499 558 T N 1.731 116.292 114.554 0.012 0.000 2.581 558 T HA -0.029 4.350 4.350 0.047 0.000 0.227 558 T C 0.173 174.890 174.700 0.028 0.000 1.023 558 T CA 0.547 62.661 62.100 0.025 0.000 1.158 558 T CB 0.019 68.891 68.868 0.007 0.000 1.013 558 T HN 0.378 nan 8.240 nan 0.000 0.462 559 L N 3.040 124.305 121.223 0.069 0.000 2.505 559 L HA 0.419 4.787 4.340 0.047 0.000 0.266 559 L C 0.130 177.070 176.870 0.116 0.000 0.954 559 L CA -0.847 54.040 54.840 0.079 0.000 0.852 559 L CB 2.314 44.438 42.059 0.108 0.000 1.282 559 L HN 0.554 nan 8.230 nan 0.000 0.403 560 R N 2.433 122.983 120.500 0.084 0.000 2.210 560 R HA 0.421 4.790 4.340 0.047 0.000 0.338 560 R C -1.044 175.326 176.300 0.116 0.000 1.062 560 R CA -0.278 55.873 56.100 0.085 0.000 0.902 560 R CB 0.446 30.774 30.300 0.047 0.000 1.050 560 R HN 0.617 nan 8.270 nan 0.000 0.461 561 C N 5.707 125.096 119.300 0.149 0.000 2.365 561 C HA 0.502 4.990 4.460 0.047 0.000 0.351 561 C C -0.463 174.598 174.990 0.118 0.000 1.240 561 C CA -0.794 58.331 59.018 0.179 0.000 2.062 561 C CB 0.358 28.233 27.740 0.226 0.000 2.387 561 C HN 0.697 nan 8.230 nan 0.000 0.537 562 L N 2.832 124.115 121.223 0.101 0.000 2.362 562 L HA 0.679 5.047 4.340 0.047 0.000 0.275 562 L C 0.396 177.299 176.870 0.055 0.000 0.998 562 L CA -0.085 54.794 54.840 0.066 0.000 0.820 562 L CB 1.213 43.291 42.059 0.032 0.000 1.270 562 L HN 0.801 nan 8.230 nan 0.000 0.415 563 A N 4.427 127.292 122.820 0.074 0.000 2.327 563 A HA 0.834 5.182 4.320 0.047 0.000 0.283 563 A C -0.663 176.925 177.584 0.007 0.000 1.127 563 A CA -0.358 51.733 52.037 0.091 0.000 0.810 563 A CB 0.356 19.470 19.000 0.190 0.000 1.066 563 A HN 0.665 nan 8.150 nan 0.000 0.492 564 L N 1.839 122.990 121.223 -0.121 0.000 2.349 564 L HA 0.731 5.099 4.340 0.047 0.000 0.278 564 L C 0.225 176.968 176.870 -0.212 0.000 0.996 564 L CA -0.363 54.390 54.840 -0.144 0.000 0.825 564 L CB 1.563 43.507 42.059 -0.193 0.000 1.243 564 L HN 0.835 nan 8.230 nan 0.000 0.412 565 A N 1.948 124.722 122.820 -0.076 0.000 2.486 565 A HA 0.917 5.265 4.320 0.047 0.000 0.289 565 A C -0.775 176.833 177.584 0.041 0.000 1.176 565 A CA -0.596 51.417 52.037 -0.039 0.000 0.757 565 A CB 2.391 21.426 19.000 0.057 0.000 1.337 565 A HN 0.523 nan 8.150 nan 0.000 0.423 566 T N -0.512 114.089 114.554 0.079 0.000 2.916 566 T HA 0.542 4.920 4.350 0.047 0.000 0.305 566 T C -1.178 173.584 174.700 0.104 0.000 1.119 566 T CA -0.556 61.640 62.100 0.159 0.000 1.008 566 T CB 1.197 70.227 68.868 0.269 0.000 1.129 566 T HN 0.668 nan 8.240 nan 0.000 0.480 567 R N 2.893 123.421 120.500 0.045 0.000 2.215 567 R HA 0.269 4.638 4.340 0.047 0.000 0.337 567 R C 0.203 176.494 176.300 -0.015 0.000 1.010 567 R CA -0.538 55.571 56.100 0.015 0.000 0.871 567 R CB 0.449 30.733 30.300 -0.027 0.000 1.134 567 R HN 0.671 nan 8.270 nan 0.000 0.477 568 D N 1.183 121.613 120.400 0.050 0.000 2.097 568 D HA -0.101 4.567 4.640 0.047 0.000 0.195 568 D C 0.304 176.600 176.300 -0.007 0.000 0.989 568 D CA 1.611 55.631 54.000 0.033 0.000 0.827 568 D CB 0.245 41.090 40.800 0.074 0.000 0.966 568 D HN 0.502 nan 8.370 nan 0.000 0.456 569 T N 0.733 115.301 114.554 0.023 0.000 3.053 569 T HA 0.434 4.812 4.350 0.047 0.000 0.363 569 T C -2.531 172.181 174.700 0.020 0.000 1.239 569 T CA -1.658 60.451 62.100 0.015 0.000 1.071 569 T CB 2.137 71.034 68.868 0.048 0.000 1.089 569 T HN -0.071 nan 8.240 nan 0.000 0.527 570 P HA 0.407 nan 4.420 nan 0.000 0.278 570 P C -2.456 174.922 177.300 0.130 0.000 1.258 570 P CA -1.672 61.438 63.100 0.017 0.000 0.811 570 P CB 0.160 31.753 31.700 -0.178 0.000 1.063 571 P HA 0.126 nan 4.420 nan 0.000 0.269 571 P C -0.223 177.215 177.300 0.231 0.000 1.215 571 P CA -0.022 63.209 63.100 0.218 0.000 0.780 571 P CB 0.667 32.540 31.700 0.289 0.000 0.898 572 K N 1.305 121.799 120.400 0.157 0.000 2.448 572 K HA -0.022 4.326 4.320 0.047 0.000 0.278 572 K C 1.457 178.097 176.600 0.066 0.000 1.009 572 K CA -0.108 56.252 56.287 0.122 0.000 0.995 572 K CB 0.291 32.837 32.500 0.078 0.000 0.917 572 K HN 0.265 nan 8.250 nan 0.000 0.481 573 R N 2.558 123.064 120.500 0.011 0.000 2.276 573 R HA -0.206 4.162 4.340 0.047 0.000 0.243 573 R C 0.669 176.894 176.300 -0.124 0.000 1.161 573 R CA 1.732 57.744 56.100 -0.148 0.000 1.007 573 R CB -0.057 30.148 30.300 -0.157 0.000 0.867 573 R HN 0.600 nan 8.270 nan 0.000 0.472 574 E N -0.257 119.916 120.200 -0.044 0.000 2.102 574 E HA -0.016 4.363 4.350 0.047 0.000 0.190 574 E C 1.503 178.102 176.600 -0.002 0.000 0.971 574 E CA 0.955 57.337 56.400 -0.030 0.000 0.821 574 E CB -0.059 29.638 29.700 -0.005 0.000 0.777 574 E HN 0.270 nan 8.360 nan 0.000 0.460 575 E N 0.023 120.248 120.200 0.041 0.000 2.409 575 E HA -0.051 4.327 4.350 0.047 0.000 0.198 575 E C 0.104 176.802 176.600 0.163 0.000 1.024 575 E CA 0.533 56.992 56.400 0.098 0.000 0.861 575 E CB -0.037 29.740 29.700 0.128 0.000 0.788 575 E HN 0.349 nan 8.360 nan 0.000 0.521 576 M N 1.084 120.717 119.600 0.056 0.000 2.113 576 M HA 0.169 4.677 4.480 0.047 0.000 0.352 576 M C -0.429 175.821 176.300 -0.084 0.000 1.170 576 M CA -0.382 54.880 55.300 -0.064 0.000 1.053 576 M CB 1.916 34.258 32.600 -0.431 0.000 1.601 576 M HN -0.351 nan 8.290 nan 0.000 0.459 577 V N 5.870 125.852 119.914 0.114 0.000 2.240 577 V HA 0.127 4.276 4.120 0.047 0.000 0.265 577 V C 1.218 177.378 176.094 0.110 0.000 1.073 577 V CA -0.260 62.079 62.300 0.065 0.000 0.857 577 V CB 0.154 32.040 31.823 0.105 0.000 1.114 577 V HN 0.902 nan 8.190 nan 0.000 0.469 578 L N 0.620 121.820 121.223 -0.039 0.000 2.270 578 L HA -0.166 4.202 4.340 0.047 0.000 0.217 578 L C 2.123 179.160 176.870 0.277 0.000 1.107 578 L CA 1.380 56.276 54.840 0.093 0.000 0.772 578 L CB -0.363 41.570 42.059 -0.210 0.000 0.902 578 L HN 0.574 nan 8.230 nan 0.000 0.439 579 D N 0.374 120.859 120.400 0.142 0.000 2.310 579 D HA -0.113 4.555 4.640 0.047 0.000 0.212 579 D C 0.215 176.524 176.300 0.016 0.000 0.965 579 D CA 0.689 54.781 54.000 0.153 0.000 0.879 579 D CB 0.089 40.942 40.800 0.088 0.000 0.921 579 D HN 0.358 nan 8.370 nan 0.000 0.510 580 D N 0.404 120.774 120.400 -0.051 0.000 2.522 580 D HA 0.004 4.672 4.640 0.047 0.000 0.218 580 D C 1.232 177.110 176.300 -0.702 0.000 1.149 580 D CA -0.009 53.847 54.000 -0.239 0.000 0.981 580 D CB 0.933 41.683 40.800 -0.084 0.000 1.041 580 D HN 0.027 nan 8.370 nan 0.000 0.518 581 S N -0.161 114.893 115.700 -1.076 0.000 2.571 581 S HA -0.180 4.319 4.470 0.047 0.000 0.245 581 S C 1.560 175.550 174.600 -1.017 0.000 0.976 581 S CA 0.666 57.924 58.200 -1.569 0.000 0.954 581 S CB -0.183 62.298 63.200 -1.199 0.000 0.756 581 S HN 0.338 nan 8.310 nan 0.000 0.535 582 S N -0.316 115.004 115.700 -0.633 0.000 2.540 582 S HA 0.363 4.861 4.470 0.047 0.000 0.222 582 S C 1.427 175.869 174.600 -0.265 0.000 1.008 582 S CA -0.523 57.467 58.200 -0.350 0.000 0.939 582 S CB 0.044 63.106 63.200 -0.230 0.000 0.865 582 S HN 0.346 nan 8.310 nan 0.000 0.499 583 R N 0.918 121.244 120.500 -0.290 0.000 2.280 583 R HA 0.464 4.832 4.340 0.047 0.000 0.195 583 R C 1.199 177.444 176.300 -0.092 0.000 0.935 583 R CA 0.263 56.243 56.100 -0.200 0.000 1.033 583 R CB -0.940 29.315 30.300 -0.075 0.000 0.964 583 R HN 0.588 nan 8.270 nan 0.000 0.489 584 F N -0.664 119.325 119.950 0.065 0.000 2.171 584 F HA -0.261 4.294 4.527 0.047 0.000 0.300 584 F C 2.111 177.954 175.800 0.072 0.000 1.090 584 F CA 0.542 58.688 58.000 0.244 0.000 1.293 584 F CB -0.283 38.824 39.000 0.179 0.000 1.013 584 F HN 0.097 nan 8.300 nan 0.000 0.486 585 M N 1.681 121.375 119.600 0.157 0.000 2.108 585 M HA -0.295 4.214 4.480 0.047 0.000 0.257 585 M C 2.056 178.369 176.300 0.022 0.000 1.071 585 M CA 2.276 57.612 55.300 0.060 0.000 1.093 585 M CB -0.511 32.082 32.600 -0.011 0.000 1.345 585 M HN 0.315 nan 8.290 nan 0.000 0.403 586 E N -2.006 118.152 120.200 -0.071 0.000 2.086 586 E HA -0.173 4.205 4.350 0.047 0.000 0.190 586 E C 1.777 178.369 176.600 -0.014 0.000 0.975 586 E CA 0.997 57.338 56.400 -0.099 0.000 0.813 586 E CB -0.983 28.590 29.700 -0.211 0.000 0.768 586 E HN 0.552 nan 8.360 nan 0.000 0.457 587 Y N 1.947 122.321 120.300 0.123 0.000 2.298 587 Y HA -0.120 4.459 4.550 0.047 0.000 0.287 587 Y C 1.018 176.968 175.900 0.082 0.000 1.164 587 Y CA 1.285 59.460 58.100 0.124 0.000 1.229 587 Y CB -0.255 38.307 38.460 0.169 0.000 0.977 587 Y HN 0.174 nan 8.280 nan 0.000 0.538 588 E N -0.369 119.956 120.200 0.207 0.000 2.411 588 E HA 0.118 4.496 4.350 0.047 0.000 0.228 588 E C 0.238 176.885 176.600 0.079 0.000 1.169 588 E CA -0.090 56.386 56.400 0.126 0.000 1.421 588 E CB 0.282 30.054 29.700 0.121 0.000 1.333 588 E HN 0.055 nan 8.360 nan 0.000 0.434 589 T N -0.467 114.125 114.554 0.064 0.000 2.938 589 T HA 0.153 4.532 4.350 0.047 0.000 0.285 589 T C -0.079 174.626 174.700 0.009 0.000 1.028 589 T CA -0.284 61.830 62.100 0.023 0.000 1.005 589 T CB 0.985 69.857 68.868 0.006 0.000 1.157 589 T HN 0.249 nan 8.240 nan 0.000 0.550 590 D N 0.077 120.452 120.400 -0.041 0.000 2.837 590 D HA -0.140 4.528 4.640 0.047 0.000 0.230 590 D C 0.038 176.301 176.300 -0.062 0.000 1.152 590 D CA 0.589 54.533 54.000 -0.093 0.000 0.736 590 D CB -1.487 39.300 40.800 -0.022 0.000 1.084 590 D HN 0.419 nan 8.370 nan 0.000 0.429 591 L N -0.852 120.353 121.223 -0.031 0.000 2.425 591 L HA 0.359 4.727 4.340 0.047 0.000 0.225 591 L C 0.898 177.796 176.870 0.047 0.000 1.222 591 L CA 0.384 55.241 54.840 0.028 0.000 0.832 591 L CB 0.500 42.589 42.059 0.050 0.000 1.238 591 L HN 0.075 nan 8.230 nan 0.000 0.533 592 T N 0.543 115.165 114.554 0.114 0.000 3.031 592 T HA 0.254 4.632 4.350 0.047 0.000 0.305 592 T C -0.753 174.041 174.700 0.156 0.000 0.985 592 T CA -0.413 61.793 62.100 0.176 0.000 1.008 592 T CB 0.832 69.824 68.868 0.206 0.000 1.005 592 T HN 0.258 nan 8.240 nan 0.000 0.444 593 F N 4.353 124.331 119.950 0.047 0.000 2.529 593 F HA 0.357 4.913 4.527 0.047 0.000 0.365 593 F C 0.698 176.504 175.800 0.010 0.000 1.102 593 F CA 0.231 58.241 58.000 0.018 0.000 1.271 593 F CB 0.617 39.624 39.000 0.012 0.000 1.120 593 F HN 0.351 nan 8.300 nan 0.000 0.579 594 V N 4.427 123.786 119.914 -0.924 0.000 2.721 594 V HA 0.495 4.643 4.120 0.047 0.000 0.236 594 V C 1.044 176.522 176.094 -1.027 0.000 1.116 594 V CA 0.647 62.530 62.300 -0.695 0.000 1.148 594 V CB -0.228 31.346 31.823 -0.415 0.000 0.886 594 V HN 1.024 nan 8.190 nan 0.000 0.490 595 G N -0.770 107.258 108.800 -1.286 0.000 2.554 595 G HA2 0.575 4.564 3.960 0.047 0.000 0.306 595 G HA3 0.575 4.564 3.960 0.047 0.000 0.306 595 G C -2.182 172.295 174.900 -0.706 0.000 1.320 595 G CA -0.217 44.327 45.100 -0.927 0.000 0.800 595 G HN 0.041 nan 8.290 nan 0.000 0.481 596 V N -0.238 119.288 119.914 -0.648 0.000 2.925 596 V HA 0.770 4.919 4.120 0.047 0.000 0.311 596 V C -0.277 175.749 176.094 -0.113 0.000 1.104 596 V CA -0.685 61.397 62.300 -0.364 0.000 0.954 596 V CB 1.735 33.261 31.823 -0.496 0.000 1.022 596 V HN 1.396 nan 8.190 nan 0.000 0.427 597 V N 0.352 120.306 119.914 0.066 0.000 2.709 597 V HA 1.044 5.192 4.120 0.047 0.000 0.308 597 V C 0.011 176.245 176.094 0.234 0.000 1.062 597 V CA -0.410 61.978 62.300 0.148 0.000 0.901 597 V CB 1.763 33.602 31.823 0.026 0.000 1.003 597 V HN 1.076 nan 8.190 nan 0.000 0.425 598 G N 5.562 114.507 108.800 0.241 0.000 2.574 598 G HA2 0.653 4.641 3.960 0.047 0.000 0.306 598 G HA3 0.653 4.641 3.960 0.047 0.000 0.306 598 G C -0.596 174.316 174.900 0.020 0.000 1.334 598 G CA -0.858 44.361 45.100 0.199 0.000 0.954 598 G HN 1.131 nan 8.290 nan 0.000 0.500 599 M N 1.542 121.156 119.600 0.023 0.000 2.753 599 M HA 0.909 5.417 4.480 0.047 0.000 0.299 599 M C -1.215 175.068 176.300 -0.028 0.000 1.219 599 M CA -1.122 54.160 55.300 -0.029 0.000 0.900 599 M CB 2.080 34.661 32.600 -0.033 0.000 1.628 599 M HN 0.373 nan 8.290 nan 0.000 0.502 600 L N 0.692 121.884 121.223 -0.052 0.000 2.409 600 L HA 0.595 4.963 4.340 0.047 0.000 0.262 600 L C -1.865 174.979 176.870 -0.042 0.000 0.992 600 L CA -0.044 54.770 54.840 -0.044 0.000 0.817 600 L CB 2.342 44.366 42.059 -0.058 0.000 1.350 600 L HN 0.852 nan 8.230 nan 0.000 0.411 601 D N 4.734 125.119 120.400 -0.026 0.000 2.502 601 D HA 0.370 5.039 4.640 0.047 0.000 0.301 601 D C -2.564 173.727 176.300 -0.015 0.000 1.202 601 D CA -1.843 52.148 54.000 -0.015 0.000 0.878 601 D CB 0.742 41.541 40.800 -0.003 0.000 1.062 601 D HN 0.374 nan 8.370 nan 0.000 0.499 602 P HA 0.010 nan 4.420 nan 0.000 0.261 602 P C -2.490 174.802 177.300 -0.012 0.000 1.158 602 P CA -0.733 62.356 63.100 -0.018 0.000 0.758 602 P CB -0.021 31.668 31.700 -0.018 0.000 0.763 603 P HA 0.157 nan 4.420 nan 0.000 0.267 603 P C 0.298 177.596 177.300 -0.003 0.000 1.205 603 P CA -0.046 63.042 63.100 -0.021 0.000 0.765 603 P CB 0.292 31.973 31.700 -0.031 0.000 0.828 604 R N 3.193 123.698 120.500 0.008 0.000 2.547 604 R HA -0.154 4.214 4.340 0.047 0.000 0.269 604 R C 1.197 177.515 176.300 0.030 0.000 0.968 604 R CA 1.053 57.171 56.100 0.029 0.000 1.101 604 R CB 0.055 30.388 30.300 0.055 0.000 0.898 604 R HN 0.413 nan 8.270 nan 0.000 0.416 605 K N 2.378 122.796 120.400 0.029 0.000 2.218 605 K HA -0.211 4.138 4.320 0.047 0.000 0.205 605 K C 0.592 177.212 176.600 0.033 0.000 1.046 605 K CA 2.057 58.359 56.287 0.026 0.000 0.933 605 K CB 0.047 32.561 32.500 0.023 0.000 0.728 605 K HN 0.566 nan 8.250 nan 0.000 0.454 606 E N -0.361 119.868 120.200 0.048 0.000 2.526 606 E HA -0.030 4.349 4.350 0.047 0.000 0.208 606 E C 1.641 178.297 176.600 0.093 0.000 0.997 606 E CA 0.160 56.594 56.400 0.057 0.000 0.961 606 E CB 0.182 29.911 29.700 0.048 0.000 1.030 606 E HN 0.154 nan 8.360 nan 0.000 0.483 607 V N -1.020 118.961 119.914 0.111 0.000 2.282 607 V HA -0.316 3.833 4.120 0.047 0.000 0.249 607 V C 2.172 178.335 176.094 0.115 0.000 1.057 607 V CA 1.609 64.006 62.300 0.163 0.000 1.032 607 V CB -0.586 31.264 31.823 0.046 0.000 0.645 607 V HN 0.216 nan 8.190 nan 0.000 0.447 608 M N 1.325 120.957 119.600 0.054 0.000 2.144 608 M HA -0.117 4.392 4.480 0.047 0.000 0.260 608 M C 2.096 178.428 176.300 0.055 0.000 1.067 608 M CA 2.312 57.634 55.300 0.037 0.000 1.095 608 M CB -1.458 31.155 32.600 0.021 0.000 1.365 608 M HN 0.616 nan 8.290 nan 0.000 0.406 609 G N -1.252 107.584 108.800 0.061 0.000 2.454 609 G HA2 -0.146 3.843 3.960 0.047 0.000 0.214 609 G HA3 -0.146 3.843 3.960 0.047 0.000 0.214 609 G C 1.542 176.483 174.900 0.069 0.000 1.217 609 G CA 0.895 46.026 45.100 0.053 0.000 0.799 609 G HN 0.475 nan 8.290 nan 0.000 0.538 610 S N 0.719 116.473 115.700 0.090 0.000 2.368 610 S HA -0.170 4.328 4.470 0.047 0.000 0.226 610 S C 2.315 176.999 174.600 0.140 0.000 1.044 610 S CA 1.222 59.473 58.200 0.085 0.000 1.062 610 S CB -0.284 62.956 63.200 0.066 0.000 0.931 610 S HN 0.241 nan 8.310 nan 0.000 0.440 611 I N 1.658 122.370 120.570 0.236 0.000 2.087 611 I HA -0.238 3.960 4.170 0.047 0.000 0.240 611 I C 2.718 178.899 176.117 0.108 0.000 1.054 611 I CA 1.752 63.174 61.300 0.203 0.000 1.311 611 I CB -1.594 36.474 38.000 0.112 0.000 1.024 611 I HN 0.336 nan 8.210 nan 0.000 0.402 612 Q N 0.988 120.834 119.800 0.077 0.000 2.173 612 Q HA -0.216 4.152 4.340 0.047 0.000 0.208 612 Q C 2.205 178.234 176.000 0.048 0.000 0.989 612 Q CA 1.700 57.535 55.803 0.053 0.000 0.872 612 Q CB -0.669 28.093 28.738 0.042 0.000 0.909 612 Q HN 0.576 nan 8.270 nan 0.000 0.420 613 L N -0.934 120.318 121.223 0.048 0.000 2.017 613 L HA -0.208 4.160 4.340 0.047 0.000 0.208 613 L C 2.048 178.936 176.870 0.030 0.000 1.073 613 L CA 1.492 56.350 54.840 0.030 0.000 0.745 613 L CB -0.283 41.786 42.059 0.016 0.000 0.894 613 L HN 0.377 nan 8.230 nan 0.000 0.432 614 C N -0.651 118.676 119.300 0.045 0.000 2.449 614 C HA -0.059 4.429 4.460 0.047 0.000 0.283 614 C C 2.746 177.765 174.990 0.048 0.000 1.453 614 C CA -0.045 58.999 59.018 0.044 0.000 1.779 614 C CB -1.322 26.462 27.740 0.074 0.000 1.779 614 C HN 0.440 nan 8.230 nan 0.000 0.546 615 R N 1.471 122.001 120.500 0.050 0.000 2.062 615 R HA -0.078 4.290 4.340 0.047 0.000 0.231 615 R C 1.598 177.919 176.300 0.035 0.000 1.136 615 R CA 1.540 57.668 56.100 0.045 0.000 0.948 615 R CB -0.685 29.642 30.300 0.045 0.000 0.845 615 R HN 0.546 nan 8.270 nan 0.000 0.430 616 D N 0.083 120.500 120.400 0.029 0.000 2.277 616 D HA -0.037 4.631 4.640 0.047 0.000 0.208 616 D C 1.371 177.683 176.300 0.021 0.000 0.962 616 D CA 0.813 54.827 54.000 0.023 0.000 0.865 616 D CB 0.009 40.821 40.800 0.019 0.000 0.939 616 D HN 0.171 nan 8.370 nan 0.000 0.510 617 A N 0.476 123.308 122.820 0.020 0.000 2.239 617 A HA 0.251 4.599 4.320 0.047 0.000 0.209 617 A C 1.879 179.474 177.584 0.019 0.000 1.171 617 A CA 1.083 53.129 52.037 0.016 0.000 0.768 617 A CB -0.600 18.405 19.000 0.010 0.000 0.790 617 A HN 0.246 nan 8.150 nan 0.000 0.478 618 G N -0.952 107.862 108.800 0.025 0.000 2.187 618 G HA2 -0.269 3.720 3.960 0.047 0.000 0.261 618 G HA3 -0.269 3.720 3.960 0.047 0.000 0.261 618 G C 0.128 175.044 174.900 0.028 0.000 1.000 618 G CA 0.690 45.806 45.100 0.027 0.000 0.718 618 G HN 0.527 nan 8.290 nan 0.000 0.519 619 I N -0.060 120.528 120.570 0.030 0.000 2.385 619 I HA 0.379 4.578 4.170 0.047 0.000 0.294 619 I C 0.940 177.086 176.117 0.047 0.000 0.988 619 I CA -0.887 60.432 61.300 0.033 0.000 1.265 619 I CB 1.379 39.394 38.000 0.026 0.000 1.388 619 I HN 0.051 nan 8.210 nan 0.000 0.480 620 R N 4.705 125.234 120.500 0.048 0.000 2.404 620 R HA 0.555 4.923 4.340 0.047 0.000 0.291 620 R C -1.256 175.086 176.300 0.070 0.000 1.025 620 R CA -0.408 55.724 56.100 0.055 0.000 0.991 620 R CB 1.800 32.129 30.300 0.047 0.000 1.053 620 R HN 0.436 nan 8.270 nan 0.000 0.479 621 V N 7.183 127.139 119.914 0.069 0.000 2.357 621 V HA 0.355 4.503 4.120 0.047 0.000 0.281 621 V C -0.604 175.499 176.094 0.016 0.000 1.015 621 V CA -0.590 61.761 62.300 0.085 0.000 0.827 621 V CB 1.101 33.009 31.823 0.143 0.000 1.018 621 V HN 0.641 nan 8.190 nan 0.000 0.432 622 I N 7.390 127.983 120.570 0.038 0.000 2.325 622 I HA 0.375 4.573 4.170 0.047 0.000 0.291 622 I C 0.336 176.454 176.117 0.001 0.000 1.019 622 I CA 0.021 61.341 61.300 0.034 0.000 1.302 622 I CB 1.394 39.476 38.000 0.136 0.000 1.401 622 I HN 0.508 nan 8.210 nan 0.000 0.485 623 M N 7.949 127.509 119.600 -0.067 0.000 2.233 623 M HA 0.518 5.026 4.480 0.047 0.000 0.355 623 M C -1.201 175.095 176.300 -0.006 0.000 1.191 623 M CA -0.251 54.992 55.300 -0.096 0.000 1.101 623 M CB 1.167 33.654 32.600 -0.188 0.000 1.592 623 M HN 0.501 nan 8.290 nan 0.000 0.461 624 I N 3.903 124.471 120.570 -0.004 0.000 2.410 624 I HA 0.315 4.513 4.170 0.047 0.000 0.286 624 I C -0.103 176.016 176.117 0.003 0.000 1.009 624 I CA -0.373 60.946 61.300 0.032 0.000 1.111 624 I CB 2.021 40.019 38.000 -0.004 0.000 1.262 624 I HN 0.661 nan 8.210 nan 0.000 0.443 625 T N 2.681 117.245 114.554 0.017 0.000 2.883 625 T HA 0.616 4.994 4.350 0.047 0.000 0.284 625 T C 0.674 175.390 174.700 0.026 0.000 1.041 625 T CA -0.327 61.777 62.100 0.006 0.000 1.007 625 T CB 1.840 70.703 68.868 -0.008 0.000 1.220 625 T HN 0.679 nan 8.240 nan 0.000 0.552 626 G N 0.638 109.452 108.800 0.023 0.000 3.519 626 G HA2 0.249 4.238 3.960 0.047 0.000 0.269 626 G HA3 0.249 4.238 3.960 0.047 0.000 0.269 626 G C 0.136 175.060 174.900 0.040 0.000 1.028 626 G CA -0.245 44.877 45.100 0.036 0.000 0.809 626 G HN 0.657 nan 8.290 nan 0.000 0.521 627 D N 1.024 121.443 120.400 0.032 0.000 2.414 627 D HA 0.073 4.741 4.640 0.047 0.000 0.251 627 D C 0.274 176.601 176.300 0.045 0.000 1.252 627 D CA -0.042 53.979 54.000 0.034 0.000 0.999 627 D CB 0.744 41.557 40.800 0.022 0.000 1.093 627 D HN 0.314 nan 8.370 nan 0.000 0.515 628 N N -0.537 118.192 118.700 0.047 0.000 2.530 628 N HA -0.008 4.760 4.740 0.047 0.000 0.277 628 N C 0.650 176.186 175.510 0.042 0.000 1.168 628 N CA -0.453 52.627 53.050 0.051 0.000 0.979 628 N CB 1.396 39.915 38.487 0.053 0.000 1.141 628 N HN 0.295 nan 8.380 nan 0.000 0.459 629 K N 1.506 121.933 120.400 0.046 0.000 2.066 629 K HA -0.293 4.056 4.320 0.047 0.000 0.221 629 K C 1.679 178.294 176.600 0.025 0.000 1.056 629 K CA 2.339 58.646 56.287 0.034 0.000 0.950 629 K CB -1.016 31.506 32.500 0.036 0.000 0.726 629 K HN 0.772 nan 8.250 nan 0.000 0.456 630 G N -0.120 108.697 108.800 0.028 0.000 2.777 630 G HA2 -0.349 3.639 3.960 0.047 0.000 0.217 630 G HA3 -0.349 3.639 3.960 0.047 0.000 0.217 630 G C 1.424 176.342 174.900 0.030 0.000 1.295 630 G CA 1.994 47.111 45.100 0.028 0.000 0.800 630 G HN 0.441 nan 8.290 nan 0.000 0.637 631 T N 1.766 116.341 114.554 0.035 0.000 2.760 631 T HA -0.088 4.290 4.350 0.047 0.000 0.269 631 T C 2.706 177.414 174.700 0.012 0.000 1.047 631 T CA 1.886 64.005 62.100 0.032 0.000 1.139 631 T CB -0.522 68.370 68.868 0.040 0.000 0.855 631 T HN 0.519 nan 8.240 nan 0.000 0.471 632 A N 1.347 124.172 122.820 0.007 0.000 1.873 632 A HA -0.121 4.228 4.320 0.047 0.000 0.218 632 A C 2.286 179.846 177.584 -0.040 0.000 1.193 632 A CA 1.608 53.633 52.037 -0.019 0.000 0.629 632 A CB -0.882 18.112 19.000 -0.011 0.000 0.826 632 A HN 0.537 nan 8.150 nan 0.000 0.447 633 I N -0.480 120.086 120.570 -0.006 0.000 2.163 633 I HA -0.322 3.877 4.170 0.047 0.000 0.243 633 I C 3.010 179.153 176.117 0.043 0.000 1.085 633 I CA 1.067 62.390 61.300 0.037 0.000 1.347 633 I CB -0.494 37.562 38.000 0.094 0.000 1.044 633 I HN 0.421 nan 8.210 nan 0.000 0.408 634 A N 1.583 124.422 122.820 0.032 0.000 1.834 634 A HA -0.235 4.113 4.320 0.047 0.000 0.216 634 A C 2.237 179.823 177.584 0.003 0.000 1.203 634 A CA 1.881 53.936 52.037 0.030 0.000 0.621 634 A CB -1.125 17.893 19.000 0.030 0.000 0.841 634 A HN 0.393 nan 8.150 nan 0.000 0.446 635 I N -0.434 120.125 120.570 -0.018 0.000 2.358 635 I HA -0.422 3.777 4.170 0.047 0.000 0.257 635 I C 2.449 178.519 176.117 -0.078 0.000 1.123 635 I CA 1.393 62.667 61.300 -0.044 0.000 1.393 635 I CB -0.743 37.225 38.000 -0.052 0.000 1.073 635 I HN 0.434 nan 8.210 nan 0.000 0.437 636 C N 0.294 119.531 119.300 -0.105 0.000 2.500 636 C HA -0.046 4.442 4.460 0.047 0.000 0.279 636 C C 2.901 177.847 174.990 -0.074 0.000 1.288 636 C CA 0.400 59.304 59.018 -0.191 0.000 1.710 636 C CB -0.924 26.557 27.740 -0.432 0.000 2.052 636 C HN 0.437 nan 8.230 nan 0.000 0.488 637 R N 0.566 121.090 120.500 0.040 0.000 2.096 637 R HA -0.118 4.251 4.340 0.047 0.000 0.235 637 R C 2.441 178.762 176.300 0.036 0.000 1.127 637 R CA 1.118 57.277 56.100 0.098 0.000 0.968 637 R CB -0.362 30.002 30.300 0.105 0.000 0.861 637 R HN 0.527 nan 8.270 nan 0.000 0.440 638 R N 1.686 122.191 120.500 0.008 0.000 2.075 638 R HA -0.138 4.231 4.340 0.047 0.000 0.230 638 R C 2.176 178.467 176.300 -0.014 0.000 1.140 638 R CA 2.063 58.161 56.100 -0.004 0.000 0.928 638 R CB -0.405 29.887 30.300 -0.014 0.000 0.834 638 R HN 0.344 nan 8.270 nan 0.000 0.429 639 I N -1.990 118.556 120.570 -0.040 0.000 3.369 639 I HA 0.184 4.382 4.170 0.047 0.000 0.288 639 I C 1.041 177.138 176.117 -0.033 0.000 1.321 639 I CA 1.090 62.361 61.300 -0.048 0.000 1.358 639 I CB 0.071 38.014 38.000 -0.095 0.000 1.038 639 I HN 0.541 nan 8.210 nan 0.000 0.516 640 G N 1.613 110.406 108.800 -0.012 0.000 2.258 640 G HA2 -0.327 3.661 3.960 0.047 0.000 0.233 640 G HA3 -0.327 3.661 3.960 0.047 0.000 0.233 640 G C 0.817 175.729 174.900 0.020 0.000 1.006 640 G CA 0.329 45.438 45.100 0.014 0.000 0.620 640 G HN 0.467 nan 8.290 nan 0.000 0.511 641 I N 0.297 120.839 120.570 -0.047 0.000 2.181 641 I HA -0.070 4.129 4.170 0.047 0.000 0.247 641 I C 1.538 177.698 176.117 0.072 0.000 1.081 641 I CA 1.494 62.742 61.300 -0.086 0.000 1.340 641 I CB -0.148 37.681 38.000 -0.286 0.000 1.036 641 I HN 0.287 nan 8.210 nan 0.000 0.417 642 F N -0.720 119.208 119.950 -0.037 0.000 2.557 642 F HA 0.469 5.024 4.527 0.047 0.000 0.336 642 F C 0.979 176.762 175.800 -0.028 0.000 1.058 642 F CA -1.260 56.718 58.000 -0.037 0.000 0.988 642 F CB 1.233 40.204 39.000 -0.047 0.000 1.275 642 F HN -0.199 nan 8.300 nan 0.000 0.488 643 G N 0.537 109.418 108.800 0.134 0.000 2.442 643 G HA2 0.122 4.110 3.960 0.047 0.000 0.249 643 G HA3 0.122 4.110 3.960 0.047 0.000 0.249 643 G C 0.615 175.537 174.900 0.036 0.000 1.263 643 G CA -0.410 44.715 45.100 0.041 0.000 0.846 643 G HN 0.872 nan 8.290 nan 0.000 0.555 644 E N 0.538 120.756 120.200 0.029 0.000 2.394 644 E HA -0.209 4.169 4.350 0.047 0.000 0.202 644 E C 0.580 177.183 176.600 0.005 0.000 1.029 644 E CA 1.118 57.531 56.400 0.022 0.000 0.855 644 E CB 0.100 29.808 29.700 0.013 0.000 0.770 644 E HN 0.330 nan 8.360 nan 0.000 0.527 645 N N 0.480 119.171 118.700 -0.015 0.000 3.304 645 N HA 0.020 4.789 4.740 0.047 0.000 0.187 645 N C -1.844 173.628 175.510 -0.064 0.000 1.482 645 N CA -0.051 52.978 53.050 -0.034 0.000 0.785 645 N CB 0.539 39.011 38.487 -0.024 0.000 1.619 645 N HN 0.428 nan 8.380 nan 0.000 0.624 646 E N -0.167 119.967 120.200 -0.109 0.000 2.446 646 E HA 0.487 4.865 4.350 0.047 0.000 0.276 646 E C -0.895 175.579 176.600 -0.210 0.000 0.969 646 E CA -0.866 55.444 56.400 -0.149 0.000 0.800 646 E CB 1.183 30.784 29.700 -0.166 0.000 1.341 646 E HN -0.098 nan 8.360 nan 0.000 0.460 647 E N 0.572 120.655 120.200 -0.195 0.000 2.384 647 E HA 0.164 4.542 4.350 0.047 0.000 0.266 647 E C 0.255 176.658 176.600 -0.328 0.000 1.012 647 E CA 0.105 56.382 56.400 -0.205 0.000 0.901 647 E CB 1.538 31.150 29.700 -0.146 0.000 0.967 647 E HN 0.525 nan 8.360 nan 0.000 0.435 648 V N -1.178 118.535 119.914 -0.334 0.000 3.503 648 V HA 0.336 4.485 4.120 0.047 0.000 0.426 648 V C 1.009 176.947 176.094 -0.260 0.000 1.555 648 V CA 0.148 62.179 62.300 -0.448 0.000 1.586 648 V CB 0.098 31.405 31.823 -0.861 0.000 1.152 648 V HN 0.534 nan 8.190 nan 0.000 0.571 649 A N 2.453 125.151 122.820 -0.203 0.000 1.829 649 A HA -0.196 4.152 4.320 0.047 0.000 0.216 649 A C 1.660 179.081 177.584 -0.272 0.000 1.207 649 A CA 2.278 54.204 52.037 -0.185 0.000 0.622 649 A CB -0.821 18.107 19.000 -0.121 0.000 0.846 649 A HN 0.846 nan 8.150 nan 0.000 0.447 650 D N -0.670 119.617 120.400 -0.190 0.000 2.490 650 D HA -0.002 4.666 4.640 0.047 0.000 0.255 650 D C 1.014 177.201 176.300 -0.189 0.000 1.248 650 D CA 0.212 54.118 54.000 -0.155 0.000 0.887 650 D CB -0.358 40.449 40.800 0.012 0.000 0.978 650 D HN 0.601 nan 8.370 nan 0.000 0.491 651 R N -0.712 119.607 120.500 -0.302 0.000 2.513 651 R HA 0.410 4.779 4.340 0.047 0.000 0.245 651 R C 0.111 176.288 176.300 -0.204 0.000 0.908 651 R CA 0.021 56.036 56.100 -0.141 0.000 1.023 651 R CB 1.096 31.390 30.300 -0.010 0.000 1.338 651 R HN 0.149 nan 8.270 nan 0.000 0.575 652 A N 0.985 123.557 122.820 -0.412 0.000 2.353 652 A HA 0.684 5.032 4.320 0.047 0.000 0.299 652 A C -1.532 175.714 177.584 -0.563 0.000 1.089 652 A CA -0.470 51.339 52.037 -0.380 0.000 0.736 652 A CB 0.768 19.703 19.000 -0.109 0.000 1.195 652 A HN 0.121 nan 8.150 nan 0.000 0.447 653 Y N 0.411 120.564 120.300 -0.245 0.000 2.562 653 Y HA 0.664 5.243 4.550 0.047 0.000 0.343 653 Y C 1.093 177.035 175.900 0.069 0.000 1.025 653 Y CA -0.242 57.836 58.100 -0.035 0.000 1.082 653 Y CB 2.511 41.024 38.460 0.089 0.000 1.264 653 Y HN 0.759 nan 8.280 nan 0.000 0.478 654 T N -2.446 112.292 114.554 0.306 0.000 2.948 654 T HA 0.458 4.837 4.350 0.047 0.000 0.285 654 T C 1.212 176.085 174.700 0.287 0.000 1.019 654 T CA -0.226 62.017 62.100 0.239 0.000 1.013 654 T CB 1.372 70.341 68.868 0.169 0.000 1.117 654 T HN 0.802 nan 8.240 nan 0.000 0.533 655 G N 1.144 110.095 108.800 0.251 0.000 2.672 655 G HA2 -0.268 3.720 3.960 0.047 0.000 0.218 655 G HA3 -0.268 3.720 3.960 0.047 0.000 0.218 655 G C 1.666 176.766 174.900 0.333 0.000 1.238 655 G CA 0.596 45.883 45.100 0.312 0.000 0.791 655 G HN 0.683 nan 8.290 nan 0.000 0.606 656 R N 0.649 121.291 120.500 0.237 0.000 2.097 656 R HA -0.096 4.272 4.340 0.047 0.000 0.236 656 R C 2.571 178.986 176.300 0.192 0.000 1.135 656 R CA 1.739 57.954 56.100 0.192 0.000 0.934 656 R CB -1.072 29.308 30.300 0.133 0.000 0.846 656 R HN 0.639 nan 8.270 nan 0.000 0.431 657 E N -0.491 119.831 120.200 0.204 0.000 2.045 657 E HA -0.263 4.115 4.350 0.047 0.000 0.212 657 E C 1.796 178.500 176.600 0.174 0.000 1.039 657 E CA 1.919 58.449 56.400 0.216 0.000 0.860 657 E CB -0.468 29.426 29.700 0.323 0.000 0.776 657 E HN 0.257 nan 8.360 nan 0.000 0.467 658 F N 1.644 121.619 119.950 0.042 0.000 2.307 658 F HA -0.198 4.358 4.527 0.047 0.000 0.301 658 F C 1.680 177.416 175.800 -0.106 0.000 1.076 658 F CA 1.365 59.285 58.000 -0.133 0.000 1.383 658 F CB 0.118 39.066 39.000 -0.087 0.000 1.055 658 F HN -0.069 nan 8.300 nan 0.000 0.526 659 D N -0.166 120.326 120.400 0.154 0.000 2.347 659 D HA -0.053 4.616 4.640 0.047 0.000 0.213 659 D C 1.017 177.334 176.300 0.029 0.000 0.985 659 D CA 0.698 54.791 54.000 0.156 0.000 0.879 659 D CB -0.153 40.845 40.800 0.329 0.000 0.919 659 D HN 0.337 nan 8.370 nan 0.000 0.526 660 D N -0.775 119.621 120.400 -0.007 0.000 2.340 660 D HA 0.125 4.794 4.640 0.047 0.000 0.217 660 D C -0.029 176.221 176.300 -0.084 0.000 1.081 660 D CA 0.087 54.075 54.000 -0.021 0.000 0.842 660 D CB 0.476 41.285 40.800 0.014 0.000 0.934 660 D HN 0.175 nan 8.370 nan 0.000 0.511 661 L N 1.572 122.682 121.223 -0.188 0.000 2.317 661 L HA 0.468 4.836 4.340 0.047 0.000 0.281 661 L C -2.238 174.493 176.870 -0.231 0.000 1.024 661 L CA -2.176 52.525 54.840 -0.230 0.000 0.810 661 L CB 1.351 43.192 42.059 -0.363 0.000 1.240 661 L HN -0.275 nan 8.230 nan 0.000 0.427 662 P HA 0.090 nan 4.420 nan 0.000 0.268 662 P C 0.785 177.993 177.300 -0.153 0.000 1.205 662 P CA -0.459 62.570 63.100 -0.119 0.000 0.771 662 P CB 0.986 32.639 31.700 -0.078 0.000 0.858 663 L N 2.585 123.752 121.223 -0.094 0.000 2.151 663 L HA -0.339 4.029 4.340 0.047 0.000 0.219 663 L C 2.591 179.364 176.870 -0.162 0.000 1.083 663 L CA 2.984 57.787 54.840 -0.061 0.000 0.782 663 L CB -2.047 40.043 42.059 0.051 0.000 0.891 663 L HN 0.443 nan 8.230 nan 0.000 0.439 664 A N -0.190 122.558 122.820 -0.120 0.000 1.835 664 A HA -0.225 4.123 4.320 0.047 0.000 0.215 664 A C 2.215 179.702 177.584 -0.162 0.000 1.199 664 A CA 1.838 53.805 52.037 -0.116 0.000 0.615 664 A CB -0.667 18.289 19.000 -0.073 0.000 0.838 664 A HN 0.572 nan 8.150 nan 0.000 0.444 665 E N -0.513 119.588 120.200 -0.165 0.000 2.333 665 E HA -0.217 4.161 4.350 0.047 0.000 0.198 665 E C 2.077 178.508 176.600 -0.282 0.000 1.007 665 E CA 1.004 57.297 56.400 -0.178 0.000 0.845 665 E CB -0.146 29.457 29.700 -0.160 0.000 0.766 665 E HN 0.778 nan 8.360 nan 0.000 0.507 666 Q N 1.190 120.754 119.800 -0.393 0.000 1.946 666 Q HA -0.116 4.252 4.340 0.047 0.000 0.199 666 Q C 2.280 177.934 176.000 -0.576 0.000 0.979 666 Q CA 1.114 56.581 55.803 -0.560 0.000 0.834 666 Q CB -0.019 28.400 28.738 -0.532 0.000 0.899 666 Q HN 0.064 nan 8.270 nan 0.000 0.431 667 R N 0.182 120.111 120.500 -0.953 0.000 2.226 667 R HA -0.236 4.132 4.340 0.047 0.000 0.246 667 R C 1.587 177.762 176.300 -0.207 0.000 1.161 667 R CA 1.695 57.292 56.100 -0.839 0.000 0.997 667 R CB 0.050 30.058 30.300 -0.486 0.000 0.870 667 R HN 0.193 nan 8.270 nan 0.000 0.465 668 E N -0.156 119.950 120.200 -0.157 0.000 2.051 668 E HA 0.025 4.403 4.350 0.047 0.000 0.189 668 E C 1.649 178.235 176.600 -0.025 0.000 0.979 668 E CA 1.326 57.711 56.400 -0.025 0.000 0.803 668 E CB -0.042 29.638 29.700 -0.033 0.000 0.761 668 E HN 0.435 nan 8.360 nan 0.000 0.451 669 A N -0.487 122.312 122.820 -0.035 0.000 2.119 669 A HA -0.116 4.232 4.320 0.047 0.000 0.217 669 A C 2.033 179.724 177.584 0.179 0.000 1.153 669 A CA 0.897 52.987 52.037 0.089 0.000 0.692 669 A CB -0.605 18.378 19.000 -0.028 0.000 0.799 669 A HN 0.406 nan 8.150 nan 0.000 0.458 670 C N -0.322 119.057 119.300 0.132 0.000 2.539 670 C HA 0.071 4.559 4.460 0.047 0.000 0.271 670 C C 2.573 177.559 174.990 -0.006 0.000 1.412 670 C CA 0.735 59.870 59.018 0.195 0.000 1.729 670 C CB -1.473 26.426 27.740 0.265 0.000 1.739 670 C HN 0.795 nan 8.230 nan 0.000 0.570 671 R N 0.239 120.655 120.500 -0.140 0.000 2.225 671 R HA 0.162 4.530 4.340 0.047 0.000 0.194 671 R C 2.001 178.269 176.300 -0.054 0.000 0.957 671 R CA 0.230 56.200 56.100 -0.217 0.000 1.042 671 R CB -0.276 29.765 30.300 -0.432 0.000 1.004 671 R HN 0.302 nan 8.270 nan 0.000 0.509 672 R N 0.883 121.386 120.500 0.005 0.000 2.334 672 R HA 0.327 4.695 4.340 0.047 0.000 0.212 672 R C -0.375 175.955 176.300 0.050 0.000 0.897 672 R CA 0.245 56.365 56.100 0.032 0.000 1.056 672 R CB 0.735 31.058 30.300 0.039 0.000 1.046 672 R HN 0.227 nan 8.270 nan 0.000 0.513 673 A N -0.126 122.727 122.820 0.056 0.000 2.309 673 A HA 0.344 4.693 4.320 0.047 0.000 0.298 673 A C 0.474 178.045 177.584 -0.021 0.000 1.165 673 A CA -0.657 51.362 52.037 -0.030 0.000 0.821 673 A CB 0.550 19.469 19.000 -0.135 0.000 1.102 673 A HN 0.571 nan 8.150 nan 0.000 0.500 674 C N -0.680 118.567 119.300 -0.089 0.000 3.911 674 C HA 0.481 4.969 4.460 0.047 0.000 0.318 674 C C 0.298 175.177 174.990 -0.186 0.000 1.643 674 C CA -0.592 58.381 59.018 -0.075 0.000 1.845 674 C CB -1.367 26.339 27.740 -0.056 0.000 2.981 674 C HN 0.896 nan 8.230 nan 0.000 0.656 675 C N 2.271 121.392 119.300 -0.297 0.000 2.571 675 C HA 0.771 5.260 4.460 0.047 0.000 0.343 675 C C -1.387 173.435 174.990 -0.281 0.000 1.082 675 C CA -0.380 58.481 59.018 -0.262 0.000 1.339 675 C CB -0.912 26.613 27.740 -0.359 0.000 1.893 675 C HN 0.444 nan 8.230 nan 0.000 0.445 676 F N 4.327 124.241 119.950 -0.061 0.000 2.469 676 F HA 0.744 5.299 4.527 0.047 0.000 0.332 676 F C 0.588 176.372 175.800 -0.026 0.000 1.103 676 F CA -0.202 57.780 58.000 -0.031 0.000 0.979 676 F CB 1.863 40.809 39.000 -0.090 0.000 1.137 676 F HN 0.791 nan 8.300 nan 0.000 0.463 677 A N 2.937 125.862 122.820 0.176 0.000 2.371 677 A HA 0.776 5.124 4.320 0.047 0.000 0.311 677 A C -0.100 177.559 177.584 0.125 0.000 1.068 677 A CA -0.901 51.202 52.037 0.110 0.000 0.744 677 A CB 1.015 20.055 19.000 0.067 0.000 1.239 677 A HN 0.795 nan 8.150 nan 0.000 0.435 678 R N 0.043 120.602 120.500 0.098 0.000 3.422 678 R HA -0.134 4.234 4.340 0.047 0.000 0.267 678 R C 0.023 176.400 176.300 0.129 0.000 1.074 678 R CA 0.795 56.955 56.100 0.099 0.000 0.718 678 R CB -2.798 27.562 30.300 0.101 0.000 1.157 678 R HN 0.997 nan 8.270 nan 0.000 0.440 679 V N 0.820 120.809 119.914 0.125 0.000 3.139 679 V HA 0.017 4.166 4.120 0.047 0.000 0.307 679 V C 1.248 177.431 176.094 0.149 0.000 1.095 679 V CA 0.240 62.640 62.300 0.167 0.000 1.160 679 V CB 1.034 32.877 31.823 0.035 0.000 1.003 679 V HN 0.216 nan 8.190 nan 0.000 0.489 680 E N 5.968 126.309 120.200 0.235 0.000 2.314 680 E HA 0.302 4.680 4.350 0.047 0.000 0.262 680 E C -1.596 174.884 176.600 -0.200 0.000 1.093 680 E CA -1.569 54.723 56.400 -0.180 0.000 0.908 680 E CB 1.098 30.377 29.700 -0.703 0.000 1.091 680 E HN 0.563 nan 8.360 nan 0.000 0.425 681 P HA -0.205 nan 4.420 nan 0.000 0.214 681 P C 1.246 178.459 177.300 -0.144 0.000 1.163 681 P CA 1.877 64.893 63.100 -0.141 0.000 0.883 681 P CB 0.135 31.755 31.700 -0.133 0.000 0.788 682 S N -0.552 115.036 115.700 -0.187 0.000 2.359 682 S HA -0.258 4.240 4.470 0.047 0.000 0.224 682 S C 1.913 176.472 174.600 -0.068 0.000 1.035 682 S CA 1.347 59.468 58.200 -0.131 0.000 1.018 682 S CB -2.171 60.952 63.200 -0.129 0.000 0.876 682 S HN 0.308 nan 8.310 nan 0.000 0.448 683 H N 1.746 120.759 119.070 -0.094 0.000 2.278 683 H HA -0.223 4.362 4.556 0.047 0.000 0.287 683 H C 2.348 177.511 175.328 -0.275 0.000 1.107 683 H CA 1.853 57.796 56.048 -0.175 0.000 1.192 683 H CB -0.243 29.381 29.762 -0.231 0.000 1.346 683 H HN 0.385 nan 8.280 nan 0.000 0.478 684 K N 0.205 120.535 120.400 -0.116 0.000 2.144 684 K HA -0.225 4.123 4.320 0.047 0.000 0.209 684 K C 2.595 179.100 176.600 -0.158 0.000 1.047 684 K CA 1.548 57.728 56.287 -0.179 0.000 0.927 684 K CB -0.127 32.297 32.500 -0.127 0.000 0.716 684 K HN 0.106 nan 8.250 nan 0.000 0.454 685 S N 0.114 115.741 115.700 -0.122 0.000 2.345 685 S HA -0.099 4.399 4.470 0.047 0.000 0.219 685 S C 1.595 176.096 174.600 -0.165 0.000 1.031 685 S CA 1.246 59.376 58.200 -0.117 0.000 0.984 685 S CB -0.082 63.063 63.200 -0.092 0.000 0.874 685 S HN 0.287 nan 8.310 nan 0.000 0.451 686 K N 0.772 121.062 120.400 -0.183 0.000 2.059 686 K HA -0.136 4.212 4.320 0.047 0.000 0.212 686 K C 2.032 178.363 176.600 -0.449 0.000 1.050 686 K CA 1.953 58.030 56.287 -0.350 0.000 0.927 686 K CB -0.563 31.824 32.500 -0.189 0.000 0.714 686 K HN 0.452 nan 8.250 nan 0.000 0.447 687 I N 0.720 121.122 120.570 -0.280 0.000 2.118 687 I HA -0.336 3.862 4.170 0.047 0.000 0.241 687 I C 2.345 178.408 176.117 -0.091 0.000 1.070 687 I CA 1.340 62.525 61.300 -0.192 0.000 1.327 687 I CB -0.538 37.237 38.000 -0.374 0.000 1.034 687 I HN -0.026 nan 8.210 nan 0.000 0.405 688 V N 0.785 120.631 119.914 -0.114 0.000 2.255 688 V HA -0.301 3.848 4.120 0.047 0.000 0.247 688 V C 2.397 178.476 176.094 -0.025 0.000 1.051 688 V CA 2.061 64.329 62.300 -0.053 0.000 1.018 688 V CB -0.767 31.021 31.823 -0.058 0.000 0.641 688 V HN 0.444 nan 8.190 nan 0.000 0.445 689 E N -0.696 119.447 120.200 -0.096 0.000 2.068 689 E HA -0.299 4.079 4.350 0.047 0.000 0.207 689 E C 2.197 178.841 176.600 0.073 0.000 1.032 689 E CA 2.359 58.714 56.400 -0.076 0.000 0.839 689 E CB -0.394 29.179 29.700 -0.213 0.000 0.758 689 E HN 0.672 nan 8.360 nan 0.000 0.457 690 Y N 0.292 120.648 120.300 0.094 0.000 2.070 690 Y HA -0.204 4.375 4.550 0.047 0.000 0.280 690 Y C 2.342 178.346 175.900 0.174 0.000 1.148 690 Y CA 0.638 58.829 58.100 0.151 0.000 1.125 690 Y CB -0.979 37.569 38.460 0.145 0.000 0.975 690 Y HN 0.044 nan 8.280 nan 0.000 0.492 691 L N 0.268 121.643 121.223 0.252 0.000 2.051 691 L HA -0.288 4.080 4.340 0.047 0.000 0.214 691 L C 2.271 179.256 176.870 0.191 0.000 1.076 691 L CA 1.781 56.706 54.840 0.142 0.000 0.758 691 L CB -1.373 40.732 42.059 0.077 0.000 0.890 691 L HN 0.364 nan 8.230 nan 0.000 0.433 692 Q N -1.396 118.503 119.800 0.164 0.000 2.230 692 Q HA -0.099 4.269 4.340 0.047 0.000 0.202 692 Q C 1.928 178.030 176.000 0.170 0.000 0.963 692 Q CA 1.247 57.129 55.803 0.133 0.000 0.866 692 Q CB -0.105 28.680 28.738 0.078 0.000 0.931 692 Q HN 0.647 nan 8.270 nan 0.000 0.452 693 S N -0.878 114.973 115.700 0.251 0.000 2.727 693 S HA -0.060 4.439 4.470 0.047 0.000 0.226 693 S C 0.342 175.029 174.600 0.144 0.000 0.963 693 S CA 0.262 58.582 58.200 0.201 0.000 0.950 693 S CB 0.011 63.363 63.200 0.253 0.000 0.779 693 S HN 0.335 nan 8.310 nan 0.000 0.532 694 Y N 0.752 121.088 120.300 0.061 0.000 2.738 694 Y HA 0.275 4.853 4.550 0.047 0.000 0.249 694 Y C -0.171 175.750 175.900 0.035 0.000 1.153 694 Y CA -1.398 56.731 58.100 0.047 0.000 1.165 694 Y CB -0.090 38.403 38.460 0.056 0.000 1.235 694 Y HN 0.232 nan 8.280 nan 0.000 0.559 695 D N 0.669 121.153 120.400 0.141 0.000 2.792 695 D HA -0.237 4.431 4.640 0.047 0.000 0.231 695 D C -0.400 175.952 176.300 0.085 0.000 1.160 695 D CA 1.117 55.168 54.000 0.084 0.000 0.697 695 D CB -0.549 40.281 40.800 0.051 0.000 1.070 695 D HN 0.497 nan 8.370 nan 0.000 0.426 696 E N -0.022 120.244 120.200 0.109 0.000 2.134 696 E HA 0.310 4.689 4.350 0.047 0.000 0.278 696 E C 0.020 176.647 176.600 0.045 0.000 0.959 696 E CA -1.031 55.414 56.400 0.075 0.000 0.783 696 E CB 1.015 30.765 29.700 0.083 0.000 1.095 696 E HN 0.075 nan 8.360 nan 0.000 0.399 697 I N 3.791 124.373 120.570 0.020 0.000 2.483 697 I HA -0.034 4.164 4.170 0.047 0.000 0.291 697 I C 0.272 176.392 176.117 0.005 0.000 1.112 697 I CA 0.455 61.756 61.300 0.002 0.000 1.350 697 I CB -0.099 37.888 38.000 -0.022 0.000 1.419 697 I HN 0.328 nan 8.210 nan 0.000 0.523 698 T N 4.309 118.868 114.554 0.009 0.000 2.867 698 T HA 0.817 5.195 4.350 0.047 0.000 0.282 698 T C -0.071 174.628 174.700 -0.001 0.000 1.000 698 T CA -0.911 61.194 62.100 0.009 0.000 1.042 698 T CB 1.695 70.571 68.868 0.014 0.000 0.973 698 T HN 0.600 nan 8.240 nan 0.000 0.465 699 A N 3.126 125.949 122.820 0.004 0.000 2.287 699 A HA 0.727 5.075 4.320 0.047 0.000 0.317 699 A C -0.426 177.162 177.584 0.007 0.000 1.220 699 A CA -0.810 51.227 52.037 -0.001 0.000 0.835 699 A CB 0.789 19.787 19.000 -0.003 0.000 1.180 699 A HN 0.777 nan 8.150 nan 0.000 0.500 700 M N 2.268 121.866 119.600 -0.004 0.000 2.537 700 M HA 0.683 5.192 4.480 0.047 0.000 0.324 700 M C 0.066 176.364 176.300 -0.002 0.000 1.187 700 M CA 0.044 55.338 55.300 -0.009 0.000 0.993 700 M CB 1.856 34.440 32.600 -0.027 0.000 1.666 700 M HN 0.676 nan 8.290 nan 0.000 0.461 701 T N 1.422 115.976 114.554 0.000 0.000 2.858 701 T HA 0.944 5.322 4.350 0.047 0.000 0.285 701 T C -0.745 173.950 174.700 -0.007 0.000 1.052 701 T CA 0.239 62.344 62.100 0.007 0.000 1.009 701 T CB 1.100 69.990 68.868 0.036 0.000 1.241 701 T HN 1.388 nan 8.240 nan 0.000 0.542 702 G N 1.350 110.148 108.800 -0.004 0.000 2.459 702 G HA2 0.295 4.283 3.960 0.047 0.000 0.685 702 G HA3 0.295 4.283 3.960 0.047 0.000 0.685 702 G C -1.542 173.350 174.900 -0.013 0.000 1.303 702 G CA 0.022 45.114 45.100 -0.013 0.000 0.907 702 G HN 0.982 nan 8.290 nan 0.000 0.632 703 D N -0.665 119.726 120.400 -0.016 0.000 2.732 703 D HA 0.771 5.440 4.640 0.047 0.000 0.292 703 D C 0.467 176.752 176.300 -0.024 0.000 1.135 703 D CA 0.126 54.117 54.000 -0.014 0.000 1.071 703 D CB 1.559 42.356 40.800 -0.006 0.000 1.457 703 D HN 2.455 nan 8.370 nan 0.000 0.547 704 G N -0.940 107.847 108.800 -0.023 0.000 2.785 704 G HA2 -0.080 3.909 3.960 0.047 0.000 0.686 704 G HA3 -0.080 3.909 3.960 0.047 0.000 0.686 704 G C 0.849 175.723 174.900 -0.043 0.000 1.155 704 G CA -0.101 44.975 45.100 -0.040 0.000 0.760 704 G HN 1.216 nan 8.290 nan 0.000 0.624 705 V N -0.297 119.585 119.914 -0.054 0.000 2.568 705 V HA -0.239 3.910 4.120 0.047 0.000 0.253 705 V C 2.238 178.295 176.094 -0.062 0.000 1.072 705 V CA 2.649 64.920 62.300 -0.048 0.000 1.084 705 V CB -0.992 30.798 31.823 -0.056 0.000 0.676 705 V HN 0.762 nan 8.190 nan 0.000 0.469 706 N N 0.909 119.561 118.700 -0.080 0.000 2.192 706 N HA -0.186 4.582 4.740 0.047 0.000 0.188 706 N C 1.179 176.646 175.510 -0.071 0.000 1.013 706 N CA 1.621 54.618 53.050 -0.088 0.000 0.863 706 N CB -0.212 38.218 38.487 -0.095 0.000 0.990 706 N HN 0.595 nan 8.380 nan 0.000 0.430 707 D N -0.274 120.091 120.400 -0.057 0.000 2.349 707 D HA 0.160 4.829 4.640 0.047 0.000 0.214 707 D C 1.611 177.885 176.300 -0.042 0.000 1.063 707 D CA -0.005 53.965 54.000 -0.051 0.000 0.847 707 D CB 0.002 40.775 40.800 -0.044 0.000 0.933 707 D HN 0.187 nan 8.370 nan 0.000 0.513 708 A N 2.285 125.083 122.820 -0.037 0.000 1.884 708 A HA -0.179 4.170 4.320 0.047 0.000 0.219 708 A C -0.282 177.284 177.584 -0.030 0.000 1.197 708 A CA 1.602 53.623 52.037 -0.027 0.000 0.637 708 A CB -1.568 17.420 19.000 -0.020 0.000 0.827 708 A HN 0.185 nan 8.150 nan 0.000 0.450 709 P HA -0.190 nan 4.420 nan 0.000 0.208 709 P C 1.871 179.147 177.300 -0.040 0.000 1.189 709 P CA 2.184 65.262 63.100 -0.037 0.000 0.931 709 P CB -0.335 31.338 31.700 -0.044 0.000 0.783 710 A N -0.301 122.489 122.820 -0.050 0.000 1.883 710 A HA -0.301 4.047 4.320 0.047 0.000 0.222 710 A C 2.311 179.870 177.584 -0.042 0.000 1.339 710 A CA 2.687 54.691 52.037 -0.054 0.000 0.692 710 A CB -1.925 17.037 19.000 -0.063 0.000 0.845 710 A HN 0.119 nan 8.150 nan 0.000 0.467 711 L N -0.915 120.286 121.223 -0.037 0.000 1.991 711 L HA -0.333 4.035 4.340 0.047 0.000 0.221 711 L C 2.745 179.599 176.870 -0.026 0.000 1.079 711 L CA 2.487 57.309 54.840 -0.029 0.000 0.778 711 L CB -0.638 41.407 42.059 -0.024 0.000 0.893 711 L HN 0.607 nan 8.230 nan 0.000 0.437 712 K N 0.563 120.948 120.400 -0.025 0.000 2.001 712 K HA -0.289 4.060 4.320 0.047 0.000 0.214 712 K C 2.222 178.808 176.600 -0.023 0.000 1.050 712 K CA 2.092 58.366 56.287 -0.022 0.000 0.934 712 K CB -0.122 32.367 32.500 -0.019 0.000 0.718 712 K HN 0.085 nan 8.250 nan 0.000 0.443 713 K N 0.454 120.838 120.400 -0.026 0.000 2.032 713 K HA -0.169 4.179 4.320 0.047 0.000 0.218 713 K C 0.303 176.890 176.600 -0.022 0.000 1.054 713 K CA 1.488 57.759 56.287 -0.026 0.000 0.941 713 K CB -0.482 31.996 32.500 -0.036 0.000 0.720 713 K HN 0.316 nan 8.250 nan 0.000 0.449 714 A N 1.216 124.021 122.820 -0.025 0.000 2.531 714 A HA -0.030 4.318 4.320 0.047 0.000 0.236 714 A C 0.668 178.241 177.584 -0.018 0.000 1.062 714 A CA 0.045 52.070 52.037 -0.020 0.000 0.760 714 A CB 0.232 19.218 19.000 -0.023 0.000 0.995 714 A HN 0.473 nan 8.150 nan 0.000 0.501 715 E N 0.917 121.109 120.200 -0.014 0.000 2.097 715 E HA -0.144 4.234 4.350 0.047 0.000 0.196 715 E C 0.021 176.607 176.600 -0.023 0.000 1.000 715 E CA 1.690 58.079 56.400 -0.018 0.000 0.804 715 E CB -0.185 29.504 29.700 -0.018 0.000 0.740 715 E HN 0.659 nan 8.360 nan 0.000 0.454 716 I N 0.449 121.006 120.570 -0.022 0.000 2.466 716 I HA 0.325 4.524 4.170 0.047 0.000 0.279 716 I C 0.185 176.289 176.117 -0.022 0.000 1.033 716 I CA -0.859 60.425 61.300 -0.025 0.000 1.123 716 I CB 1.770 39.752 38.000 -0.029 0.000 1.237 716 I HN -0.066 nan 8.210 nan 0.000 0.460 717 G N 6.880 115.666 108.800 -0.023 0.000 2.395 717 G HA2 0.732 4.720 3.960 0.047 0.000 0.283 717 G HA3 0.732 4.720 3.960 0.047 0.000 0.283 717 G C -0.598 174.290 174.900 -0.020 0.000 1.178 717 G CA -0.297 44.791 45.100 -0.021 0.000 0.837 717 G HN 0.520 nan 8.290 nan 0.000 0.518 718 I N 1.468 122.029 120.570 -0.015 0.000 2.478 718 I HA 0.486 4.685 4.170 0.047 0.000 0.287 718 I C 0.461 176.574 176.117 -0.007 0.000 1.042 718 I CA -0.704 60.589 61.300 -0.012 0.000 1.067 718 I CB 2.008 40.004 38.000 -0.006 0.000 1.233 718 I HN 0.631 nan 8.210 nan 0.000 0.431 719 A N 7.180 129.995 122.820 -0.009 0.000 2.420 719 A HA 0.953 5.302 4.320 0.047 0.000 0.291 719 A C -0.483 177.100 177.584 -0.001 0.000 1.228 719 A CA -0.616 51.418 52.037 -0.005 0.000 0.933 719 A CB 1.089 20.086 19.000 -0.005 0.000 1.428 719 A HN 0.577 nan 8.150 nan 0.000 0.493 720 M N -0.266 119.335 119.600 0.001 0.000 2.535 720 M HA 0.332 4.840 4.480 0.047 0.000 0.314 720 M C 1.384 177.684 176.300 0.001 0.000 1.153 720 M CA -0.435 54.867 55.300 0.004 0.000 0.924 720 M CB 0.707 33.312 32.600 0.008 0.000 1.710 720 M HN 0.896 nan 8.290 nan 0.000 0.451 721 G N 1.123 109.923 108.800 -0.000 0.000 2.505 721 G HA2 -0.225 3.763 3.960 0.047 0.000 0.220 721 G HA3 -0.225 3.763 3.960 0.047 0.000 0.220 721 G C 1.270 176.170 174.900 0.000 0.000 1.145 721 G CA 1.682 46.781 45.100 -0.002 0.000 0.761 721 G HN 0.761 nan 8.290 nan 0.000 0.571 722 S N 0.362 116.063 115.700 0.002 0.000 2.496 722 S HA 0.312 4.810 4.470 0.047 0.000 0.224 722 S C 1.580 176.184 174.600 0.006 0.000 0.996 722 S CA 0.349 58.550 58.200 0.003 0.000 0.927 722 S CB -0.205 62.996 63.200 0.002 0.000 0.774 722 S HN 0.569 nan 8.310 nan 0.000 0.524 723 G N 2.330 111.134 108.800 0.006 0.000 2.732 723 G HA2 0.338 4.326 3.960 0.047 0.000 0.244 723 G HA3 0.338 4.326 3.960 0.047 0.000 0.244 723 G C 0.287 175.197 174.900 0.017 0.000 1.226 723 G CA 0.176 45.280 45.100 0.008 0.000 0.860 723 G HN 0.530 nan 8.290 nan 0.000 0.583 724 T N -1.874 112.692 114.554 0.021 0.000 2.795 724 T HA 0.345 4.723 4.350 0.047 0.000 0.314 724 T C 1.770 176.507 174.700 0.062 0.000 1.069 724 T CA 0.662 62.790 62.100 0.047 0.000 1.071 724 T CB 0.922 69.814 68.868 0.039 0.000 0.988 724 T HN 1.071 nan 8.240 nan 0.000 0.543 725 A N 1.831 124.717 122.820 0.110 0.000 1.873 725 A HA 0.048 4.396 4.320 0.047 0.000 0.215 725 A C 2.506 180.136 177.584 0.076 0.000 1.186 725 A CA 1.721 53.809 52.037 0.084 0.000 0.616 725 A CB -1.137 17.913 19.000 0.084 0.000 0.823 725 A HN 0.813 nan 8.150 nan 0.000 0.442 726 V N -0.050 119.942 119.914 0.129 0.000 2.358 726 V HA -0.212 3.937 4.120 0.047 0.000 0.246 726 V C 3.024 179.143 176.094 0.042 0.000 1.047 726 V CA 1.771 64.127 62.300 0.092 0.000 1.035 726 V CB -1.402 30.499 31.823 0.129 0.000 0.658 726 V HN 0.592 nan 8.190 nan 0.000 0.452 727 A N -0.148 122.691 122.820 0.032 0.000 1.978 727 A HA -0.265 4.083 4.320 0.047 0.000 0.220 727 A C 2.319 179.905 177.584 0.004 0.000 1.170 727 A CA 2.134 54.176 52.037 0.009 0.000 0.636 727 A CB -0.415 18.587 19.000 0.003 0.000 0.810 727 A HN 0.578 nan 8.150 nan 0.000 0.448 728 K N -1.026 119.380 120.400 0.009 0.000 2.007 728 K HA -0.099 4.249 4.320 0.047 0.000 0.206 728 K C 2.347 178.943 176.600 -0.007 0.000 1.047 728 K CA 1.673 57.959 56.287 -0.002 0.000 0.937 728 K CB -0.498 32.001 32.500 -0.002 0.000 0.718 728 K HN 0.639 nan 8.250 nan 0.000 0.438 729 T N -0.390 114.162 114.554 -0.002 0.000 2.897 729 T HA -0.118 4.260 4.350 0.047 0.000 0.271 729 T C 1.749 176.443 174.700 -0.010 0.000 1.084 729 T CA 1.318 63.413 62.100 -0.008 0.000 1.123 729 T CB -0.150 68.716 68.868 -0.004 0.000 0.865 729 T HN 0.191 nan 8.240 nan 0.000 0.496 730 A N 0.943 123.759 122.820 -0.006 0.000 2.238 730 A HA 0.452 4.801 4.320 0.047 0.000 0.210 730 A C 1.513 179.088 177.584 -0.016 0.000 1.179 730 A CA 0.268 52.299 52.037 -0.010 0.000 0.827 730 A CB -0.152 18.843 19.000 -0.008 0.000 0.856 730 A HN 0.707 nan 8.150 nan 0.000 0.488 731 S N -0.924 114.766 115.700 -0.017 0.000 2.713 731 S HA 0.535 5.033 4.470 0.047 0.000 0.283 731 S C 0.130 174.714 174.600 -0.026 0.000 1.161 731 S CA -0.383 57.804 58.200 -0.020 0.000 0.999 731 S CB 1.400 64.589 63.200 -0.019 0.000 1.039 731 S HN 0.201 nan 8.310 nan 0.000 0.548 732 E N -0.272 119.910 120.200 -0.029 0.000 2.489 732 E HA 0.358 4.736 4.350 0.047 0.000 0.204 732 E C -0.035 176.542 176.600 -0.039 0.000 1.006 732 E CA 0.050 56.429 56.400 -0.035 0.000 0.936 732 E CB 0.530 30.210 29.700 -0.034 0.000 1.002 732 E HN 0.662 nan 8.360 nan 0.000 0.488 733 M N 0.391 119.970 119.600 -0.035 0.000 2.414 733 M HA 0.357 4.866 4.480 0.047 0.000 0.287 733 M C -1.976 174.305 176.300 -0.031 0.000 1.181 733 M CA -0.679 54.598 55.300 -0.038 0.000 0.933 733 M CB 1.604 34.179 32.600 -0.041 0.000 1.732 733 M HN -0.242 nan 8.290 nan 0.000 0.486 734 V N 4.262 124.157 119.914 -0.032 0.000 2.919 734 V HA 0.633 4.781 4.120 0.047 0.000 0.316 734 V C -0.718 175.361 176.094 -0.025 0.000 1.077 734 V CA -0.812 61.473 62.300 -0.025 0.000 0.977 734 V CB 2.149 33.958 31.823 -0.023 0.000 1.039 734 V HN 0.811 nan 8.190 nan 0.000 0.441 735 L N 2.031 123.243 121.223 -0.018 0.000 2.325 735 L HA 0.573 4.941 4.340 0.047 0.000 0.281 735 L C 1.110 177.973 176.870 -0.012 0.000 1.004 735 L CA -0.571 54.258 54.840 -0.018 0.000 0.823 735 L CB 1.622 43.674 42.059 -0.011 0.000 1.236 735 L HN 0.789 nan 8.230 nan 0.000 0.415 736 A N 2.136 124.947 122.820 -0.015 0.000 1.929 736 A HA -0.138 4.210 4.320 0.047 0.000 0.216 736 A C 1.412 178.993 177.584 -0.005 0.000 1.176 736 A CA 1.590 53.620 52.037 -0.011 0.000 0.628 736 A CB -0.253 18.738 19.000 -0.014 0.000 0.816 736 A HN 0.881 nan 8.150 nan 0.000 0.444 737 D N -1.286 119.112 120.400 -0.004 0.000 2.340 737 D HA 0.130 4.799 4.640 0.047 0.000 0.217 737 D C -0.367 175.941 176.300 0.012 0.000 1.081 737 D CA 0.611 54.613 54.000 0.004 0.000 0.842 737 D CB -0.663 40.139 40.800 0.004 0.000 0.934 737 D HN 0.439 nan 8.370 nan 0.000 0.511 738 D N -0.563 119.844 120.400 0.012 0.000 3.059 738 D HA -0.245 4.424 4.640 0.047 0.000 0.222 738 D C -0.029 176.297 176.300 0.043 0.000 1.185 738 D CA 0.875 54.889 54.000 0.023 0.000 0.904 738 D CB -1.440 39.374 40.800 0.023 0.000 1.122 738 D HN 0.319 nan 8.370 nan 0.000 0.410 739 N N -0.231 118.491 118.700 0.038 0.000 2.520 739 N HA 0.105 4.874 4.740 0.047 0.000 0.273 739 N C 0.469 176.031 175.510 0.088 0.000 1.155 739 N CA -0.197 52.892 53.050 0.064 0.000 0.967 739 N CB 0.510 39.019 38.487 0.038 0.000 1.092 739 N HN 0.052 nan 8.380 nan 0.000 0.457 740 F N 3.330 123.274 119.950 -0.009 0.000 2.293 740 F HA -0.061 4.494 4.527 0.048 0.000 0.300 740 F C 1.987 177.781 175.800 -0.011 0.000 1.086 740 F CA 1.032 59.025 58.000 -0.011 0.000 1.375 740 F CB -0.039 38.953 39.000 -0.013 0.000 1.045 740 F HN 0.484 nan 8.300 nan 0.000 0.516 741 S N -0.409 115.259 115.700 -0.054 0.000 2.419 741 S HA -0.208 4.291 4.470 0.047 0.000 0.233 741 S C 2.116 176.601 174.600 -0.192 0.000 1.016 741 S CA 1.603 59.720 58.200 -0.140 0.000 0.974 741 S CB -0.927 62.270 63.200 -0.004 0.000 0.786 741 S HN 0.705 nan 8.310 nan 0.000 0.492 742 T N 0.402 114.867 114.554 -0.149 0.000 2.985 742 T HA 0.161 4.539 4.350 0.047 0.000 0.266 742 T C 1.663 176.262 174.700 -0.169 0.000 1.076 742 T CA 0.382 62.408 62.100 -0.124 0.000 1.135 742 T CB -0.535 68.288 68.868 -0.075 0.000 0.890 742 T HN 0.351 nan 8.240 nan 0.000 0.480 743 I N 1.180 121.598 120.570 -0.253 0.000 2.286 743 I HA -0.131 4.067 4.170 0.047 0.000 0.248 743 I C 2.592 178.557 176.117 -0.253 0.000 1.115 743 I CA 0.853 62.005 61.300 -0.246 0.000 1.392 743 I CB -0.336 37.478 38.000 -0.309 0.000 1.065 743 I HN 0.174 nan 8.210 nan 0.000 0.418 744 V N 1.016 120.727 119.914 -0.338 0.000 2.244 744 V HA -0.280 3.868 4.120 0.047 0.000 0.244 744 V C 2.788 178.797 176.094 -0.142 0.000 1.042 744 V CA 1.909 64.067 62.300 -0.236 0.000 1.006 744 V CB -1.236 30.445 31.823 -0.236 0.000 0.641 744 V HN 0.480 nan 8.190 nan 0.000 0.446 745 A N 0.457 123.200 122.820 -0.127 0.000 1.896 745 A HA -0.318 4.030 4.320 0.047 0.000 0.220 745 A C 2.430 179.968 177.584 -0.077 0.000 1.206 745 A CA 3.062 55.048 52.037 -0.085 0.000 0.647 745 A CB -1.147 17.809 19.000 -0.074 0.000 0.828 745 A HN 0.685 nan 8.150 nan 0.000 0.455 746 A N -1.057 121.710 122.820 -0.088 0.000 1.940 746 A HA -0.001 4.347 4.320 0.047 0.000 0.219 746 A C 2.235 179.777 177.584 -0.069 0.000 1.176 746 A CA 1.900 53.891 52.037 -0.075 0.000 0.631 746 A CB -0.891 18.061 19.000 -0.079 0.000 0.814 746 A HN 0.499 nan 8.150 nan 0.000 0.446 747 V N -0.271 119.595 119.914 -0.079 0.000 2.427 747 V HA -0.232 3.917 4.120 0.047 0.000 0.248 747 V C 2.455 178.520 176.094 -0.048 0.000 1.051 747 V CA 2.235 64.496 62.300 -0.064 0.000 1.048 747 V CB -0.594 31.186 31.823 -0.071 0.000 0.666 747 V HN 0.766 nan 8.190 nan 0.000 0.456 748 E N 0.232 120.402 120.200 -0.049 0.000 2.008 748 E HA -0.271 4.107 4.350 0.047 0.000 0.191 748 E C 2.219 178.801 176.600 -0.029 0.000 0.986 748 E CA 1.393 57.773 56.400 -0.034 0.000 0.807 748 E CB -0.104 29.575 29.700 -0.036 0.000 0.766 748 E HN 0.543 nan 8.360 nan 0.000 0.450 749 E N 0.077 120.255 120.200 -0.038 0.000 2.086 749 E HA -0.197 4.181 4.350 0.047 0.000 0.205 749 E C 1.860 178.442 176.600 -0.031 0.000 1.027 749 E CA 2.062 58.439 56.400 -0.039 0.000 0.830 749 E CB -0.902 28.769 29.700 -0.050 0.000 0.751 749 E HN 0.360 nan 8.360 nan 0.000 0.456 750 G N -0.391 108.391 108.800 -0.030 0.000 2.509 750 G HA2 -0.266 3.722 3.960 0.047 0.000 0.218 750 G HA3 -0.266 3.722 3.960 0.047 0.000 0.218 750 G C 1.688 176.596 174.900 0.013 0.000 1.124 750 G CA 0.579 45.670 45.100 -0.015 0.000 0.776 750 G HN 0.200 nan 8.290 nan 0.000 0.547 751 R N -0.090 120.413 120.500 0.005 0.000 2.236 751 R HA 0.195 4.564 4.340 0.047 0.000 0.208 751 R C 2.658 178.988 176.300 0.049 0.000 1.036 751 R CA 0.842 56.959 56.100 0.028 0.000 1.001 751 R CB -0.016 30.289 30.300 0.008 0.000 0.896 751 R HN 0.337 nan 8.270 nan 0.000 0.464 752 A N 0.795 123.629 122.820 0.022 0.000 1.911 752 A HA -0.014 4.334 4.320 0.047 0.000 0.212 752 A C 1.864 179.458 177.584 0.017 0.000 1.189 752 A CA 0.380 52.424 52.037 0.012 0.000 0.639 752 A CB -0.101 18.890 19.000 -0.014 0.000 0.839 752 A HN 0.098 nan 8.150 nan 0.000 0.449 753 I N -0.948 119.631 120.570 0.016 0.000 2.118 753 I HA -0.267 3.932 4.170 0.047 0.000 0.241 753 I C 2.398 178.555 176.117 0.067 0.000 1.070 753 I CA 1.770 63.083 61.300 0.022 0.000 1.327 753 I CB -1.557 36.452 38.000 0.014 0.000 1.034 753 I HN 0.545 nan 8.210 nan 0.000 0.405 754 Y N 2.287 122.572 120.300 -0.026 0.000 2.333 754 Y HA -0.202 4.378 4.550 0.049 0.000 0.290 754 Y C 2.394 178.274 175.900 -0.033 0.000 1.144 754 Y CA 1.361 59.442 58.100 -0.032 0.000 1.228 754 Y CB -0.296 38.143 38.460 -0.034 0.000 0.985 754 Y HN 0.237 nan 8.280 nan 0.000 0.542 755 N N 0.340 119.033 118.700 -0.010 0.000 2.080 755 N HA -0.187 4.581 4.740 0.047 0.000 0.189 755 N C 1.398 176.840 175.510 -0.114 0.000 1.036 755 N CA 1.458 54.464 53.050 -0.075 0.000 0.846 755 N CB -0.557 37.927 38.487 -0.004 0.000 1.015 755 N HN 0.436 nan 8.380 nan 0.000 0.423 756 N N 1.138 119.811 118.700 -0.045 0.000 2.149 756 N HA -0.097 4.671 4.740 0.047 0.000 0.188 756 N C 1.841 177.370 175.510 0.033 0.000 1.019 756 N CA 0.849 53.909 53.050 0.016 0.000 0.857 756 N CB -0.260 38.257 38.487 0.050 0.000 0.997 756 N HN 0.363 nan 8.380 nan 0.000 0.426 757 M N 0.923 120.477 119.600 -0.077 0.000 2.086 757 M HA -0.126 4.382 4.480 0.047 0.000 0.261 757 M C 2.100 178.019 176.300 -0.634 0.000 1.067 757 M CA 1.267 56.330 55.300 -0.396 0.000 1.116 757 M CB -0.362 32.054 32.600 -0.306 0.000 1.348 757 M HN 0.041 nan 8.290 nan 0.000 0.407 758 K N -0.007 120.059 120.400 -0.557 0.000 2.442 758 K HA -0.228 4.120 4.320 0.047 0.000 0.199 758 K C 1.830 178.256 176.600 -0.290 0.000 1.044 758 K CA 1.287 57.283 56.287 -0.485 0.000 0.941 758 K CB 0.201 32.422 32.500 -0.465 0.000 0.759 758 K HN 0.196 nan 8.250 nan 0.000 0.472 759 Q N -0.429 119.240 119.800 -0.219 0.000 2.252 759 Q HA -0.001 4.367 4.340 0.047 0.000 0.195 759 Q C 1.747 177.740 176.000 -0.011 0.000 0.974 759 Q CA 1.304 57.068 55.803 -0.065 0.000 0.846 759 Q CB -0.311 28.424 28.738 -0.005 0.000 0.943 759 Q HN 0.370 nan 8.270 nan 0.000 0.516 760 F N -0.438 119.503 119.950 -0.014 0.000 2.293 760 F HA 0.054 4.608 4.527 0.044 0.000 0.300 760 F C 1.477 177.302 175.800 0.041 0.000 1.086 760 F CA 0.920 58.969 58.000 0.082 0.000 1.375 760 F CB -0.496 38.531 39.000 0.045 0.000 1.045 760 F HN 0.065 nan 8.300 nan 0.000 0.516 761 I N 0.504 120.515 120.570 -0.933 0.000 2.546 761 I HA -0.107 4.091 4.170 0.047 0.000 0.255 761 I C 2.133 177.983 176.117 -0.446 0.000 1.163 761 I CA 0.893 61.742 61.300 -0.752 0.000 1.457 761 I CB -0.392 37.095 38.000 -0.855 0.000 1.092 761 I HN 0.144 nan 8.210 nan 0.000 0.434 762 R N -0.872 119.397 120.500 -0.385 0.000 2.300 762 R HA -0.028 4.340 4.340 0.047 0.000 0.199 762 R C 1.897 177.906 176.300 -0.484 0.000 0.920 762 R CA 0.331 56.119 56.100 -0.520 0.000 1.046 762 R CB 0.092 30.127 30.300 -0.442 0.000 0.984 762 R HN 0.368 nan 8.270 nan 0.000 0.493 763 Y N 0.733 120.887 120.300 -0.243 0.000 2.230 763 Y HA 0.069 4.643 4.550 0.039 0.000 0.294 763 Y C 1.723 177.580 175.900 -0.073 0.000 1.120 763 Y CA 0.658 58.708 58.100 -0.085 0.000 1.129 763 Y CB -0.296 38.181 38.460 0.029 0.000 1.040 763 Y HN -0.080 nan 8.280 nan 0.000 0.519 764 L N 1.294 122.308 121.223 -0.348 0.000 2.642 764 L HA -0.049 4.319 4.340 0.047 0.000 0.236 764 L C 1.601 178.303 176.870 -0.281 0.000 1.169 764 L CA 1.234 55.841 54.840 -0.390 0.000 0.851 764 L CB -0.388 41.668 42.059 -0.005 0.000 0.968 764 L HN 0.612 nan 8.230 nan 0.000 0.453 765 I N -6.086 114.313 120.570 -0.285 0.000 3.526 765 I HA 0.047 4.245 4.170 0.047 0.000 0.294 765 I C 2.300 178.300 176.117 -0.195 0.000 1.229 765 I CA 0.538 61.718 61.300 -0.200 0.000 1.408 765 I CB -0.177 37.704 38.000 -0.198 0.000 1.127 765 I HN -0.015 nan 8.210 nan 0.000 0.439 766 S N 1.842 117.387 115.700 -0.259 0.000 2.419 766 S HA -0.189 4.309 4.470 0.047 0.000 0.233 766 S C 2.249 176.781 174.600 -0.114 0.000 1.016 766 S CA 1.972 60.089 58.200 -0.138 0.000 0.974 766 S CB -0.548 62.638 63.200 -0.024 0.000 0.786 766 S HN 0.781 nan 8.310 nan 0.000 0.492 767 S N 1.322 116.912 115.700 -0.182 0.000 2.368 767 S HA -0.060 4.439 4.470 0.047 0.000 0.224 767 S C 1.555 176.107 174.600 -0.081 0.000 1.029 767 S CA 1.372 59.490 58.200 -0.137 0.000 0.988 767 S CB -0.967 62.120 63.200 -0.188 0.000 0.838 767 S HN 0.697 nan 8.310 nan 0.000 0.462 768 N N 1.316 119.969 118.700 -0.078 0.000 2.309 768 N HA 0.005 4.773 4.740 0.047 0.000 0.182 768 N C 1.552 177.045 175.510 -0.029 0.000 1.018 768 N CA 1.142 54.169 53.050 -0.038 0.000 0.876 768 N CB -0.374 38.101 38.487 -0.020 0.000 0.972 768 N HN 0.310 nan 8.380 nan 0.000 0.434 769 V N 0.351 120.241 119.914 -0.039 0.000 2.270 769 V HA -0.138 4.011 4.120 0.047 0.000 0.245 769 V C 2.456 178.530 176.094 -0.033 0.000 1.043 769 V CA 2.102 64.378 62.300 -0.040 0.000 1.014 769 V CB -1.350 30.443 31.823 -0.050 0.000 0.645 769 V HN 0.390 nan 8.190 nan 0.000 0.447 770 G N -0.159 108.624 108.800 -0.028 0.000 2.514 770 G HA2 -0.279 3.710 3.960 0.047 0.000 0.217 770 G HA3 -0.279 3.710 3.960 0.047 0.000 0.217 770 G C 1.421 176.320 174.900 -0.002 0.000 1.198 770 G CA 1.060 46.150 45.100 -0.017 0.000 0.780 770 G HN 0.581 nan 8.290 nan 0.000 0.565 771 E N -0.161 120.037 120.200 -0.003 0.000 2.171 771 E HA -0.128 4.251 4.350 0.047 0.000 0.197 771 E C 2.661 179.280 176.600 0.031 0.000 0.997 771 E CA 1.004 57.413 56.400 0.015 0.000 0.810 771 E CB -0.132 29.576 29.700 0.012 0.000 0.738 771 E HN 0.347 nan 8.360 nan 0.000 0.467 772 V N 0.525 120.449 119.914 0.017 0.000 2.283 772 V HA -0.217 3.932 4.120 0.047 0.000 0.243 772 V C 2.320 178.453 176.094 0.065 0.000 1.039 772 V CA 1.303 63.617 62.300 0.023 0.000 1.016 772 V CB -0.322 31.485 31.823 -0.025 0.000 0.650 772 V HN 0.134 nan 8.190 nan 0.000 0.449 773 V N -0.504 119.435 119.914 0.042 0.000 2.380 773 V HA -0.369 3.780 4.120 0.047 0.000 0.251 773 V C 2.577 178.775 176.094 0.172 0.000 1.063 773 V CA 2.280 64.646 62.300 0.111 0.000 1.055 773 V CB -0.974 30.881 31.823 0.054 0.000 0.657 773 V HN 0.791 nan 8.190 nan 0.000 0.455 774 C N 0.461 119.821 119.300 0.100 0.000 2.418 774 C HA -0.173 4.315 4.460 0.047 0.000 0.280 774 C C 2.577 177.639 174.990 0.121 0.000 1.223 774 C CA 1.251 60.321 59.018 0.088 0.000 1.736 774 C CB -1.024 26.748 27.740 0.054 0.000 2.056 774 C HN 0.532 nan 8.230 nan 0.000 0.459 775 I N 0.642 121.286 120.570 0.124 0.000 2.423 775 I HA -0.094 4.104 4.170 0.047 0.000 0.254 775 I C 2.238 178.465 176.117 0.183 0.000 1.151 775 I CA 1.369 62.746 61.300 0.129 0.000 1.421 775 I CB -1.897 36.167 38.000 0.107 0.000 1.079 775 I HN 0.379 nan 8.210 nan 0.000 0.431 776 F N 1.966 121.937 119.950 0.036 0.000 1.988 776 F HA -0.228 4.326 4.527 0.044 0.000 0.296 776 F C 2.442 178.273 175.800 0.051 0.000 1.178 776 F CA 1.739 59.763 58.000 0.040 0.000 1.174 776 F CB -0.841 38.178 39.000 0.031 0.000 0.963 776 F HN -0.108 nan 8.300 nan 0.000 0.489 777 L N -0.564 120.668 121.223 0.014 0.000 1.971 777 L HA -0.294 4.074 4.340 0.047 0.000 0.215 777 L C 2.469 179.319 176.870 -0.033 0.000 1.072 777 L CA 2.243 57.028 54.840 -0.091 0.000 0.758 777 L CB -1.427 40.641 42.059 0.016 0.000 0.889 777 L HN 0.268 nan 8.230 nan 0.000 0.433 778 T N -1.046 113.532 114.554 0.039 0.000 3.026 778 T HA -0.139 4.239 4.350 0.047 0.000 0.271 778 T C 1.375 176.132 174.700 0.094 0.000 1.149 778 T CA 1.265 63.407 62.100 0.070 0.000 1.088 778 T CB 0.028 68.951 68.868 0.091 0.000 0.857 778 T HN 0.490 nan 8.240 nan 0.000 0.551 779 A N -0.622 122.240 122.820 0.070 0.000 2.013 779 A HA 0.724 5.072 4.320 0.047 0.000 0.204 779 A C 2.300 179.928 177.584 0.073 0.000 1.262 779 A CA 0.856 52.973 52.037 0.133 0.000 0.800 779 A CB -0.685 18.387 19.000 0.121 0.000 0.909 779 A HN 0.507 nan 8.150 nan 0.000 0.472 780 A N 0.404 123.182 122.820 -0.069 0.000 1.903 780 A HA 0.352 4.701 4.320 0.047 0.000 0.217 780 A C 0.822 178.360 177.584 -0.076 0.000 1.387 780 A CA 0.356 52.321 52.037 -0.119 0.000 0.604 780 A CB -1.057 17.744 19.000 -0.333 0.000 1.043 780 A HN 0.396 nan 8.150 nan 0.000 0.481 781 L N 1.486 122.644 121.223 -0.108 0.000 2.774 781 L HA 0.316 4.684 4.340 0.047 0.000 0.284 781 L C 1.219 178.069 176.870 -0.033 0.000 1.149 781 L CA 0.252 55.051 54.840 -0.069 0.000 1.069 781 L CB -2.087 39.933 42.059 -0.065 0.000 1.407 781 L HN 0.878 nan 8.230 nan 0.000 0.460 782 G N 3.115 111.899 108.800 -0.027 0.000 2.645 782 G HA2 -0.280 3.709 3.960 0.047 0.000 0.246 782 G HA3 -0.280 3.709 3.960 0.047 0.000 0.246 782 G C -0.586 174.347 174.900 0.055 0.000 1.322 782 G CA -0.174 44.931 45.100 0.008 0.000 0.898 782 G HN 0.517 nan 8.290 nan 0.000 0.573 783 L N 1.439 122.727 121.223 0.107 0.000 2.527 783 L HA 0.495 4.864 4.340 0.047 0.000 0.261 783 L C -1.942 175.029 176.870 0.168 0.000 1.534 783 L CA -0.712 54.213 54.840 0.140 0.000 0.757 783 L CB 1.638 43.767 42.059 0.117 0.000 0.999 783 L HN 0.480 nan 8.230 nan 0.000 0.517 784 P HA 0.150 nan 4.420 nan 0.000 0.211 784 P C -0.125 177.267 177.300 0.155 0.000 1.856 784 P CA -0.356 62.815 63.100 0.118 0.000 0.962 784 P CB -0.130 31.648 31.700 0.129 0.000 1.785 785 E N 0.212 120.497 120.200 0.143 0.000 2.598 785 E HA 0.089 4.468 4.350 0.047 0.000 0.273 785 E C 0.195 176.847 176.600 0.086 0.000 1.029 785 E CA 0.221 56.691 56.400 0.118 0.000 0.985 785 E CB 0.419 30.195 29.700 0.127 0.000 0.988 785 E HN 0.207 nan 8.360 nan 0.000 0.460 786 A N 3.592 126.445 122.820 0.055 0.000 2.377 786 A HA 0.197 4.545 4.320 0.047 0.000 0.174 786 A C 0.302 177.898 177.584 0.021 0.000 1.663 786 A CA -0.392 51.652 52.037 0.011 0.000 1.219 786 A CB 0.444 19.436 19.000 -0.013 0.000 1.499 786 A HN 0.462 nan 8.150 nan 0.000 0.481 787 L N 2.195 123.444 121.223 0.042 0.000 2.335 787 L HA 0.469 4.838 4.340 0.047 0.000 0.268 787 L C -0.665 176.240 176.870 0.059 0.000 1.037 787 L CA -0.374 54.497 54.840 0.051 0.000 0.895 787 L CB 1.109 43.197 42.059 0.049 0.000 1.266 787 L HN 0.246 nan 8.230 nan 0.000 0.439 788 I N 5.269 125.872 120.570 0.054 0.000 2.752 788 I HA 0.013 4.212 4.170 0.047 0.000 0.287 788 I C -0.644 175.503 176.117 0.050 0.000 1.188 788 I CA -1.063 60.267 61.300 0.049 0.000 1.427 788 I CB 1.312 39.329 38.000 0.028 0.000 1.365 788 I HN 0.392 nan 8.210 nan 0.000 0.585 789 P HA -0.150 nan 4.420 nan 0.000 0.216 789 P C 1.263 178.593 177.300 0.051 0.000 1.150 789 P CA 1.408 64.543 63.100 0.058 0.000 0.837 789 P CB 0.051 31.790 31.700 0.066 0.000 0.786 790 V N -0.209 119.722 119.914 0.028 0.000 3.383 790 V HA -0.119 4.029 4.120 0.047 0.000 0.272 790 V C 2.473 178.533 176.094 -0.057 0.000 1.181 790 V CA 1.231 63.527 62.300 -0.005 0.000 1.171 790 V CB -1.496 30.304 31.823 -0.039 0.000 0.800 790 V HN 0.177 nan 8.190 nan 0.000 0.515 791 Q N -0.181 119.620 119.800 0.000 0.000 2.252 791 Q HA 0.153 4.521 4.340 0.047 0.000 0.195 791 Q C 2.271 178.369 176.000 0.162 0.000 0.974 791 Q CA 0.553 56.391 55.803 0.057 0.000 0.846 791 Q CB -0.146 28.657 28.738 0.109 0.000 0.943 791 Q HN 0.451 nan 8.270 nan 0.000 0.516 792 L N 1.239 122.537 121.223 0.125 0.000 2.085 792 L HA -0.295 4.073 4.340 0.047 0.000 0.218 792 L C 2.347 179.293 176.870 0.126 0.000 1.080 792 L CA 0.918 55.827 54.840 0.116 0.000 0.776 792 L CB -0.801 41.303 42.059 0.075 0.000 0.891 792 L HN 0.293 nan 8.230 nan 0.000 0.437 793 L N -0.899 120.399 121.223 0.125 0.000 1.915 793 L HA -0.299 4.069 4.340 0.047 0.000 0.225 793 L C 2.358 179.331 176.870 0.171 0.000 1.084 793 L CA 2.498 57.412 54.840 0.124 0.000 0.788 793 L CB -1.440 40.694 42.059 0.124 0.000 0.892 793 L HN 0.466 nan 8.230 nan 0.000 0.434 794 W N 0.180 121.527 121.300 0.077 0.000 2.313 794 W HA -0.236 4.450 4.660 0.044 0.000 0.293 794 W C 2.401 179.014 176.519 0.155 0.000 1.216 794 W CA 1.953 59.384 57.345 0.143 0.000 1.223 794 W CB -0.293 29.315 29.460 0.246 0.000 1.138 794 W HN -0.066 nan 8.180 nan 0.000 0.535 795 V N 1.113 121.279 119.914 0.420 0.000 2.220 795 V HA -0.410 3.739 4.120 0.047 0.000 0.246 795 V C 2.290 178.398 176.094 0.024 0.000 1.049 795 V CA 2.432 64.901 62.300 0.281 0.000 1.003 795 V CB -1.140 30.830 31.823 0.245 0.000 0.634 795 V HN 0.225 nan 8.190 nan 0.000 0.444 796 N N -0.214 118.495 118.700 0.016 0.000 2.223 796 N HA -0.105 4.664 4.740 0.047 0.000 0.185 796 N C 1.504 176.962 175.510 -0.085 0.000 1.016 796 N CA 1.171 54.200 53.050 -0.034 0.000 0.863 796 N CB -0.233 38.246 38.487 -0.014 0.000 0.983 796 N HN 0.314 nan 8.380 nan 0.000 0.429 797 L N -0.240 120.902 121.223 -0.135 0.000 2.418 797 L HA 0.015 4.383 4.340 0.047 0.000 0.218 797 L C 1.687 178.375 176.870 -0.303 0.000 1.125 797 L CA 0.530 55.259 54.840 -0.186 0.000 0.835 797 L CB 0.311 42.258 42.059 -0.185 0.000 0.953 797 L HN -0.072 nan 8.230 nan 0.000 0.454 798 V N -3.127 116.520 119.914 -0.445 0.000 3.449 798 V HA -0.060 4.088 4.120 0.047 0.000 0.208 798 V C 2.253 178.174 176.094 -0.288 0.000 1.269 798 V CA 0.954 62.935 62.300 -0.531 0.000 1.301 798 V CB -0.331 30.740 31.823 -1.254 0.000 1.306 798 V HN 0.354 nan 8.190 nan 0.000 0.531 799 T N -1.306 113.107 114.554 -0.235 0.000 2.721 799 T HA -0.284 4.094 4.350 0.047 0.000 0.268 799 T C 1.257 175.953 174.700 -0.006 0.000 1.038 799 T CA 2.345 64.431 62.100 -0.023 0.000 1.145 799 T CB -0.323 68.593 68.868 0.081 0.000 0.858 799 T HN 0.454 nan 8.240 nan 0.000 0.459 800 D N 0.378 120.764 120.400 -0.024 0.000 2.423 800 D HA 0.214 4.883 4.640 0.047 0.000 0.212 800 D C 2.325 178.648 176.300 0.039 0.000 1.060 800 D CA 0.722 54.739 54.000 0.027 0.000 0.872 800 D CB -0.331 40.443 40.800 -0.043 0.000 1.012 800 D HN 0.546 nan 8.370 nan 0.000 0.503 801 G N 1.468 110.245 108.800 -0.039 0.000 2.422 801 G HA2 -0.215 3.773 3.960 0.047 0.000 0.218 801 G HA3 -0.215 3.773 3.960 0.047 0.000 0.218 801 G C 1.618 176.499 174.900 -0.031 0.000 1.146 801 G CA 0.447 45.516 45.100 -0.052 0.000 0.769 801 G HN 0.189 nan 8.290 nan 0.000 0.547 802 L N 1.695 122.906 121.223 -0.020 0.000 2.005 802 L HA 0.105 4.473 4.340 0.047 0.000 0.207 802 L C 0.092 176.985 176.870 0.038 0.000 1.072 802 L CA 1.669 56.515 54.840 0.009 0.000 0.744 802 L CB -0.877 41.187 42.059 0.007 0.000 0.895 802 L HN 0.075 nan 8.230 nan 0.000 0.433 803 P HA -0.161 nan 4.420 nan 0.000 0.215 803 P C 1.477 178.797 177.300 0.033 0.000 1.157 803 P CA 2.228 65.366 63.100 0.063 0.000 0.868 803 P CB -0.262 31.523 31.700 0.143 0.000 0.788 804 A N -0.914 121.974 122.820 0.114 0.000 1.969 804 A HA -0.121 4.227 4.320 0.047 0.000 0.218 804 A C 2.238 179.629 177.584 -0.321 0.000 1.169 804 A CA 2.162 54.204 52.037 0.008 0.000 0.635 804 A CB -1.791 17.276 19.000 0.112 0.000 0.810 804 A HN 0.186 nan 8.150 nan 0.000 0.445 805 T N -0.037 114.396 114.554 -0.202 0.000 2.896 805 T HA 0.114 4.492 4.350 0.047 0.000 0.263 805 T C 2.226 176.911 174.700 -0.024 0.000 1.050 805 T CA 1.163 63.148 62.100 -0.190 0.000 1.140 805 T CB -0.315 68.507 68.868 -0.076 0.000 0.877 805 T HN 0.552 nan 8.240 nan 0.000 0.457 806 A N 1.350 124.212 122.820 0.071 0.000 1.972 806 A HA 0.058 4.406 4.320 0.047 0.000 0.219 806 A C 2.167 179.858 177.584 0.179 0.000 1.169 806 A CA 1.037 53.202 52.037 0.215 0.000 0.635 806 A CB -0.826 18.289 19.000 0.192 0.000 0.810 806 A HN 0.484 nan 8.150 nan 0.000 0.446 807 L N -0.581 120.665 121.223 0.039 0.000 2.362 807 L HA -0.082 4.287 4.340 0.047 0.000 0.219 807 L C 2.601 179.467 176.870 -0.007 0.000 1.134 807 L CA 0.552 55.401 54.840 0.015 0.000 0.807 807 L CB -0.537 41.514 42.059 -0.014 0.000 0.927 807 L HN 0.489 nan 8.230 nan 0.000 0.447 808 G N -0.226 108.527 108.800 -0.078 0.000 2.479 808 G HA2 -0.248 3.740 3.960 0.047 0.000 0.220 808 G HA3 -0.248 3.740 3.960 0.047 0.000 0.220 808 G C 1.037 175.719 174.900 -0.363 0.000 1.115 808 G CA 0.357 45.312 45.100 -0.242 0.000 0.757 808 G HN 0.351 nan 8.290 nan 0.000 0.560 809 F N 0.500 120.337 119.950 -0.188 0.000 2.668 809 F HA 0.329 4.883 4.527 0.046 0.000 0.297 809 F C 0.740 176.481 175.800 -0.100 0.000 1.124 809 F CA -1.165 56.708 58.000 -0.211 0.000 1.353 809 F CB -0.176 38.575 39.000 -0.415 0.000 0.992 809 F HN -0.130 nan 8.300 nan 0.000 0.524 810 N N 2.722 121.449 118.700 0.045 0.000 2.357 810 N HA 0.016 4.784 4.740 0.047 0.000 0.257 810 N C -2.387 173.131 175.510 0.014 0.000 1.250 810 N CA -0.797 52.272 53.050 0.030 0.000 0.862 810 N CB 0.260 38.750 38.487 0.004 0.000 1.066 810 N HN -0.104 nan 8.380 nan 0.000 0.468 811 P HA 0.076 nan 4.420 nan 0.000 0.265 811 P C -2.500 174.794 177.300 -0.011 0.000 1.193 811 P CA -0.811 62.291 63.100 0.003 0.000 0.765 811 P CB -0.263 31.432 31.700 -0.008 0.000 0.823 812 P HA 0.085 nan 4.420 nan 0.000 0.267 812 P C -0.231 177.060 177.300 -0.014 0.000 1.209 812 P CA 0.201 63.292 63.100 -0.014 0.000 0.763 812 P CB 0.171 31.863 31.700 -0.013 0.000 0.816 813 D N 2.560 122.952 120.400 -0.013 0.000 2.399 813 D HA 0.089 4.757 4.640 0.047 0.000 0.241 813 D C -0.122 176.173 176.300 -0.009 0.000 1.133 813 D CA -0.017 53.975 54.000 -0.013 0.000 0.890 813 D CB 0.419 41.213 40.800 -0.009 0.000 1.201 813 D HN 0.183 nan 8.370 nan 0.000 0.432 814 L N 2.244 123.461 121.223 -0.010 0.000 2.456 814 L HA 0.242 4.611 4.340 0.047 0.000 0.257 814 L C 0.502 177.371 176.870 -0.001 0.000 1.162 814 L CA -0.621 54.215 54.840 -0.006 0.000 0.808 814 L CB 0.455 42.510 42.059 -0.007 0.000 1.136 814 L HN 0.589 nan 8.230 nan 0.000 0.466 815 D N -0.041 120.360 120.400 0.002 0.000 2.911 815 D HA -0.236 4.432 4.640 0.047 0.000 0.227 815 D C 0.929 177.234 176.300 0.008 0.000 1.164 815 D CA 0.524 54.527 54.000 0.006 0.000 0.782 815 D CB -0.661 40.143 40.800 0.007 0.000 1.094 815 D HN 0.445 nan 8.370 nan 0.000 0.425 816 I N -0.538 120.036 120.570 0.006 0.000 2.500 816 I HA -0.114 4.084 4.170 0.047 0.000 0.252 816 I C 1.268 177.391 176.117 0.011 0.000 1.142 816 I CA 1.190 62.496 61.300 0.010 0.000 1.451 816 I CB -0.006 37.997 38.000 0.006 0.000 1.093 816 I HN 0.119 nan 8.210 nan 0.000 0.430 817 M N -0.166 119.438 119.600 0.007 0.000 2.431 817 M HA 0.094 4.602 4.480 0.047 0.000 0.237 817 M C 0.033 176.339 176.300 0.010 0.000 1.130 817 M CA 0.471 55.774 55.300 0.006 0.000 1.002 817 M CB -0.857 31.743 32.600 0.000 0.000 1.524 817 M HN 0.033 nan 8.290 nan 0.000 0.482 818 D N 0.896 121.303 120.400 0.012 0.000 2.491 818 D HA 0.213 4.881 4.640 0.047 0.000 0.228 818 D C -0.024 176.286 176.300 0.017 0.000 1.183 818 D CA 0.170 54.178 54.000 0.014 0.000 0.827 818 D CB 0.583 41.391 40.800 0.013 0.000 0.989 818 D HN 0.137 nan 8.370 nan 0.000 0.494 819 R N 0.255 120.766 120.500 0.018 0.000 2.774 819 R HA 0.432 4.801 4.340 0.047 0.000 0.272 819 R C -2.727 173.586 176.300 0.021 0.000 1.000 819 R CA -1.914 54.199 56.100 0.021 0.000 0.906 819 R CB 1.569 31.884 30.300 0.025 0.000 1.227 819 R HN -0.114 nan 8.270 nan 0.000 0.468 820 P HA 0.103 nan 4.420 nan 0.000 0.269 820 P C -2.449 174.862 177.300 0.019 0.000 1.215 820 P CA -1.197 61.916 63.100 0.022 0.000 0.780 820 P CB -0.292 31.423 31.700 0.024 0.000 0.898 821 P HA 0.075 nan 4.420 nan 0.000 0.266 821 P C 0.016 177.315 177.300 -0.002 0.000 1.195 821 P CA 0.135 63.236 63.100 0.000 0.000 0.768 821 P CB 0.327 32.023 31.700 -0.007 0.000 0.838 822 R N 1.687 122.179 120.500 -0.014 0.000 2.435 822 R HA 0.074 4.443 4.340 0.047 0.000 0.325 822 R C 0.666 176.937 176.300 -0.049 0.000 1.149 822 R CA 0.214 56.305 56.100 -0.015 0.000 0.995 822 R CB -0.813 29.473 30.300 -0.023 0.000 1.008 822 R HN 0.457 nan 8.270 nan 0.000 0.470 823 S N 3.889 119.581 115.700 -0.013 0.000 2.558 823 S HA 0.024 4.523 4.470 0.047 0.000 0.293 823 S C -1.099 173.483 174.600 -0.030 0.000 1.292 823 S CA -1.094 57.098 58.200 -0.013 0.000 1.063 823 S CB 0.614 63.820 63.200 0.011 0.000 0.831 823 S HN 0.360 nan 8.310 nan 0.000 0.499 824 P HA -0.031 nan 4.420 nan 0.000 0.231 824 P C 0.777 178.071 177.300 -0.010 0.000 1.158 824 P CA 0.721 63.794 63.100 -0.045 0.000 0.763 824 P CB 0.120 31.796 31.700 -0.040 0.000 0.805 825 K N 0.129 120.532 120.400 0.004 0.000 2.243 825 K HA -0.036 4.312 4.320 0.047 0.000 0.201 825 K C 0.879 177.498 176.600 0.031 0.000 1.051 825 K CA 0.198 56.495 56.287 0.018 0.000 0.970 825 K CB -0.349 32.163 32.500 0.019 0.000 0.755 825 K HN 0.359 nan 8.250 nan 0.000 0.465 826 E N 3.609 123.832 120.200 0.038 0.000 2.603 826 E HA -0.024 4.355 4.350 0.047 0.000 0.242 826 E C -2.200 174.445 176.600 0.075 0.000 1.083 826 E CA -1.452 54.985 56.400 0.062 0.000 0.950 826 E CB 0.355 30.100 29.700 0.076 0.000 0.952 826 E HN -0.062 nan 8.360 nan 0.000 0.498 827 P HA -0.025 nan 4.420 nan 0.000 0.271 827 P C 0.359 177.703 177.300 0.074 0.000 1.218 827 P CA -0.224 62.917 63.100 0.068 0.000 0.780 827 P CB 0.748 32.487 31.700 0.065 0.000 0.901 828 L N 1.907 123.158 121.223 0.048 0.000 1.976 828 L HA -0.033 4.335 4.340 0.047 0.000 0.209 828 L C 1.215 178.113 176.870 0.048 0.000 1.071 828 L CA 1.882 56.724 54.840 0.004 0.000 0.746 828 L CB -0.907 41.090 42.059 -0.103 0.000 0.890 828 L HN 0.355 nan 8.230 nan 0.000 0.432 829 I N -1.071 119.550 120.570 0.084 0.000 2.619 829 I HA 0.511 4.709 4.170 0.047 0.000 0.292 829 I C -0.853 175.368 176.117 0.174 0.000 1.100 829 I CA -0.448 60.957 61.300 0.175 0.000 1.043 829 I CB 2.088 40.233 38.000 0.242 0.000 1.239 829 I HN 0.081 nan 8.210 nan 0.000 0.420 830 S N 3.270 119.093 115.700 0.206 0.000 2.602 830 S HA 0.719 5.217 4.470 0.047 0.000 0.301 830 S C -0.281 174.459 174.600 0.232 0.000 1.091 830 S CA -0.166 58.131 58.200 0.161 0.000 0.895 830 S CB 1.275 64.532 63.200 0.096 0.000 1.090 830 S HN 1.652 nan 8.310 nan 0.000 0.449 831 G N 4.107 113.061 108.800 0.258 0.000 2.536 831 G HA2 -0.378 3.610 3.960 0.047 0.000 0.280 831 G HA3 -0.378 3.610 3.960 0.047 0.000 0.280 831 G C 0.908 176.060 174.900 0.421 0.000 1.152 831 G CA 0.434 45.724 45.100 0.316 0.000 0.970 831 G HN 1.471 nan 8.290 nan 0.000 0.549 832 W N 0.468 121.886 121.300 0.196 0.000 2.308 832 W HA -0.128 4.561 4.660 0.048 0.000 0.301 832 W C 2.342 178.930 176.519 0.115 0.000 1.220 832 W CA 2.243 59.654 57.345 0.110 0.000 1.240 832 W CB -0.180 29.294 29.460 0.023 0.000 1.142 832 W HN 0.495 nan 8.180 nan 0.000 0.521 833 L N 0.370 121.638 121.223 0.074 0.000 2.109 833 L HA -0.136 4.232 4.340 0.047 0.000 0.207 833 L C 2.357 179.231 176.870 0.007 0.000 1.086 833 L CA 1.899 56.683 54.840 -0.094 0.000 0.760 833 L CB -1.471 40.657 42.059 0.116 0.000 0.910 833 L HN 0.009 nan 8.230 nan 0.000 0.437 834 F N -1.041 118.949 119.950 0.066 0.000 2.146 834 F HA -0.229 4.330 4.527 0.053 0.000 0.298 834 F C 2.181 178.034 175.800 0.088 0.000 1.096 834 F CA 1.385 59.461 58.000 0.126 0.000 1.275 834 F CB -0.544 38.546 39.000 0.151 0.000 1.008 834 F HN 0.167 nan 8.300 nan 0.000 0.480 835 F N 1.017 120.887 119.950 -0.133 0.000 2.293 835 F HA -0.035 4.525 4.527 0.056 0.000 0.300 835 F C 2.482 178.008 175.800 -0.458 0.000 1.086 835 F CA 1.325 59.166 58.000 -0.264 0.000 1.375 835 F CB -0.545 38.411 39.000 -0.073 0.000 1.045 835 F HN -0.147 nan 8.300 nan 0.000 0.516 836 R N -1.333 118.792 120.500 -0.624 0.000 2.062 836 R HA -0.167 4.202 4.340 0.047 0.000 0.231 836 R C 1.831 177.751 176.300 -0.632 0.000 1.136 836 R CA 1.657 57.257 56.100 -0.833 0.000 0.948 836 R CB -0.600 29.082 30.300 -1.030 0.000 0.845 836 R HN 0.261 nan 8.270 nan 0.000 0.430 837 Y N -0.871 119.218 120.300 -0.352 0.000 2.578 837 Y HA -0.024 4.553 4.550 0.045 0.000 0.297 837 Y C 1.683 177.373 175.900 -0.349 0.000 1.176 837 Y CA 0.415 58.352 58.100 -0.273 0.000 1.315 837 Y CB 0.091 38.447 38.460 -0.173 0.000 1.031 837 Y HN 0.075 nan 8.280 nan 0.000 0.524 838 M N -1.007 118.361 119.600 -0.386 0.000 2.486 838 M HA 0.213 4.722 4.480 0.047 0.000 0.264 838 M C 2.031 178.107 176.300 -0.372 0.000 1.125 838 M CA 0.922 55.943 55.300 -0.465 0.000 1.144 838 M CB -0.146 32.070 32.600 -0.640 0.000 1.353 838 M HN 0.095 nan 8.290 nan 0.000 0.466 839 A N -0.277 122.273 122.820 -0.450 0.000 1.901 839 A HA 0.116 4.464 4.320 0.047 0.000 0.210 839 A C 1.764 179.238 177.584 -0.184 0.000 1.208 839 A CA 0.652 52.471 52.037 -0.365 0.000 0.644 839 A CB -0.471 18.216 19.000 -0.523 0.000 0.863 839 A HN 0.358 nan 8.150 nan 0.000 0.454 840 I N 0.710 121.166 120.570 -0.191 0.000 2.454 840 I HA -0.153 4.045 4.170 0.047 0.000 0.254 840 I C 2.419 178.541 176.117 0.007 0.000 1.156 840 I CA 1.476 62.735 61.300 -0.068 0.000 1.433 840 I CB -1.842 36.114 38.000 -0.072 0.000 1.082 840 I HN 0.353 nan 8.210 nan 0.000 0.432 841 G N 0.172 108.950 108.800 -0.038 0.000 2.551 841 G HA2 0.003 3.992 3.960 0.047 0.000 0.216 841 G HA3 0.003 3.992 3.960 0.047 0.000 0.216 841 G C 1.657 176.539 174.900 -0.030 0.000 1.137 841 G CA 0.673 45.756 45.100 -0.030 0.000 0.798 841 G HN 0.465 nan 8.290 nan 0.000 0.536 842 G N -0.105 108.674 108.800 -0.035 0.000 2.447 842 G HA2 -0.089 3.899 3.960 0.047 0.000 0.211 842 G HA3 -0.089 3.899 3.960 0.047 0.000 0.211 842 G C 1.511 176.431 174.900 0.033 0.000 1.184 842 G CA 0.745 45.837 45.100 -0.013 0.000 0.813 842 G HN 0.283 nan 8.290 nan 0.000 0.540 843 Y N 2.238 122.499 120.300 -0.064 0.000 2.069 843 Y HA -0.279 4.268 4.550 -0.006 0.000 0.278 843 Y C 2.871 178.754 175.900 -0.029 0.000 1.175 843 Y CA 2.486 60.560 58.100 -0.043 0.000 1.134 843 Y CB -0.486 37.941 38.460 -0.056 0.000 0.965 843 Y HN 0.116 nan 8.280 nan 0.000 0.498 844 V N -1.462 118.463 119.914 0.019 0.000 2.867 844 V HA -0.071 4.078 4.120 0.047 0.000 0.260 844 V C 2.256 178.294 176.094 -0.093 0.000 1.099 844 V CA 1.701 63.962 62.300 -0.064 0.000 1.122 844 V CB -1.689 30.145 31.823 0.018 0.000 0.708 844 V HN 0.475 nan 8.190 nan 0.000 0.490 845 G N 0.065 108.828 108.800 -0.063 0.000 2.421 845 G HA2 -0.001 3.988 3.960 0.047 0.000 0.217 845 G HA3 -0.001 3.988 3.960 0.047 0.000 0.217 845 G C 1.585 176.455 174.900 -0.050 0.000 1.143 845 G CA 0.809 45.891 45.100 -0.030 0.000 0.784 845 G HN 0.842 nan 8.290 nan 0.000 0.541 846 A N 0.623 123.373 122.820 -0.117 0.000 2.123 846 A HA 0.575 4.923 4.320 0.047 0.000 0.214 846 A C 2.475 179.956 177.584 -0.172 0.000 1.152 846 A CA 1.333 53.292 52.037 -0.129 0.000 0.728 846 A CB -0.226 18.672 19.000 -0.170 0.000 0.814 846 A HN 0.584 nan 8.150 nan 0.000 0.464 847 A N -0.139 122.545 122.820 -0.226 0.000 2.209 847 A HA 0.080 4.428 4.320 0.047 0.000 0.212 847 A C 2.057 179.569 177.584 -0.119 0.000 1.158 847 A CA 1.862 53.775 52.037 -0.207 0.000 0.742 847 A CB -0.705 18.166 19.000 -0.214 0.000 0.790 847 A HN 0.648 nan 8.150 nan 0.000 0.472 848 T N -5.298 109.209 114.554 -0.078 0.000 2.978 848 T HA 0.142 4.520 4.350 0.047 0.000 0.248 848 T C 1.478 176.171 174.700 -0.012 0.000 1.018 848 T CA 0.926 63.003 62.100 -0.039 0.000 1.026 848 T CB -0.010 68.849 68.868 -0.015 0.000 1.032 848 T HN -0.019 nan 8.240 nan 0.000 0.485 849 V N 1.700 121.608 119.914 -0.009 0.000 2.500 849 V HA 0.244 4.393 4.120 0.047 0.000 0.243 849 V C 2.981 179.095 176.094 0.033 0.000 1.039 849 V CA 1.663 63.975 62.300 0.021 0.000 1.053 849 V CB -1.017 30.818 31.823 0.021 0.000 0.695 849 V HN 0.615 nan 8.190 nan 0.000 0.463 850 G N -0.244 108.562 108.800 0.011 0.000 2.443 850 G HA2 -0.117 3.871 3.960 0.047 0.000 0.219 850 G HA3 -0.117 3.871 3.960 0.047 0.000 0.219 850 G C 1.705 176.662 174.900 0.095 0.000 1.131 850 G CA 0.953 46.082 45.100 0.048 0.000 0.775 850 G HN 0.558 nan 8.290 nan 0.000 0.547 851 A N 0.969 123.805 122.820 0.027 0.000 1.930 851 A HA 0.351 4.700 4.320 0.047 0.000 0.217 851 A C 2.701 180.339 177.584 0.091 0.000 1.175 851 A CA 2.099 54.152 52.037 0.026 0.000 0.627 851 A CB -0.492 18.471 19.000 -0.062 0.000 0.815 851 A HN 0.637 nan 8.150 nan 0.000 0.443 852 A N -0.528 122.317 122.820 0.043 0.000 1.935 852 A HA 0.402 4.750 4.320 0.047 0.000 0.214 852 A C 2.442 180.088 177.584 0.103 0.000 1.178 852 A CA 1.446 53.474 52.037 -0.016 0.000 0.640 852 A CB -0.852 18.166 19.000 0.031 0.000 0.825 852 A HN 0.862 nan 8.150 nan 0.000 0.447 853 A N -0.959 121.950 122.820 0.150 0.000 1.845 853 A HA -0.179 4.169 4.320 0.047 0.000 0.215 853 A C 1.990 179.646 177.584 0.119 0.000 1.195 853 A CA 1.582 53.697 52.037 0.129 0.000 0.616 853 A CB -1.209 17.844 19.000 0.088 0.000 0.832 853 A HN 0.876 nan 8.150 nan 0.000 0.443 854 W N -0.240 121.079 121.300 0.031 0.000 2.321 854 W HA -0.226 4.478 4.660 0.073 0.000 0.285 854 W C 2.046 178.605 176.519 0.066 0.000 1.213 854 W CA 1.993 59.384 57.345 0.077 0.000 1.205 854 W CB -0.180 29.331 29.460 0.086 0.000 1.134 854 W HN 0.579 nan 8.180 nan 0.000 0.549 855 W N -0.254 120.985 121.300 -0.102 0.000 2.501 855 W HA -0.091 4.594 4.660 0.042 0.000 0.309 855 W C 1.458 177.765 176.519 -0.353 0.000 1.165 855 W CA 1.162 58.290 57.345 -0.362 0.000 1.381 855 W CB -1.408 27.853 29.460 -0.332 0.000 1.142 855 W HN -0.151 nan 8.180 nan 0.000 0.509 856 F N 0.564 120.527 119.950 0.021 0.000 2.722 856 F HA -0.113 4.444 4.527 0.049 0.000 0.298 856 F C 2.303 177.896 175.800 -0.345 0.000 1.175 856 F CA 0.983 58.880 58.000 -0.173 0.000 1.462 856 F CB 0.008 38.954 39.000 -0.090 0.000 1.111 856 F HN -0.045 nan 8.300 nan 0.000 0.592 857 M N -2.262 117.164 119.600 -0.290 0.000 2.195 857 M HA 0.089 4.597 4.480 0.047 0.000 0.243 857 M C -0.201 175.608 176.300 -0.818 0.000 1.313 857 M CA 0.842 55.772 55.300 -0.617 0.000 1.077 857 M CB 0.789 32.853 32.600 -0.895 0.000 1.664 857 M HN 0.011 nan 8.290 nan 0.000 0.584 858 Y N 0.343 120.420 120.300 -0.372 0.000 2.712 858 Y HA 0.579 5.156 4.550 0.044 0.000 0.250 858 Y C 0.062 175.529 175.900 -0.721 0.000 1.101 858 Y CA -0.955 56.888 58.100 -0.430 0.000 1.118 858 Y CB 0.629 38.902 38.460 -0.311 0.000 1.203 858 Y HN 0.172 nan 8.280 nan 0.000 0.587 859 A N 0.402 122.782 122.820 -0.733 0.000 2.316 859 A HA 0.413 4.761 4.320 0.047 0.000 0.284 859 A C 0.754 178.003 177.584 -0.559 0.000 1.115 859 A CA -0.320 51.153 52.037 -0.940 0.000 0.812 859 A CB 0.849 19.155 19.000 -1.156 0.000 1.064 859 A HN 0.295 nan 8.150 nan 0.000 0.489 860 E N 0.504 120.454 120.200 -0.416 0.000 2.057 860 E HA -0.088 4.290 4.350 0.047 0.000 0.191 860 E C 1.137 177.601 176.600 -0.228 0.000 0.959 860 E CA 0.883 57.146 56.400 -0.229 0.000 0.828 860 E CB -0.390 29.250 29.700 -0.100 0.000 0.800 860 E HN 0.838 nan 8.360 nan 0.000 0.460 861 D N 1.095 121.383 120.400 -0.188 0.000 2.178 861 D HA -0.065 4.603 4.640 0.047 0.000 0.202 861 D C 0.642 176.771 176.300 -0.285 0.000 0.974 861 D CA 0.648 54.567 54.000 -0.134 0.000 0.841 861 D CB 0.084 40.886 40.800 0.004 0.000 0.953 861 D HN 0.069 nan 8.370 nan 0.000 0.478 862 G N 0.359 108.759 108.800 -0.666 0.000 2.451 862 G HA2 0.395 4.383 3.960 0.047 0.000 0.303 862 G HA3 0.395 4.383 3.960 0.047 0.000 0.303 862 G C -2.571 171.826 174.900 -0.839 0.000 1.166 862 G CA -1.069 43.284 45.100 -1.246 0.000 0.884 862 G HN -0.015 nan 8.290 nan 0.000 0.514 863 P HA 0.059 nan 4.420 nan 0.000 0.252 863 P C 0.830 177.903 177.300 -0.380 0.000 1.183 863 P CA 0.198 63.093 63.100 -0.341 0.000 0.973 863 P CB 0.260 31.851 31.700 -0.181 0.000 0.990 864 G N 3.157 111.768 108.800 -0.316 0.000 3.325 864 G HA2 0.135 4.123 3.960 0.047 0.000 0.242 864 G HA3 0.135 4.123 3.960 0.047 0.000 0.242 864 G C 0.461 175.273 174.900 -0.148 0.000 1.120 864 G CA -0.378 44.561 45.100 -0.268 0.000 1.778 864 G HN 0.468 nan 8.290 nan 0.000 0.610 865 V N 0.586 120.420 119.914 -0.134 0.000 2.180 865 V HA 0.223 4.371 4.120 0.047 0.000 0.238 865 V C 0.964 177.037 176.094 -0.036 0.000 1.337 865 V CA -0.560 61.733 62.300 -0.012 0.000 1.338 865 V CB -1.682 30.186 31.823 0.075 0.000 1.431 865 V HN 0.373 nan 8.190 nan 0.000 0.498 866 T N 0.982 115.509 114.554 -0.045 0.000 2.905 866 T HA 0.107 4.486 4.350 0.047 0.000 0.299 866 T C 0.188 174.930 174.700 0.070 0.000 1.024 866 T CA 0.180 62.215 62.100 -0.107 0.000 1.151 866 T CB -0.522 68.457 68.868 0.186 0.000 0.987 866 T HN 0.913 nan 8.240 nan 0.000 0.535 867 Y N 0.004 120.253 120.300 -0.084 0.000 3.491 867 Y HA -0.283 4.297 4.550 0.050 0.000 0.215 867 Y C 1.697 177.604 175.900 0.013 0.000 1.219 867 Y CA 1.039 59.127 58.100 -0.020 0.000 1.485 867 Y CB -2.759 35.713 38.460 0.021 0.000 1.450 867 Y HN 0.981 nan 8.280 nan 0.000 0.603 868 H N 1.541 120.612 119.070 0.003 0.000 2.489 868 H HA -0.138 4.446 4.556 0.047 0.000 0.295 868 H C 0.638 175.982 175.328 0.027 0.000 1.082 868 H CA 2.151 58.202 56.048 0.005 0.000 1.295 868 H CB 0.287 29.999 29.762 -0.082 0.000 1.380 868 H HN 0.609 nan 8.280 nan 0.000 0.548 869 Q N -0.396 119.453 119.800 0.081 0.000 2.440 869 Q HA -0.167 4.201 4.340 0.047 0.000 0.325 869 Q C 1.291 177.309 176.000 0.029 0.000 1.454 869 Q CA 0.653 56.446 55.803 -0.017 0.000 0.828 869 Q CB -1.822 26.925 28.738 0.016 0.000 1.104 869 Q HN 0.530 nan 8.270 nan 0.000 0.358 870 L N -0.771 120.504 121.223 0.087 0.000 2.376 870 L HA -0.088 4.281 4.340 0.047 0.000 0.219 870 L C 1.976 178.870 176.870 0.041 0.000 1.133 870 L CA 1.362 56.258 54.840 0.094 0.000 0.816 870 L CB -0.120 41.855 42.059 -0.140 0.000 0.933 870 L HN 0.322 nan 8.230 nan 0.000 0.449 871 T N -1.841 112.630 114.554 -0.138 0.000 2.946 871 T HA -0.119 4.260 4.350 0.047 0.000 0.271 871 T C 0.827 175.363 174.700 -0.274 0.000 1.104 871 T CA 0.785 62.754 62.100 -0.219 0.000 1.114 871 T CB -0.411 68.263 68.868 -0.323 0.000 0.867 871 T HN 0.277 nan 8.240 nan 0.000 0.513 872 H N -0.107 118.901 119.070 -0.103 0.000 2.509 872 H HA 0.320 4.905 4.556 0.049 0.000 0.359 872 H C 0.649 175.865 175.328 -0.188 0.000 1.253 872 H CA -1.559 54.308 56.048 -0.302 0.000 1.373 872 H CB -0.045 29.555 29.762 -0.271 0.000 1.555 872 H HN 0.033 nan 8.280 nan 0.000 0.586 873 F N 0.359 120.367 119.950 0.097 0.000 2.724 873 F HA -0.174 4.382 4.527 0.048 0.000 0.313 873 F C 1.835 177.514 175.800 -0.202 0.000 1.177 873 F CA 0.450 58.421 58.000 -0.049 0.000 1.352 873 F CB 0.019 38.989 39.000 -0.050 0.000 1.074 873 F HN 0.537 nan 8.300 nan 0.000 0.629 874 M N -2.364 117.148 119.600 -0.147 0.000 2.346 874 M HA 0.276 4.784 4.480 0.047 0.000 0.417 874 M C 0.364 176.446 176.300 -0.363 0.000 1.015 874 M CA -0.076 54.842 55.300 -0.637 0.000 0.968 874 M CB 0.413 32.141 32.600 -1.454 0.000 1.859 874 M HN 0.442 nan 8.290 nan 0.000 0.623 875 Q N 1.185 120.880 119.800 -0.175 0.000 2.291 875 Q HA 0.022 4.391 4.340 0.047 0.000 0.206 875 Q C 0.912 176.839 176.000 -0.122 0.000 0.976 875 Q CA 1.413 57.130 55.803 -0.144 0.000 0.875 875 Q CB -0.328 28.323 28.738 -0.145 0.000 0.927 875 Q HN 0.702 nan 8.270 nan 0.000 0.450 876 c N 0.831 119.366 118.600 -0.109 0.000 3.004 876 c HA -0.206 4.393 4.570 0.047 0.000 0.267 876 c C 0.695 174.738 174.090 -0.078 0.000 1.211 876 c CA 0.823 57.105 56.329 -0.079 0.000 2.485 876 c CB -1.806 40.664 42.510 -0.067 0.000 1.539 876 c HN 0.667 nan 8.230 nan 0.000 0.462 877 T N 0.658 115.160 114.554 -0.087 0.000 3.028 877 T HA 0.112 4.490 4.350 0.047 0.000 0.262 877 T C 1.128 175.761 174.700 -0.112 0.000 0.916 877 T CA 0.568 62.614 62.100 -0.091 0.000 0.873 877 T CB 0.226 69.035 68.868 -0.097 0.000 1.232 877 T HN 0.876 nan 8.240 nan 0.000 0.529 878 E N 1.309 121.423 120.200 -0.143 0.000 2.290 878 E HA 0.213 4.592 4.350 0.047 0.000 0.195 878 E C 0.010 176.339 176.600 -0.452 0.000 0.938 878 E CA 0.105 56.328 56.400 -0.295 0.000 1.018 878 E CB 0.005 29.620 29.700 -0.141 0.000 1.042 878 E HN -0.002 nan 8.360 nan 0.000 0.483 879 D N 0.452 120.705 120.400 -0.245 0.000 2.705 879 D HA -0.169 4.499 4.640 0.047 0.000 0.240 879 D C -0.132 176.040 176.300 -0.214 0.000 1.137 879 D CA 0.462 54.368 54.000 -0.157 0.000 0.677 879 D CB -1.185 39.551 40.800 -0.107 0.000 1.049 879 D HN 0.471 nan 8.370 nan 0.000 0.427 880 H N -1.528 117.507 119.070 -0.059 0.000 2.547 880 H HA 0.110 4.694 4.556 0.047 0.000 0.272 880 H C -0.657 174.551 175.328 -0.200 0.000 0.971 880 H CA 0.887 56.842 56.048 -0.154 0.000 1.245 880 H CB -0.268 29.411 29.762 -0.138 0.000 1.440 880 H HN 0.408 nan 8.280 nan 0.000 0.540 881 P HA -0.064 nan 4.420 nan 0.000 0.225 881 P C -0.225 177.117 177.300 0.070 0.000 1.148 881 P CA 1.286 64.406 63.100 0.034 0.000 0.779 881 P CB 0.181 31.943 31.700 0.104 0.000 0.780 882 H N -2.610 116.408 119.070 -0.088 0.000 2.924 882 H HA 0.279 4.864 4.556 0.047 0.000 0.333 882 H C 0.426 175.758 175.328 0.007 0.000 0.979 882 H CA -0.651 55.406 56.048 0.016 0.000 1.326 882 H CB 0.533 30.330 29.762 0.059 0.000 1.600 882 H HN -0.257 nan 8.280 nan 0.000 0.520 883 F N 0.528 120.523 119.950 0.075 0.000 2.192 883 F HA -0.107 4.448 4.527 0.047 0.000 0.301 883 F C 1.391 177.231 175.800 0.066 0.000 1.079 883 F CA 1.365 59.404 58.000 0.065 0.000 1.303 883 F CB 0.271 39.290 39.000 0.032 0.000 1.024 883 F HN 0.488 nan 8.300 nan 0.000 0.494 884 E N -1.814 118.552 120.200 0.277 0.000 2.437 884 E HA 0.559 4.938 4.350 0.047 0.000 0.253 884 E C -0.932 175.765 176.600 0.163 0.000 0.905 884 E CA -0.465 56.040 56.400 0.174 0.000 0.871 884 E CB 2.208 31.994 29.700 0.144 0.000 1.649 884 E HN -0.015 nan 8.360 nan 0.000 0.422 885 G N 0.473 109.340 108.800 0.111 0.000 3.239 885 G HA2 -0.048 3.940 3.960 0.047 0.000 0.666 885 G HA3 -0.048 3.940 3.960 0.047 0.000 0.666 885 G C -0.263 174.669 174.900 0.053 0.000 1.313 885 G CA -0.436 44.715 45.100 0.084 0.000 1.001 885 G HN 0.375 nan 8.290 nan 0.000 0.573 886 L N 0.490 121.740 121.223 0.045 0.000 2.567 886 L HA 0.227 4.595 4.340 0.047 0.000 0.225 886 L C 0.200 177.090 176.870 0.034 0.000 1.119 886 L CA 0.135 54.996 54.840 0.034 0.000 0.871 886 L CB 0.124 42.202 42.059 0.031 0.000 1.036 886 L HN 0.369 nan 8.230 nan 0.000 0.459 887 D N -1.348 119.074 120.400 0.037 0.000 2.373 887 D HA 0.194 4.862 4.640 0.047 0.000 0.227 887 D C 0.077 176.413 176.300 0.060 0.000 1.091 887 D CA -0.075 53.953 54.000 0.045 0.000 0.840 887 D CB 1.762 42.587 40.800 0.042 0.000 1.060 887 D HN -0.056 nan 8.370 nan 0.000 0.502 888 c N 1.144 119.786 118.600 0.070 0.000 3.757 888 c HA 0.006 4.605 4.570 0.047 0.000 0.358 888 c C 1.694 175.866 174.090 0.137 0.000 1.484 888 c CA -0.187 56.200 56.329 0.097 0.000 1.862 888 c CB -0.086 42.449 42.510 0.041 0.000 2.654 888 c HN 0.673 nan 8.230 nan 0.000 0.699 889 E N 1.228 121.491 120.200 0.105 0.000 2.494 889 E HA 0.090 4.468 4.350 0.047 0.000 0.193 889 E C 1.221 177.906 176.600 0.143 0.000 1.074 889 E CA 0.547 57.012 56.400 0.108 0.000 0.867 889 E CB -0.408 29.331 29.700 0.066 0.000 0.924 889 E HN 0.600 nan 8.360 nan 0.000 0.502 890 I N -0.103 120.564 120.570 0.162 0.000 2.567 890 I HA -0.175 4.024 4.170 0.047 0.000 0.257 890 I C 1.051 177.184 176.117 0.027 0.000 1.184 890 I CA 0.823 62.174 61.300 0.086 0.000 1.451 890 I CB -0.250 37.725 38.000 -0.041 0.000 1.089 890 I HN 0.122 nan 8.210 nan 0.000 0.441 891 F N 0.562 120.507 119.950 -0.010 0.000 2.780 891 F HA 0.044 4.600 4.527 0.049 0.000 0.299 891 F C 1.471 177.296 175.800 0.042 0.000 1.146 891 F CA 0.542 58.538 58.000 -0.006 0.000 1.428 891 F CB 0.031 39.012 39.000 -0.031 0.000 1.115 891 F HN 0.054 nan 8.300 nan 0.000 0.583 892 E N 0.521 120.837 120.200 0.194 0.000 4.129 892 E HA 0.492 4.870 4.350 0.047 0.000 0.222 892 E C -1.056 175.593 176.600 0.083 0.000 1.179 892 E CA -0.246 56.227 56.400 0.123 0.000 1.334 892 E CB 0.157 29.916 29.700 0.099 0.000 1.202 892 E HN 0.065 nan 8.360 nan 0.000 0.428 893 A N 1.952 124.821 122.820 0.082 0.000 2.318 893 A HA 0.549 4.897 4.320 0.047 0.000 0.317 893 A C -2.345 175.241 177.584 0.003 0.000 1.159 893 A CA -1.611 50.456 52.037 0.050 0.000 0.799 893 A CB 0.698 19.745 19.000 0.078 0.000 1.194 893 A HN 0.220 nan 8.150 nan 0.000 0.479 894 P HA 0.146 nan 4.420 nan 0.000 0.237 894 P C -0.014 177.238 177.300 -0.080 0.000 1.701 894 P CA 0.757 63.836 63.100 -0.035 0.000 0.955 894 P CB 0.001 31.690 31.700 -0.019 0.000 1.937 895 E N 0.336 120.444 120.200 -0.153 0.000 3.590 895 E HA 0.059 4.438 4.350 0.047 0.000 0.223 895 E C -1.291 174.962 176.600 -0.578 0.000 1.195 895 E CA 0.027 56.259 56.400 -0.279 0.000 1.670 895 E CB -0.669 28.902 29.700 -0.215 0.000 1.578 895 E HN 0.185 nan 8.360 nan 0.000 0.763 896 P HA -0.055 nan 4.420 nan 0.000 0.231 896 P C 1.047 177.972 177.300 -0.625 0.000 1.158 896 P CA 1.212 63.588 63.100 -1.207 0.000 0.763 896 P CB -0.022 30.879 31.700 -1.331 0.000 0.805 897 M N -1.875 117.516 119.600 -0.349 0.000 2.394 897 M HA -0.044 4.465 4.480 0.047 0.000 0.266 897 M C 2.182 178.396 176.300 -0.143 0.000 1.098 897 M CA 1.313 56.506 55.300 -0.177 0.000 1.149 897 M CB -0.920 31.632 32.600 -0.079 0.000 1.369 897 M HN -0.093 nan 8.290 nan 0.000 0.450 898 T N 0.748 115.203 114.554 -0.166 0.000 2.822 898 T HA -0.193 4.186 4.350 0.047 0.000 0.270 898 T C 1.783 176.421 174.700 -0.103 0.000 1.064 898 T CA 1.196 63.242 62.100 -0.091 0.000 1.131 898 T CB 0.000 68.810 68.868 -0.097 0.000 0.858 898 T HN 0.143 nan 8.240 nan 0.000 0.483 899 M N 0.932 120.423 119.600 -0.183 0.000 2.084 899 M HA -0.038 4.471 4.480 0.047 0.000 0.259 899 M C 2.743 178.962 176.300 -0.135 0.000 1.072 899 M CA 2.149 57.353 55.300 -0.161 0.000 1.107 899 M CB -1.701 30.809 32.600 -0.149 0.000 1.299 899 M HN 0.424 nan 8.290 nan 0.000 0.413 900 A N -0.129 122.630 122.820 -0.102 0.000 1.851 900 A HA -0.203 4.146 4.320 0.047 0.000 0.216 900 A C 2.225 179.770 177.584 -0.065 0.000 1.195 900 A CA 1.753 53.744 52.037 -0.076 0.000 0.622 900 A CB -1.256 17.719 19.000 -0.041 0.000 0.831 900 A HN 0.445 nan 8.150 nan 0.000 0.444 901 L N -0.019 121.196 121.223 -0.012 0.000 2.064 901 L HA -0.227 4.141 4.340 0.047 0.000 0.216 901 L C 2.779 179.615 176.870 -0.058 0.000 1.077 901 L CA 2.441 57.310 54.840 0.049 0.000 0.766 901 L CB -0.551 41.619 42.059 0.185 0.000 0.890 901 L HN 0.448 nan 8.230 nan 0.000 0.435 902 S N -1.596 114.062 115.700 -0.070 0.000 2.348 902 S HA -0.165 4.333 4.470 0.047 0.000 0.221 902 S C 1.973 176.381 174.600 -0.320 0.000 1.033 902 S CA 1.532 59.589 58.200 -0.239 0.000 1.010 902 S CB -0.356 62.660 63.200 -0.306 0.000 0.891 902 S HN 0.289 nan 8.310 nan 0.000 0.442 903 V N 2.299 122.068 119.914 -0.241 0.000 2.332 903 V HA -0.150 3.998 4.120 0.047 0.000 0.248 903 V C 2.406 178.406 176.094 -0.157 0.000 1.055 903 V CA 1.765 63.945 62.300 -0.200 0.000 1.038 903 V CB -0.924 30.799 31.823 -0.167 0.000 0.651 903 V HN 0.416 nan 8.190 nan 0.000 0.450 904 L N 0.706 121.845 121.223 -0.139 0.000 1.951 904 L HA -0.174 4.194 4.340 0.047 0.000 0.222 904 L C 1.928 178.727 176.870 -0.119 0.000 1.078 904 L CA 2.031 56.812 54.840 -0.099 0.000 0.778 904 L CB -0.614 41.405 42.059 -0.065 0.000 0.893 904 L HN 0.224 nan 8.230 nan 0.000 0.436 905 V N -0.176 119.613 119.914 -0.207 0.000 3.306 905 V HA -0.076 4.073 4.120 0.047 0.000 0.309 905 V C 1.165 177.152 176.094 -0.178 0.000 1.173 905 V CA 1.308 63.475 62.300 -0.222 0.000 1.324 905 V CB -1.914 29.637 31.823 -0.454 0.000 1.036 905 V HN 0.669 nan 8.190 nan 0.000 0.420 906 T N -0.321 114.162 114.554 -0.119 0.000 3.550 906 T HA 0.145 4.524 4.350 0.047 0.000 0.261 906 T C 1.657 176.347 174.700 -0.017 0.000 0.990 906 T CA 0.575 62.630 62.100 -0.076 0.000 1.142 906 T CB -0.033 68.766 68.868 -0.115 0.000 1.173 906 T HN 0.383 nan 8.240 nan 0.000 0.405 907 I N 1.182 121.742 120.570 -0.016 0.000 2.248 907 I HA -0.102 4.097 4.170 0.047 0.000 0.248 907 I C 2.150 178.310 176.117 0.071 0.000 1.107 907 I CA 1.655 62.976 61.300 0.035 0.000 1.373 907 I CB -0.433 37.584 38.000 0.028 0.000 1.055 907 I HN 0.062 nan 8.210 nan 0.000 0.418 908 E N 0.854 121.092 120.200 0.064 0.000 2.158 908 E HA -0.050 4.329 4.350 0.047 0.000 0.191 908 E C 2.266 178.993 176.600 0.212 0.000 0.982 908 E CA 0.916 57.406 56.400 0.150 0.000 0.823 908 E CB -0.205 29.537 29.700 0.070 0.000 0.766 908 E HN 0.472 nan 8.360 nan 0.000 0.468 909 M N 0.260 119.921 119.600 0.101 0.000 2.086 909 M HA -0.145 4.363 4.480 0.047 0.000 0.261 909 M C 2.490 178.823 176.300 0.055 0.000 1.067 909 M CA 1.072 56.413 55.300 0.069 0.000 1.116 909 M CB -1.416 31.198 32.600 0.024 0.000 1.348 909 M HN 0.167 nan 8.290 nan 0.000 0.407 910 C N -0.113 119.221 119.300 0.057 0.000 2.457 910 C HA -0.065 4.424 4.460 0.047 0.000 0.278 910 C C 2.431 177.451 174.990 0.050 0.000 1.309 910 C CA 0.772 59.817 59.018 0.045 0.000 1.735 910 C CB -1.571 26.197 27.740 0.045 0.000 1.992 910 C HN 0.584 nan 8.230 nan 0.000 0.493 911 N N 1.078 119.845 118.700 0.112 0.000 2.453 911 N HA -0.020 4.748 4.740 0.047 0.000 0.183 911 N C 1.550 177.102 175.510 0.071 0.000 1.041 911 N CA 1.217 54.370 53.050 0.171 0.000 0.900 911 N CB -0.124 38.545 38.487 0.303 0.000 0.961 911 N HN 0.520 nan 8.380 nan 0.000 0.443 912 A N -0.393 122.387 122.820 -0.068 0.000 2.021 912 A HA 0.134 4.482 4.320 0.047 0.000 0.216 912 A C 1.990 179.426 177.584 -0.247 0.000 1.163 912 A CA 0.324 52.075 52.037 -0.477 0.000 0.676 912 A CB -0.285 18.519 19.000 -0.326 0.000 0.818 912 A HN 0.290 nan 8.150 nan 0.000 0.453 913 L N 0.028 121.190 121.223 -0.103 0.000 2.291 913 L HA -0.076 4.292 4.340 0.047 0.000 0.214 913 L C 1.323 178.153 176.870 -0.067 0.000 1.120 913 L CA 0.603 55.408 54.840 -0.059 0.000 0.799 913 L CB -0.340 41.714 42.059 -0.008 0.000 0.925 913 L HN 0.370 nan 8.230 nan 0.000 0.446 914 N N -1.126 117.534 118.700 -0.067 0.000 2.336 914 N HA 0.007 4.776 4.740 0.047 0.000 0.189 914 N C 0.825 176.296 175.510 -0.064 0.000 1.113 914 N CA 0.261 53.279 53.050 -0.053 0.000 0.858 914 N CB 0.554 39.029 38.487 -0.019 0.000 0.970 914 N HN 0.069 nan 8.380 nan 0.000 0.471 915 S N 0.725 116.349 115.700 -0.127 0.000 2.667 915 S HA 0.322 4.821 4.470 0.047 0.000 0.251 915 S C 1.415 175.955 174.600 -0.099 0.000 1.075 915 S CA -0.183 57.933 58.200 -0.140 0.000 1.130 915 S CB 0.011 62.984 63.200 -0.378 0.000 0.795 915 S HN 0.250 nan 8.310 nan 0.000 0.462 916 L N -0.936 120.240 121.223 -0.078 0.000 2.600 916 L HA 0.325 4.693 4.340 0.047 0.000 0.213 916 L C 1.173 178.008 176.870 -0.059 0.000 1.045 916 L CA 0.210 55.010 54.840 -0.067 0.000 0.863 916 L CB 0.131 42.141 42.059 -0.083 0.000 1.189 916 L HN 0.255 nan 8.230 nan 0.000 0.484 917 S N -1.080 114.581 115.700 -0.064 0.000 2.806 917 S HA 0.309 4.807 4.470 0.047 0.000 0.315 917 S C 0.269 174.842 174.600 -0.044 0.000 1.127 917 S CA -0.439 57.725 58.200 -0.060 0.000 0.918 917 S CB 2.030 65.178 63.200 -0.086 0.000 1.240 917 S HN 0.251 nan 8.310 nan 0.000 0.552 918 E N -0.862 119.315 120.200 -0.038 0.000 2.603 918 E HA 0.236 4.615 4.350 0.047 0.000 0.218 918 E C 0.086 176.675 176.600 -0.017 0.000 0.878 918 E CA 0.086 56.474 56.400 -0.020 0.000 1.348 918 E CB 0.216 29.918 29.700 0.005 0.000 1.318 918 E HN 0.594 nan 8.360 nan 0.000 0.673 919 N N -0.223 118.454 118.700 -0.038 0.000 2.441 919 N HA 0.031 4.800 4.740 0.047 0.000 0.257 919 N C -0.184 175.236 175.510 -0.151 0.000 1.058 919 N CA -0.012 53.013 53.050 -0.040 0.000 0.853 919 N CB 0.316 38.806 38.487 0.005 0.000 1.694 919 N HN 0.008 nan 8.380 nan 0.000 0.542 920 Q N 1.901 121.607 119.800 -0.156 0.000 2.330 920 Q HA 0.204 4.573 4.340 0.047 0.000 0.279 920 Q C 0.086 175.899 176.000 -0.312 0.000 1.024 920 Q CA 0.237 55.898 55.803 -0.237 0.000 0.900 920 Q CB 0.716 29.362 28.738 -0.154 0.000 1.221 920 Q HN 0.148 nan 8.270 nan 0.000 0.396 921 S N 1.679 117.091 115.700 -0.480 0.000 2.592 921 S HA -0.028 4.470 4.470 0.047 0.000 0.256 921 S C 1.111 175.586 174.600 -0.209 0.000 1.369 921 S CA -0.418 57.531 58.200 -0.418 0.000 0.984 921 S CB 0.298 63.223 63.200 -0.458 0.000 0.919 921 S HN 0.454 nan 8.310 nan 0.000 0.576 922 L N 0.455 121.601 121.223 -0.129 0.000 2.478 922 L HA 0.099 4.467 4.340 0.047 0.000 0.223 922 L C 2.041 178.876 176.870 -0.059 0.000 1.140 922 L CA 0.937 55.729 54.840 -0.081 0.000 0.842 922 L CB -0.372 41.672 42.059 -0.026 0.000 0.953 922 L HN 0.529 nan 8.230 nan 0.000 0.452 923 M N -1.443 118.131 119.600 -0.043 0.000 2.476 923 M HA 0.049 4.557 4.480 0.047 0.000 0.262 923 M C 2.123 178.397 176.300 -0.043 0.000 1.111 923 M CA 1.108 56.410 55.300 0.003 0.000 1.127 923 M CB -0.537 32.090 32.600 0.045 0.000 1.376 923 M HN 0.160 nan 8.290 nan 0.000 0.465 924 R N -0.685 119.759 120.500 -0.093 0.000 2.140 924 R HA 0.160 4.528 4.340 0.047 0.000 0.213 924 R C 0.221 176.435 176.300 -0.144 0.000 1.059 924 R CA 0.629 56.666 56.100 -0.104 0.000 1.000 924 R CB 0.409 30.632 30.300 -0.127 0.000 0.910 924 R HN 0.223 nan 8.270 nan 0.000 0.455 925 M N 2.277 121.774 119.600 -0.172 0.000 2.325 925 M HA 0.290 4.799 4.480 0.047 0.000 0.305 925 M C -2.488 173.634 176.300 -0.296 0.000 1.047 925 M CA -2.819 52.355 55.300 -0.210 0.000 0.981 925 M CB 1.219 33.720 32.600 -0.166 0.000 1.307 925 M HN -0.285 nan 8.290 nan 0.000 0.418 926 P HA 0.063 nan 4.420 nan 0.000 0.257 926 P C -1.995 174.901 177.300 -0.673 0.000 1.189 926 P CA -0.662 61.853 63.100 -0.976 0.000 0.780 926 P CB -0.307 30.140 31.700 -2.089 0.000 0.772 927 P HA -0.098 nan 4.420 nan 0.000 0.240 927 P C 0.208 177.567 177.300 0.098 0.000 1.186 927 P CA 0.960 64.048 63.100 -0.019 0.000 0.755 927 P CB -0.683 31.067 31.700 0.083 0.000 0.870 928 W N -3.492 117.801 121.300 -0.011 0.000 2.862 928 W HA 0.359 5.042 4.660 0.039 0.000 0.376 928 W C 0.841 177.359 176.519 -0.001 0.000 1.028 928 W CA -0.251 57.088 57.345 -0.010 0.000 1.757 928 W CB -0.970 28.483 29.460 -0.012 0.000 1.128 928 W HN -0.388 nan 8.180 nan 0.000 0.566 929 V N 2.259 121.950 119.914 -0.371 0.000 2.220 929 V HA -0.306 3.842 4.120 0.047 0.000 0.246 929 V C 1.623 177.688 176.094 -0.049 0.000 1.049 929 V CA 2.029 64.169 62.300 -0.267 0.000 1.003 929 V CB -0.920 30.733 31.823 -0.284 0.000 0.634 929 V HN 0.332 nan 8.190 nan 0.000 0.444 930 N N 1.680 120.366 118.700 -0.023 0.000 2.454 930 N HA -0.043 4.725 4.740 0.047 0.000 0.285 930 N C 0.928 176.500 175.510 0.103 0.000 1.233 930 N CA 0.045 53.133 53.050 0.063 0.000 1.036 930 N CB 0.384 38.905 38.487 0.056 0.000 1.423 930 N HN 0.223 nan 8.380 nan 0.000 0.495 931 I N 1.562 122.203 120.570 0.119 0.000 2.399 931 I HA -0.254 3.945 4.170 0.047 0.000 0.254 931 I C 1.438 177.556 176.117 0.001 0.000 1.146 931 I CA 0.925 62.265 61.300 0.066 0.000 1.412 931 I CB -0.870 37.155 38.000 0.042 0.000 1.076 931 I HN 0.547 nan 8.210 nan 0.000 0.432 932 W N 0.043 121.309 121.300 -0.056 0.000 2.584 932 W HA -0.056 4.631 4.660 0.045 0.000 0.264 932 W C 2.312 178.799 176.519 -0.053 0.000 1.264 932 W CA 0.167 57.453 57.345 -0.098 0.000 1.306 932 W CB -0.370 28.986 29.460 -0.174 0.000 1.110 932 W HN 0.046 nan 8.180 nan 0.000 0.606 933 L N 0.097 121.412 121.223 0.154 0.000 2.056 933 L HA -0.100 4.268 4.340 0.047 0.000 0.207 933 L C 1.986 178.874 176.870 0.031 0.000 1.078 933 L CA 1.959 56.844 54.840 0.075 0.000 0.749 933 L CB -0.962 41.120 42.059 0.038 0.000 0.901 933 L HN -0.037 nan 8.230 nan 0.000 0.433 934 L N -1.001 120.234 121.223 0.021 0.000 2.093 934 L HA -0.041 4.327 4.340 0.047 0.000 0.208 934 L C 2.536 179.374 176.870 -0.053 0.000 1.085 934 L CA 1.058 55.897 54.840 -0.002 0.000 0.755 934 L CB -1.558 40.512 42.059 0.017 0.000 0.904 934 L HN 0.416 nan 8.230 nan 0.000 0.435 935 G N 0.102 108.834 108.800 -0.113 0.000 2.462 935 G HA2 -0.283 3.705 3.960 0.047 0.000 0.220 935 G HA3 -0.283 3.705 3.960 0.047 0.000 0.220 935 G C 1.798 176.610 174.900 -0.148 0.000 1.121 935 G CA 1.219 46.181 45.100 -0.231 0.000 0.758 935 G HN 0.529 nan 8.290 nan 0.000 0.559 936 S N -0.123 115.546 115.700 -0.053 0.000 2.427 936 S HA 0.155 4.653 4.470 0.047 0.000 0.224 936 S C 2.275 176.869 174.600 -0.010 0.000 1.047 936 S CA 0.341 58.537 58.200 -0.006 0.000 0.953 936 S CB -0.238 62.992 63.200 0.050 0.000 0.824 936 S HN 0.279 nan 8.310 nan 0.000 0.502 937 I N 1.583 122.147 120.570 -0.009 0.000 2.113 937 I HA -0.213 3.986 4.170 0.047 0.000 0.238 937 I C 2.753 178.857 176.117 -0.022 0.000 1.070 937 I CA 1.117 62.412 61.300 -0.008 0.000 1.332 937 I CB -0.786 37.213 38.000 -0.001 0.000 1.044 937 I HN 0.396 nan 8.210 nan 0.000 0.402 938 C N 0.478 119.760 119.300 -0.030 0.000 2.363 938 C HA -0.245 4.243 4.460 0.047 0.000 0.274 938 C C 2.820 177.789 174.990 -0.034 0.000 1.183 938 C CA 1.226 60.223 59.018 -0.035 0.000 1.771 938 C CB -1.038 26.674 27.740 -0.047 0.000 2.059 938 C HN 0.465 nan 8.230 nan 0.000 0.455 939 L N 0.574 121.777 121.223 -0.035 0.000 1.989 939 L HA -0.134 4.235 4.340 0.047 0.000 0.211 939 L C 2.747 179.618 176.870 0.002 0.000 1.071 939 L CA 2.497 57.327 54.840 -0.018 0.000 0.749 939 L CB -0.954 41.091 42.059 -0.022 0.000 0.890 939 L HN 0.402 nan 8.230 nan 0.000 0.431 940 S N -1.257 114.443 115.700 0.000 0.000 2.359 940 S HA -0.243 4.255 4.470 0.047 0.000 0.222 940 S C 2.075 176.673 174.600 -0.004 0.000 1.038 940 S CA 1.859 60.069 58.200 0.017 0.000 1.051 940 S CB -0.220 62.986 63.200 0.009 0.000 0.944 940 S HN 0.405 nan 8.310 nan 0.000 0.433 941 M N 1.266 120.822 119.600 -0.074 0.000 2.144 941 M HA -0.079 4.429 4.480 0.047 0.000 0.260 941 M C 2.511 178.617 176.300 -0.323 0.000 1.067 941 M CA 1.539 56.714 55.300 -0.208 0.000 1.095 941 M CB -1.936 30.526 32.600 -0.229 0.000 1.365 941 M HN 0.473 nan 8.290 nan 0.000 0.406 942 S N 0.451 116.064 115.700 -0.145 0.000 2.419 942 S HA -0.085 4.414 4.470 0.047 0.000 0.235 942 S C 1.891 176.515 174.600 0.040 0.000 1.019 942 S CA 0.852 59.035 58.200 -0.028 0.000 0.982 942 S CB -0.116 63.099 63.200 0.025 0.000 0.789 942 S HN 0.480 nan 8.310 nan 0.000 0.490 943 L N -0.102 121.166 121.223 0.075 0.000 2.072 943 L HA 0.016 4.384 4.340 0.047 0.000 0.205 943 L C 2.518 179.461 176.870 0.120 0.000 1.079 943 L CA 1.511 56.466 54.840 0.192 0.000 0.752 943 L CB -0.701 41.592 42.059 0.390 0.000 0.906 943 L HN 0.350 nan 8.230 nan 0.000 0.436 944 H N -0.376 118.677 119.070 -0.028 0.000 2.521 944 H HA -0.078 4.509 4.556 0.052 0.000 0.286 944 H C 1.903 177.253 175.328 0.035 0.000 1.034 944 H CA 1.340 57.348 56.048 -0.066 0.000 1.278 944 H CB 0.043 29.748 29.762 -0.096 0.000 1.386 944 H HN 0.249 nan 8.280 nan 0.000 0.567 945 F N -1.683 118.257 119.950 -0.017 0.000 2.317 945 F HA -0.055 4.501 4.527 0.048 0.000 0.293 945 F C 2.050 177.771 175.800 -0.132 0.000 1.085 945 F CA -0.172 57.761 58.000 -0.111 0.000 1.390 945 F CB 0.132 39.023 39.000 -0.182 0.000 1.077 945 F HN 0.163 nan 8.300 nan 0.000 0.517 946 L N 1.146 122.410 121.223 0.067 0.000 2.127 946 L HA -0.149 4.219 4.340 0.047 0.000 0.211 946 L C 1.395 178.183 176.870 -0.137 0.000 1.089 946 L CA 1.705 56.533 54.840 -0.020 0.000 0.757 946 L CB -0.536 41.508 42.059 -0.025 0.000 0.899 946 L HN 0.175 nan 8.230 nan 0.000 0.434 947 I N -3.685 116.696 120.570 -0.314 0.000 3.850 947 I HA 0.283 4.482 4.170 0.047 0.000 0.333 947 I C 0.556 176.453 176.117 -0.366 0.000 1.511 947 I CA 0.318 61.297 61.300 -0.534 0.000 1.199 947 I CB 0.440 37.642 38.000 -1.330 0.000 1.217 947 I HN 0.057 nan 8.210 nan 0.000 0.423 948 L N -1.330 119.824 121.223 -0.115 0.000 3.679 948 L HA 0.350 4.719 4.340 0.047 0.000 0.342 948 L C 0.812 177.801 176.870 0.199 0.000 1.170 948 L CA 0.665 55.517 54.840 0.021 0.000 1.221 948 L CB 0.231 42.345 42.059 0.092 0.000 1.654 948 L HN 0.153 nan 8.230 nan 0.000 0.628 949 Y N -1.435 118.814 120.300 -0.086 0.000 2.736 949 Y HA 0.401 4.979 4.550 0.047 0.000 0.272 949 Y C 0.920 176.773 175.900 -0.078 0.000 1.118 949 Y CA 0.097 58.140 58.100 -0.094 0.000 1.248 949 Y CB 0.602 38.988 38.460 -0.123 0.000 1.437 949 Y HN -0.287 nan 8.280 nan 0.000 0.481 950 V N 3.327 123.293 119.914 0.086 0.000 2.229 950 V HA -0.024 4.125 4.120 0.047 0.000 0.245 950 V C 0.723 176.807 176.094 -0.017 0.000 1.243 950 V CA -0.148 62.163 62.300 0.019 0.000 1.176 950 V CB -0.501 31.330 31.823 0.014 0.000 1.323 950 V HN 0.387 nan 8.190 nan 0.000 0.499 951 D N 4.804 125.185 120.400 -0.032 0.000 2.558 951 D HA -0.236 4.432 4.640 0.047 0.000 0.190 951 D C -0.581 175.704 176.300 -0.024 0.000 1.047 951 D CA 1.969 55.947 54.000 -0.036 0.000 0.880 951 D CB -1.094 39.680 40.800 -0.043 0.000 0.926 951 D HN 0.463 nan 8.370 nan 0.000 0.465 952 P HA -0.087 nan 4.420 nan 0.000 0.231 952 P C 1.163 178.462 177.300 -0.002 0.000 1.154 952 P CA 0.887 63.981 63.100 -0.010 0.000 0.762 952 P CB -0.061 31.635 31.700 -0.007 0.000 0.790 953 L N -1.337 119.877 121.223 -0.017 0.000 2.666 953 L HA 0.216 4.585 4.340 0.047 0.000 0.184 953 L C -0.836 176.039 176.870 0.007 0.000 1.092 953 L CA 0.121 54.949 54.840 -0.020 0.000 0.857 953 L CB -1.570 40.414 42.059 -0.124 0.000 1.281 953 L HN -0.159 nan 8.230 nan 0.000 0.489 954 P HA -0.192 nan 4.420 nan 0.000 0.222 954 P C 1.526 178.856 177.300 0.050 0.000 1.142 954 P CA 1.633 64.709 63.100 -0.041 0.000 0.788 954 P CB 0.015 31.678 31.700 -0.061 0.000 0.767 955 M N -0.991 118.634 119.600 0.043 0.000 2.200 955 M HA -0.033 4.475 4.480 0.047 0.000 0.265 955 M C 2.151 178.482 176.300 0.052 0.000 1.066 955 M CA 1.515 56.834 55.300 0.031 0.000 1.127 955 M CB -0.472 32.131 32.600 0.005 0.000 1.379 955 M HN -0.111 nan 8.290 nan 0.000 0.420 956 I N -1.184 119.447 120.570 0.102 0.000 3.111 956 I HA -0.156 4.042 4.170 0.047 0.000 0.272 956 I C 1.061 177.174 176.117 -0.006 0.000 1.268 956 I CA 0.805 62.137 61.300 0.053 0.000 1.467 956 I CB -0.174 37.863 38.000 0.061 0.000 1.087 956 I HN 0.142 nan 8.210 nan 0.000 0.467 957 F N 1.065 120.969 119.950 -0.076 0.000 2.678 957 F HA 0.199 4.753 4.527 0.046 0.000 0.305 957 F C 0.456 176.226 175.800 -0.050 0.000 1.090 957 F CA -0.621 57.337 58.000 -0.070 0.000 1.272 957 F CB -0.040 38.887 39.000 -0.121 0.000 1.060 957 F HN -0.200 nan 8.300 nan 0.000 0.576 958 K N 1.278 121.736 120.400 0.097 0.000 4.387 958 K HA -0.156 4.192 4.320 0.047 0.000 0.290 958 K C -1.172 175.445 176.600 0.028 0.000 0.936 958 K CA 0.488 56.797 56.287 0.037 0.000 0.890 958 K CB -1.736 30.772 32.500 0.014 0.000 1.617 958 K HN 0.300 nan 8.250 nan 0.000 0.437 959 L N -0.486 120.748 121.223 0.018 0.000 2.491 959 L HA 0.604 4.972 4.340 0.047 0.000 0.254 959 L C -0.420 176.436 176.870 -0.024 0.000 1.048 959 L CA -1.249 53.583 54.840 -0.013 0.000 0.855 959 L CB 2.500 44.551 42.059 -0.014 0.000 1.466 959 L HN 0.092 nan 8.230 nan 0.000 0.409 960 K N 0.484 120.871 120.400 -0.022 0.000 2.550 960 K HA 0.582 4.931 4.320 0.047 0.000 0.252 960 K C -1.140 175.500 176.600 0.068 0.000 0.943 960 K CA -0.720 55.567 56.287 0.001 0.000 0.806 960 K CB 2.393 34.878 32.500 -0.024 0.000 1.289 960 K HN 0.682 nan 8.250 nan 0.000 0.435 961 A N 4.535 127.418 122.820 0.104 0.000 2.496 961 A HA 0.128 4.477 4.320 0.047 0.000 0.278 961 A C 0.293 178.034 177.584 0.262 0.000 1.137 961 A CA 0.002 52.176 52.037 0.229 0.000 0.805 961 A CB -0.617 18.487 19.000 0.174 0.000 1.077 961 A HN 0.638 nan 8.150 nan 0.000 0.513 962 L N 2.287 123.751 121.223 0.401 0.000 2.506 962 L HA 0.030 4.398 4.340 0.047 0.000 0.281 962 L C 0.990 178.130 176.870 0.451 0.000 1.228 962 L CA -0.191 54.892 54.840 0.405 0.000 0.850 962 L CB 0.212 42.479 42.059 0.347 0.000 1.110 962 L HN 0.653 nan 8.230 nan 0.000 0.496 963 D N 1.210 121.816 120.400 0.343 0.000 2.362 963 D HA -0.011 4.657 4.640 0.047 0.000 0.242 963 D C 0.860 177.334 176.300 0.290 0.000 1.132 963 D CA -0.315 53.834 54.000 0.249 0.000 0.907 963 D CB 1.360 42.279 40.800 0.198 0.000 1.195 963 D HN 0.403 nan 8.370 nan 0.000 0.429 964 L N 3.075 124.386 121.223 0.147 0.000 2.197 964 L HA -0.210 4.158 4.340 0.047 0.000 0.215 964 L C 2.024 179.005 176.870 0.185 0.000 1.095 964 L CA 1.874 56.777 54.840 0.105 0.000 0.764 964 L CB -0.477 41.596 42.059 0.024 0.000 0.897 964 L HN 0.451 nan 8.230 nan 0.000 0.436 965 T N -1.354 113.317 114.554 0.195 0.000 2.904 965 T HA -0.128 4.251 4.350 0.047 0.000 0.267 965 T C 1.758 176.614 174.700 0.259 0.000 1.059 965 T CA 1.375 63.594 62.100 0.199 0.000 1.137 965 T CB -0.067 68.909 68.868 0.181 0.000 0.879 965 T HN 0.515 nan 8.240 nan 0.000 0.467 966 Q N -0.364 119.632 119.800 0.326 0.000 2.062 966 Q HA -0.047 4.321 4.340 0.047 0.000 0.196 966 Q C 2.057 178.137 176.000 0.132 0.000 0.967 966 Q CA 1.066 57.049 55.803 0.301 0.000 0.832 966 Q CB -0.220 28.750 28.738 0.388 0.000 0.899 966 Q HN 0.528 nan 8.270 nan 0.000 0.442 967 W N 1.001 122.324 121.300 0.037 0.000 2.331 967 W HA -0.202 4.486 4.660 0.048 0.000 0.291 967 W C 1.973 178.474 176.519 -0.030 0.000 1.214 967 W CA 0.784 58.135 57.345 0.010 0.000 1.228 967 W CB -0.469 29.027 29.460 0.059 0.000 1.135 967 W HN 0.189 nan 8.180 nan 0.000 0.537 968 L N -0.253 121.089 121.223 0.198 0.000 2.131 968 L HA -0.180 4.188 4.340 0.047 0.000 0.210 968 L C 2.317 179.178 176.870 -0.016 0.000 1.092 968 L CA 1.875 56.775 54.840 0.099 0.000 0.759 968 L CB -0.836 41.283 42.059 0.100 0.000 0.903 968 L HN 0.013 nan 8.230 nan 0.000 0.435 969 M N -1.619 117.903 119.600 -0.130 0.000 2.229 969 M HA -0.093 4.415 4.480 0.047 0.000 0.264 969 M C 1.952 178.042 176.300 -0.349 0.000 1.063 969 M CA 1.580 56.677 55.300 -0.339 0.000 1.114 969 M CB -0.408 31.689 32.600 -0.837 0.000 1.387 969 M HN 0.063 nan 8.290 nan 0.000 0.420 970 V N 0.430 120.157 119.914 -0.311 0.000 2.469 970 V HA -0.286 3.862 4.120 0.047 0.000 0.251 970 V C 2.313 178.314 176.094 -0.154 0.000 1.064 970 V CA 1.741 63.874 62.300 -0.278 0.000 1.066 970 V CB -1.047 30.578 31.823 -0.330 0.000 0.667 970 V HN 0.541 nan 8.190 nan 0.000 0.461 971 L N -0.840 120.335 121.223 -0.079 0.000 2.217 971 L HA -0.031 4.338 4.340 0.047 0.000 0.211 971 L C 2.396 179.254 176.870 -0.021 0.000 1.107 971 L CA 0.998 55.825 54.840 -0.021 0.000 0.783 971 L CB -0.560 41.513 42.059 0.024 0.000 0.919 971 L HN 0.175 nan 8.230 nan 0.000 0.442 972 K N 0.164 120.534 120.400 -0.050 0.000 2.459 972 K HA 0.057 4.405 4.320 0.047 0.000 0.193 972 K C 1.626 178.214 176.600 -0.021 0.000 1.030 972 K CA 0.502 56.773 56.287 -0.026 0.000 1.026 972 K CB 0.378 32.857 32.500 -0.036 0.000 0.809 972 K HN 0.200 nan 8.250 nan 0.000 0.504 973 I N -0.591 119.941 120.570 -0.063 0.000 3.445 973 I HA -0.012 4.187 4.170 0.047 0.000 0.288 973 I C 1.251 177.369 176.117 0.001 0.000 1.198 973 I CA 0.688 61.949 61.300 -0.064 0.000 1.417 973 I CB 0.063 37.960 38.000 -0.171 0.000 1.205 973 I HN -0.117 nan 8.210 nan 0.000 0.448 974 S N 1.597 117.290 115.700 -0.012 0.000 2.294 974 S HA 0.049 4.547 4.470 0.047 0.000 0.203 974 S C 1.860 176.518 174.600 0.097 0.000 1.022 974 S CA 0.399 58.622 58.200 0.038 0.000 0.955 974 S CB -0.383 62.803 63.200 -0.024 0.000 0.943 974 S HN 0.250 nan 8.310 nan 0.000 0.472 975 L N 2.052 123.306 121.223 0.051 0.000 2.149 975 L HA -0.186 4.182 4.340 0.047 0.000 0.223 975 L C -0.889 176.010 176.870 0.049 0.000 1.089 975 L CA 2.117 56.985 54.840 0.047 0.000 0.800 975 L CB -2.870 39.210 42.059 0.035 0.000 0.897 975 L HN 0.255 nan 8.230 nan 0.000 0.443 976 P HA -0.108 nan 4.420 nan 0.000 0.226 976 P C 1.985 179.221 177.300 -0.106 0.000 1.146 976 P CA 0.639 63.754 63.100 0.025 0.000 0.773 976 P CB 0.009 31.772 31.700 0.105 0.000 0.772 977 V N 0.033 119.937 119.914 -0.017 0.000 2.332 977 V HA -0.234 3.914 4.120 0.047 0.000 0.248 977 V C 1.837 177.843 176.094 -0.146 0.000 1.055 977 V CA 1.763 63.978 62.300 -0.142 0.000 1.038 977 V CB -0.850 31.049 31.823 0.127 0.000 0.651 977 V HN 0.036 nan 8.190 nan 0.000 0.450 978 I N 0.607 121.143 120.570 -0.056 0.000 2.916 978 I HA -0.054 4.144 4.170 0.047 0.000 0.267 978 I C 2.309 178.392 176.117 -0.056 0.000 1.263 978 I CA 0.895 62.172 61.300 -0.040 0.000 1.471 978 I CB -1.114 36.884 38.000 -0.004 0.000 1.089 978 I HN 0.437 nan 8.210 nan 0.000 0.468 979 G N 1.692 110.435 108.800 -0.095 0.000 2.556 979 G HA2 -0.234 3.755 3.960 0.047 0.000 0.215 979 G HA3 -0.234 3.755 3.960 0.047 0.000 0.215 979 G C 1.486 176.329 174.900 -0.094 0.000 1.258 979 G CA 0.372 45.421 45.100 -0.084 0.000 0.811 979 G HN 0.257 nan 8.290 nan 0.000 0.557 980 L N 1.184 122.301 121.223 -0.175 0.000 2.127 980 L HA -0.062 4.307 4.340 0.047 0.000 0.211 980 L C 2.191 178.992 176.870 -0.114 0.000 1.089 980 L CA 2.584 57.332 54.840 -0.153 0.000 0.757 980 L CB -0.751 41.162 42.059 -0.244 0.000 0.899 980 L HN 0.418 nan 8.230 nan 0.000 0.434 981 D N -0.659 119.664 120.400 -0.129 0.000 2.120 981 D HA -0.314 4.354 4.640 0.047 0.000 0.191 981 D C 2.091 178.368 176.300 -0.038 0.000 0.994 981 D CA 1.726 55.667 54.000 -0.098 0.000 0.838 981 D CB -0.128 40.626 40.800 -0.077 0.000 0.976 981 D HN 0.409 nan 8.370 nan 0.000 0.447 982 E N -0.322 119.876 120.200 -0.003 0.000 2.160 982 E HA -0.143 4.236 4.350 0.047 0.000 0.195 982 E C 2.049 178.742 176.600 0.156 0.000 0.991 982 E CA 0.783 57.224 56.400 0.068 0.000 0.810 982 E CB -0.275 29.479 29.700 0.091 0.000 0.742 982 E HN 0.400 nan 8.360 nan 0.000 0.466 983 I N 0.486 121.111 120.570 0.092 0.000 2.076 983 I HA -0.292 3.906 4.170 0.047 0.000 0.237 983 I C 2.430 178.635 176.117 0.147 0.000 1.059 983 I CA 1.189 62.549 61.300 0.101 0.000 1.317 983 I CB -1.496 36.527 38.000 0.038 0.000 1.037 983 I HN 0.208 nan 8.210 nan 0.000 0.398 984 L N 0.294 121.580 121.223 0.106 0.000 1.956 984 L HA -0.284 4.084 4.340 0.047 0.000 0.216 984 L C 2.587 179.611 176.870 0.256 0.000 1.073 984 L CA 1.741 56.688 54.840 0.179 0.000 0.762 984 L CB -0.911 41.111 42.059 -0.063 0.000 0.889 984 L HN 0.250 nan 8.230 nan 0.000 0.433 985 K N 0.031 120.506 120.400 0.124 0.000 1.980 985 K HA -0.302 4.046 4.320 0.047 0.000 0.231 985 K C 2.019 178.762 176.600 0.238 0.000 1.018 985 K CA 2.260 58.622 56.287 0.124 0.000 1.063 985 K CB -0.626 31.885 32.500 0.019 0.000 0.731 985 K HN 0.057 nan 8.250 nan 0.000 0.456 986 F N 0.965 120.952 119.950 0.063 0.000 2.071 986 F HA -0.382 4.168 4.527 0.039 0.000 0.291 986 F C 2.307 178.146 175.800 0.066 0.000 1.070 986 F CA 1.550 59.582 58.000 0.053 0.000 1.262 986 F CB -0.262 38.759 39.000 0.035 0.000 0.983 986 F HN 0.364 nan 8.300 nan 0.000 0.493 987 I N 0.190 120.948 120.570 0.313 0.000 2.479 987 I HA -0.387 3.812 4.170 0.047 0.000 0.258 987 I C 2.293 178.487 176.117 0.127 0.000 1.165 987 I CA 1.220 62.614 61.300 0.157 0.000 1.422 987 I CB -0.361 37.719 38.000 0.133 0.000 1.087 987 I HN 0.234 nan 8.210 nan 0.000 0.441 988 A N 0.472 123.401 122.820 0.183 0.000 2.204 988 A HA -0.295 4.054 4.320 0.047 0.000 0.220 988 A C 2.294 179.951 177.584 0.122 0.000 1.165 988 A CA 1.756 53.888 52.037 0.159 0.000 0.671 988 A CB -0.851 18.262 19.000 0.188 0.000 0.792 988 A HN 0.580 nan 8.150 nan 0.000 0.473 989 R N -0.355 120.218 120.500 0.122 0.000 2.189 989 R HA -0.104 4.264 4.340 0.047 0.000 0.223 989 R C 1.747 178.069 176.300 0.036 0.000 1.092 989 R CA 1.474 57.621 56.100 0.079 0.000 0.989 989 R CB -0.116 30.223 30.300 0.065 0.000 0.876 989 R HN 0.666 nan 8.270 nan 0.000 0.457 990 N N -0.966 117.754 118.700 0.034 0.000 2.210 990 N HA -0.102 4.666 4.740 0.047 0.000 0.203 990 N C 0.278 175.800 175.510 0.020 0.000 1.175 990 N CA 0.055 53.111 53.050 0.011 0.000 0.894 990 N CB 0.351 38.838 38.487 -0.001 0.000 1.041 990 N HN 0.162 nan 8.380 nan 0.000 0.506 991 Y N 2.090 122.300 120.300 -0.150 0.000 2.461 991 Y HA 0.376 4.957 4.550 0.052 0.000 0.277 991 Y C 0.293 176.105 175.900 -0.146 0.000 1.182 991 Y CA -0.032 57.931 58.100 -0.229 0.000 1.276 991 Y CB -0.354 37.847 38.460 -0.431 0.000 1.087 991 Y HN -0.004 nan 8.280 nan 0.000 0.519 992 L N 1.914 123.088 121.223 -0.082 0.000 3.826 992 L HA -0.297 4.071 4.340 0.047 0.000 0.566 992 L C -0.209 176.618 176.870 -0.071 0.000 1.217 992 L CA 1.066 55.850 54.840 -0.093 0.000 0.823 992 L CB -1.119 40.851 42.059 -0.149 0.000 1.381 992 L HN 0.410 nan 8.230 nan 0.000 0.825 993 E N 0.982 121.192 120.200 0.016 0.000 2.768 993 E HA 0.556 4.934 4.350 0.047 0.000 0.290 993 E C 0.169 176.815 176.600 0.076 0.000 1.100 993 E CA 0.258 56.693 56.400 0.059 0.000 0.768 993 E CB 1.115 30.900 29.700 0.141 0.000 1.501 993 E HN 0.515 nan 8.360 nan 0.000 0.384 994 G N 0.000 108.830 108.800 0.051 0.000 5.446 994 G HA2 0.000 3.988 3.960 0.047 0.000 0.244 994 G HA3 0.000 3.988 3.960 0.047 0.000 0.244 994 G CA 0.000 45.130 45.100 0.051 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925