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 2ihu_1_C DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGMTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PMSKYAVELQ RPHEITDLVD SAVNAAMTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TTVPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YMDGILNFPA LQTMFAPVDL VLTVGYDYAE DLRPSMWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GMRVHQVIDS MNTVMEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQM ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE Y 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.551 176.600 -0.082 0.000 0.988 11 K CA 0.000 56.249 56.287 -0.063 0.000 0.838 11 K CB 0.000 32.472 32.500 -0.046 0.000 1.064 12 P HA 0.005 nan 4.420 nan 0.000 0.266 12 P C -0.269 176.980 177.300 -0.085 0.000 1.195 12 P CA -0.052 62.927 63.100 -0.201 0.000 0.768 12 P CB 0.554 31.959 31.700 -0.492 0.000 0.838 13 T N -1.756 112.788 114.554 -0.017 0.000 2.870 13 T HA 0.592 4.942 4.350 0.000 0.000 0.277 13 T C 1.240 175.971 174.700 0.052 0.000 1.000 13 T CA -0.208 61.900 62.100 0.014 0.000 0.982 13 T CB 0.926 69.798 68.868 0.008 0.000 1.249 13 T HN 0.190 nan 8.240 nan 0.000 0.589 14 A N 0.176 123.023 122.820 0.044 0.000 1.978 14 A HA 0.184 4.504 4.320 0.000 0.000 0.220 14 A C 2.589 180.205 177.584 0.053 0.000 1.170 14 A CA 2.005 54.074 52.037 0.053 0.000 0.636 14 A CB -1.648 17.375 19.000 0.040 0.000 0.810 14 A HN 1.239 nan 8.150 nan 0.000 0.448 15 A N -0.723 122.113 122.820 0.026 0.000 1.892 15 A HA -0.253 4.067 4.320 0.000 0.000 0.218 15 A C 2.023 179.591 177.584 -0.026 0.000 1.188 15 A CA 2.179 54.195 52.037 -0.034 0.000 0.631 15 A CB -0.964 17.967 19.000 -0.116 0.000 0.822 15 A HN 0.822 nan 8.150 nan 0.000 0.447 16 H N -0.624 118.404 119.070 -0.069 0.000 2.353 16 H HA 0.072 4.628 4.556 0.000 0.000 0.300 16 H C 2.162 177.480 175.328 -0.017 0.000 1.090 16 H CA 1.764 57.782 56.048 -0.051 0.000 1.327 16 H CB -0.132 29.607 29.762 -0.039 0.000 1.383 16 H HN 0.418 nan 8.280 nan 0.000 0.508 17 A N 0.549 123.484 122.820 0.192 0.000 1.969 17 A HA -0.092 4.228 4.320 0.000 0.000 0.218 17 A C 2.306 179.935 177.584 0.074 0.000 1.169 17 A CA 1.371 53.495 52.037 0.145 0.000 0.635 17 A CB -0.727 18.347 19.000 0.122 0.000 0.810 17 A HN 0.506 nan 8.150 nan 0.000 0.445 18 L N -0.193 121.066 121.223 0.060 0.000 2.005 18 L HA -0.075 4.265 4.340 0.000 0.000 0.207 18 L C 2.240 179.145 176.870 0.058 0.000 1.072 18 L CA 1.783 56.666 54.840 0.072 0.000 0.744 18 L CB -0.608 41.513 42.059 0.104 0.000 0.895 18 L HN 0.370 nan 8.230 nan 0.000 0.433 19 L N -0.893 120.330 121.223 -0.000 0.000 2.046 19 L HA -0.188 4.152 4.340 0.000 0.000 0.208 19 L C 2.497 179.340 176.870 -0.044 0.000 1.077 19 L CA 1.360 56.186 54.840 -0.023 0.000 0.747 19 L CB -0.765 41.234 42.059 -0.100 0.000 0.896 19 L HN 0.260 nan 8.230 nan 0.000 0.432 20 S N -0.464 115.176 115.700 -0.100 0.000 2.359 20 S HA -0.216 4.254 4.470 0.000 0.000 0.224 20 S C 2.096 176.697 174.600 0.002 0.000 1.035 20 S CA 1.274 59.429 58.200 -0.076 0.000 1.018 20 S CB -0.268 62.897 63.200 -0.059 0.000 0.876 20 S HN 0.249 nan 8.310 nan 0.000 0.448 21 R N 1.434 121.961 120.500 0.044 0.000 2.092 21 R HA 0.143 4.483 4.340 0.000 0.000 0.231 21 R C 1.996 178.395 176.300 0.166 0.000 1.119 21 R CA 1.083 57.240 56.100 0.094 0.000 0.970 21 R CB -0.993 29.379 30.300 0.119 0.000 0.864 21 R HN 0.424 nan 8.270 nan 0.000 0.440 22 L N -0.331 120.972 121.223 0.132 0.000 2.017 22 L HA -0.134 4.206 4.340 0.000 0.000 0.208 22 L C 2.506 179.445 176.870 0.114 0.000 1.073 22 L CA 1.634 56.559 54.840 0.143 0.000 0.745 22 L CB -0.433 41.696 42.059 0.117 0.000 0.894 22 L HN 0.100 nan 8.230 nan 0.000 0.432 23 R N 0.615 121.149 120.500 0.056 0.000 2.091 23 R HA -0.187 4.153 4.340 0.000 0.000 0.238 23 R C 1.828 178.134 176.300 0.010 0.000 1.136 23 R CA 1.713 57.827 56.100 0.024 0.000 0.959 23 R CB -0.499 29.797 30.300 -0.008 0.000 0.856 23 R HN 0.306 nan 8.270 nan 0.000 0.437 24 D N -0.675 119.716 120.400 -0.014 0.000 2.182 24 D HA -0.163 4.477 4.640 0.000 0.000 0.201 24 D C 1.164 177.362 176.300 -0.171 0.000 0.986 24 D CA 1.189 55.127 54.000 -0.104 0.000 0.847 24 D CB -0.254 40.449 40.800 -0.162 0.000 0.942 24 D HN 0.453 nan 8.370 nan 0.000 0.467 25 H N -0.830 118.244 119.070 0.007 0.000 2.533 25 H HA 0.238 4.794 4.556 0.000 0.000 0.271 25 H C 1.405 176.738 175.328 0.009 0.000 1.000 25 H CA 0.831 56.884 56.048 0.007 0.000 1.149 25 H CB 0.508 30.274 29.762 0.007 0.000 1.375 25 H HN 0.222 nan 8.280 nan 0.000 0.582 26 G N 0.731 109.579 108.800 0.079 0.000 2.157 26 G HA2 -0.277 3.683 3.960 0.000 0.000 0.239 26 G HA3 -0.277 3.683 3.960 0.000 0.000 0.239 26 G C 0.282 175.213 174.900 0.052 0.000 0.982 26 G CA 0.255 45.386 45.100 0.052 0.000 0.650 26 G HN 0.216 nan 8.290 nan 0.000 0.527 27 V N 0.716 120.670 119.914 0.068 0.000 2.508 27 V HA 0.560 4.680 4.120 0.000 0.000 0.281 27 V C 1.502 177.612 176.094 0.025 0.000 1.041 27 V CA 1.192 63.524 62.300 0.054 0.000 1.016 27 V CB 1.379 33.247 31.823 0.075 0.000 0.984 27 V HN 0.670 nan 8.190 nan 0.000 0.478 28 G N 4.368 113.169 108.800 0.002 0.000 3.104 28 G HA2 0.199 4.159 3.960 0.000 0.000 0.237 28 G HA3 0.199 4.159 3.960 0.000 0.000 0.237 28 G C 0.370 175.222 174.900 -0.080 0.000 1.035 28 G CA -0.124 44.960 45.100 -0.026 0.000 0.844 28 G HN 0.477 nan 8.290 nan 0.000 0.531 29 K N 0.715 121.042 120.400 -0.123 0.000 2.427 29 K HA 0.601 4.921 4.320 0.000 0.000 0.252 29 K C -1.479 174.937 176.600 -0.306 0.000 0.931 29 K CA -0.605 55.494 56.287 -0.313 0.000 0.793 29 K CB 2.937 35.121 32.500 -0.526 0.000 1.211 29 K HN -0.113 nan 8.250 nan 0.000 0.426 30 V N 3.739 123.412 119.914 -0.402 0.000 2.350 30 V HA 0.410 4.531 4.120 0.000 0.000 0.285 30 V C -0.675 174.960 176.094 -0.766 0.000 1.014 30 V CA -0.851 61.251 62.300 -0.331 0.000 0.831 30 V CB 0.416 32.198 31.823 -0.067 0.000 1.000 30 V HN 0.508 nan 8.190 nan 0.000 0.433 31 F N 3.229 122.937 119.950 -0.403 0.000 2.410 31 F HA 0.817 5.344 4.527 0.000 0.000 0.348 31 F C 1.030 176.563 175.800 -0.445 0.000 1.106 31 F CA 0.360 58.069 58.000 -0.486 0.000 1.163 31 F CB 1.614 40.459 39.000 -0.258 0.000 1.129 31 F HN 0.701 nan 8.300 nan 0.000 0.516 32 G N 1.066 109.626 108.800 -0.401 0.000 2.325 32 G HA2 0.481 4.441 3.960 0.000 0.000 0.295 32 G HA3 0.481 4.441 3.960 0.000 0.000 0.295 32 G C -2.331 172.736 174.900 0.278 0.000 1.274 32 G CA -0.739 44.393 45.100 0.054 0.000 0.857 32 G HN 0.447 nan 8.290 nan 0.000 0.499 33 V N 0.163 120.324 119.914 0.413 0.000 2.577 33 V HA 0.606 4.726 4.120 0.000 0.000 0.303 33 V C -0.156 176.164 176.094 0.377 0.000 1.042 33 V CA -0.683 61.816 62.300 0.332 0.000 0.872 33 V CB 1.531 33.454 31.823 0.167 0.000 0.998 33 V HN 0.717 nan 8.190 nan 0.000 0.423 34 V N 4.006 124.035 119.914 0.192 0.000 2.481 34 V HA 0.784 4.904 4.120 0.000 0.000 0.286 34 V C 0.852 177.031 176.094 0.140 0.000 1.042 34 V CA 0.284 62.670 62.300 0.144 0.000 0.928 34 V CB 1.268 32.974 31.823 -0.195 0.000 0.986 34 V HN 0.969 nan 8.190 nan 0.000 0.462 35 G N 3.554 112.474 108.800 0.200 0.000 2.940 35 G HA2 0.301 4.261 3.960 0.000 0.000 0.164 35 G HA3 0.301 4.261 3.960 0.000 0.000 0.164 35 G C 0.815 175.785 174.900 0.117 0.000 1.326 35 G CA -0.205 44.975 45.100 0.134 0.000 1.020 35 G HN 0.756 nan 8.290 nan 0.000 0.586 36 R N 0.129 120.691 120.500 0.103 0.000 2.293 36 R HA -0.018 4.322 4.340 0.000 0.000 0.219 36 R C 1.631 177.986 176.300 0.091 0.000 1.091 36 R CA 1.784 57.936 56.100 0.086 0.000 1.004 36 R CB -0.231 30.119 30.300 0.083 0.000 0.865 36 R HN 0.532 nan 8.270 nan 0.000 0.469 37 E N 1.517 121.799 120.200 0.136 0.000 2.472 37 E HA -0.126 4.224 4.350 0.000 0.000 0.200 37 E C 1.515 178.174 176.600 0.098 0.000 1.046 37 E CA 1.052 57.545 56.400 0.154 0.000 0.871 37 E CB -0.043 29.829 29.700 0.287 0.000 0.806 37 E HN 0.485 nan 8.360 nan 0.000 0.533 38 A N 1.756 124.617 122.820 0.069 0.000 2.024 38 A HA -0.033 4.287 4.320 0.000 0.000 0.220 38 A C 2.459 180.030 177.584 -0.021 0.000 1.164 38 A CA 1.829 53.865 52.037 -0.001 0.000 0.643 38 A CB -0.628 18.370 19.000 -0.004 0.000 0.806 38 A HN 0.430 nan 8.150 nan 0.000 0.451 39 A N -1.190 121.633 122.820 0.005 0.000 2.121 39 A HA 0.072 4.392 4.320 0.000 0.000 0.218 39 A C 2.112 179.689 177.584 -0.012 0.000 1.154 39 A CA 1.792 53.829 52.037 -0.000 0.000 0.679 39 A CB -0.295 18.715 19.000 0.017 0.000 0.795 39 A HN 0.433 nan 8.150 nan 0.000 0.458 40 S N -1.898 113.792 115.700 -0.015 0.000 2.520 40 S HA 0.404 4.875 4.470 0.000 0.000 0.219 40 S C 0.158 174.700 174.600 -0.096 0.000 1.028 40 S CA -0.118 58.066 58.200 -0.027 0.000 0.921 40 S CB 0.252 63.461 63.200 0.016 0.000 0.844 40 S HN 0.486 nan 8.310 nan 0.000 0.495 41 I N 1.106 121.569 120.570 -0.177 0.000 2.586 41 I HA 0.333 4.503 4.170 0.000 0.000 0.288 41 I C -0.199 175.650 176.117 -0.447 0.000 1.147 41 I CA -0.510 60.538 61.300 -0.420 0.000 1.047 41 I CB 1.345 38.920 38.000 -0.708 0.000 1.244 41 I HN 0.026 nan 8.210 nan 0.000 0.429 42 L N 6.807 127.805 121.223 -0.374 0.000 2.202 42 L HA 0.215 4.555 4.340 0.000 0.000 0.205 42 L C 0.332 177.126 176.870 -0.126 0.000 1.083 42 L CA 0.858 55.575 54.840 -0.205 0.000 0.790 42 L CB 0.060 42.047 42.059 -0.118 0.000 0.942 42 L HN 0.847 nan 8.230 nan 0.000 0.452 43 F N -0.368 119.441 119.950 -0.234 0.000 2.536 43 F HA -0.212 4.315 4.527 0.000 0.000 0.299 43 F C 0.684 176.412 175.800 -0.120 0.000 0.654 43 F CA 0.627 58.501 58.000 -0.210 0.000 1.632 43 F CB -1.772 37.050 39.000 -0.297 0.000 2.021 43 F HN 0.348 nan 8.300 nan 0.000 0.311 44 D N -0.972 119.421 120.400 -0.012 0.000 2.479 44 D HA 0.176 4.817 4.640 0.000 0.000 0.218 44 D C 1.257 177.538 176.300 -0.032 0.000 1.177 44 D CA 0.286 54.281 54.000 -0.009 0.000 0.830 44 D CB -0.011 40.785 40.800 -0.007 0.000 1.014 44 D HN 0.276 nan 8.370 nan 0.000 0.503 45 E N -0.053 120.104 120.200 -0.071 0.000 2.153 45 E HA 0.017 4.367 4.350 0.000 0.000 0.194 45 E C 0.230 176.768 176.600 -0.102 0.000 0.988 45 E CA 0.816 57.185 56.400 -0.051 0.000 0.811 45 E CB 0.296 29.950 29.700 -0.077 0.000 0.746 45 E HN 0.142 nan 8.360 nan 0.000 0.466 46 V N 1.298 121.128 119.914 -0.140 0.000 2.444 46 V HA 0.138 4.259 4.120 0.000 0.000 0.294 46 V C -0.246 175.810 176.094 -0.064 0.000 1.022 46 V CA -0.983 61.225 62.300 -0.152 0.000 0.850 46 V CB 1.661 33.353 31.823 -0.220 0.000 0.992 46 V HN 0.059 nan 8.190 nan 0.000 0.426 47 E N 3.136 123.311 120.200 -0.040 0.000 2.376 47 E HA 0.390 4.740 4.350 0.000 0.000 0.266 47 E C 1.174 177.761 176.600 -0.021 0.000 1.009 47 E CA 1.055 57.443 56.400 -0.020 0.000 0.902 47 E CB 0.616 30.311 29.700 -0.009 0.000 0.972 47 E HN 1.063 nan 8.360 nan 0.000 0.439 48 G N 3.975 112.766 108.800 -0.016 0.000 2.176 48 G HA2 -0.255 3.705 3.960 0.000 0.000 0.232 48 G HA3 -0.255 3.705 3.960 0.000 0.000 0.232 48 G C 0.040 174.930 174.900 -0.017 0.000 0.986 48 G CA 0.083 45.174 45.100 -0.015 0.000 0.643 48 G HN 0.585 nan 8.290 nan 0.000 0.522 49 I N 1.829 122.390 120.570 -0.014 0.000 2.439 49 I HA 0.494 4.664 4.170 0.000 0.000 0.285 49 I C -1.413 174.705 176.117 0.002 0.000 1.021 49 I CA -0.936 60.359 61.300 -0.009 0.000 1.091 49 I CB 1.142 39.148 38.000 0.009 0.000 1.242 49 I HN -0.018 nan 8.210 nan 0.000 0.439 50 D N 7.226 127.603 120.400 -0.039 0.000 2.248 50 D HA 0.235 4.875 4.640 0.000 0.000 0.246 50 D C -0.901 175.341 176.300 -0.096 0.000 1.027 50 D CA -0.169 53.807 54.000 -0.039 0.000 0.853 50 D CB 2.373 43.128 40.800 -0.074 0.000 1.243 50 D HN 0.283 nan 8.370 nan 0.000 0.462 51 F N 1.488 121.310 119.950 -0.213 0.000 2.427 51 F HA 0.194 4.721 4.527 0.000 0.000 0.352 51 F C -0.126 175.487 175.800 -0.312 0.000 1.100 51 F CA -0.318 57.466 58.000 -0.361 0.000 1.191 51 F CB 0.811 39.506 39.000 -0.508 0.000 1.128 51 F HN -0.019 nan 8.300 nan 0.000 0.533 52 V N 8.124 127.531 119.914 -0.845 0.000 2.293 52 V HA 0.184 4.304 4.120 0.000 0.000 0.275 52 V C -0.414 175.396 176.094 -0.474 0.000 1.021 52 V CA -0.842 61.135 62.300 -0.539 0.000 0.815 52 V CB 0.873 32.299 31.823 -0.661 0.000 1.025 52 V HN 0.571 nan 8.190 nan 0.000 0.448 53 L N 6.649 127.818 121.223 -0.089 0.000 2.361 53 L HA 0.513 4.853 4.340 0.000 0.000 0.278 53 L C 0.805 177.706 176.870 0.052 0.000 1.113 53 L CA 0.889 55.791 54.840 0.104 0.000 0.849 53 L CB 1.038 43.223 42.059 0.209 0.000 1.155 53 L HN 0.856 nan 8.230 nan 0.000 0.452 54 T N 1.985 116.578 114.554 0.064 0.000 2.923 54 T HA 0.507 4.857 4.350 0.000 0.000 0.281 54 T C 1.012 175.762 174.700 0.084 0.000 0.995 54 T CA -0.797 61.342 62.100 0.065 0.000 0.985 54 T CB 1.215 70.117 68.868 0.057 0.000 1.114 54 T HN 0.536 nan 8.240 nan 0.000 0.548 55 R N -0.279 120.271 120.500 0.084 0.000 2.246 55 R HA 0.214 4.554 4.340 0.000 0.000 0.199 55 R C 0.560 176.951 176.300 0.152 0.000 0.984 55 R CA 0.478 56.635 56.100 0.095 0.000 1.015 55 R CB -0.679 29.664 30.300 0.071 0.000 0.930 55 R HN 0.786 nan 8.270 nan 0.000 0.475 56 H N -0.363 118.739 119.070 0.054 0.000 2.996 56 H HA 0.166 4.722 4.556 0.000 0.000 0.368 56 H C -0.205 175.178 175.328 0.093 0.000 1.185 56 H CA -0.269 55.826 56.048 0.078 0.000 1.160 56 H CB 2.034 31.849 29.762 0.088 0.000 1.820 56 H HN -0.223 nan 8.280 nan 0.000 0.547 57 E N 2.681 122.808 120.200 -0.121 0.000 2.204 57 E HA -0.099 4.251 4.350 0.000 0.000 0.194 57 E C 1.537 178.245 176.600 0.180 0.000 0.989 57 E CA 0.925 57.342 56.400 0.029 0.000 0.824 57 E CB -0.050 29.626 29.700 -0.039 0.000 0.756 57 E HN 0.460 nan 8.360 nan 0.000 0.477 58 F N 1.441 121.567 119.950 0.294 0.000 2.095 58 F HA -0.258 4.270 4.527 0.000 0.000 0.298 58 F C 1.999 177.845 175.800 0.076 0.000 1.104 58 F CA 1.795 59.919 58.000 0.207 0.000 1.232 58 F CB -0.737 38.403 39.000 0.232 0.000 0.987 58 F HN -0.083 nan 8.300 nan 0.000 0.475 59 T N 0.891 115.390 114.554 -0.092 0.000 2.720 59 T HA -0.201 4.149 4.350 0.000 0.000 0.268 59 T C 2.224 176.754 174.700 -0.282 0.000 1.037 59 T CA 1.560 63.495 62.100 -0.275 0.000 1.144 59 T CB -0.918 67.909 68.868 -0.069 0.000 0.864 59 T HN 0.416 nan 8.240 nan 0.000 0.444 60 A N 1.388 124.132 122.820 -0.126 0.000 1.877 60 A HA 0.118 4.438 4.320 0.000 0.000 0.216 60 A C 2.658 180.119 177.584 -0.205 0.000 1.186 60 A CA 1.875 53.850 52.037 -0.102 0.000 0.620 60 A CB -1.391 17.631 19.000 0.036 0.000 0.822 60 A HN 0.511 nan 8.150 nan 0.000 0.443 61 G N -0.659 108.047 108.800 -0.155 0.000 2.418 61 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 61 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 61 G C 1.506 176.246 174.900 -0.267 0.000 1.158 61 G CA 1.284 46.296 45.100 -0.147 0.000 0.771 61 G HN 0.325 nan 8.290 nan 0.000 0.545 62 V N 1.509 121.169 119.914 -0.423 0.000 2.358 62 V HA -0.084 4.036 4.120 0.000 0.000 0.246 62 V C 3.317 179.104 176.094 -0.511 0.000 1.047 62 V CA 1.874 63.890 62.300 -0.473 0.000 1.035 62 V CB -0.792 30.598 31.823 -0.722 0.000 0.658 62 V HN 0.472 nan 8.190 nan 0.000 0.452 63 A N 0.176 122.618 122.820 -0.630 0.000 1.908 63 A HA -0.162 4.158 4.320 0.000 0.000 0.218 63 A C 2.430 179.473 177.584 -0.901 0.000 1.181 63 A CA 2.230 53.770 52.037 -0.827 0.000 0.627 63 A CB -0.792 17.528 19.000 -1.133 0.000 0.818 63 A HN 0.571 nan 8.150 nan 0.000 0.445 64 A N 0.063 122.393 122.820 -0.816 0.000 1.902 64 A HA -0.187 4.133 4.320 0.000 0.000 0.217 64 A C 1.801 179.247 177.584 -0.229 0.000 1.181 64 A CA 2.124 53.926 52.037 -0.393 0.000 0.623 64 A CB -0.813 18.114 19.000 -0.122 0.000 0.818 64 A HN 0.653 nan 8.150 nan 0.000 0.443 65 D N -0.597 119.667 120.400 -0.226 0.000 2.104 65 D HA -0.150 4.490 4.640 0.000 0.000 0.194 65 D C 1.661 177.854 176.300 -0.179 0.000 0.994 65 D CA 1.915 55.821 54.000 -0.156 0.000 0.830 65 D CB -0.064 40.667 40.800 -0.116 0.000 0.959 65 D HN 0.151 nan 8.370 nan 0.000 0.452 66 V N 0.080 119.849 119.914 -0.241 0.000 2.379 66 V HA -0.111 4.009 4.120 0.000 0.000 0.245 66 V C 2.386 178.351 176.094 -0.215 0.000 1.044 66 V CA 1.105 63.263 62.300 -0.236 0.000 1.036 66 V CB -0.484 31.174 31.823 -0.275 0.000 0.664 66 V HN 0.298 nan 8.190 nan 0.000 0.453 67 L N 1.074 122.178 121.223 -0.198 0.000 2.042 67 L HA -0.139 4.201 4.340 0.000 0.000 0.210 67 L C 2.469 179.285 176.870 -0.089 0.000 1.076 67 L CA 2.429 57.206 54.840 -0.105 0.000 0.749 67 L CB -0.932 41.115 42.059 -0.020 0.000 0.893 67 L HN 0.247 nan 8.230 nan 0.000 0.432 68 A N -0.691 122.070 122.820 -0.097 0.000 1.933 68 A HA -0.249 4.071 4.320 0.000 0.000 0.218 68 A C 2.520 180.028 177.584 -0.127 0.000 1.175 68 A CA 1.769 53.758 52.037 -0.079 0.000 0.628 68 A CB -0.620 18.342 19.000 -0.064 0.000 0.814 68 A HN 0.502 nan 8.150 nan 0.000 0.444 69 R N -0.314 120.054 120.500 -0.220 0.000 2.073 69 R HA -0.081 4.259 4.340 0.000 0.000 0.234 69 R C 1.909 177.909 176.300 -0.501 0.000 1.134 69 R CA 1.937 57.790 56.100 -0.411 0.000 0.952 69 R CB -0.369 29.593 30.300 -0.563 0.000 0.850 69 R HN 0.545 nan 8.270 nan 0.000 0.433 70 I N 0.178 120.535 120.570 -0.355 0.000 2.286 70 I HA -0.205 3.965 4.170 0.000 0.000 0.245 70 I C 2.422 178.535 176.117 -0.007 0.000 1.104 70 I CA 1.616 62.821 61.300 -0.158 0.000 1.397 70 I CB -0.369 37.587 38.000 -0.074 0.000 1.072 70 I HN 0.398 nan 8.210 nan 0.000 0.417 71 T N -1.704 112.835 114.554 -0.025 0.000 2.904 71 T HA 0.059 4.409 4.350 0.000 0.000 0.267 71 T C 1.744 176.460 174.700 0.028 0.000 1.059 71 T CA 0.789 62.898 62.100 0.015 0.000 1.137 71 T CB -0.300 68.576 68.868 0.013 0.000 0.879 71 T HN 0.530 nan 8.240 nan 0.000 0.467 72 G N 1.602 110.406 108.800 0.007 0.000 2.143 72 G HA2 -0.238 3.722 3.960 0.000 0.000 0.248 72 G HA3 -0.238 3.722 3.960 0.000 0.000 0.248 72 G C 0.069 174.981 174.900 0.019 0.000 0.991 72 G CA 0.094 45.209 45.100 0.024 0.000 0.689 72 G HN 0.747 nan 8.290 nan 0.000 0.522 73 R N -0.075 120.433 120.500 0.013 0.000 2.740 73 R HA 0.508 4.848 4.340 0.000 0.000 0.282 73 R C -2.815 173.494 176.300 0.015 0.000 0.969 73 R CA -2.199 53.915 56.100 0.023 0.000 0.918 73 R CB 1.736 32.056 30.300 0.033 0.000 1.175 73 R HN 0.000 nan 8.270 nan 0.000 0.464 74 P HA -0.018 nan 4.420 nan 0.000 0.266 74 P C -0.798 176.520 177.300 0.030 0.000 1.195 74 P CA 0.155 63.259 63.100 0.007 0.000 0.768 74 P CB 0.702 32.391 31.700 -0.018 0.000 0.838 75 Q N 0.874 120.695 119.800 0.035 0.000 2.552 75 Q HA 0.839 5.179 4.340 0.000 0.000 0.289 75 Q C -0.957 175.099 176.000 0.093 0.000 1.097 75 Q CA -0.941 54.907 55.803 0.076 0.000 0.812 75 Q CB 2.562 31.350 28.738 0.084 0.000 1.460 75 Q HN 0.431 nan 8.270 nan 0.000 0.452 76 A N 0.211 123.122 122.820 0.151 0.000 2.449 76 A HA 0.808 5.128 4.320 0.000 0.000 0.302 76 A C -0.581 177.136 177.584 0.223 0.000 1.048 76 A CA -0.524 51.612 52.037 0.165 0.000 0.708 76 A CB 0.838 19.935 19.000 0.163 0.000 1.274 76 A HN 0.846 nan 8.150 nan 0.000 0.410 77 C N -0.365 119.061 119.300 0.210 0.000 3.080 77 C HA 0.972 5.432 4.460 0.000 0.000 0.307 77 C C -1.068 174.107 174.990 0.308 0.000 1.311 77 C CA -0.923 58.230 59.018 0.224 0.000 1.533 77 C CB 1.401 29.222 27.740 0.135 0.000 1.970 77 C HN 1.084 nan 8.230 nan 0.000 0.467 78 W N 1.238 122.601 121.300 0.105 0.000 3.129 78 W HA 0.656 5.316 4.660 0.000 0.000 0.333 78 W C -1.060 175.561 176.519 0.170 0.000 1.141 78 W CA -0.070 57.385 57.345 0.182 0.000 1.224 78 W CB 2.230 31.861 29.460 0.285 0.000 1.393 78 W HN 1.305 nan 8.180 nan 0.000 0.499 79 A N 2.627 125.347 122.820 -0.167 0.000 2.566 79 A HA 0.620 4.940 4.320 0.000 0.000 0.292 79 A C -0.676 176.849 177.584 -0.099 0.000 1.112 79 A CA -0.426 51.620 52.037 0.015 0.000 0.707 79 A CB 1.852 20.858 19.000 0.011 0.000 1.302 79 A HN 0.463 nan 8.150 nan 0.000 0.409 80 T N 0.085 114.689 114.554 0.082 0.000 2.729 80 T HA 0.504 4.854 4.350 0.000 0.000 0.298 80 T C 0.653 175.356 174.700 0.006 0.000 1.013 80 T CA 0.001 62.151 62.100 0.085 0.000 0.957 80 T CB -0.140 68.802 68.868 0.124 0.000 1.130 80 T HN 1.032 nan 8.240 nan 0.000 0.526 81 L N -0.129 121.100 121.223 0.009 0.000 2.476 81 L HA 0.614 4.954 4.340 0.000 0.000 0.255 81 L C 1.338 178.190 176.870 -0.030 0.000 1.218 81 L CA -0.230 54.601 54.840 -0.015 0.000 0.819 81 L CB -0.913 41.134 42.059 -0.020 0.000 1.119 81 L HN 0.915 nan 8.230 nan 0.000 0.485 82 G N 1.255 110.033 108.800 -0.037 0.000 2.602 82 G HA2 -0.317 3.643 3.960 0.000 0.000 0.310 82 G HA3 -0.317 3.643 3.960 0.000 0.000 0.310 82 G C -1.126 173.749 174.900 -0.042 0.000 1.183 82 G CA 0.355 45.425 45.100 -0.050 0.000 0.979 82 G HN 0.771 nan 8.290 nan 0.000 0.545 83 P HA 0.004 nan 4.420 nan 0.000 0.223 83 P C 1.902 179.180 177.300 -0.038 0.000 1.151 83 P CA 2.340 65.420 63.100 -0.034 0.000 0.787 83 P CB -0.639 31.044 31.700 -0.029 0.000 0.788 84 G N 0.703 109.485 108.800 -0.030 0.000 2.421 84 G HA2 -0.258 3.702 3.960 0.000 0.000 0.216 84 G HA3 -0.258 3.702 3.960 0.000 0.000 0.216 84 G C 1.541 176.424 174.900 -0.027 0.000 1.171 84 G CA 0.920 46.006 45.100 -0.024 0.000 0.775 84 G HN 0.161 nan 8.290 nan 0.000 0.543 85 M N 2.112 121.696 119.600 -0.028 0.000 2.117 85 M HA -0.099 4.381 4.480 0.000 0.000 0.262 85 M C 2.693 178.949 176.300 -0.074 0.000 1.065 85 M CA 2.472 57.746 55.300 -0.043 0.000 1.114 85 M CB -1.211 31.374 32.600 -0.025 0.000 1.361 85 M HN 0.381 nan 8.290 nan 0.000 0.408 86 T N -0.892 113.627 114.554 -0.058 0.000 2.821 86 T HA -0.097 4.253 4.350 0.000 0.000 0.267 86 T C 1.598 176.292 174.700 -0.011 0.000 1.046 86 T CA 1.579 63.651 62.100 -0.048 0.000 1.139 86 T CB -0.662 68.184 68.868 -0.036 0.000 0.871 86 T HN 0.322 nan 8.240 nan 0.000 0.454 87 N N 1.451 120.148 118.700 -0.005 0.000 2.084 87 N HA 0.028 4.769 4.740 0.000 0.000 0.190 87 N C 1.703 177.269 175.510 0.093 0.000 1.030 87 N CA 0.817 53.888 53.050 0.036 0.000 0.849 87 N CB -0.779 37.619 38.487 -0.149 0.000 1.012 87 N HN 0.280 nan 8.380 nan 0.000 0.423 88 L N 1.199 122.444 121.223 0.036 0.000 2.131 88 L HA -0.121 4.219 4.340 0.000 0.000 0.210 88 L C 2.205 179.107 176.870 0.053 0.000 1.092 88 L CA 1.325 56.199 54.840 0.057 0.000 0.759 88 L CB -0.831 41.244 42.059 0.026 0.000 0.903 88 L HN 0.253 nan 8.230 nan 0.000 0.435 89 S N -2.624 113.076 115.700 0.000 0.000 2.419 89 S HA -0.205 4.265 4.470 0.000 0.000 0.235 89 S C 1.825 176.447 174.600 0.037 0.000 1.019 89 S CA 1.621 59.800 58.200 -0.035 0.000 0.982 89 S CB -0.994 62.151 63.200 -0.092 0.000 0.789 89 S HN 0.537 nan 8.310 nan 0.000 0.490 90 T N 1.465 116.090 114.554 0.117 0.000 2.821 90 T HA 0.087 4.437 4.350 0.000 0.000 0.267 90 T C 1.979 176.868 174.700 0.314 0.000 1.046 90 T CA 1.249 63.463 62.100 0.189 0.000 1.139 90 T CB -0.976 67.983 68.868 0.151 0.000 0.871 90 T HN 0.642 nan 8.240 nan 0.000 0.454 91 G N 1.309 110.294 108.800 0.308 0.000 2.408 91 G HA2 -0.086 3.874 3.960 0.000 0.000 0.217 91 G HA3 -0.086 3.874 3.960 0.000 0.000 0.217 91 G C 1.516 176.455 174.900 0.065 0.000 1.150 91 G CA 0.298 45.479 45.100 0.134 0.000 0.776 91 G HN 0.477 nan 8.290 nan 0.000 0.542 92 I N 1.478 122.076 120.570 0.048 0.000 2.163 92 I HA -0.220 3.951 4.170 0.000 0.000 0.243 92 I C 3.293 179.421 176.117 0.018 0.000 1.085 92 I CA 1.074 62.383 61.300 0.015 0.000 1.347 92 I CB -0.228 37.751 38.000 -0.034 0.000 1.044 92 I HN 0.242 nan 8.210 nan 0.000 0.408 93 A N 0.233 123.071 122.820 0.030 0.000 1.933 93 A HA -0.208 4.112 4.320 0.000 0.000 0.218 93 A C 2.374 179.981 177.584 0.039 0.000 1.175 93 A CA 2.421 54.473 52.037 0.024 0.000 0.628 93 A CB -1.067 17.947 19.000 0.024 0.000 0.814 93 A HN 0.397 nan 8.150 nan 0.000 0.444 94 T N -0.565 114.040 114.554 0.084 0.000 2.708 94 T HA -0.151 4.200 4.350 0.000 0.000 0.266 94 T C 2.292 177.016 174.700 0.040 0.000 1.037 94 T CA 1.836 63.990 62.100 0.090 0.000 1.146 94 T CB -0.335 68.635 68.868 0.169 0.000 0.865 94 T HN 0.583 nan 8.240 nan 0.000 0.435 95 S N 0.158 115.872 115.700 0.024 0.000 2.383 95 S HA -0.070 4.400 4.470 0.000 0.000 0.227 95 S C 2.153 176.753 174.600 -0.000 0.000 1.026 95 S CA 1.093 59.294 58.200 0.003 0.000 0.981 95 S CB -0.492 62.707 63.200 -0.001 0.000 0.818 95 S HN 0.274 nan 8.310 nan 0.000 0.472 96 V N 0.938 120.853 119.914 0.003 0.000 2.453 96 V HA 0.069 4.189 4.120 0.000 0.000 0.247 96 V C 2.168 178.255 176.094 -0.011 0.000 1.048 96 V CA 1.631 63.931 62.300 -0.001 0.000 1.049 96 V CB -0.276 31.546 31.823 -0.001 0.000 0.672 96 V HN 0.550 nan 8.190 nan 0.000 0.457 97 L N -0.524 120.689 121.223 -0.018 0.000 2.127 97 L HA -0.010 4.330 4.340 0.000 0.000 0.203 97 L C 2.055 178.896 176.870 -0.048 0.000 1.080 97 L CA 1.402 56.219 54.840 -0.037 0.000 0.768 97 L CB -0.378 41.654 42.059 -0.046 0.000 0.924 97 L HN 0.298 nan 8.230 nan 0.000 0.444 98 D N -0.161 120.217 120.400 -0.036 0.000 2.347 98 D HA -0.002 4.638 4.640 0.000 0.000 0.213 98 D C -0.202 176.080 176.300 -0.029 0.000 0.985 98 D CA 0.217 54.193 54.000 -0.040 0.000 0.879 98 D CB 0.241 41.026 40.800 -0.025 0.000 0.919 98 D HN -0.029 nan 8.370 nan 0.000 0.526 99 R N 0.198 120.683 120.500 -0.024 0.000 2.168 99 R HA -0.090 4.250 4.340 0.000 0.000 0.364 99 R C -0.714 175.570 176.300 -0.027 0.000 1.103 99 R CA 0.131 56.220 56.100 -0.019 0.000 0.832 99 R CB -3.075 27.217 30.300 -0.014 0.000 2.561 99 R HN 0.316 nan 8.270 nan 0.000 0.484 100 S N 0.336 116.020 115.700 -0.028 0.000 2.533 100 S HA 0.743 5.213 4.470 0.000 0.000 0.271 100 S C -2.927 171.657 174.600 -0.027 0.000 1.143 100 S CA -1.584 56.591 58.200 -0.042 0.000 0.891 100 S CB 3.625 66.785 63.200 -0.066 0.000 1.105 100 S HN 0.169 nan 8.310 nan 0.000 0.468 101 P HA 0.343 nan 4.420 nan 0.000 0.268 101 P C -0.856 176.436 177.300 -0.014 0.000 1.541 101 P CA -0.233 62.856 63.100 -0.019 0.000 1.093 101 P CB 0.441 32.128 31.700 -0.021 0.000 1.551 102 V N 5.607 125.520 119.914 -0.001 0.000 2.513 102 V HA 0.337 4.457 4.120 0.000 0.000 0.299 102 V C 0.421 176.538 176.094 0.037 0.000 1.035 102 V CA -0.763 61.545 62.300 0.014 0.000 0.889 102 V CB 2.206 34.035 31.823 0.009 0.000 0.988 102 V HN 0.306 nan 8.190 nan 0.000 0.440 103 I N 4.299 124.898 120.570 0.049 0.000 2.306 103 I HA 0.517 4.687 4.170 0.000 0.000 0.288 103 I C 0.531 176.712 176.117 0.108 0.000 1.036 103 I CA -0.280 61.059 61.300 0.066 0.000 1.221 103 I CB 0.945 38.969 38.000 0.040 0.000 1.385 103 I HN 0.663 nan 8.210 nan 0.000 0.472 104 A N 8.299 131.203 122.820 0.140 0.000 2.274 104 A HA 0.819 5.139 4.320 0.000 0.000 0.309 104 A C -0.441 177.229 177.584 0.143 0.000 1.226 104 A CA -0.431 51.717 52.037 0.185 0.000 0.853 104 A CB 0.694 19.844 19.000 0.250 0.000 1.146 104 A HN 0.691 nan 8.150 nan 0.000 0.518 105 L N 1.979 123.216 121.223 0.023 0.000 2.362 105 L HA 0.799 5.139 4.340 0.000 0.000 0.275 105 L C 0.133 176.702 176.870 -0.502 0.000 0.998 105 L CA -0.402 54.275 54.840 -0.272 0.000 0.820 105 L CB 2.137 44.088 42.059 -0.180 0.000 1.270 105 L HN 0.793 nan 8.230 nan 0.000 0.415 106 A N 1.976 124.481 122.820 -0.525 0.000 2.486 106 A HA 0.904 5.224 4.320 0.000 0.000 0.300 106 A C -0.462 176.878 177.584 -0.408 0.000 1.048 106 A CA -0.411 51.364 52.037 -0.436 0.000 0.696 106 A CB 1.643 20.678 19.000 0.059 0.000 1.278 106 A HN 0.769 nan 8.150 nan 0.000 0.405 107 A N 0.601 123.235 122.820 -0.311 0.000 2.327 107 A HA 0.625 4.945 4.320 0.000 0.000 0.255 107 A C 0.123 177.669 177.584 -0.064 0.000 1.099 107 A CA 0.201 52.171 52.037 -0.112 0.000 0.801 107 A CB 0.510 19.539 19.000 0.049 0.000 1.062 107 A HN 1.194 nan 8.150 nan 0.000 0.496 108 Q N -0.417 119.358 119.800 -0.042 0.000 2.462 108 Q HA 0.506 4.846 4.340 0.000 0.000 0.285 108 Q C -0.523 175.455 176.000 -0.038 0.000 1.035 108 Q CA -0.313 55.466 55.803 -0.040 0.000 0.799 108 Q CB 1.700 30.404 28.738 -0.057 0.000 1.452 108 Q HN 0.758 nan 8.270 nan 0.000 0.404 109 S N 1.819 117.491 115.700 -0.047 0.000 2.550 109 S HA 0.001 4.471 4.470 0.000 0.000 0.285 109 S C -0.543 173.992 174.600 -0.109 0.000 1.326 109 S CA 0.067 58.229 58.200 -0.062 0.000 1.037 109 S CB 0.021 63.180 63.200 -0.068 0.000 0.838 109 S HN 0.550 nan 8.310 nan 0.000 0.519 110 E N 1.806 121.919 120.200 -0.144 0.000 2.608 110 E HA -0.029 4.321 4.350 0.000 0.000 0.259 110 E C 1.398 177.800 176.600 -0.331 0.000 0.951 110 E CA 0.568 56.827 56.400 -0.234 0.000 0.945 110 E CB 0.294 29.780 29.700 -0.357 0.000 0.916 110 E HN 0.641 nan 8.360 nan 0.000 0.477 111 S N 3.590 119.170 115.700 -0.199 0.000 2.380 111 S HA -0.326 4.144 4.470 0.000 0.000 0.229 111 S C 1.645 176.132 174.600 -0.188 0.000 1.043 111 S CA 1.859 59.972 58.200 -0.146 0.000 1.038 111 S CB -0.637 62.538 63.200 -0.043 0.000 0.872 111 S HN 0.788 nan 8.310 nan 0.000 0.456 112 H N -0.500 118.523 119.070 -0.078 0.000 2.555 112 H HA 0.240 4.796 4.556 0.000 0.000 0.269 112 H C 0.515 175.770 175.328 -0.121 0.000 0.988 112 H CA 1.087 57.087 56.048 -0.080 0.000 1.178 112 H CB -0.301 29.453 29.762 -0.013 0.000 1.373 112 H HN 0.481 nan 8.280 nan 0.000 0.588 113 D N 0.690 120.826 120.400 -0.440 0.000 2.513 113 D HA 0.196 4.836 4.640 0.000 0.000 0.222 113 D C -0.048 176.037 176.300 -0.357 0.000 1.210 113 D CA -0.331 53.520 54.000 -0.249 0.000 0.825 113 D CB -0.026 40.663 40.800 -0.186 0.000 1.037 113 D HN 0.271 nan 8.370 nan 0.000 0.506 114 I N 1.614 121.868 120.570 -0.527 0.000 2.389 114 I HA 0.104 4.274 4.170 0.000 0.000 0.295 114 I C -0.538 175.182 176.117 -0.662 0.000 1.117 114 I CA 0.154 61.207 61.300 -0.413 0.000 1.317 114 I CB -0.097 37.736 38.000 -0.279 0.000 1.431 114 I HN -0.108 nan 8.210 nan 0.000 0.521 115 F N 7.417 127.359 119.950 -0.013 0.000 2.552 115 F HA 0.394 4.921 4.527 0.000 0.000 0.369 115 F C -2.256 173.541 175.800 -0.005 0.000 1.112 115 F CA -2.771 55.227 58.000 -0.004 0.000 1.129 115 F CB 0.695 39.698 39.000 0.005 0.000 1.360 115 F HN 0.243 nan 8.300 nan 0.000 0.473 116 P HA 0.071 nan 4.420 nan 0.000 0.265 116 P C 0.070 177.413 177.300 0.072 0.000 1.193 116 P CA 0.587 63.722 63.100 0.059 0.000 0.765 116 P CB 0.419 32.135 31.700 0.027 0.000 0.823 117 N N 0.939 119.669 118.700 0.049 0.000 2.828 117 N HA -0.170 4.571 4.740 0.000 0.000 0.248 117 N C 0.165 175.707 175.510 0.052 0.000 1.044 117 N CA 1.269 54.343 53.050 0.040 0.000 0.851 117 N CB -1.499 37.005 38.487 0.028 0.000 1.136 117 N HN 0.532 nan 8.380 nan 0.000 0.572 118 D N -0.914 119.535 120.400 0.083 0.000 2.871 118 D HA 0.066 4.707 4.640 0.000 0.000 0.291 118 D C 0.100 176.461 176.300 0.101 0.000 1.150 118 D CA 0.578 54.623 54.000 0.075 0.000 0.999 118 D CB 0.064 40.898 40.800 0.056 0.000 1.452 118 D HN 0.018 nan 8.370 nan 0.000 0.465 119 T N 1.334 115.987 114.554 0.165 0.000 2.888 119 T HA 0.001 4.351 4.350 0.000 0.000 0.301 119 T C 0.180 174.959 174.700 0.132 0.000 1.001 119 T CA 0.070 62.273 62.100 0.172 0.000 1.147 119 T CB 0.352 69.343 68.868 0.205 0.000 0.931 119 T HN 0.104 nan 8.240 nan 0.000 0.541 120 H N 3.505 122.605 119.070 0.051 0.000 3.223 120 H HA -0.096 4.460 4.556 0.000 0.000 0.287 120 H C 1.142 176.489 175.328 0.031 0.000 0.910 120 H CA 1.268 57.337 56.048 0.036 0.000 1.406 120 H CB -0.134 29.647 29.762 0.032 0.000 1.377 120 H HN 0.802 nan 8.280 nan 0.000 0.556 121 Q N 1.204 120.768 119.800 -0.394 0.000 2.406 121 Q HA -0.280 4.060 4.340 0.000 0.000 0.236 121 Q C -0.293 175.630 176.000 -0.128 0.000 0.799 121 Q CA 1.119 56.731 55.803 -0.318 0.000 1.286 121 Q CB -1.812 26.664 28.738 -0.436 0.000 1.615 121 Q HN 0.632 nan 8.270 nan 0.000 0.621 122 C N 1.552 120.816 119.300 -0.060 0.000 2.246 122 C HA 0.631 5.091 4.460 0.000 0.000 0.329 122 C C 0.270 175.252 174.990 -0.012 0.000 1.221 122 C CA -0.463 58.541 59.018 -0.022 0.000 1.697 122 C CB -0.523 27.225 27.740 0.013 0.000 2.312 122 C HN 0.311 nan 8.230 nan 0.000 0.509 123 L N 4.491 125.703 121.223 -0.019 0.000 2.319 123 L HA 0.442 4.782 4.340 0.000 0.000 0.267 123 L C 0.043 176.906 176.870 -0.011 0.000 1.011 123 L CA -0.518 54.313 54.840 -0.015 0.000 0.818 123 L CB 1.259 43.303 42.059 -0.025 0.000 1.316 123 L HN 0.476 nan 8.230 nan 0.000 0.432 124 D N 0.403 120.797 120.400 -0.010 0.000 2.545 124 D HA 0.070 4.711 4.640 0.000 0.000 0.227 124 D C 0.871 177.168 176.300 -0.006 0.000 1.150 124 D CA 0.181 54.176 54.000 -0.008 0.000 1.046 124 D CB 0.672 41.467 40.800 -0.009 0.000 1.098 124 D HN 0.457 nan 8.370 nan 0.000 0.502 125 S N 1.066 116.780 115.700 0.023 0.000 2.370 125 S HA -0.143 4.327 4.470 0.000 0.000 0.226 125 S C 2.196 176.826 174.600 0.051 0.000 1.033 125 S CA 0.711 58.936 58.200 0.042 0.000 1.011 125 S CB 0.001 63.325 63.200 0.207 0.000 0.852 125 S HN 0.434 nan 8.310 nan 0.000 0.457 126 V N 2.221 122.216 119.914 0.136 0.000 2.287 126 V HA -0.228 3.892 4.120 0.000 0.000 0.248 126 V C 2.719 178.815 176.094 0.004 0.000 1.053 126 V CA 1.765 64.132 62.300 0.111 0.000 1.027 126 V CB -1.328 30.529 31.823 0.056 0.000 0.646 126 V HN 0.562 nan 8.190 nan 0.000 0.447 127 A N -0.186 122.626 122.820 -0.014 0.000 1.902 127 A HA -0.160 4.160 4.320 0.000 0.000 0.217 127 A C 2.174 179.726 177.584 -0.053 0.000 1.181 127 A CA 1.920 53.939 52.037 -0.031 0.000 0.623 127 A CB -0.546 18.440 19.000 -0.024 0.000 0.818 127 A HN 0.526 nan 8.150 nan 0.000 0.443 128 I N -0.712 119.814 120.570 -0.073 0.000 2.315 128 I HA -0.165 4.005 4.170 0.000 0.000 0.248 128 I C 2.048 178.077 176.117 -0.147 0.000 1.117 128 I CA 0.990 62.229 61.300 -0.102 0.000 1.404 128 I CB -0.049 37.885 38.000 -0.110 0.000 1.071 128 I HN 0.152 nan 8.210 nan 0.000 0.419 129 V N 0.332 120.118 119.914 -0.213 0.000 2.992 129 V HA 0.044 4.164 4.120 0.000 0.000 0.250 129 V C 2.579 178.588 176.094 -0.141 0.000 1.090 129 V CA 1.093 63.220 62.300 -0.287 0.000 1.101 129 V CB -0.373 31.020 31.823 -0.717 0.000 0.743 129 V HN 0.390 nan 8.190 nan 0.000 0.468 130 A N 1.268 124.040 122.820 -0.079 0.000 1.927 130 A HA -0.195 4.125 4.320 0.000 0.000 0.220 130 A C 0.477 178.041 177.584 -0.034 0.000 1.185 130 A CA 2.443 54.457 52.037 -0.038 0.000 0.639 130 A CB -1.944 17.035 19.000 -0.034 0.000 0.820 130 A HN 0.553 nan 8.150 nan 0.000 0.451 131 P HA -0.066 nan 4.420 nan 0.000 0.226 131 P C 0.998 178.281 177.300 -0.029 0.000 1.153 131 P CA 1.360 64.440 63.100 -0.032 0.000 0.777 131 P CB -0.110 31.568 31.700 -0.037 0.000 0.794 132 M N -3.065 116.511 119.600 -0.040 0.000 2.692 132 M HA 0.403 4.883 4.480 0.000 0.000 0.372 132 M C -0.352 175.936 176.300 -0.019 0.000 1.192 132 M CA -0.436 54.844 55.300 -0.033 0.000 0.928 132 M CB 0.612 33.183 32.600 -0.048 0.000 1.366 132 M HN -0.265 nan 8.290 nan 0.000 0.517 133 S N -1.344 114.356 115.700 -0.001 0.000 2.638 133 S HA 0.586 5.056 4.470 0.000 0.000 0.274 133 S C 0.213 174.848 174.600 0.057 0.000 1.157 133 S CA -0.964 57.256 58.200 0.034 0.000 0.826 133 S CB 1.614 64.847 63.200 0.056 0.000 1.139 133 S HN 0.185 nan 8.310 nan 0.000 0.474 134 K N -0.383 120.072 120.400 0.090 0.000 2.365 134 K HA 0.230 4.550 4.320 0.000 0.000 0.197 134 K C -0.546 176.169 176.600 0.192 0.000 1.042 134 K CA 0.865 57.216 56.287 0.107 0.000 0.987 134 K CB -0.370 32.182 32.500 0.086 0.000 0.779 134 K HN 0.718 nan 8.250 nan 0.000 0.484 135 Y N -0.926 119.393 120.300 0.032 0.000 2.457 135 Y HA 0.401 4.951 4.550 0.000 0.000 0.322 135 Y C -2.154 173.792 175.900 0.076 0.000 1.218 135 Y CA -1.088 57.033 58.100 0.036 0.000 1.116 135 Y CB 1.229 39.699 38.460 0.018 0.000 1.335 135 Y HN -0.055 nan 8.280 nan 0.000 0.452 136 A N 4.592 127.184 122.820 -0.380 0.000 2.491 136 A HA 0.779 5.099 4.320 0.000 0.000 0.293 136 A C -2.252 175.112 177.584 -0.366 0.000 1.047 136 A CA -0.275 51.671 52.037 -0.151 0.000 0.735 136 A CB 1.440 20.489 19.000 0.082 0.000 1.281 136 A HN 1.374 nan 8.150 nan 0.000 0.398 137 V N 1.333 121.069 119.914 -0.297 0.000 3.178 137 V HA 0.684 4.804 4.120 0.000 0.000 0.302 137 V C -1.246 174.721 176.094 -0.212 0.000 1.262 137 V CA -0.458 61.673 62.300 -0.282 0.000 1.030 137 V CB 2.081 33.694 31.823 -0.350 0.000 1.074 137 V HN 1.037 nan 8.190 nan 0.000 0.438 138 E N 3.440 123.548 120.200 -0.153 0.000 2.158 138 E HA 0.446 4.796 4.350 0.000 0.000 0.271 138 E C -1.133 175.398 176.600 -0.114 0.000 0.911 138 E CA -0.880 55.435 56.400 -0.142 0.000 0.767 138 E CB 1.821 31.462 29.700 -0.099 0.000 1.120 138 E HN 0.683 nan 8.360 nan 0.000 0.405 139 L N 4.260 125.413 121.223 -0.116 0.000 2.540 139 L HA -0.047 4.293 4.340 0.000 0.000 0.276 139 L C 0.450 177.277 176.870 -0.072 0.000 1.212 139 L CA 1.280 56.069 54.840 -0.085 0.000 0.893 139 L CB 0.552 42.566 42.059 -0.075 0.000 1.138 139 L HN 0.771 nan 8.230 nan 0.000 0.491 140 Q N 3.313 123.072 119.800 -0.067 0.000 2.471 140 Q HA 0.309 4.649 4.340 0.000 0.000 0.259 140 Q C -0.218 175.756 176.000 -0.043 0.000 0.850 140 Q CA 0.090 55.862 55.803 -0.052 0.000 0.981 140 Q CB 0.777 29.486 28.738 -0.047 0.000 1.180 140 Q HN 0.584 nan 8.270 nan 0.000 0.571 141 R N 0.510 120.965 120.500 -0.075 0.000 2.451 141 R HA 0.248 4.588 4.340 0.000 0.000 0.307 141 R C -2.250 173.975 176.300 -0.125 0.000 0.965 141 R CA -1.815 54.240 56.100 -0.075 0.000 0.865 141 R CB 1.467 31.716 30.300 -0.085 0.000 1.174 141 R HN -0.101 nan 8.270 nan 0.000 0.455 142 P HA -0.297 nan 4.420 nan 0.000 0.217 142 P C 0.979 178.271 177.300 -0.013 0.000 1.158 142 P CA 1.500 64.599 63.100 -0.000 0.000 0.887 142 P CB -0.005 31.726 31.700 0.052 0.000 0.792 143 H N -0.418 118.661 119.070 0.016 0.000 2.518 143 H HA -0.008 4.548 4.556 0.000 0.000 0.289 143 H C 1.118 176.460 175.328 0.024 0.000 1.051 143 H CA 1.053 57.113 56.048 0.019 0.000 1.280 143 H CB -0.732 29.038 29.762 0.014 0.000 1.380 143 H HN 0.260 nan 8.280 nan 0.000 0.566 144 E N 0.312 120.222 120.200 -0.484 0.000 2.482 144 E HA -0.031 4.319 4.350 0.000 0.000 0.196 144 E C 1.820 178.363 176.600 -0.096 0.000 1.047 144 E CA 0.120 56.342 56.400 -0.298 0.000 0.869 144 E CB 0.004 29.506 29.700 -0.331 0.000 0.836 144 E HN 0.289 nan 8.360 nan 0.000 0.520 145 I N 1.445 121.981 120.570 -0.056 0.000 2.248 145 I HA -0.310 3.860 4.170 0.000 0.000 0.248 145 I C 1.956 178.087 176.117 0.024 0.000 1.107 145 I CA 1.682 62.980 61.300 -0.004 0.000 1.373 145 I CB -0.403 37.608 38.000 0.018 0.000 1.055 145 I HN 0.009 nan 8.210 nan 0.000 0.418 146 T N 0.610 115.187 114.554 0.038 0.000 2.684 146 T HA -0.214 4.136 4.350 0.000 0.000 0.267 146 T C 1.428 176.160 174.700 0.052 0.000 1.036 146 T CA 1.814 63.950 62.100 0.059 0.000 1.148 146 T CB -0.651 68.259 68.868 0.069 0.000 0.863 146 T HN 0.700 nan 8.240 nan 0.000 0.436 147 D N 1.141 121.562 120.400 0.035 0.000 2.224 147 D HA -0.023 4.617 4.640 0.000 0.000 0.205 147 D C 1.993 178.303 176.300 0.016 0.000 0.965 147 D CA 0.581 54.598 54.000 0.029 0.000 0.852 147 D CB -0.672 40.145 40.800 0.028 0.000 0.947 147 D HN 0.330 nan 8.370 nan 0.000 0.494 148 L N 0.264 121.502 121.223 0.025 0.000 2.056 148 L HA -0.097 4.243 4.340 0.000 0.000 0.207 148 L C 2.536 179.407 176.870 0.001 0.000 1.078 148 L CA 0.633 55.507 54.840 0.057 0.000 0.749 148 L CB -0.396 41.699 42.059 0.061 0.000 0.901 148 L HN 0.057 nan 8.230 nan 0.000 0.433 149 V N 0.041 119.955 119.914 0.000 0.000 2.287 149 V HA -0.307 3.813 4.120 0.000 0.000 0.248 149 V C 2.150 178.173 176.094 -0.119 0.000 1.053 149 V CA 2.010 64.290 62.300 -0.034 0.000 1.027 149 V CB -0.554 31.290 31.823 0.035 0.000 0.646 149 V HN 0.433 nan 8.190 nan 0.000 0.447 150 D N 0.029 120.409 120.400 -0.033 0.000 2.123 150 D HA -0.129 4.511 4.640 0.000 0.000 0.196 150 D C 2.434 178.633 176.300 -0.168 0.000 0.992 150 D CA 1.736 55.717 54.000 -0.030 0.000 0.833 150 D CB -0.312 40.529 40.800 0.068 0.000 0.954 150 D HN 0.380 nan 8.370 nan 0.000 0.455 151 S N 0.212 115.774 115.700 -0.231 0.000 2.402 151 S HA -0.065 4.405 4.470 0.000 0.000 0.229 151 S C 2.064 176.162 174.600 -0.836 0.000 1.021 151 S CA 0.864 58.801 58.200 -0.438 0.000 0.974 151 S CB -0.119 62.857 63.200 -0.373 0.000 0.800 151 S HN 0.363 nan 8.310 nan 0.000 0.484 152 A N 1.214 123.571 122.820 -0.771 0.000 1.877 152 A HA -0.061 4.259 4.320 0.000 0.000 0.216 152 A C 2.321 179.705 177.584 -0.333 0.000 1.186 152 A CA 1.575 53.273 52.037 -0.566 0.000 0.620 152 A CB -0.916 17.971 19.000 -0.188 0.000 0.822 152 A HN 0.345 nan 8.150 nan 0.000 0.443 153 V N 0.893 120.614 119.914 -0.322 0.000 2.358 153 V HA -0.255 3.865 4.120 0.000 0.000 0.246 153 V C 2.331 178.310 176.094 -0.193 0.000 1.047 153 V CA 2.080 64.209 62.300 -0.285 0.000 1.035 153 V CB -1.051 30.463 31.823 -0.515 0.000 0.658 153 V HN 0.538 nan 8.190 nan 0.000 0.452 154 N N 0.806 119.389 118.700 -0.194 0.000 2.061 154 N HA -0.185 4.555 4.740 0.000 0.000 0.193 154 N C 1.837 177.281 175.510 -0.111 0.000 1.030 154 N CA 1.974 54.947 53.050 -0.127 0.000 0.856 154 N CB -0.559 37.854 38.487 -0.124 0.000 1.023 154 N HN 0.513 nan 8.380 nan 0.000 0.424 155 A N 0.461 123.187 122.820 -0.158 0.000 1.929 155 A HA 0.191 4.511 4.320 0.000 0.000 0.216 155 A C 2.297 179.858 177.584 -0.037 0.000 1.176 155 A CA 1.558 53.550 52.037 -0.075 0.000 0.628 155 A CB -0.652 18.319 19.000 -0.049 0.000 0.816 155 A HN 0.311 nan 8.150 nan 0.000 0.444 156 A N -1.208 121.577 122.820 -0.059 0.000 1.969 156 A HA -0.007 4.313 4.320 0.000 0.000 0.218 156 A C 1.834 179.401 177.584 -0.028 0.000 1.169 156 A CA 1.582 53.600 52.037 -0.031 0.000 0.635 156 A CB -0.302 18.672 19.000 -0.043 0.000 0.810 156 A HN 0.385 nan 8.150 nan 0.000 0.445 157 M N 0.611 120.188 119.600 -0.038 0.000 2.475 157 M HA 0.131 4.611 4.480 0.000 0.000 0.261 157 M C -0.454 175.836 176.300 -0.016 0.000 1.177 157 M CA 0.494 55.780 55.300 -0.024 0.000 0.979 157 M CB -0.510 32.076 32.600 -0.023 0.000 1.482 157 M HN 0.129 nan 8.290 nan 0.000 0.484 158 T N 1.238 115.783 114.554 -0.016 0.000 2.794 158 T HA 0.278 4.628 4.350 0.000 0.000 0.280 158 T C 0.365 175.060 174.700 -0.007 0.000 0.987 158 T CA -0.640 61.453 62.100 -0.011 0.000 0.993 158 T CB 1.844 70.706 68.868 -0.010 0.000 0.939 158 T HN 0.097 nan 8.240 nan 0.000 0.449 159 E N 3.494 123.689 120.200 -0.009 0.000 2.413 159 E HA 0.125 4.475 4.350 0.000 0.000 0.263 159 E C -2.230 174.367 176.600 -0.004 0.000 1.015 159 E CA -1.657 54.738 56.400 -0.008 0.000 0.916 159 E CB 0.233 29.924 29.700 -0.014 0.000 0.947 159 E HN 0.336 nan 8.360 nan 0.000 0.440 160 P HA 0.005 nan 4.420 nan 0.000 0.276 160 P C -0.176 177.123 177.300 -0.000 0.000 1.243 160 P CA -0.327 62.772 63.100 -0.002 0.000 0.768 160 P CB 0.476 32.175 31.700 -0.001 0.000 0.856 161 V N 1.673 121.586 119.914 -0.002 0.000 2.872 161 V HA 0.686 4.806 4.120 0.000 0.000 0.307 161 V C 0.580 176.672 176.094 -0.002 0.000 1.072 161 V CA 0.475 62.773 62.300 -0.003 0.000 1.148 161 V CB 0.043 31.862 31.823 -0.005 0.000 0.954 161 V HN 0.818 nan 8.190 nan 0.000 0.490 162 G N 3.250 112.051 108.800 0.001 0.000 2.489 162 G HA2 0.641 4.601 3.960 0.000 0.000 0.305 162 G HA3 0.641 4.601 3.960 0.000 0.000 0.305 162 G C -3.487 171.424 174.900 0.019 0.000 1.311 162 G CA -0.632 44.473 45.100 0.008 0.000 0.813 162 G HN 0.733 nan 8.290 nan 0.000 0.480 163 P HA 0.493 nan 4.420 nan 0.000 0.286 163 P C -0.722 176.637 177.300 0.099 0.000 1.261 163 P CA -0.249 62.884 63.100 0.055 0.000 0.821 163 P CB 1.859 33.591 31.700 0.053 0.000 1.013 164 S N 1.652 117.428 115.700 0.127 0.000 2.513 164 S HA 0.612 5.082 4.470 0.000 0.000 0.299 164 S C -0.977 173.785 174.600 0.271 0.000 1.087 164 S CA -0.328 58.006 58.200 0.224 0.000 1.012 164 S CB 0.648 63.952 63.200 0.173 0.000 1.044 164 S HN 0.438 nan 8.310 nan 0.000 0.485 165 F N 3.259 123.282 119.950 0.122 0.000 2.495 165 F HA 0.718 5.245 4.527 0.000 0.000 0.327 165 F C -1.317 174.502 175.800 0.030 0.000 1.103 165 F CA -1.090 56.932 58.000 0.037 0.000 0.949 165 F CB 0.685 39.675 39.000 -0.016 0.000 1.142 165 F HN 0.445 nan 8.300 nan 0.000 0.457 166 I N 4.830 124.909 120.570 -0.817 0.000 2.447 166 I HA 0.258 4.428 4.170 0.000 0.000 0.287 166 I C -0.496 174.980 176.117 -1.068 0.000 1.023 166 I CA -0.763 60.111 61.300 -0.710 0.000 1.083 166 I CB 1.852 39.688 38.000 -0.274 0.000 1.245 166 I HN 0.547 nan 8.210 nan 0.000 0.434 167 S N 7.077 122.243 115.700 -0.891 0.000 2.525 167 S HA 0.678 5.148 4.470 0.000 0.000 0.278 167 S C -0.588 173.834 174.600 -0.296 0.000 1.234 167 S CA -0.413 57.459 58.200 -0.547 0.000 1.058 167 S CB 0.482 63.536 63.200 -0.243 0.000 0.983 167 S HN 0.497 nan 8.310 nan 0.000 0.495 168 L N 6.292 127.380 121.223 -0.224 0.000 2.417 168 L HA 0.391 4.731 4.340 0.000 0.000 0.259 168 L C -2.503 174.326 176.870 -0.069 0.000 1.023 168 L CA -1.981 52.780 54.840 -0.133 0.000 0.901 168 L CB 1.679 43.668 42.059 -0.117 0.000 1.227 168 L HN 0.453 nan 8.230 nan 0.000 0.454 169 P HA -0.056 nan 4.420 nan 0.000 0.264 169 P C 1.222 178.514 177.300 -0.013 0.000 1.193 169 P CA -0.070 63.002 63.100 -0.048 0.000 0.763 169 P CB 0.942 32.605 31.700 -0.061 0.000 0.810 170 V N 1.349 121.263 119.914 0.001 0.000 2.594 170 V HA -0.227 3.893 4.120 0.000 0.000 0.253 170 V C 1.587 177.699 176.094 0.031 0.000 1.069 170 V CA 2.143 64.463 62.300 0.033 0.000 1.082 170 V CB -1.262 30.588 31.823 0.046 0.000 0.680 170 V HN 0.483 nan 8.190 nan 0.000 0.469 171 D N 1.121 121.534 120.400 0.023 0.000 2.117 171 D HA -0.191 4.449 4.640 0.000 0.000 0.198 171 D C 2.053 178.374 176.300 0.037 0.000 0.982 171 D CA 1.734 55.760 54.000 0.044 0.000 0.828 171 D CB -0.538 40.309 40.800 0.079 0.000 0.967 171 D HN 0.523 nan 8.370 nan 0.000 0.464 172 L N -0.465 120.772 121.223 0.023 0.000 2.156 172 L HA -0.030 4.310 4.340 0.000 0.000 0.208 172 L C 2.608 179.491 176.870 0.022 0.000 1.095 172 L CA 0.220 55.072 54.840 0.019 0.000 0.770 172 L CB -0.383 41.676 42.059 0.001 0.000 0.914 172 L HN 0.033 nan 8.230 nan 0.000 0.439 173 L N 0.543 121.783 121.223 0.028 0.000 2.083 173 L HA -0.069 4.271 4.340 0.000 0.000 0.209 173 L C 2.017 178.903 176.870 0.027 0.000 1.083 173 L CA 1.903 56.768 54.840 0.042 0.000 0.752 173 L CB -0.814 41.292 42.059 0.078 0.000 0.899 173 L HN 0.129 nan 8.230 nan 0.000 0.433 174 G N -1.504 107.310 108.800 0.023 0.000 3.314 174 G HA2 0.086 4.046 3.960 0.000 0.000 0.238 174 G HA3 0.086 4.046 3.960 0.000 0.000 0.238 174 G C 0.316 175.225 174.900 0.014 0.000 1.184 174 G CA 0.458 45.565 45.100 0.011 0.000 0.806 174 G HN 0.345 nan 8.290 nan 0.000 0.536 175 S N -0.065 115.648 115.700 0.021 0.000 2.525 175 S HA 0.421 4.891 4.470 0.000 0.000 0.290 175 S C 1.417 176.030 174.600 0.021 0.000 1.152 175 S CA 0.121 58.334 58.200 0.022 0.000 1.072 175 S CB 1.437 64.655 63.200 0.030 0.000 1.027 175 S HN 0.283 nan 8.310 nan 0.000 0.500 176 S N 2.485 118.193 115.700 0.013 0.000 2.556 176 S HA 0.177 4.647 4.470 0.000 0.000 0.216 176 S C 0.425 175.035 174.600 0.018 0.000 0.970 176 S CA -0.384 57.821 58.200 0.008 0.000 0.912 176 S CB -0.345 62.848 63.200 -0.011 0.000 0.790 176 S HN 0.854 nan 8.310 nan 0.000 0.504 177 E N 1.541 121.759 120.200 0.029 0.000 2.585 177 E HA 0.279 4.629 4.350 0.000 0.000 0.252 177 E C 1.197 177.833 176.600 0.060 0.000 0.981 177 E CA 0.796 57.217 56.400 0.036 0.000 0.943 177 E CB -0.449 29.277 29.700 0.043 0.000 0.923 177 E HN 0.550 nan 8.360 nan 0.000 0.486 178 G N 4.278 113.088 108.800 0.016 0.000 2.168 178 G HA2 -0.295 3.665 3.960 0.000 0.000 0.263 178 G HA3 -0.295 3.665 3.960 0.000 0.000 0.263 178 G C 0.224 175.111 174.900 -0.021 0.000 0.977 178 G CA 0.376 45.452 45.100 -0.040 0.000 0.659 178 G HN 0.573 nan 8.290 nan 0.000 0.533 179 I N 1.006 121.589 120.570 0.021 0.000 2.331 179 I HA 0.443 4.613 4.170 0.000 0.000 0.292 179 I C -0.562 175.548 176.117 -0.011 0.000 0.998 179 I CA -0.523 60.793 61.300 0.028 0.000 1.267 179 I CB 1.609 39.632 38.000 0.039 0.000 1.386 179 I HN 0.025 nan 8.210 nan 0.000 0.476 180 D N 4.074 124.467 120.400 -0.012 0.000 2.358 180 D HA 0.124 4.764 4.640 0.000 0.000 0.253 180 D C 0.797 177.087 176.300 -0.017 0.000 1.288 180 D CA -0.406 53.579 54.000 -0.025 0.000 0.950 180 D CB 1.208 41.991 40.800 -0.029 0.000 1.197 180 D HN 0.582 nan 8.370 nan 0.000 0.550 181 T N -0.801 113.732 114.554 -0.035 0.000 3.148 181 T HA -0.073 4.277 4.350 0.000 0.000 0.253 181 T C 1.669 176.361 174.700 -0.014 0.000 1.134 181 T CA 1.040 63.127 62.100 -0.022 0.000 1.051 181 T CB -0.237 68.587 68.868 -0.073 0.000 0.959 181 T HN 0.330 nan 8.240 nan 0.000 0.525 182 T N 0.149 114.691 114.554 -0.021 0.000 2.951 182 T HA 0.080 4.430 4.350 0.000 0.000 0.268 182 T C 0.745 175.442 174.700 -0.006 0.000 1.073 182 T CA 0.171 62.263 62.100 -0.014 0.000 1.134 182 T CB -0.721 68.136 68.868 -0.018 0.000 0.884 182 T HN 0.265 nan 8.240 nan 0.000 0.479 183 V N 4.229 124.140 119.914 -0.004 0.000 2.368 183 V HA 0.353 4.473 4.120 0.000 0.000 0.266 183 V C -2.116 173.983 176.094 0.009 0.000 1.045 183 V CA -2.032 60.269 62.300 0.000 0.000 0.899 183 V CB 0.425 32.246 31.823 -0.002 0.000 1.006 183 V HN 0.334 nan 8.190 nan 0.000 0.470 184 P HA 0.143 nan 4.420 nan 0.000 0.269 184 P C -0.126 177.183 177.300 0.014 0.000 1.215 184 P CA -0.373 62.735 63.100 0.013 0.000 0.780 184 P CB 0.396 32.100 31.700 0.007 0.000 0.898 185 N N 2.415 121.125 118.700 0.016 0.000 2.454 185 N HA 0.099 4.839 4.740 0.000 0.000 0.254 185 N C -1.915 173.596 175.510 0.003 0.000 1.228 185 N CA -0.755 52.304 53.050 0.014 0.000 0.900 185 N CB -0.760 37.733 38.487 0.010 0.000 1.089 185 N HN 0.370 nan 8.380 nan 0.000 0.449 186 P HA 0.185 nan 4.420 nan 0.000 0.270 186 P C -2.500 174.788 177.300 -0.020 0.000 1.227 186 P CA -0.766 62.334 63.100 -0.001 0.000 0.788 186 P CB -0.628 31.078 31.700 0.009 0.000 0.926 187 P HA 0.036 nan 4.420 nan 0.000 0.266 187 P C 0.540 177.799 177.300 -0.069 0.000 1.195 187 P CA 0.176 63.250 63.100 -0.043 0.000 0.768 187 P CB 0.226 31.911 31.700 -0.026 0.000 0.838 188 A N 3.411 126.147 122.820 -0.140 0.000 1.897 188 A HA -0.114 4.206 4.320 0.000 0.000 0.215 188 A C 0.786 178.304 177.584 -0.110 0.000 1.181 188 A CA 0.791 52.664 52.037 -0.273 0.000 0.620 188 A CB -0.988 17.639 19.000 -0.623 0.000 0.821 188 A HN 0.652 nan 8.150 nan 0.000 0.443 189 N N 0.309 118.973 118.700 -0.062 0.000 2.727 189 N HA -0.117 4.624 4.740 0.000 0.000 0.249 189 N C -0.585 174.958 175.510 0.053 0.000 1.048 189 N CA 1.313 54.364 53.050 0.002 0.000 0.714 189 N CB -2.118 36.377 38.487 0.013 0.000 0.959 189 N HN 0.516 nan 8.380 nan 0.000 0.544 190 T N 1.716 116.316 114.554 0.077 0.000 2.829 190 T HA 0.191 4.541 4.350 0.000 0.000 0.293 190 T C -1.741 173.003 174.700 0.074 0.000 0.970 190 T CA -0.570 61.621 62.100 0.151 0.000 1.168 190 T CB 0.539 69.524 68.868 0.196 0.000 0.911 190 T HN 0.071 nan 8.240 nan 0.000 0.535 191 P HA 0.209 nan 4.420 nan 0.000 0.265 191 P C 0.411 177.731 177.300 0.034 0.000 1.193 191 P CA -0.237 62.884 63.100 0.034 0.000 0.765 191 P CB 0.453 32.165 31.700 0.021 0.000 0.823 192 A N 3.773 126.610 122.820 0.029 0.000 2.016 192 A HA -0.020 4.300 4.320 0.000 0.000 0.217 192 A C 0.831 178.432 177.584 0.028 0.000 1.162 192 A CA 1.200 53.254 52.037 0.029 0.000 0.662 192 A CB -0.462 18.553 19.000 0.026 0.000 0.812 192 A HN 0.651 nan 8.150 nan 0.000 0.450 193 K N -1.180 119.235 120.400 0.024 0.000 2.509 193 K HA 0.589 4.910 4.320 0.000 0.000 0.266 193 K C -3.464 173.145 176.600 0.015 0.000 0.987 193 K CA -2.142 54.159 56.287 0.023 0.000 0.868 193 K CB 1.149 33.663 32.500 0.024 0.000 1.421 193 K HN -0.226 nan 8.250 nan 0.000 0.444 194 P HA -0.016 nan 4.420 nan 0.000 0.266 194 P C -0.556 176.742 177.300 -0.004 0.000 1.195 194 P CA -0.436 62.666 63.100 0.003 0.000 0.768 194 P CB 0.538 32.240 31.700 0.004 0.000 0.838 195 V N 2.814 122.724 119.914 -0.007 0.000 2.843 195 V HA 0.472 4.592 4.120 0.000 0.000 0.305 195 V C 1.135 177.218 176.094 -0.019 0.000 1.065 195 V CA 0.865 63.158 62.300 -0.012 0.000 1.116 195 V CB 0.493 32.311 31.823 -0.009 0.000 0.968 195 V HN 0.852 nan 8.190 nan 0.000 0.487 196 G N 2.087 110.870 108.800 -0.029 0.000 2.725 196 G HA2 0.686 4.646 3.960 0.000 0.000 0.288 196 G HA3 0.686 4.646 3.960 0.000 0.000 0.288 196 G C -0.884 173.990 174.900 -0.044 0.000 1.399 196 G CA -0.215 44.861 45.100 -0.040 0.000 0.859 196 G HN 0.956 nan 8.290 nan 0.000 0.479 197 V N -2.126 117.758 119.914 -0.049 0.000 2.863 197 V HA 0.864 4.984 4.120 0.000 0.000 0.307 197 V C -0.401 175.645 176.094 -0.080 0.000 1.061 197 V CA -0.854 61.418 62.300 -0.046 0.000 1.024 197 V CB 1.449 33.255 31.823 -0.029 0.000 1.049 197 V HN 0.628 nan 8.190 nan 0.000 0.471 198 V N 2.507 122.386 119.914 -0.059 0.000 2.623 198 V HA 0.771 4.892 4.120 0.000 0.000 0.304 198 V C 0.341 176.448 176.094 0.022 0.000 1.054 198 V CA -0.100 62.151 62.300 -0.081 0.000 0.882 198 V CB 1.403 33.170 31.823 -0.093 0.000 1.002 198 V HN 1.418 nan 8.190 nan 0.000 0.424 199 A N 2.736 125.591 122.820 0.059 0.000 2.327 199 A HA 0.591 4.911 4.320 0.000 0.000 0.283 199 A C -0.091 177.611 177.584 0.198 0.000 1.127 199 A CA -0.320 51.780 52.037 0.104 0.000 0.810 199 A CB 0.474 19.521 19.000 0.078 0.000 1.066 199 A HN 0.931 nan 8.150 nan 0.000 0.492 200 D N 1.278 121.754 120.400 0.127 0.000 2.488 200 D HA 0.352 4.992 4.640 0.000 0.000 0.238 200 D C 1.377 177.726 176.300 0.082 0.000 1.138 200 D CA 2.076 56.138 54.000 0.104 0.000 0.873 200 D CB 0.272 41.105 40.800 0.054 0.000 1.183 200 D HN 1.269 nan 8.370 nan 0.000 0.458 201 G N 3.577 112.389 108.800 0.021 0.000 2.143 201 G HA2 -0.273 3.687 3.960 0.000 0.000 0.249 201 G HA3 -0.273 3.687 3.960 0.000 0.000 0.249 201 G C 1.062 175.942 174.900 -0.034 0.000 0.981 201 G CA 0.504 45.579 45.100 -0.042 0.000 0.665 201 G HN 0.705 nan 8.290 nan 0.000 0.528 202 W N 0.230 121.508 121.300 -0.038 0.000 2.374 202 W HA -0.069 4.591 4.660 0.000 0.000 0.288 202 W C 1.451 177.921 176.519 -0.080 0.000 1.218 202 W CA 1.398 58.716 57.345 -0.045 0.000 1.245 202 W CB -0.658 28.779 29.460 -0.039 0.000 1.126 202 W HN 0.397 nan 8.180 nan 0.000 0.545 203 Q N 1.460 120.630 119.800 -1.050 0.000 2.084 203 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 203 Q C 2.323 178.084 176.000 -0.399 0.000 0.978 203 Q CA 2.417 57.509 55.803 -1.184 0.000 0.844 203 Q CB -0.591 27.424 28.738 -1.206 0.000 0.898 203 Q HN 0.332 nan 8.270 nan 0.000 0.426 204 K N 0.204 120.469 120.400 -0.226 0.000 2.097 204 K HA -0.123 4.197 4.320 0.000 0.000 0.206 204 K C 1.958 178.572 176.600 0.023 0.000 1.049 204 K CA 1.153 57.406 56.287 -0.058 0.000 0.933 204 K CB -0.165 32.306 32.500 -0.049 0.000 0.717 204 K HN 0.218 nan 8.250 nan 0.000 0.442 205 A N 1.063 123.907 122.820 0.040 0.000 1.902 205 A HA -0.096 4.224 4.320 0.000 0.000 0.217 205 A C 2.330 180.024 177.584 0.184 0.000 1.181 205 A CA 1.822 53.919 52.037 0.100 0.000 0.623 205 A CB -0.810 18.255 19.000 0.108 0.000 0.818 205 A HN 0.473 nan 8.150 nan 0.000 0.443 206 A N -0.006 122.972 122.820 0.263 0.000 1.933 206 A HA -0.175 4.145 4.320 0.000 0.000 0.218 206 A C 1.732 179.593 177.584 0.462 0.000 1.175 206 A CA 1.903 54.233 52.037 0.489 0.000 0.628 206 A CB -0.571 18.792 19.000 0.604 0.000 0.814 206 A HN 0.464 nan 8.150 nan 0.000 0.444 207 D N -0.232 120.351 120.400 0.305 0.000 2.117 207 D HA -0.155 4.485 4.640 0.000 0.000 0.197 207 D C 2.198 178.624 176.300 0.210 0.000 0.987 207 D CA 1.541 55.683 54.000 0.237 0.000 0.829 207 D CB -0.463 40.429 40.800 0.153 0.000 0.961 207 D HN 0.639 nan 8.370 nan 0.000 0.460 208 Q N 0.332 120.237 119.800 0.175 0.000 2.124 208 Q HA -0.074 4.266 4.340 0.000 0.000 0.202 208 Q C 2.228 178.345 176.000 0.195 0.000 0.977 208 Q CA 1.410 57.302 55.803 0.147 0.000 0.850 208 Q CB -0.144 28.654 28.738 0.100 0.000 0.901 208 Q HN 0.232 nan 8.270 nan 0.000 0.429 209 A N 1.282 124.259 122.820 0.262 0.000 1.902 209 A HA -0.161 4.159 4.320 0.000 0.000 0.217 209 A C 2.338 180.223 177.584 0.502 0.000 1.181 209 A CA 1.639 53.875 52.037 0.332 0.000 0.623 209 A CB -0.875 18.325 19.000 0.334 0.000 0.818 209 A HN 0.406 nan 8.150 nan 0.000 0.443 210 A N -0.080 123.082 122.820 0.570 0.000 1.908 210 A HA 0.101 4.421 4.320 0.000 0.000 0.218 210 A C 2.528 180.339 177.584 0.378 0.000 1.181 210 A CA 2.311 54.575 52.037 0.377 0.000 0.627 210 A CB -1.100 17.956 19.000 0.092 0.000 0.818 210 A HN 1.124 nan 8.150 nan 0.000 0.445 211 A N -0.239 122.740 122.820 0.265 0.000 1.908 211 A HA -0.081 4.239 4.320 0.000 0.000 0.218 211 A C 2.183 179.842 177.584 0.125 0.000 1.181 211 A CA 1.563 53.700 52.037 0.165 0.000 0.627 211 A CB -0.641 18.428 19.000 0.114 0.000 0.818 211 A HN 0.492 nan 8.150 nan 0.000 0.445 212 L N -1.185 120.130 121.223 0.154 0.000 2.046 212 L HA -0.188 4.152 4.340 0.000 0.000 0.208 212 L C 2.585 179.536 176.870 0.134 0.000 1.077 212 L CA 1.300 56.213 54.840 0.122 0.000 0.747 212 L CB -0.623 41.509 42.059 0.122 0.000 0.896 212 L HN 0.470 nan 8.230 nan 0.000 0.432 213 L N 0.402 121.766 121.223 0.235 0.000 2.042 213 L HA -0.175 4.165 4.340 0.000 0.000 0.210 213 L C 2.668 179.613 176.870 0.126 0.000 1.076 213 L CA 2.039 57.034 54.840 0.259 0.000 0.749 213 L CB -0.763 41.562 42.059 0.443 0.000 0.893 213 L HN 0.156 nan 8.230 nan 0.000 0.432 214 A N -0.774 122.054 122.820 0.013 0.000 1.908 214 A HA -0.251 4.069 4.320 0.000 0.000 0.218 214 A C 2.158 179.622 177.584 -0.201 0.000 1.181 214 A CA 2.029 53.834 52.037 -0.386 0.000 0.627 214 A CB -0.661 17.980 19.000 -0.597 0.000 0.818 214 A HN 0.649 nan 8.150 nan 0.000 0.445 215 E N -0.262 119.885 120.200 -0.088 0.000 2.358 215 E HA 0.210 4.560 4.350 0.000 0.000 0.195 215 E C 0.794 177.370 176.600 -0.040 0.000 1.010 215 E CA 0.121 56.485 56.400 -0.061 0.000 0.856 215 E CB -0.132 29.550 29.700 -0.029 0.000 0.795 215 E HN 0.599 nan 8.360 nan 0.000 0.504 216 A N 1.577 124.389 122.820 -0.014 0.000 2.401 216 A HA 0.080 4.400 4.320 0.000 0.000 0.259 216 A C 0.992 178.550 177.584 -0.044 0.000 1.103 216 A CA -0.133 51.903 52.037 -0.002 0.000 0.789 216 A CB 0.800 19.829 19.000 0.048 0.000 1.035 216 A HN 0.036 nan 8.150 nan 0.000 0.491 217 K N 0.473 120.817 120.400 -0.094 0.000 2.067 217 K HA -0.010 4.310 4.320 0.000 0.000 0.203 217 K C -0.263 176.145 176.600 -0.320 0.000 1.048 217 K CA 0.850 56.983 56.287 -0.256 0.000 0.954 217 K CB 0.026 32.311 32.500 -0.360 0.000 0.737 217 K HN 0.822 nan 8.250 nan 0.000 0.444 218 H N 1.124 120.229 119.070 0.057 0.000 2.448 218 H HA 0.317 4.873 4.556 0.000 0.000 0.237 218 H C -2.577 172.795 175.328 0.073 0.000 1.391 218 H CA -2.495 53.604 56.048 0.085 0.000 1.477 218 H CB 1.198 31.006 29.762 0.076 0.000 1.520 218 H HN 0.259 nan 8.280 nan 0.000 0.502 219 P HA 0.186 nan 4.420 nan 0.000 0.279 219 P C -0.024 177.337 177.300 0.101 0.000 1.252 219 P CA -0.512 62.662 63.100 0.122 0.000 0.811 219 P CB 2.226 34.000 31.700 0.124 0.000 1.035 220 V N -0.764 119.186 119.914 0.061 0.000 2.962 220 V HA 0.578 4.698 4.120 0.000 0.000 0.313 220 V C -0.704 175.389 176.094 -0.001 0.000 1.099 220 V CA -1.172 61.140 62.300 0.020 0.000 0.971 220 V CB 1.818 33.667 31.823 0.044 0.000 1.028 220 V HN 0.261 nan 8.190 nan 0.000 0.430 221 L N 3.292 124.506 121.223 -0.014 0.000 2.272 221 L HA 0.603 4.943 4.340 0.000 0.000 0.289 221 L C -0.551 176.317 176.870 -0.002 0.000 1.032 221 L CA -0.726 54.107 54.840 -0.011 0.000 0.810 221 L CB 1.700 43.761 42.059 0.004 0.000 1.205 221 L HN 0.542 nan 8.230 nan 0.000 0.422 222 V N 4.946 124.856 119.914 -0.006 0.000 2.333 222 V HA 0.270 4.390 4.120 0.000 0.000 0.274 222 V C 0.166 176.293 176.094 0.055 0.000 1.028 222 V CA -0.529 61.800 62.300 0.050 0.000 0.851 222 V CB 1.699 33.560 31.823 0.063 0.000 1.000 222 V HN 0.414 nan 8.190 nan 0.000 0.456 223 V N 4.763 124.710 119.914 0.055 0.000 2.394 223 V HA 0.743 4.863 4.120 0.000 0.000 0.282 223 V C 0.818 176.937 176.094 0.043 0.000 1.031 223 V CA -0.142 62.180 62.300 0.037 0.000 0.881 223 V CB 1.468 33.298 31.823 0.012 0.000 0.982 223 V HN 0.893 nan 8.190 nan 0.000 0.451 224 G N 2.434 111.254 108.800 0.034 0.000 2.509 224 G HA2 0.561 4.521 3.960 0.000 0.000 0.328 224 G HA3 0.561 4.521 3.960 0.000 0.000 0.328 224 G C 0.859 175.769 174.900 0.017 0.000 1.194 224 G CA -0.018 45.092 45.100 0.015 0.000 0.967 224 G HN 0.892 nan 8.290 nan 0.000 0.488 225 A N -0.162 122.681 122.820 0.039 0.000 2.019 225 A HA 0.197 4.517 4.320 0.000 0.000 0.219 225 A C 2.600 180.235 177.584 0.086 0.000 1.164 225 A CA 2.238 54.330 52.037 0.092 0.000 0.644 225 A CB -0.616 18.508 19.000 0.206 0.000 0.805 225 A HN 1.316 nan 8.150 nan 0.000 0.449 226 A N -0.082 122.765 122.820 0.045 0.000 2.024 226 A HA 0.132 4.452 4.320 0.000 0.000 0.220 226 A C 2.398 179.998 177.584 0.026 0.000 1.164 226 A CA 1.877 53.934 52.037 0.033 0.000 0.643 226 A CB -0.780 18.224 19.000 0.007 0.000 0.806 226 A HN 1.018 nan 8.150 nan 0.000 0.451 227 A N -0.025 122.805 122.820 0.017 0.000 1.930 227 A HA -0.034 4.286 4.320 0.000 0.000 0.217 227 A C 2.065 179.652 177.584 0.006 0.000 1.175 227 A CA 1.422 53.466 52.037 0.011 0.000 0.627 227 A CB -0.517 18.488 19.000 0.008 0.000 0.815 227 A HN 0.521 nan 8.150 nan 0.000 0.443 228 I N -0.933 119.635 120.570 -0.003 0.000 2.233 228 I HA -0.226 3.944 4.170 0.000 0.000 0.243 228 I C 2.654 178.805 176.117 0.056 0.000 1.093 228 I CA 1.138 62.423 61.300 -0.025 0.000 1.380 228 I CB -0.394 37.509 38.000 -0.161 0.000 1.067 228 I HN 0.249 nan 8.210 nan 0.000 0.413 229 R N 0.164 120.726 120.500 0.103 0.000 2.127 229 R HA -0.139 4.201 4.340 0.000 0.000 0.238 229 R C 2.397 178.730 176.300 0.056 0.000 1.134 229 R CA 1.483 57.644 56.100 0.101 0.000 0.975 229 R CB -0.465 29.889 30.300 0.089 0.000 0.865 229 R HN 0.236 nan 8.270 nan 0.000 0.447 230 S N -0.411 115.311 115.700 0.036 0.000 2.515 230 S HA 0.005 4.475 4.470 0.000 0.000 0.231 230 S C 1.146 175.759 174.600 0.023 0.000 0.987 230 S CA 0.840 59.052 58.200 0.020 0.000 0.936 230 S CB -0.055 63.151 63.200 0.009 0.000 0.766 230 S HN 0.641 nan 8.310 nan 0.000 0.528 231 G N 0.193 109.009 108.800 0.027 0.000 2.182 231 G HA2 -0.184 3.777 3.960 0.000 0.000 0.248 231 G HA3 -0.184 3.777 3.960 0.000 0.000 0.248 231 G C 0.435 175.345 174.900 0.016 0.000 1.042 231 G CA 0.198 45.312 45.100 0.022 0.000 0.775 231 G HN 0.930 nan 8.290 nan 0.000 0.501 232 A N -0.909 121.919 122.820 0.013 0.000 2.387 232 A HA 0.646 4.966 4.320 0.000 0.000 0.234 232 A C 2.145 179.733 177.584 0.006 0.000 1.253 232 A CA 1.323 53.371 52.037 0.018 0.000 0.894 232 A CB 0.188 19.209 19.000 0.036 0.000 0.963 232 A HN 0.904 nan 8.150 nan 0.000 0.508 233 V N 1.041 120.948 119.914 -0.013 0.000 2.261 233 V HA -0.151 3.969 4.120 0.000 0.000 0.246 233 V C -0.075 176.006 176.094 -0.022 0.000 1.047 233 V CA 2.600 64.881 62.300 -0.031 0.000 1.015 233 V CB -1.349 30.438 31.823 -0.059 0.000 0.642 233 V HN 0.369 nan 8.190 nan 0.000 0.446 234 P HA -0.170 nan 4.420 nan 0.000 0.216 234 P C 1.644 178.945 177.300 0.002 0.000 1.153 234 P CA 2.048 65.145 63.100 -0.004 0.000 0.858 234 P CB -0.161 31.540 31.700 0.002 0.000 0.789 235 A N -1.021 121.804 122.820 0.008 0.000 1.930 235 A HA -0.151 4.169 4.320 0.000 0.000 0.217 235 A C 2.202 179.798 177.584 0.020 0.000 1.175 235 A CA 1.316 53.362 52.037 0.014 0.000 0.627 235 A CB -1.508 17.505 19.000 0.021 0.000 0.815 235 A HN 0.119 nan 8.150 nan 0.000 0.443 236 I N -1.093 119.489 120.570 0.020 0.000 2.252 236 I HA -0.214 3.956 4.170 0.000 0.000 0.245 236 I C 2.676 178.797 176.117 0.006 0.000 1.102 236 I CA 1.506 62.822 61.300 0.026 0.000 1.385 236 I CB -0.272 37.740 38.000 0.019 0.000 1.064 236 I HN 0.370 nan 8.210 nan 0.000 0.414 237 R N 1.318 121.807 120.500 -0.019 0.000 2.083 237 R HA -0.208 4.132 4.340 0.000 0.000 0.237 237 R C 2.334 178.636 176.300 0.003 0.000 1.137 237 R CA 1.790 57.866 56.100 -0.040 0.000 0.951 237 R CB -0.284 29.983 30.300 -0.056 0.000 0.851 237 R HN 0.355 nan 8.270 nan 0.000 0.434 238 A N 1.051 123.879 122.820 0.013 0.000 1.902 238 A HA -0.151 4.169 4.320 0.000 0.000 0.217 238 A C 2.059 179.656 177.584 0.022 0.000 1.181 238 A CA 1.276 53.326 52.037 0.021 0.000 0.623 238 A CB -0.583 18.424 19.000 0.012 0.000 0.818 238 A HN 0.418 nan 8.150 nan 0.000 0.443 239 L N -0.230 121.008 121.223 0.025 0.000 2.017 239 L HA -0.059 4.281 4.340 0.000 0.000 0.208 239 L C 2.659 179.559 176.870 0.050 0.000 1.073 239 L CA 2.305 57.167 54.840 0.037 0.000 0.745 239 L CB -0.716 41.390 42.059 0.077 0.000 0.894 239 L HN 0.322 nan 8.230 nan 0.000 0.432 240 A N -0.737 122.111 122.820 0.047 0.000 1.877 240 A HA -0.235 4.085 4.320 0.000 0.000 0.216 240 A C 2.171 179.791 177.584 0.060 0.000 1.186 240 A CA 1.889 53.953 52.037 0.044 0.000 0.620 240 A CB -0.722 18.281 19.000 0.006 0.000 0.822 240 A HN 0.621 nan 8.150 nan 0.000 0.443 241 E N -0.894 119.350 120.200 0.073 0.000 2.077 241 E HA -0.217 4.133 4.350 0.000 0.000 0.193 241 E C 2.307 178.945 176.600 0.063 0.000 0.989 241 E CA 1.301 57.760 56.400 0.098 0.000 0.800 241 E CB -0.176 29.595 29.700 0.119 0.000 0.746 241 E HN 0.635 nan 8.360 nan 0.000 0.452 242 R N 0.780 121.306 120.500 0.045 0.000 2.081 242 R HA -0.101 4.239 4.340 0.000 0.000 0.235 242 R C 1.795 178.118 176.300 0.039 0.000 1.131 242 R CA 1.193 57.312 56.100 0.030 0.000 0.960 242 R CB -0.027 30.277 30.300 0.008 0.000 0.856 242 R HN 0.160 nan 8.270 nan 0.000 0.436 243 L N 0.503 121.756 121.223 0.049 0.000 2.640 243 L HA 0.154 4.494 4.340 0.000 0.000 0.230 243 L C 0.074 176.987 176.870 0.072 0.000 1.123 243 L CA -0.192 54.688 54.840 0.067 0.000 0.900 243 L CB 0.010 42.118 42.059 0.082 0.000 1.146 243 L HN 0.331 nan 8.230 nan 0.000 0.484 244 N N 1.383 120.122 118.700 0.065 0.000 2.756 244 N HA -0.207 4.533 4.740 0.000 0.000 0.248 244 N C -0.681 174.860 175.510 0.052 0.000 1.062 244 N CA 0.427 53.516 53.050 0.064 0.000 0.696 244 N CB -1.178 37.349 38.487 0.066 0.000 0.946 244 N HN 0.324 nan 8.380 nan 0.000 0.548 245 I N 0.470 121.062 120.570 0.036 0.000 2.321 245 I HA 0.377 4.547 4.170 0.000 0.000 0.291 245 I C -1.874 174.185 176.117 -0.097 0.000 0.998 245 I CA -2.138 59.166 61.300 0.006 0.000 1.227 245 I CB 1.486 39.517 38.000 0.051 0.000 1.368 245 I HN 0.006 nan 8.210 nan 0.000 0.466 246 P HA 0.046 nan 4.420 nan 0.000 0.267 246 P C -0.754 176.339 177.300 -0.343 0.000 1.200 246 P CA -0.079 62.661 63.100 -0.600 0.000 0.772 246 P CB 0.636 31.634 31.700 -1.170 0.000 0.855 247 V N 5.205 124.951 119.914 -0.280 0.000 2.378 247 V HA 0.353 4.473 4.120 0.000 0.000 0.288 247 V C 0.316 176.382 176.094 -0.046 0.000 1.016 247 V CA -0.325 61.905 62.300 -0.116 0.000 0.840 247 V CB 0.926 32.699 31.823 -0.084 0.000 0.994 247 V HN 0.388 nan 8.190 nan 0.000 0.431 248 I N 4.567 125.138 120.570 0.002 0.000 2.460 248 I HA 0.622 4.792 4.170 0.000 0.000 0.298 248 I C 0.529 176.700 176.117 0.089 0.000 0.989 248 I CA -0.148 61.198 61.300 0.077 0.000 1.173 248 I CB 2.354 40.429 38.000 0.125 0.000 1.338 248 I HN 0.730 nan 8.210 nan 0.000 0.456 249 T N 0.251 114.864 114.554 0.099 0.000 2.926 249 T HA 0.570 4.920 4.350 0.000 0.000 0.289 249 T C 0.097 174.876 174.700 0.131 0.000 1.054 249 T CA -0.716 61.441 62.100 0.094 0.000 1.015 249 T CB 1.653 70.561 68.868 0.066 0.000 1.167 249 T HN 0.666 nan 8.240 nan 0.000 0.526 250 T N -0.200 114.422 114.554 0.114 0.000 2.754 250 T HA 0.207 4.557 4.350 0.000 0.000 0.286 250 T C 0.888 175.723 174.700 0.225 0.000 0.997 250 T CA -0.493 61.676 62.100 0.114 0.000 0.982 250 T CB -0.117 68.764 68.868 0.023 0.000 1.027 250 T HN 0.507 nan 8.240 nan 0.000 0.529 251 Y N -0.000 120.320 120.300 0.034 0.000 2.241 251 Y HA -0.048 4.502 4.550 0.000 0.000 0.286 251 Y C 2.166 178.171 175.900 0.176 0.000 1.166 251 Y CA 0.440 58.590 58.100 0.084 0.000 1.203 251 Y CB -0.731 37.753 38.460 0.039 0.000 0.977 251 Y HN 0.440 nan 8.280 nan 0.000 0.529 252 I N -1.951 118.788 120.570 0.282 0.000 3.854 252 I HA 0.146 4.316 4.170 0.000 0.000 0.312 252 I C 1.793 178.039 176.117 0.215 0.000 1.273 252 I CA 0.568 62.017 61.300 0.249 0.000 1.298 252 I CB -1.090 37.020 38.000 0.183 0.000 1.071 252 I HN 0.016 nan 8.210 nan 0.000 0.428 253 A N 0.687 123.588 122.820 0.135 0.000 2.460 253 A HA 0.154 4.474 4.320 0.000 0.000 0.258 253 A C 0.757 178.354 177.584 0.023 0.000 1.300 253 A CA -0.287 51.767 52.037 0.028 0.000 0.913 253 A CB -0.351 18.657 19.000 0.014 0.000 1.031 253 A HN 0.124 nan 8.150 nan 0.000 0.512 254 K N -0.013 120.446 120.400 0.097 0.000 2.447 254 K HA 0.359 4.679 4.320 0.000 0.000 0.281 254 K C 1.076 177.703 176.600 0.045 0.000 1.031 254 K CA 0.996 57.331 56.287 0.080 0.000 1.019 254 K CB 0.242 32.816 32.500 0.125 0.000 0.918 254 K HN 0.595 nan 8.250 nan 0.000 0.476 255 G N 1.016 109.820 108.800 0.007 0.000 2.192 255 G HA2 -0.274 3.686 3.960 0.000 0.000 0.193 255 G HA3 -0.274 3.686 3.960 0.000 0.000 0.193 255 G C 0.699 175.563 174.900 -0.060 0.000 0.999 255 G CA 0.045 45.137 45.100 -0.014 0.000 0.659 255 G HN 0.518 nan 8.290 nan 0.000 0.503 256 V N -1.282 118.584 119.914 -0.079 0.000 2.759 256 V HA 0.423 4.543 4.120 0.000 0.000 0.256 256 V C 1.136 177.173 176.094 -0.095 0.000 1.080 256 V CA 1.385 63.627 62.300 -0.095 0.000 1.101 256 V CB -0.331 31.437 31.823 -0.091 0.000 0.698 256 V HN 0.427 nan 8.190 nan 0.000 0.477 257 L N 0.300 121.467 121.223 -0.093 0.000 2.354 257 L HA 0.598 4.938 4.340 0.000 0.000 0.269 257 L C -2.559 174.290 176.870 -0.036 0.000 1.005 257 L CA -2.240 52.520 54.840 -0.133 0.000 0.819 257 L CB 2.197 44.103 42.059 -0.255 0.000 1.311 257 L HN -0.053 nan 8.230 nan 0.000 0.423 258 P HA 0.033 nan 4.420 nan 0.000 0.269 258 P C -0.574 176.776 177.300 0.082 0.000 1.215 258 P CA -0.380 62.755 63.100 0.059 0.000 0.780 258 P CB 0.443 32.199 31.700 0.092 0.000 0.898 259 V N 2.064 122.016 119.914 0.062 0.000 2.644 259 V HA 0.202 4.322 4.120 0.000 0.000 0.305 259 V C 1.735 177.873 176.094 0.072 0.000 1.053 259 V CA 1.989 64.326 62.300 0.061 0.000 1.186 259 V CB -0.650 31.200 31.823 0.045 0.000 0.895 259 V HN 1.057 nan 8.190 nan 0.000 0.490 260 G N 2.666 111.511 108.800 0.075 0.000 2.217 260 G HA2 -0.240 3.720 3.960 0.000 0.000 0.246 260 G HA3 -0.240 3.720 3.960 0.000 0.000 0.246 260 G C 0.350 175.297 174.900 0.078 0.000 0.990 260 G CA 0.224 45.360 45.100 0.059 0.000 0.627 260 G HN 0.932 nan 8.290 nan 0.000 0.522 261 H N 2.300 121.387 119.070 0.028 0.000 2.928 261 H HA 0.181 4.737 4.556 0.000 0.000 0.338 261 H C 1.937 177.297 175.328 0.054 0.000 1.047 261 H CA 1.106 57.175 56.048 0.035 0.000 1.435 261 H CB 0.733 30.515 29.762 0.034 0.000 1.428 261 H HN 0.677 nan 8.280 nan 0.000 0.590 262 E N 4.174 124.364 120.200 -0.016 0.000 2.209 262 E HA -0.150 4.200 4.350 0.000 0.000 0.196 262 E C 1.036 177.814 176.600 0.297 0.000 0.993 262 E CA 1.087 57.544 56.400 0.094 0.000 0.819 262 E CB 0.022 29.715 29.700 -0.012 0.000 0.745 262 E HN 0.604 nan 8.360 nan 0.000 0.477 263 L N 0.671 122.177 121.223 0.471 0.000 2.607 263 L HA 0.150 4.491 4.340 0.000 0.000 0.228 263 L C 0.833 177.833 176.870 0.216 0.000 1.123 263 L CA -0.374 54.635 54.840 0.281 0.000 0.890 263 L CB -0.138 42.027 42.059 0.176 0.000 1.103 263 L HN 0.032 nan 8.230 nan 0.000 0.468 264 N N 0.073 118.946 118.700 0.289 0.000 2.739 264 N HA -0.052 4.688 4.740 0.000 0.000 0.266 264 N C 0.498 176.174 175.510 0.277 0.000 1.168 264 N CA 0.051 53.213 53.050 0.186 0.000 1.055 264 N CB 0.119 38.686 38.487 0.133 0.000 1.393 264 N HN 0.035 nan 8.380 nan 0.000 0.514 265 Y N 1.560 121.850 120.300 -0.016 0.000 2.546 265 Y HA 0.220 4.770 4.550 0.000 0.000 0.287 265 Y C 1.857 177.733 175.900 -0.040 0.000 1.158 265 Y CA 0.299 58.373 58.100 -0.042 0.000 1.307 265 Y CB -0.461 37.955 38.460 -0.074 0.000 1.036 265 Y HN 0.574 nan 8.280 nan 0.000 0.532 266 G N -0.114 108.756 108.800 0.117 0.000 2.698 266 G HA2 0.079 4.040 3.960 0.000 0.000 0.225 266 G HA3 0.079 4.040 3.960 0.000 0.000 0.225 266 G C -0.405 174.522 174.900 0.045 0.000 1.345 266 G CA -0.655 44.471 45.100 0.044 0.000 0.871 266 G HN 0.553 nan 8.290 nan 0.000 0.540 267 A N -1.186 121.635 122.820 0.001 0.000 2.269 267 A HA 1.016 5.336 4.320 0.000 0.000 0.319 267 A C 0.570 178.165 177.584 0.020 0.000 1.110 267 A CA 0.354 52.413 52.037 0.036 0.000 0.847 267 A CB 1.339 20.348 19.000 0.014 0.000 1.161 267 A HN 2.411 nan 8.150 nan 0.000 0.497 268 V N -1.458 118.522 119.914 0.110 0.000 2.914 268 V HA 0.939 5.059 4.120 0.000 0.000 0.314 268 V C -0.212 175.973 176.094 0.151 0.000 1.084 268 V CA 0.121 62.491 62.300 0.116 0.000 0.963 268 V CB 1.225 33.196 31.823 0.245 0.000 1.025 268 V HN 1.517 nan 8.190 nan 0.000 0.432 269 T N -0.558 114.049 114.554 0.089 0.000 2.883 269 T HA 0.638 4.988 4.350 0.000 0.000 0.296 269 T C 1.009 175.756 174.700 0.079 0.000 1.117 269 T CA 0.051 62.221 62.100 0.118 0.000 1.006 269 T CB 1.502 70.425 68.868 0.093 0.000 1.191 269 T HN 1.417 nan 8.240 nan 0.000 0.508 270 G N -0.297 108.510 108.800 0.012 0.000 2.509 270 G HA2 -0.041 3.919 3.960 0.000 0.000 0.218 270 G HA3 -0.041 3.919 3.960 0.000 0.000 0.218 270 G C 0.504 175.449 174.900 0.075 0.000 1.124 270 G CA 0.421 45.507 45.100 -0.024 0.000 0.776 270 G HN 0.719 nan 8.290 nan 0.000 0.547 271 Y N -0.536 119.777 120.300 0.022 0.000 2.468 271 Y HA 0.380 4.930 4.550 0.000 0.000 0.268 271 Y C 2.182 178.023 175.900 -0.099 0.000 1.177 271 Y CA -1.112 56.932 58.100 -0.093 0.000 1.265 271 Y CB -0.247 38.027 38.460 -0.311 0.000 1.103 271 Y HN 0.161 nan 8.280 nan 0.000 0.522 272 M N -0.063 119.581 119.600 0.073 0.000 2.080 272 M HA -0.235 4.245 4.480 0.000 0.000 0.260 272 M C 1.231 177.537 176.300 0.009 0.000 1.068 272 M CA 2.032 57.326 55.300 -0.010 0.000 1.109 272 M CB 0.057 32.657 32.600 -0.000 0.000 1.342 272 M HN 0.049 nan 8.290 nan 0.000 0.405 273 D N -0.074 120.360 120.400 0.056 0.000 2.117 273 D HA -0.103 4.537 4.640 0.000 0.000 0.197 273 D C 1.880 178.194 176.300 0.023 0.000 0.987 273 D CA 1.707 55.741 54.000 0.057 0.000 0.829 273 D CB -0.680 40.156 40.800 0.061 0.000 0.961 273 D HN 0.587 nan 8.370 nan 0.000 0.460 274 G N 0.275 109.087 108.800 0.020 0.000 2.403 274 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 274 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 274 G C 1.778 176.668 174.900 -0.017 0.000 1.154 274 G CA 0.074 45.171 45.100 -0.006 0.000 0.784 274 G HN 0.245 nan 8.290 nan 0.000 0.538 275 I N 0.169 120.711 120.570 -0.048 0.000 2.252 275 I HA -0.055 4.115 4.170 0.000 0.000 0.245 275 I C 2.336 178.264 176.117 -0.315 0.000 1.102 275 I CA 0.859 62.101 61.300 -0.097 0.000 1.385 275 I CB -0.019 37.839 38.000 -0.238 0.000 1.064 275 I HN 0.097 nan 8.210 nan 0.000 0.414 276 L N -0.163 120.856 121.223 -0.340 0.000 2.529 276 L HA 0.100 4.440 4.340 0.000 0.000 0.223 276 L C 0.347 177.091 176.870 -0.211 0.000 1.113 276 L CA 0.086 54.612 54.840 -0.522 0.000 0.861 276 L CB -0.304 41.565 42.059 -0.317 0.000 1.012 276 L HN 0.288 nan 8.230 nan 0.000 0.461 277 N N 0.591 119.248 118.700 -0.072 0.000 2.725 277 N HA -0.253 4.487 4.740 0.000 0.000 0.251 277 N C -0.674 174.894 175.510 0.097 0.000 1.031 277 N CA 1.020 54.079 53.050 0.015 0.000 0.720 277 N CB -0.944 37.556 38.487 0.022 0.000 0.930 277 N HN 0.248 nan 8.380 nan 0.000 0.543 278 F N 0.132 120.035 119.950 -0.078 0.000 2.628 278 F HA 0.369 4.896 4.527 0.000 0.000 0.309 278 F C -2.231 173.548 175.800 -0.035 0.000 1.108 278 F CA -1.727 56.238 58.000 -0.058 0.000 0.971 278 F CB 1.907 40.858 39.000 -0.081 0.000 1.279 278 F HN -0.187 nan 8.300 nan 0.000 0.441 279 P HA 0.178 nan 4.420 nan 0.000 0.230 279 P C -0.123 177.228 177.300 0.085 0.000 1.791 279 P CA 0.361 63.370 63.100 -0.151 0.000 1.020 279 P CB 0.403 31.945 31.700 -0.263 0.000 1.977 280 A N 2.577 125.562 122.820 0.275 0.000 1.873 280 A HA -0.107 4.213 4.320 0.000 0.000 0.215 280 A C 2.087 179.778 177.584 0.179 0.000 1.186 280 A CA 1.098 53.312 52.037 0.295 0.000 0.616 280 A CB -1.055 18.061 19.000 0.192 0.000 0.823 280 A HN 0.343 nan 8.150 nan 0.000 0.442 281 L N -0.782 120.544 121.223 0.173 0.000 2.056 281 L HA -0.183 4.157 4.340 0.000 0.000 0.207 281 L C 2.866 179.902 176.870 0.275 0.000 1.078 281 L CA 0.999 55.989 54.840 0.250 0.000 0.749 281 L CB -0.569 41.642 42.059 0.252 0.000 0.901 281 L HN 0.386 nan 8.230 nan 0.000 0.433 282 Q N -0.330 119.576 119.800 0.178 0.000 2.084 282 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 282 Q C 2.255 178.335 176.000 0.134 0.000 0.978 282 Q CA 1.960 57.850 55.803 0.146 0.000 0.844 282 Q CB -0.583 28.198 28.738 0.072 0.000 0.898 282 Q HN 0.483 nan 8.270 nan 0.000 0.426 283 T N 1.410 116.041 114.554 0.129 0.000 2.720 283 T HA -0.184 4.167 4.350 0.000 0.000 0.268 283 T C 1.861 176.656 174.700 0.159 0.000 1.037 283 T CA 1.610 63.798 62.100 0.147 0.000 1.144 283 T CB -0.184 68.812 68.868 0.214 0.000 0.864 283 T HN 0.138 nan 8.240 nan 0.000 0.444 284 M N -0.036 119.612 119.600 0.080 0.000 2.086 284 M HA 0.047 4.527 4.480 0.000 0.000 0.261 284 M C 1.135 177.381 176.300 -0.090 0.000 1.067 284 M CA 1.806 57.064 55.300 -0.069 0.000 1.116 284 M CB -0.184 32.168 32.600 -0.413 0.000 1.348 284 M HN 0.221 nan 8.290 nan 0.000 0.407 285 F N -1.517 118.529 119.950 0.161 0.000 2.653 285 F HA 0.415 4.942 4.527 0.000 0.000 0.288 285 F C 2.137 177.939 175.800 0.003 0.000 1.121 285 F CA 0.338 58.395 58.000 0.095 0.000 1.384 285 F CB -1.114 37.970 39.000 0.140 0.000 1.115 285 F HN 0.118 nan 8.300 nan 0.000 0.599 286 A N 1.368 124.284 122.820 0.160 0.000 1.903 286 A HA -0.173 4.147 4.320 0.000 0.000 0.219 286 A C -0.443 177.146 177.584 0.008 0.000 1.191 286 A CA 2.096 54.182 52.037 0.082 0.000 0.638 286 A CB -2.012 17.026 19.000 0.063 0.000 0.823 286 A HN 0.226 nan 8.150 nan 0.000 0.451 287 P HA 0.160 nan 4.420 nan 0.000 0.245 287 P C 0.000 177.253 177.300 -0.078 0.000 1.206 287 P CA 0.100 63.129 63.100 -0.119 0.000 0.781 287 P CB -0.097 31.463 31.700 -0.233 0.000 0.994 288 V N 3.129 122.969 119.914 -0.123 0.000 2.599 288 V HA -0.024 4.096 4.120 0.000 0.000 0.300 288 V C 1.380 177.525 176.094 0.085 0.000 1.034 288 V CA 1.024 63.337 62.300 0.022 0.000 1.115 288 V CB 0.335 32.226 31.823 0.114 0.000 0.934 288 V HN 0.209 nan 8.190 nan 0.000 0.485 289 D N 2.883 123.341 120.400 0.096 0.000 2.441 289 D HA 0.197 4.837 4.640 0.000 0.000 0.210 289 D C -0.123 176.209 176.300 0.054 0.000 1.102 289 D CA -0.110 53.932 54.000 0.070 0.000 0.840 289 D CB 0.618 41.451 40.800 0.054 0.000 0.990 289 D HN 0.326 nan 8.370 nan 0.000 0.505 290 L N 0.843 122.096 121.223 0.050 0.000 2.516 290 L HA 0.485 4.825 4.340 0.000 0.000 0.267 290 L C -1.851 175.002 176.870 -0.029 0.000 0.957 290 L CA -0.867 53.985 54.840 0.019 0.000 0.860 290 L CB 2.337 44.428 42.059 0.054 0.000 1.265 290 L HN -0.176 nan 8.230 nan 0.000 0.403 291 V N 6.327 126.155 119.914 -0.143 0.000 2.357 291 V HA 0.467 4.587 4.120 0.000 0.000 0.284 291 V C -0.386 175.537 176.094 -0.285 0.000 1.018 291 V CA -0.394 61.726 62.300 -0.299 0.000 0.841 291 V CB 1.484 32.851 31.823 -0.759 0.000 0.991 291 V HN 0.570 nan 8.190 nan 0.000 0.437 292 L N 5.143 126.252 121.223 -0.190 0.000 2.272 292 L HA 0.406 4.746 4.340 0.000 0.000 0.284 292 L C 0.775 177.536 176.870 -0.182 0.000 1.045 292 L CA -0.056 54.683 54.840 -0.168 0.000 0.842 292 L CB 1.517 43.520 42.059 -0.093 0.000 1.224 292 L HN 0.777 nan 8.230 nan 0.000 0.430 293 T N 0.341 114.769 114.554 -0.210 0.000 2.863 293 T HA 0.398 4.748 4.350 0.000 0.000 0.299 293 T C 0.041 174.726 174.700 -0.025 0.000 0.973 293 T CA -0.671 61.373 62.100 -0.093 0.000 0.994 293 T CB 0.208 69.019 68.868 -0.095 0.000 0.961 293 T HN 0.125 nan 8.240 nan 0.000 0.552 294 V N 3.960 123.859 119.914 -0.025 0.000 2.353 294 V HA 0.578 4.698 4.120 0.000 0.000 0.264 294 V C 1.406 177.501 176.094 0.003 0.000 1.049 294 V CA 0.243 62.513 62.300 -0.049 0.000 0.896 294 V CB -0.001 31.817 31.823 -0.009 0.000 1.025 294 V HN 1.288 nan 8.190 nan 0.000 0.475 295 G N 4.112 112.904 108.800 -0.013 0.000 2.212 295 G HA2 -0.309 3.651 3.960 0.000 0.000 0.255 295 G HA3 -0.309 3.651 3.960 0.000 0.000 0.255 295 G C -0.167 174.766 174.900 0.055 0.000 1.062 295 G CA -0.058 45.048 45.100 0.011 0.000 0.815 295 G HN 0.863 nan 8.290 nan 0.000 0.497 296 Y N 1.088 121.389 120.300 0.002 0.000 2.610 296 Y HA 0.449 4.999 4.550 0.000 0.000 0.332 296 Y C 0.183 176.132 175.900 0.081 0.000 1.201 296 Y CA 0.423 58.564 58.100 0.067 0.000 1.465 296 Y CB 0.993 39.547 38.460 0.158 0.000 1.283 296 Y HN 0.211 nan 8.280 nan 0.000 0.563 297 D N 5.003 124.972 120.400 -0.718 0.000 2.616 297 D HA 0.026 4.666 4.640 0.000 0.000 0.238 297 D C -0.008 175.909 176.300 -0.639 0.000 1.354 297 D CA -0.501 53.221 54.000 -0.464 0.000 0.970 297 D CB 0.434 41.107 40.800 -0.213 0.000 1.369 297 D HN 0.588 nan 8.370 nan 0.000 0.585 298 Y N 3.552 123.552 120.300 -0.500 0.000 2.241 298 Y HA -0.184 4.366 4.550 0.000 0.000 0.286 298 Y C 1.936 177.704 175.900 -0.220 0.000 1.166 298 Y CA 2.208 60.163 58.100 -0.243 0.000 1.203 298 Y CB -0.198 38.267 38.460 0.008 0.000 0.977 298 Y HN 0.536 nan 8.280 nan 0.000 0.529 299 A N -0.318 122.409 122.820 -0.154 0.000 2.121 299 A HA -0.144 4.176 4.320 0.000 0.000 0.218 299 A C 1.989 179.419 177.584 -0.256 0.000 1.154 299 A CA 1.427 53.339 52.037 -0.208 0.000 0.679 299 A CB -0.585 18.346 19.000 -0.114 0.000 0.795 299 A HN 0.609 nan 8.150 nan 0.000 0.458 300 E N -1.274 118.760 120.200 -0.277 0.000 2.482 300 E HA -0.055 4.295 4.350 0.000 0.000 0.196 300 E C 0.067 176.400 176.600 -0.444 0.000 1.047 300 E CA 0.378 56.599 56.400 -0.298 0.000 0.869 300 E CB -0.007 29.554 29.700 -0.233 0.000 0.836 300 E HN 0.508 nan 8.360 nan 0.000 0.520 301 D N -0.295 119.844 120.400 -0.434 0.000 3.068 301 D HA -0.190 4.450 4.640 0.000 0.000 0.218 301 D C -0.770 175.302 176.300 -0.380 0.000 1.145 301 D CA 0.368 54.086 54.000 -0.471 0.000 0.896 301 D CB -1.132 39.350 40.800 -0.530 0.000 1.105 301 D HN 0.177 nan 8.370 nan 0.000 0.423 302 L N 1.189 122.268 121.223 -0.240 0.000 2.270 302 L HA 0.373 4.713 4.340 0.000 0.000 0.286 302 L C 0.518 177.435 176.870 0.077 0.000 1.059 302 L CA -0.496 54.316 54.840 -0.047 0.000 0.839 302 L CB 0.147 42.260 42.059 0.091 0.000 1.221 302 L HN -0.053 nan 8.230 nan 0.000 0.431 303 R N 4.719 125.180 120.500 -0.064 0.000 2.500 303 R HA 0.308 4.648 4.340 0.000 0.000 0.277 303 R C -1.681 174.265 176.300 -0.590 0.000 1.026 303 R CA -1.680 54.370 56.100 -0.083 0.000 1.058 303 R CB 0.406 30.665 30.300 -0.069 0.000 1.078 303 R HN 0.367 nan 8.270 nan 0.000 0.509 304 P HA -0.251 nan 4.420 nan 0.000 0.216 304 P C 1.209 177.642 177.300 -1.445 0.000 1.150 304 P CA 1.643 63.565 63.100 -1.963 0.000 0.843 304 P CB 0.103 31.147 31.700 -1.095 0.000 0.787 305 S N -1.271 113.993 115.700 -0.726 0.000 2.420 305 S HA -0.250 4.221 4.470 0.000 0.000 0.237 305 S C 1.924 176.242 174.600 -0.470 0.000 1.023 305 S CA 1.655 59.568 58.200 -0.477 0.000 0.991 305 S CB -1.313 61.727 63.200 -0.267 0.000 0.792 305 S HN 0.011 nan 8.310 nan 0.000 0.488 306 M N 1.758 121.051 119.600 -0.511 0.000 2.117 306 M HA 0.007 4.487 4.480 0.000 0.000 0.262 306 M C 1.703 177.620 176.300 -0.639 0.000 1.065 306 M CA 1.671 56.739 55.300 -0.387 0.000 1.114 306 M CB -0.756 31.709 32.600 -0.224 0.000 1.361 306 M HN 0.733 nan 8.290 nan 0.000 0.408 307 W N -0.163 120.677 121.300 -0.768 0.000 3.077 307 W HA 0.302 4.962 4.660 0.000 0.000 0.266 307 W C 0.186 176.388 176.519 -0.530 0.000 1.300 307 W CA -0.269 56.359 57.345 -1.195 0.000 1.586 307 W CB -1.239 27.696 29.460 -0.874 0.000 1.103 307 W HN 0.166 nan 8.180 nan 0.000 0.652 308 Q N 2.549 122.115 119.800 -0.390 0.000 3.184 308 Q HA 0.121 4.462 4.340 0.000 0.000 0.288 308 Q C -0.325 175.627 176.000 -0.079 0.000 1.412 308 Q CA 0.445 56.153 55.803 -0.159 0.000 0.991 308 Q CB -0.123 28.460 28.738 -0.258 0.000 1.688 308 Q HN -0.006 nan 8.270 nan 0.000 0.554 309 K N 0.208 120.613 120.400 0.009 0.000 2.371 309 K HA 0.621 4.941 4.320 0.000 0.000 0.251 309 K C 0.426 177.080 176.600 0.090 0.000 0.934 309 K CA -0.101 56.222 56.287 0.060 0.000 0.798 309 K CB 2.097 34.678 32.500 0.135 0.000 1.204 309 K HN 0.440 nan 8.250 nan 0.000 0.427 310 G N 2.470 111.308 108.800 0.064 0.000 2.523 310 G HA2 -0.311 3.649 3.960 0.000 0.000 0.271 310 G HA3 -0.311 3.649 3.960 0.000 0.000 0.271 310 G C 0.204 175.134 174.900 0.051 0.000 1.146 310 G CA 0.101 45.235 45.100 0.057 0.000 0.961 310 G HN 0.771 nan 8.290 nan 0.000 0.549 311 I N -0.258 120.345 120.570 0.055 0.000 3.004 311 I HA 0.585 4.755 4.170 0.000 0.000 0.287 311 I C 0.449 176.602 176.117 0.060 0.000 1.144 311 I CA -0.662 60.669 61.300 0.050 0.000 1.353 311 I CB 0.469 38.499 38.000 0.049 0.000 1.417 311 I HN 0.440 nan 8.210 nan 0.000 0.602 312 E N 3.215 123.446 120.200 0.052 0.000 2.392 312 E HA 0.193 4.544 4.350 0.000 0.000 0.264 312 E C -0.847 175.796 176.600 0.071 0.000 1.024 312 E CA 0.150 56.585 56.400 0.059 0.000 0.903 312 E CB 0.788 30.515 29.700 0.045 0.000 0.963 312 E HN 0.485 nan 8.360 nan 0.000 0.432 313 K N 1.975 122.431 120.400 0.093 0.000 2.316 313 K HA 0.325 4.645 4.320 0.000 0.000 0.251 313 K C -0.136 176.510 176.600 0.076 0.000 0.934 313 K CA -0.838 55.502 56.287 0.088 0.000 0.802 313 K CB 1.786 34.354 32.500 0.113 0.000 1.171 313 K HN 0.069 nan 8.250 nan 0.000 0.426 314 K N 1.508 121.936 120.400 0.047 0.000 2.185 314 K HA 0.278 4.598 4.320 0.000 0.000 0.271 314 K C -0.135 176.467 176.600 0.004 0.000 1.013 314 K CA -0.253 56.057 56.287 0.037 0.000 0.943 314 K CB 1.425 33.945 32.500 0.034 0.000 0.998 314 K HN 0.823 nan 8.250 nan 0.000 0.468 315 T N -2.292 112.270 114.554 0.012 0.000 2.893 315 T HA 0.542 4.892 4.350 0.000 0.000 0.291 315 T C -0.443 174.233 174.700 -0.040 0.000 1.028 315 T CA -0.878 61.201 62.100 -0.034 0.000 0.995 315 T CB 1.463 70.398 68.868 0.112 0.000 1.051 315 T HN 0.126 nan 8.240 nan 0.000 0.470 316 V N 2.395 122.255 119.914 -0.091 0.000 2.444 316 V HA 0.570 4.690 4.120 0.000 0.000 0.294 316 V C 0.123 176.123 176.094 -0.158 0.000 1.022 316 V CA -0.974 61.254 62.300 -0.121 0.000 0.850 316 V CB 1.563 33.312 31.823 -0.123 0.000 0.992 316 V HN 0.974 nan 8.190 nan 0.000 0.426 317 R N 4.308 124.696 120.500 -0.187 0.000 2.312 317 R HA 0.730 5.070 4.340 0.000 0.000 0.311 317 R C -1.461 174.688 176.300 -0.252 0.000 1.004 317 R CA -0.480 55.519 56.100 -0.167 0.000 0.902 317 R CB 0.957 31.098 30.300 -0.264 0.000 1.073 317 R HN 0.657 nan 8.270 nan 0.000 0.457 318 I N 2.547 122.956 120.570 -0.268 0.000 2.447 318 I HA 0.338 4.508 4.170 0.000 0.000 0.287 318 I C -0.583 175.423 176.117 -0.184 0.000 1.023 318 I CA -0.144 60.925 61.300 -0.384 0.000 1.083 318 I CB 2.112 39.644 38.000 -0.781 0.000 1.245 318 I HN 0.531 nan 8.210 nan 0.000 0.434 319 S N 6.418 122.027 115.700 -0.152 0.000 2.535 319 S HA 0.540 5.010 4.470 0.000 0.000 0.272 319 S C -2.672 171.868 174.600 -0.100 0.000 1.149 319 S CA -0.990 57.163 58.200 -0.078 0.000 0.888 319 S CB 2.015 65.213 63.200 -0.002 0.000 1.110 319 S HN 0.378 nan 8.310 nan 0.000 0.463 320 P HA 0.183 nan 4.420 nan 0.000 0.258 320 P C -0.085 177.180 177.300 -0.059 0.000 1.559 320 P CA 0.178 63.224 63.100 -0.090 0.000 0.855 320 P CB -0.948 30.709 31.700 -0.072 0.000 1.594 321 T N -4.169 110.357 114.554 -0.047 0.000 2.894 321 T HA 0.392 4.742 4.350 0.000 0.000 0.309 321 T C -0.384 174.300 174.700 -0.026 0.000 1.208 321 T CA -0.743 61.341 62.100 -0.026 0.000 1.016 321 T CB 1.285 70.149 68.868 -0.006 0.000 1.192 321 T HN -0.233 nan 8.240 nan 0.000 0.491 322 V N 2.817 122.719 119.914 -0.021 0.000 2.715 322 V HA 0.237 4.357 4.120 0.000 0.000 0.299 322 V C 1.053 177.137 176.094 -0.016 0.000 1.054 322 V CA -0.654 61.632 62.300 -0.023 0.000 1.077 322 V CB 0.486 32.298 31.823 -0.018 0.000 0.972 322 V HN 1.006 nan 8.190 nan 0.000 0.484 323 N N 6.680 125.361 118.700 -0.032 0.000 2.417 323 N HA 0.028 4.768 4.740 0.000 0.000 0.272 323 N C -0.946 174.555 175.510 -0.015 0.000 1.304 323 N CA -1.242 51.791 53.050 -0.028 0.000 0.906 323 N CB 0.869 39.303 38.487 -0.089 0.000 1.135 323 N HN 0.442 nan 8.380 nan 0.000 0.483 324 P HA 0.017 nan 4.420 nan 0.000 0.231 324 P C 0.338 177.628 177.300 -0.017 0.000 1.168 324 P CA 0.778 63.882 63.100 0.006 0.000 0.779 324 P CB 0.023 31.742 31.700 0.032 0.000 0.844 325 I N -3.676 116.871 120.570 -0.040 0.000 2.998 325 I HA 0.400 4.570 4.170 0.000 0.000 0.338 325 I C -1.901 174.158 176.117 -0.097 0.000 1.413 325 I CA -2.485 58.751 61.300 -0.106 0.000 0.880 325 I CB 1.095 38.928 38.000 -0.278 0.000 2.051 325 I HN -0.320 nan 8.210 nan 0.000 0.561 326 P HA -0.187 nan 4.420 nan 0.000 0.225 326 P C 1.491 178.755 177.300 -0.061 0.000 1.148 326 P CA 1.113 64.170 63.100 -0.071 0.000 0.779 326 P CB 0.111 31.773 31.700 -0.062 0.000 0.780 327 R N 0.140 120.601 120.500 -0.066 0.000 2.120 327 R HA -0.064 4.276 4.340 0.000 0.000 0.234 327 R C 1.612 177.870 176.300 -0.069 0.000 1.123 327 R CA 1.341 57.406 56.100 -0.058 0.000 0.975 327 R CB -0.145 30.123 30.300 -0.053 0.000 0.866 327 R HN 0.076 nan 8.270 nan 0.000 0.446 328 V N -1.356 118.495 119.914 -0.106 0.000 3.013 328 V HA 0.075 4.195 4.120 0.000 0.000 0.238 328 V C -0.289 175.778 176.094 -0.045 0.000 1.161 328 V CA 0.224 62.443 62.300 -0.135 0.000 1.170 328 V CB 0.265 31.883 31.823 -0.342 0.000 0.917 328 V HN 0.166 nan 8.190 nan 0.000 0.478 329 Y N 2.248 122.433 120.300 -0.191 0.000 2.332 329 Y HA 0.572 5.122 4.550 0.000 0.000 0.326 329 Y C -0.160 175.683 175.900 -0.095 0.000 0.978 329 Y CA -1.922 56.093 58.100 -0.141 0.000 1.205 329 Y CB 0.899 39.258 38.460 -0.169 0.000 1.131 329 Y HN 0.036 nan 8.280 nan 0.000 0.462 330 R N 7.570 128.089 120.500 0.031 0.000 2.396 330 R HA 0.313 4.653 4.340 0.000 0.000 0.292 330 R C -2.606 173.599 176.300 -0.158 0.000 1.240 330 R CA -1.666 54.359 56.100 -0.124 0.000 1.270 330 R CB 0.876 31.148 30.300 -0.046 0.000 1.108 330 R HN 0.477 nan 8.270 nan 0.000 0.573 331 P HA 0.011 nan 4.420 nan 0.000 0.269 331 P C -0.019 177.201 177.300 -0.133 0.000 1.215 331 P CA -0.156 62.756 63.100 -0.314 0.000 0.780 331 P CB 1.194 32.553 31.700 -0.569 0.000 0.898 332 D N -0.048 120.323 120.400 -0.049 0.000 2.144 332 D HA -0.022 4.618 4.640 0.000 0.000 0.200 332 D C 0.339 176.616 176.300 -0.039 0.000 0.978 332 D CA 1.434 55.418 54.000 -0.026 0.000 0.833 332 D CB 0.311 41.115 40.800 0.007 0.000 0.961 332 D HN 0.120 nan 8.370 nan 0.000 0.470 333 V N 1.211 121.091 119.914 -0.057 0.000 2.531 333 V HA 0.207 4.327 4.120 0.000 0.000 0.301 333 V C -0.717 175.311 176.094 -0.110 0.000 1.034 333 V CA -0.915 61.354 62.300 -0.051 0.000 0.865 333 V CB 2.359 34.181 31.823 -0.003 0.000 0.995 333 V HN -0.142 nan 8.190 nan 0.000 0.424 334 D N 3.423 123.759 120.400 -0.106 0.000 2.414 334 D HA 0.478 5.118 4.640 0.000 0.000 0.232 334 D C -0.824 175.426 176.300 -0.084 0.000 1.070 334 D CA -0.146 53.770 54.000 -0.140 0.000 0.839 334 D CB 1.945 42.654 40.800 -0.152 0.000 1.079 334 D HN 0.279 nan 8.370 nan 0.000 0.521 335 V N 4.492 124.334 119.914 -0.121 0.000 2.311 335 V HA 0.269 4.389 4.120 0.000 0.000 0.275 335 V C 0.226 176.252 176.094 -0.113 0.000 1.022 335 V CA -0.849 61.412 62.300 -0.065 0.000 0.830 335 V CB 1.424 33.169 31.823 -0.129 0.000 1.012 335 V HN 0.334 nan 8.190 nan 0.000 0.452 336 V N 4.998 124.880 119.914 -0.052 0.000 2.320 336 V HA 0.664 4.784 4.120 0.000 0.000 0.265 336 V C 0.292 176.271 176.094 -0.192 0.000 1.048 336 V CA 0.384 62.624 62.300 -0.100 0.000 0.865 336 V CB 0.838 32.629 31.823 -0.053 0.000 1.043 336 V HN 1.017 nan 8.190 nan 0.000 0.474 337 T N 2.607 116.978 114.554 -0.304 0.000 2.663 337 T HA 0.204 4.554 4.350 0.000 0.000 0.305 337 T C -1.584 172.888 174.700 -0.379 0.000 1.660 337 T CA -0.670 61.109 62.100 -0.535 0.000 0.976 337 T CB 1.628 69.758 68.868 -1.229 0.000 1.705 337 T HN 0.695 nan 8.240 nan 0.000 0.494 338 D N 0.767 120.935 120.400 -0.386 0.000 2.424 338 D HA 0.252 4.892 4.640 0.000 0.000 0.244 338 D C 1.548 177.753 176.300 -0.158 0.000 1.134 338 D CA 0.200 54.071 54.000 -0.215 0.000 0.881 338 D CB 0.902 41.601 40.800 -0.167 0.000 1.191 338 D HN 0.261 nan 8.370 nan 0.000 0.445 339 V N 3.964 123.837 119.914 -0.068 0.000 2.287 339 V HA -0.214 3.906 4.120 0.000 0.000 0.248 339 V C 2.182 178.329 176.094 0.088 0.000 1.053 339 V CA 1.322 63.634 62.300 0.019 0.000 1.027 339 V CB -0.688 31.144 31.823 0.015 0.000 0.646 339 V HN 0.607 nan 8.190 nan 0.000 0.447 340 L N 0.897 122.143 121.223 0.037 0.000 2.017 340 L HA -0.098 4.242 4.340 0.000 0.000 0.208 340 L C 2.486 179.390 176.870 0.057 0.000 1.073 340 L CA 2.371 57.239 54.840 0.047 0.000 0.745 340 L CB -1.083 40.992 42.059 0.028 0.000 0.894 340 L HN 0.235 nan 8.230 nan 0.000 0.432 341 A N -0.895 121.936 122.820 0.018 0.000 1.908 341 A HA -0.294 4.026 4.320 0.000 0.000 0.218 341 A C 2.283 179.955 177.584 0.147 0.000 1.181 341 A CA 1.982 54.047 52.037 0.046 0.000 0.627 341 A CB -1.224 17.711 19.000 -0.109 0.000 0.818 341 A HN 0.584 nan 8.150 nan 0.000 0.445 342 F N 0.917 120.814 119.950 -0.088 0.000 2.075 342 F HA -0.162 4.365 4.527 0.000 0.000 0.297 342 F C 2.160 178.100 175.800 0.233 0.000 1.113 342 F CA 2.143 60.201 58.000 0.097 0.000 1.218 342 F CB -0.561 38.403 39.000 -0.061 0.000 0.984 342 F HN 0.016 nan 8.300 nan 0.000 0.472 343 V N 0.876 120.723 119.914 -0.112 0.000 2.343 343 V HA -0.287 3.833 4.120 0.000 0.000 0.247 343 V C 2.311 178.360 176.094 -0.075 0.000 1.051 343 V CA 2.313 64.503 62.300 -0.183 0.000 1.036 343 V CB -0.833 31.006 31.823 0.027 0.000 0.654 343 V HN 0.395 nan 8.190 nan 0.000 0.451 344 E N -0.495 119.715 120.200 0.017 0.000 2.077 344 E HA -0.275 4.075 4.350 0.000 0.000 0.193 344 E C 2.160 178.787 176.600 0.046 0.000 0.989 344 E CA 1.644 58.067 56.400 0.039 0.000 0.800 344 E CB -0.245 29.499 29.700 0.073 0.000 0.746 344 E HN 0.783 nan 8.360 nan 0.000 0.452 345 H N -0.356 118.740 119.070 0.042 0.000 2.357 345 H HA -0.144 4.412 4.556 0.000 0.000 0.301 345 H C 1.793 177.091 175.328 -0.050 0.000 1.082 345 H CA 1.498 57.571 56.048 0.040 0.000 1.342 345 H CB -0.110 29.768 29.762 0.193 0.000 1.389 345 H HN 0.092 nan 8.280 nan 0.000 0.511 346 F N 1.457 121.247 119.950 -0.265 0.000 2.171 346 F HA -0.132 4.395 4.527 0.000 0.000 0.300 346 F C 2.238 177.835 175.800 -0.338 0.000 1.090 346 F CA 1.343 59.109 58.000 -0.390 0.000 1.293 346 F CB -0.139 38.405 39.000 -0.760 0.000 1.013 346 F HN 0.215 nan 8.300 nan 0.000 0.486 347 E N -0.337 119.737 120.200 -0.211 0.000 2.058 347 E HA -0.190 4.160 4.350 0.000 0.000 0.194 347 E C 2.209 178.622 176.600 -0.312 0.000 0.997 347 E CA 1.991 58.244 56.400 -0.244 0.000 0.801 347 E CB -0.781 28.843 29.700 -0.127 0.000 0.746 347 E HN 0.358 nan 8.360 nan 0.000 0.450 348 T N 1.219 115.596 114.554 -0.296 0.000 2.674 348 T HA -0.127 4.223 4.350 0.000 0.000 0.265 348 T C 1.948 176.413 174.700 -0.391 0.000 1.039 348 T CA 1.672 63.588 62.100 -0.308 0.000 1.150 348 T CB -0.288 68.397 68.868 -0.305 0.000 0.864 348 T HN 0.286 nan 8.240 nan 0.000 0.427 349 A N 1.410 123.931 122.820 -0.498 0.000 2.070 349 A HA -0.062 4.259 4.320 0.000 0.000 0.220 349 A C 2.274 179.417 177.584 -0.735 0.000 1.159 349 A CA 1.862 53.606 52.037 -0.488 0.000 0.656 349 A CB -0.721 18.045 19.000 -0.391 0.000 0.800 349 A HN 0.621 nan 8.150 nan 0.000 0.453 350 T N -4.675 109.292 114.554 -0.978 0.000 3.129 350 T HA 0.565 4.915 4.350 0.000 0.000 0.267 350 T C 1.381 175.554 174.700 -0.878 0.000 1.018 350 T CA 0.693 61.828 62.100 -1.609 0.000 0.903 350 T CB 0.337 68.278 68.868 -1.545 0.000 1.067 350 T HN 0.416 nan 8.240 nan 0.000 0.549 351 A N 2.337 124.861 122.820 -0.493 0.000 1.978 351 A HA -0.018 4.302 4.320 0.000 0.000 0.220 351 A C 2.475 179.985 177.584 -0.122 0.000 1.170 351 A CA 1.793 53.679 52.037 -0.250 0.000 0.636 351 A CB -0.771 18.117 19.000 -0.186 0.000 0.810 351 A HN 0.778 nan 8.150 nan 0.000 0.448 352 S N -1.783 113.890 115.700 -0.046 0.000 2.540 352 S HA 0.345 4.815 4.470 0.000 0.000 0.218 352 S C 0.007 174.742 174.600 0.225 0.000 0.977 352 S CA -0.657 57.590 58.200 0.079 0.000 0.918 352 S CB -0.320 62.928 63.200 0.079 0.000 0.806 352 S HN 0.091 nan 8.310 nan 0.000 0.496 353 F N 3.198 123.099 119.950 -0.082 0.000 2.518 353 F HA 0.555 5.082 4.527 0.000 0.000 0.359 353 F C 1.484 177.256 175.800 -0.048 0.000 1.118 353 F CA -1.049 56.910 58.000 -0.069 0.000 1.287 353 F CB -0.191 38.755 39.000 -0.091 0.000 1.132 353 F HN 0.203 nan 8.300 nan 0.000 0.587 354 G N 1.302 110.168 108.800 0.110 0.000 2.467 354 G HA2 0.467 4.427 3.960 0.000 0.000 0.257 354 G HA3 0.467 4.427 3.960 0.000 0.000 0.257 354 G C -0.324 174.618 174.900 0.070 0.000 1.227 354 G CA -0.349 44.787 45.100 0.059 0.000 0.835 354 G HN 0.929 nan 8.290 nan 0.000 0.556 355 A N 1.885 124.740 122.820 0.057 0.000 2.507 355 A HA 0.420 4.740 4.320 0.000 0.000 0.235 355 A C 0.711 178.327 177.584 0.054 0.000 1.070 355 A CA 0.142 52.215 52.037 0.060 0.000 0.768 355 A CB 0.320 19.349 19.000 0.050 0.000 1.011 355 A HN 0.549 nan 8.150 nan 0.000 0.502 356 K N 1.018 121.458 120.400 0.067 0.000 2.106 356 K HA 0.326 4.646 4.320 0.000 0.000 0.246 356 K C -0.282 176.370 176.600 0.087 0.000 0.987 356 K CA -0.614 55.714 56.287 0.067 0.000 0.904 356 K CB 0.681 33.235 32.500 0.089 0.000 1.071 356 K HN 0.698 nan 8.250 nan 0.000 0.453 357 Q N 1.551 121.410 119.800 0.098 0.000 2.261 357 Q HA 0.243 4.583 4.340 0.000 0.000 0.252 357 Q C -0.156 176.028 176.000 0.307 0.000 0.915 357 Q CA -0.115 55.786 55.803 0.163 0.000 0.915 357 Q CB 1.032 29.864 28.738 0.157 0.000 1.204 357 Q HN 0.296 nan 8.270 nan 0.000 0.421 358 R N 1.735 122.375 120.500 0.233 0.000 2.404 358 R HA 0.195 4.535 4.340 0.000 0.000 0.291 358 R C 0.245 176.592 176.300 0.078 0.000 1.025 358 R CA -0.599 55.613 56.100 0.187 0.000 0.991 358 R CB 0.757 31.119 30.300 0.104 0.000 1.053 358 R HN 0.624 nan 8.270 nan 0.000 0.479 359 H N 0.237 119.153 119.070 -0.257 0.000 2.652 359 H HA 0.067 4.624 4.556 0.000 0.000 0.349 359 H C -0.720 174.563 175.328 -0.076 0.000 1.099 359 H CA -0.604 55.239 56.048 -0.342 0.000 1.417 359 H CB 0.852 30.249 29.762 -0.609 0.000 1.457 359 H HN 0.453 nan 8.280 nan 0.000 0.568 360 D N 2.881 123.251 120.400 -0.050 0.000 2.401 360 D HA 0.021 4.662 4.640 0.000 0.000 0.254 360 D C 1.060 177.299 176.300 -0.102 0.000 1.192 360 D CA -0.186 53.774 54.000 -0.066 0.000 0.885 360 D CB -0.005 40.797 40.800 0.003 0.000 1.147 360 D HN 0.677 nan 8.370 nan 0.000 0.478 361 I N 0.319 120.768 120.570 -0.203 0.000 4.050 361 I HA 0.290 4.461 4.170 0.000 0.000 0.327 361 I C 1.057 177.070 176.117 -0.173 0.000 1.473 361 I CA -0.515 60.660 61.300 -0.209 0.000 1.124 361 I CB 0.507 38.254 38.000 -0.423 0.000 1.129 361 I HN 0.078 nan 8.210 nan 0.000 0.428 362 E N 2.534 122.663 120.200 -0.119 0.000 2.085 362 E HA -0.122 4.228 4.350 0.000 0.000 0.194 362 E C -0.408 176.147 176.600 -0.075 0.000 0.994 362 E CA 1.650 57.992 56.400 -0.096 0.000 0.801 362 E CB -1.532 28.134 29.700 -0.058 0.000 0.743 362 E HN 0.484 nan 8.360 nan 0.000 0.453 363 P HA -0.127 nan 4.420 nan 0.000 0.218 363 P C 1.691 178.894 177.300 -0.162 0.000 1.149 363 P CA 0.720 63.846 63.100 0.043 0.000 0.817 363 P CB -0.040 31.800 31.700 0.234 0.000 0.785 364 L N -0.102 121.005 121.223 -0.192 0.000 2.027 364 L HA -0.080 4.260 4.340 0.000 0.000 0.206 364 L C 2.313 178.952 176.870 -0.385 0.000 1.074 364 L CA 1.805 56.355 54.840 -0.483 0.000 0.745 364 L CB -0.953 40.999 42.059 -0.179 0.000 0.898 364 L HN -0.227 nan 8.230 nan 0.000 0.433 365 R N -0.387 119.965 120.500 -0.247 0.000 2.091 365 R HA -0.157 4.184 4.340 0.000 0.000 0.238 365 R C 2.228 178.429 176.300 -0.165 0.000 1.136 365 R CA 1.390 57.378 56.100 -0.187 0.000 0.959 365 R CB -0.728 29.474 30.300 -0.164 0.000 0.856 365 R HN 0.553 nan 8.270 nan 0.000 0.437 366 A N 1.120 123.839 122.820 -0.168 0.000 1.898 366 A HA -0.189 4.131 4.320 0.000 0.000 0.216 366 A C 2.131 179.620 177.584 -0.158 0.000 1.181 366 A CA 1.442 53.403 52.037 -0.127 0.000 0.620 366 A CB -0.351 18.597 19.000 -0.086 0.000 0.819 366 A HN 0.107 nan 8.150 nan 0.000 0.442 367 R N 0.426 120.749 120.500 -0.295 0.000 2.073 367 R HA -0.021 4.319 4.340 0.000 0.000 0.234 367 R C 1.755 177.931 176.300 -0.207 0.000 1.134 367 R CA 1.905 57.808 56.100 -0.328 0.000 0.952 367 R CB -0.917 28.924 30.300 -0.764 0.000 0.850 367 R HN 0.543 nan 8.270 nan 0.000 0.433 368 I N 0.396 120.838 120.570 -0.212 0.000 2.208 368 I HA -0.277 3.893 4.170 0.000 0.000 0.245 368 I C 2.308 178.382 176.117 -0.071 0.000 1.097 368 I CA 1.526 62.766 61.300 -0.099 0.000 1.363 368 I CB -0.472 37.519 38.000 -0.016 0.000 1.051 368 I HN 0.315 nan 8.210 nan 0.000 0.413 369 A N 0.174 122.952 122.820 -0.070 0.000 1.902 369 A HA -0.265 4.055 4.320 0.000 0.000 0.217 369 A C 2.329 179.891 177.584 -0.037 0.000 1.181 369 A CA 1.931 53.938 52.037 -0.050 0.000 0.623 369 A CB -0.633 18.339 19.000 -0.046 0.000 0.818 369 A HN 0.524 nan 8.150 nan 0.000 0.443 370 E N -1.395 118.788 120.200 -0.027 0.000 2.077 370 E HA -0.202 4.148 4.350 0.000 0.000 0.193 370 E C 1.788 178.404 176.600 0.027 0.000 0.989 370 E CA 1.275 57.675 56.400 -0.000 0.000 0.800 370 E CB -0.285 29.418 29.700 0.004 0.000 0.746 370 E HN 0.526 nan 8.360 nan 0.000 0.452 371 F N 1.424 121.273 119.950 -0.168 0.000 2.069 371 F HA -0.162 4.365 4.527 0.000 0.000 0.298 371 F C 1.974 177.661 175.800 -0.189 0.000 1.113 371 F CA 1.459 59.312 58.000 -0.245 0.000 1.214 371 F CB -0.321 38.462 39.000 -0.361 0.000 0.978 371 F HN 0.021 nan 8.300 nan 0.000 0.474 372 L N -0.448 120.649 121.223 -0.210 0.000 2.201 372 L HA -0.131 4.209 4.340 0.000 0.000 0.212 372 L C 2.391 179.205 176.870 -0.094 0.000 1.105 372 L CA 1.007 55.722 54.840 -0.209 0.000 0.775 372 L CB -0.868 41.089 42.059 -0.169 0.000 0.913 372 L HN 0.235 nan 8.230 nan 0.000 0.440 373 A N -1.458 121.326 122.820 -0.060 0.000 2.251 373 A HA -0.066 4.254 4.320 0.000 0.000 0.209 373 A C 0.606 178.184 177.584 -0.010 0.000 1.187 373 A CA -0.212 51.809 52.037 -0.028 0.000 0.823 373 A CB -0.366 18.623 19.000 -0.019 0.000 0.846 373 A HN 0.282 nan 8.150 nan 0.000 0.486 374 D N 1.242 121.641 120.400 -0.002 0.000 3.167 374 D HA -0.073 4.567 4.640 0.000 0.000 0.232 374 D C -1.363 174.962 176.300 0.041 0.000 1.231 374 D CA -0.475 53.555 54.000 0.051 0.000 0.845 374 D CB 0.822 41.714 40.800 0.154 0.000 1.157 374 D HN 0.244 nan 8.370 nan 0.000 0.576 375 P HA 0.020 nan 4.420 nan 0.000 0.245 375 P C 0.274 177.542 177.300 -0.052 0.000 1.203 375 P CA -0.038 63.053 63.100 -0.016 0.000 0.792 375 P CB 0.194 31.882 31.700 -0.020 0.000 0.997 376 E N 0.719 120.862 120.200 -0.095 0.000 2.452 376 E HA 0.036 4.386 4.350 0.000 0.000 0.261 376 E C -0.501 175.934 176.600 -0.275 0.000 0.987 376 E CA 0.416 56.652 56.400 -0.273 0.000 0.926 376 E CB 0.094 29.465 29.700 -0.550 0.000 0.934 376 E HN -0.085 nan 8.360 nan 0.000 0.452 377 T N 5.112 119.516 114.554 -0.249 0.000 2.832 377 T HA 0.190 4.540 4.350 0.000 0.000 0.313 377 T C -1.007 173.589 174.700 -0.173 0.000 1.035 377 T CA -0.256 61.765 62.100 -0.132 0.000 0.950 377 T CB -0.169 68.656 68.868 -0.071 0.000 0.984 377 T HN 0.279 nan 8.240 nan 0.000 0.486 378 Y N 1.408 121.689 120.300 -0.030 0.000 2.326 378 Y HA 0.162 4.712 4.550 0.000 0.000 0.333 378 Y C 1.780 177.664 175.900 -0.026 0.000 1.240 378 Y CA -0.437 57.650 58.100 -0.023 0.000 1.365 378 Y CB 0.750 39.194 38.460 -0.026 0.000 1.289 378 Y HN 0.646 nan 8.280 nan 0.000 0.548 379 E N 0.405 120.684 120.200 0.132 0.000 2.140 379 E HA -0.100 4.250 4.350 0.000 0.000 0.191 379 E C -0.107 176.522 176.600 0.049 0.000 0.973 379 E CA 1.010 57.446 56.400 0.061 0.000 0.829 379 E CB 0.109 29.833 29.700 0.040 0.000 0.781 379 E HN 0.690 nan 8.360 nan 0.000 0.466 380 D N 0.118 120.555 120.400 0.061 0.000 3.071 380 D HA 0.296 4.936 4.640 0.000 0.000 0.259 380 D C 0.393 176.684 176.300 -0.017 0.000 1.331 380 D CA -0.117 53.892 54.000 0.016 0.000 0.861 380 D CB 0.317 41.123 40.800 0.011 0.000 1.059 380 D HN 0.157 nan 8.370 nan 0.000 0.486 381 G N 0.122 108.916 108.800 -0.011 0.000 2.699 381 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 381 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 381 G C -0.149 174.714 174.900 -0.060 0.000 1.301 381 G CA -0.749 44.320 45.100 -0.051 0.000 0.816 381 G HN 0.245 nan 8.290 nan 0.000 0.595 382 M N 0.570 120.114 119.600 -0.094 0.000 2.167 382 M HA 0.356 4.836 4.480 0.000 0.000 0.300 382 M C 1.069 177.206 176.300 -0.272 0.000 1.171 382 M CA 0.013 55.232 55.300 -0.135 0.000 1.171 382 M CB 0.346 32.867 32.600 -0.132 0.000 1.396 382 M HN 0.496 nan 8.290 nan 0.000 0.466 383 R N 0.509 120.760 120.500 -0.415 0.000 2.540 383 R HA 0.315 4.655 4.340 0.000 0.000 0.287 383 R C 0.843 176.829 176.300 -0.523 0.000 0.980 383 R CA -0.442 55.352 56.100 -0.511 0.000 0.966 383 R CB 0.959 30.812 30.300 -0.745 0.000 1.106 383 R HN 0.564 nan 8.270 nan 0.000 0.480 384 V N 2.865 122.520 119.914 -0.431 0.000 2.407 384 V HA -0.259 3.861 4.120 0.000 0.000 0.248 384 V C 2.324 178.206 176.094 -0.353 0.000 1.055 384 V CA 2.039 64.065 62.300 -0.457 0.000 1.049 384 V CB -0.963 30.424 31.823 -0.727 0.000 0.662 384 V HN 0.765 nan 8.190 nan 0.000 0.455 385 H N 0.848 119.774 119.070 -0.240 0.000 2.387 385 H HA -0.214 4.342 4.556 0.000 0.000 0.299 385 H C 2.013 177.235 175.328 -0.178 0.000 1.099 385 H CA 1.853 57.833 56.048 -0.113 0.000 1.315 385 H CB -0.551 28.882 29.762 -0.549 0.000 1.380 385 H HN 0.504 nan 8.280 nan 0.000 0.513 386 Q N 0.755 120.257 119.800 -0.498 0.000 2.119 386 Q HA -0.034 4.306 4.340 0.000 0.000 0.201 386 Q C 2.794 178.711 176.000 -0.138 0.000 0.972 386 Q CA 1.356 57.000 55.803 -0.265 0.000 0.847 386 Q CB 0.160 28.731 28.738 -0.277 0.000 0.903 386 Q HN 0.286 nan 8.270 nan 0.000 0.433 387 V N 1.114 120.940 119.914 -0.147 0.000 2.307 387 V HA -0.242 3.878 4.120 0.000 0.000 0.245 387 V C 2.182 178.280 176.094 0.007 0.000 1.045 387 V CA 1.298 63.553 62.300 -0.075 0.000 1.024 387 V CB -0.430 31.336 31.823 -0.095 0.000 0.651 387 V HN 0.367 nan 8.190 nan 0.000 0.449 388 I N 0.593 121.198 120.570 0.058 0.000 2.226 388 I HA -0.229 3.941 4.170 0.000 0.000 0.245 388 I C 2.387 178.574 176.117 0.117 0.000 1.100 388 I CA 2.182 63.569 61.300 0.146 0.000 1.374 388 I CB -1.188 36.969 38.000 0.262 0.000 1.057 388 I HN 0.446 nan 8.210 nan 0.000 0.413 389 D N 0.830 121.267 120.400 0.062 0.000 2.123 389 D HA -0.160 4.480 4.640 0.000 0.000 0.196 389 D C 2.227 178.556 176.300 0.049 0.000 0.992 389 D CA 1.664 55.687 54.000 0.039 0.000 0.833 389 D CB 0.259 41.052 40.800 -0.012 0.000 0.954 389 D HN 0.135 nan 8.370 nan 0.000 0.455 390 S N -0.645 115.076 115.700 0.035 0.000 2.368 390 S HA -0.146 4.324 4.470 0.000 0.000 0.225 390 S C 2.043 176.701 174.600 0.098 0.000 1.030 390 S CA 1.037 59.263 58.200 0.043 0.000 0.999 390 S CB -0.266 62.939 63.200 0.010 0.000 0.844 390 S HN 0.348 nan 8.310 nan 0.000 0.459 391 M N 1.564 121.241 119.600 0.129 0.000 2.117 391 M HA -0.115 4.365 4.480 0.000 0.000 0.262 391 M C 1.823 178.290 176.300 0.278 0.000 1.065 391 M CA 1.095 56.547 55.300 0.254 0.000 1.114 391 M CB -0.616 32.147 32.600 0.271 0.000 1.361 391 M HN 0.194 nan 8.290 nan 0.000 0.408 392 N N 0.045 118.852 118.700 0.177 0.000 2.104 392 N HA -0.120 4.620 4.740 0.000 0.000 0.190 392 N C 1.679 177.250 175.510 0.103 0.000 1.024 392 N CA 1.831 54.957 53.050 0.127 0.000 0.853 392 N CB -0.800 37.748 38.487 0.100 0.000 1.008 392 N HN 0.317 nan 8.380 nan 0.000 0.424 393 T N 0.900 115.514 114.554 0.100 0.000 2.643 393 T HA -0.060 4.290 4.350 0.000 0.000 0.264 393 T C 2.105 176.865 174.700 0.101 0.000 1.045 393 T CA 1.284 63.432 62.100 0.080 0.000 1.155 393 T CB -0.394 68.511 68.868 0.062 0.000 0.863 393 T HN -0.009 nan 8.240 nan 0.000 0.420 394 V N 1.304 121.316 119.914 0.162 0.000 2.515 394 V HA -0.113 4.007 4.120 0.000 0.000 0.250 394 V C 2.393 178.610 176.094 0.206 0.000 1.058 394 V CA 1.414 63.842 62.300 0.213 0.000 1.064 394 V CB -0.649 31.336 31.823 0.270 0.000 0.675 394 V HN 0.365 nan 8.190 nan 0.000 0.461 395 M N 0.744 120.433 119.600 0.149 0.000 2.117 395 M HA -0.168 4.312 4.480 0.000 0.000 0.262 395 M C 2.052 178.304 176.300 -0.081 0.000 1.065 395 M CA 1.950 57.143 55.300 -0.177 0.000 1.114 395 M CB -0.718 31.730 32.600 -0.254 0.000 1.361 395 M HN 0.423 nan 8.290 nan 0.000 0.408 396 E N -0.369 119.828 120.200 -0.006 0.000 2.077 396 E HA -0.241 4.109 4.350 0.000 0.000 0.193 396 E C 1.787 178.391 176.600 0.006 0.000 0.989 396 E CA 1.715 58.116 56.400 0.002 0.000 0.800 396 E CB -0.105 29.608 29.700 0.021 0.000 0.746 396 E HN 0.703 nan 8.360 nan 0.000 0.452 397 E N 0.019 120.234 120.200 0.025 0.000 2.031 397 E HA -0.177 4.173 4.350 0.000 0.000 0.193 397 E C 2.026 178.639 176.600 0.021 0.000 0.994 397 E CA 1.054 57.471 56.400 0.029 0.000 0.800 397 E CB -0.132 29.596 29.700 0.047 0.000 0.752 397 E HN 0.334 nan 8.360 nan 0.000 0.447 398 A N 1.303 124.135 122.820 0.021 0.000 1.929 398 A HA 0.171 4.491 4.320 0.000 0.000 0.216 398 A C 1.378 178.949 177.584 -0.022 0.000 1.176 398 A CA 0.867 52.911 52.037 0.012 0.000 0.628 398 A CB -0.155 18.871 19.000 0.043 0.000 0.816 398 A HN 0.237 nan 8.150 nan 0.000 0.444 399 A N 0.555 123.343 122.820 -0.053 0.000 2.316 399 A HA 0.526 4.846 4.320 0.000 0.000 0.284 399 A C -0.062 177.509 177.584 -0.022 0.000 1.115 399 A CA -0.608 51.399 52.037 -0.051 0.000 0.812 399 A CB 0.275 19.226 19.000 -0.082 0.000 1.064 399 A HN 0.347 nan 8.150 nan 0.000 0.489 400 E N 1.206 121.398 120.200 -0.013 0.000 2.404 400 E HA 0.199 4.549 4.350 0.000 0.000 0.261 400 E C -2.283 174.316 176.600 -0.002 0.000 1.074 400 E CA -1.545 54.853 56.400 -0.003 0.000 0.917 400 E CB -0.328 29.373 29.700 0.001 0.000 0.965 400 E HN 0.346 nan 8.360 nan 0.000 0.433 401 P HA -0.021 nan 4.420 nan 0.000 0.265 401 P C 0.611 177.916 177.300 0.009 0.000 1.187 401 P CA 1.013 64.117 63.100 0.008 0.000 0.766 401 P CB 0.300 32.007 31.700 0.011 0.000 0.820 402 G N 1.046 109.853 108.800 0.012 0.000 2.166 402 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 402 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 402 G C 0.032 174.939 174.900 0.012 0.000 0.986 402 G CA 0.118 45.227 45.100 0.013 0.000 0.683 402 G HN 0.585 nan 8.290 nan 0.000 0.527 403 E N -1.109 119.094 120.200 0.004 0.000 2.404 403 E HA 0.655 5.005 4.350 0.000 0.000 0.264 403 E C 0.422 177.011 176.600 -0.017 0.000 0.946 403 E CA -0.535 55.865 56.400 0.000 0.000 0.806 403 E CB 1.895 31.594 29.700 -0.002 0.000 1.334 403 E HN 1.514 nan 8.360 nan 0.000 0.429 404 G N 0.166 108.950 108.800 -0.026 0.000 2.675 404 G HA2 -0.092 3.869 3.960 0.000 0.000 0.686 404 G HA3 -0.092 3.869 3.960 0.000 0.000 0.686 404 G C -0.838 174.045 174.900 -0.028 0.000 1.215 404 G CA -0.644 44.416 45.100 -0.067 0.000 0.777 404 G HN 0.387 nan 8.290 nan 0.000 0.638 405 T N 1.329 115.858 114.554 -0.042 0.000 2.879 405 T HA 0.633 4.983 4.350 0.000 0.000 0.290 405 T C 0.229 174.951 174.700 0.037 0.000 0.993 405 T CA -0.452 61.661 62.100 0.023 0.000 0.975 405 T CB 1.436 70.325 68.868 0.036 0.000 0.981 405 T HN 0.666 nan 8.240 nan 0.000 0.439 406 I N 2.949 123.593 120.570 0.124 0.000 2.339 406 I HA 0.463 4.633 4.170 0.000 0.000 0.290 406 I C -0.367 175.826 176.117 0.127 0.000 0.994 406 I CA -1.010 60.422 61.300 0.219 0.000 1.191 406 I CB 1.564 39.779 38.000 0.357 0.000 1.343 406 I HN 0.273 nan 8.210 nan 0.000 0.458 407 V N 4.927 124.904 119.914 0.106 0.000 2.483 407 V HA 0.396 4.516 4.120 0.000 0.000 0.295 407 V C 0.054 176.208 176.094 0.100 0.000 1.035 407 V CA -0.415 61.884 62.300 -0.002 0.000 0.896 407 V CB 1.730 33.575 31.823 0.037 0.000 0.986 407 V HN 0.764 nan 8.190 nan 0.000 0.447 408 S N 2.677 118.390 115.700 0.023 0.000 2.502 408 S HA 0.376 4.846 4.470 0.000 0.000 0.304 408 S C -0.452 174.325 174.600 0.295 0.000 1.097 408 S CA -0.666 57.688 58.200 0.255 0.000 1.045 408 S CB 1.331 64.720 63.200 0.316 0.000 1.019 408 S HN 0.884 nan 8.310 nan 0.000 0.481 409 D N 2.101 122.782 120.400 0.470 0.000 2.376 409 D HA 0.260 4.900 4.640 0.000 0.000 0.268 409 D C -0.094 176.397 176.300 0.318 0.000 1.252 409 D CA -0.164 54.133 54.000 0.496 0.000 1.041 409 D CB 0.475 41.619 40.800 0.573 0.000 1.109 409 D HN 0.435 nan 8.370 nan 0.000 0.552 410 I N -0.419 120.349 120.570 0.331 0.000 2.441 410 I HA 0.625 4.796 4.170 0.000 0.000 0.295 410 I C 0.983 177.209 176.117 0.181 0.000 0.994 410 I CA -0.334 61.032 61.300 0.110 0.000 1.144 410 I CB 0.429 38.527 38.000 0.163 0.000 1.314 410 I HN 0.579 nan 8.210 nan 0.000 0.445 411 G N 3.955 112.721 108.800 -0.056 0.000 2.341 411 G HA2 0.061 4.021 3.960 0.000 0.000 0.293 411 G HA3 0.061 4.021 3.960 0.000 0.000 0.293 411 G C -0.322 174.637 174.900 0.099 0.000 1.298 411 G CA -0.651 44.561 45.100 0.186 0.000 0.868 411 G HN 0.355 nan 8.290 nan 0.000 0.540 412 F N 0.886 120.938 119.950 0.170 0.000 2.161 412 F HA 0.008 4.535 4.527 0.000 0.000 0.300 412 F C 2.484 178.390 175.800 0.176 0.000 1.089 412 F CA 2.580 60.644 58.000 0.108 0.000 1.282 412 F CB -0.409 38.459 39.000 -0.220 0.000 1.010 412 F HN 0.462 nan 8.300 nan 0.000 0.485 413 F N 0.182 120.193 119.950 0.102 0.000 2.333 413 F HA -0.054 4.473 4.527 0.000 0.000 0.300 413 F C 2.295 178.211 175.800 0.193 0.000 1.083 413 F CA 1.270 59.336 58.000 0.109 0.000 1.395 413 F CB -1.227 37.870 39.000 0.163 0.000 1.056 413 F HN -0.099 nan 8.300 nan 0.000 0.529 414 R N 0.689 120.698 120.500 -0.818 0.000 2.115 414 R HA -0.164 4.176 4.340 0.000 0.000 0.230 414 R C 2.098 178.200 176.300 -0.330 0.000 1.111 414 R CA 1.691 57.433 56.100 -0.597 0.000 0.976 414 R CB -1.010 28.897 30.300 -0.655 0.000 0.870 414 R HN 0.498 nan 8.270 nan 0.000 0.445 415 H N -0.883 117.987 119.070 -0.334 0.000 2.387 415 H HA -0.182 4.374 4.556 0.000 0.000 0.299 415 H C 1.712 176.774 175.328 -0.444 0.000 1.099 415 H CA 1.924 57.726 56.048 -0.409 0.000 1.315 415 H CB -0.172 29.337 29.762 -0.421 0.000 1.380 415 H HN 0.280 nan 8.280 nan 0.000 0.513 416 Y N 0.314 120.522 120.300 -0.154 0.000 2.200 416 Y HA -0.097 4.454 4.550 0.000 0.000 0.290 416 Y C 2.911 178.767 175.900 -0.073 0.000 1.137 416 Y CA 0.957 59.056 58.100 -0.002 0.000 1.163 416 Y CB -0.646 37.956 38.460 0.237 0.000 0.988 416 Y HN 0.182 nan 8.280 nan 0.000 0.518 417 G N -0.276 108.580 108.800 0.093 0.000 2.446 417 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 417 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 417 G C 1.825 176.306 174.900 -0.699 0.000 1.168 417 G CA 1.546 46.595 45.100 -0.085 0.000 0.771 417 G HN 0.270 nan 8.290 nan 0.000 0.551 418 V N 0.873 120.416 119.914 -0.619 0.000 2.287 418 V HA -0.138 3.982 4.120 0.000 0.000 0.248 418 V C 2.916 178.631 176.094 -0.630 0.000 1.053 418 V CA 1.691 63.550 62.300 -0.736 0.000 1.027 418 V CB -0.402 30.949 31.823 -0.787 0.000 0.646 418 V HN 0.345 nan 8.190 nan 0.000 0.447 419 L N -1.835 118.969 121.223 -0.700 0.000 2.179 419 L HA -0.016 4.324 4.340 0.000 0.000 0.208 419 L C 1.973 178.436 176.870 -0.679 0.000 1.096 419 L CA 1.361 55.683 54.840 -0.863 0.000 0.779 419 L CB -0.239 40.936 42.059 -1.474 0.000 0.922 419 L HN 0.318 nan 8.230 nan 0.000 0.443 420 F N -0.915 118.956 119.950 -0.132 0.000 2.789 420 F HA 0.380 4.907 4.527 0.000 0.000 0.320 420 F C 1.257 177.014 175.800 -0.072 0.000 1.079 420 F CA -0.953 57.019 58.000 -0.048 0.000 1.205 420 F CB -0.577 38.466 39.000 0.071 0.000 1.046 420 F HN -0.225 nan 8.300 nan 0.000 0.586 421 A N 1.841 124.629 122.820 -0.054 0.000 2.462 421 A HA 0.300 4.620 4.320 0.000 0.000 0.243 421 A C 0.727 178.289 177.584 -0.037 0.000 1.076 421 A CA -0.379 51.628 52.037 -0.049 0.000 0.773 421 A CB 0.052 18.953 19.000 -0.164 0.000 1.010 421 A HN 0.329 nan 8.150 nan 0.000 0.493 422 R N 1.467 122.003 120.500 0.060 0.000 2.489 422 R HA 0.390 4.730 4.340 0.000 0.000 0.287 422 R C -0.403 175.948 176.300 0.085 0.000 1.053 422 R CA 0.699 56.836 56.100 0.062 0.000 1.036 422 R CB 0.215 30.553 30.300 0.064 0.000 0.966 422 R HN 0.860 nan 8.270 nan 0.000 0.432 423 A N 4.192 127.054 122.820 0.069 0.000 2.499 423 A HA 0.193 4.513 4.320 0.000 0.000 0.280 423 A C -0.881 176.735 177.584 0.054 0.000 1.135 423 A CA -0.721 51.372 52.037 0.092 0.000 0.744 423 A CB 1.439 20.515 19.000 0.127 0.000 1.213 423 A HN 0.840 nan 8.150 nan 0.000 0.434 424 D N 1.469 121.895 120.400 0.044 0.000 2.402 424 D HA 0.182 4.822 4.640 0.000 0.000 0.216 424 D C 0.375 176.686 176.300 0.019 0.000 1.128 424 D CA 0.717 54.735 54.000 0.029 0.000 0.833 424 D CB 0.229 41.044 40.800 0.024 0.000 0.971 424 D HN 0.750 nan 8.370 nan 0.000 0.503 425 Q N -1.696 118.114 119.800 0.016 0.000 2.578 425 Q HA 0.477 4.817 4.340 0.000 0.000 0.284 425 Q C -3.042 172.935 176.000 -0.037 0.000 0.960 425 Q CA -2.074 53.727 55.803 -0.004 0.000 0.809 425 Q CB 1.202 29.949 28.738 0.014 0.000 1.462 425 Q HN -0.267 nan 8.270 nan 0.000 0.392 426 P HA -0.006 nan 4.420 nan 0.000 0.264 426 P C -0.855 176.305 177.300 -0.233 0.000 1.183 426 P CA 0.550 63.460 63.100 -0.317 0.000 0.763 426 P CB -0.075 31.378 31.700 -0.412 0.000 0.807 427 F N 0.713 120.695 119.950 0.052 0.000 3.057 427 F HA -0.200 4.327 4.527 0.000 0.000 0.287 427 F C 1.668 177.498 175.800 0.050 0.000 0.834 427 F CA 1.099 59.126 58.000 0.046 0.000 1.147 427 F CB -2.619 36.395 39.000 0.023 0.000 1.245 427 F HN 0.473 nan 8.300 nan 0.000 0.509 428 G N -1.023 107.879 108.800 0.169 0.000 2.448 428 G HA2 0.038 3.998 3.960 0.000 0.000 0.218 428 G HA3 0.038 3.998 3.960 0.000 0.000 0.218 428 G C 0.201 175.232 174.900 0.218 0.000 1.135 428 G CA 0.796 45.986 45.100 0.149 0.000 0.784 428 G HN 0.373 nan 8.290 nan 0.000 0.543 429 F N 0.909 120.919 119.950 0.099 0.000 2.493 429 F HA 0.681 5.208 4.527 0.000 0.000 0.329 429 F C -0.944 174.943 175.800 0.145 0.000 1.126 429 F CA -1.629 56.434 58.000 0.105 0.000 0.937 429 F CB 1.363 40.407 39.000 0.074 0.000 1.146 429 F HN -0.216 nan 8.300 nan 0.000 0.442 430 L N 5.996 126.835 121.223 -0.640 0.000 2.346 430 L HA 0.729 5.069 4.340 0.000 0.000 0.276 430 L C -0.121 176.382 176.870 -0.613 0.000 1.006 430 L CA -0.573 54.020 54.840 -0.411 0.000 0.817 430 L CB 1.973 43.966 42.059 -0.109 0.000 1.272 430 L HN 0.751 nan 8.230 nan 0.000 0.421 431 T N 0.089 114.467 114.554 -0.293 0.000 2.711 431 T HA 0.281 4.632 4.350 0.000 0.000 0.302 431 T C -1.399 173.093 174.700 -0.348 0.000 1.373 431 T CA -0.360 61.614 62.100 -0.211 0.000 1.000 431 T CB 2.086 70.835 68.868 -0.198 0.000 1.483 431 T HN 0.448 nan 8.240 nan 0.000 0.499 432 S N 0.792 116.089 115.700 -0.672 0.000 2.474 432 S HA 0.621 5.091 4.470 0.000 0.000 0.320 432 S C 0.920 175.381 174.600 -0.232 0.000 1.067 432 S CA 0.028 57.852 58.200 -0.627 0.000 1.127 432 S CB 0.239 62.831 63.200 -1.012 0.000 0.971 432 S HN 0.810 nan 8.310 nan 0.000 0.472 433 A N 4.408 127.156 122.820 -0.120 0.000 1.984 433 A HA 0.310 4.630 4.320 0.000 0.000 0.214 433 A C 1.869 179.344 177.584 -0.182 0.000 1.173 433 A CA 1.063 53.036 52.037 -0.108 0.000 0.673 433 A CB -0.854 18.048 19.000 -0.163 0.000 0.830 433 A HN 0.835 nan 8.150 nan 0.000 0.453 434 G N -1.399 107.306 108.800 -0.157 0.000 2.439 434 G HA2 -0.127 3.834 3.960 0.000 0.000 0.212 434 G HA3 -0.127 3.834 3.960 0.000 0.000 0.212 434 G C 1.705 176.532 174.900 -0.122 0.000 1.199 434 G CA 1.118 46.130 45.100 -0.147 0.000 0.807 434 G HN 0.509 nan 8.290 nan 0.000 0.537 435 C N 0.277 119.519 119.300 -0.097 0.000 2.519 435 C HA 0.325 4.785 4.460 0.000 0.000 0.281 435 C C 1.792 176.740 174.990 -0.070 0.000 1.331 435 C CA 1.153 60.134 59.018 -0.063 0.000 1.725 435 C CB -0.702 27.035 27.740 -0.005 0.000 2.079 435 C HN 0.497 nan 8.230 nan 0.000 0.496 436 S N 1.403 117.041 115.700 -0.104 0.000 3.559 436 S HA -0.174 4.296 4.470 0.000 0.000 0.369 436 S C 0.135 174.726 174.600 -0.015 0.000 0.987 436 S CA 0.692 58.839 58.200 -0.089 0.000 1.187 436 S CB -1.766 61.391 63.200 -0.071 0.000 0.914 436 S HN 0.880 nan 8.310 nan 0.000 0.480 437 S N 2.184 117.922 115.700 0.064 0.000 2.510 437 S HA 0.496 4.966 4.470 0.000 0.000 0.279 437 S C 0.649 175.435 174.600 0.309 0.000 1.284 437 S CA -0.814 57.462 58.200 0.127 0.000 1.059 437 S CB -0.035 63.273 63.200 0.181 0.000 0.901 437 S HN 0.517 nan 8.310 nan 0.000 0.491 438 F N 3.673 123.668 119.950 0.075 0.000 2.539 438 F HA 0.513 5.040 4.527 0.000 0.000 0.340 438 F C 1.309 177.191 175.800 0.135 0.000 1.185 438 F CA -0.818 57.266 58.000 0.140 0.000 1.333 438 F CB -1.211 37.876 39.000 0.144 0.000 1.152 438 F HN 0.858 nan 8.300 nan 0.000 0.602 439 G N 1.742 110.716 108.800 0.291 0.000 2.179 439 G HA2 -0.410 3.550 3.960 0.000 0.000 0.260 439 G HA3 -0.410 3.550 3.960 0.000 0.000 0.260 439 G C 0.740 175.926 174.900 0.475 0.000 0.977 439 G CA 0.471 45.701 45.100 0.217 0.000 0.641 439 G HN 1.060 nan 8.290 nan 0.000 0.533 440 Y N 1.708 122.248 120.300 0.400 0.000 2.333 440 Y HA 0.100 4.650 4.550 0.000 0.000 0.290 440 Y C 2.489 178.447 175.900 0.097 0.000 1.144 440 Y CA 2.377 60.629 58.100 0.252 0.000 1.228 440 Y CB -0.423 38.171 38.460 0.222 0.000 0.985 440 Y HN 0.245 nan 8.280 nan 0.000 0.542 441 G N 0.914 109.856 108.800 0.238 0.000 2.480 441 G HA2 -0.293 3.667 3.960 0.000 0.000 0.216 441 G HA3 -0.293 3.667 3.960 0.000 0.000 0.216 441 G C 1.718 176.617 174.900 -0.002 0.000 1.200 441 G CA 1.481 46.669 45.100 0.147 0.000 0.782 441 G HN 0.481 nan 8.290 nan 0.000 0.554 442 I N 2.002 122.583 120.570 0.017 0.000 2.091 442 I HA -0.157 4.013 4.170 0.000 0.000 0.239 442 I C 0.177 176.210 176.117 -0.141 0.000 1.061 442 I CA 1.657 62.941 61.300 -0.028 0.000 1.317 442 I CB -1.008 36.963 38.000 -0.048 0.000 1.031 442 I HN 0.212 nan 8.210 nan 0.000 0.401 443 P HA -0.164 nan 4.420 nan 0.000 0.218 443 P C 1.345 178.389 177.300 -0.427 0.000 1.149 443 P CA 1.991 64.875 63.100 -0.360 0.000 0.817 443 P CB -0.062 31.333 31.700 -0.507 0.000 0.785 444 A N 0.612 123.105 122.820 -0.544 0.000 1.933 444 A HA -0.035 4.285 4.320 0.000 0.000 0.218 444 A C 2.487 179.915 177.584 -0.259 0.000 1.175 444 A CA 2.090 53.809 52.037 -0.528 0.000 0.628 444 A CB -1.475 17.055 19.000 -0.782 0.000 0.814 444 A HN 0.235 nan 8.150 nan 0.000 0.444 445 A N -0.156 122.565 122.820 -0.164 0.000 1.930 445 A HA -0.006 4.315 4.320 0.000 0.000 0.217 445 A C 2.093 179.645 177.584 -0.053 0.000 1.175 445 A CA 1.305 53.307 52.037 -0.058 0.000 0.627 445 A CB -0.553 18.453 19.000 0.011 0.000 0.815 445 A HN 0.483 nan 8.150 nan 0.000 0.443 446 I N -0.208 120.311 120.570 -0.085 0.000 2.127 446 I HA -0.253 3.917 4.170 0.000 0.000 0.241 446 I C 2.740 178.816 176.117 -0.069 0.000 1.075 446 I CA 1.343 62.607 61.300 -0.059 0.000 1.334 446 I CB -0.672 37.283 38.000 -0.075 0.000 1.040 446 I HN 0.401 nan 8.210 nan 0.000 0.405 447 G N 0.270 108.968 108.800 -0.169 0.000 2.440 447 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 447 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 447 G C 1.847 176.695 174.900 -0.088 0.000 1.154 447 G CA 0.881 45.880 45.100 -0.169 0.000 0.767 447 G HN 0.509 nan 8.290 nan 0.000 0.552 448 A N 0.164 122.933 122.820 -0.086 0.000 1.877 448 A HA -0.115 4.205 4.320 0.000 0.000 0.216 448 A C 2.333 179.915 177.584 -0.004 0.000 1.186 448 A CA 2.312 54.325 52.037 -0.039 0.000 0.620 448 A CB -0.497 18.486 19.000 -0.029 0.000 0.822 448 A HN 0.410 nan 8.150 nan 0.000 0.443 449 Q N -0.611 119.193 119.800 0.005 0.000 2.119 449 Q HA -0.017 4.323 4.340 0.000 0.000 0.201 449 Q C 1.985 178.003 176.000 0.029 0.000 0.972 449 Q CA 1.846 57.665 55.803 0.026 0.000 0.847 449 Q CB -0.379 28.382 28.738 0.038 0.000 0.903 449 Q HN 0.702 nan 8.270 nan 0.000 0.433 450 M N -1.056 118.563 119.600 0.032 0.000 2.229 450 M HA -0.061 4.419 4.480 0.000 0.000 0.264 450 M C 2.047 178.370 176.300 0.038 0.000 1.063 450 M CA 1.328 56.657 55.300 0.047 0.000 1.114 450 M CB -0.215 32.442 32.600 0.095 0.000 1.387 450 M HN 0.304 nan 8.290 nan 0.000 0.420 451 A N 0.440 123.275 122.820 0.026 0.000 1.968 451 A HA -0.026 4.294 4.320 0.000 0.000 0.217 451 A C 1.300 178.899 177.584 0.025 0.000 1.169 451 A CA 1.069 53.119 52.037 0.021 0.000 0.638 451 A CB -0.121 18.881 19.000 0.004 0.000 0.812 451 A HN 0.430 nan 8.150 nan 0.000 0.446 452 R N -0.543 119.972 120.500 0.025 0.000 2.748 452 R HA 0.200 4.540 4.340 0.000 0.000 0.283 452 R C -2.213 174.102 176.300 0.024 0.000 1.507 452 R CA -1.426 54.689 56.100 0.026 0.000 1.666 452 R CB 0.986 31.303 30.300 0.027 0.000 1.237 452 R HN 0.277 nan 8.270 nan 0.000 0.633 453 P HA -0.133 nan 4.420 nan 0.000 0.222 453 P C -0.089 177.225 177.300 0.024 0.000 1.147 453 P CA 1.178 64.293 63.100 0.025 0.000 0.790 453 P CB 0.402 32.115 31.700 0.021 0.000 0.780 454 D N -0.875 119.537 120.400 0.020 0.000 2.368 454 D HA 0.098 4.738 4.640 0.000 0.000 0.218 454 D C 0.626 176.935 176.300 0.015 0.000 1.112 454 D CA 0.263 54.274 54.000 0.018 0.000 0.834 454 D CB 0.429 41.238 40.800 0.015 0.000 0.953 454 D HN 0.368 nan 8.370 nan 0.000 0.505 455 Q N 0.832 120.641 119.800 0.014 0.000 2.306 455 Q HA 0.425 4.765 4.340 0.000 0.000 0.265 455 Q C -2.567 173.432 176.000 -0.001 0.000 1.022 455 Q CA -2.021 53.782 55.803 0.001 0.000 0.853 455 Q CB 2.066 30.804 28.738 -0.001 0.000 1.327 455 Q HN -0.124 nan 8.270 nan 0.000 0.449 456 P HA 0.085 nan 4.420 nan 0.000 0.271 456 P C -1.045 176.216 177.300 -0.065 0.000 1.216 456 P CA -0.089 62.983 63.100 -0.045 0.000 0.776 456 P CB 0.693 32.283 31.700 -0.183 0.000 0.881 457 T N 3.461 118.061 114.554 0.076 0.000 2.906 457 T HA 0.494 4.845 4.350 0.000 0.000 0.302 457 T C -0.833 174.101 174.700 0.391 0.000 1.002 457 T CA -0.162 62.014 62.100 0.126 0.000 0.988 457 T CB 0.027 68.956 68.868 0.101 0.000 0.972 457 T HN 0.041 nan 8.240 nan 0.000 0.447 458 F N 2.837 122.827 119.950 0.067 0.000 2.450 458 F HA 0.721 5.248 4.527 0.000 0.000 0.332 458 F C -0.116 175.729 175.800 0.075 0.000 1.093 458 F CA -2.119 55.924 58.000 0.072 0.000 1.003 458 F CB 1.562 40.614 39.000 0.085 0.000 1.151 458 F HN 0.314 nan 8.300 nan 0.000 0.474 459 L N 5.091 126.447 121.223 0.222 0.000 2.362 459 L HA 0.652 4.992 4.340 0.000 0.000 0.275 459 L C -1.286 175.643 176.870 0.098 0.000 0.998 459 L CA -0.460 54.473 54.840 0.155 0.000 0.820 459 L CB 1.511 43.641 42.059 0.118 0.000 1.270 459 L HN 0.582 nan 8.230 nan 0.000 0.415 460 I N 4.803 125.470 120.570 0.161 0.000 2.404 460 I HA 0.857 5.027 4.170 0.000 0.000 0.293 460 I C -0.782 175.399 176.117 0.107 0.000 0.992 460 I CA -0.252 61.099 61.300 0.086 0.000 1.149 460 I CB 1.428 39.536 38.000 0.181 0.000 1.315 460 I HN 0.905 nan 8.210 nan 0.000 0.446 461 A N 4.950 127.621 122.820 -0.248 0.000 2.549 461 A HA 0.776 5.096 4.320 0.000 0.000 0.297 461 A C -0.518 176.596 177.584 -0.783 0.000 1.061 461 A CA -0.377 51.490 52.037 -0.284 0.000 0.690 461 A CB 1.313 20.377 19.000 0.107 0.000 1.287 461 A HN 0.813 nan 8.150 nan 0.000 0.402 462 G N -0.117 108.221 108.800 -0.770 0.000 2.504 462 G HA2 0.432 4.392 3.960 0.000 0.000 0.288 462 G HA3 0.432 4.392 3.960 0.000 0.000 0.288 462 G C 0.475 175.280 174.900 -0.159 0.000 1.182 462 G CA 0.323 45.163 45.100 -0.432 0.000 0.894 462 G HN 0.820 nan 8.290 nan 0.000 0.521 463 D N -0.001 120.316 120.400 -0.140 0.000 2.178 463 D HA -0.102 4.538 4.640 0.000 0.000 0.201 463 D C 2.066 178.430 176.300 0.106 0.000 0.980 463 D CA 1.279 55.202 54.000 -0.128 0.000 0.842 463 D CB -0.595 40.237 40.800 0.053 0.000 0.948 463 D HN 0.458 nan 8.370 nan 0.000 0.472 464 G N 0.975 109.920 108.800 0.241 0.000 2.434 464 G HA2 -0.127 3.833 3.960 0.000 0.000 0.214 464 G HA3 -0.127 3.833 3.960 0.000 0.000 0.214 464 G C 1.776 176.711 174.900 0.059 0.000 1.202 464 G CA 1.072 46.349 45.100 0.295 0.000 0.788 464 G HN 0.458 nan 8.290 nan 0.000 0.539 465 G N 0.118 109.025 108.800 0.178 0.000 2.402 465 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 465 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 465 G C 1.644 176.487 174.900 -0.096 0.000 1.162 465 G CA 0.835 45.922 45.100 -0.022 0.000 0.777 465 G HN 0.310 nan 8.290 nan 0.000 0.539 466 F N 1.072 120.974 119.950 -0.079 0.000 2.095 466 F HA -0.138 4.389 4.527 0.000 0.000 0.298 466 F C 2.441 178.227 175.800 -0.023 0.000 1.104 466 F CA 2.063 60.009 58.000 -0.090 0.000 1.232 466 F CB -0.302 38.560 39.000 -0.231 0.000 0.987 466 F HN 0.267 nan 8.300 nan 0.000 0.475 467 H N -0.197 118.833 119.070 -0.067 0.000 2.524 467 H HA -0.014 4.542 4.556 0.000 0.000 0.282 467 H C 2.396 177.541 175.328 -0.305 0.000 1.016 467 H CA 1.042 57.033 56.048 -0.096 0.000 1.270 467 H CB -0.422 29.377 29.762 0.062 0.000 1.394 467 H HN 0.347 nan 8.280 nan 0.000 0.568 468 S N -1.113 114.307 115.700 -0.467 0.000 2.447 468 S HA -0.120 4.350 4.470 0.000 0.000 0.233 468 S C 1.369 175.680 174.600 -0.481 0.000 1.006 468 S CA 1.327 59.144 58.200 -0.639 0.000 0.957 468 S CB -0.000 62.389 63.200 -1.351 0.000 0.773 468 S HN 0.430 nan 8.310 nan 0.000 0.507 469 N N 0.165 118.617 118.700 -0.414 0.000 2.471 469 N HA 0.189 4.929 4.740 0.000 0.000 0.270 469 N C 0.739 176.031 175.510 -0.363 0.000 1.490 469 N CA 0.568 53.439 53.050 -0.298 0.000 0.850 469 N CB 0.550 38.971 38.487 -0.111 0.000 1.411 469 N HN 0.337 nan 8.380 nan 0.000 0.488 470 S N -2.061 113.376 115.700 -0.438 0.000 2.489 470 S HA 0.008 4.478 4.470 0.000 0.000 0.228 470 S C 1.605 176.076 174.600 -0.215 0.000 0.995 470 S CA 0.595 58.487 58.200 -0.514 0.000 0.934 470 S CB -0.083 62.976 63.200 -0.234 0.000 0.771 470 S HN 0.137 nan 8.310 nan 0.000 0.522 471 S N 2.107 117.719 115.700 -0.145 0.000 2.442 471 S HA -0.046 4.424 4.470 0.000 0.000 0.236 471 S C 1.181 175.762 174.600 -0.031 0.000 1.007 471 S CA 0.907 59.072 58.200 -0.058 0.000 0.965 471 S CB -0.383 62.792 63.200 -0.042 0.000 0.773 471 S HN 0.553 nan 8.310 nan 0.000 0.504 472 D N 1.197 121.566 120.400 -0.052 0.000 2.352 472 D HA 0.091 4.731 4.640 0.000 0.000 0.232 472 D C 1.477 177.772 176.300 -0.008 0.000 1.055 472 D CA 0.109 54.096 54.000 -0.021 0.000 0.891 472 D CB -0.034 40.751 40.800 -0.025 0.000 0.897 472 D HN 0.356 nan 8.370 nan 0.000 0.529 473 L N 0.776 121.997 121.223 -0.004 0.000 2.081 473 L HA -0.191 4.149 4.340 0.000 0.000 0.212 473 L C 2.561 179.460 176.870 0.047 0.000 1.080 473 L CA 1.134 56.006 54.840 0.053 0.000 0.754 473 L CB -0.252 41.865 42.059 0.097 0.000 0.893 473 L HN 0.006 nan 8.230 nan 0.000 0.433 474 E N -0.120 120.101 120.200 0.035 0.000 2.118 474 E HA -0.206 4.145 4.350 0.000 0.000 0.195 474 E C 1.962 178.583 176.600 0.035 0.000 0.992 474 E CA 1.953 58.374 56.400 0.035 0.000 0.804 474 E CB -0.002 29.716 29.700 0.030 0.000 0.741 474 E HN 0.450 nan 8.360 nan 0.000 0.458 475 T N 1.386 115.960 114.554 0.032 0.000 2.777 475 T HA -0.070 4.280 4.350 0.000 0.000 0.266 475 T C 2.099 176.820 174.700 0.035 0.000 1.040 475 T CA 1.229 63.348 62.100 0.032 0.000 1.141 475 T CB -0.164 68.722 68.868 0.030 0.000 0.868 475 T HN 0.171 nan 8.240 nan 0.000 0.444 476 I N 1.362 121.955 120.570 0.038 0.000 2.163 476 I HA -0.213 3.957 4.170 0.000 0.000 0.243 476 I C 2.922 179.069 176.117 0.049 0.000 1.085 476 I CA 1.170 62.498 61.300 0.046 0.000 1.347 476 I CB -0.498 37.537 38.000 0.058 0.000 1.044 476 I HN 0.203 nan 8.210 nan 0.000 0.408 477 A N 0.830 123.679 122.820 0.049 0.000 1.865 477 A HA -0.280 4.040 4.320 0.000 0.000 0.217 477 A C 2.419 180.026 177.584 0.038 0.000 1.191 477 A CA 2.102 54.167 52.037 0.047 0.000 0.623 477 A CB -0.745 18.282 19.000 0.045 0.000 0.826 477 A HN 0.373 nan 8.150 nan 0.000 0.444 478 R N -0.279 120.241 120.500 0.034 0.000 2.091 478 R HA -0.060 4.280 4.340 0.000 0.000 0.238 478 R C 1.568 177.882 176.300 0.024 0.000 1.136 478 R CA 1.686 57.803 56.100 0.028 0.000 0.959 478 R CB -0.382 29.934 30.300 0.027 0.000 0.856 478 R HN 0.522 nan 8.270 nan 0.000 0.437 479 L N 0.516 121.755 121.223 0.026 0.000 2.591 479 L HA 0.074 4.414 4.340 0.000 0.000 0.228 479 L C 0.391 177.277 176.870 0.027 0.000 1.133 479 L CA -0.038 54.815 54.840 0.022 0.000 0.880 479 L CB -0.476 41.598 42.059 0.024 0.000 1.033 479 L HN 0.316 nan 8.230 nan 0.000 0.450 480 N N 1.345 120.064 118.700 0.033 0.000 2.705 480 N HA -0.214 4.526 4.740 0.000 0.000 0.255 480 N C -0.625 174.910 175.510 0.042 0.000 1.008 480 N CA 0.434 53.507 53.050 0.038 0.000 0.742 480 N CB -1.103 37.403 38.487 0.031 0.000 0.906 480 N HN 0.294 nan 8.380 nan 0.000 0.541 481 L N 0.805 122.057 121.223 0.048 0.000 2.260 481 L HA 0.353 4.693 4.340 0.000 0.000 0.289 481 L C -1.333 175.577 176.870 0.068 0.000 1.057 481 L CA -1.725 53.147 54.840 0.053 0.000 0.811 481 L CB 1.009 43.098 42.059 0.050 0.000 1.184 481 L HN 0.098 nan 8.230 nan 0.000 0.429 482 P HA 0.088 nan 4.420 nan 0.000 0.249 482 P C 0.046 177.418 177.300 0.120 0.000 1.686 482 P CA 0.076 63.230 63.100 0.089 0.000 0.873 482 P CB -0.328 31.418 31.700 0.076 0.000 1.828 483 I N 0.166 120.806 120.570 0.117 0.000 2.588 483 I HA 0.038 4.208 4.170 0.000 0.000 0.283 483 I C 0.636 176.837 176.117 0.140 0.000 1.119 483 I CA -0.363 61.021 61.300 0.139 0.000 1.419 483 I CB 1.066 39.131 38.000 0.107 0.000 1.394 483 I HN -0.154 nan 8.210 nan 0.000 0.562 484 V N 5.515 125.521 119.914 0.154 0.000 2.333 484 V HA 0.262 4.382 4.120 0.000 0.000 0.274 484 V C 0.146 176.205 176.094 -0.058 0.000 1.028 484 V CA -0.479 61.832 62.300 0.017 0.000 0.851 484 V CB 1.015 32.709 31.823 -0.215 0.000 1.000 484 V HN 0.725 nan 8.190 nan 0.000 0.456 485 T N 4.758 119.259 114.554 -0.087 0.000 2.795 485 T HA 0.535 4.885 4.350 0.000 0.000 0.282 485 T C -0.202 174.342 174.700 -0.260 0.000 0.980 485 T CA -0.326 61.688 62.100 -0.144 0.000 1.012 485 T CB 1.614 70.398 68.868 -0.140 0.000 0.936 485 T HN 0.340 nan 8.240 nan 0.000 0.457 486 V N 4.358 124.117 119.914 -0.259 0.000 2.357 486 V HA 0.353 4.473 4.120 0.000 0.000 0.284 486 V C -0.124 175.716 176.094 -0.423 0.000 1.018 486 V CA -0.758 61.359 62.300 -0.304 0.000 0.841 486 V CB 1.631 33.327 31.823 -0.211 0.000 0.991 486 V HN 0.712 nan 8.190 nan 0.000 0.437 487 V N 6.176 125.762 119.914 -0.546 0.000 2.333 487 V HA 0.293 4.413 4.120 0.000 0.000 0.274 487 V C 0.123 175.900 176.094 -0.528 0.000 1.028 487 V CA -0.651 61.221 62.300 -0.714 0.000 0.851 487 V CB 1.600 32.772 31.823 -1.085 0.000 1.000 487 V HN 0.719 nan 8.190 nan 0.000 0.456 488 V N 2.336 121.951 119.914 -0.498 0.000 2.389 488 V HA 0.546 4.666 4.120 0.000 0.000 0.264 488 V C -0.026 175.887 176.094 -0.301 0.000 1.049 488 V CA -0.361 61.727 62.300 -0.353 0.000 0.932 488 V CB 0.976 32.622 31.823 -0.294 0.000 1.011 488 V HN 0.758 nan 8.190 nan 0.000 0.475 489 N N 4.768 123.331 118.700 -0.228 0.000 2.417 489 N HA 0.418 5.158 4.740 0.000 0.000 0.274 489 N C 0.106 175.561 175.510 -0.093 0.000 0.987 489 N CA -0.469 52.503 53.050 -0.130 0.000 0.912 489 N CB 1.568 40.024 38.487 -0.052 0.000 1.177 489 N HN 0.887 nan 8.380 nan 0.000 0.490 490 N N 2.078 120.751 118.700 -0.045 0.000 2.240 490 N HA 0.089 4.829 4.740 0.000 0.000 0.240 490 N C -1.040 174.498 175.510 0.047 0.000 1.277 490 N CA -0.211 52.796 53.050 -0.072 0.000 0.873 490 N CB 0.043 38.373 38.487 -0.262 0.000 1.222 490 N HN 0.374 nan 8.380 nan 0.000 0.507 491 D N -0.008 120.485 120.400 0.154 0.000 2.751 491 D HA -0.137 4.503 4.640 0.000 0.000 0.233 491 D C -0.934 175.545 176.300 0.298 0.000 1.149 491 D CA 1.357 55.515 54.000 0.263 0.000 0.682 491 D CB -1.723 39.168 40.800 0.152 0.000 1.068 491 D HN 0.504 nan 8.370 nan 0.000 0.429 492 T N -0.263 114.492 114.554 0.335 0.000 2.942 492 T HA 0.249 4.599 4.350 0.000 0.000 0.327 492 T C -0.206 174.667 174.700 0.290 0.000 1.360 492 T CA -0.896 61.276 62.100 0.120 0.000 1.055 492 T CB 1.391 70.306 68.868 0.077 0.000 1.261 492 T HN -0.165 nan 8.240 nan 0.000 0.485 493 N N 1.767 120.541 118.700 0.124 0.000 2.605 493 N HA 0.216 4.956 4.740 0.000 0.000 0.258 493 N C 1.409 177.070 175.510 0.252 0.000 1.156 493 N CA -0.006 53.220 53.050 0.294 0.000 1.008 493 N CB 0.866 39.496 38.487 0.237 0.000 1.354 493 N HN 0.886 nan 8.380 nan 0.000 0.509 494 G N 1.271 110.284 108.800 0.355 0.000 2.421 494 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 494 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 494 G C 1.451 176.468 174.900 0.196 0.000 1.171 494 G CA 0.265 45.573 45.100 0.346 0.000 0.775 494 G HN 0.461 nan 8.290 nan 0.000 0.543 495 L N 0.984 122.368 121.223 0.268 0.000 2.079 495 L HA -0.065 4.275 4.340 0.000 0.000 0.210 495 L C 2.492 179.519 176.870 0.262 0.000 1.081 495 L CA 1.317 56.299 54.840 0.237 0.000 0.752 495 L CB -0.313 41.989 42.059 0.404 0.000 0.896 495 L HN 0.142 nan 8.230 nan 0.000 0.433 496 I N -0.719 120.018 120.570 0.279 0.000 2.353 496 I HA -0.210 3.960 4.170 0.000 0.000 0.248 496 I C 2.466 178.693 176.117 0.184 0.000 1.119 496 I CA 1.110 62.572 61.300 0.270 0.000 1.417 496 I CB -1.421 36.687 38.000 0.180 0.000 1.078 496 I HN 0.460 nan 8.210 nan 0.000 0.421 497 E N 1.058 121.323 120.200 0.108 0.000 2.077 497 E HA -0.252 4.099 4.350 0.000 0.000 0.193 497 E C 2.288 178.891 176.600 0.005 0.000 0.989 497 E CA 1.006 57.438 56.400 0.053 0.000 0.800 497 E CB -0.015 29.705 29.700 0.033 0.000 0.746 497 E HN 0.279 nan 8.360 nan 0.000 0.452 498 L N 0.295 121.470 121.223 -0.079 0.000 2.042 498 L HA -0.216 4.124 4.340 0.000 0.000 0.210 498 L C 1.972 178.731 176.870 -0.185 0.000 1.076 498 L CA 1.790 56.490 54.840 -0.234 0.000 0.749 498 L CB -0.721 41.049 42.059 -0.481 0.000 0.893 498 L HN 0.203 nan 8.230 nan 0.000 0.432 499 Y N 0.085 120.384 120.300 -0.002 0.000 2.224 499 Y HA -0.265 4.285 4.550 0.000 0.000 0.289 499 Y C 2.716 178.637 175.900 0.036 0.000 1.146 499 Y CA 1.850 59.965 58.100 0.025 0.000 1.182 499 Y CB -0.582 37.910 38.460 0.054 0.000 0.983 499 Y HN 0.368 nan 8.280 nan 0.000 0.524 500 Q N -0.171 119.755 119.800 0.210 0.000 2.061 500 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 500 Q C 1.972 178.063 176.000 0.151 0.000 0.984 500 Q CA 1.569 57.503 55.803 0.218 0.000 0.846 500 Q CB -0.303 28.520 28.738 0.141 0.000 0.902 500 Q HN 0.551 nan 8.270 nan 0.000 0.421 501 N N 0.416 119.148 118.700 0.052 0.000 2.188 501 N HA -0.097 4.643 4.740 0.000 0.000 0.184 501 N C 1.894 177.361 175.510 -0.072 0.000 1.018 501 N CA 0.992 54.047 53.050 0.008 0.000 0.858 501 N CB -0.052 38.425 38.487 -0.016 0.000 0.989 501 N HN 0.259 nan 8.380 nan 0.000 0.426 502 I N 0.602 121.115 120.570 -0.095 0.000 2.179 502 I HA -0.147 4.023 4.170 0.000 0.000 0.242 502 I C 2.462 178.426 176.117 -0.254 0.000 1.088 502 I CA 1.326 62.543 61.300 -0.139 0.000 1.357 502 I CB -0.433 37.514 38.000 -0.090 0.000 1.051 502 I HN 0.121 nan 8.210 nan 0.000 0.409 503 G N -1.059 107.612 108.800 -0.215 0.000 2.494 503 G HA2 -0.085 3.875 3.960 0.000 0.000 0.216 503 G HA3 -0.085 3.875 3.960 0.000 0.000 0.216 503 G C 1.349 175.857 174.900 -0.653 0.000 1.140 503 G CA 0.306 45.158 45.100 -0.414 0.000 0.801 503 G HN 0.416 nan 8.290 nan 0.000 0.536 504 H N -1.374 117.577 119.070 -0.199 0.000 3.170 504 H HA 0.139 4.695 4.556 0.000 0.000 0.264 504 H C 0.412 175.700 175.328 -0.066 0.000 1.113 504 H CA 0.081 56.056 56.048 -0.122 0.000 1.194 504 H CB 0.646 30.384 29.762 -0.040 0.000 1.553 504 H HN 0.347 nan 8.280 nan 0.000 0.538 505 H N 0.624 119.745 119.070 0.085 0.000 2.958 505 H HA -0.161 4.395 4.556 0.000 0.000 0.274 505 H C 0.370 175.730 175.328 0.054 0.000 1.184 505 H CA 1.379 57.455 56.048 0.047 0.000 1.143 505 H CB -1.166 28.612 29.762 0.027 0.000 1.297 505 H HN 0.592 nan 8.280 nan 0.000 0.356 506 R N -1.910 118.678 120.500 0.147 0.000 2.741 506 R HA 0.657 4.997 4.340 0.000 0.000 0.276 506 R C -1.108 175.244 176.300 0.085 0.000 1.028 506 R CA -0.782 55.380 56.100 0.102 0.000 0.865 506 R CB 1.054 31.409 30.300 0.092 0.000 1.268 506 R HN -0.041 nan 8.270 nan 0.000 0.475 507 S N -0.246 115.493 115.700 0.066 0.000 2.687 507 S HA 0.362 4.832 4.470 0.000 0.000 0.283 507 S C -1.084 173.577 174.600 0.101 0.000 1.170 507 S CA -0.457 57.780 58.200 0.062 0.000 1.008 507 S CB 0.691 63.909 63.200 0.030 0.000 1.026 507 S HN 0.617 nan 8.310 nan 0.000 0.541 508 H N 0.589 119.639 119.070 -0.033 0.000 3.177 508 H HA 0.335 4.891 4.556 0.000 0.000 0.314 508 H C -0.249 175.053 175.328 -0.044 0.000 1.059 508 H CA -0.565 55.455 56.048 -0.046 0.000 1.515 508 H CB 0.350 30.067 29.762 -0.074 0.000 1.672 508 H HN 0.447 nan 8.280 nan 0.000 0.514 509 D N 4.697 124.903 120.400 -0.323 0.000 2.144 509 D HA -0.097 4.543 4.640 0.000 0.000 0.199 509 D C -0.807 175.312 176.300 -0.301 0.000 0.984 509 D CA 0.755 54.602 54.000 -0.255 0.000 0.834 509 D CB -0.840 39.852 40.800 -0.180 0.000 0.955 509 D HN 0.539 nan 8.370 nan 0.000 0.465 510 P HA -0.072 nan 4.420 nan 0.000 0.220 510 P C 0.765 177.981 177.300 -0.140 0.000 1.144 510 P CA 1.385 64.326 63.100 -0.264 0.000 0.800 510 P CB 0.040 31.581 31.700 -0.266 0.000 0.772 511 A N -1.435 121.315 122.820 -0.115 0.000 2.267 511 A HA 0.161 4.481 4.320 0.000 0.000 0.213 511 A C 1.657 179.201 177.584 -0.066 0.000 1.192 511 A CA 0.988 53.015 52.037 -0.016 0.000 0.851 511 A CB -0.435 18.615 19.000 0.084 0.000 0.881 511 A HN 0.191 nan 8.150 nan 0.000 0.494 512 V N -5.795 114.027 119.914 -0.153 0.000 3.294 512 V HA 0.330 4.450 4.120 0.000 0.000 0.255 512 V C -0.009 175.800 176.094 -0.474 0.000 1.528 512 V CA -0.297 61.871 62.300 -0.221 0.000 1.086 512 V CB -0.202 31.567 31.823 -0.091 0.000 0.906 512 V HN 0.040 nan 8.190 nan 0.000 0.433 513 K N 1.592 121.760 120.400 -0.386 0.000 2.205 513 K HA 0.611 4.931 4.320 0.000 0.000 0.279 513 K C -1.134 175.217 176.600 -0.414 0.000 1.027 513 K CA -0.177 55.892 56.287 -0.363 0.000 0.932 513 K CB 1.448 33.852 32.500 -0.161 0.000 1.032 513 K HN 0.325 nan 8.250 nan 0.000 0.466 514 F N -0.622 119.361 119.950 0.056 0.000 2.557 514 F HA 0.477 5.004 4.527 0.000 0.000 0.336 514 F C 1.412 177.230 175.800 0.030 0.000 1.058 514 F CA -0.783 57.251 58.000 0.056 0.000 0.988 514 F CB 0.625 39.679 39.000 0.090 0.000 1.275 514 F HN 0.558 nan 8.300 nan 0.000 0.488 515 G N -0.646 108.300 108.800 0.243 0.000 2.563 515 G HA2 0.458 4.418 3.960 0.000 0.000 0.283 515 G HA3 0.458 4.418 3.960 0.000 0.000 0.283 515 G C -0.195 174.757 174.900 0.086 0.000 1.309 515 G CA -0.561 44.609 45.100 0.117 0.000 1.022 515 G HN 0.882 nan 8.290 nan 0.000 0.501 516 G N -1.531 107.279 108.800 0.017 0.000 2.378 516 G HA2 0.443 4.403 3.960 0.000 0.000 0.255 516 G HA3 0.443 4.403 3.960 0.000 0.000 0.255 516 G C -0.641 174.176 174.900 -0.138 0.000 1.270 516 G CA -0.098 44.981 45.100 -0.035 0.000 0.876 516 G HN 0.557 nan 8.290 nan 0.000 0.521 517 V N 3.168 122.925 119.914 -0.261 0.000 2.448 517 V HA 0.212 4.332 4.120 0.000 0.000 0.295 517 V C -0.540 175.180 176.094 -0.624 0.000 1.025 517 V CA -0.933 61.008 62.300 -0.599 0.000 0.859 517 V CB 1.888 33.016 31.823 -1.159 0.000 0.988 517 V HN 0.752 nan 8.190 nan 0.000 0.431 518 D N 3.458 123.573 120.400 -0.475 0.000 2.422 518 D HA 0.249 4.889 4.640 0.000 0.000 0.227 518 D C 0.529 176.615 176.300 -0.357 0.000 1.190 518 D CA -0.148 53.670 54.000 -0.303 0.000 0.905 518 D CB 0.615 41.308 40.800 -0.178 0.000 1.034 518 D HN 0.382 nan 8.370 nan 0.000 0.507 519 F N 2.102 121.964 119.950 -0.148 0.000 2.456 519 F HA -0.098 4.429 4.527 0.000 0.000 0.298 519 F C 2.305 178.021 175.800 -0.139 0.000 1.104 519 F CA 0.117 58.029 58.000 -0.146 0.000 1.435 519 F CB -0.085 38.793 39.000 -0.203 0.000 1.078 519 F HN 0.271 nan 8.300 nan 0.000 0.546 520 V N 0.052 119.965 119.914 -0.002 0.000 2.261 520 V HA -0.299 3.821 4.120 0.000 0.000 0.246 520 V C 2.602 178.664 176.094 -0.054 0.000 1.047 520 V CA 1.946 64.208 62.300 -0.063 0.000 1.015 520 V CB -1.302 30.475 31.823 -0.076 0.000 0.642 520 V HN 0.337 nan 8.190 nan 0.000 0.446 521 A N -0.615 122.167 122.820 -0.062 0.000 1.969 521 A HA -0.157 4.163 4.320 0.000 0.000 0.218 521 A C 2.151 179.708 177.584 -0.046 0.000 1.169 521 A CA 1.817 53.821 52.037 -0.056 0.000 0.635 521 A CB -0.511 18.447 19.000 -0.069 0.000 0.810 521 A HN 0.447 nan 8.150 nan 0.000 0.445 522 L N -0.283 120.905 121.223 -0.058 0.000 1.994 522 L HA -0.099 4.241 4.340 0.000 0.000 0.208 522 L C 2.814 179.711 176.870 0.044 0.000 1.071 522 L CA 2.093 56.923 54.840 -0.017 0.000 0.745 522 L CB -0.624 41.415 42.059 -0.033 0.000 0.892 522 L HN 0.350 nan 8.230 nan 0.000 0.431 523 A N -0.797 122.059 122.820 0.059 0.000 1.883 523 A HA -0.259 4.061 4.320 0.000 0.000 0.217 523 A C 2.146 179.745 177.584 0.025 0.000 1.186 523 A CA 2.023 54.092 52.037 0.053 0.000 0.624 523 A CB -0.734 18.265 19.000 -0.002 0.000 0.822 523 A HN 0.615 nan 8.150 nan 0.000 0.444 524 E N -0.365 119.836 120.200 0.002 0.000 2.153 524 E HA -0.103 4.247 4.350 0.000 0.000 0.194 524 E C 2.189 178.797 176.600 0.013 0.000 0.988 524 E CA 0.813 57.217 56.400 0.007 0.000 0.811 524 E CB -0.281 29.418 29.700 -0.002 0.000 0.746 524 E HN 0.636 nan 8.360 nan 0.000 0.466 525 A N 1.620 124.446 122.820 0.010 0.000 2.067 525 A HA -0.124 4.196 4.320 0.000 0.000 0.219 525 A C 1.737 179.333 177.584 0.020 0.000 1.158 525 A CA 0.928 52.971 52.037 0.011 0.000 0.661 525 A CB -0.170 18.833 19.000 0.004 0.000 0.801 525 A HN 0.140 nan 8.150 nan 0.000 0.452 526 N N -0.852 117.866 118.700 0.030 0.000 2.336 526 N HA 0.120 4.860 4.740 0.000 0.000 0.189 526 N C 0.906 176.438 175.510 0.036 0.000 1.113 526 N CA 0.830 53.902 53.050 0.036 0.000 0.858 526 N CB 0.420 38.936 38.487 0.049 0.000 0.970 526 N HN 0.588 nan 8.380 nan 0.000 0.471 527 G N 0.794 109.614 108.800 0.034 0.000 2.149 527 G HA2 -0.228 3.732 3.960 0.000 0.000 0.235 527 G HA3 -0.228 3.732 3.960 0.000 0.000 0.235 527 G C -0.294 174.634 174.900 0.047 0.000 1.018 527 G CA -0.107 45.015 45.100 0.037 0.000 0.728 527 G HN 0.145 nan 8.290 nan 0.000 0.508 528 V N 1.059 121.001 119.914 0.046 0.000 2.409 528 V HA 0.391 4.512 4.120 0.000 0.000 0.291 528 V C 0.037 176.155 176.094 0.039 0.000 1.020 528 V CA -1.300 61.032 62.300 0.054 0.000 0.848 528 V CB 1.679 33.532 31.823 0.050 0.000 0.990 528 V HN 0.266 nan 8.190 nan 0.000 0.430 529 D N 3.607 124.065 120.400 0.097 0.000 2.414 529 D HA 0.564 5.204 4.640 0.000 0.000 0.242 529 D C 0.156 176.402 176.300 -0.089 0.000 1.129 529 D CA 0.556 54.633 54.000 0.127 0.000 0.885 529 D CB 1.816 42.799 40.800 0.306 0.000 1.198 529 D HN 0.809 nan 8.370 nan 0.000 0.437 530 A N 1.249 123.952 122.820 -0.194 0.000 2.594 530 A HA 0.702 5.022 4.320 0.000 0.000 0.291 530 A C -0.546 176.839 177.584 -0.332 0.000 1.105 530 A CA -0.590 51.125 52.037 -0.537 0.000 0.694 530 A CB 2.420 21.227 19.000 -0.322 0.000 1.291 530 A HN 0.413 nan 8.150 nan 0.000 0.410 531 T N -0.506 113.808 114.554 -0.401 0.000 2.843 531 T HA 0.599 4.949 4.350 0.000 0.000 0.302 531 T C -1.190 173.423 174.700 -0.146 0.000 1.232 531 T CA -0.548 61.469 62.100 -0.138 0.000 1.009 531 T CB 1.398 70.300 68.868 0.057 0.000 1.254 531 T HN 0.832 nan 8.240 nan 0.000 0.504 532 R N 1.525 121.978 120.500 -0.078 0.000 2.346 532 R HA 0.784 5.124 4.340 0.000 0.000 0.311 532 R C -1.105 175.163 176.300 -0.054 0.000 0.983 532 R CA -0.516 55.538 56.100 -0.075 0.000 0.880 532 R CB 1.022 31.288 30.300 -0.057 0.000 1.100 532 R HN 0.671 nan 8.270 nan 0.000 0.453 533 A N 2.377 125.158 122.820 -0.066 0.000 2.330 533 A HA 0.347 4.667 4.320 0.000 0.000 0.313 533 A C 0.327 177.877 177.584 -0.057 0.000 1.124 533 A CA -0.619 51.388 52.037 -0.050 0.000 0.774 533 A CB 1.507 20.477 19.000 -0.051 0.000 1.198 533 A HN 0.882 nan 8.150 nan 0.000 0.465 534 T N -1.410 113.119 114.554 -0.042 0.000 3.044 534 T HA 0.296 4.646 4.350 0.000 0.000 0.260 534 T C 0.202 174.884 174.700 -0.030 0.000 1.019 534 T CA 0.421 62.498 62.100 -0.039 0.000 0.921 534 T CB -0.627 68.224 68.868 -0.029 0.000 1.053 534 T HN 0.909 nan 8.240 nan 0.000 0.533 535 N N -0.456 118.226 118.700 -0.029 0.000 3.020 535 N HA 0.390 5.130 4.740 0.000 0.000 0.248 535 N C 0.326 175.821 175.510 -0.026 0.000 1.480 535 N CA -1.141 51.896 53.050 -0.022 0.000 0.874 535 N CB 0.885 39.365 38.487 -0.012 0.000 1.433 535 N HN -0.189 nan 8.380 nan 0.000 0.530 536 R N -0.164 120.322 120.500 -0.023 0.000 2.103 536 R HA -0.196 4.144 4.340 0.000 0.000 0.242 536 R C 1.370 177.661 176.300 -0.016 0.000 1.142 536 R CA 2.034 58.120 56.100 -0.023 0.000 0.960 536 R CB -0.242 30.047 30.300 -0.020 0.000 0.858 536 R HN 0.794 nan 8.270 nan 0.000 0.439 537 E N 0.978 121.169 120.200 -0.014 0.000 2.031 537 E HA -0.209 4.141 4.350 0.000 0.000 0.193 537 E C 1.671 178.266 176.600 -0.009 0.000 0.994 537 E CA 1.340 57.734 56.400 -0.010 0.000 0.800 537 E CB 0.134 29.828 29.700 -0.010 0.000 0.752 537 E HN 0.378 nan 8.360 nan 0.000 0.447 538 E N 0.175 120.368 120.200 -0.011 0.000 2.106 538 E HA -0.187 4.163 4.350 0.000 0.000 0.192 538 E C 2.136 178.731 176.600 -0.008 0.000 0.984 538 E CA 0.698 57.093 56.400 -0.008 0.000 0.806 538 E CB -0.046 29.647 29.700 -0.012 0.000 0.750 538 E HN 0.213 nan 8.360 nan 0.000 0.458 539 L N 0.996 122.207 121.223 -0.019 0.000 2.005 539 L HA -0.128 4.212 4.340 0.000 0.000 0.207 539 L C 2.068 178.929 176.870 -0.015 0.000 1.072 539 L CA 1.481 56.305 54.840 -0.027 0.000 0.744 539 L CB -0.454 41.579 42.059 -0.044 0.000 0.895 539 L HN 0.106 nan 8.230 nan 0.000 0.433 540 L N -0.504 120.715 121.223 -0.007 0.000 2.043 540 L HA -0.254 4.086 4.340 0.000 0.000 0.212 540 L C 2.624 179.497 176.870 0.005 0.000 1.075 540 L CA 1.368 56.211 54.840 0.005 0.000 0.752 540 L CB -0.889 41.175 42.059 0.008 0.000 0.891 540 L HN 0.422 nan 8.230 nan 0.000 0.432 541 A N -0.285 122.536 122.820 0.002 0.000 1.873 541 A HA -0.122 4.198 4.320 0.000 0.000 0.215 541 A C 2.531 180.115 177.584 0.001 0.000 1.186 541 A CA 1.568 53.604 52.037 -0.001 0.000 0.616 541 A CB -0.706 18.294 19.000 -0.000 0.000 0.823 541 A HN 0.396 nan 8.150 nan 0.000 0.442 542 A N -0.239 122.601 122.820 0.033 0.000 1.902 542 A HA -0.065 4.256 4.320 0.000 0.000 0.217 542 A C 2.190 179.822 177.584 0.080 0.000 1.181 542 A CA 1.561 53.668 52.037 0.116 0.000 0.623 542 A CB -0.640 18.447 19.000 0.145 0.000 0.818 542 A HN 0.465 nan 8.150 nan 0.000 0.443 543 L N -1.236 119.986 121.223 -0.001 0.000 2.017 543 L HA -0.195 4.145 4.340 0.000 0.000 0.208 543 L C 2.886 179.731 176.870 -0.042 0.000 1.073 543 L CA 1.623 56.412 54.840 -0.084 0.000 0.745 543 L CB -0.425 41.572 42.059 -0.102 0.000 0.894 543 L HN 0.333 nan 8.230 nan 0.000 0.432 544 R N -0.109 120.387 120.500 -0.008 0.000 2.081 544 R HA -0.205 4.135 4.340 0.000 0.000 0.235 544 R C 2.346 178.611 176.300 -0.059 0.000 1.131 544 R CA 1.509 57.610 56.100 0.002 0.000 0.960 544 R CB -0.266 30.036 30.300 0.004 0.000 0.856 544 R HN 0.262 nan 8.270 nan 0.000 0.436 545 K N 0.122 120.443 120.400 -0.130 0.000 2.026 545 K HA -0.125 4.195 4.320 0.000 0.000 0.208 545 K C 2.077 178.445 176.600 -0.387 0.000 1.048 545 K CA 1.743 57.871 56.287 -0.264 0.000 0.929 545 K CB -0.315 31.974 32.500 -0.352 0.000 0.713 545 K HN 0.258 nan 8.250 nan 0.000 0.439 546 G N 0.408 108.956 108.800 -0.420 0.000 2.418 546 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 546 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 546 G C 1.583 176.443 174.900 -0.065 0.000 1.158 546 G CA 0.905 45.827 45.100 -0.296 0.000 0.771 546 G HN 0.455 nan 8.290 nan 0.000 0.545 547 A N 0.416 123.247 122.820 0.018 0.000 2.019 547 A HA 0.051 4.371 4.320 0.000 0.000 0.219 547 A C 1.985 179.612 177.584 0.073 0.000 1.164 547 A CA 1.672 53.803 52.037 0.157 0.000 0.644 547 A CB -0.172 18.990 19.000 0.270 0.000 0.805 547 A HN 0.476 nan 8.150 nan 0.000 0.449 548 E N -1.322 118.876 120.200 -0.003 0.000 2.501 548 E HA 0.159 4.509 4.350 0.000 0.000 0.201 548 E C 1.095 177.667 176.600 -0.045 0.000 1.016 548 E CA -0.337 56.053 56.400 -0.017 0.000 0.920 548 E CB 0.248 29.933 29.700 -0.025 0.000 1.023 548 E HN 0.409 nan 8.360 nan 0.000 0.474 549 L N 0.337 121.515 121.223 -0.074 0.000 2.217 549 L HA 0.092 4.432 4.340 0.000 0.000 0.211 549 L C 1.534 178.387 176.870 -0.029 0.000 1.107 549 L CA 1.815 56.601 54.840 -0.089 0.000 0.783 549 L CB -0.279 41.685 42.059 -0.159 0.000 0.919 549 L HN 0.284 nan 8.230 nan 0.000 0.442 550 G N -0.234 108.567 108.800 0.001 0.000 2.166 550 G HA2 -0.322 3.639 3.960 0.000 0.000 0.260 550 G HA3 -0.322 3.639 3.960 0.000 0.000 0.260 550 G C 0.597 175.514 174.900 0.029 0.000 0.986 550 G CA 0.698 45.808 45.100 0.017 0.000 0.683 550 G HN 0.442 nan 8.290 nan 0.000 0.527 551 R N -0.242 120.281 120.500 0.038 0.000 2.836 551 R HA 0.498 4.838 4.340 0.000 0.000 0.269 551 R C -2.690 173.668 176.300 0.096 0.000 1.010 551 R CA -1.986 54.150 56.100 0.061 0.000 0.930 551 R CB 2.126 32.462 30.300 0.061 0.000 1.218 551 R HN 0.033 nan 8.270 nan 0.000 0.473 552 P HA 0.043 nan 4.420 nan 0.000 0.269 552 P C -1.110 176.324 177.300 0.223 0.000 1.209 552 P CA 0.328 63.510 63.100 0.137 0.000 0.776 552 P CB 0.502 32.263 31.700 0.103 0.000 0.876 553 F N 2.627 122.574 119.950 -0.004 0.000 2.578 553 F HA 0.583 5.110 4.527 0.000 0.000 0.311 553 F C -1.400 174.366 175.800 -0.056 0.000 1.094 553 F CA -1.209 56.773 58.000 -0.030 0.000 0.923 553 F CB 1.722 40.693 39.000 -0.048 0.000 1.230 553 F HN 0.152 nan 8.300 nan 0.000 0.450 554 L N 6.333 127.196 121.223 -0.601 0.000 2.365 554 L HA 0.736 5.076 4.340 0.000 0.000 0.273 554 L C -1.610 174.850 176.870 -0.683 0.000 1.000 554 L CA -0.454 54.089 54.840 -0.494 0.000 0.819 554 L CB 1.603 43.480 42.059 -0.303 0.000 1.284 554 L HN 0.569 nan 8.230 nan 0.000 0.418 555 I N 4.049 124.338 120.570 -0.468 0.000 2.410 555 I HA 0.362 4.532 4.170 0.000 0.000 0.286 555 I C -0.458 175.472 176.117 -0.312 0.000 1.009 555 I CA -0.426 60.652 61.300 -0.370 0.000 1.111 555 I CB 1.861 39.714 38.000 -0.245 0.000 1.262 555 I HN 0.587 nan 8.210 nan 0.000 0.443 556 E N 5.906 125.956 120.200 -0.250 0.000 2.259 556 E HA 0.507 4.857 4.350 0.000 0.000 0.281 556 E C -1.428 175.069 176.600 -0.172 0.000 1.027 556 E CA -0.515 55.756 56.400 -0.214 0.000 0.838 556 E CB 1.477 31.113 29.700 -0.107 0.000 1.066 556 E HN 0.382 nan 8.360 nan 0.000 0.401 557 V N 7.297 127.096 119.914 -0.191 0.000 2.443 557 V HA 0.320 4.440 4.120 0.000 0.000 0.293 557 V C -2.272 173.733 176.094 -0.148 0.000 1.021 557 V CA -1.855 60.352 62.300 -0.155 0.000 0.848 557 V CB 1.504 33.229 31.823 -0.164 0.000 0.998 557 V HN 0.710 nan 8.190 nan 0.000 0.424 558 P HA 0.216 nan 4.420 nan 0.000 0.271 558 P C -0.536 176.680 177.300 -0.139 0.000 1.220 558 P CA 0.320 63.356 63.100 -0.107 0.000 0.768 558 P CB 1.406 33.062 31.700 -0.074 0.000 0.848 559 V N 0.714 120.518 119.914 -0.184 0.000 3.141 559 V HA 0.744 4.864 4.120 0.000 0.000 0.312 559 V C -0.811 175.094 176.094 -0.316 0.000 1.157 559 V CA -1.065 61.090 62.300 -0.241 0.000 1.041 559 V CB 2.246 33.915 31.823 -0.257 0.000 1.071 559 V HN 0.429 nan 8.190 nan 0.000 0.441 560 N N -0.367 118.132 118.700 -0.334 0.000 2.264 560 N HA 0.727 5.467 4.740 0.000 0.000 0.288 560 N C -1.696 173.669 175.510 -0.241 0.000 1.094 560 N CA -0.430 52.422 53.050 -0.331 0.000 0.817 560 N CB 1.939 40.329 38.487 -0.162 0.000 1.604 560 N HN 0.751 nan 8.380 nan 0.000 0.473 561 Y N 0.000 120.313 120.300 0.022 0.000 2.660 561 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 561 Y CA 0.000 58.125 58.100 0.042 0.000 1.940 561 Y CB 0.000 38.468 38.460 0.014 0.000 1.050 561 Y HN 0.000 nan 8.280 nan 0.000 0.758