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 2iht_1_A DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGXTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PXSKYAVELQ RPHEITDLVD SAVNAAXTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID XXXPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YXDGILNFPA LQTXFAPVDL VLTVGYDYAE DLRPSXWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GXRVHQVIDS XNTVXEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQX ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE YDFQPGGFGA LSI 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 0.000 176.554 176.600 -0.076 0.000 0.988 11 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 11 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 12 P HA 0.001 nan 4.420 nan 0.000 0.265 12 P C -0.237 177.036 177.300 -0.045 0.000 1.193 12 P CA -0.057 62.945 63.100 -0.164 0.000 0.765 12 P CB 0.546 32.032 31.700 -0.357 0.000 0.823 13 T N -1.418 113.140 114.554 0.007 0.000 2.893 13 T HA 0.557 4.907 4.350 -0.001 0.000 0.279 13 T C 1.263 176.003 174.700 0.067 0.000 0.991 13 T CA -0.203 61.915 62.100 0.030 0.000 0.950 13 T CB 0.825 69.701 68.868 0.014 0.000 1.223 13 T HN 0.198 nan 8.240 nan 0.000 0.585 14 A N -0.035 122.818 122.820 0.053 0.000 2.070 14 A HA 0.241 4.560 4.320 -0.001 0.000 0.220 14 A C 2.533 180.148 177.584 0.052 0.000 1.159 14 A CA 1.706 53.778 52.037 0.058 0.000 0.656 14 A CB -1.572 17.454 19.000 0.044 0.000 0.800 14 A HN 1.169 nan 8.150 nan 0.000 0.453 15 A N -0.952 121.885 122.820 0.029 0.000 1.877 15 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 15 A C 2.160 179.730 177.584 -0.023 0.000 1.186 15 A CA 1.734 53.755 52.037 -0.027 0.000 0.620 15 A CB -0.942 17.997 19.000 -0.102 0.000 0.822 15 A HN 0.739 nan 8.150 nan 0.000 0.443 16 H N 0.066 119.100 119.070 -0.059 0.000 2.353 16 H HA -0.039 4.516 4.556 -0.001 0.000 0.300 16 H C 2.240 177.562 175.328 -0.009 0.000 1.090 16 H CA 1.733 57.757 56.048 -0.041 0.000 1.327 16 H CB -0.213 29.530 29.762 -0.033 0.000 1.383 16 H HN 0.395 nan 8.280 nan 0.000 0.508 17 A N 1.188 124.080 122.820 0.120 0.000 1.969 17 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 17 A C 2.527 180.123 177.584 0.020 0.000 1.169 17 A CA 1.285 53.371 52.037 0.083 0.000 0.635 17 A CB -0.669 18.397 19.000 0.110 0.000 0.810 17 A HN 0.431 nan 8.150 nan 0.000 0.445 18 L N -0.288 120.950 121.223 0.024 0.000 2.005 18 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 18 L C 2.231 179.120 176.870 0.033 0.000 1.072 18 L CA 1.717 56.587 54.840 0.050 0.000 0.744 18 L CB -0.621 41.495 42.059 0.095 0.000 0.895 18 L HN 0.365 nan 8.230 nan 0.000 0.433 19 L N -0.903 120.305 121.223 -0.026 0.000 2.083 19 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 19 L C 2.736 179.560 176.870 -0.077 0.000 1.083 19 L CA 1.446 56.265 54.840 -0.036 0.000 0.752 19 L CB -0.753 41.252 42.059 -0.090 0.000 0.899 19 L HN 0.434 nan 8.230 nan 0.000 0.433 20 S N -0.183 115.413 115.700 -0.175 0.000 2.368 20 S HA -0.221 4.249 4.470 -0.001 0.000 0.225 20 S C 2.186 176.758 174.600 -0.048 0.000 1.030 20 S CA 1.314 59.418 58.200 -0.161 0.000 0.999 20 S CB -0.075 62.981 63.200 -0.241 0.000 0.844 20 S HN 0.234 nan 8.310 nan 0.000 0.459 21 R N 1.014 121.513 120.500 -0.001 0.000 2.090 21 R HA 0.212 4.552 4.340 -0.001 0.000 0.228 21 R C 2.198 178.578 176.300 0.133 0.000 1.110 21 R CA 1.240 57.375 56.100 0.058 0.000 0.973 21 R CB -0.964 29.391 30.300 0.091 0.000 0.869 21 R HN 0.497 nan 8.270 nan 0.000 0.440 22 L N -0.144 121.148 121.223 0.114 0.000 2.012 22 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 22 L C 2.500 179.432 176.870 0.103 0.000 1.073 22 L CA 1.658 56.577 54.840 0.132 0.000 0.748 22 L CB -0.449 41.678 42.059 0.113 0.000 0.891 22 L HN 0.123 nan 8.230 nan 0.000 0.431 23 R N 0.674 121.201 120.500 0.044 0.000 2.091 23 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 23 R C 1.797 178.097 176.300 0.001 0.000 1.136 23 R CA 1.718 57.828 56.100 0.016 0.000 0.959 23 R CB -0.618 29.673 30.300 -0.015 0.000 0.856 23 R HN 0.299 nan 8.270 nan 0.000 0.437 24 D N -0.582 119.799 120.400 -0.031 0.000 2.182 24 D HA -0.162 4.477 4.640 -0.001 0.000 0.201 24 D C 1.144 177.342 176.300 -0.169 0.000 0.986 24 D CA 1.185 55.117 54.000 -0.114 0.000 0.847 24 D CB -0.255 40.437 40.800 -0.180 0.000 0.942 24 D HN 0.444 nan 8.370 nan 0.000 0.467 25 H N -0.901 118.172 119.070 0.004 0.000 2.533 25 H HA 0.249 4.805 4.556 -0.001 0.000 0.271 25 H C 1.445 176.779 175.328 0.010 0.000 1.000 25 H CA 0.817 56.868 56.048 0.006 0.000 1.149 25 H CB 0.517 30.283 29.762 0.006 0.000 1.375 25 H HN 0.225 nan 8.280 nan 0.000 0.582 26 G N 0.672 109.521 108.800 0.082 0.000 2.175 26 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.244 26 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.244 26 G C 0.329 175.262 174.900 0.055 0.000 0.982 26 G CA 0.258 45.392 45.100 0.056 0.000 0.641 26 G HN 0.218 nan 8.290 nan 0.000 0.527 27 V N 0.983 120.938 119.914 0.068 0.000 2.521 27 V HA 0.514 4.634 4.120 -0.001 0.000 0.286 27 V C 1.599 177.709 176.094 0.026 0.000 1.034 27 V CA 1.210 63.543 62.300 0.055 0.000 1.045 27 V CB 1.263 33.130 31.823 0.074 0.000 0.974 27 V HN 0.637 nan 8.190 nan 0.000 0.480 28 G N 4.534 113.338 108.800 0.006 0.000 2.944 28 G HA2 0.184 4.144 3.960 -0.001 0.000 0.220 28 G HA3 0.184 4.144 3.960 -0.001 0.000 0.220 28 G C 0.450 175.305 174.900 -0.075 0.000 1.100 28 G CA -0.111 44.976 45.100 -0.022 0.000 0.780 28 G HN 0.500 nan 8.290 nan 0.000 0.539 29 K N 0.456 120.787 120.400 -0.116 0.000 2.469 29 K HA 0.611 4.930 4.320 -0.001 0.000 0.254 29 K C -1.603 174.816 176.600 -0.302 0.000 0.939 29 K CA -0.636 55.469 56.287 -0.304 0.000 0.812 29 K CB 2.975 35.158 32.500 -0.528 0.000 1.301 29 K HN -0.130 nan 8.250 nan 0.000 0.433 30 V N 3.303 122.952 119.914 -0.441 0.000 2.407 30 V HA 0.414 4.533 4.120 -0.001 0.000 0.291 30 V C -0.830 174.772 176.094 -0.821 0.000 1.018 30 V CA -0.833 61.242 62.300 -0.374 0.000 0.842 30 V CB 0.612 32.349 31.823 -0.144 0.000 0.996 30 V HN 0.522 nan 8.190 nan 0.000 0.426 31 F N 3.151 122.846 119.950 -0.425 0.000 2.394 31 F HA 0.850 5.377 4.527 -0.001 0.000 0.340 31 F C 1.006 176.546 175.800 -0.433 0.000 1.105 31 F CA 0.373 58.078 58.000 -0.493 0.000 1.124 31 F CB 1.744 40.588 39.000 -0.259 0.000 1.145 31 F HN 0.710 nan 8.300 nan 0.000 0.505 32 G N 0.915 109.513 108.800 -0.337 0.000 2.335 32 G HA2 0.455 4.414 3.960 -0.001 0.000 0.291 32 G HA3 0.455 4.414 3.960 -0.001 0.000 0.291 32 G C -2.339 172.741 174.900 0.300 0.000 1.261 32 G CA -0.759 44.403 45.100 0.102 0.000 0.871 32 G HN 0.454 nan 8.290 nan 0.000 0.491 33 V N 0.361 120.523 119.914 0.414 0.000 2.531 33 V HA 0.585 4.705 4.120 -0.001 0.000 0.301 33 V C 0.014 176.340 176.094 0.386 0.000 1.034 33 V CA -0.701 61.797 62.300 0.331 0.000 0.865 33 V CB 1.427 33.352 31.823 0.169 0.000 0.995 33 V HN 0.731 nan 8.190 nan 0.000 0.424 34 V N 4.073 124.111 119.914 0.207 0.000 2.509 34 V HA 0.742 4.861 4.120 -0.001 0.000 0.284 34 V C 0.930 177.120 176.094 0.160 0.000 1.047 34 V CA 0.369 62.771 62.300 0.169 0.000 0.952 34 V CB 1.184 32.913 31.823 -0.156 0.000 0.988 34 V HN 0.970 nan 8.190 nan 0.000 0.469 35 G N 3.561 112.493 108.800 0.219 0.000 2.940 35 G HA2 0.311 4.271 3.960 -0.001 0.000 0.164 35 G HA3 0.311 4.271 3.960 -0.001 0.000 0.164 35 G C 0.813 175.786 174.900 0.122 0.000 1.326 35 G CA -0.229 44.956 45.100 0.141 0.000 1.020 35 G HN 0.749 nan 8.290 nan 0.000 0.586 36 R N 0.056 120.617 120.500 0.102 0.000 2.285 36 R HA -0.010 4.330 4.340 -0.001 0.000 0.213 36 R C 1.664 178.015 176.300 0.086 0.000 1.068 36 R CA 1.732 57.881 56.100 0.082 0.000 1.004 36 R CB -0.252 30.093 30.300 0.076 0.000 0.873 36 R HN 0.542 nan 8.270 nan 0.000 0.467 37 E N 1.685 121.962 120.200 0.128 0.000 2.463 37 E HA -0.142 4.207 4.350 -0.001 0.000 0.201 37 E C 1.534 178.193 176.600 0.098 0.000 1.045 37 E CA 1.106 57.593 56.400 0.145 0.000 0.872 37 E CB -0.073 29.782 29.700 0.258 0.000 0.797 37 E HN 0.482 nan 8.360 nan 0.000 0.538 38 A N 1.682 124.545 122.820 0.071 0.000 2.084 38 A HA -0.052 4.267 4.320 -0.001 0.000 0.221 38 A C 2.454 180.023 177.584 -0.026 0.000 1.161 38 A CA 1.840 53.874 52.037 -0.005 0.000 0.653 38 A CB -0.625 18.372 19.000 -0.006 0.000 0.802 38 A HN 0.443 nan 8.150 nan 0.000 0.457 39 A N -1.339 121.483 122.820 0.003 0.000 2.067 39 A HA 0.058 4.377 4.320 -0.001 0.000 0.219 39 A C 2.228 179.803 177.584 -0.015 0.000 1.158 39 A CA 1.832 53.867 52.037 -0.003 0.000 0.661 39 A CB -0.316 18.693 19.000 0.015 0.000 0.801 39 A HN 0.426 nan 8.150 nan 0.000 0.452 40 S N -1.865 113.825 115.700 -0.016 0.000 2.506 40 S HA 0.385 4.854 4.470 -0.001 0.000 0.219 40 S C 0.282 174.825 174.600 -0.096 0.000 1.031 40 S CA -0.086 58.097 58.200 -0.028 0.000 0.911 40 S CB 0.169 63.376 63.200 0.013 0.000 0.812 40 S HN 0.476 nan 8.310 nan 0.000 0.497 41 I N 1.287 121.754 120.570 -0.172 0.000 2.500 41 I HA 0.334 4.503 4.170 -0.001 0.000 0.286 41 I C -0.055 175.790 176.117 -0.453 0.000 1.063 41 I CA -0.460 60.594 61.300 -0.410 0.000 1.062 41 I CB 1.331 38.921 38.000 -0.684 0.000 1.223 41 I HN 0.061 nan 8.210 nan 0.000 0.435 42 L N 6.933 127.935 121.223 -0.368 0.000 2.249 42 L HA 0.176 4.516 4.340 -0.001 0.000 0.207 42 L C 0.391 177.178 176.870 -0.137 0.000 1.090 42 L CA 0.853 55.568 54.840 -0.209 0.000 0.802 42 L CB 0.038 42.028 42.059 -0.116 0.000 0.947 42 L HN 0.826 nan 8.230 nan 0.000 0.453 43 F N -0.494 119.321 119.950 -0.225 0.000 2.628 43 F HA -0.230 4.297 4.527 -0.001 0.000 0.319 43 F C 0.829 176.566 175.800 -0.105 0.000 0.645 43 F CA 0.672 58.553 58.000 -0.199 0.000 1.499 43 F CB -1.784 37.048 39.000 -0.281 0.000 1.900 43 F HN 0.354 nan 8.300 nan 0.000 0.308 44 D N -0.676 119.730 120.400 0.010 0.000 2.431 44 D HA 0.147 4.787 4.640 -0.001 0.000 0.213 44 D C 1.308 177.611 176.300 0.005 0.000 1.130 44 D CA 0.370 54.379 54.000 0.015 0.000 0.834 44 D CB -0.018 40.786 40.800 0.006 0.000 0.985 44 D HN 0.311 nan 8.370 nan 0.000 0.504 45 E N -0.072 120.118 120.200 -0.017 0.000 2.150 45 E HA 0.022 4.372 4.350 -0.001 0.000 0.193 45 E C 0.167 176.802 176.600 0.058 0.000 0.985 45 E CA 0.755 57.177 56.400 0.036 0.000 0.814 45 E CB 0.333 30.046 29.700 0.022 0.000 0.752 45 E HN 0.122 nan 8.360 nan 0.000 0.466 46 V N 1.739 121.641 119.914 -0.020 0.000 2.407 46 V HA 0.155 4.275 4.120 -0.001 0.000 0.291 46 V C -0.348 175.740 176.094 -0.010 0.000 1.018 46 V CA -0.771 61.500 62.300 -0.048 0.000 0.842 46 V CB 1.684 33.419 31.823 -0.146 0.000 0.996 46 V HN 0.034 nan 8.190 nan 0.000 0.426 47 E N 2.865 123.068 120.200 0.005 0.000 2.384 47 E HA 0.405 4.754 4.350 -0.001 0.000 0.266 47 E C 1.170 177.770 176.600 -0.001 0.000 1.012 47 E CA 0.958 57.361 56.400 0.007 0.000 0.901 47 E CB 0.796 30.503 29.700 0.012 0.000 0.967 47 E HN 1.075 nan 8.360 nan 0.000 0.435 48 G N 3.160 111.959 108.800 -0.002 0.000 2.179 48 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.220 48 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.220 48 G C 0.011 174.906 174.900 -0.009 0.000 0.990 48 G CA -0.178 44.919 45.100 -0.006 0.000 0.646 48 G HN 0.525 nan 8.290 nan 0.000 0.517 49 I N 1.675 122.242 120.570 -0.004 0.000 2.447 49 I HA 0.505 4.674 4.170 -0.001 0.000 0.287 49 I C -1.472 174.648 176.117 0.004 0.000 1.023 49 I CA -0.919 60.380 61.300 -0.003 0.000 1.083 49 I CB 1.363 39.373 38.000 0.017 0.000 1.245 49 I HN -0.036 nan 8.210 nan 0.000 0.434 50 D N 7.047 127.421 120.400 -0.043 0.000 2.350 50 D HA 0.260 4.900 4.640 -0.001 0.000 0.245 50 D C -0.973 175.255 176.300 -0.120 0.000 1.036 50 D CA -0.114 53.855 54.000 -0.052 0.000 0.848 50 D CB 2.370 43.117 40.800 -0.088 0.000 1.307 50 D HN 0.241 nan 8.370 nan 0.000 0.469 51 F N 1.440 121.247 119.950 -0.238 0.000 2.396 51 F HA 0.264 4.790 4.527 -0.001 0.000 0.343 51 F C -0.210 175.386 175.800 -0.339 0.000 1.104 51 F CA -0.360 57.402 58.000 -0.397 0.000 1.161 51 F CB 0.914 39.586 39.000 -0.546 0.000 1.146 51 F HN -0.022 nan 8.300 nan 0.000 0.522 52 V N 7.895 127.253 119.914 -0.926 0.000 2.304 52 V HA 0.213 4.332 4.120 -0.001 0.000 0.278 52 V C -0.539 175.269 176.094 -0.478 0.000 1.018 52 V CA -0.836 61.117 62.300 -0.578 0.000 0.814 52 V CB 0.967 32.358 31.823 -0.719 0.000 1.021 52 V HN 0.586 nan 8.190 nan 0.000 0.440 53 L N 6.569 127.744 121.223 -0.082 0.000 2.319 53 L HA 0.590 4.930 4.340 -0.001 0.000 0.280 53 L C 0.742 177.648 176.870 0.059 0.000 1.099 53 L CA 0.895 55.801 54.840 0.110 0.000 0.828 53 L CB 1.174 43.352 42.059 0.200 0.000 1.150 53 L HN 0.859 nan 8.230 nan 0.000 0.442 54 T N 1.894 116.494 114.554 0.077 0.000 2.937 54 T HA 0.524 4.874 4.350 -0.001 0.000 0.283 54 T C 0.990 175.742 174.700 0.087 0.000 1.012 54 T CA -0.801 61.342 62.100 0.072 0.000 0.997 54 T CB 1.245 70.152 68.868 0.066 0.000 1.136 54 T HN 0.523 nan 8.240 nan 0.000 0.551 55 R N -0.285 120.266 120.500 0.085 0.000 2.246 55 R HA 0.220 4.559 4.340 -0.001 0.000 0.199 55 R C 0.534 176.921 176.300 0.145 0.000 0.984 55 R CA 0.546 56.701 56.100 0.093 0.000 1.015 55 R CB -0.679 29.661 30.300 0.067 0.000 0.930 55 R HN 0.785 nan 8.270 nan 0.000 0.475 56 H N -0.392 118.710 119.070 0.053 0.000 2.974 56 H HA 0.158 4.714 4.556 -0.001 0.000 0.366 56 H C -0.164 175.221 175.328 0.094 0.000 1.155 56 H CA -0.259 55.834 56.048 0.076 0.000 1.186 56 H CB 1.953 31.763 29.762 0.081 0.000 1.799 56 H HN -0.224 nan 8.280 nan 0.000 0.541 57 E N 2.749 122.911 120.200 -0.063 0.000 2.153 57 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 57 E C 1.564 178.297 176.600 0.222 0.000 0.988 57 E CA 1.156 57.601 56.400 0.075 0.000 0.811 57 E CB -0.082 29.616 29.700 -0.003 0.000 0.746 57 E HN 0.471 nan 8.360 nan 0.000 0.466 58 F N 1.390 121.545 119.950 0.341 0.000 2.095 58 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 58 F C 2.002 177.848 175.800 0.077 0.000 1.104 58 F CA 1.768 59.889 58.000 0.201 0.000 1.232 58 F CB -0.699 38.408 39.000 0.178 0.000 0.987 58 F HN -0.086 nan 8.300 nan 0.000 0.475 59 T N 0.913 115.415 114.554 -0.087 0.000 2.720 59 T HA -0.206 4.144 4.350 -0.001 0.000 0.268 59 T C 2.238 176.774 174.700 -0.274 0.000 1.037 59 T CA 1.591 63.531 62.100 -0.268 0.000 1.144 59 T CB -0.936 67.893 68.868 -0.065 0.000 0.864 59 T HN 0.416 nan 8.240 nan 0.000 0.444 60 A N 1.391 124.144 122.820 -0.112 0.000 1.877 60 A HA 0.087 4.406 4.320 -0.001 0.000 0.216 60 A C 2.653 180.126 177.584 -0.185 0.000 1.186 60 A CA 1.936 53.925 52.037 -0.080 0.000 0.620 60 A CB -1.389 17.643 19.000 0.055 0.000 0.822 60 A HN 0.518 nan 8.150 nan 0.000 0.443 61 G N -0.801 107.912 108.800 -0.145 0.000 2.402 61 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.216 61 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.216 61 G C 1.495 176.241 174.900 -0.256 0.000 1.162 61 G CA 1.200 46.219 45.100 -0.136 0.000 0.777 61 G HN 0.322 nan 8.290 nan 0.000 0.539 62 V N 1.504 121.168 119.914 -0.417 0.000 2.358 62 V HA -0.088 4.031 4.120 -0.001 0.000 0.246 62 V C 3.307 179.105 176.094 -0.494 0.000 1.047 62 V CA 1.875 63.898 62.300 -0.462 0.000 1.035 62 V CB -0.739 30.656 31.823 -0.713 0.000 0.658 62 V HN 0.463 nan 8.190 nan 0.000 0.452 63 A N 0.111 122.566 122.820 -0.609 0.000 1.902 63 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 63 A C 2.424 179.482 177.584 -0.876 0.000 1.181 63 A CA 2.132 53.690 52.037 -0.797 0.000 0.623 63 A CB -0.746 17.612 19.000 -1.071 0.000 0.818 63 A HN 0.564 nan 8.150 nan 0.000 0.443 64 A N -0.007 122.339 122.820 -0.791 0.000 1.898 64 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 64 A C 1.963 179.412 177.584 -0.225 0.000 1.181 64 A CA 1.839 53.635 52.037 -0.401 0.000 0.620 64 A CB -0.652 18.271 19.000 -0.128 0.000 0.819 64 A HN 0.658 nan 8.150 nan 0.000 0.442 65 D N 0.073 120.344 120.400 -0.215 0.000 2.116 65 D HA -0.152 4.488 4.640 -0.001 0.000 0.193 65 D C 1.902 178.101 176.300 -0.168 0.000 0.998 65 D CA 2.087 56.000 54.000 -0.146 0.000 0.836 65 D CB -0.063 40.674 40.800 -0.105 0.000 0.951 65 D HN 0.220 nan 8.370 nan 0.000 0.449 66 V N 0.966 120.744 119.914 -0.227 0.000 2.379 66 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 66 V C 2.663 178.642 176.094 -0.193 0.000 1.044 66 V CA 1.095 63.260 62.300 -0.225 0.000 1.036 66 V CB -0.531 31.131 31.823 -0.267 0.000 0.664 66 V HN 0.212 nan 8.190 nan 0.000 0.453 67 L N 1.048 122.161 121.223 -0.185 0.000 2.042 67 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 67 L C 2.444 179.279 176.870 -0.059 0.000 1.076 67 L CA 2.457 57.243 54.840 -0.091 0.000 0.749 67 L CB -0.942 41.098 42.059 -0.031 0.000 0.893 67 L HN 0.245 nan 8.230 nan 0.000 0.432 68 A N -0.582 122.195 122.820 -0.071 0.000 1.902 68 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 68 A C 2.511 180.053 177.584 -0.069 0.000 1.181 68 A CA 1.720 53.729 52.037 -0.047 0.000 0.623 68 A CB -0.628 18.347 19.000 -0.042 0.000 0.818 68 A HN 0.520 nan 8.150 nan 0.000 0.443 69 R N -0.171 120.241 120.500 -0.146 0.000 2.083 69 R HA -0.101 4.238 4.340 -0.001 0.000 0.237 69 R C 1.895 178.073 176.300 -0.204 0.000 1.137 69 R CA 2.045 57.989 56.100 -0.260 0.000 0.951 69 R CB -0.413 29.601 30.300 -0.476 0.000 0.851 69 R HN 0.536 nan 8.270 nan 0.000 0.434 70 I N 0.283 120.764 120.570 -0.147 0.000 2.233 70 I HA -0.203 3.966 4.170 -0.001 0.000 0.243 70 I C 2.391 178.558 176.117 0.083 0.000 1.093 70 I CA 1.677 62.992 61.300 0.025 0.000 1.380 70 I CB -0.429 37.582 38.000 0.018 0.000 1.067 70 I HN 0.412 nan 8.210 nan 0.000 0.413 71 T N -1.709 112.868 114.554 0.039 0.000 2.985 71 T HA 0.087 4.436 4.350 -0.001 0.000 0.266 71 T C 1.726 176.460 174.700 0.057 0.000 1.076 71 T CA 0.672 62.802 62.100 0.049 0.000 1.135 71 T CB -0.196 68.695 68.868 0.038 0.000 0.890 71 T HN 0.542 nan 8.240 nan 0.000 0.480 72 G N 1.719 110.551 108.800 0.053 0.000 2.153 72 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 72 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 72 G C 0.071 174.994 174.900 0.039 0.000 0.994 72 G CA 0.172 45.305 45.100 0.055 0.000 0.698 72 G HN 0.733 nan 8.290 nan 0.000 0.521 73 R N -0.059 120.461 120.500 0.033 0.000 2.711 73 R HA 0.501 4.840 4.340 -0.001 0.000 0.284 73 R C -2.771 173.545 176.300 0.026 0.000 0.968 73 R CA -2.239 53.882 56.100 0.035 0.000 0.924 73 R CB 1.577 31.903 30.300 0.044 0.000 1.162 73 R HN -0.008 nan 8.270 nan 0.000 0.465 74 P HA -0.050 nan 4.420 nan 0.000 0.265 74 P C -0.764 176.557 177.300 0.035 0.000 1.193 74 P CA 0.293 63.399 63.100 0.010 0.000 0.765 74 P CB 0.660 32.348 31.700 -0.021 0.000 0.823 75 Q N 0.936 120.759 119.800 0.039 0.000 2.552 75 Q HA 0.839 5.178 4.340 -0.001 0.000 0.289 75 Q C -0.915 175.141 176.000 0.092 0.000 1.097 75 Q CA -0.950 54.899 55.803 0.077 0.000 0.812 75 Q CB 2.440 31.227 28.738 0.081 0.000 1.460 75 Q HN 0.426 nan 8.270 nan 0.000 0.452 76 A N 0.222 123.130 122.820 0.147 0.000 2.449 76 A HA 0.793 5.113 4.320 -0.001 0.000 0.302 76 A C -0.549 177.164 177.584 0.214 0.000 1.048 76 A CA -0.533 51.602 52.037 0.163 0.000 0.708 76 A CB 0.792 19.891 19.000 0.166 0.000 1.274 76 A HN 0.836 nan 8.150 nan 0.000 0.410 77 C N -0.229 119.196 119.300 0.207 0.000 2.971 77 C HA 0.970 5.430 4.460 -0.001 0.000 0.310 77 C C -1.040 174.139 174.990 0.316 0.000 1.285 77 C CA -0.933 58.219 59.018 0.224 0.000 1.593 77 C CB 1.414 29.236 27.740 0.138 0.000 2.076 77 C HN 1.072 nan 8.230 nan 0.000 0.472 78 W N 1.305 122.673 121.300 0.113 0.000 3.097 78 W HA 0.645 5.304 4.660 -0.001 0.000 0.335 78 W C -1.039 175.590 176.519 0.183 0.000 1.114 78 W CA -0.071 57.388 57.345 0.191 0.000 1.231 78 W CB 2.199 31.839 29.460 0.300 0.000 1.388 78 W HN 1.297 nan 8.180 nan 0.000 0.485 79 A N 2.743 125.477 122.820 -0.143 0.000 2.527 79 A HA 0.641 4.961 4.320 -0.001 0.000 0.293 79 A C -0.627 176.894 177.584 -0.105 0.000 1.117 79 A CA -0.432 51.615 52.037 0.016 0.000 0.723 79 A CB 1.873 20.887 19.000 0.024 0.000 1.313 79 A HN 0.453 nan 8.150 nan 0.000 0.411 80 T N 0.014 114.609 114.554 0.068 0.000 2.729 80 T HA 0.493 4.842 4.350 -0.001 0.000 0.298 80 T C 0.676 175.374 174.700 -0.003 0.000 1.013 80 T CA 0.049 62.187 62.100 0.063 0.000 0.957 80 T CB -0.148 68.785 68.868 0.109 0.000 1.130 80 T HN 1.044 nan 8.240 nan 0.000 0.526 81 L N 0.076 121.299 121.223 0.001 0.000 2.474 81 L HA 0.596 4.935 4.340 -0.001 0.000 0.259 81 L C 1.433 178.287 176.870 -0.027 0.000 1.232 81 L CA -0.164 54.666 54.840 -0.016 0.000 0.821 81 L CB -0.914 41.133 42.059 -0.020 0.000 1.108 81 L HN 0.896 nan 8.230 nan 0.000 0.495 82 G N 1.100 109.879 108.800 -0.035 0.000 2.672 82 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.332 82 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.332 82 G C -0.902 173.973 174.900 -0.042 0.000 1.213 82 G CA 0.494 45.565 45.100 -0.049 0.000 0.980 82 G HN 0.820 nan 8.290 nan 0.000 0.548 83 P HA 0.108 nan 4.420 nan 0.000 0.223 83 P C 1.536 178.814 177.300 -0.036 0.000 1.151 83 P CA 1.813 64.892 63.100 -0.036 0.000 0.787 83 P CB -0.573 31.107 31.700 -0.034 0.000 0.788 87 N N 1.665 120.369 118.700 0.007 0.000 2.120 87 N HA 0.115 4.854 4.740 -0.001 0.000 0.188 87 N C 1.655 177.236 175.510 0.119 0.000 1.024 87 N CA 1.446 54.529 53.050 0.055 0.000 0.852 87 N CB -0.519 37.894 38.487 -0.124 0.000 1.003 87 N HN 0.347 nan 8.380 nan 0.000 0.424 88 L N 0.992 122.252 121.223 0.061 0.000 2.201 88 L HA -0.082 4.258 4.340 -0.001 0.000 0.212 88 L C 2.205 179.118 176.870 0.073 0.000 1.105 88 L CA 1.180 56.069 54.840 0.082 0.000 0.775 88 L CB -0.778 41.313 42.059 0.054 0.000 0.913 88 L HN 0.236 nan 8.230 nan 0.000 0.440 89 S N -2.366 113.345 115.700 0.019 0.000 2.400 89 S HA -0.224 4.245 4.470 -0.001 0.000 0.232 89 S C 1.845 176.475 174.600 0.050 0.000 1.025 89 S CA 1.748 59.936 58.200 -0.020 0.000 0.993 89 S CB -1.064 62.091 63.200 -0.076 0.000 0.808 89 S HN 0.534 nan 8.310 nan 0.000 0.478 90 T N 1.404 116.034 114.554 0.127 0.000 2.867 90 T HA 0.082 4.432 4.350 -0.001 0.000 0.268 90 T C 1.957 176.850 174.700 0.323 0.000 1.057 90 T CA 1.255 63.473 62.100 0.196 0.000 1.136 90 T CB -0.969 67.992 68.868 0.155 0.000 0.874 90 T HN 0.651 nan 8.240 nan 0.000 0.466 91 G N 1.221 110.208 108.800 0.312 0.000 2.403 91 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.216 91 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.216 91 G C 1.509 176.455 174.900 0.076 0.000 1.154 91 G CA 0.228 45.414 45.100 0.144 0.000 0.784 91 G HN 0.478 nan 8.290 nan 0.000 0.538 92 I N 1.414 122.021 120.570 0.062 0.000 2.226 92 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 92 I C 3.271 179.404 176.117 0.028 0.000 1.100 92 I CA 1.015 62.332 61.300 0.028 0.000 1.374 92 I CB -0.192 37.796 38.000 -0.020 0.000 1.057 92 I HN 0.239 nan 8.210 nan 0.000 0.413 93 A N 0.302 123.146 122.820 0.040 0.000 1.933 93 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 93 A C 2.372 179.984 177.584 0.045 0.000 1.175 93 A CA 2.325 54.381 52.037 0.032 0.000 0.628 93 A CB -1.027 17.992 19.000 0.031 0.000 0.814 93 A HN 0.382 nan 8.150 nan 0.000 0.444 94 T N -0.493 114.114 114.554 0.089 0.000 2.684 94 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 94 T C 2.295 177.018 174.700 0.037 0.000 1.036 94 T CA 1.873 64.026 62.100 0.088 0.000 1.148 94 T CB -0.378 68.588 68.868 0.163 0.000 0.863 94 T HN 0.570 nan 8.240 nan 0.000 0.436 95 S N 0.166 115.882 115.700 0.026 0.000 2.382 95 S HA -0.084 4.386 4.470 -0.001 0.000 0.228 95 S C 2.162 176.764 174.600 0.003 0.000 1.027 95 S CA 1.170 59.374 58.200 0.006 0.000 0.991 95 S CB -0.536 62.667 63.200 0.006 0.000 0.823 95 S HN 0.274 nan 8.310 nan 0.000 0.469 96 V N 0.939 120.858 119.914 0.008 0.000 2.453 96 V HA 0.057 4.176 4.120 -0.001 0.000 0.247 96 V C 2.115 178.206 176.094 -0.006 0.000 1.048 96 V CA 1.685 63.987 62.300 0.004 0.000 1.049 96 V CB -0.266 31.560 31.823 0.005 0.000 0.672 96 V HN 0.555 nan 8.190 nan 0.000 0.457 97 L N -0.644 120.572 121.223 -0.012 0.000 2.249 97 L HA 0.039 4.379 4.340 -0.001 0.000 0.207 97 L C 1.945 178.791 176.870 -0.041 0.000 1.090 97 L CA 1.083 55.906 54.840 -0.027 0.000 0.802 97 L CB -0.336 41.703 42.059 -0.033 0.000 0.947 97 L HN 0.286 nan 8.230 nan 0.000 0.453 98 D N -0.048 120.331 120.400 -0.036 0.000 2.348 98 D HA 0.007 4.647 4.640 -0.001 0.000 0.211 98 D C -0.155 176.122 176.300 -0.039 0.000 0.998 98 D CA 0.175 54.146 54.000 -0.047 0.000 0.873 98 D CB 0.244 41.015 40.800 -0.047 0.000 0.925 98 D HN -0.025 nan 8.370 nan 0.000 0.524 99 R N 0.347 120.830 120.500 -0.027 0.000 2.650 99 R HA -0.097 4.243 4.340 -0.001 0.000 0.315 99 R C -0.657 175.627 176.300 -0.027 0.000 0.986 99 R CA 0.187 56.275 56.100 -0.020 0.000 0.744 99 R CB -3.148 27.144 30.300 -0.014 0.000 2.072 99 R HN 0.325 nan 8.270 nan 0.000 0.477 100 S N 0.036 115.721 115.700 -0.025 0.000 2.540 100 S HA 0.763 5.232 4.470 -0.001 0.000 0.275 100 S C -2.820 171.770 174.600 -0.018 0.000 1.123 100 S CA -1.651 56.529 58.200 -0.033 0.000 0.907 100 S CB 3.603 66.769 63.200 -0.057 0.000 1.081 100 S HN 0.152 nan 8.310 nan 0.000 0.476 101 P HA 0.317 nan 4.420 nan 0.000 0.256 101 P C -0.832 176.465 177.300 -0.006 0.000 1.689 101 P CA -0.246 62.848 63.100 -0.011 0.000 1.124 101 P CB 0.224 31.916 31.700 -0.014 0.000 1.766 102 V N 5.223 125.141 119.914 0.006 0.000 2.435 102 V HA 0.300 4.419 4.120 -0.001 0.000 0.290 102 V C 0.578 176.699 176.094 0.045 0.000 1.030 102 V CA -0.752 61.562 62.300 0.022 0.000 0.881 102 V CB 1.999 33.832 31.823 0.017 0.000 0.983 102 V HN 0.283 nan 8.190 nan 0.000 0.445 103 I N 4.366 124.969 120.570 0.055 0.000 2.291 103 I HA 0.478 4.647 4.170 -0.001 0.000 0.290 103 I C 0.601 176.785 176.117 0.111 0.000 1.050 103 I CA -0.249 61.093 61.300 0.070 0.000 1.245 103 I CB 0.815 38.842 38.000 0.045 0.000 1.405 103 I HN 0.673 nan 8.210 nan 0.000 0.478 104 A N 8.330 131.237 122.820 0.145 0.000 2.274 104 A HA 0.802 5.121 4.320 -0.001 0.000 0.309 104 A C -0.396 177.263 177.584 0.125 0.000 1.226 104 A CA -0.429 51.723 52.037 0.192 0.000 0.853 104 A CB 0.601 19.764 19.000 0.273 0.000 1.146 104 A HN 0.683 nan 8.150 nan 0.000 0.518 105 L N 2.004 123.237 121.223 0.017 0.000 2.362 105 L HA 0.792 5.131 4.340 -0.001 0.000 0.275 105 L C 0.144 176.723 176.870 -0.485 0.000 0.998 105 L CA -0.395 54.277 54.840 -0.279 0.000 0.820 105 L CB 2.145 44.093 42.059 -0.184 0.000 1.270 105 L HN 0.777 nan 8.230 nan 0.000 0.415 106 A N 2.039 124.545 122.820 -0.524 0.000 2.422 106 A HA 0.889 5.208 4.320 -0.001 0.000 0.302 106 A C -0.313 177.025 177.584 -0.410 0.000 1.041 106 A CA -0.431 51.358 52.037 -0.412 0.000 0.708 106 A CB 1.581 20.627 19.000 0.078 0.000 1.257 106 A HN 0.782 nan 8.150 nan 0.000 0.414 107 A N 0.852 123.464 122.820 -0.346 0.000 2.429 107 A HA 0.557 4.877 4.320 -0.001 0.000 0.242 107 A C 0.204 177.740 177.584 -0.080 0.000 1.088 107 A CA 0.453 52.405 52.037 -0.141 0.000 0.784 107 A CB 0.346 19.350 19.000 0.007 0.000 1.038 107 A HN 1.190 nan 8.150 nan 0.000 0.501 108 Q N -0.394 119.373 119.800 -0.055 0.000 2.501 108 Q HA 0.512 4.851 4.340 -0.001 0.000 0.288 108 Q C -0.507 175.465 176.000 -0.046 0.000 1.051 108 Q CA -0.302 55.473 55.803 -0.048 0.000 0.788 108 Q CB 1.676 30.377 28.738 -0.062 0.000 1.469 108 Q HN 0.756 nan 8.270 nan 0.000 0.416 109 S N 1.764 117.430 115.700 -0.056 0.000 2.554 109 S HA 0.028 4.498 4.470 -0.001 0.000 0.290 109 S C -0.549 173.979 174.600 -0.121 0.000 1.309 109 S CA -0.021 58.136 58.200 -0.073 0.000 1.047 109 S CB 0.034 63.185 63.200 -0.082 0.000 0.828 109 S HN 0.543 nan 8.310 nan 0.000 0.509 110 E N 1.772 121.881 120.200 -0.151 0.000 2.568 110 E HA -0.042 4.307 4.350 -0.001 0.000 0.262 110 E C 1.385 177.776 176.600 -0.348 0.000 0.961 110 E CA 0.575 56.832 56.400 -0.238 0.000 0.945 110 E CB 0.286 29.778 29.700 -0.347 0.000 0.924 110 E HN 0.644 nan 8.360 nan 0.000 0.467 111 S N 3.437 119.011 115.700 -0.211 0.000 2.380 111 S HA -0.313 4.157 4.470 -0.001 0.000 0.229 111 S C 1.656 176.133 174.600 -0.204 0.000 1.043 111 S CA 1.794 59.901 58.200 -0.154 0.000 1.038 111 S CB -0.623 62.553 63.200 -0.041 0.000 0.872 111 S HN 0.778 nan 8.310 nan 0.000 0.456 112 H N -0.247 118.770 119.070 -0.088 0.000 2.555 112 H HA 0.220 4.775 4.556 -0.001 0.000 0.269 112 H C 0.492 175.728 175.328 -0.153 0.000 0.988 112 H CA 1.136 57.128 56.048 -0.093 0.000 1.178 112 H CB -0.347 29.403 29.762 -0.020 0.000 1.373 112 H HN 0.471 nan 8.280 nan 0.000 0.588 113 D N 0.715 120.799 120.400 -0.526 0.000 2.501 113 D HA 0.202 4.842 4.640 -0.001 0.000 0.224 113 D C -0.120 175.904 176.300 -0.460 0.000 1.202 113 D CA -0.312 53.487 54.000 -0.335 0.000 0.829 113 D CB -0.150 40.511 40.800 -0.233 0.000 1.023 113 D HN 0.284 nan 8.370 nan 0.000 0.499 114 I N 1.531 121.721 120.570 -0.635 0.000 2.329 114 I HA 0.143 4.312 4.170 -0.001 0.000 0.295 114 I C -0.604 175.088 176.117 -0.708 0.000 1.109 114 I CA -0.027 60.986 61.300 -0.479 0.000 1.297 114 I CB -0.006 37.813 38.000 -0.302 0.000 1.433 114 I HN -0.107 nan 8.210 nan 0.000 0.509 115 F N 7.236 127.176 119.950 -0.016 0.000 2.691 115 F HA 0.390 4.916 4.527 -0.001 0.000 0.371 115 F C -2.322 173.473 175.800 -0.008 0.000 1.159 115 F CA -2.787 55.209 58.000 -0.006 0.000 1.174 115 F CB 0.743 39.744 39.000 0.002 0.000 1.419 115 F HN 0.240 nan 8.300 nan 0.000 0.514 116 P HA 0.082 nan 4.420 nan 0.000 0.264 116 P C 0.099 177.439 177.300 0.067 0.000 1.193 116 P CA 0.680 63.814 63.100 0.057 0.000 0.763 116 P CB 0.421 32.137 31.700 0.028 0.000 0.810 117 N N 1.078 119.805 118.700 0.045 0.000 2.909 117 N HA -0.162 4.578 4.740 -0.001 0.000 0.242 117 N C 0.199 175.738 175.510 0.049 0.000 0.975 117 N CA 1.319 54.390 53.050 0.035 0.000 0.921 117 N CB -1.508 36.994 38.487 0.025 0.000 1.112 117 N HN 0.514 nan 8.380 nan 0.000 0.581 118 D N -0.894 119.554 120.400 0.081 0.000 2.680 118 D HA 0.079 4.719 4.640 -0.001 0.000 0.295 118 D C 0.138 176.502 176.300 0.106 0.000 1.097 118 D CA 0.633 54.680 54.000 0.078 0.000 0.952 118 D CB 0.043 40.879 40.800 0.060 0.000 1.491 118 D HN 0.037 nan 8.370 nan 0.000 0.486 119 T N 1.190 115.845 114.554 0.168 0.000 2.916 119 T HA -0.002 4.347 4.350 -0.001 0.000 0.303 119 T C 0.198 174.976 174.700 0.130 0.000 1.025 119 T CA 0.042 62.246 62.100 0.173 0.000 1.142 119 T CB 0.456 69.440 68.868 0.194 0.000 0.947 119 T HN 0.093 nan 8.240 nan 0.000 0.544 120 H N 3.087 122.187 119.070 0.051 0.000 3.214 120 H HA -0.064 4.491 4.556 -0.001 0.000 0.291 120 H C 1.106 176.451 175.328 0.029 0.000 0.926 120 H CA 1.224 57.292 56.048 0.034 0.000 1.409 120 H CB -0.152 29.629 29.762 0.031 0.000 1.406 120 H HN 0.800 nan 8.280 nan 0.000 0.561 121 Q N 1.255 120.818 119.800 -0.394 0.000 2.416 121 Q HA -0.275 4.065 4.340 -0.001 0.000 0.235 121 Q C -0.351 175.573 176.000 -0.126 0.000 0.773 121 Q CA 1.062 56.676 55.803 -0.315 0.000 1.286 121 Q CB -1.797 26.695 28.738 -0.410 0.000 1.556 121 Q HN 0.628 nan 8.270 nan 0.000 0.650 122 C N 1.410 120.672 119.300 -0.062 0.000 2.265 122 C HA 0.650 5.109 4.460 -0.001 0.000 0.332 122 C C 0.228 175.208 174.990 -0.017 0.000 1.248 122 C CA -0.459 58.543 59.018 -0.026 0.000 1.727 122 C CB -0.455 27.289 27.740 0.006 0.000 2.348 122 C HN 0.330 nan 8.230 nan 0.000 0.519 123 L N 4.451 125.661 121.223 -0.023 0.000 2.319 123 L HA 0.447 4.787 4.340 -0.001 0.000 0.267 123 L C 0.014 176.876 176.870 -0.013 0.000 1.011 123 L CA -0.533 54.296 54.840 -0.018 0.000 0.818 123 L CB 1.253 43.295 42.059 -0.028 0.000 1.316 123 L HN 0.471 nan 8.230 nan 0.000 0.432 124 D N 0.331 120.723 120.400 -0.013 0.000 2.545 124 D HA 0.076 4.716 4.640 -0.001 0.000 0.227 124 D C 0.907 177.199 176.300 -0.013 0.000 1.150 124 D CA 0.218 54.212 54.000 -0.011 0.000 1.046 124 D CB 0.634 41.427 40.800 -0.011 0.000 1.098 124 D HN 0.449 nan 8.370 nan 0.000 0.502 125 S N 0.771 116.479 115.700 0.013 0.000 2.370 125 S HA -0.150 4.320 4.470 -0.001 0.000 0.226 125 S C 2.161 176.776 174.600 0.025 0.000 1.033 125 S CA 0.776 58.991 58.200 0.025 0.000 1.011 125 S CB 0.058 63.372 63.200 0.191 0.000 0.852 125 S HN 0.428 nan 8.310 nan 0.000 0.457 126 V N 1.935 121.918 119.914 0.115 0.000 2.343 126 V HA -0.187 3.932 4.120 -0.001 0.000 0.247 126 V C 2.651 178.742 176.094 -0.004 0.000 1.051 126 V CA 1.673 64.034 62.300 0.102 0.000 1.036 126 V CB -1.226 30.634 31.823 0.061 0.000 0.654 126 V HN 0.553 nan 8.190 nan 0.000 0.451 127 A N -0.228 122.580 122.820 -0.020 0.000 1.933 127 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 127 A C 2.167 179.716 177.584 -0.058 0.000 1.175 127 A CA 1.789 53.806 52.037 -0.035 0.000 0.628 127 A CB -0.511 18.473 19.000 -0.026 0.000 0.814 127 A HN 0.518 nan 8.150 nan 0.000 0.444 128 I N -0.729 119.792 120.570 -0.082 0.000 2.252 128 I HA -0.164 4.006 4.170 -0.001 0.000 0.245 128 I C 2.093 178.117 176.117 -0.155 0.000 1.102 128 I CA 0.981 62.215 61.300 -0.110 0.000 1.385 128 I CB -0.033 37.896 38.000 -0.119 0.000 1.064 128 I HN 0.151 nan 8.210 nan 0.000 0.414 129 V N 0.389 120.165 119.914 -0.230 0.000 2.725 129 V HA 0.003 4.122 4.120 -0.001 0.000 0.247 129 V C 2.590 178.599 176.094 -0.142 0.000 1.058 129 V CA 1.153 63.276 62.300 -0.295 0.000 1.080 129 V CB -0.491 30.900 31.823 -0.719 0.000 0.713 129 V HN 0.401 nan 8.190 nan 0.000 0.465 130 A N 0.796 123.566 122.820 -0.084 0.000 1.903 130 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 130 A C -0.335 177.229 177.584 -0.033 0.000 1.191 130 A CA 1.559 53.571 52.037 -0.041 0.000 0.638 130 A CB -1.820 17.158 19.000 -0.036 0.000 0.823 130 A HN 0.541 nan 8.150 nan 0.000 0.451 134 K N -0.357 120.100 120.400 0.095 0.000 2.305 134 K HA 0.253 4.572 4.320 -0.001 0.000 0.199 134 K C -0.307 176.410 176.600 0.194 0.000 1.047 134 K CA 1.028 57.382 56.287 0.111 0.000 0.976 134 K CB -0.383 32.172 32.500 0.091 0.000 0.765 134 K HN 0.700 nan 8.250 nan 0.000 0.474 135 Y N -0.910 119.412 120.300 0.037 0.000 2.409 135 Y HA 0.410 4.960 4.550 -0.001 0.000 0.321 135 Y C -2.109 173.841 175.900 0.084 0.000 1.209 135 Y CA -1.123 57.001 58.100 0.041 0.000 1.086 135 Y CB 1.282 39.756 38.460 0.022 0.000 1.320 135 Y HN -0.062 nan 8.280 nan 0.000 0.440 136 A N 4.915 127.521 122.820 -0.358 0.000 2.437 136 A HA 0.798 5.117 4.320 -0.001 0.000 0.293 136 A C -2.207 175.162 177.584 -0.358 0.000 1.038 136 A CA -0.440 51.506 52.037 -0.152 0.000 0.708 136 A CB 1.525 20.570 19.000 0.074 0.000 1.251 136 A HN 1.197 nan 8.150 nan 0.000 0.409 137 V N 1.507 121.243 119.914 -0.298 0.000 3.087 137 V HA 0.641 4.760 4.120 -0.001 0.000 0.306 137 V C -1.041 174.939 176.094 -0.190 0.000 1.187 137 V CA -0.494 61.643 62.300 -0.271 0.000 0.999 137 V CB 2.058 33.682 31.823 -0.332 0.000 1.049 137 V HN 1.022 nan 8.190 nan 0.000 0.431 138 E N 3.663 123.782 120.200 -0.135 0.000 2.166 138 E HA 0.450 4.800 4.350 -0.001 0.000 0.275 138 E C -1.112 175.426 176.600 -0.104 0.000 0.941 138 E CA -0.846 55.479 56.400 -0.125 0.000 0.784 138 E CB 1.814 31.462 29.700 -0.086 0.000 1.115 138 E HN 0.659 nan 8.360 nan 0.000 0.399 139 L N 4.183 125.342 121.223 -0.107 0.000 2.499 139 L HA -0.012 4.328 4.340 -0.001 0.000 0.273 139 L C 0.428 177.259 176.870 -0.066 0.000 1.195 139 L CA 1.193 55.985 54.840 -0.079 0.000 0.882 139 L CB 0.609 42.625 42.059 -0.072 0.000 1.133 139 L HN 0.773 nan 8.230 nan 0.000 0.483 140 Q N 3.349 123.114 119.800 -0.059 0.000 2.459 140 Q HA 0.307 4.647 4.340 -0.001 0.000 0.260 140 Q C -0.198 175.783 176.000 -0.033 0.000 0.828 140 Q CA 0.021 55.798 55.803 -0.044 0.000 0.987 140 Q CB 0.877 29.590 28.738 -0.041 0.000 1.216 140 Q HN 0.576 nan 8.270 nan 0.000 0.558 141 R N 0.706 121.171 120.500 -0.058 0.000 2.451 141 R HA 0.245 4.584 4.340 -0.001 0.000 0.307 141 R C -2.237 174.007 176.300 -0.093 0.000 0.965 141 R CA -1.800 54.269 56.100 -0.051 0.000 0.865 141 R CB 1.516 31.778 30.300 -0.062 0.000 1.174 141 R HN -0.098 nan 8.270 nan 0.000 0.455 142 P HA -0.292 nan 4.420 nan 0.000 0.217 142 P C 0.980 178.282 177.300 0.004 0.000 1.158 142 P CA 1.486 64.594 63.100 0.013 0.000 0.887 142 P CB 0.002 31.738 31.700 0.060 0.000 0.792 143 H N -0.396 118.686 119.070 0.021 0.000 2.521 143 H HA 0.005 4.560 4.556 -0.001 0.000 0.286 143 H C 1.111 176.456 175.328 0.027 0.000 1.034 143 H CA 1.041 57.104 56.048 0.024 0.000 1.278 143 H CB -0.734 29.040 29.762 0.020 0.000 1.386 143 H HN 0.252 nan 8.280 nan 0.000 0.567 144 E N 0.294 120.189 120.200 -0.508 0.000 2.482 144 E HA -0.025 4.324 4.350 -0.001 0.000 0.196 144 E C 1.787 178.323 176.600 -0.107 0.000 1.047 144 E CA 0.126 56.332 56.400 -0.323 0.000 0.869 144 E CB 0.013 29.513 29.700 -0.334 0.000 0.836 144 E HN 0.292 nan 8.360 nan 0.000 0.520 145 I N 1.214 121.748 120.570 -0.061 0.000 2.335 145 I HA -0.280 3.889 4.170 -0.001 0.000 0.251 145 I C 1.933 178.061 176.117 0.018 0.000 1.129 145 I CA 1.609 62.904 61.300 -0.009 0.000 1.402 145 I CB -0.324 37.684 38.000 0.013 0.000 1.069 145 I HN -0.009 nan 8.210 nan 0.000 0.424 146 T N 0.687 115.258 114.554 0.029 0.000 2.674 146 T HA -0.210 4.140 4.350 -0.001 0.000 0.265 146 T C 1.429 176.157 174.700 0.046 0.000 1.039 146 T CA 1.868 63.998 62.100 0.049 0.000 1.150 146 T CB -0.581 68.323 68.868 0.060 0.000 0.864 146 T HN 0.702 nan 8.240 nan 0.000 0.427 147 D N 1.101 121.518 120.400 0.029 0.000 2.224 147 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 147 D C 1.980 178.289 176.300 0.015 0.000 0.965 147 D CA 0.648 54.663 54.000 0.025 0.000 0.852 147 D CB -0.665 40.149 40.800 0.023 0.000 0.947 147 D HN 0.340 nan 8.370 nan 0.000 0.494 148 L N 0.230 121.468 121.223 0.024 0.000 2.056 148 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 148 L C 2.521 179.390 176.870 -0.002 0.000 1.078 148 L CA 0.555 55.431 54.840 0.060 0.000 0.749 148 L CB -0.372 41.731 42.059 0.074 0.000 0.901 148 L HN 0.053 nan 8.230 nan 0.000 0.433 149 V N -0.037 119.877 119.914 0.000 0.000 2.343 149 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 149 V C 2.127 178.157 176.094 -0.107 0.000 1.051 149 V CA 1.908 64.192 62.300 -0.027 0.000 1.036 149 V CB -0.514 31.335 31.823 0.045 0.000 0.654 149 V HN 0.425 nan 8.190 nan 0.000 0.451 150 D N -0.028 120.354 120.400 -0.030 0.000 2.097 150 D HA -0.118 4.522 4.640 -0.001 0.000 0.195 150 D C 2.459 178.658 176.300 -0.168 0.000 0.989 150 D CA 1.693 55.678 54.000 -0.025 0.000 0.827 150 D CB -0.317 40.522 40.800 0.066 0.000 0.966 150 D HN 0.354 nan 8.370 nan 0.000 0.456 151 S N 0.285 115.849 115.700 -0.227 0.000 2.382 151 S HA -0.109 4.361 4.470 -0.001 0.000 0.228 151 S C 2.043 176.144 174.600 -0.832 0.000 1.027 151 S CA 0.984 58.925 58.200 -0.433 0.000 0.991 151 S CB -0.156 62.827 63.200 -0.362 0.000 0.823 151 S HN 0.360 nan 8.310 nan 0.000 0.469 152 A N 1.169 123.512 122.820 -0.795 0.000 1.877 152 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 152 A C 2.333 179.712 177.584 -0.341 0.000 1.186 152 A CA 1.566 53.238 52.037 -0.608 0.000 0.620 152 A CB -0.965 17.911 19.000 -0.207 0.000 0.822 152 A HN 0.339 nan 8.150 nan 0.000 0.443 153 V N 1.008 120.729 119.914 -0.323 0.000 2.343 153 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 153 V C 2.365 178.336 176.094 -0.205 0.000 1.051 153 V CA 2.184 64.305 62.300 -0.298 0.000 1.036 153 V CB -1.082 30.404 31.823 -0.563 0.000 0.654 153 V HN 0.544 nan 8.190 nan 0.000 0.451 154 N N 0.666 119.243 118.700 -0.205 0.000 2.036 154 N HA -0.175 4.564 4.740 -0.001 0.000 0.195 154 N C 1.854 177.297 175.510 -0.112 0.000 1.037 154 N CA 1.972 54.943 53.050 -0.133 0.000 0.855 154 N CB -0.593 37.817 38.487 -0.128 0.000 1.033 154 N HN 0.509 nan 8.380 nan 0.000 0.423 155 A N 0.818 123.543 122.820 -0.157 0.000 1.929 155 A HA 0.284 4.604 4.320 -0.001 0.000 0.216 155 A C 1.416 178.979 177.584 -0.036 0.000 1.176 155 A CA 1.006 53.000 52.037 -0.072 0.000 0.628 155 A CB -0.793 18.185 19.000 -0.036 0.000 0.816 155 A HN 0.384 nan 8.150 nan 0.000 0.444 159 E N 3.401 123.596 120.200 -0.008 0.000 2.384 159 E HA 0.214 4.564 4.350 -0.001 0.000 0.266 159 E C -2.162 174.437 176.600 -0.003 0.000 1.012 159 E CA -1.561 54.835 56.400 -0.007 0.000 0.901 159 E CB 0.463 30.155 29.700 -0.014 0.000 0.967 159 E HN 0.289 nan 8.360 nan 0.000 0.435 160 P HA 0.013 nan 4.420 nan 0.000 0.276 160 P C 0.087 177.389 177.300 0.003 0.000 1.243 160 P CA -0.315 62.786 63.100 0.001 0.000 0.768 160 P CB 0.544 32.246 31.700 0.003 0.000 0.856 161 V N 1.689 121.603 119.914 0.001 0.000 2.872 161 V HA 0.694 4.813 4.120 -0.001 0.000 0.307 161 V C 0.531 176.626 176.094 0.002 0.000 1.072 161 V CA 0.515 62.815 62.300 0.000 0.000 1.148 161 V CB 0.012 31.834 31.823 -0.001 0.000 0.954 161 V HN 0.876 nan 8.190 nan 0.000 0.490 162 G N 3.310 112.113 108.800 0.006 0.000 2.488 162 G HA2 0.648 4.607 3.960 -0.001 0.000 0.301 162 G HA3 0.648 4.607 3.960 -0.001 0.000 0.301 162 G C -3.486 171.428 174.900 0.024 0.000 1.339 162 G CA -0.659 44.448 45.100 0.013 0.000 0.803 162 G HN 0.734 nan 8.290 nan 0.000 0.482 163 P HA 0.491 nan 4.420 nan 0.000 0.282 163 P C -0.703 176.659 177.300 0.105 0.000 1.249 163 P CA -0.240 62.897 63.100 0.062 0.000 0.806 163 P CB 1.864 33.600 31.700 0.061 0.000 0.984 164 S N 1.698 117.477 115.700 0.131 0.000 2.503 164 S HA 0.610 5.080 4.470 -0.001 0.000 0.301 164 S C -1.017 173.748 174.600 0.275 0.000 1.087 164 S CA -0.322 58.013 58.200 0.224 0.000 1.042 164 S CB 0.559 63.854 63.200 0.158 0.000 1.043 164 S HN 0.426 nan 8.310 nan 0.000 0.489 165 F N 3.418 123.449 119.950 0.135 0.000 2.482 165 F HA 0.702 5.228 4.527 -0.001 0.000 0.331 165 F C -1.270 174.554 175.800 0.041 0.000 1.115 165 F CA -1.003 57.025 58.000 0.048 0.000 0.955 165 F CB 0.627 39.623 39.000 -0.008 0.000 1.136 165 F HN 0.433 nan 8.300 nan 0.000 0.452 166 I N 4.801 124.903 120.570 -0.780 0.000 2.418 166 I HA 0.266 4.436 4.170 -0.001 0.000 0.287 166 I C -0.432 175.041 176.117 -1.073 0.000 1.008 166 I CA -0.770 60.112 61.300 -0.696 0.000 1.104 166 I CB 1.912 39.752 38.000 -0.266 0.000 1.264 166 I HN 0.532 nan 8.210 nan 0.000 0.438 167 S N 7.029 122.220 115.700 -0.848 0.000 2.499 167 S HA 0.651 5.121 4.470 -0.001 0.000 0.279 167 S C -0.579 173.848 174.600 -0.289 0.000 1.219 167 S CA -0.443 57.445 58.200 -0.520 0.000 1.062 167 S CB 0.383 63.460 63.200 -0.205 0.000 0.978 167 S HN 0.472 nan 8.310 nan 0.000 0.489 168 L N 6.721 127.803 121.223 -0.234 0.000 2.417 168 L HA 0.397 4.736 4.340 -0.001 0.000 0.259 168 L C -2.465 174.356 176.870 -0.081 0.000 1.023 168 L CA -2.035 52.719 54.840 -0.145 0.000 0.901 168 L CB 1.592 43.566 42.059 -0.142 0.000 1.227 168 L HN 0.444 nan 8.230 nan 0.000 0.454 169 P HA -0.010 nan 4.420 nan 0.000 0.264 169 P C 1.204 178.493 177.300 -0.019 0.000 1.193 169 P CA -0.008 63.060 63.100 -0.053 0.000 0.763 169 P CB 1.108 32.770 31.700 -0.064 0.000 0.810 170 V N 3.425 123.335 119.914 -0.007 0.000 2.324 170 V HA -0.281 3.839 4.120 -0.001 0.000 0.250 170 V C 2.046 178.157 176.094 0.028 0.000 1.060 170 V CA 2.525 64.840 62.300 0.025 0.000 1.042 170 V CB -1.072 30.770 31.823 0.032 0.000 0.650 170 V HN 0.675 nan 8.190 nan 0.000 0.450 171 D N 0.295 120.708 120.400 0.023 0.000 2.117 171 D HA -0.205 4.435 4.640 -0.001 0.000 0.197 171 D C 2.016 178.338 176.300 0.037 0.000 0.987 171 D CA 1.547 55.574 54.000 0.045 0.000 0.829 171 D CB -0.574 40.276 40.800 0.084 0.000 0.961 171 D HN 0.447 nan 8.370 nan 0.000 0.460 172 L N -0.477 120.760 121.223 0.024 0.000 2.109 172 L HA -0.060 4.279 4.340 -0.001 0.000 0.207 172 L C 2.680 179.564 176.870 0.023 0.000 1.086 172 L CA 0.317 55.170 54.840 0.020 0.000 0.760 172 L CB -0.445 41.616 42.059 0.003 0.000 0.910 172 L HN 0.045 nan 8.230 nan 0.000 0.437 173 L N 0.593 121.832 121.223 0.027 0.000 2.079 173 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 173 L C 1.994 178.881 176.870 0.028 0.000 1.081 173 L CA 1.945 56.810 54.840 0.041 0.000 0.752 173 L CB -0.821 41.282 42.059 0.075 0.000 0.896 173 L HN 0.140 nan 8.230 nan 0.000 0.433 174 G N -1.601 107.213 108.800 0.023 0.000 3.314 174 G HA2 0.099 4.058 3.960 -0.001 0.000 0.238 174 G HA3 0.099 4.058 3.960 -0.001 0.000 0.238 174 G C 0.310 175.219 174.900 0.015 0.000 1.184 174 G CA 0.456 45.563 45.100 0.012 0.000 0.806 174 G HN 0.344 nan 8.290 nan 0.000 0.536 175 S N -0.137 115.577 115.700 0.023 0.000 2.525 175 S HA 0.442 4.912 4.470 -0.001 0.000 0.290 175 S C 1.349 175.966 174.600 0.028 0.000 1.152 175 S CA 0.088 58.304 58.200 0.026 0.000 1.072 175 S CB 1.480 64.699 63.200 0.032 0.000 1.027 175 S HN 0.275 nan 8.310 nan 0.000 0.500 176 S N 2.396 118.108 115.700 0.021 0.000 2.540 176 S HA 0.196 4.665 4.470 -0.001 0.000 0.218 176 S C 0.388 175.005 174.600 0.028 0.000 0.977 176 S CA -0.388 57.824 58.200 0.020 0.000 0.918 176 S CB -0.319 62.881 63.200 0.001 0.000 0.806 176 S HN 0.842 nan 8.310 nan 0.000 0.496 177 E N 1.536 121.757 120.200 0.036 0.000 2.606 177 E HA 0.286 4.635 4.350 -0.001 0.000 0.248 177 E C 1.193 177.833 176.600 0.066 0.000 1.005 177 E CA 0.831 57.256 56.400 0.041 0.000 0.946 177 E CB -0.516 29.212 29.700 0.046 0.000 0.928 177 E HN 0.571 nan 8.360 nan 0.000 0.494 178 G N 4.265 113.077 108.800 0.021 0.000 2.184 178 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.264 178 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.264 178 G C 0.233 175.119 174.900 -0.022 0.000 0.975 178 G CA 0.269 45.345 45.100 -0.039 0.000 0.642 178 G HN 0.579 nan 8.290 nan 0.000 0.536 179 I N 1.501 122.091 120.570 0.034 0.000 2.325 179 I HA 0.390 4.560 4.170 -0.001 0.000 0.291 179 I C 0.314 176.436 176.117 0.009 0.000 1.019 179 I CA -0.657 60.671 61.300 0.047 0.000 1.302 179 I CB 1.162 39.202 38.000 0.066 0.000 1.401 179 I HN 0.087 nan 8.210 nan 0.000 0.485 185 N N 1.531 120.241 118.700 0.017 0.000 2.454 185 N HA 0.256 4.995 4.740 -0.001 0.000 0.254 185 N C -1.948 173.562 175.510 -0.000 0.000 1.228 185 N CA -0.508 52.549 53.050 0.012 0.000 0.900 185 N CB -0.306 38.182 38.487 0.003 0.000 1.089 185 N HN 0.321 nan 8.380 nan 0.000 0.449 186 P HA 0.200 nan 4.420 nan 0.000 0.270 186 P C -2.513 174.773 177.300 -0.023 0.000 1.223 186 P CA -0.793 62.305 63.100 -0.003 0.000 0.785 186 P CB -0.572 31.132 31.700 0.008 0.000 0.923 187 P HA 0.010 nan 4.420 nan 0.000 0.265 187 P C 0.616 177.874 177.300 -0.071 0.000 1.187 187 P CA 0.225 63.298 63.100 -0.044 0.000 0.766 187 P CB 0.221 31.906 31.700 -0.025 0.000 0.820 188 A N 3.562 126.295 122.820 -0.144 0.000 1.897 188 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 188 A C 0.718 178.245 177.584 -0.095 0.000 1.181 188 A CA 0.759 52.628 52.037 -0.279 0.000 0.620 188 A CB -0.990 17.625 19.000 -0.642 0.000 0.821 188 A HN 0.655 nan 8.150 nan 0.000 0.443 189 N N 0.563 119.233 118.700 -0.050 0.000 2.705 189 N HA -0.115 4.625 4.740 -0.001 0.000 0.255 189 N C -0.607 174.943 175.510 0.067 0.000 1.008 189 N CA 1.330 54.387 53.050 0.012 0.000 0.742 189 N CB -2.021 36.477 38.487 0.019 0.000 0.906 189 N HN 0.515 nan 8.380 nan 0.000 0.541 190 T N 1.556 116.166 114.554 0.093 0.000 2.853 190 T HA 0.228 4.577 4.350 -0.001 0.000 0.298 190 T C -1.678 173.071 174.700 0.081 0.000 0.978 190 T CA -0.648 61.550 62.100 0.165 0.000 1.152 190 T CB 0.603 69.601 68.868 0.216 0.000 0.914 190 T HN 0.080 nan 8.240 nan 0.000 0.539 191 P HA 0.238 nan 4.420 nan 0.000 0.265 191 P C 0.446 177.767 177.300 0.035 0.000 1.193 191 P CA -0.285 62.837 63.100 0.035 0.000 0.765 191 P CB 0.471 32.183 31.700 0.021 0.000 0.823 192 A N 3.877 126.716 122.820 0.030 0.000 1.968 192 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 192 A C 0.856 178.458 177.584 0.029 0.000 1.169 192 A CA 1.297 53.352 52.037 0.030 0.000 0.638 192 A CB -0.476 18.540 19.000 0.026 0.000 0.812 192 A HN 0.669 nan 8.150 nan 0.000 0.446 193 K N -1.269 119.145 120.400 0.024 0.000 2.509 193 K HA 0.597 4.917 4.320 -0.001 0.000 0.266 193 K C -3.403 173.206 176.600 0.014 0.000 0.987 193 K CA -2.110 54.190 56.287 0.022 0.000 0.868 193 K CB 0.871 33.383 32.500 0.021 0.000 1.421 193 K HN -0.214 nan 8.250 nan 0.000 0.444 194 P HA -0.004 nan 4.420 nan 0.000 0.265 194 P C -0.608 176.690 177.300 -0.005 0.000 1.193 194 P CA -0.448 62.653 63.100 0.003 0.000 0.765 194 P CB 0.519 32.221 31.700 0.003 0.000 0.823 195 V N 2.991 122.901 119.914 -0.007 0.000 2.740 195 V HA 0.410 4.529 4.120 -0.001 0.000 0.303 195 V C 1.143 177.226 176.094 -0.019 0.000 1.054 195 V CA 0.752 63.046 62.300 -0.011 0.000 1.106 195 V CB 0.473 32.291 31.823 -0.008 0.000 0.957 195 V HN 0.822 nan 8.190 nan 0.000 0.486 196 G N 2.824 111.607 108.800 -0.029 0.000 2.569 196 G HA2 0.610 4.569 3.960 -0.001 0.000 0.300 196 G HA3 0.610 4.569 3.960 -0.001 0.000 0.300 196 G C -1.101 173.771 174.900 -0.046 0.000 1.269 196 G CA -0.685 44.389 45.100 -0.043 0.000 0.959 196 G HN 0.558 nan 8.290 nan 0.000 0.478 197 V N 0.136 120.019 119.914 -0.050 0.000 2.583 197 V HA 0.446 4.566 4.120 -0.001 0.000 0.287 197 V C -0.089 175.959 176.094 -0.078 0.000 1.051 197 V CA -0.336 61.937 62.300 -0.045 0.000 1.010 197 V CB 1.200 33.003 31.823 -0.033 0.000 0.988 197 V HN 0.452 nan 8.190 nan 0.000 0.478 198 V N 3.919 123.800 119.914 -0.055 0.000 2.525 198 V HA 0.668 4.788 4.120 -0.001 0.000 0.299 198 V C 0.276 176.390 176.094 0.032 0.000 1.034 198 V CA -0.652 61.606 62.300 -0.070 0.000 0.863 198 V CB 1.715 33.492 31.823 -0.077 0.000 0.999 198 V HN 1.020 nan 8.190 nan 0.000 0.423 199 A N 2.942 125.803 122.820 0.068 0.000 2.354 199 A HA 0.520 4.840 4.320 -0.001 0.000 0.269 199 A C -0.003 177.705 177.584 0.207 0.000 1.109 199 A CA -0.240 51.866 52.037 0.115 0.000 0.800 199 A CB 0.317 19.372 19.000 0.092 0.000 1.045 199 A HN 0.935 nan 8.150 nan 0.000 0.489 200 D N 1.127 121.605 120.400 0.129 0.000 2.458 200 D HA 0.376 5.015 4.640 -0.001 0.000 0.243 200 D C 1.309 177.654 176.300 0.076 0.000 1.146 200 D CA 1.862 55.924 54.000 0.103 0.000 0.877 200 D CB 0.255 41.088 40.800 0.054 0.000 1.176 200 D HN 1.240 nan 8.370 nan 0.000 0.461 201 G N 3.739 112.545 108.800 0.011 0.000 2.136 201 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.242 201 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.242 201 G C 1.023 175.898 174.900 -0.042 0.000 0.989 201 G CA 0.454 45.521 45.100 -0.056 0.000 0.682 201 G HN 0.707 nan 8.290 nan 0.000 0.522 202 W N 0.022 121.301 121.300 -0.035 0.000 2.392 202 W HA -0.065 4.594 4.660 -0.001 0.000 0.279 202 W C 1.418 177.891 176.519 -0.078 0.000 1.225 202 W CA 1.350 58.669 57.345 -0.042 0.000 1.233 202 W CB -0.627 28.812 29.460 -0.035 0.000 1.122 202 W HN 0.395 nan 8.180 nan 0.000 0.561 203 Q N 1.448 120.619 119.800 -1.048 0.000 2.124 203 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 203 Q C 2.325 178.070 176.000 -0.424 0.000 0.977 203 Q CA 2.412 57.497 55.803 -1.197 0.000 0.850 203 Q CB -0.533 27.495 28.738 -1.182 0.000 0.901 203 Q HN 0.348 nan 8.270 nan 0.000 0.429 204 K N 0.087 120.349 120.400 -0.230 0.000 2.097 204 K HA -0.071 4.248 4.320 -0.001 0.000 0.205 204 K C 1.952 178.562 176.600 0.018 0.000 1.050 204 K CA 1.042 57.290 56.287 -0.064 0.000 0.938 204 K CB -0.131 32.339 32.500 -0.051 0.000 0.718 204 K HN 0.205 nan 8.250 nan 0.000 0.442 205 A N 1.184 124.027 122.820 0.037 0.000 1.902 205 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 205 A C 2.340 180.037 177.584 0.188 0.000 1.181 205 A CA 1.816 53.914 52.037 0.101 0.000 0.623 205 A CB -0.833 18.234 19.000 0.110 0.000 0.818 205 A HN 0.467 nan 8.150 nan 0.000 0.443 206 A N 0.019 122.994 122.820 0.258 0.000 1.933 206 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 206 A C 1.717 179.568 177.584 0.445 0.000 1.175 206 A CA 1.929 54.256 52.037 0.483 0.000 0.628 206 A CB -0.566 18.753 19.000 0.532 0.000 0.814 206 A HN 0.471 nan 8.150 nan 0.000 0.444 207 D N -0.461 120.104 120.400 0.275 0.000 2.178 207 D HA -0.122 4.518 4.640 -0.001 0.000 0.202 207 D C 2.129 178.542 176.300 0.188 0.000 0.974 207 D CA 1.279 55.406 54.000 0.212 0.000 0.841 207 D CB -0.386 40.496 40.800 0.138 0.000 0.953 207 D HN 0.631 nan 8.370 nan 0.000 0.478 208 Q N 0.205 120.107 119.800 0.170 0.000 2.167 208 Q HA -0.008 4.331 4.340 -0.001 0.000 0.202 208 Q C 2.150 178.267 176.000 0.195 0.000 0.970 208 Q CA 1.204 57.094 55.803 0.145 0.000 0.855 208 Q CB -0.024 28.774 28.738 0.101 0.000 0.911 208 Q HN 0.214 nan 8.270 nan 0.000 0.438 209 A N 0.982 123.971 122.820 0.282 0.000 1.930 209 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 209 A C 2.270 180.164 177.584 0.517 0.000 1.175 209 A CA 1.443 53.705 52.037 0.375 0.000 0.627 209 A CB -0.678 18.583 19.000 0.435 0.000 0.815 209 A HN 0.385 nan 8.150 nan 0.000 0.443 210 A N -0.073 123.043 122.820 0.492 0.000 1.902 210 A HA 0.176 4.496 4.320 -0.001 0.000 0.217 210 A C 2.477 180.257 177.584 0.326 0.000 1.181 210 A CA 1.970 54.140 52.037 0.222 0.000 0.623 210 A CB -0.943 17.991 19.000 -0.111 0.000 0.818 210 A HN 1.022 nan 8.150 nan 0.000 0.443 211 A N -0.247 122.718 122.820 0.242 0.000 1.933 211 A HA -0.016 4.303 4.320 -0.001 0.000 0.218 211 A C 2.141 179.803 177.584 0.131 0.000 1.175 211 A CA 1.417 53.553 52.037 0.165 0.000 0.628 211 A CB -0.549 18.518 19.000 0.111 0.000 0.814 211 A HN 0.476 nan 8.150 nan 0.000 0.444 212 L N -1.174 120.145 121.223 0.160 0.000 2.093 212 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 212 L C 2.540 179.497 176.870 0.145 0.000 1.085 212 L CA 1.042 55.959 54.840 0.129 0.000 0.755 212 L CB -0.519 41.617 42.059 0.127 0.000 0.904 212 L HN 0.451 nan 8.230 nan 0.000 0.435 213 L N 0.324 121.695 121.223 0.247 0.000 2.046 213 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 213 L C 2.664 179.630 176.870 0.160 0.000 1.077 213 L CA 1.903 56.907 54.840 0.275 0.000 0.747 213 L CB -0.667 41.657 42.059 0.441 0.000 0.896 213 L HN 0.140 nan 8.230 nan 0.000 0.432 214 A N -0.786 122.077 122.820 0.071 0.000 1.908 214 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 214 A C 2.125 179.591 177.584 -0.197 0.000 1.181 214 A CA 1.876 53.697 52.037 -0.361 0.000 0.627 214 A CB -0.537 18.144 19.000 -0.531 0.000 0.818 214 A HN 0.530 nan 8.150 nan 0.000 0.445 215 E N 0.011 120.162 120.200 -0.083 0.000 2.285 215 E HA 0.167 4.516 4.350 -0.001 0.000 0.194 215 E C 1.045 177.618 176.600 -0.045 0.000 0.997 215 E CA 0.669 57.032 56.400 -0.061 0.000 0.845 215 E CB -0.631 29.053 29.700 -0.027 0.000 0.782 215 E HN 0.549 nan 8.360 nan 0.000 0.491 216 A N 1.430 124.240 122.820 -0.017 0.000 2.440 216 A HA 0.093 4.412 4.320 -0.001 0.000 0.251 216 A C 1.012 178.550 177.584 -0.077 0.000 1.089 216 A CA -0.004 52.025 52.037 -0.014 0.000 0.779 216 A CB 0.468 19.489 19.000 0.035 0.000 1.022 216 A HN -0.016 nan 8.150 nan 0.000 0.492 217 K N 0.308 120.620 120.400 -0.146 0.000 2.202 217 K HA 0.058 4.378 4.320 -0.001 0.000 0.201 217 K C -0.287 175.946 176.600 -0.611 0.000 1.051 217 K CA 0.750 56.804 56.287 -0.389 0.000 0.977 217 K CB 0.157 32.377 32.500 -0.467 0.000 0.792 217 K HN 0.803 nan 8.250 nan 0.000 0.469 218 H N 0.766 119.864 119.070 0.047 0.000 2.380 218 H HA 0.245 4.801 4.556 -0.001 0.000 0.231 218 H C -2.648 172.705 175.328 0.041 0.000 1.415 218 H CA -2.104 53.980 56.048 0.061 0.000 1.433 218 H CB 0.738 30.523 29.762 0.038 0.000 1.544 218 H HN 0.112 nan 8.280 nan 0.000 0.503 219 P HA 0.179 nan 4.420 nan 0.000 0.276 219 P C 0.085 177.440 177.300 0.093 0.000 1.252 219 P CA -0.461 62.695 63.100 0.094 0.000 0.802 219 P CB 2.200 33.961 31.700 0.102 0.000 1.035 220 V N -1.502 118.449 119.914 0.061 0.000 3.007 220 V HA 0.563 4.683 4.120 -0.001 0.000 0.311 220 V C -0.713 175.389 176.094 0.013 0.000 1.120 220 V CA -1.166 61.159 62.300 0.042 0.000 0.980 220 V CB 1.764 33.644 31.823 0.095 0.000 1.033 220 V HN 0.255 nan 8.190 nan 0.000 0.429 221 L N 3.186 124.410 121.223 0.002 0.000 2.272 221 L HA 0.616 4.955 4.340 -0.001 0.000 0.289 221 L C -0.500 176.376 176.870 0.010 0.000 1.032 221 L CA -0.694 54.143 54.840 -0.004 0.000 0.810 221 L CB 1.715 43.776 42.059 0.004 0.000 1.205 221 L HN 0.550 nan 8.230 nan 0.000 0.422 222 V N 5.043 124.955 119.914 -0.003 0.000 2.318 222 V HA 0.268 4.388 4.120 -0.001 0.000 0.271 222 V C 0.116 176.239 176.094 0.049 0.000 1.030 222 V CA -0.515 61.814 62.300 0.047 0.000 0.844 222 V CB 1.665 33.504 31.823 0.027 0.000 1.015 222 V HN 0.413 nan 8.190 nan 0.000 0.460 223 V N 4.778 124.726 119.914 0.057 0.000 2.394 223 V HA 0.736 4.856 4.120 -0.001 0.000 0.282 223 V C 0.838 176.962 176.094 0.050 0.000 1.031 223 V CA -0.144 62.180 62.300 0.040 0.000 0.881 223 V CB 1.479 33.312 31.823 0.017 0.000 0.982 223 V HN 0.867 nan 8.190 nan 0.000 0.451 224 G N 2.425 111.249 108.800 0.040 0.000 2.552 224 G HA2 0.556 4.516 3.960 -0.001 0.000 0.324 224 G HA3 0.556 4.516 3.960 -0.001 0.000 0.324 224 G C 0.896 175.815 174.900 0.031 0.000 1.217 224 G CA -0.016 45.099 45.100 0.025 0.000 0.989 224 G HN 0.895 nan 8.290 nan 0.000 0.490 225 A N -0.202 122.652 122.820 0.057 0.000 2.019 225 A HA 0.159 4.479 4.320 -0.001 0.000 0.219 225 A C 2.631 180.277 177.584 0.104 0.000 1.164 225 A CA 2.354 54.469 52.037 0.129 0.000 0.644 225 A CB -0.680 18.452 19.000 0.220 0.000 0.805 225 A HN 1.338 nan 8.150 nan 0.000 0.449 226 A N -0.094 122.757 122.820 0.051 0.000 1.978 226 A HA 0.115 4.435 4.320 -0.001 0.000 0.220 226 A C 2.419 180.018 177.584 0.024 0.000 1.170 226 A CA 1.956 54.014 52.037 0.034 0.000 0.636 226 A CB -0.826 18.178 19.000 0.008 0.000 0.810 226 A HN 1.054 nan 8.150 nan 0.000 0.448 227 A N -0.061 122.768 122.820 0.014 0.000 1.969 227 A HA -0.037 4.283 4.320 -0.001 0.000 0.218 227 A C 2.063 179.642 177.584 -0.008 0.000 1.169 227 A CA 1.427 53.466 52.037 0.003 0.000 0.635 227 A CB -0.535 18.464 19.000 -0.001 0.000 0.810 227 A HN 0.528 nan 8.150 nan 0.000 0.445 228 I N -1.078 119.480 120.570 -0.021 0.000 2.252 228 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 228 I C 2.686 178.817 176.117 0.024 0.000 1.102 228 I CA 1.077 62.338 61.300 -0.065 0.000 1.385 228 I CB -0.397 37.450 38.000 -0.256 0.000 1.064 228 I HN 0.243 nan 8.210 nan 0.000 0.414 229 R N 0.206 120.759 120.500 0.087 0.000 2.105 229 R HA -0.153 4.187 4.340 -0.001 0.000 0.239 229 R C 2.430 178.758 176.300 0.046 0.000 1.135 229 R CA 1.574 57.729 56.100 0.091 0.000 0.967 229 R CB -0.449 29.902 30.300 0.085 0.000 0.861 229 R HN 0.236 nan 8.270 nan 0.000 0.442 230 S N -0.540 115.176 115.700 0.026 0.000 2.515 230 S HA -0.010 4.459 4.470 -0.001 0.000 0.231 230 S C 1.080 175.687 174.600 0.012 0.000 0.987 230 S CA 0.874 59.081 58.200 0.011 0.000 0.936 230 S CB -0.063 63.137 63.200 0.000 0.000 0.766 230 S HN 0.648 nan 8.310 nan 0.000 0.528 231 G N 0.189 108.996 108.800 0.013 0.000 2.182 231 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.248 231 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.248 231 G C 0.423 175.324 174.900 0.002 0.000 1.042 231 G CA 0.209 45.313 45.100 0.007 0.000 0.775 231 G HN 0.925 nan 8.290 nan 0.000 0.501 232 A N -0.950 121.870 122.820 -0.002 0.000 2.387 232 A HA 0.643 4.963 4.320 -0.001 0.000 0.234 232 A C 2.148 179.728 177.584 -0.007 0.000 1.253 232 A CA 1.314 53.354 52.037 0.005 0.000 0.894 232 A CB 0.202 19.215 19.000 0.021 0.000 0.963 232 A HN 0.908 nan 8.150 nan 0.000 0.508 233 V N 1.128 121.026 119.914 -0.027 0.000 2.233 233 V HA -0.164 3.956 4.120 -0.001 0.000 0.247 233 V C -0.081 175.995 176.094 -0.030 0.000 1.050 233 V CA 2.675 64.949 62.300 -0.043 0.000 1.010 233 V CB -1.390 30.389 31.823 -0.074 0.000 0.637 233 V HN 0.375 nan 8.190 nan 0.000 0.444 234 P HA -0.157 nan 4.420 nan 0.000 0.215 234 P C 1.656 178.954 177.300 -0.003 0.000 1.153 234 P CA 2.048 65.142 63.100 -0.011 0.000 0.853 234 P CB -0.168 31.530 31.700 -0.003 0.000 0.788 235 A N -0.813 122.008 122.820 0.002 0.000 1.898 235 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 235 A C 2.216 179.809 177.584 0.015 0.000 1.181 235 A CA 1.382 53.425 52.037 0.010 0.000 0.620 235 A CB -1.579 17.430 19.000 0.016 0.000 0.819 235 A HN 0.108 nan 8.150 nan 0.000 0.442 236 I N -0.892 119.686 120.570 0.013 0.000 2.226 236 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 236 I C 2.698 178.815 176.117 -0.001 0.000 1.100 236 I CA 1.714 63.024 61.300 0.017 0.000 1.374 236 I CB -0.280 37.725 38.000 0.009 0.000 1.057 236 I HN 0.389 nan 8.210 nan 0.000 0.413 237 R N 1.281 121.767 120.500 -0.023 0.000 2.081 237 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 237 R C 2.333 178.631 176.300 -0.003 0.000 1.131 237 R CA 1.691 57.764 56.100 -0.045 0.000 0.960 237 R CB -0.269 29.994 30.300 -0.062 0.000 0.856 237 R HN 0.352 nan 8.270 nan 0.000 0.436 238 A N 1.068 123.894 122.820 0.010 0.000 1.930 238 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 238 A C 2.039 179.638 177.584 0.025 0.000 1.175 238 A CA 1.190 53.239 52.037 0.021 0.000 0.627 238 A CB -0.542 18.466 19.000 0.014 0.000 0.815 238 A HN 0.410 nan 8.150 nan 0.000 0.443 239 L N -0.240 121.000 121.223 0.028 0.000 2.017 239 L HA -0.035 4.304 4.340 -0.001 0.000 0.208 239 L C 2.644 179.547 176.870 0.054 0.000 1.073 239 L CA 2.267 57.133 54.840 0.044 0.000 0.745 239 L CB -0.737 41.368 42.059 0.078 0.000 0.894 239 L HN 0.314 nan 8.230 nan 0.000 0.432 240 A N -0.829 122.018 122.820 0.045 0.000 1.902 240 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 240 A C 2.176 179.795 177.584 0.057 0.000 1.181 240 A CA 1.802 53.863 52.037 0.041 0.000 0.623 240 A CB -0.659 18.342 19.000 0.002 0.000 0.818 240 A HN 0.612 nan 8.150 nan 0.000 0.443 241 E N -0.866 119.375 120.200 0.069 0.000 2.051 241 E HA -0.206 4.144 4.350 -0.001 0.000 0.192 241 E C 2.322 178.961 176.600 0.066 0.000 0.991 241 E CA 1.221 57.680 56.400 0.098 0.000 0.799 241 E CB -0.173 29.597 29.700 0.117 0.000 0.748 241 E HN 0.610 nan 8.360 nan 0.000 0.449 242 R N 0.737 121.265 120.500 0.048 0.000 2.081 242 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 242 R C 1.873 178.198 176.300 0.042 0.000 1.131 242 R CA 1.178 57.298 56.100 0.035 0.000 0.960 242 R CB -0.029 30.281 30.300 0.016 0.000 0.856 242 R HN 0.162 nan 8.270 nan 0.000 0.436 243 L N 0.310 121.564 121.223 0.052 0.000 2.607 243 L HA 0.134 4.474 4.340 -0.001 0.000 0.228 243 L C 0.167 177.076 176.870 0.066 0.000 1.123 243 L CA -0.139 54.741 54.840 0.067 0.000 0.890 243 L CB 0.039 42.150 42.059 0.086 0.000 1.103 243 L HN 0.326 nan 8.230 nan 0.000 0.468 244 N N 1.148 119.884 118.700 0.059 0.000 2.758 244 N HA -0.206 4.533 4.740 -0.001 0.000 0.248 244 N C -0.570 174.962 175.510 0.037 0.000 1.076 244 N CA 0.439 53.521 53.050 0.054 0.000 0.696 244 N CB -1.263 37.258 38.487 0.056 0.000 0.979 244 N HN 0.309 nan 8.380 nan 0.000 0.550 245 I N 0.497 121.083 120.570 0.028 0.000 2.315 245 I HA 0.342 4.512 4.170 -0.001 0.000 0.291 245 I C -1.848 174.212 176.117 -0.096 0.000 1.006 245 I CA -2.042 59.257 61.300 -0.001 0.000 1.265 245 I CB 1.286 39.315 38.000 0.049 0.000 1.387 245 I HN -0.017 nan 8.210 nan 0.000 0.475 246 P HA 0.032 nan 4.420 nan 0.000 0.267 246 P C -0.725 176.416 177.300 -0.265 0.000 1.200 246 P CA -0.067 62.702 63.100 -0.550 0.000 0.772 246 P CB 0.602 31.580 31.700 -1.203 0.000 0.855 247 V N 5.184 124.990 119.914 -0.181 0.000 2.357 247 V HA 0.366 4.486 4.120 -0.001 0.000 0.284 247 V C 0.356 176.455 176.094 0.009 0.000 1.018 247 V CA -0.292 61.972 62.300 -0.060 0.000 0.841 247 V CB 0.879 32.670 31.823 -0.054 0.000 0.991 247 V HN 0.390 nan 8.190 nan 0.000 0.437 248 I N 4.524 125.119 120.570 0.043 0.000 2.493 248 I HA 0.638 4.807 4.170 -0.001 0.000 0.298 248 I C 0.355 176.537 176.117 0.110 0.000 0.998 248 I CA -0.244 61.116 61.300 0.100 0.000 1.137 248 I CB 2.475 40.556 38.000 0.135 0.000 1.310 248 I HN 0.729 nan 8.210 nan 0.000 0.445 249 T N 0.276 114.902 114.554 0.120 0.000 2.930 249 T HA 0.565 4.915 4.350 -0.001 0.000 0.290 249 T C 0.061 174.852 174.700 0.153 0.000 1.052 249 T CA -0.715 61.455 62.100 0.117 0.000 1.017 249 T CB 1.715 70.638 68.868 0.093 0.000 1.137 249 T HN 0.662 nan 8.240 nan 0.000 0.511 250 T N 0.048 114.676 114.554 0.123 0.000 2.698 250 T HA 0.224 4.573 4.350 -0.001 0.000 0.295 250 T C 0.956 175.786 174.700 0.217 0.000 1.007 250 T CA -0.435 61.718 62.100 0.088 0.000 0.980 250 T CB -0.092 68.760 68.868 -0.027 0.000 1.036 250 T HN 0.545 nan 8.240 nan 0.000 0.526 251 Y N 0.612 120.997 120.300 0.142 0.000 2.081 251 Y HA -0.046 4.504 4.550 -0.001 0.000 0.280 251 Y C 2.404 178.478 175.900 0.291 0.000 1.163 251 Y CA 1.036 59.262 58.100 0.209 0.000 1.135 251 Y CB -1.280 37.301 38.460 0.202 0.000 0.970 251 Y HN 0.706 nan 8.280 nan 0.000 0.498 252 I N -2.841 117.950 120.570 0.369 0.000 3.883 252 I HA 0.438 4.607 4.170 -0.001 0.000 0.326 252 I C 1.716 178.019 176.117 0.310 0.000 1.283 252 I CA 0.747 62.264 61.300 0.362 0.000 1.161 252 I CB -0.202 37.983 38.000 0.308 0.000 1.012 252 I HN -0.010 nan 8.210 nan 0.000 0.421 253 A N 1.035 123.974 122.820 0.198 0.000 2.251 253 A HA 0.181 4.501 4.320 -0.001 0.000 0.209 253 A C 0.964 178.593 177.584 0.074 0.000 1.187 253 A CA -0.172 51.914 52.037 0.082 0.000 0.823 253 A CB -0.410 18.623 19.000 0.056 0.000 0.846 253 A HN 0.390 nan 8.150 nan 0.000 0.486 254 K N -0.329 120.161 120.400 0.150 0.000 2.511 254 K HA 0.270 4.589 4.320 -0.001 0.000 0.280 254 K C 1.153 177.802 176.600 0.081 0.000 1.008 254 K CA 0.983 57.342 56.287 0.121 0.000 1.050 254 K CB 0.040 32.639 32.500 0.166 0.000 0.889 254 K HN 0.615 nan 8.250 nan 0.000 0.484 255 G N 0.944 109.767 108.800 0.038 0.000 2.176 255 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.232 255 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.232 255 G C 0.677 175.555 174.900 -0.036 0.000 0.986 255 G CA 0.169 45.276 45.100 0.013 0.000 0.643 255 G HN 0.542 nan 8.290 nan 0.000 0.522 256 V N -1.681 118.201 119.914 -0.054 0.000 2.759 256 V HA 0.407 4.527 4.120 -0.001 0.000 0.256 256 V C 1.237 177.278 176.094 -0.089 0.000 1.080 256 V CA 1.517 63.767 62.300 -0.082 0.000 1.101 256 V CB -0.354 31.422 31.823 -0.079 0.000 0.698 256 V HN 0.454 nan 8.190 nan 0.000 0.477 257 L N 0.285 121.457 121.223 -0.086 0.000 2.354 257 L HA 0.598 4.938 4.340 -0.001 0.000 0.269 257 L C -2.516 174.338 176.870 -0.025 0.000 1.005 257 L CA -2.254 52.510 54.840 -0.127 0.000 0.819 257 L CB 2.088 43.991 42.059 -0.260 0.000 1.311 257 L HN -0.052 nan 8.230 nan 0.000 0.423 258 P HA 0.043 nan 4.420 nan 0.000 0.271 258 P C -0.598 176.753 177.300 0.084 0.000 1.233 258 P CA -0.402 62.736 63.100 0.064 0.000 0.789 258 P CB 0.444 32.199 31.700 0.091 0.000 0.951 259 V N 1.505 121.457 119.914 0.063 0.000 2.599 259 V HA 0.256 4.376 4.120 -0.001 0.000 0.300 259 V C 1.701 177.836 176.094 0.069 0.000 1.034 259 V CA 1.907 64.242 62.300 0.059 0.000 1.115 259 V CB -0.522 31.327 31.823 0.044 0.000 0.934 259 V HN 1.046 nan 8.190 nan 0.000 0.485 260 G N 2.732 111.574 108.800 0.069 0.000 2.217 260 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.246 260 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.246 260 G C 0.375 175.317 174.900 0.071 0.000 0.990 260 G CA 0.238 45.370 45.100 0.054 0.000 0.627 260 G HN 0.917 nan 8.290 nan 0.000 0.522 261 H N 2.263 121.349 119.070 0.026 0.000 2.964 261 H HA 0.157 4.712 4.556 -0.001 0.000 0.328 261 H C 1.912 177.272 175.328 0.052 0.000 1.030 261 H CA 1.156 57.224 56.048 0.035 0.000 1.445 261 H CB 0.703 30.486 29.762 0.034 0.000 1.449 261 H HN 0.682 nan 8.280 nan 0.000 0.581 262 E N 4.386 124.574 120.200 -0.020 0.000 2.204 262 E HA -0.137 4.212 4.350 -0.001 0.000 0.195 262 E C 1.042 177.821 176.600 0.299 0.000 0.990 262 E CA 0.943 57.400 56.400 0.095 0.000 0.821 262 E CB 0.025 29.725 29.700 -0.000 0.000 0.750 262 E HN 0.618 nan 8.360 nan 0.000 0.477 263 L N 0.901 122.412 121.223 0.480 0.000 2.592 263 L HA 0.120 4.459 4.340 -0.001 0.000 0.227 263 L C 0.891 177.917 176.870 0.261 0.000 1.127 263 L CA -0.361 54.666 54.840 0.310 0.000 0.884 263 L CB -0.208 41.970 42.059 0.197 0.000 1.065 263 L HN 0.048 nan 8.230 nan 0.000 0.457 264 N N 0.090 118.971 118.700 0.300 0.000 2.466 264 N HA -0.069 4.670 4.740 -0.001 0.000 0.263 264 N C 0.338 176.006 175.510 0.263 0.000 1.178 264 N CA 0.157 53.324 53.050 0.196 0.000 0.983 264 N CB 0.192 38.761 38.487 0.138 0.000 1.331 264 N HN 0.042 nan 8.380 nan 0.000 0.500 265 Y N 1.680 121.968 120.300 -0.021 0.000 2.490 265 Y HA 0.274 4.824 4.550 -0.001 0.000 0.281 265 Y C 1.685 177.547 175.900 -0.063 0.000 1.174 265 Y CA 0.367 58.433 58.100 -0.056 0.000 1.295 265 Y CB -0.228 38.185 38.460 -0.079 0.000 1.062 265 Y HN 0.610 nan 8.280 nan 0.000 0.522 266 G N -0.222 108.631 108.800 0.088 0.000 2.592 266 G HA2 0.189 4.148 3.960 -0.001 0.000 0.684 266 G HA3 0.189 4.148 3.960 -0.001 0.000 0.684 266 G C -0.762 174.163 174.900 0.041 0.000 1.291 266 G CA -0.767 44.343 45.100 0.016 0.000 0.891 266 G HN 0.462 nan 8.290 nan 0.000 0.544 267 A N -1.027 121.803 122.820 0.018 0.000 2.279 267 A HA 0.849 5.169 4.320 -0.001 0.000 0.303 267 A C 0.295 177.943 177.584 0.107 0.000 1.108 267 A CA -0.006 52.082 52.037 0.085 0.000 0.830 267 A CB 1.497 20.552 19.000 0.092 0.000 1.106 267 A HN 1.879 nan 8.150 nan 0.000 0.493 268 V N 0.809 120.849 119.914 0.211 0.000 2.472 268 V HA 0.687 4.806 4.120 -0.001 0.000 0.290 268 V C 0.403 176.703 176.094 0.343 0.000 1.037 268 V CA -0.082 62.370 62.300 0.253 0.000 0.908 268 V CB 1.549 33.582 31.823 0.350 0.000 0.985 268 V HN 1.037 nan 8.190 nan 0.000 0.454 269 T N 2.277 117.002 114.554 0.285 0.000 2.916 269 T HA 0.496 4.846 4.350 -0.001 0.000 0.298 269 T C 1.150 175.999 174.700 0.249 0.000 1.031 269 T CA 0.240 62.577 62.100 0.394 0.000 0.993 269 T CB 1.670 70.757 68.868 0.366 0.000 1.045 269 T HN 0.843 nan 8.240 nan 0.000 0.454 270 G N 2.205 111.141 108.800 0.228 0.000 2.499 270 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.221 270 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.221 270 G C 0.197 175.072 174.900 -0.041 0.000 1.109 270 G CA 0.926 46.051 45.100 0.041 0.000 0.749 270 G HN 0.672 nan 8.290 nan 0.000 0.568 274 G N 1.129 109.558 108.800 -0.618 0.000 2.408 274 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.217 274 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.217 274 G C 1.611 176.232 174.900 -0.465 0.000 1.150 274 G CA 0.693 45.061 45.100 -1.220 0.000 0.776 274 G HN 0.288 nan 8.290 nan 0.000 0.542 275 I N 0.153 120.625 120.570 -0.163 0.000 2.233 275 I HA -0.029 4.140 4.170 -0.001 0.000 0.243 275 I C 2.453 178.497 176.117 -0.122 0.000 1.093 275 I CA 0.722 62.007 61.300 -0.024 0.000 1.380 275 I CB -0.085 37.712 38.000 -0.340 0.000 1.067 275 I HN 0.084 nan 8.210 nan 0.000 0.413 276 L N 0.238 121.294 121.223 -0.279 0.000 2.478 276 L HA -0.019 4.320 4.340 -0.001 0.000 0.223 276 L C 0.571 177.490 176.870 0.082 0.000 1.140 276 L CA 0.140 54.755 54.840 -0.375 0.000 0.842 276 L CB -0.571 41.259 42.059 -0.381 0.000 0.953 276 L HN 0.402 nan 8.230 nan 0.000 0.452 277 N N 0.293 119.047 118.700 0.089 0.000 2.696 277 N HA -0.299 4.440 4.740 -0.001 0.000 0.256 277 N C -0.832 174.802 175.510 0.207 0.000 1.031 277 N CA 0.510 53.639 53.050 0.132 0.000 0.730 277 N CB -1.078 37.532 38.487 0.204 0.000 0.894 277 N HN 0.281 nan 8.380 nan 0.000 0.544 278 F N -0.033 119.888 119.950 -0.048 0.000 2.688 278 F HA 0.447 4.974 4.527 -0.001 0.000 0.308 278 F C -2.292 173.473 175.800 -0.059 0.000 1.117 278 F CA -1.590 56.387 58.000 -0.038 0.000 0.976 278 F CB 1.629 40.605 39.000 -0.040 0.000 1.291 278 F HN -0.025 nan 8.300 nan 0.000 0.439 279 P HA 0.187 nan 4.420 nan 0.000 0.230 279 P C -0.067 177.214 177.300 -0.031 0.000 1.791 279 P CA 0.415 63.361 63.100 -0.256 0.000 1.020 279 P CB 0.357 31.851 31.700 -0.343 0.000 1.977 280 A N 2.344 125.278 122.820 0.190 0.000 1.873 280 A HA -0.123 4.196 4.320 -0.001 0.000 0.215 280 A C 2.094 179.756 177.584 0.129 0.000 1.186 280 A CA 1.111 53.294 52.037 0.244 0.000 0.616 280 A CB -1.121 17.956 19.000 0.127 0.000 0.823 280 A HN 0.337 nan 8.150 nan 0.000 0.442 281 L N -0.775 120.519 121.223 0.118 0.000 2.046 281 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 281 L C 2.887 179.889 176.870 0.219 0.000 1.077 281 L CA 1.779 56.742 54.840 0.205 0.000 0.747 281 L CB -0.508 41.667 42.059 0.194 0.000 0.896 281 L HN 0.600 nan 8.230 nan 0.000 0.432 282 Q N -0.233 119.639 119.800 0.119 0.000 2.030 282 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 282 Q C 0.854 176.909 176.000 0.092 0.000 0.986 282 Q CA 1.588 57.445 55.803 0.089 0.000 0.843 282 Q CB -0.041 28.701 28.738 0.008 0.000 0.904 282 Q HN 0.413 nan 8.270 nan 0.000 0.420 286 A N 1.403 124.316 122.820 0.154 0.000 1.892 286 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 286 A C -0.505 177.094 177.584 0.026 0.000 1.188 286 A CA 2.490 54.578 52.037 0.085 0.000 0.631 286 A CB -1.863 17.171 19.000 0.057 0.000 0.822 286 A HN 0.240 nan 8.150 nan 0.000 0.447 287 P HA 0.167 nan 4.420 nan 0.000 0.255 287 P C -0.040 177.200 177.300 -0.100 0.000 1.248 287 P CA 0.166 63.210 63.100 -0.093 0.000 0.807 287 P CB -0.098 31.497 31.700 -0.176 0.000 1.150 288 V N 3.347 123.177 119.914 -0.140 0.000 2.585 288 V HA -0.007 4.112 4.120 -0.001 0.000 0.296 288 V C 1.495 177.618 176.094 0.049 0.000 1.035 288 V CA 0.906 63.167 62.300 -0.066 0.000 1.084 288 V CB 0.492 32.302 31.823 -0.021 0.000 0.953 288 V HN 0.188 nan 8.190 nan 0.000 0.483 289 D N 2.905 123.351 120.400 0.077 0.000 2.441 289 D HA 0.177 4.816 4.640 -0.001 0.000 0.210 289 D C -0.119 176.209 176.300 0.046 0.000 1.102 289 D CA -0.081 53.959 54.000 0.067 0.000 0.840 289 D CB 0.652 41.495 40.800 0.072 0.000 0.990 289 D HN 0.322 nan 8.370 nan 0.000 0.505 290 L N 0.965 122.210 121.223 0.037 0.000 2.516 290 L HA 0.443 4.782 4.340 -0.001 0.000 0.267 290 L C -1.795 175.054 176.870 -0.034 0.000 0.957 290 L CA -0.836 54.012 54.840 0.013 0.000 0.860 290 L CB 2.278 44.365 42.059 0.047 0.000 1.265 290 L HN -0.181 nan 8.230 nan 0.000 0.403 291 V N 6.287 126.118 119.914 -0.138 0.000 2.357 291 V HA 0.467 4.586 4.120 -0.001 0.000 0.284 291 V C -0.366 175.563 176.094 -0.275 0.000 1.018 291 V CA -0.413 61.714 62.300 -0.287 0.000 0.841 291 V CB 1.443 32.837 31.823 -0.714 0.000 0.991 291 V HN 0.551 nan 8.190 nan 0.000 0.437 292 L N 5.092 126.201 121.223 -0.190 0.000 2.264 292 L HA 0.420 4.760 4.340 -0.001 0.000 0.287 292 L C 0.772 177.525 176.870 -0.195 0.000 1.039 292 L CA -0.079 54.657 54.840 -0.173 0.000 0.829 292 L CB 1.546 43.541 42.059 -0.107 0.000 1.211 292 L HN 0.772 nan 8.230 nan 0.000 0.427 293 T N 0.415 114.834 114.554 -0.226 0.000 2.863 293 T HA 0.420 4.769 4.350 -0.001 0.000 0.299 293 T C 0.013 174.685 174.700 -0.046 0.000 0.973 293 T CA -0.671 61.354 62.100 -0.126 0.000 0.994 293 T CB 0.189 68.956 68.868 -0.168 0.000 0.961 293 T HN 0.138 nan 8.240 nan 0.000 0.552 294 V N 3.878 123.768 119.914 -0.041 0.000 2.368 294 V HA 0.592 4.711 4.120 -0.001 0.000 0.266 294 V C 1.393 177.484 176.094 -0.005 0.000 1.045 294 V CA 0.141 62.401 62.300 -0.067 0.000 0.899 294 V CB 0.030 31.833 31.823 -0.033 0.000 1.006 294 V HN 1.289 nan 8.190 nan 0.000 0.470 295 G N 4.034 112.824 108.800 -0.017 0.000 2.256 295 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.272 295 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.272 295 G C -0.195 174.740 174.900 0.059 0.000 1.076 295 G CA -0.055 45.051 45.100 0.011 0.000 0.882 295 G HN 0.873 nan 8.290 nan 0.000 0.497 296 Y N 1.008 121.309 120.300 0.001 0.000 2.610 296 Y HA 0.452 5.002 4.550 -0.001 0.000 0.332 296 Y C 0.211 176.161 175.900 0.083 0.000 1.201 296 Y CA 0.362 58.501 58.100 0.066 0.000 1.465 296 Y CB 1.053 39.603 38.460 0.150 0.000 1.283 296 Y HN 0.236 nan 8.280 nan 0.000 0.563 297 D N 4.891 124.862 120.400 -0.714 0.000 2.616 297 D HA 0.021 4.661 4.640 -0.001 0.000 0.238 297 D C -0.120 175.817 176.300 -0.605 0.000 1.354 297 D CA -0.510 53.217 54.000 -0.454 0.000 0.970 297 D CB 0.339 41.017 40.800 -0.203 0.000 1.369 297 D HN 0.564 nan 8.370 nan 0.000 0.585 298 Y N 3.794 123.791 120.300 -0.505 0.000 2.256 298 Y HA -0.136 4.413 4.550 -0.001 0.000 0.288 298 Y C 1.954 177.746 175.900 -0.180 0.000 1.155 298 Y CA 2.184 60.137 58.100 -0.246 0.000 1.203 298 Y CB -0.230 38.241 38.460 0.019 0.000 0.980 298 Y HN 0.536 nan 8.280 nan 0.000 0.530 299 A N 0.039 122.775 122.820 -0.140 0.000 1.978 299 A HA -0.227 4.093 4.320 -0.001 0.000 0.220 299 A C 2.072 179.518 177.584 -0.231 0.000 1.170 299 A CA 1.842 53.767 52.037 -0.187 0.000 0.636 299 A CB -0.677 18.261 19.000 -0.103 0.000 0.810 299 A HN 0.624 nan 8.150 nan 0.000 0.448 300 E N -1.567 118.480 120.200 -0.254 0.000 2.409 300 E HA -0.124 4.226 4.350 -0.001 0.000 0.198 300 E C 0.159 176.523 176.600 -0.393 0.000 1.024 300 E CA 0.548 56.765 56.400 -0.305 0.000 0.861 300 E CB -0.075 29.460 29.700 -0.274 0.000 0.788 300 E HN 0.549 nan 8.360 nan 0.000 0.521 301 D N -0.609 119.601 120.400 -0.315 0.000 3.068 301 D HA -0.182 4.458 4.640 -0.001 0.000 0.218 301 D C -0.802 175.418 176.300 -0.133 0.000 1.145 301 D CA 0.328 54.177 54.000 -0.251 0.000 0.896 301 D CB -1.206 39.500 40.800 -0.158 0.000 1.105 301 D HN 0.157 nan 8.370 nan 0.000 0.423 302 L N 1.256 122.429 121.223 -0.084 0.000 2.302 302 L HA 0.354 4.693 4.340 -0.001 0.000 0.285 302 L C 0.515 177.501 176.870 0.193 0.000 1.090 302 L CA -0.433 54.463 54.840 0.094 0.000 0.866 302 L CB 0.104 42.270 42.059 0.178 0.000 1.244 302 L HN -0.053 nan 8.230 nan 0.000 0.435 303 R N 4.588 125.112 120.500 0.040 0.000 2.536 303 R HA 0.324 4.663 4.340 -0.001 0.000 0.279 303 R C -1.676 174.262 176.300 -0.603 0.000 1.001 303 R CA -1.745 54.328 56.100 -0.046 0.000 1.027 303 R CB 0.532 30.826 30.300 -0.010 0.000 1.096 303 R HN 0.354 nan 8.270 nan 0.000 0.502 304 P HA -0.231 nan 4.420 nan 0.000 0.217 304 P C 0.404 176.867 177.300 -1.395 0.000 1.151 304 P CA 1.380 63.250 63.100 -2.050 0.000 0.849 304 P CB 0.062 31.093 31.700 -1.114 0.000 0.787 308 Q N 2.835 122.440 119.800 -0.325 0.000 3.184 308 Q HA 0.211 4.550 4.340 -0.001 0.000 0.288 308 Q C -0.239 175.733 176.000 -0.047 0.000 1.412 308 Q CA 0.495 56.216 55.803 -0.137 0.000 0.991 308 Q CB 0.134 28.725 28.738 -0.245 0.000 1.688 308 Q HN -0.088 nan 8.270 nan 0.000 0.554 309 K N 0.206 120.632 120.400 0.043 0.000 2.316 309 K HA 0.572 4.892 4.320 -0.001 0.000 0.251 309 K C 0.487 177.136 176.600 0.083 0.000 0.934 309 K CA -0.008 56.323 56.287 0.073 0.000 0.802 309 K CB 2.024 34.614 32.500 0.150 0.000 1.171 309 K HN 0.463 nan 8.250 nan 0.000 0.426 310 G N 2.611 111.441 108.800 0.051 0.000 2.561 310 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.289 310 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.289 310 G C 0.268 175.192 174.900 0.040 0.000 1.169 310 G CA 0.223 45.348 45.100 0.042 0.000 0.980 310 G HN 0.764 nan 8.290 nan 0.000 0.550 311 I N -0.275 120.322 120.570 0.045 0.000 2.938 311 I HA 0.558 4.728 4.170 -0.001 0.000 0.285 311 I C 0.401 176.549 176.117 0.052 0.000 1.182 311 I CA -0.589 60.737 61.300 0.043 0.000 1.388 311 I CB 0.484 38.511 38.000 0.045 0.000 1.390 311 I HN 0.429 nan 8.210 nan 0.000 0.600 312 E N 3.449 123.677 120.200 0.045 0.000 2.384 312 E HA 0.217 4.566 4.350 -0.001 0.000 0.266 312 E C -0.813 175.824 176.600 0.061 0.000 1.012 312 E CA 0.017 56.447 56.400 0.051 0.000 0.901 312 E CB 0.904 30.628 29.700 0.039 0.000 0.967 312 E HN 0.469 nan 8.360 nan 0.000 0.435 313 K N 1.816 122.263 120.400 0.078 0.000 2.259 313 K HA 0.340 4.659 4.320 -0.001 0.000 0.249 313 K C -0.107 176.534 176.600 0.068 0.000 0.942 313 K CA -0.825 55.506 56.287 0.073 0.000 0.816 313 K CB 1.565 34.115 32.500 0.085 0.000 1.155 313 K HN 0.048 nan 8.250 nan 0.000 0.428 314 K N 1.146 121.574 120.400 0.047 0.000 2.118 314 K HA 0.358 4.677 4.320 -0.001 0.000 0.264 314 K C -0.216 176.396 176.600 0.019 0.000 1.000 314 K CA -0.344 55.968 56.287 0.041 0.000 0.929 314 K CB 1.461 33.983 32.500 0.038 0.000 1.021 314 K HN 0.880 nan 8.250 nan 0.000 0.463 315 T N -2.429 112.142 114.554 0.028 0.000 2.876 315 T HA 0.560 4.910 4.350 -0.001 0.000 0.289 315 T C -0.489 174.196 174.700 -0.026 0.000 1.014 315 T CA -0.864 61.233 62.100 -0.004 0.000 0.986 315 T CB 1.379 70.337 68.868 0.149 0.000 1.021 315 T HN 0.108 nan 8.240 nan 0.000 0.458 316 V N 2.595 122.464 119.914 -0.075 0.000 2.444 316 V HA 0.574 4.694 4.120 -0.001 0.000 0.294 316 V C 0.135 176.138 176.094 -0.152 0.000 1.022 316 V CA -0.979 61.255 62.300 -0.110 0.000 0.850 316 V CB 1.574 33.334 31.823 -0.104 0.000 0.992 316 V HN 0.980 nan 8.190 nan 0.000 0.426 317 R N 4.266 124.655 120.500 -0.184 0.000 2.265 317 R HA 0.705 5.045 4.340 -0.001 0.000 0.319 317 R C -1.458 174.694 176.300 -0.245 0.000 1.006 317 R CA -0.515 55.485 56.100 -0.167 0.000 0.880 317 R CB 0.933 31.076 30.300 -0.261 0.000 1.077 317 R HN 0.656 nan 8.270 nan 0.000 0.454 318 I N 2.739 123.149 120.570 -0.267 0.000 2.410 318 I HA 0.301 4.471 4.170 -0.001 0.000 0.286 318 I C -0.517 175.487 176.117 -0.189 0.000 1.009 318 I CA -0.039 61.029 61.300 -0.386 0.000 1.111 318 I CB 2.014 39.546 38.000 -0.780 0.000 1.262 318 I HN 0.504 nan 8.210 nan 0.000 0.443 319 S N 6.771 122.381 115.700 -0.151 0.000 2.533 319 S HA 0.571 5.040 4.470 -0.001 0.000 0.271 319 S C -2.654 171.886 174.600 -0.101 0.000 1.143 319 S CA -1.090 57.063 58.200 -0.078 0.000 0.891 319 S CB 2.060 65.262 63.200 0.002 0.000 1.105 319 S HN 0.368 nan 8.310 nan 0.000 0.468 320 P HA 0.196 nan 4.420 nan 0.000 0.249 320 P C -0.198 177.068 177.300 -0.056 0.000 1.593 320 P CA 0.104 63.150 63.100 -0.091 0.000 0.896 320 P CB -0.917 30.736 31.700 -0.079 0.000 1.581 321 T N -4.149 110.380 114.554 -0.042 0.000 2.923 321 T HA 0.373 4.723 4.350 -0.001 0.000 0.311 321 T C -0.333 174.355 174.700 -0.021 0.000 1.183 321 T CA -0.738 61.349 62.100 -0.022 0.000 1.020 321 T CB 1.224 70.091 68.868 -0.002 0.000 1.165 321 T HN -0.227 nan 8.240 nan 0.000 0.482 322 V N 2.871 122.776 119.914 -0.015 0.000 2.740 322 V HA 0.194 4.313 4.120 -0.001 0.000 0.303 322 V C 1.065 177.153 176.094 -0.010 0.000 1.054 322 V CA -0.530 61.760 62.300 -0.017 0.000 1.106 322 V CB 0.361 32.177 31.823 -0.012 0.000 0.957 322 V HN 1.005 nan 8.190 nan 0.000 0.486 323 N N 6.725 125.410 118.700 -0.025 0.000 2.429 323 N HA 0.062 4.801 4.740 -0.001 0.000 0.271 323 N C -1.063 174.442 175.510 -0.008 0.000 1.272 323 N CA -1.373 51.666 53.050 -0.019 0.000 0.921 323 N CB 0.952 39.391 38.487 -0.080 0.000 1.128 323 N HN 0.421 nan 8.380 nan 0.000 0.481 324 P HA 0.064 nan 4.420 nan 0.000 0.245 324 P C 0.259 177.555 177.300 -0.006 0.000 1.206 324 P CA 0.637 63.745 63.100 0.013 0.000 0.781 324 P CB -0.011 31.712 31.700 0.037 0.000 0.994 325 I N -3.710 116.844 120.570 -0.027 0.000 2.998 325 I HA 0.407 4.577 4.170 -0.001 0.000 0.338 325 I C -1.915 174.151 176.117 -0.086 0.000 1.413 325 I CA -2.490 58.757 61.300 -0.088 0.000 0.880 325 I CB 1.117 38.970 38.000 -0.246 0.000 2.051 325 I HN -0.333 nan 8.210 nan 0.000 0.561 326 P HA -0.190 nan 4.420 nan 0.000 0.223 326 P C 1.491 178.756 177.300 -0.058 0.000 1.144 326 P CA 1.138 64.197 63.100 -0.067 0.000 0.783 326 P CB 0.099 31.763 31.700 -0.059 0.000 0.771 327 R N 0.123 120.586 120.500 -0.061 0.000 2.120 327 R HA -0.064 4.276 4.340 -0.001 0.000 0.234 327 R C 1.685 177.945 176.300 -0.067 0.000 1.123 327 R CA 1.347 57.414 56.100 -0.055 0.000 0.975 327 R CB -0.186 30.085 30.300 -0.048 0.000 0.866 327 R HN 0.068 nan 8.270 nan 0.000 0.446 328 V N -1.168 118.683 119.914 -0.104 0.000 2.788 328 V HA 0.048 4.168 4.120 -0.001 0.000 0.241 328 V C -0.154 175.909 176.094 -0.051 0.000 1.083 328 V CA 0.383 62.601 62.300 -0.136 0.000 1.103 328 V CB 0.150 31.772 31.823 -0.335 0.000 0.800 328 V HN 0.182 nan 8.190 nan 0.000 0.476 329 Y N 2.055 122.239 120.300 -0.194 0.000 2.332 329 Y HA 0.572 5.122 4.550 -0.001 0.000 0.326 329 Y C -0.151 175.692 175.900 -0.095 0.000 0.978 329 Y CA -1.937 56.078 58.100 -0.142 0.000 1.205 329 Y CB 0.901 39.266 38.460 -0.158 0.000 1.131 329 Y HN 0.041 nan 8.280 nan 0.000 0.462 330 R N 7.546 128.048 120.500 0.005 0.000 2.396 330 R HA 0.320 4.660 4.340 -0.001 0.000 0.292 330 R C -2.609 173.580 176.300 -0.185 0.000 1.240 330 R CA -1.708 54.304 56.100 -0.145 0.000 1.270 330 R CB 0.913 31.178 30.300 -0.058 0.000 1.108 330 R HN 0.465 nan 8.270 nan 0.000 0.573 331 P HA 0.004 nan 4.420 nan 0.000 0.269 331 P C -0.031 177.184 177.300 -0.142 0.000 1.209 331 P CA -0.146 62.756 63.100 -0.329 0.000 0.776 331 P CB 1.128 32.483 31.700 -0.575 0.000 0.876 332 D N 0.153 120.522 120.400 -0.051 0.000 2.144 332 D HA -0.046 4.593 4.640 -0.001 0.000 0.199 332 D C 0.370 176.648 176.300 -0.037 0.000 0.984 332 D CA 1.482 55.467 54.000 -0.026 0.000 0.834 332 D CB 0.258 41.062 40.800 0.007 0.000 0.955 332 D HN 0.128 nan 8.370 nan 0.000 0.465 333 V N 1.146 121.029 119.914 -0.052 0.000 2.577 333 V HA 0.185 4.305 4.120 -0.001 0.000 0.303 333 V C -0.775 175.260 176.094 -0.100 0.000 1.042 333 V CA -0.906 61.369 62.300 -0.043 0.000 0.872 333 V CB 2.364 34.193 31.823 0.009 0.000 0.998 333 V HN -0.134 nan 8.190 nan 0.000 0.423 334 D N 3.532 123.875 120.400 -0.095 0.000 2.414 334 D HA 0.476 5.115 4.640 -0.001 0.000 0.232 334 D C -0.803 175.453 176.300 -0.073 0.000 1.070 334 D CA -0.152 53.770 54.000 -0.129 0.000 0.839 334 D CB 1.969 42.684 40.800 -0.142 0.000 1.079 334 D HN 0.270 nan 8.370 nan 0.000 0.521 335 V N 4.613 124.462 119.914 -0.108 0.000 2.294 335 V HA 0.247 4.367 4.120 -0.001 0.000 0.272 335 V C 0.216 176.249 176.094 -0.102 0.000 1.027 335 V CA -0.843 61.425 62.300 -0.053 0.000 0.823 335 V CB 1.364 33.121 31.823 -0.110 0.000 1.030 335 V HN 0.343 nan 8.190 nan 0.000 0.457 336 V N 4.935 124.825 119.914 -0.039 0.000 2.320 336 V HA 0.632 4.751 4.120 -0.001 0.000 0.265 336 V C 0.327 176.311 176.094 -0.184 0.000 1.048 336 V CA 0.427 62.673 62.300 -0.089 0.000 0.865 336 V CB 0.788 32.586 31.823 -0.042 0.000 1.043 336 V HN 0.994 nan 8.190 nan 0.000 0.474 337 T N 2.606 116.977 114.554 -0.306 0.000 2.686 337 T HA 0.215 4.565 4.350 -0.001 0.000 0.308 337 T C -1.574 172.896 174.700 -0.384 0.000 1.667 337 T CA -0.671 61.101 62.100 -0.547 0.000 0.987 337 T CB 1.683 69.784 68.868 -1.279 0.000 1.652 337 T HN 0.695 nan 8.240 nan 0.000 0.496 338 D N 0.832 120.999 120.400 -0.388 0.000 2.424 338 D HA 0.238 4.878 4.640 -0.001 0.000 0.244 338 D C 1.530 177.731 176.300 -0.165 0.000 1.134 338 D CA 0.176 54.045 54.000 -0.218 0.000 0.881 338 D CB 0.897 41.597 40.800 -0.166 0.000 1.191 338 D HN 0.248 nan 8.370 nan 0.000 0.445 339 V N 3.936 123.803 119.914 -0.078 0.000 2.287 339 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 339 V C 2.213 178.349 176.094 0.070 0.000 1.053 339 V CA 1.425 63.726 62.300 0.001 0.000 1.027 339 V CB -0.699 31.124 31.823 0.000 0.000 0.646 339 V HN 0.613 nan 8.190 nan 0.000 0.447 340 L N 0.825 122.064 121.223 0.025 0.000 2.046 340 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 340 L C 2.444 179.343 176.870 0.049 0.000 1.077 340 L CA 2.319 57.182 54.840 0.038 0.000 0.747 340 L CB -1.016 41.055 42.059 0.021 0.000 0.896 340 L HN 0.232 nan 8.230 nan 0.000 0.432 341 A N -0.866 121.958 122.820 0.007 0.000 1.902 341 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 341 A C 2.274 179.939 177.584 0.136 0.000 1.181 341 A CA 1.876 53.931 52.037 0.029 0.000 0.623 341 A CB -1.194 17.719 19.000 -0.144 0.000 0.818 341 A HN 0.571 nan 8.150 nan 0.000 0.443 342 F N 0.934 120.822 119.950 -0.103 0.000 2.102 342 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 342 F C 2.150 178.078 175.800 0.214 0.000 1.105 342 F CA 2.105 60.159 58.000 0.091 0.000 1.239 342 F CB -0.491 38.469 39.000 -0.067 0.000 0.991 342 F HN 0.018 nan 8.300 nan 0.000 0.474 343 V N 0.799 120.668 119.914 -0.074 0.000 2.343 343 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 343 V C 2.279 178.334 176.094 -0.065 0.000 1.051 343 V CA 2.314 64.521 62.300 -0.155 0.000 1.036 343 V CB -0.825 31.015 31.823 0.027 0.000 0.654 343 V HN 0.384 nan 8.190 nan 0.000 0.451 344 E N -0.564 119.650 120.200 0.024 0.000 2.110 344 E HA -0.266 4.084 4.350 -0.001 0.000 0.193 344 E C 2.140 178.774 176.600 0.055 0.000 0.988 344 E CA 1.589 58.016 56.400 0.045 0.000 0.804 344 E CB -0.217 29.529 29.700 0.076 0.000 0.745 344 E HN 0.790 nan 8.360 nan 0.000 0.458 345 H N -0.491 118.606 119.070 0.045 0.000 2.363 345 H HA -0.106 4.449 4.556 -0.001 0.000 0.301 345 H C 1.761 177.054 175.328 -0.058 0.000 1.074 345 H CA 1.302 57.373 56.048 0.039 0.000 1.354 345 H CB -0.072 29.805 29.762 0.192 0.000 1.397 345 H HN 0.086 nan 8.280 nan 0.000 0.516 346 F N 1.429 121.229 119.950 -0.250 0.000 2.171 346 F HA -0.139 4.387 4.527 -0.001 0.000 0.300 346 F C 2.245 177.843 175.800 -0.337 0.000 1.090 346 F CA 1.325 59.091 58.000 -0.390 0.000 1.293 346 F CB -0.056 38.478 39.000 -0.777 0.000 1.013 346 F HN 0.223 nan 8.300 nan 0.000 0.486 347 E N -0.403 119.698 120.200 -0.165 0.000 2.058 347 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 347 E C 2.224 178.656 176.600 -0.280 0.000 0.997 347 E CA 1.955 58.234 56.400 -0.203 0.000 0.801 347 E CB -0.733 28.905 29.700 -0.102 0.000 0.746 347 E HN 0.344 nan 8.360 nan 0.000 0.450 348 T N 1.154 115.546 114.554 -0.271 0.000 2.746 348 T HA -0.108 4.241 4.350 -0.001 0.000 0.267 348 T C 1.923 176.404 174.700 -0.365 0.000 1.039 348 T CA 1.485 63.413 62.100 -0.286 0.000 1.142 348 T CB -0.194 68.503 68.868 -0.286 0.000 0.866 348 T HN 0.260 nan 8.240 nan 0.000 0.444 349 A N 1.490 124.025 122.820 -0.475 0.000 2.015 349 A HA -0.038 4.282 4.320 -0.001 0.000 0.219 349 A C 2.316 179.475 177.584 -0.708 0.000 1.163 349 A CA 1.765 53.510 52.037 -0.487 0.000 0.646 349 A CB -0.649 18.094 19.000 -0.428 0.000 0.806 349 A HN 0.596 nan 8.150 nan 0.000 0.448 350 T N -4.371 109.618 114.554 -0.943 0.000 3.129 350 T HA 0.557 4.907 4.350 -0.001 0.000 0.267 350 T C 1.382 175.621 174.700 -0.769 0.000 1.018 350 T CA 0.693 61.887 62.100 -1.509 0.000 0.903 350 T CB 0.356 68.298 68.868 -1.543 0.000 1.067 350 T HN 0.408 nan 8.240 nan 0.000 0.549 351 A N 2.338 124.900 122.820 -0.430 0.000 1.978 351 A HA -0.026 4.294 4.320 -0.001 0.000 0.220 351 A C 2.490 180.021 177.584 -0.089 0.000 1.170 351 A CA 1.776 53.687 52.037 -0.211 0.000 0.636 351 A CB -0.797 18.107 19.000 -0.160 0.000 0.810 351 A HN 0.772 nan 8.150 nan 0.000 0.448 352 S N -1.780 113.911 115.700 -0.014 0.000 2.556 352 S HA 0.324 4.794 4.470 -0.001 0.000 0.216 352 S C 0.076 174.813 174.600 0.229 0.000 0.970 352 S CA -0.631 57.626 58.200 0.095 0.000 0.912 352 S CB -0.336 62.916 63.200 0.087 0.000 0.790 352 S HN 0.105 nan 8.310 nan 0.000 0.504 353 F N 3.205 123.106 119.950 -0.081 0.000 2.518 353 F HA 0.556 5.083 4.527 -0.001 0.000 0.359 353 F C 1.483 177.254 175.800 -0.049 0.000 1.118 353 F CA -1.020 56.937 58.000 -0.071 0.000 1.287 353 F CB -0.164 38.781 39.000 -0.092 0.000 1.132 353 F HN 0.198 nan 8.300 nan 0.000 0.587 354 G N 1.192 110.048 108.800 0.094 0.000 2.467 354 G HA2 0.471 4.431 3.960 -0.001 0.000 0.257 354 G HA3 0.471 4.431 3.960 -0.001 0.000 0.257 354 G C -0.443 174.495 174.900 0.063 0.000 1.227 354 G CA -0.392 44.737 45.100 0.048 0.000 0.835 354 G HN 0.922 nan 8.290 nan 0.000 0.556 355 A N 1.930 124.781 122.820 0.051 0.000 2.520 355 A HA 0.403 4.722 4.320 -0.001 0.000 0.235 355 A C 0.748 178.356 177.584 0.040 0.000 1.065 355 A CA 0.078 52.146 52.037 0.052 0.000 0.764 355 A CB 0.303 19.329 19.000 0.044 0.000 1.002 355 A HN 0.536 nan 8.150 nan 0.000 0.502 356 K N 0.913 121.342 120.400 0.048 0.000 2.090 356 K HA 0.197 4.516 4.320 -0.001 0.000 0.250 356 K C 0.069 176.697 176.600 0.046 0.000 1.004 356 K CA -0.270 56.036 56.287 0.031 0.000 0.919 356 K CB 0.739 33.264 32.500 0.042 0.000 1.045 356 K HN 0.808 nan 8.250 nan 0.000 0.471 357 Q N 2.812 122.635 119.800 0.040 0.000 2.406 357 Q HA 0.059 4.398 4.340 -0.001 0.000 0.242 357 Q C -0.312 175.830 176.000 0.236 0.000 1.036 357 Q CA -0.424 55.445 55.803 0.110 0.000 0.904 357 Q CB 0.454 29.259 28.738 0.112 0.000 1.244 357 Q HN 0.396 nan 8.270 nan 0.000 0.478 358 R N 3.055 123.678 120.500 0.205 0.000 2.641 358 R HA 0.138 4.478 4.340 -0.001 0.000 0.269 358 R C 0.095 176.564 176.300 0.282 0.000 1.074 358 R CA -0.566 55.686 56.100 0.253 0.000 1.133 358 R CB 0.356 30.716 30.300 0.099 0.000 1.029 358 R HN 0.561 nan 8.270 nan 0.000 0.488 359 H N 0.097 119.277 119.070 0.183 0.000 2.544 359 H HA 0.161 4.716 4.556 -0.001 0.000 0.365 359 H C -1.027 174.385 175.328 0.140 0.000 1.268 359 H CA -0.686 55.385 56.048 0.038 0.000 1.400 359 H CB 0.725 30.426 29.762 -0.101 0.000 1.538 359 H HN 0.714 nan 8.280 nan 0.000 0.597 360 D N 0.737 121.150 120.400 0.021 0.000 2.249 360 D HA 0.191 4.830 4.640 -0.001 0.000 0.246 360 D C 0.787 177.030 176.300 -0.094 0.000 1.114 360 D CA -0.590 53.380 54.000 -0.050 0.000 0.854 360 D CB 0.166 40.965 40.800 -0.002 0.000 1.132 360 D HN 0.630 nan 8.370 nan 0.000 0.461 361 I N 0.176 120.594 120.570 -0.253 0.000 4.050 361 I HA 0.343 4.513 4.170 -0.001 0.000 0.327 361 I C 0.928 176.918 176.117 -0.211 0.000 1.473 361 I CA -0.482 60.671 61.300 -0.245 0.000 1.124 361 I CB 0.578 38.318 38.000 -0.434 0.000 1.129 361 I HN 0.088 nan 8.210 nan 0.000 0.428 362 E N 2.448 122.550 120.200 -0.163 0.000 2.130 362 E HA -0.130 4.219 4.350 -0.001 0.000 0.196 362 E C -0.436 176.116 176.600 -0.080 0.000 0.998 362 E CA 1.600 57.926 56.400 -0.123 0.000 0.806 362 E CB -1.586 28.066 29.700 -0.080 0.000 0.738 362 E HN 0.488 nan 8.360 nan 0.000 0.459 363 P HA -0.127 nan 4.420 nan 0.000 0.217 363 P C 1.710 178.930 177.300 -0.134 0.000 1.150 363 P CA 0.753 63.886 63.100 0.054 0.000 0.832 363 P CB -0.032 31.819 31.700 0.252 0.000 0.787 364 L N -0.384 120.760 121.223 -0.132 0.000 2.072 364 L HA -0.028 4.312 4.340 -0.001 0.000 0.205 364 L C 2.307 178.988 176.870 -0.315 0.000 1.079 364 L CA 1.729 56.367 54.840 -0.336 0.000 0.752 364 L CB -0.874 41.113 42.059 -0.120 0.000 0.906 364 L HN -0.257 nan 8.230 nan 0.000 0.436 365 R N -0.334 120.031 120.500 -0.224 0.000 2.091 365 R HA -0.143 4.197 4.340 -0.001 0.000 0.238 365 R C 2.263 178.479 176.300 -0.139 0.000 1.136 365 R CA 1.419 57.411 56.100 -0.179 0.000 0.959 365 R CB -0.663 29.532 30.300 -0.174 0.000 0.856 365 R HN 0.563 nan 8.270 nan 0.000 0.437 366 A N 0.874 123.609 122.820 -0.141 0.000 1.898 366 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 366 A C 2.104 179.622 177.584 -0.109 0.000 1.181 366 A CA 1.449 53.428 52.037 -0.097 0.000 0.620 366 A CB -0.346 18.612 19.000 -0.070 0.000 0.819 366 A HN 0.114 nan 8.150 nan 0.000 0.442 367 R N 0.201 120.550 120.500 -0.253 0.000 2.081 367 R HA 0.005 4.345 4.340 -0.001 0.000 0.235 367 R C 1.749 178.014 176.300 -0.058 0.000 1.131 367 R CA 1.737 57.679 56.100 -0.263 0.000 0.960 367 R CB -0.774 29.033 30.300 -0.822 0.000 0.856 367 R HN 0.545 nan 8.270 nan 0.000 0.436 368 I N 0.253 120.754 120.570 -0.114 0.000 2.179 368 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 368 I C 2.269 178.502 176.117 0.193 0.000 1.088 368 I CA 1.441 62.790 61.300 0.081 0.000 1.357 368 I CB -0.400 37.582 38.000 -0.030 0.000 1.051 368 I HN 0.304 nan 8.210 nan 0.000 0.409 369 A N 0.039 122.906 122.820 0.077 0.000 1.933 369 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 369 A C 2.319 179.947 177.584 0.074 0.000 1.175 369 A CA 1.929 54.007 52.037 0.068 0.000 0.628 369 A CB -0.649 18.364 19.000 0.021 0.000 0.814 369 A HN 0.521 nan 8.150 nan 0.000 0.444 370 E N -1.254 118.995 120.200 0.082 0.000 2.077 370 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 370 E C 1.658 178.288 176.600 0.050 0.000 0.989 370 E CA 1.244 57.682 56.400 0.063 0.000 0.800 370 E CB -0.227 29.511 29.700 0.063 0.000 0.746 370 E HN 0.571 nan 8.360 nan 0.000 0.452 371 F N 0.918 120.797 119.950 -0.119 0.000 2.102 371 F HA -0.146 4.381 4.527 -0.001 0.000 0.298 371 F C 2.284 177.963 175.800 -0.202 0.000 1.105 371 F CA 1.098 58.920 58.000 -0.297 0.000 1.239 371 F CB -0.421 38.297 39.000 -0.471 0.000 0.991 371 F HN 0.040 nan 8.300 nan 0.000 0.474 372 L N -0.756 120.459 121.223 -0.014 0.000 2.079 372 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 372 L C 2.356 179.243 176.870 0.029 0.000 1.081 372 L CA 1.294 56.120 54.840 -0.024 0.000 0.752 372 L CB -0.831 41.245 42.059 0.029 0.000 0.896 372 L HN 0.133 nan 8.230 nan 0.000 0.433 373 A N -1.566 121.273 122.820 0.033 0.000 2.251 373 A HA -0.052 4.267 4.320 -0.001 0.000 0.209 373 A C 0.566 178.163 177.584 0.021 0.000 1.187 373 A CA -0.218 51.833 52.037 0.024 0.000 0.823 373 A CB -0.404 18.607 19.000 0.017 0.000 0.846 373 A HN 0.280 nan 8.150 nan 0.000 0.486 374 D N 1.365 121.788 120.400 0.037 0.000 2.660 374 D HA -0.034 4.605 4.640 -0.001 0.000 0.253 374 D C -1.441 174.881 176.300 0.037 0.000 1.256 374 D CA -0.728 53.299 54.000 0.046 0.000 0.914 374 D CB 0.879 41.771 40.800 0.154 0.000 1.137 374 D HN 0.238 nan 8.370 nan 0.000 0.542 375 P HA 0.056 nan 4.420 nan 0.000 0.261 375 P C 0.207 177.465 177.300 -0.069 0.000 1.268 375 P CA -0.089 62.995 63.100 -0.026 0.000 0.833 375 P CB 0.250 31.930 31.700 -0.032 0.000 1.231 376 E N 0.630 120.762 120.200 -0.115 0.000 2.392 376 E HA 0.119 4.469 4.350 -0.001 0.000 0.264 376 E C -0.492 175.902 176.600 -0.343 0.000 1.024 376 E CA 0.210 56.422 56.400 -0.314 0.000 0.903 376 E CB 0.364 29.713 29.700 -0.585 0.000 0.963 376 E HN -0.068 nan 8.360 nan 0.000 0.432 377 T N 4.264 118.615 114.554 -0.338 0.000 2.749 377 T HA 0.257 4.607 4.350 -0.001 0.000 0.287 377 T C -1.063 173.449 174.700 -0.312 0.000 0.970 377 T CA -0.266 61.706 62.100 -0.214 0.000 0.980 377 T CB 0.055 68.856 68.868 -0.112 0.000 0.924 377 T HN 0.260 nan 8.240 nan 0.000 0.456 378 Y N 1.082 121.354 120.300 -0.048 0.000 2.376 378 Y HA 0.280 4.830 4.550 -0.001 0.000 0.325 378 Y C 1.696 177.570 175.900 -0.043 0.000 1.199 378 Y CA -0.955 57.118 58.100 -0.044 0.000 1.206 378 Y CB 0.993 39.420 38.460 -0.054 0.000 1.229 378 Y HN 0.678 nan 8.280 nan 0.000 0.480 379 E N 0.811 121.077 120.200 0.111 0.000 2.208 379 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 379 E C -0.338 176.284 176.600 0.037 0.000 0.988 379 E CA 1.018 57.446 56.400 0.047 0.000 0.828 379 E CB 0.134 29.853 29.700 0.031 0.000 0.763 379 E HN 0.770 nan 8.360 nan 0.000 0.478 380 D N -0.215 120.214 120.400 0.049 0.000 2.863 380 D HA 0.297 4.936 4.640 -0.001 0.000 0.323 380 D C 0.416 176.694 176.300 -0.037 0.000 1.286 380 D CA 0.123 54.122 54.000 -0.002 0.000 0.921 380 D CB 0.186 40.977 40.800 -0.015 0.000 1.024 380 D HN 0.258 nan 8.370 nan 0.000 0.505 384 V N 2.688 122.312 119.914 -0.483 0.000 2.407 384 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 384 V C 2.312 178.315 176.094 -0.151 0.000 1.055 384 V CA 2.325 64.422 62.300 -0.338 0.000 1.049 384 V CB -0.713 30.819 31.823 -0.485 0.000 0.662 384 V HN 0.713 nan 8.190 nan 0.000 0.455 385 H N 0.343 119.432 119.070 0.032 0.000 2.421 385 H HA -0.174 4.381 4.556 -0.001 0.000 0.298 385 H C 2.005 177.249 175.328 -0.140 0.000 1.087 385 H CA 1.632 57.605 56.048 -0.126 0.000 1.330 385 H CB -0.423 29.142 29.762 -0.328 0.000 1.388 385 H HN 0.500 nan 8.280 nan 0.000 0.526 386 Q N 0.831 120.445 119.800 -0.310 0.000 2.123 386 Q HA -0.030 4.310 4.340 -0.001 0.000 0.199 386 Q C 2.789 178.737 176.000 -0.087 0.000 0.966 386 Q CA 1.260 56.974 55.803 -0.148 0.000 0.845 386 Q CB 0.162 28.799 28.738 -0.169 0.000 0.907 386 Q HN 0.257 nan 8.270 nan 0.000 0.439 387 V N 1.206 121.052 119.914 -0.112 0.000 2.287 387 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 387 V C 2.139 178.241 176.094 0.012 0.000 1.053 387 V CA 1.735 63.998 62.300 -0.061 0.000 1.027 387 V CB -0.462 31.307 31.823 -0.091 0.000 0.646 387 V HN 0.340 nan 8.190 nan 0.000 0.447 388 I N 0.269 120.871 120.570 0.053 0.000 2.252 388 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 388 I C 2.338 178.522 176.117 0.112 0.000 1.102 388 I CA 1.951 63.329 61.300 0.130 0.000 1.385 388 I CB -0.453 37.678 38.000 0.220 0.000 1.064 388 I HN 0.386 nan 8.210 nan 0.000 0.414 389 D N 0.703 121.141 120.400 0.063 0.000 2.133 389 D HA -0.124 4.516 4.640 -0.001 0.000 0.195 389 D C 1.321 177.661 176.300 0.067 0.000 0.997 389 D CA 1.031 55.066 54.000 0.058 0.000 0.840 389 D CB 0.120 40.937 40.800 0.027 0.000 0.947 389 D HN 0.210 nan 8.370 nan 0.000 0.452 393 T N 2.463 117.078 114.554 0.103 0.000 2.635 393 T HA -0.016 4.333 4.350 -0.001 0.000 0.267 393 T C 1.313 176.072 174.700 0.098 0.000 1.040 393 T CA 1.288 63.437 62.100 0.083 0.000 1.156 393 T CB -0.076 68.833 68.868 0.068 0.000 0.863 393 T HN -0.028 nan 8.240 nan 0.000 0.430 397 E N 0.792 121.007 120.200 0.026 0.000 2.072 397 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 397 E C 1.842 178.455 176.600 0.023 0.000 0.985 397 E CA 1.247 57.665 56.400 0.030 0.000 0.801 397 E CB 0.063 29.791 29.700 0.046 0.000 0.750 397 E HN 0.291 nan 8.360 nan 0.000 0.452 398 A N 1.155 123.988 122.820 0.022 0.000 1.975 398 A HA 0.266 4.585 4.320 -0.001 0.000 0.215 398 A C 1.310 178.887 177.584 -0.012 0.000 1.170 398 A CA 0.662 52.711 52.037 0.020 0.000 0.656 398 A CB 0.038 19.071 19.000 0.056 0.000 0.821 398 A HN 0.217 nan 8.150 nan 0.000 0.449 399 A N 0.483 123.278 122.820 -0.041 0.000 2.304 399 A HA 0.546 4.865 4.320 -0.001 0.000 0.301 399 A C -0.121 177.452 177.584 -0.018 0.000 1.132 399 A CA -0.597 51.414 52.037 -0.043 0.000 0.819 399 A CB 0.314 19.268 19.000 -0.076 0.000 1.094 399 A HN 0.302 nan 8.150 nan 0.000 0.492 400 E N 1.123 121.317 120.200 -0.010 0.000 2.404 400 E HA 0.195 4.544 4.350 -0.001 0.000 0.261 400 E C -2.273 174.327 176.600 -0.000 0.000 1.074 400 E CA -1.537 54.863 56.400 -0.001 0.000 0.917 400 E CB -0.252 29.449 29.700 0.003 0.000 0.965 400 E HN 0.327 nan 8.360 nan 0.000 0.433 401 P HA -0.015 nan 4.420 nan 0.000 0.262 401 P C 0.526 177.832 177.300 0.010 0.000 1.182 401 P CA 1.051 64.157 63.100 0.009 0.000 0.761 401 P CB 0.283 31.991 31.700 0.012 0.000 0.795 402 G N 1.402 110.209 108.800 0.012 0.000 2.153 402 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.252 402 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.252 402 G C -0.023 174.885 174.900 0.012 0.000 0.994 402 G CA -0.045 45.064 45.100 0.014 0.000 0.698 402 G HN 0.571 nan 8.290 nan 0.000 0.521 403 E N -1.149 119.054 120.200 0.005 0.000 2.393 403 E HA 0.663 5.013 4.350 -0.001 0.000 0.265 403 E C 0.378 176.968 176.600 -0.016 0.000 0.941 403 E CA -0.507 55.894 56.400 0.001 0.000 0.801 403 E CB 2.021 31.720 29.700 -0.001 0.000 1.313 403 E HN 1.544 nan 8.360 nan 0.000 0.435 404 G N 0.222 109.008 108.800 -0.023 0.000 2.675 404 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.686 404 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.686 404 G C -0.857 174.027 174.900 -0.027 0.000 1.215 404 G CA -0.663 44.398 45.100 -0.065 0.000 0.777 404 G HN 0.396 nan 8.290 nan 0.000 0.638 405 T N 1.227 115.757 114.554 -0.040 0.000 2.928 405 T HA 0.628 4.977 4.350 -0.001 0.000 0.296 405 T C 0.203 174.924 174.700 0.035 0.000 1.000 405 T CA -0.461 61.654 62.100 0.025 0.000 0.989 405 T CB 1.446 70.337 68.868 0.040 0.000 1.005 405 T HN 0.669 nan 8.240 nan 0.000 0.442 406 I N 3.000 123.640 120.570 0.117 0.000 2.339 406 I HA 0.458 4.627 4.170 -0.001 0.000 0.290 406 I C -0.343 175.851 176.117 0.128 0.000 0.994 406 I CA -0.990 60.433 61.300 0.205 0.000 1.191 406 I CB 1.510 39.709 38.000 0.333 0.000 1.343 406 I HN 0.278 nan 8.210 nan 0.000 0.458 407 V N 4.908 124.883 119.914 0.102 0.000 2.483 407 V HA 0.401 4.520 4.120 -0.001 0.000 0.295 407 V C 0.058 176.195 176.094 0.072 0.000 1.035 407 V CA -0.437 61.863 62.300 0.001 0.000 0.896 407 V CB 1.737 33.573 31.823 0.022 0.000 0.986 407 V HN 0.760 nan 8.190 nan 0.000 0.447 408 S N 2.622 118.317 115.700 -0.008 0.000 2.502 408 S HA 0.350 4.819 4.470 -0.001 0.000 0.304 408 S C -0.406 174.357 174.600 0.271 0.000 1.097 408 S CA -0.675 57.642 58.200 0.196 0.000 1.045 408 S CB 1.257 64.571 63.200 0.190 0.000 1.019 408 S HN 0.897 nan 8.310 nan 0.000 0.481 409 D N 2.193 122.857 120.400 0.441 0.000 2.325 409 D HA 0.202 4.841 4.640 -0.001 0.000 0.262 409 D C -0.061 176.433 176.300 0.322 0.000 1.263 409 D CA -0.050 54.238 54.000 0.480 0.000 1.020 409 D CB 0.444 41.556 40.800 0.521 0.000 1.117 409 D HN 0.417 nan 8.370 nan 0.000 0.545 410 I N -0.539 120.217 120.570 0.310 0.000 2.460 410 I HA 0.601 4.770 4.170 -0.001 0.000 0.298 410 I C 1.018 177.182 176.117 0.079 0.000 0.989 410 I CA -0.281 61.044 61.300 0.042 0.000 1.173 410 I CB 0.473 38.533 38.000 0.100 0.000 1.338 410 I HN 0.605 nan 8.210 nan 0.000 0.456 411 G N 3.872 112.541 108.800 -0.219 0.000 2.356 411 G HA2 0.057 4.016 3.960 -0.001 0.000 0.288 411 G HA3 0.057 4.016 3.960 -0.001 0.000 0.288 411 G C -0.295 174.517 174.900 -0.147 0.000 1.302 411 G CA -0.648 44.448 45.100 -0.007 0.000 0.887 411 G HN 0.305 nan 8.290 nan 0.000 0.521 412 F N 0.959 120.847 119.950 -0.103 0.000 2.095 412 F HA 0.022 4.549 4.527 -0.001 0.000 0.298 412 F C 2.644 178.433 175.800 -0.018 0.000 1.104 412 F CA 2.380 60.281 58.000 -0.165 0.000 1.232 412 F CB -0.682 38.091 39.000 -0.378 0.000 0.987 412 F HN 0.467 nan 8.300 nan 0.000 0.475 413 F N 0.375 120.375 119.950 0.084 0.000 2.250 413 F HA -0.119 4.408 4.527 -0.001 0.000 0.301 413 F C 2.321 178.192 175.800 0.120 0.000 1.077 413 F CA 1.502 59.546 58.000 0.075 0.000 1.348 413 F CB -1.296 37.776 39.000 0.119 0.000 1.040 413 F HN -0.087 nan 8.300 nan 0.000 0.509 414 R N 0.687 120.525 120.500 -1.103 0.000 2.096 414 R HA -0.176 4.163 4.340 -0.001 0.000 0.235 414 R C 2.026 178.020 176.300 -0.510 0.000 1.127 414 R CA 1.995 57.612 56.100 -0.805 0.000 0.968 414 R CB -1.006 28.723 30.300 -0.952 0.000 0.861 414 R HN 0.480 nan 8.270 nan 0.000 0.440 415 H N -1.103 117.752 119.070 -0.358 0.000 2.495 415 H HA -0.078 4.477 4.556 -0.001 0.000 0.287 415 H C 1.649 176.809 175.328 -0.280 0.000 1.033 415 H CA 1.038 56.865 56.048 -0.369 0.000 1.307 415 H CB -0.121 29.364 29.762 -0.461 0.000 1.401 415 H HN 0.242 nan 8.280 nan 0.000 0.555 416 Y N 0.876 121.092 120.300 -0.140 0.000 2.181 416 Y HA -0.126 4.423 4.550 -0.001 0.000 0.288 416 Y C 2.874 178.797 175.900 0.039 0.000 1.146 416 Y CA 1.171 59.314 58.100 0.072 0.000 1.164 416 Y CB -0.684 37.951 38.460 0.292 0.000 0.982 416 Y HN 0.198 nan 8.280 nan 0.000 0.515 417 G N -0.392 108.505 108.800 0.163 0.000 2.446 417 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 417 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 417 G C 1.832 176.391 174.900 -0.570 0.000 1.168 417 G CA 1.508 46.605 45.100 -0.005 0.000 0.771 417 G HN 0.285 nan 8.290 nan 0.000 0.551 418 V N 0.912 120.528 119.914 -0.497 0.000 2.287 418 V HA -0.172 3.948 4.120 -0.001 0.000 0.248 418 V C 2.916 178.725 176.094 -0.475 0.000 1.053 418 V CA 1.715 63.691 62.300 -0.541 0.000 1.027 418 V CB -0.436 31.148 31.823 -0.397 0.000 0.646 418 V HN 0.354 nan 8.190 nan 0.000 0.447 419 L N -1.885 119.017 121.223 -0.535 0.000 2.109 419 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 419 L C 2.126 178.590 176.870 -0.676 0.000 1.086 419 L CA 1.484 55.869 54.840 -0.759 0.000 0.760 419 L CB -0.303 40.951 42.059 -1.342 0.000 0.910 419 L HN 0.299 nan 8.230 nan 0.000 0.437 420 F N -0.630 119.232 119.950 -0.148 0.000 2.712 420 F HA 0.344 4.870 4.527 -0.001 0.000 0.297 420 F C 1.319 177.076 175.800 -0.071 0.000 1.114 420 F CA -0.737 57.226 58.000 -0.062 0.000 1.305 420 F CB -0.357 38.676 39.000 0.054 0.000 1.086 420 F HN -0.208 nan 8.300 nan 0.000 0.599 421 A N 1.746 124.543 122.820 -0.038 0.000 2.450 421 A HA 0.315 4.634 4.320 -0.001 0.000 0.255 421 A C 0.656 178.218 177.584 -0.036 0.000 1.096 421 A CA -0.429 51.587 52.037 -0.035 0.000 0.778 421 A CB 0.023 18.953 19.000 -0.117 0.000 1.031 421 A HN 0.309 nan 8.150 nan 0.000 0.494 422 R N 1.906 122.441 120.500 0.059 0.000 2.522 422 R HA 0.365 4.705 4.340 -0.001 0.000 0.284 422 R C -0.370 175.979 176.300 0.081 0.000 1.032 422 R CA 0.735 56.869 56.100 0.058 0.000 1.049 422 R CB 0.224 30.561 30.300 0.062 0.000 0.956 422 R HN 0.843 nan 8.270 nan 0.000 0.422 423 A N 4.204 127.065 122.820 0.069 0.000 2.499 423 A HA 0.195 4.514 4.320 -0.001 0.000 0.280 423 A C -0.906 176.715 177.584 0.062 0.000 1.135 423 A CA -0.721 51.375 52.037 0.099 0.000 0.744 423 A CB 1.431 20.515 19.000 0.140 0.000 1.213 423 A HN 0.836 nan 8.150 nan 0.000 0.434 424 D N 1.562 121.992 120.400 0.050 0.000 2.424 424 D HA 0.199 4.838 4.640 -0.001 0.000 0.220 424 D C 0.339 176.654 176.300 0.025 0.000 1.150 424 D CA 0.646 54.667 54.000 0.034 0.000 0.831 424 D CB 0.179 40.995 40.800 0.026 0.000 0.981 424 D HN 0.750 nan 8.370 nan 0.000 0.500 425 Q N -1.830 117.986 119.800 0.026 0.000 2.578 425 Q HA 0.480 4.819 4.340 -0.001 0.000 0.284 425 Q C -3.053 172.935 176.000 -0.020 0.000 0.960 425 Q CA -2.027 53.778 55.803 0.003 0.000 0.809 425 Q CB 1.120 29.868 28.738 0.015 0.000 1.462 425 Q HN -0.260 nan 8.270 nan 0.000 0.392 426 P HA 0.027 nan 4.420 nan 0.000 0.264 426 P C -0.825 176.363 177.300 -0.186 0.000 1.183 426 P CA 0.461 63.394 63.100 -0.278 0.000 0.763 426 P CB -0.065 31.378 31.700 -0.429 0.000 0.807 427 F N 0.798 120.786 119.950 0.064 0.000 3.084 427 F HA -0.191 4.336 4.527 -0.001 0.000 0.286 427 F C 1.662 177.502 175.800 0.066 0.000 0.855 427 F CA 1.112 59.149 58.000 0.061 0.000 1.091 427 F CB -2.651 36.370 39.000 0.035 0.000 1.177 427 F HN 0.480 nan 8.300 nan 0.000 0.542 428 G N -1.131 107.795 108.800 0.210 0.000 2.484 428 G HA2 0.018 3.978 3.960 -0.001 0.000 0.218 428 G HA3 0.018 3.978 3.960 -0.001 0.000 0.218 428 G C 0.210 175.257 174.900 0.245 0.000 1.130 428 G CA 0.642 45.846 45.100 0.173 0.000 0.784 428 G HN 0.354 nan 8.290 nan 0.000 0.543 429 F N 0.992 121.019 119.950 0.129 0.000 2.427 429 F HA 0.667 5.193 4.527 -0.001 0.000 0.348 429 F C -0.893 175.010 175.800 0.172 0.000 1.125 429 F CA -1.557 56.522 58.000 0.132 0.000 0.989 429 F CB 1.222 40.288 39.000 0.110 0.000 1.165 429 F HN -0.242 nan 8.300 nan 0.000 0.442 430 L N 6.169 127.144 121.223 -0.413 0.000 2.313 430 L HA 0.648 4.987 4.340 -0.001 0.000 0.283 430 L C -0.092 176.541 176.870 -0.396 0.000 1.013 430 L CA -0.370 54.313 54.840 -0.262 0.000 0.816 430 L CB 2.033 44.046 42.059 -0.076 0.000 1.236 430 L HN 0.708 nan 8.230 nan 0.000 0.419 431 T N 0.568 114.982 114.554 -0.232 0.000 2.762 431 T HA 0.267 4.616 4.350 -0.001 0.000 0.301 431 T C -1.215 173.309 174.700 -0.293 0.000 1.299 431 T CA -0.389 61.605 62.100 -0.177 0.000 1.005 431 T CB 2.047 70.743 68.868 -0.287 0.000 1.377 431 T HN 0.373 nan 8.240 nan 0.000 0.504 432 S N 1.177 116.438 115.700 -0.732 0.000 2.415 432 S HA 0.586 5.055 4.470 -0.001 0.000 0.313 432 S C 1.006 175.458 174.600 -0.247 0.000 1.067 432 S CA 0.004 57.779 58.200 -0.709 0.000 1.099 432 S CB 0.031 62.524 63.200 -1.178 0.000 0.991 432 S HN 0.796 nan 8.310 nan 0.000 0.491 433 A N 4.426 127.186 122.820 -0.100 0.000 1.984 433 A HA 0.310 4.630 4.320 -0.001 0.000 0.214 433 A C 1.903 179.436 177.584 -0.084 0.000 1.173 433 A CA 0.973 53.000 52.037 -0.016 0.000 0.673 433 A CB -0.797 18.133 19.000 -0.116 0.000 0.830 433 A HN 0.834 nan 8.150 nan 0.000 0.453 434 G N -1.505 107.233 108.800 -0.104 0.000 2.437 434 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.212 434 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.212 434 G C 1.647 176.501 174.900 -0.077 0.000 1.174 434 G CA 1.158 46.200 45.100 -0.098 0.000 0.811 434 G HN 0.515 nan 8.290 nan 0.000 0.537 435 C N -0.061 119.195 119.300 -0.073 0.000 2.541 435 C HA 0.379 4.838 4.460 -0.001 0.000 0.284 435 C C 1.742 176.702 174.990 -0.051 0.000 1.341 435 C CA 1.211 60.201 59.018 -0.046 0.000 1.732 435 C CB -0.503 27.233 27.740 -0.005 0.000 2.126 435 C HN 0.473 nan 8.230 nan 0.000 0.505 436 S N 1.349 116.993 115.700 -0.094 0.000 3.706 436 S HA -0.166 4.304 4.470 -0.001 0.000 0.363 436 S C 0.099 174.689 174.600 -0.017 0.000 0.999 436 S CA 0.707 58.856 58.200 -0.084 0.000 1.143 436 S CB -1.849 61.331 63.200 -0.035 0.000 0.902 436 S HN 0.881 nan 8.310 nan 0.000 0.476 437 S N 2.142 117.875 115.700 0.055 0.000 2.505 437 S HA 0.513 4.982 4.470 -0.001 0.000 0.276 437 S C 0.638 175.416 174.600 0.297 0.000 1.274 437 S CA -0.787 57.486 58.200 0.122 0.000 1.053 437 S CB -0.036 63.265 63.200 0.169 0.000 0.919 437 S HN 0.540 nan 8.310 nan 0.000 0.490 438 F N 3.696 123.670 119.950 0.041 0.000 2.545 438 F HA 0.505 5.031 4.527 -0.001 0.000 0.348 438 F C 1.290 177.146 175.800 0.094 0.000 1.163 438 F CA -0.784 57.277 58.000 0.102 0.000 1.331 438 F CB -1.186 37.875 39.000 0.102 0.000 1.138 438 F HN 0.853 nan 8.300 nan 0.000 0.602 439 G N 1.952 110.890 108.800 0.230 0.000 2.176 439 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.253 439 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.253 439 G C 0.715 175.878 174.900 0.439 0.000 0.979 439 G CA 0.421 45.614 45.100 0.156 0.000 0.641 439 G HN 1.057 nan 8.290 nan 0.000 0.530 440 Y N 1.720 122.244 120.300 0.373 0.000 2.333 440 Y HA 0.093 4.642 4.550 -0.001 0.000 0.290 440 Y C 2.488 178.437 175.900 0.082 0.000 1.144 440 Y CA 2.438 60.686 58.100 0.247 0.000 1.228 440 Y CB -0.464 38.121 38.460 0.210 0.000 0.985 440 Y HN 0.253 nan 8.280 nan 0.000 0.542 441 G N 0.884 109.786 108.800 0.170 0.000 2.545 441 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.217 441 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.217 441 G C 1.753 176.621 174.900 -0.052 0.000 1.218 441 G CA 1.524 46.676 45.100 0.086 0.000 0.787 441 G HN 0.481 nan 8.290 nan 0.000 0.571 442 I N 2.010 122.566 120.570 -0.023 0.000 2.118 442 I HA -0.152 4.018 4.170 -0.001 0.000 0.241 442 I C 0.124 176.146 176.117 -0.158 0.000 1.070 442 I CA 1.557 62.823 61.300 -0.055 0.000 1.327 442 I CB -0.904 37.054 38.000 -0.070 0.000 1.034 442 I HN 0.220 nan 8.210 nan 0.000 0.405 443 P HA -0.155 nan 4.420 nan 0.000 0.217 443 P C 1.345 178.386 177.300 -0.432 0.000 1.150 443 P CA 1.954 64.835 63.100 -0.364 0.000 0.832 443 P CB -0.062 31.334 31.700 -0.507 0.000 0.787 444 A N 0.479 122.962 122.820 -0.562 0.000 1.930 444 A HA -0.004 4.315 4.320 -0.001 0.000 0.217 444 A C 2.462 179.876 177.584 -0.283 0.000 1.175 444 A CA 1.960 53.663 52.037 -0.557 0.000 0.627 444 A CB -1.464 17.005 19.000 -0.885 0.000 0.815 444 A HN 0.220 nan 8.150 nan 0.000 0.443 445 A N -0.106 122.600 122.820 -0.189 0.000 1.930 445 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 445 A C 2.093 179.638 177.584 -0.065 0.000 1.175 445 A CA 1.376 53.368 52.037 -0.075 0.000 0.627 445 A CB -0.545 18.450 19.000 -0.008 0.000 0.815 445 A HN 0.485 nan 8.150 nan 0.000 0.443 446 I N -0.320 120.191 120.570 -0.099 0.000 2.142 446 I HA -0.217 3.953 4.170 -0.001 0.000 0.240 446 I C 2.745 178.814 176.117 -0.079 0.000 1.078 446 I CA 1.265 62.524 61.300 -0.068 0.000 1.343 446 I CB -0.638 37.315 38.000 -0.079 0.000 1.046 446 I HN 0.394 nan 8.210 nan 0.000 0.405 447 G N 0.299 108.988 108.800 -0.185 0.000 2.440 447 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 447 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 447 G C 1.837 176.679 174.900 -0.096 0.000 1.154 447 G CA 0.883 45.869 45.100 -0.190 0.000 0.767 447 G HN 0.503 nan 8.290 nan 0.000 0.552 448 A N -0.088 122.676 122.820 -0.094 0.000 1.877 448 A HA 0.077 4.396 4.320 -0.001 0.000 0.216 448 A C 1.768 179.349 177.584 -0.005 0.000 1.186 448 A CA 1.787 53.798 52.037 -0.044 0.000 0.620 448 A CB -0.453 18.524 19.000 -0.038 0.000 0.822 448 A HN 0.446 nan 8.150 nan 0.000 0.443 452 R N 0.826 121.344 120.500 0.030 0.000 2.748 452 R HA 0.285 4.624 4.340 -0.001 0.000 0.283 452 R C -2.184 174.133 176.300 0.028 0.000 1.507 452 R CA -1.423 54.696 56.100 0.031 0.000 1.666 452 R CB 1.211 31.530 30.300 0.032 0.000 1.237 452 R HN 0.276 nan 8.270 nan 0.000 0.633 453 P HA -0.145 nan 4.420 nan 0.000 0.219 453 P C -0.096 177.220 177.300 0.027 0.000 1.146 453 P CA 1.232 64.349 63.100 0.028 0.000 0.808 453 P CB 0.385 32.099 31.700 0.024 0.000 0.779 454 D N -0.746 119.668 120.400 0.023 0.000 2.424 454 D HA 0.120 4.759 4.640 -0.001 0.000 0.220 454 D C 0.531 176.842 176.300 0.018 0.000 1.150 454 D CA 0.186 54.199 54.000 0.021 0.000 0.831 454 D CB 0.547 41.358 40.800 0.018 0.000 0.981 454 D HN 0.368 nan 8.370 nan 0.000 0.500 455 Q N 0.844 120.656 119.800 0.018 0.000 2.345 455 Q HA 0.424 4.764 4.340 -0.001 0.000 0.268 455 Q C -2.609 173.396 176.000 0.008 0.000 1.054 455 Q CA -2.008 53.799 55.803 0.007 0.000 0.835 455 Q CB 2.200 30.941 28.738 0.004 0.000 1.339 455 Q HN -0.129 nan 8.270 nan 0.000 0.447 456 P HA 0.074 nan 4.420 nan 0.000 0.271 456 P C -1.066 176.210 177.300 -0.041 0.000 1.216 456 P CA -0.039 63.049 63.100 -0.020 0.000 0.776 456 P CB 0.660 32.272 31.700 -0.146 0.000 0.881 457 T N 3.752 118.367 114.554 0.103 0.000 2.847 457 T HA 0.516 4.865 4.350 -0.001 0.000 0.291 457 T C -0.697 174.250 174.700 0.412 0.000 0.998 457 T CA -0.177 62.009 62.100 0.142 0.000 0.967 457 T CB 0.071 69.004 68.868 0.108 0.000 0.954 457 T HN 0.046 nan 8.240 nan 0.000 0.441 458 F N 2.656 122.643 119.950 0.061 0.000 2.458 458 F HA 0.745 5.271 4.527 -0.001 0.000 0.330 458 F C -0.128 175.709 175.800 0.063 0.000 1.082 458 F CA -2.142 55.897 58.000 0.064 0.000 0.995 458 F CB 1.569 40.616 39.000 0.078 0.000 1.170 458 F HN 0.309 nan 8.300 nan 0.000 0.478 459 L N 4.611 125.963 121.223 0.215 0.000 2.362 459 L HA 0.648 4.987 4.340 -0.001 0.000 0.275 459 L C -1.339 175.581 176.870 0.084 0.000 0.998 459 L CA -0.465 54.458 54.840 0.139 0.000 0.820 459 L CB 1.574 43.691 42.059 0.098 0.000 1.270 459 L HN 0.584 nan 8.230 nan 0.000 0.415 460 I N 4.745 125.395 120.570 0.132 0.000 2.377 460 I HA 0.859 5.028 4.170 -0.001 0.000 0.293 460 I C -0.761 175.374 176.117 0.030 0.000 0.987 460 I CA -0.247 61.083 61.300 0.050 0.000 1.185 460 I CB 1.429 39.523 38.000 0.157 0.000 1.341 460 I HN 0.908 nan 8.210 nan 0.000 0.455 461 A N 4.918 127.550 122.820 -0.312 0.000 2.572 461 A HA 0.796 5.115 4.320 -0.001 0.000 0.295 461 A C -0.542 176.509 177.584 -0.887 0.000 1.072 461 A CA -0.400 51.389 52.037 -0.413 0.000 0.691 461 A CB 1.356 20.363 19.000 0.013 0.000 1.291 461 A HN 0.806 nan 8.150 nan 0.000 0.404 462 G N -0.212 108.046 108.800 -0.904 0.000 2.477 462 G HA2 0.440 4.400 3.960 -0.001 0.000 0.304 462 G HA3 0.440 4.400 3.960 -0.001 0.000 0.304 462 G C 0.474 175.256 174.900 -0.198 0.000 1.175 462 G CA 0.315 45.112 45.100 -0.505 0.000 0.907 462 G HN 0.816 nan 8.290 nan 0.000 0.509 463 D N 0.169 120.488 120.400 -0.136 0.000 2.123 463 D HA -0.126 4.514 4.640 -0.001 0.000 0.196 463 D C 2.122 178.496 176.300 0.123 0.000 0.992 463 D CA 1.439 55.391 54.000 -0.080 0.000 0.833 463 D CB -0.757 40.138 40.800 0.158 0.000 0.954 463 D HN 0.465 nan 8.370 nan 0.000 0.455 464 G N 0.961 109.915 108.800 0.257 0.000 2.484 464 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.215 464 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.215 464 G C 1.808 176.769 174.900 0.101 0.000 1.219 464 G CA 1.334 46.619 45.100 0.309 0.000 0.791 464 G HN 0.474 nan 8.290 nan 0.000 0.550 465 G N 0.147 109.071 108.800 0.207 0.000 2.421 465 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.216 465 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.216 465 G C 1.674 176.522 174.900 -0.087 0.000 1.171 465 G CA 0.931 46.053 45.100 0.036 0.000 0.775 465 G HN 0.328 nan 8.290 nan 0.000 0.543 466 F N 0.905 120.791 119.950 -0.106 0.000 2.095 466 F HA -0.109 4.418 4.527 -0.001 0.000 0.298 466 F C 2.451 178.224 175.800 -0.044 0.000 1.104 466 F CA 2.025 59.948 58.000 -0.128 0.000 1.232 466 F CB -0.263 38.560 39.000 -0.297 0.000 0.987 466 F HN 0.260 nan 8.300 nan 0.000 0.475 467 H N -0.223 118.810 119.070 -0.061 0.000 2.495 467 H HA -0.019 4.536 4.556 -0.001 0.000 0.287 467 H C 2.447 177.592 175.328 -0.306 0.000 1.033 467 H CA 1.052 57.050 56.048 -0.083 0.000 1.307 467 H CB -0.430 29.373 29.762 0.069 0.000 1.401 467 H HN 0.347 nan 8.280 nan 0.000 0.555 468 S N -0.903 114.520 115.700 -0.462 0.000 2.440 468 S HA -0.151 4.318 4.470 -0.001 0.000 0.238 468 S C 1.429 175.722 174.600 -0.511 0.000 1.010 468 S CA 1.515 59.314 58.200 -0.668 0.000 0.972 468 S CB -0.050 62.280 63.200 -1.450 0.000 0.774 468 S HN 0.438 nan 8.310 nan 0.000 0.501 469 N N 0.061 118.497 118.700 -0.440 0.000 2.475 469 N HA 0.207 4.947 4.740 -0.001 0.000 0.272 469 N C 0.753 176.032 175.510 -0.386 0.000 1.482 469 N CA 0.553 53.406 53.050 -0.327 0.000 0.863 469 N CB 0.607 39.003 38.487 -0.151 0.000 1.400 469 N HN 0.364 nan 8.380 nan 0.000 0.489 470 S N -2.114 113.310 115.700 -0.459 0.000 2.489 470 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 470 S C 1.628 176.088 174.600 -0.233 0.000 0.995 470 S CA 0.558 58.437 58.200 -0.535 0.000 0.934 470 S CB -0.053 62.996 63.200 -0.252 0.000 0.771 470 S HN 0.126 nan 8.310 nan 0.000 0.522 471 S N 2.070 117.673 115.700 -0.162 0.000 2.423 471 S HA -0.038 4.432 4.470 -0.001 0.000 0.231 471 S C 1.192 175.767 174.600 -0.042 0.000 1.014 471 S CA 0.868 59.026 58.200 -0.070 0.000 0.965 471 S CB -0.384 62.785 63.200 -0.051 0.000 0.785 471 S HN 0.552 nan 8.310 nan 0.000 0.495 472 D N 1.242 121.604 120.400 -0.064 0.000 2.371 472 D HA 0.078 4.717 4.640 -0.001 0.000 0.234 472 D C 1.456 177.744 176.300 -0.020 0.000 1.049 472 D CA 0.121 54.102 54.000 -0.032 0.000 0.907 472 D CB -0.040 40.739 40.800 -0.035 0.000 0.891 472 D HN 0.357 nan 8.370 nan 0.000 0.531 473 L N 0.716 121.930 121.223 -0.016 0.000 2.079 473 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 473 L C 2.553 179.446 176.870 0.038 0.000 1.081 473 L CA 1.104 55.968 54.840 0.041 0.000 0.752 473 L CB -0.227 41.884 42.059 0.087 0.000 0.896 473 L HN 0.003 nan 8.230 nan 0.000 0.433 474 E N -0.151 120.066 120.200 0.027 0.000 2.110 474 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 474 E C 1.953 178.570 176.600 0.029 0.000 0.988 474 E CA 1.880 58.297 56.400 0.028 0.000 0.804 474 E CB 0.025 29.740 29.700 0.025 0.000 0.745 474 E HN 0.450 nan 8.360 nan 0.000 0.458 475 T N 1.522 116.091 114.554 0.026 0.000 2.746 475 T HA -0.089 4.261 4.350 -0.001 0.000 0.267 475 T C 2.095 176.813 174.700 0.029 0.000 1.039 475 T CA 1.270 63.386 62.100 0.027 0.000 1.142 475 T CB -0.182 68.701 68.868 0.025 0.000 0.866 475 T HN 0.176 nan 8.240 nan 0.000 0.444 476 I N 1.378 121.966 120.570 0.031 0.000 2.163 476 I HA -0.237 3.933 4.170 -0.001 0.000 0.243 476 I C 2.944 179.086 176.117 0.042 0.000 1.085 476 I CA 1.295 62.618 61.300 0.039 0.000 1.347 476 I CB -0.508 37.521 38.000 0.049 0.000 1.044 476 I HN 0.212 nan 8.210 nan 0.000 0.408 477 A N 0.671 123.516 122.820 0.042 0.000 1.877 477 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 477 A C 2.415 180.019 177.584 0.033 0.000 1.186 477 A CA 1.984 54.045 52.037 0.040 0.000 0.620 477 A CB -0.678 18.345 19.000 0.039 0.000 0.822 477 A HN 0.377 nan 8.150 nan 0.000 0.443 478 R N -0.299 120.218 120.500 0.029 0.000 2.081 478 R HA -0.025 4.314 4.340 -0.001 0.000 0.235 478 R C 1.647 177.960 176.300 0.021 0.000 1.131 478 R CA 1.607 57.721 56.100 0.024 0.000 0.960 478 R CB -0.368 29.947 30.300 0.024 0.000 0.856 478 R HN 0.504 nan 8.270 nan 0.000 0.436 479 L N 0.610 121.847 121.223 0.023 0.000 2.554 479 L HA 0.045 4.384 4.340 -0.001 0.000 0.226 479 L C 0.409 177.294 176.870 0.024 0.000 1.137 479 L CA 0.066 54.917 54.840 0.019 0.000 0.863 479 L CB -0.446 41.627 42.059 0.023 0.000 0.985 479 L HN 0.352 nan 8.230 nan 0.000 0.451 480 N N 1.124 119.842 118.700 0.030 0.000 2.714 480 N HA -0.210 4.529 4.740 -0.001 0.000 0.253 480 N C -0.632 174.901 175.510 0.039 0.000 1.024 480 N CA 0.436 53.507 53.050 0.035 0.000 0.726 480 N CB -1.232 37.273 38.487 0.029 0.000 0.908 480 N HN 0.269 nan 8.380 nan 0.000 0.542 481 L N 0.782 122.032 121.223 0.044 0.000 2.278 481 L HA 0.356 4.696 4.340 -0.001 0.000 0.287 481 L C -1.276 175.632 176.870 0.063 0.000 1.072 481 L CA -1.687 53.182 54.840 0.049 0.000 0.819 481 L CB 1.023 43.110 42.059 0.046 0.000 1.176 481 L HN 0.088 nan 8.230 nan 0.000 0.435 482 P HA 0.085 nan 4.420 nan 0.000 0.237 482 P C 0.042 177.410 177.300 0.113 0.000 1.723 482 P CA 0.043 63.194 63.100 0.084 0.000 0.882 482 P CB -0.368 31.376 31.700 0.074 0.000 1.810 483 I N 0.115 120.750 120.570 0.108 0.000 2.556 483 I HA 0.018 4.187 4.170 -0.001 0.000 0.284 483 I C 0.660 176.850 176.117 0.121 0.000 1.114 483 I CA -0.237 61.139 61.300 0.127 0.000 1.418 483 I CB 0.910 38.968 38.000 0.096 0.000 1.394 483 I HN -0.159 nan 8.210 nan 0.000 0.552 484 V N 5.744 125.731 119.914 0.123 0.000 2.350 484 V HA 0.270 4.389 4.120 -0.001 0.000 0.276 484 V C 0.181 176.231 176.094 -0.073 0.000 1.028 484 V CA -0.439 61.851 62.300 -0.018 0.000 0.860 484 V CB 1.108 32.757 31.823 -0.289 0.000 0.990 484 V HN 0.734 nan 8.190 nan 0.000 0.453 485 T N 4.707 119.207 114.554 -0.090 0.000 2.794 485 T HA 0.564 4.913 4.350 -0.001 0.000 0.280 485 T C -0.257 174.293 174.700 -0.249 0.000 0.987 485 T CA -0.372 61.642 62.100 -0.143 0.000 0.993 485 T CB 1.669 70.454 68.868 -0.138 0.000 0.939 485 T HN 0.340 nan 8.240 nan 0.000 0.449 486 V N 4.015 123.777 119.914 -0.252 0.000 2.357 486 V HA 0.366 4.485 4.120 -0.001 0.000 0.284 486 V C -0.124 175.716 176.094 -0.422 0.000 1.018 486 V CA -0.800 61.323 62.300 -0.295 0.000 0.841 486 V CB 1.619 33.322 31.823 -0.200 0.000 0.991 486 V HN 0.706 nan 8.190 nan 0.000 0.437 487 V N 6.099 125.685 119.914 -0.547 0.000 2.333 487 V HA 0.282 4.402 4.120 -0.001 0.000 0.274 487 V C 0.140 175.923 176.094 -0.518 0.000 1.028 487 V CA -0.594 61.276 62.300 -0.717 0.000 0.851 487 V CB 1.693 32.854 31.823 -1.103 0.000 1.000 487 V HN 0.735 nan 8.190 nan 0.000 0.456 488 V N 2.476 122.096 119.914 -0.490 0.000 2.368 488 V HA 0.531 4.651 4.120 -0.001 0.000 0.266 488 V C 0.031 175.954 176.094 -0.284 0.000 1.045 488 V CA -0.438 61.650 62.300 -0.354 0.000 0.899 488 V CB 0.963 32.596 31.823 -0.317 0.000 1.006 488 V HN 0.745 nan 8.190 nan 0.000 0.470 489 N N 4.927 123.506 118.700 -0.201 0.000 2.424 489 N HA 0.379 5.118 4.740 -0.001 0.000 0.271 489 N C 0.195 175.687 175.510 -0.030 0.000 0.985 489 N CA -0.440 52.565 53.050 -0.075 0.000 0.921 489 N CB 1.530 40.028 38.487 0.017 0.000 1.149 489 N HN 0.896 nan 8.380 nan 0.000 0.492 490 N N 2.231 120.962 118.700 0.052 0.000 2.241 490 N HA 0.069 4.809 4.740 -0.001 0.000 0.238 490 N C -1.036 174.560 175.510 0.144 0.000 1.244 490 N CA -0.192 52.892 53.050 0.056 0.000 0.880 490 N CB 0.033 38.528 38.487 0.013 0.000 1.179 490 N HN 0.455 nan 8.380 nan 0.000 0.513 491 D N -0.003 120.527 120.400 0.217 0.000 2.811 491 D HA -0.136 4.504 4.640 -0.001 0.000 0.231 491 D C -0.922 175.575 176.300 0.329 0.000 1.157 491 D CA 1.259 55.438 54.000 0.299 0.000 0.716 491 D CB -1.691 39.216 40.800 0.177 0.000 1.077 491 D HN 0.475 nan 8.370 nan 0.000 0.428 492 T N 0.043 114.818 114.554 0.369 0.000 2.932 492 T HA 0.208 4.558 4.350 -0.001 0.000 0.318 492 T C -0.114 174.777 174.700 0.318 0.000 1.265 492 T CA -0.850 61.350 62.100 0.167 0.000 1.036 492 T CB 1.469 70.436 68.868 0.166 0.000 1.209 492 T HN -0.165 nan 8.240 nan 0.000 0.484 493 N N 1.883 120.669 118.700 0.144 0.000 2.671 493 N HA 0.181 4.921 4.740 -0.001 0.000 0.274 493 N C 1.479 177.118 175.510 0.216 0.000 1.188 493 N CA 0.012 53.225 53.050 0.272 0.000 1.065 493 N CB 0.655 39.263 38.487 0.201 0.000 1.415 493 N HN 0.894 nan 8.380 nan 0.000 0.511 494 G N 1.206 110.193 108.800 0.312 0.000 2.421 494 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.216 494 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.216 494 G C 1.491 176.416 174.900 0.042 0.000 1.171 494 G CA 0.295 45.583 45.100 0.315 0.000 0.775 494 G HN 0.478 nan 8.290 nan 0.000 0.543 495 L N 0.765 121.999 121.223 0.019 0.000 2.081 495 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 495 L C 2.444 179.267 176.870 -0.078 0.000 1.080 495 L CA 1.481 56.246 54.840 -0.124 0.000 0.754 495 L CB -0.247 41.865 42.059 0.089 0.000 0.893 495 L HN 0.144 nan 8.230 nan 0.000 0.433 496 I N -0.701 119.891 120.570 0.036 0.000 2.406 496 I HA -0.180 3.990 4.170 -0.001 0.000 0.249 496 I C 2.467 178.584 176.117 0.001 0.000 1.122 496 I CA 1.107 62.446 61.300 0.064 0.000 1.431 496 I CB -1.434 36.597 38.000 0.051 0.000 1.087 496 I HN 0.467 nan 8.210 nan 0.000 0.424 497 E N 1.075 121.264 120.200 -0.018 0.000 2.110 497 E HA -0.251 4.099 4.350 -0.001 0.000 0.193 497 E C 2.265 178.741 176.600 -0.206 0.000 0.988 497 E CA 0.945 57.351 56.400 0.011 0.000 0.804 497 E CB -0.001 29.820 29.700 0.202 0.000 0.745 497 E HN 0.279 nan 8.360 nan 0.000 0.458 498 L N 0.229 121.034 121.223 -0.697 0.000 2.012 498 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 498 L C 1.916 178.373 176.870 -0.689 0.000 1.073 498 L CA 1.852 55.954 54.840 -1.230 0.000 0.748 498 L CB -0.842 40.130 42.059 -1.813 0.000 0.891 498 L HN 0.203 nan 8.230 nan 0.000 0.431 499 Y N 0.083 120.139 120.300 -0.406 0.000 2.224 499 Y HA -0.235 4.315 4.550 -0.001 0.000 0.289 499 Y C 2.718 178.536 175.900 -0.136 0.000 1.146 499 Y CA 1.746 59.695 58.100 -0.251 0.000 1.182 499 Y CB -0.496 37.857 38.460 -0.178 0.000 0.983 499 Y HN 0.380 nan 8.280 nan 0.000 0.524 500 Q N -0.161 119.677 119.800 0.062 0.000 2.061 500 Q HA -0.228 4.112 4.340 -0.001 0.000 0.204 500 Q C 1.933 177.995 176.000 0.103 0.000 0.984 500 Q CA 1.546 57.431 55.803 0.136 0.000 0.846 500 Q CB -0.282 28.504 28.738 0.081 0.000 0.902 500 Q HN 0.551 nan 8.270 nan 0.000 0.421 501 N N 0.404 119.101 118.700 -0.005 0.000 2.216 501 N HA -0.073 4.666 4.740 -0.001 0.000 0.183 501 N C 1.908 177.357 175.510 -0.103 0.000 1.017 501 N CA 0.868 53.920 53.050 0.002 0.000 0.861 501 N CB -0.020 38.504 38.487 0.061 0.000 0.986 501 N HN 0.251 nan 8.380 nan 0.000 0.428 502 I N 0.733 121.196 120.570 -0.177 0.000 2.163 502 I HA -0.183 3.986 4.170 -0.001 0.000 0.243 502 I C 2.467 178.399 176.117 -0.307 0.000 1.085 502 I CA 1.416 62.594 61.300 -0.204 0.000 1.347 502 I CB -0.510 37.350 38.000 -0.233 0.000 1.044 502 I HN 0.138 nan 8.210 nan 0.000 0.408 503 G N -0.934 107.699 108.800 -0.279 0.000 2.430 503 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.216 503 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.216 503 G C 1.354 175.828 174.900 -0.711 0.000 1.146 503 G CA 0.396 45.207 45.100 -0.481 0.000 0.793 503 G HN 0.444 nan 8.290 nan 0.000 0.537 504 H N -1.513 117.394 119.070 -0.271 0.000 3.360 504 H HA 0.134 4.689 4.556 -0.001 0.000 0.262 504 H C 0.322 175.588 175.328 -0.104 0.000 1.149 504 H CA 0.094 56.040 56.048 -0.170 0.000 1.181 504 H CB 0.677 30.398 29.762 -0.069 0.000 1.564 504 H HN 0.361 nan 8.280 nan 0.000 0.565 505 H N 0.726 119.860 119.070 0.107 0.000 2.861 505 H HA -0.159 4.397 4.556 -0.001 0.000 0.289 505 H C 0.393 175.778 175.328 0.095 0.000 1.176 505 H CA 1.343 57.441 56.048 0.083 0.000 1.146 505 H CB -1.310 28.487 29.762 0.058 0.000 1.330 505 H HN 0.605 nan 8.280 nan 0.000 0.379 506 R N -1.898 118.706 120.500 0.174 0.000 2.728 506 R HA 0.653 4.992 4.340 -0.001 0.000 0.274 506 R C -1.165 175.204 176.300 0.114 0.000 1.032 506 R CA -0.738 55.444 56.100 0.137 0.000 0.866 506 R CB 1.046 31.416 30.300 0.115 0.000 1.263 506 R HN -0.027 nan 8.270 nan 0.000 0.475 507 S N -0.161 115.602 115.700 0.106 0.000 2.687 507 S HA 0.363 4.832 4.470 -0.001 0.000 0.283 507 S C -1.026 173.643 174.600 0.115 0.000 1.170 507 S CA -0.557 57.702 58.200 0.098 0.000 1.008 507 S CB 0.825 64.082 63.200 0.094 0.000 1.026 507 S HN 0.651 nan 8.310 nan 0.000 0.541 508 H N 0.524 119.579 119.070 -0.025 0.000 3.036 508 H HA 0.344 4.900 4.556 -0.001 0.000 0.295 508 H C -0.215 175.090 175.328 -0.037 0.000 1.124 508 H CA -0.604 55.419 56.048 -0.042 0.000 1.507 508 H CB 0.221 29.936 29.762 -0.079 0.000 1.591 508 H HN 0.443 nan 8.280 nan 0.000 0.510 509 D N 4.659 124.890 120.400 -0.282 0.000 2.149 509 D HA -0.117 4.522 4.640 -0.001 0.000 0.198 509 D C -0.788 175.340 176.300 -0.288 0.000 0.990 509 D CA 0.907 54.770 54.000 -0.229 0.000 0.839 509 D CB -0.863 39.842 40.800 -0.157 0.000 0.948 509 D HN 0.542 nan 8.370 nan 0.000 0.460 510 P HA -0.073 nan 4.420 nan 0.000 0.221 510 P C 0.803 178.015 177.300 -0.148 0.000 1.145 510 P CA 1.468 64.401 63.100 -0.278 0.000 0.795 510 P CB 0.033 31.550 31.700 -0.305 0.000 0.775 511 A N -1.344 121.405 122.820 -0.117 0.000 2.195 511 A HA 0.130 4.449 4.320 -0.001 0.000 0.210 511 A C 1.687 179.220 177.584 -0.084 0.000 1.165 511 A CA 1.072 53.092 52.037 -0.029 0.000 0.806 511 A CB -0.475 18.562 19.000 0.062 0.000 0.847 511 A HN 0.194 nan 8.150 nan 0.000 0.482 512 V N -5.750 114.067 119.914 -0.161 0.000 3.332 512 V HA 0.333 4.452 4.120 -0.001 0.000 0.263 512 V C -0.018 175.797 176.094 -0.465 0.000 1.562 512 V CA -0.336 61.827 62.300 -0.228 0.000 1.040 512 V CB -0.146 31.624 31.823 -0.088 0.000 0.857 512 V HN 0.053 nan 8.190 nan 0.000 0.428 513 K N 1.561 121.730 120.400 -0.384 0.000 2.172 513 K HA 0.630 4.949 4.320 -0.001 0.000 0.276 513 K C -1.195 175.160 176.600 -0.409 0.000 1.013 513 K CA -0.205 55.870 56.287 -0.352 0.000 0.913 513 K CB 1.607 34.020 32.500 -0.145 0.000 1.055 513 K HN 0.304 nan 8.250 nan 0.000 0.461 514 F N -0.623 119.368 119.950 0.068 0.000 2.557 514 F HA 0.480 5.007 4.527 -0.001 0.000 0.336 514 F C 1.382 177.204 175.800 0.037 0.000 1.058 514 F CA -0.799 57.239 58.000 0.063 0.000 0.988 514 F CB 0.701 39.758 39.000 0.094 0.000 1.275 514 F HN 0.561 nan 8.300 nan 0.000 0.488 515 G N -0.591 108.353 108.800 0.239 0.000 2.535 515 G HA2 0.457 4.417 3.960 -0.001 0.000 0.282 515 G HA3 0.457 4.417 3.960 -0.001 0.000 0.282 515 G C -0.155 174.795 174.900 0.082 0.000 1.350 515 G CA -0.554 44.615 45.100 0.117 0.000 1.039 515 G HN 0.887 nan 8.290 nan 0.000 0.509 516 G N -1.591 107.217 108.800 0.015 0.000 2.378 516 G HA2 0.438 4.398 3.960 -0.001 0.000 0.255 516 G HA3 0.438 4.398 3.960 -0.001 0.000 0.255 516 G C -0.678 174.135 174.900 -0.146 0.000 1.270 516 G CA -0.073 45.002 45.100 -0.042 0.000 0.876 516 G HN 0.561 nan 8.290 nan 0.000 0.521 517 V N 3.187 122.935 119.914 -0.276 0.000 2.487 517 V HA 0.210 4.329 4.120 -0.001 0.000 0.298 517 V C -0.612 175.106 176.094 -0.627 0.000 1.028 517 V CA -0.914 61.029 62.300 -0.596 0.000 0.860 517 V CB 1.917 33.058 31.823 -1.136 0.000 0.991 517 V HN 0.768 nan 8.190 nan 0.000 0.427 518 D N 3.565 123.683 120.400 -0.471 0.000 2.422 518 D HA 0.247 4.886 4.640 -0.001 0.000 0.227 518 D C 0.590 176.682 176.300 -0.347 0.000 1.190 518 D CA -0.168 53.649 54.000 -0.304 0.000 0.905 518 D CB 0.587 41.280 40.800 -0.177 0.000 1.034 518 D HN 0.367 nan 8.370 nan 0.000 0.507 519 F N 2.089 121.950 119.950 -0.150 0.000 2.325 519 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 519 F C 2.355 178.071 175.800 -0.140 0.000 1.090 519 F CA 0.237 58.148 58.000 -0.148 0.000 1.392 519 F CB -0.212 38.658 39.000 -0.217 0.000 1.053 519 F HN 0.272 nan 8.300 nan 0.000 0.521 520 V N 0.063 119.973 119.914 -0.006 0.000 2.261 520 V HA -0.324 3.795 4.120 -0.001 0.000 0.246 520 V C 2.609 178.667 176.094 -0.060 0.000 1.047 520 V CA 1.961 64.219 62.300 -0.070 0.000 1.015 520 V CB -1.354 30.418 31.823 -0.085 0.000 0.642 520 V HN 0.349 nan 8.190 nan 0.000 0.446 521 A N -0.588 122.193 122.820 -0.064 0.000 1.930 521 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 521 A C 2.166 179.725 177.584 -0.042 0.000 1.175 521 A CA 1.905 53.908 52.037 -0.057 0.000 0.627 521 A CB -0.546 18.412 19.000 -0.070 0.000 0.815 521 A HN 0.445 nan 8.150 nan 0.000 0.443 522 L N -0.242 120.953 121.223 -0.048 0.000 1.989 522 L HA -0.137 4.202 4.340 -0.001 0.000 0.211 522 L C 2.816 179.717 176.870 0.053 0.000 1.071 522 L CA 2.149 56.990 54.840 0.001 0.000 0.749 522 L CB -0.579 41.488 42.059 0.014 0.000 0.890 522 L HN 0.359 nan 8.230 nan 0.000 0.431 523 A N -0.949 121.909 122.820 0.063 0.000 1.908 523 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 523 A C 2.146 179.740 177.584 0.017 0.000 1.181 523 A CA 1.916 53.984 52.037 0.051 0.000 0.627 523 A CB -0.643 18.354 19.000 -0.006 0.000 0.818 523 A HN 0.616 nan 8.150 nan 0.000 0.445 524 E N -0.300 119.896 120.200 -0.006 0.000 2.150 524 E HA -0.077 4.272 4.350 -0.001 0.000 0.193 524 E C 2.238 178.841 176.600 0.006 0.000 0.985 524 E CA 0.787 57.184 56.400 -0.004 0.000 0.814 524 E CB -0.279 29.411 29.700 -0.015 0.000 0.752 524 E HN 0.626 nan 8.360 nan 0.000 0.466 525 A N 1.851 124.675 122.820 0.006 0.000 2.019 525 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 525 A C 1.791 179.385 177.584 0.017 0.000 1.164 525 A CA 1.057 53.099 52.037 0.009 0.000 0.644 525 A CB -0.253 18.750 19.000 0.005 0.000 0.805 525 A HN 0.142 nan 8.150 nan 0.000 0.449 526 N N -0.908 117.808 118.700 0.026 0.000 2.398 526 N HA 0.100 4.840 4.740 -0.001 0.000 0.188 526 N C 0.981 176.509 175.510 0.030 0.000 1.122 526 N CA 0.891 53.960 53.050 0.031 0.000 0.866 526 N CB 0.352 38.865 38.487 0.044 0.000 0.970 526 N HN 0.618 nan 8.380 nan 0.000 0.462 527 G N 0.626 109.442 108.800 0.026 0.000 2.137 527 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.237 527 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.237 527 G C -0.240 174.682 174.900 0.036 0.000 1.002 527 G CA -0.109 45.008 45.100 0.029 0.000 0.702 527 G HN 0.152 nan 8.290 nan 0.000 0.515 528 V N 1.217 121.150 119.914 0.032 0.000 2.357 528 V HA 0.386 4.506 4.120 -0.001 0.000 0.284 528 V C 0.094 176.193 176.094 0.008 0.000 1.018 528 V CA -1.168 61.152 62.300 0.034 0.000 0.841 528 V CB 1.560 33.402 31.823 0.031 0.000 0.991 528 V HN 0.260 nan 8.190 nan 0.000 0.437 529 D N 3.803 124.238 120.400 0.058 0.000 2.472 529 D HA 0.502 5.141 4.640 -0.001 0.000 0.237 529 D C 0.218 176.391 176.300 -0.212 0.000 1.141 529 D CA 0.743 54.787 54.000 0.072 0.000 0.875 529 D CB 1.310 42.285 40.800 0.291 0.000 1.192 529 D HN 0.854 nan 8.370 nan 0.000 0.450 530 A N 1.291 123.932 122.820 -0.297 0.000 2.609 530 A HA 0.746 5.066 4.320 -0.001 0.000 0.291 530 A C -0.567 176.793 177.584 -0.374 0.000 1.096 530 A CA -0.615 51.063 52.037 -0.599 0.000 0.684 530 A CB 2.360 21.154 19.000 -0.343 0.000 1.282 530 A HN 0.412 nan 8.150 nan 0.000 0.412 531 T N -0.438 113.878 114.554 -0.397 0.000 2.853 531 T HA 0.565 4.914 4.350 -0.001 0.000 0.311 531 T C -1.137 173.483 174.700 -0.132 0.000 1.307 531 T CA -0.545 61.472 62.100 -0.138 0.000 1.019 531 T CB 1.350 70.249 68.868 0.050 0.000 1.264 531 T HN 0.851 nan 8.240 nan 0.000 0.497 532 R N 1.622 122.078 120.500 -0.074 0.000 2.368 532 R HA 0.785 5.125 4.340 -0.001 0.000 0.302 532 R C -1.053 175.217 176.300 -0.050 0.000 1.002 532 R CA -0.454 55.604 56.100 -0.070 0.000 0.929 532 R CB 0.930 31.198 30.300 -0.054 0.000 1.073 532 R HN 0.676 nan 8.270 nan 0.000 0.464 533 A N 2.177 124.960 122.820 -0.061 0.000 2.374 533 A HA 0.359 4.678 4.320 -0.001 0.000 0.305 533 A C 0.146 177.696 177.584 -0.056 0.000 1.053 533 A CA -0.602 51.406 52.037 -0.047 0.000 0.726 533 A CB 1.646 20.619 19.000 -0.044 0.000 1.229 533 A HN 0.874 nan 8.150 nan 0.000 0.431 534 T N -1.611 112.917 114.554 -0.043 0.000 3.043 534 T HA 0.290 4.640 4.350 -0.001 0.000 0.272 534 T C 0.171 174.850 174.700 -0.036 0.000 0.990 534 T CA 0.395 62.469 62.100 -0.044 0.000 0.897 534 T CB -0.611 68.236 68.868 -0.035 0.000 1.111 534 T HN 0.902 nan 8.240 nan 0.000 0.529 535 N N -0.302 118.379 118.700 -0.032 0.000 2.853 535 N HA 0.432 5.171 4.740 -0.001 0.000 0.258 535 N C 0.405 175.900 175.510 -0.025 0.000 1.444 535 N CA -1.164 51.871 53.050 -0.025 0.000 0.837 535 N CB 1.013 39.489 38.487 -0.019 0.000 1.489 535 N HN -0.182 nan 8.380 nan 0.000 0.529 536 R N -0.175 120.313 120.500 -0.020 0.000 2.091 536 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 536 R C 1.396 177.689 176.300 -0.011 0.000 1.136 536 R CA 1.909 58.000 56.100 -0.016 0.000 0.959 536 R CB -0.236 30.058 30.300 -0.010 0.000 0.856 536 R HN 0.791 nan 8.270 nan 0.000 0.437 537 E N 0.920 121.113 120.200 -0.011 0.000 2.051 537 E HA -0.226 4.124 4.350 -0.001 0.000 0.192 537 E C 1.704 178.299 176.600 -0.008 0.000 0.991 537 E CA 1.418 57.813 56.400 -0.008 0.000 0.799 537 E CB 0.129 29.823 29.700 -0.009 0.000 0.748 537 E HN 0.361 nan 8.360 nan 0.000 0.449 538 E N 0.076 120.269 120.200 -0.011 0.000 2.106 538 E HA -0.192 4.158 4.350 -0.001 0.000 0.192 538 E C 2.137 178.734 176.600 -0.006 0.000 0.984 538 E CA 0.783 57.178 56.400 -0.008 0.000 0.806 538 E CB -0.061 29.632 29.700 -0.012 0.000 0.750 538 E HN 0.200 nan 8.360 nan 0.000 0.458 539 L N 0.984 122.197 121.223 -0.016 0.000 2.017 539 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 539 L C 2.026 178.890 176.870 -0.010 0.000 1.073 539 L CA 1.522 56.350 54.840 -0.021 0.000 0.745 539 L CB -0.402 41.637 42.059 -0.034 0.000 0.894 539 L HN 0.119 nan 8.230 nan 0.000 0.432 540 L N -0.625 120.596 121.223 -0.003 0.000 2.012 540 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 540 L C 2.675 179.545 176.870 0.000 0.000 1.073 540 L CA 1.345 56.189 54.840 0.006 0.000 0.748 540 L CB -0.946 41.120 42.059 0.011 0.000 0.891 540 L HN 0.399 nan 8.230 nan 0.000 0.431 541 A N -0.091 122.727 122.820 -0.003 0.000 1.908 541 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 541 A C 2.514 180.087 177.584 -0.018 0.000 1.181 541 A CA 1.890 53.921 52.037 -0.011 0.000 0.627 541 A CB -0.763 18.233 19.000 -0.007 0.000 0.818 541 A HN 0.426 nan 8.150 nan 0.000 0.445 542 A N -0.455 122.374 122.820 0.015 0.000 1.902 542 A HA -0.009 4.311 4.320 -0.001 0.000 0.217 542 A C 2.182 179.785 177.584 0.031 0.000 1.181 542 A CA 1.476 53.563 52.037 0.084 0.000 0.623 542 A CB -0.586 18.502 19.000 0.147 0.000 0.818 542 A HN 0.465 nan 8.150 nan 0.000 0.443 543 L N -1.163 120.047 121.223 -0.021 0.000 2.046 543 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 543 L C 2.866 179.686 176.870 -0.083 0.000 1.077 543 L CA 1.444 56.223 54.840 -0.102 0.000 0.747 543 L CB -0.395 41.606 42.059 -0.096 0.000 0.896 543 L HN 0.331 nan 8.230 nan 0.000 0.432 544 R N -0.144 120.331 120.500 -0.042 0.000 2.092 544 R HA -0.176 4.163 4.340 -0.001 0.000 0.231 544 R C 2.318 178.558 176.300 -0.100 0.000 1.119 544 R CA 1.241 57.323 56.100 -0.030 0.000 0.970 544 R CB -0.214 30.078 30.300 -0.013 0.000 0.864 544 R HN 0.255 nan 8.270 nan 0.000 0.440 545 K N 0.262 120.554 120.400 -0.180 0.000 2.002 545 K HA -0.131 4.189 4.320 -0.001 0.000 0.209 545 K C 2.086 178.397 176.600 -0.482 0.000 1.048 545 K CA 1.765 57.858 56.287 -0.324 0.000 0.930 545 K CB -0.353 31.901 32.500 -0.411 0.000 0.714 545 K HN 0.240 nan 8.250 nan 0.000 0.438 546 G N 0.394 108.842 108.800 -0.586 0.000 2.446 546 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.217 546 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.217 546 G C 1.595 176.407 174.900 -0.147 0.000 1.168 546 G CA 1.004 45.831 45.100 -0.455 0.000 0.771 546 G HN 0.468 nan 8.290 nan 0.000 0.551 547 A N 0.437 123.224 122.820 -0.054 0.000 2.019 547 A HA 0.028 4.348 4.320 -0.001 0.000 0.219 547 A C 2.040 179.651 177.584 0.044 0.000 1.164 547 A CA 1.728 53.828 52.037 0.104 0.000 0.644 547 A CB -0.210 18.928 19.000 0.230 0.000 0.805 547 A HN 0.478 nan 8.150 nan 0.000 0.449 548 E N -1.223 118.960 120.200 -0.029 0.000 2.481 548 E HA 0.133 4.482 4.350 -0.001 0.000 0.198 548 E C 1.239 177.806 176.600 -0.055 0.000 1.027 548 E CA -0.298 56.083 56.400 -0.032 0.000 0.900 548 E CB 0.173 29.848 29.700 -0.040 0.000 0.993 548 E HN 0.443 nan 8.360 nan 0.000 0.482 549 L N 0.172 121.344 121.223 -0.085 0.000 2.156 549 L HA 0.079 4.418 4.340 -0.001 0.000 0.208 549 L C 1.496 178.350 176.870 -0.027 0.000 1.095 549 L CA 1.821 56.607 54.840 -0.089 0.000 0.770 549 L CB -0.191 41.776 42.059 -0.152 0.000 0.914 549 L HN 0.267 nan 8.230 nan 0.000 0.439 550 G N -0.236 108.564 108.800 -0.000 0.000 2.148 550 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.254 550 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.254 550 G C 0.382 175.300 174.900 0.030 0.000 0.981 550 G CA 0.591 45.702 45.100 0.017 0.000 0.670 550 G HN 0.662 nan 8.290 nan 0.000 0.528 551 R N -1.504 119.021 120.500 0.041 0.000 2.752 551 R HA 0.692 5.032 4.340 -0.001 0.000 0.271 551 R C -3.172 173.185 176.300 0.094 0.000 1.026 551 R CA -1.845 54.291 56.100 0.061 0.000 0.901 551 R CB 0.959 31.294 30.300 0.058 0.000 1.243 551 R HN 0.036 nan 8.270 nan 0.000 0.463 552 P HA 0.082 nan 4.420 nan 0.000 0.268 552 P C -1.204 176.222 177.300 0.210 0.000 1.208 552 P CA 0.164 63.340 63.100 0.127 0.000 0.777 552 P CB 0.370 32.125 31.700 0.092 0.000 0.875 553 F N 1.859 121.799 119.950 -0.016 0.000 2.608 553 F HA 0.570 5.096 4.527 -0.001 0.000 0.309 553 F C -1.569 174.191 175.800 -0.067 0.000 1.103 553 F CA -1.081 56.894 58.000 -0.041 0.000 0.954 553 F CB 1.641 40.604 39.000 -0.060 0.000 1.267 553 F HN 0.160 nan 8.300 nan 0.000 0.444 554 L N 6.447 127.287 121.223 -0.639 0.000 2.386 554 L HA 0.742 5.081 4.340 -0.001 0.000 0.271 554 L C -1.604 174.866 176.870 -0.667 0.000 0.993 554 L CA -0.508 54.032 54.840 -0.499 0.000 0.819 554 L CB 1.653 43.523 42.059 -0.315 0.000 1.294 554 L HN 0.584 nan 8.230 nan 0.000 0.414 555 I N 3.936 124.246 120.570 -0.433 0.000 2.418 555 I HA 0.374 4.544 4.170 -0.001 0.000 0.287 555 I C -0.486 175.457 176.117 -0.290 0.000 1.008 555 I CA -0.429 60.676 61.300 -0.324 0.000 1.104 555 I CB 1.900 39.786 38.000 -0.190 0.000 1.264 555 I HN 0.584 nan 8.210 nan 0.000 0.438 556 E N 6.015 126.077 120.200 -0.230 0.000 2.174 556 E HA 0.530 4.879 4.350 -0.001 0.000 0.282 556 E C -1.513 174.991 176.600 -0.160 0.000 0.992 556 E CA -0.567 55.713 56.400 -0.200 0.000 0.803 556 E CB 1.584 31.227 29.700 -0.095 0.000 1.090 556 E HN 0.380 nan 8.360 nan 0.000 0.396 557 V N 7.150 126.955 119.914 -0.182 0.000 2.444 557 V HA 0.356 4.475 4.120 -0.001 0.000 0.294 557 V C -2.255 173.751 176.094 -0.147 0.000 1.022 557 V CA -1.912 60.297 62.300 -0.152 0.000 0.850 557 V CB 1.533 33.258 31.823 -0.164 0.000 0.992 557 V HN 0.706 nan 8.190 nan 0.000 0.426 558 P HA 0.283 nan 4.420 nan 0.000 0.276 558 P C -0.647 176.560 177.300 -0.156 0.000 1.235 558 P CA 0.186 63.221 63.100 -0.109 0.000 0.772 558 P CB 1.492 33.147 31.700 -0.075 0.000 0.871 559 V N 0.963 120.755 119.914 -0.202 0.000 3.141 559 V HA 0.722 4.841 4.120 -0.001 0.000 0.312 559 V C -0.823 175.061 176.094 -0.351 0.000 1.157 559 V CA -0.886 61.229 62.300 -0.309 0.000 1.041 559 V CB 2.607 34.180 31.823 -0.417 0.000 1.071 559 V HN 0.461 nan 8.190 nan 0.000 0.441 560 N N -0.483 117.950 118.700 -0.446 0.000 2.647 560 N HA 0.542 5.281 4.740 -0.001 0.000 0.266 560 N C -0.912 174.283 175.510 -0.526 0.000 1.373 560 N CA -0.287 52.504 53.050 -0.432 0.000 0.807 560 N CB 2.348 40.701 38.487 -0.223 0.000 1.513 560 N HN 0.814 nan 8.380 nan 0.000 0.505 561 Y N 0.058 120.326 120.300 -0.052 0.000 2.609 561 Y HA 0.156 4.706 4.550 -0.001 0.000 0.281 561 Y C -0.150 175.760 175.900 0.016 0.000 1.132 561 Y CA 0.018 58.167 58.100 0.082 0.000 1.264 561 Y CB 0.266 38.934 38.460 0.347 0.000 1.325 561 Y HN 0.386 nan 8.280 nan 0.000 0.514 562 D N 1.502 121.850 120.400 -0.087 0.000 2.803 562 D HA -0.191 4.448 4.640 -0.001 0.000 0.233 562 D C -0.952 175.403 176.300 0.092 0.000 1.182 562 D CA 0.648 54.595 54.000 -0.088 0.000 0.726 562 D CB -1.526 39.287 40.800 0.020 0.000 0.987 562 D HN 0.173 nan 8.370 nan 0.000 0.412 563 F N -1.085 119.046 119.950 0.303 0.000 2.382 563 F HA 0.487 5.013 4.527 -0.001 0.000 0.331 563 F C 0.972 176.928 175.800 0.259 0.000 1.121 563 F CA -0.973 57.224 58.000 0.329 0.000 1.183 563 F CB 0.552 39.649 39.000 0.162 0.000 1.207 563 F HN -0.113 nan 8.300 nan 0.000 0.555 564 Q N 2.568 122.724 119.800 0.593 0.000 2.425 564 Q HA 0.272 4.612 4.340 -0.001 0.000 0.254 564 Q C -2.014 174.255 176.000 0.449 0.000 1.032 564 Q CA -1.767 54.282 55.803 0.409 0.000 0.798 564 Q CB 1.687 30.595 28.738 0.282 0.000 1.210 564 Q HN 0.422 nan 8.270 nan 0.000 0.491 565 P HA -0.173 nan 4.420 nan 0.000 0.218 565 P C 1.192 178.658 177.300 0.277 0.000 1.148 565 P CA 1.102 64.348 63.100 0.243 0.000 0.822 565 P CB 0.265 32.059 31.700 0.158 0.000 0.784 566 G N -0.651 108.278 108.800 0.214 0.000 2.559 566 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.216 566 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.216 566 G C 1.417 176.359 174.900 0.070 0.000 1.126 566 G CA 0.633 45.813 45.100 0.133 0.000 0.778 566 G HN 0.415 nan 8.290 nan 0.000 0.543 567 G N -0.385 108.432 108.800 0.030 0.000 3.284 567 G HA2 0.293 4.253 3.960 -0.001 0.000 0.236 567 G HA3 0.293 4.253 3.960 -0.001 0.000 0.236 567 G C 0.284 174.948 174.900 -0.394 0.000 1.158 567 G CA -0.384 44.602 45.100 -0.191 0.000 0.774 567 G HN 0.296 nan 8.290 nan 0.000 0.545 568 F N 0.781 120.692 119.950 -0.065 0.000 2.850 568 F HA 0.299 4.825 4.527 -0.001 0.000 0.306 568 F C 2.071 177.778 175.800 -0.155 0.000 1.162 568 F CA -0.482 57.433 58.000 -0.143 0.000 1.327 568 F CB 0.864 39.724 39.000 -0.232 0.000 0.953 568 F HN 0.087 nan 8.300 nan 0.000 0.507 569 G N 0.328 109.125 108.800 -0.006 0.000 2.462 569 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.220 569 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.220 569 G C 1.899 176.770 174.900 -0.048 0.000 1.121 569 G CA 0.917 46.002 45.100 -0.025 0.000 0.758 569 G HN 0.440 nan 8.290 nan 0.000 0.559 570 A N 0.498 123.278 122.820 -0.066 0.000 2.070 570 A HA 0.108 4.427 4.320 -0.001 0.000 0.220 570 A C 2.327 179.853 177.584 -0.097 0.000 1.159 570 A CA 0.998 52.989 52.037 -0.077 0.000 0.656 570 A CB -0.266 18.691 19.000 -0.071 0.000 0.800 570 A HN 0.396 nan 8.150 nan 0.000 0.453 571 L N -0.817 120.333 121.223 -0.122 0.000 2.201 571 L HA -0.104 4.236 4.340 -0.001 0.000 0.212 571 L C 2.602 179.428 176.870 -0.074 0.000 1.105 571 L CA 1.220 55.969 54.840 -0.152 0.000 0.775 571 L CB -0.346 41.576 42.059 -0.228 0.000 0.913 571 L HN 0.310 nan 8.230 nan 0.000 0.440 572 S N 0.094 115.761 115.700 -0.056 0.000 2.388 572 S HA 0.091 4.561 4.470 -0.001 0.000 0.223 572 S C 1.046 175.618 174.600 -0.048 0.000 1.034 572 S CA 0.330 58.505 58.200 -0.042 0.000 0.963 572 S CB -0.077 63.101 63.200 -0.037 0.000 0.827 572 S HN 0.334 nan 8.310 nan 0.000 0.481 573 I N 0.000 120.535 120.570 -0.058 0.000 2.984 573 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 573 I CA 0.000 61.261 61.300 -0.064 0.000 1.566 573 I CB 0.000 37.956 38.000 -0.073 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494