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 2pp0_1_A DATA FIRST_RESID 4 DATA SEQUENCE SANSDAVTYA KAANTRTAAE TGDRIEWVKL SLAFLPLATP VSDAKVLTGR DATA SEQUENCE QKPLTEVAII IAEIRSRDGF EGVGFSYSKR AGGQGIYAHA KEIADNLLGE DATA SEQUENCE DPNDIDKIYT KLLWAGASVG RSGMAVQAIS PIDIALWDMK AKRAGLPLAK DATA SEQUENCE LLGAHRDSVQ CYNTSGGFLH TPLDQVLKNV VISRENGIGG IKLKVGQPNC DATA SEQUENCE AEDIRRLTAV REALGDEFPL MVDANQQWDR ETAIRMGRKM EQFNLIWIEE DATA SEQUENCE PLDAYDIEGH AQLAAALDTP IATGEMLTSF REHEQLILGN ASDFVQPDAP DATA SEQUENCE RVGGISPFLK IMDLAAKHGR KLAPHFAMEV HLHLSAAYPL EPWLEHFEWL DATA SEQUENCE NPLFNEQLEL RDGRMWISDR HGLGFTLSEQ ARRWTQLTCE FGKRP 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.586 174.600 -0.023 0.000 1.055 4 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 4 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 5 A N 1.847 124.653 122.820 -0.023 0.000 1.933 5 A HA 0.192 4.511 4.320 -0.001 0.000 0.218 5 A C 0.974 178.534 177.584 -0.040 0.000 1.175 5 A CA 1.913 53.932 52.037 -0.030 0.000 0.628 5 A CB -0.903 18.082 19.000 -0.025 0.000 0.814 5 A HN 1.447 nan 8.150 nan 0.000 0.444 6 N N -2.361 116.318 118.700 -0.035 0.000 3.277 6 N HA 0.469 5.208 4.740 -0.001 0.000 0.278 6 N C -0.796 174.696 175.510 -0.031 0.000 1.544 6 N CA 0.299 53.324 53.050 -0.041 0.000 0.869 6 N CB 0.734 39.196 38.487 -0.041 0.000 1.584 6 N HN 0.448 nan 8.380 nan 0.000 0.564 7 S N -1.775 113.907 115.700 -0.030 0.000 2.843 7 S HA 0.418 4.887 4.470 -0.001 0.000 0.301 7 S C -0.609 173.981 174.600 -0.016 0.000 1.206 7 S CA -0.511 57.678 58.200 -0.020 0.000 0.875 7 S CB 0.951 64.141 63.200 -0.016 0.000 1.248 7 S HN 0.394 nan 8.310 nan 0.000 0.555 8 D N 0.756 121.150 120.400 -0.009 0.000 2.317 8 D HA 0.380 5.019 4.640 -0.001 0.000 0.211 8 D C 1.170 177.468 176.300 -0.004 0.000 0.966 8 D CA 1.268 55.265 54.000 -0.006 0.000 0.876 8 D CB -0.105 40.693 40.800 -0.003 0.000 0.927 8 D HN 0.619 nan 8.370 nan 0.000 0.519 9 A N -0.263 122.555 122.820 -0.003 0.000 3.596 9 A HA 0.639 4.958 4.320 -0.001 0.000 0.189 9 A C -0.306 177.274 177.584 -0.006 0.000 1.478 9 A CA -0.252 51.787 52.037 0.004 0.000 1.680 9 A CB 0.834 19.842 19.000 0.014 0.000 1.562 9 A HN -0.012 nan 8.150 nan 0.000 0.575 10 V N -0.241 119.673 119.914 0.001 0.000 2.969 10 V HA 0.648 4.767 4.120 -0.001 0.000 0.304 10 V C -1.005 175.070 176.094 -0.031 0.000 1.192 10 V CA 0.375 62.651 62.300 -0.040 0.000 0.962 10 V CB 2.074 33.893 31.823 -0.007 0.000 1.045 10 V HN 1.463 nan 8.190 nan 0.000 0.428 11 T N 2.667 117.132 114.554 -0.148 0.000 2.906 11 T HA 0.779 5.129 4.350 -0.001 0.000 0.295 11 T C -1.420 173.103 174.700 -0.294 0.000 1.075 11 T CA -0.599 61.455 62.100 -0.077 0.000 1.005 11 T CB 1.822 70.666 68.868 -0.039 0.000 1.136 11 T HN 0.562 nan 8.240 nan 0.000 0.498 12 Y N 0.099 120.398 120.300 -0.001 0.000 2.391 12 Y HA 0.650 5.199 4.550 -0.001 0.000 0.341 12 Y C 0.439 176.338 175.900 -0.002 0.000 0.965 12 Y CA -1.076 57.023 58.100 -0.002 0.000 1.067 12 Y CB 2.053 40.512 38.460 -0.002 0.000 1.199 12 Y HN 1.114 nan 8.280 nan 0.000 0.450 13 A N 4.016 126.898 122.820 0.104 0.000 2.340 13 A HA 0.610 4.930 4.320 -0.001 0.000 0.268 13 A C -0.510 177.124 177.584 0.083 0.000 1.100 13 A CA -0.701 51.375 52.037 0.066 0.000 0.803 13 A CB 0.392 19.410 19.000 0.030 0.000 1.043 13 A HN 0.536 nan 8.150 nan 0.000 0.488 14 K N 0.926 121.359 120.400 0.055 0.000 2.207 14 K HA 0.585 4.905 4.320 -0.001 0.000 0.255 14 K C -0.338 176.280 176.600 0.029 0.000 0.941 14 K CA -0.430 55.883 56.287 0.043 0.000 0.825 14 K CB 1.926 34.446 32.500 0.034 0.000 1.119 14 K HN 0.727 nan 8.250 nan 0.000 0.430 15 A N 1.808 124.643 122.820 0.024 0.000 2.350 15 A HA 0.408 4.727 4.320 -0.001 0.000 0.293 15 A C 1.151 178.743 177.584 0.012 0.000 1.231 15 A CA 0.113 52.161 52.037 0.017 0.000 0.883 15 A CB 0.141 19.150 19.000 0.015 0.000 1.133 15 A HN 0.785 nan 8.150 nan 0.000 0.533 16 A N 2.873 125.700 122.820 0.011 0.000 2.070 16 A HA -0.043 4.276 4.320 -0.001 0.000 0.220 16 A C 1.023 178.611 177.584 0.007 0.000 1.159 16 A CA 1.579 53.621 52.037 0.008 0.000 0.656 16 A CB -0.311 18.694 19.000 0.007 0.000 0.800 16 A HN 0.842 nan 8.150 nan 0.000 0.453 17 N N -0.600 118.104 118.700 0.007 0.000 2.540 17 N HA 0.186 4.925 4.740 -0.001 0.000 0.275 17 N C -0.002 175.512 175.510 0.006 0.000 1.053 17 N CA 0.342 53.395 53.050 0.006 0.000 0.876 17 N CB 1.197 39.687 38.487 0.005 0.000 1.284 17 N HN 0.024 nan 8.380 nan 0.000 0.518 18 T N 0.044 114.601 114.554 0.005 0.000 3.244 18 T HA 0.223 4.572 4.350 -0.001 0.000 0.254 18 T C 0.689 175.391 174.700 0.003 0.000 1.024 18 T CA -0.364 61.738 62.100 0.004 0.000 0.920 18 T CB -0.292 68.578 68.868 0.003 0.000 1.042 18 T HN 0.389 nan 8.240 nan 0.000 0.572 19 R N 2.901 123.403 120.500 0.003 0.000 2.421 19 R HA 0.268 4.607 4.340 -0.001 0.000 0.305 19 R C 0.233 176.534 176.300 0.002 0.000 1.039 19 R CA 0.108 56.209 56.100 0.003 0.000 1.003 19 R CB 0.261 30.563 30.300 0.004 0.000 0.959 19 R HN 0.504 nan 8.270 nan 0.000 0.427 20 T N 0.965 115.519 114.554 0.001 0.000 2.943 20 T HA 0.408 4.757 4.350 -0.001 0.000 0.284 20 T C 1.278 175.976 174.700 -0.003 0.000 1.015 20 T CA -0.405 61.694 62.100 -0.001 0.000 1.042 20 T CB 1.891 70.758 68.868 -0.002 0.000 1.055 20 T HN 0.578 nan 8.240 nan 0.000 0.500 21 A N 1.445 124.262 122.820 -0.006 0.000 1.972 21 A HA 0.179 4.498 4.320 -0.001 0.000 0.219 21 A C 2.572 180.151 177.584 -0.009 0.000 1.169 21 A CA 1.787 53.818 52.037 -0.009 0.000 0.635 21 A CB -1.476 17.515 19.000 -0.014 0.000 0.810 21 A HN 1.253 nan 8.150 nan 0.000 0.446 22 A N 0.874 123.689 122.820 -0.007 0.000 1.877 22 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 22 A C 1.973 179.556 177.584 -0.003 0.000 1.186 22 A CA 1.712 53.745 52.037 -0.006 0.000 0.620 22 A CB -0.607 18.390 19.000 -0.006 0.000 0.822 22 A HN 0.785 nan 8.150 nan 0.000 0.443 23 E N -0.515 119.684 120.200 -0.001 0.000 2.285 23 E HA -0.095 4.254 4.350 -0.001 0.000 0.194 23 E C 1.482 178.085 176.600 0.005 0.000 0.997 23 E CA 1.386 57.787 56.400 0.002 0.000 0.845 23 E CB -0.498 29.203 29.700 0.002 0.000 0.782 23 E HN 0.642 nan 8.360 nan 0.000 0.491 24 T N -2.076 112.481 114.554 0.004 0.000 3.022 24 T HA 0.240 4.590 4.350 -0.001 0.000 0.250 24 T C 1.121 175.827 174.700 0.010 0.000 1.060 24 T CA 0.007 62.112 62.100 0.009 0.000 1.013 24 T CB 0.325 69.197 68.868 0.008 0.000 0.982 24 T HN 0.172 nan 8.240 nan 0.000 0.508 25 G N 1.337 110.139 108.800 0.003 0.000 2.554 25 G HA2 0.304 4.263 3.960 -0.001 0.000 0.238 25 G HA3 0.304 4.263 3.960 -0.001 0.000 0.238 25 G C -0.263 174.645 174.900 0.014 0.000 1.259 25 G CA -0.365 44.734 45.100 -0.001 0.000 0.843 25 G HN 0.276 nan 8.290 nan 0.000 0.582 26 D N -0.391 120.019 120.400 0.017 0.000 2.352 26 D HA 0.206 4.845 4.640 -0.001 0.000 0.238 26 D C 0.380 176.702 176.300 0.036 0.000 1.286 26 D CA 0.317 54.345 54.000 0.047 0.000 0.923 26 D CB 0.499 41.337 40.800 0.063 0.000 1.146 26 D HN 0.150 nan 8.370 nan 0.000 0.471 27 R N 1.128 121.661 120.500 0.056 0.000 2.604 27 R HA 0.376 4.715 4.340 -0.001 0.000 0.281 27 R C -0.643 175.698 176.300 0.068 0.000 1.020 27 R CA -0.748 55.380 56.100 0.047 0.000 0.899 27 R CB 0.998 31.324 30.300 0.043 0.000 1.205 27 R HN 0.441 nan 8.270 nan 0.000 0.450 28 I N 2.567 123.172 120.570 0.057 0.000 2.533 28 I HA 0.023 4.192 4.170 -0.001 0.000 0.284 28 I C 1.221 177.397 176.117 0.099 0.000 1.109 28 I CA 0.669 62.016 61.300 0.079 0.000 1.412 28 I CB 0.662 38.688 38.000 0.044 0.000 1.396 28 I HN 0.556 nan 8.210 nan 0.000 0.543 29 E N 4.376 124.667 120.200 0.151 0.000 2.514 29 E HA 0.072 4.421 4.350 -0.001 0.000 0.215 29 E C -0.767 176.007 176.600 0.291 0.000 0.946 29 E CA -0.132 56.373 56.400 0.175 0.000 1.038 29 E CB 1.003 30.791 29.700 0.147 0.000 1.069 29 E HN 0.616 nan 8.360 nan 0.000 0.503 30 W N 0.696 122.039 121.300 0.072 0.000 3.372 30 W HA 0.429 5.088 4.660 -0.001 0.000 0.315 30 W C -2.010 174.577 176.519 0.114 0.000 1.223 30 W CA -0.516 56.886 57.345 0.095 0.000 1.202 30 W CB 1.243 30.748 29.460 0.074 0.000 1.367 30 W HN -0.362 nan 8.180 nan 0.000 0.531 31 V N 5.048 124.607 119.914 -0.591 0.000 2.808 31 V HA 0.481 4.600 4.120 -0.001 0.000 0.308 31 V C -0.927 174.659 176.094 -0.846 0.000 1.099 31 V CA -1.261 60.686 62.300 -0.588 0.000 0.920 31 V CB 1.843 33.561 31.823 -0.175 0.000 1.014 31 V HN 0.453 nan 8.190 nan 0.000 0.425 32 K N 4.371 124.281 120.400 -0.817 0.000 2.397 32 K HA 0.794 5.113 4.320 -0.001 0.000 0.253 32 K C -1.841 174.692 176.600 -0.113 0.000 0.932 32 K CA -0.632 55.369 56.287 -0.477 0.000 0.795 32 K CB 1.795 33.994 32.500 -0.502 0.000 1.159 32 K HN 0.655 nan 8.250 nan 0.000 0.424 33 L N 2.259 123.513 121.223 0.052 0.000 2.346 33 L HA 0.533 4.872 4.340 -0.001 0.000 0.274 33 L C -0.673 176.366 176.870 0.281 0.000 1.007 33 L CA -0.833 54.110 54.840 0.172 0.000 0.818 33 L CB 2.266 44.438 42.059 0.188 0.000 1.284 33 L HN 0.645 nan 8.230 nan 0.000 0.424 34 S N 2.660 118.515 115.700 0.260 0.000 2.541 34 S HA 0.623 5.092 4.470 -0.001 0.000 0.280 34 S C -1.255 173.352 174.600 0.012 0.000 1.112 34 S CA -0.523 57.756 58.200 0.131 0.000 0.925 34 S CB 2.433 65.678 63.200 0.075 0.000 1.067 34 S HN 0.396 nan 8.310 nan 0.000 0.479 35 L N 2.946 123.990 121.223 -0.297 0.000 2.316 35 L HA 0.874 5.213 4.340 -0.001 0.000 0.280 35 L C -0.366 176.349 176.870 -0.258 0.000 1.006 35 L CA -0.224 54.395 54.840 -0.368 0.000 0.836 35 L CB 0.397 42.046 42.059 -0.683 0.000 1.221 35 L HN 0.830 nan 8.230 nan 0.000 0.418 36 A N 4.166 126.824 122.820 -0.270 0.000 2.384 36 A HA 0.855 5.174 4.320 -0.001 0.000 0.312 36 A C -1.495 175.822 177.584 -0.445 0.000 1.113 36 A CA -0.431 51.509 52.037 -0.162 0.000 0.779 36 A CB 0.911 19.899 19.000 -0.021 0.000 1.307 36 A HN 0.543 nan 8.150 nan 0.000 0.436 37 F N 0.387 120.283 119.950 -0.089 0.000 2.477 37 F HA 0.472 4.998 4.527 -0.002 0.000 0.335 37 F C -0.265 175.242 175.800 -0.489 0.000 1.130 37 F CA -0.462 57.411 58.000 -0.212 0.000 0.948 37 F CB 2.126 41.012 39.000 -0.190 0.000 1.154 37 F HN 0.428 nan 8.300 nan 0.000 0.439 38 L N 7.784 128.761 121.223 -0.410 0.000 2.261 38 L HA 0.565 4.904 4.340 -0.001 0.000 0.289 38 L C -2.429 174.034 176.870 -0.679 0.000 1.059 38 L CA -1.970 52.394 54.840 -0.793 0.000 0.816 38 L CB 0.398 42.177 42.059 -0.467 0.000 1.191 38 L HN 0.205 nan 8.230 nan 0.000 0.431 39 P HA 0.161 nan 4.420 nan 0.000 0.279 39 P C -1.152 175.879 177.300 -0.449 0.000 1.239 39 P CA -0.226 62.568 63.100 -0.511 0.000 0.789 39 P CB 1.152 32.602 31.700 -0.417 0.000 0.933 40 L N 2.879 123.859 121.223 -0.405 0.000 2.277 40 L HA 0.328 4.667 4.340 -0.001 0.000 0.284 40 L C 1.723 178.414 176.870 -0.300 0.000 1.028 40 L CA -0.684 53.890 54.840 -0.442 0.000 0.835 40 L CB 1.307 42.996 42.059 -0.616 0.000 1.215 40 L HN 0.390 nan 8.230 nan 0.000 0.425 41 A N 2.285 124.976 122.820 -0.215 0.000 1.948 41 A HA -0.090 4.229 4.320 -0.001 0.000 0.220 41 A C 1.084 178.583 177.584 -0.143 0.000 1.177 41 A CA 1.429 53.384 52.037 -0.137 0.000 0.636 41 A CB -0.302 18.655 19.000 -0.073 0.000 0.815 41 A HN 0.601 nan 8.150 nan 0.000 0.449 42 T N 1.782 116.232 114.554 -0.173 0.000 2.770 42 T HA 0.477 4.826 4.350 -0.001 0.000 0.297 42 T C -2.762 171.748 174.700 -0.316 0.000 0.997 42 T CA -1.033 60.958 62.100 -0.181 0.000 0.949 42 T CB 1.352 70.168 68.868 -0.087 0.000 0.941 42 T HN 0.028 nan 8.240 nan 0.000 0.457 43 P HA 0.102 nan 4.420 nan 0.000 0.262 43 P C -0.761 176.187 177.300 -0.586 0.000 1.182 43 P CA -0.152 62.731 63.100 -0.361 0.000 0.761 43 P CB 0.421 31.970 31.700 -0.252 0.000 0.795 44 V N 3.892 123.503 119.914 -0.505 0.000 2.427 44 V HA 0.366 4.485 4.120 -0.001 0.000 0.286 44 V C 0.197 176.164 176.094 -0.212 0.000 1.034 44 V CA -0.029 61.955 62.300 -0.526 0.000 0.893 44 V CB 1.618 33.146 31.823 -0.491 0.000 0.982 44 V HN 0.452 nan 8.190 nan 0.000 0.452 45 S N 3.305 119.070 115.700 0.109 0.000 2.605 45 S HA 0.567 5.036 4.470 -0.001 0.000 0.308 45 S C -0.684 174.179 174.600 0.440 0.000 1.113 45 S CA -0.920 57.416 58.200 0.226 0.000 1.049 45 S CB 1.477 64.791 63.200 0.191 0.000 1.001 45 S HN 0.979 nan 8.310 nan 0.000 0.480 46 D N 1.749 122.380 120.400 0.385 0.000 2.595 46 D HA 0.639 5.278 4.640 -0.001 0.000 0.268 46 D C 1.250 177.649 176.300 0.165 0.000 1.181 46 D CA -0.722 53.498 54.000 0.366 0.000 1.085 46 D CB -0.102 40.930 40.800 0.386 0.000 1.186 46 D HN 0.356 nan 8.370 nan 0.000 0.621 47 A N -0.599 122.262 122.820 0.069 0.000 2.019 47 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 47 A C 1.835 179.434 177.584 0.025 0.000 1.164 47 A CA 1.404 53.449 52.037 0.012 0.000 0.644 47 A CB -0.821 18.126 19.000 -0.088 0.000 0.805 47 A HN 0.527 nan 8.150 nan 0.000 0.449 48 K N -0.497 119.928 120.400 0.043 0.000 2.147 48 K HA -0.074 4.245 4.320 -0.001 0.000 0.205 48 K C 1.744 178.373 176.600 0.048 0.000 1.049 48 K CA 1.402 57.714 56.287 0.041 0.000 0.936 48 K CB -0.248 32.284 32.500 0.054 0.000 0.722 48 K HN 0.370 nan 8.250 nan 0.000 0.446 49 V N 0.926 120.880 119.914 0.066 0.000 2.379 49 V HA -0.155 3.965 4.120 -0.001 0.000 0.243 49 V C 1.933 178.059 176.094 0.052 0.000 1.035 49 V CA 1.147 63.481 62.300 0.058 0.000 1.035 49 V CB -0.239 31.626 31.823 0.071 0.000 0.673 49 V HN 0.145 nan 8.190 nan 0.000 0.457 50 L N 0.998 122.258 121.223 0.061 0.000 2.275 50 L HA -0.103 4.236 4.340 -0.001 0.000 0.215 50 L C 2.455 179.352 176.870 0.045 0.000 1.119 50 L CA 2.246 57.118 54.840 0.054 0.000 0.790 50 L CB -1.026 41.069 42.059 0.059 0.000 0.919 50 L HN 0.610 nan 8.230 nan 0.000 0.443 51 T N -4.906 109.672 114.554 0.040 0.000 3.107 51 T HA 0.347 4.696 4.350 -0.001 0.000 0.249 51 T C 1.504 176.223 174.700 0.033 0.000 1.096 51 T CA 0.401 62.523 62.100 0.038 0.000 1.012 51 T CB 0.251 69.139 68.868 0.035 0.000 0.977 51 T HN 0.367 nan 8.240 nan 0.000 0.527 52 G N 1.839 110.658 108.800 0.031 0.000 2.176 52 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.253 52 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.253 52 G C 1.197 176.111 174.900 0.023 0.000 0.979 52 G CA 0.173 45.288 45.100 0.025 0.000 0.641 52 G HN 0.425 nan 8.290 nan 0.000 0.530 53 R N 0.079 120.594 120.500 0.026 0.000 2.092 53 R HA 0.067 4.406 4.340 -0.001 0.000 0.231 53 R C 1.341 177.655 176.300 0.023 0.000 1.119 53 R CA 1.515 57.630 56.100 0.024 0.000 0.970 53 R CB -0.168 30.148 30.300 0.027 0.000 0.864 53 R HN 0.692 nan 8.270 nan 0.000 0.440 54 Q N -0.525 119.291 119.800 0.026 0.000 2.605 54 Q HA 0.385 4.724 4.340 -0.001 0.000 0.296 54 Q C -0.771 175.238 176.000 0.016 0.000 1.056 54 Q CA -0.931 54.885 55.803 0.022 0.000 0.778 54 Q CB 2.271 31.027 28.738 0.030 0.000 1.497 54 Q HN -0.201 nan 8.270 nan 0.000 0.443 55 K N 0.767 121.170 120.400 0.005 0.000 2.095 55 K HA 0.507 4.826 4.320 -0.001 0.000 0.252 55 K C -2.513 174.076 176.600 -0.018 0.000 0.977 55 K CA -1.974 54.308 56.287 -0.008 0.000 0.900 55 K CB 0.487 32.975 32.500 -0.019 0.000 1.060 55 K HN 0.311 nan 8.250 nan 0.000 0.449 56 P HA -0.053 nan 4.420 nan 0.000 0.266 56 P C -0.510 176.730 177.300 -0.099 0.000 1.193 56 P CA -0.238 62.819 63.100 -0.071 0.000 0.770 56 P CB 0.315 31.955 31.700 -0.101 0.000 0.836 57 L N 3.542 124.686 121.223 -0.132 0.000 2.319 57 L HA 0.275 4.615 4.340 -0.001 0.000 0.280 57 L C 1.056 177.780 176.870 -0.242 0.000 1.099 57 L CA 0.870 55.616 54.840 -0.157 0.000 0.828 57 L CB 0.378 42.347 42.059 -0.151 0.000 1.150 57 L HN 0.499 nan 8.230 nan 0.000 0.442 58 T N 0.274 114.701 114.554 -0.213 0.000 3.003 58 T HA 0.332 4.681 4.350 -0.001 0.000 0.261 58 T C 0.087 174.628 174.700 -0.266 0.000 1.003 58 T CA 0.298 62.252 62.100 -0.243 0.000 0.917 58 T CB -0.169 68.588 68.868 -0.184 0.000 1.084 58 T HN 0.704 nan 8.240 nan 0.000 0.522 59 E N -0.246 119.815 120.200 -0.233 0.000 2.429 59 E HA 0.603 4.952 4.350 -0.001 0.000 0.280 59 E C -2.102 174.423 176.600 -0.124 0.000 1.068 59 E CA -1.271 55.005 56.400 -0.207 0.000 0.837 59 E CB 1.644 31.280 29.700 -0.106 0.000 1.357 59 E HN -0.022 nan 8.360 nan 0.000 0.455 60 V N 0.592 120.443 119.914 -0.106 0.000 2.525 60 V HA 0.671 4.790 4.120 -0.001 0.000 0.299 60 V C -0.205 175.857 176.094 -0.053 0.000 1.034 60 V CA -0.483 61.806 62.300 -0.018 0.000 0.863 60 V CB 1.372 33.191 31.823 -0.008 0.000 0.999 60 V HN 0.880 nan 8.190 nan 0.000 0.423 61 A N 6.409 129.197 122.820 -0.055 0.000 2.401 61 A HA 0.757 5.076 4.320 -0.001 0.000 0.259 61 A C -0.439 177.039 177.584 -0.177 0.000 1.103 61 A CA -0.129 51.646 52.037 -0.437 0.000 0.789 61 A CB 0.102 18.901 19.000 -0.336 0.000 1.035 61 A HN 0.621 nan 8.150 nan 0.000 0.491 62 I N 3.403 123.805 120.570 -0.279 0.000 2.447 62 I HA 0.313 4.482 4.170 -0.001 0.000 0.287 62 I C -1.013 175.079 176.117 -0.042 0.000 1.023 62 I CA -0.522 60.742 61.300 -0.060 0.000 1.083 62 I CB 1.293 39.218 38.000 -0.125 0.000 1.245 62 I HN 0.389 nan 8.210 nan 0.000 0.434 63 I N 7.338 127.973 120.570 0.110 0.000 2.330 63 I HA 0.419 4.588 4.170 -0.001 0.000 0.289 63 I C 0.159 176.405 176.117 0.215 0.000 1.001 63 I CA -0.059 61.328 61.300 0.146 0.000 1.193 63 I CB 1.021 39.124 38.000 0.171 0.000 1.345 63 I HN 0.290 nan 8.210 nan 0.000 0.461 64 I N 5.230 125.912 120.570 0.186 0.000 2.460 64 I HA 0.778 4.947 4.170 -0.001 0.000 0.298 64 I C 0.065 176.283 176.117 0.168 0.000 0.989 64 I CA -0.706 60.718 61.300 0.207 0.000 1.173 64 I CB 1.804 39.902 38.000 0.163 0.000 1.338 64 I HN 0.623 nan 8.210 nan 0.000 0.456 65 A N 5.240 128.154 122.820 0.157 0.000 2.343 65 A HA 0.724 5.043 4.320 -0.001 0.000 0.316 65 A C -0.836 176.802 177.584 0.091 0.000 1.104 65 A CA -0.523 51.567 52.037 0.088 0.000 0.768 65 A CB 0.959 19.993 19.000 0.057 0.000 1.213 65 A HN 0.759 nan 8.150 nan 0.000 0.456 66 E N 1.586 121.801 120.200 0.025 0.000 2.210 66 E HA 0.611 4.960 4.350 -0.001 0.000 0.266 66 E C -1.351 175.245 176.600 -0.006 0.000 0.883 66 E CA -0.301 56.144 56.400 0.074 0.000 0.761 66 E CB 2.327 32.115 29.700 0.148 0.000 1.156 66 E HN 0.609 nan 8.360 nan 0.000 0.412 67 I N 2.376 123.021 120.570 0.126 0.000 2.545 67 I HA 0.471 4.640 4.170 -0.001 0.000 0.292 67 I C -0.393 175.894 176.117 0.284 0.000 1.040 67 I CA -0.790 60.595 61.300 0.142 0.000 1.068 67 I CB 1.901 39.949 38.000 0.079 0.000 1.251 67 I HN 0.265 nan 8.210 nan 0.000 0.424 68 R N 3.256 123.984 120.500 0.381 0.000 2.621 68 R HA 0.575 4.914 4.340 -0.001 0.000 0.292 68 R C -0.717 175.732 176.300 0.249 0.000 0.969 68 R CA -0.636 55.666 56.100 0.337 0.000 0.887 68 R CB 2.566 33.098 30.300 0.386 0.000 1.180 68 R HN 0.797 nan 8.270 nan 0.000 0.450 69 S N 1.005 116.825 115.700 0.201 0.000 2.681 69 S HA 0.293 4.762 4.470 -0.001 0.000 0.299 69 S C 1.011 175.690 174.600 0.132 0.000 1.113 69 S CA -0.960 57.343 58.200 0.172 0.000 1.013 69 S CB 2.290 65.613 63.200 0.205 0.000 1.076 69 S HN 0.793 nan 8.310 nan 0.000 0.534 70 R N 0.391 120.957 120.500 0.111 0.000 2.096 70 R HA -0.148 4.191 4.340 -0.001 0.000 0.240 70 R C 0.161 176.497 176.300 0.061 0.000 1.139 70 R CA 2.109 58.255 56.100 0.076 0.000 0.952 70 R CB -0.651 29.691 30.300 0.069 0.000 0.854 70 R HN 0.737 nan 8.270 nan 0.000 0.436 71 D N -1.010 119.455 120.400 0.108 0.000 2.338 71 D HA 0.092 4.731 4.640 -0.001 0.000 0.239 71 D C 0.812 177.047 176.300 -0.108 0.000 1.095 71 D CA 1.035 55.083 54.000 0.080 0.000 0.888 71 D CB 0.431 41.366 40.800 0.226 0.000 0.899 71 D HN 0.603 nan 8.370 nan 0.000 0.525 72 G N 0.026 108.762 108.800 -0.107 0.000 2.141 72 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.242 72 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.242 72 G C 0.102 174.786 174.900 -0.361 0.000 0.982 72 G CA -0.426 44.522 45.100 -0.254 0.000 0.662 72 G HN 0.249 nan 8.290 nan 0.000 0.527 73 F N 0.938 120.913 119.950 0.042 0.000 2.408 73 F HA 0.755 5.281 4.527 -0.001 0.000 0.325 73 F C 0.632 176.477 175.800 0.075 0.000 1.082 73 F CA -0.319 57.711 58.000 0.051 0.000 1.032 73 F CB 1.311 40.333 39.000 0.038 0.000 1.259 73 F HN 0.223 nan 8.300 nan 0.000 0.503 74 E N 0.422 120.793 120.200 0.286 0.000 2.412 74 E HA 0.646 4.996 4.350 -0.001 0.000 0.279 74 E C -1.671 175.050 176.600 0.201 0.000 0.984 74 E CA -0.913 55.623 56.400 0.226 0.000 0.788 74 E CB 1.699 31.519 29.700 0.200 0.000 1.277 74 E HN 0.720 nan 8.360 nan 0.000 0.455 75 G N -0.060 108.851 108.800 0.185 0.000 2.660 75 G HA2 0.621 4.580 3.960 -0.001 0.000 0.294 75 G HA3 0.621 4.580 3.960 -0.001 0.000 0.294 75 G C -1.543 173.458 174.900 0.169 0.000 1.369 75 G CA -0.333 44.862 45.100 0.158 0.000 0.912 75 G HN 0.548 nan 8.290 nan 0.000 0.479 76 V N -0.209 119.808 119.914 0.172 0.000 2.888 76 V HA 0.991 5.110 4.120 -0.001 0.000 0.309 76 V C -0.009 176.207 176.094 0.203 0.000 1.114 76 V CA 0.501 62.920 62.300 0.199 0.000 0.940 76 V CB 1.888 33.852 31.823 0.236 0.000 1.021 76 V HN 1.688 nan 8.190 nan 0.000 0.426 77 G N 4.185 113.115 108.800 0.218 0.000 2.649 77 G HA2 0.854 4.813 3.960 -0.001 0.000 0.290 77 G HA3 0.854 4.813 3.960 -0.001 0.000 0.290 77 G C -1.588 173.485 174.900 0.289 0.000 1.426 77 G CA -0.167 45.042 45.100 0.182 0.000 0.794 77 G HN 1.664 nan 8.290 nan 0.000 0.483 78 F N -0.849 119.161 119.950 0.100 0.000 2.741 78 F HA 0.861 5.387 4.527 -0.002 0.000 0.311 78 F C -0.265 175.604 175.800 0.115 0.000 1.149 78 F CA -0.759 57.306 58.000 0.109 0.000 0.930 78 F CB 1.374 40.454 39.000 0.133 0.000 1.312 78 F HN 0.936 nan 8.300 nan 0.000 0.450 79 S N 0.534 116.431 115.700 0.328 0.000 2.851 79 S HA 0.944 5.413 4.470 -0.001 0.000 0.317 79 S C -1.395 173.478 174.600 0.456 0.000 1.144 79 S CA -0.311 58.037 58.200 0.247 0.000 0.862 79 S CB 2.363 65.617 63.200 0.090 0.000 1.259 79 S HN 1.798 nan 8.310 nan 0.000 0.564 80 Y N -2.053 118.385 120.300 0.231 0.000 2.750 80 Y HA 0.828 5.377 4.550 -0.001 0.000 0.335 80 Y C -1.061 174.931 175.900 0.154 0.000 1.252 80 Y CA -0.777 57.446 58.100 0.204 0.000 1.064 80 Y CB 1.044 39.695 38.460 0.318 0.000 1.321 80 Y HN 0.928 nan 8.280 nan 0.000 0.451 81 S N 0.725 116.545 115.700 0.200 0.000 2.566 81 S HA 0.523 4.992 4.470 -0.001 0.000 0.273 81 S C -2.044 172.709 174.600 0.256 0.000 1.157 81 S CA -0.937 57.323 58.200 0.101 0.000 0.938 81 S CB 0.997 64.223 63.200 0.043 0.000 1.087 81 S HN 0.637 nan 8.310 nan 0.000 0.474 82 K N 3.629 124.180 120.400 0.251 0.000 2.334 82 K HA 0.612 4.931 4.320 -0.001 0.000 0.265 82 K C -0.024 176.645 176.600 0.116 0.000 1.039 82 K CA -0.602 55.798 56.287 0.188 0.000 0.920 82 K CB 1.031 33.656 32.500 0.207 0.000 1.160 82 K HN 0.761 nan 8.250 nan 0.000 0.451 83 R N 0.073 120.628 120.500 0.091 0.000 4.183 83 R HA -0.168 4.172 4.340 -0.001 0.000 0.290 83 R C -0.588 175.762 176.300 0.083 0.000 0.241 83 R CA 0.294 56.433 56.100 0.066 0.000 0.985 83 R CB -1.039 29.290 30.300 0.048 0.000 1.166 83 R HN 0.754 nan 8.270 nan 0.000 0.474 84 A N 0.564 123.421 122.820 0.062 0.000 2.567 84 A HA 0.398 4.717 4.320 -0.001 0.000 0.240 84 A C 1.308 178.931 177.584 0.065 0.000 1.053 84 A CA 1.494 53.571 52.037 0.066 0.000 0.755 84 A CB -0.165 18.860 19.000 0.043 0.000 0.978 84 A HN 1.274 nan 8.150 nan 0.000 0.507 85 G N 1.240 110.088 108.800 0.080 0.000 3.465 85 G HA2 0.021 3.980 3.960 -0.001 0.000 0.219 85 G HA3 0.021 3.980 3.960 -0.001 0.000 0.219 85 G C 1.174 176.120 174.900 0.077 0.000 0.984 85 G CA 0.559 45.695 45.100 0.061 0.000 0.864 85 G HN 1.545 nan 8.290 nan 0.000 0.485 86 G N 0.609 109.472 108.800 0.104 0.000 2.418 86 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.217 86 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.217 86 G C 1.609 176.597 174.900 0.146 0.000 1.158 86 G CA 1.752 46.904 45.100 0.086 0.000 0.771 86 G HN 0.404 nan 8.290 nan 0.000 0.545 87 Q N 0.470 120.384 119.800 0.190 0.000 2.084 87 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 87 Q C 2.791 178.908 176.000 0.194 0.000 0.978 87 Q CA 1.522 57.451 55.803 0.209 0.000 0.844 87 Q CB -0.929 27.913 28.738 0.172 0.000 0.898 87 Q HN 0.455 nan 8.270 nan 0.000 0.426 88 G N 0.673 109.554 108.800 0.135 0.000 2.403 88 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.216 88 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.216 88 G C 1.585 176.555 174.900 0.117 0.000 1.154 88 G CA 0.313 45.477 45.100 0.107 0.000 0.784 88 G HN 0.262 nan 8.290 nan 0.000 0.538 89 I N -0.769 119.872 120.570 0.117 0.000 2.202 89 I HA -0.129 4.040 4.170 -0.001 0.000 0.242 89 I C 2.442 178.647 176.117 0.146 0.000 1.091 89 I CA 1.104 62.472 61.300 0.113 0.000 1.368 89 I CB -0.288 37.763 38.000 0.086 0.000 1.058 89 I HN 0.220 nan 8.210 nan 0.000 0.410 90 Y N 1.912 122.249 120.300 0.061 0.000 2.145 90 Y HA -0.252 4.297 4.550 -0.001 0.000 0.286 90 Y C 2.537 178.481 175.900 0.074 0.000 1.145 90 Y CA 1.367 59.503 58.100 0.060 0.000 1.148 90 Y CB -0.470 38.023 38.460 0.055 0.000 0.981 90 Y HN 0.101 nan 8.280 nan 0.000 0.507 91 A N -0.563 122.289 122.820 0.052 0.000 1.908 91 A HA -0.289 4.030 4.320 -0.001 0.000 0.218 91 A C 2.079 179.633 177.584 -0.050 0.000 1.181 91 A CA 2.187 54.209 52.037 -0.024 0.000 0.627 91 A CB -1.328 17.734 19.000 0.104 0.000 0.818 91 A HN 0.726 nan 8.150 nan 0.000 0.445 92 H N -0.279 118.748 119.070 -0.072 0.000 2.326 92 H HA 0.127 4.682 4.556 -0.001 0.000 0.301 92 H C 2.229 177.484 175.328 -0.122 0.000 1.081 92 H CA 1.699 57.702 56.048 -0.075 0.000 1.334 92 H CB -0.332 29.401 29.762 -0.047 0.000 1.385 92 H HN 0.383 nan 8.280 nan 0.000 0.504 93 A N 0.902 123.632 122.820 -0.150 0.000 1.940 93 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 93 A C 2.304 179.704 177.584 -0.306 0.000 1.176 93 A CA 2.000 53.902 52.037 -0.225 0.000 0.631 93 A CB -0.646 18.277 19.000 -0.127 0.000 0.814 93 A HN 0.527 nan 8.150 nan 0.000 0.446 94 K N -0.403 119.801 120.400 -0.325 0.000 2.148 94 K HA -0.145 4.174 4.320 -0.001 0.000 0.204 94 K C 1.904 178.423 176.600 -0.135 0.000 1.050 94 K CA 1.563 57.729 56.287 -0.201 0.000 0.942 94 K CB -0.129 32.166 32.500 -0.342 0.000 0.724 94 K HN 0.603 nan 8.250 nan 0.000 0.446 95 E N 0.509 120.581 120.200 -0.214 0.000 2.358 95 E HA -0.076 4.273 4.350 -0.001 0.000 0.195 95 E C 1.651 178.090 176.600 -0.269 0.000 1.010 95 E CA 0.793 57.083 56.400 -0.184 0.000 0.856 95 E CB 0.120 29.731 29.700 -0.148 0.000 0.795 95 E HN 0.600 nan 8.360 nan 0.000 0.504 96 I N -4.628 115.705 120.570 -0.394 0.000 4.288 96 I HA 0.386 4.556 4.170 -0.001 0.000 0.331 96 I C 2.040 177.907 176.117 -0.417 0.000 1.322 96 I CA 0.201 61.278 61.300 -0.373 0.000 1.149 96 I CB 0.314 38.069 38.000 -0.409 0.000 1.112 96 I HN -0.094 nan 8.210 nan 0.000 0.403 97 A N 2.996 125.465 122.820 -0.584 0.000 1.948 97 A HA -0.296 4.023 4.320 -0.001 0.000 0.220 97 A C 2.086 179.169 177.584 -0.835 0.000 1.177 97 A CA 2.346 53.915 52.037 -0.780 0.000 0.636 97 A CB -0.940 17.393 19.000 -1.112 0.000 0.815 97 A HN 0.745 nan 8.150 nan 0.000 0.449 98 D N 0.030 119.898 120.400 -0.886 0.000 2.311 98 D HA -0.193 4.446 4.640 -0.001 0.000 0.212 98 D C 1.105 177.268 176.300 -0.228 0.000 0.972 98 D CA 1.198 54.932 54.000 -0.443 0.000 0.887 98 D CB -0.850 39.861 40.800 -0.149 0.000 0.915 98 D HN 0.467 nan 8.370 nan 0.000 0.497 99 N N 0.254 118.816 118.700 -0.231 0.000 2.520 99 N HA -0.038 4.701 4.740 -0.001 0.000 0.185 99 N C 1.945 177.386 175.510 -0.116 0.000 1.068 99 N CA 0.266 53.234 53.050 -0.136 0.000 0.911 99 N CB 0.107 38.520 38.487 -0.124 0.000 0.961 99 N HN 0.383 nan 8.380 nan 0.000 0.446 100 L N 0.693 121.822 121.223 -0.156 0.000 2.240 100 L HA 0.055 4.394 4.340 -0.001 0.000 0.211 100 L C 0.732 177.569 176.870 -0.056 0.000 1.106 100 L CA 0.192 54.967 54.840 -0.108 0.000 0.793 100 L CB -0.183 41.794 42.059 -0.137 0.000 0.927 100 L HN 0.029 nan 8.230 nan 0.000 0.446 101 L N 0.723 121.918 121.223 -0.047 0.000 2.559 101 L HA 0.059 4.398 4.340 -0.001 0.000 0.274 101 L C 1.375 178.250 176.870 0.009 0.000 1.205 101 L CA 0.723 55.567 54.840 0.007 0.000 0.907 101 L CB -0.140 41.938 42.059 0.031 0.000 1.153 101 L HN 0.399 nan 8.230 nan 0.000 0.490 102 G N 1.400 110.215 108.800 0.024 0.000 2.176 102 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.253 102 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.253 102 G C 0.238 175.143 174.900 0.009 0.000 0.979 102 G CA -0.330 44.782 45.100 0.019 0.000 0.641 102 G HN 0.571 nan 8.290 nan 0.000 0.530 103 E N 0.959 121.159 120.200 0.001 0.000 2.319 103 E HA 0.338 4.687 4.350 -0.001 0.000 0.268 103 E C -0.457 176.140 176.600 -0.006 0.000 1.050 103 E CA -0.612 55.784 56.400 -0.007 0.000 0.878 103 E CB 1.079 30.768 29.700 -0.018 0.000 1.066 103 E HN 0.254 nan 8.360 nan 0.000 0.406 104 D N 3.439 123.830 120.400 -0.014 0.000 2.338 104 D HA 0.036 4.675 4.640 -0.001 0.000 0.255 104 D C -1.500 174.775 176.300 -0.042 0.000 1.237 104 D CA -1.880 52.107 54.000 -0.022 0.000 0.883 104 D CB 0.941 41.724 40.800 -0.028 0.000 1.087 104 D HN 0.046 nan 8.370 nan 0.000 0.485 105 P HA -0.123 nan 4.420 nan 0.000 0.226 105 P C 0.345 177.570 177.300 -0.126 0.000 1.146 105 P CA 0.817 63.877 63.100 -0.067 0.000 0.773 105 P CB 0.342 32.020 31.700 -0.037 0.000 0.772 106 N N -0.218 118.403 118.700 -0.132 0.000 2.409 106 N HA -0.044 4.695 4.740 -0.001 0.000 0.179 106 N C 0.220 175.620 175.510 -0.183 0.000 1.032 106 N CA 0.520 53.461 53.050 -0.181 0.000 0.898 106 N CB -0.267 38.126 38.487 -0.156 0.000 0.971 106 N HN 0.039 nan 8.380 nan 0.000 0.441 107 D N 0.671 120.997 120.400 -0.125 0.000 2.713 107 D HA 0.140 4.779 4.640 -0.001 0.000 0.229 107 D C 1.039 177.284 176.300 -0.093 0.000 1.136 107 D CA -0.026 53.916 54.000 -0.097 0.000 1.010 107 D CB 0.025 40.793 40.800 -0.053 0.000 1.084 107 D HN 0.265 nan 8.370 nan 0.000 0.495 108 I N -0.113 120.359 120.570 -0.163 0.000 2.163 108 I HA -0.247 3.922 4.170 -0.001 0.000 0.243 108 I C 2.087 178.215 176.117 0.019 0.000 1.085 108 I CA 1.067 62.286 61.300 -0.136 0.000 1.347 108 I CB 0.086 37.869 38.000 -0.361 0.000 1.044 108 I HN 0.163 nan 8.210 nan 0.000 0.408 109 D N 0.849 121.255 120.400 0.011 0.000 2.144 109 D HA -0.205 4.434 4.640 -0.001 0.000 0.200 109 D C 2.154 178.509 176.300 0.092 0.000 0.978 109 D CA 1.166 55.204 54.000 0.063 0.000 0.833 109 D CB 0.098 40.907 40.800 0.015 0.000 0.961 109 D HN 0.264 nan 8.370 nan 0.000 0.470 110 K N 0.592 121.022 120.400 0.050 0.000 2.026 110 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 110 K C 2.364 179.013 176.600 0.081 0.000 1.048 110 K CA 0.806 57.129 56.287 0.060 0.000 0.929 110 K CB -0.062 32.453 32.500 0.024 0.000 0.713 110 K HN 0.105 nan 8.250 nan 0.000 0.439 111 I N 0.046 120.651 120.570 0.058 0.000 2.226 111 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 111 I C 2.161 178.322 176.117 0.072 0.000 1.100 111 I CA 1.228 62.553 61.300 0.041 0.000 1.374 111 I CB -0.317 37.681 38.000 -0.002 0.000 1.057 111 I HN 0.248 nan 8.210 nan 0.000 0.413 112 Y N 1.605 121.908 120.300 0.004 0.000 2.114 112 Y HA -0.351 4.198 4.550 -0.001 0.000 0.282 112 Y C 2.800 178.708 175.900 0.014 0.000 1.165 112 Y CA 2.361 60.468 58.100 0.013 0.000 1.148 112 Y CB -0.291 38.184 38.460 0.024 0.000 0.972 112 Y HN 0.100 nan 8.280 nan 0.000 0.504 113 T N 0.078 114.794 114.554 0.271 0.000 2.788 113 T HA -0.224 4.125 4.350 -0.001 0.000 0.268 113 T C 1.834 176.667 174.700 0.223 0.000 1.044 113 T CA 1.670 63.890 62.100 0.201 0.000 1.139 113 T CB -0.244 68.746 68.868 0.202 0.000 0.867 113 T HN 0.292 nan 8.240 nan 0.000 0.454 114 K N 0.811 121.325 120.400 0.191 0.000 2.057 114 K HA 0.010 4.329 4.320 -0.001 0.000 0.206 114 K C 2.200 178.869 176.600 0.116 0.000 1.050 114 K CA 0.983 57.378 56.287 0.181 0.000 0.935 114 K CB -0.251 32.301 32.500 0.087 0.000 0.715 114 K HN 0.297 nan 8.250 nan 0.000 0.439 115 L N 0.961 122.193 121.223 0.016 0.000 2.083 115 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 115 L C 2.393 179.248 176.870 -0.024 0.000 1.083 115 L CA 0.868 55.672 54.840 -0.061 0.000 0.752 115 L CB -0.352 41.596 42.059 -0.185 0.000 0.899 115 L HN 0.236 nan 8.230 nan 0.000 0.433 116 L N -1.763 119.448 121.223 -0.021 0.000 2.056 116 L HA -0.206 4.134 4.340 -0.001 0.000 0.207 116 L C 2.377 179.197 176.870 -0.084 0.000 1.078 116 L CA 1.613 56.411 54.840 -0.069 0.000 0.749 116 L CB -0.461 41.525 42.059 -0.122 0.000 0.901 116 L HN 0.331 nan 8.230 nan 0.000 0.433 117 W N -0.573 120.747 121.300 0.033 0.000 2.402 117 W HA -0.110 4.550 4.660 -0.001 0.000 0.286 117 W C 2.595 179.122 176.519 0.012 0.000 1.221 117 W CA 0.709 58.068 57.345 0.023 0.000 1.257 117 W CB -0.137 29.332 29.460 0.015 0.000 1.120 117 W HN 0.080 nan 8.180 nan 0.000 0.551 118 A N -0.288 122.659 122.820 0.212 0.000 2.067 118 A HA 0.060 4.379 4.320 -0.001 0.000 0.219 118 A C 1.843 179.483 177.584 0.092 0.000 1.158 118 A CA 1.552 53.654 52.037 0.108 0.000 0.661 118 A CB -0.867 18.145 19.000 0.021 0.000 0.801 118 A HN 0.226 nan 8.150 nan 0.000 0.452 119 G N -1.780 107.086 108.800 0.110 0.000 4.432 119 G HA2 0.435 4.394 3.960 -0.001 0.000 0.294 119 G HA3 0.435 4.394 3.960 -0.001 0.000 0.294 119 G C 0.889 175.842 174.900 0.088 0.000 1.141 119 G CA 0.730 45.926 45.100 0.159 0.000 0.895 119 G HN 0.519 nan 8.290 nan 0.000 0.548 120 A N 0.324 123.192 122.820 0.081 0.000 1.978 120 A HA -0.057 4.262 4.320 -0.001 0.000 0.220 120 A C 2.490 180.083 177.584 0.015 0.000 1.170 120 A CA 2.197 54.245 52.037 0.019 0.000 0.636 120 A CB -0.320 18.753 19.000 0.122 0.000 0.810 120 A HN 0.482 nan 8.150 nan 0.000 0.448 121 S N -0.578 115.149 115.700 0.044 0.000 2.419 121 S HA -0.086 4.383 4.470 -0.001 0.000 0.233 121 S C 1.464 176.059 174.600 -0.007 0.000 1.016 121 S CA 1.482 59.697 58.200 0.026 0.000 0.974 121 S CB -0.463 62.761 63.200 0.040 0.000 0.786 121 S HN 0.870 nan 8.310 nan 0.000 0.492 122 V N -1.303 118.593 119.914 -0.031 0.000 3.342 122 V HA 0.647 4.767 4.120 -0.001 0.000 0.322 122 V C 0.853 176.894 176.094 -0.089 0.000 1.370 122 V CA -0.039 62.211 62.300 -0.083 0.000 1.170 122 V CB -1.099 30.616 31.823 -0.181 0.000 1.101 122 V HN 0.510 nan 8.190 nan 0.000 0.442 123 G N 1.481 110.243 108.800 -0.064 0.000 2.728 123 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.294 123 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.294 123 G C -0.101 174.766 174.900 -0.056 0.000 1.342 123 G CA -0.108 44.956 45.100 -0.060 0.000 0.866 123 G HN 0.438 nan 8.290 nan 0.000 0.534 124 R N 0.114 120.593 120.500 -0.035 0.000 2.662 124 R HA 0.492 4.831 4.340 -0.001 0.000 0.396 124 R C 0.448 176.771 176.300 0.037 0.000 1.096 124 R CA 0.510 56.607 56.100 -0.004 0.000 1.081 124 R CB 0.642 30.926 30.300 -0.027 0.000 1.382 124 R HN 1.117 nan 8.270 nan 0.000 0.580 125 S N -1.762 113.953 115.700 0.025 0.000 2.615 125 S HA 0.790 5.259 4.470 -0.001 0.000 0.269 125 S C 0.167 174.779 174.600 0.020 0.000 1.161 125 S CA -0.270 57.957 58.200 0.044 0.000 0.817 125 S CB 2.113 65.338 63.200 0.043 0.000 1.131 125 S HN 0.330 nan 8.310 nan 0.000 0.467 126 G N 1.219 110.039 108.800 0.032 0.000 2.584 126 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.229 126 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.229 126 G C 0.596 175.493 174.900 -0.005 0.000 1.320 126 G CA 0.241 45.346 45.100 0.009 0.000 0.891 126 G HN 1.356 nan 8.290 nan 0.000 0.573 127 M N 0.142 119.725 119.600 -0.029 0.000 2.144 127 M HA -0.071 4.408 4.480 -0.001 0.000 0.260 127 M C 2.778 179.041 176.300 -0.062 0.000 1.067 127 M CA 3.244 58.520 55.300 -0.039 0.000 1.095 127 M CB -0.479 32.094 32.600 -0.045 0.000 1.365 127 M HN 1.184 nan 8.290 nan 0.000 0.406 128 A N -0.653 122.089 122.820 -0.130 0.000 1.930 128 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 128 A C 1.968 179.545 177.584 -0.011 0.000 1.175 128 A CA 1.724 53.646 52.037 -0.191 0.000 0.627 128 A CB -1.137 17.676 19.000 -0.311 0.000 0.815 128 A HN 0.560 nan 8.150 nan 0.000 0.443 129 V N -2.825 117.099 119.914 0.017 0.000 2.871 129 V HA -0.156 3.963 4.120 -0.001 0.000 0.256 129 V C 1.870 178.006 176.094 0.070 0.000 1.082 129 V CA 1.775 64.119 62.300 0.074 0.000 1.105 129 V CB -0.984 30.933 31.823 0.157 0.000 0.713 129 V HN 0.576 nan 8.190 nan 0.000 0.473 130 Q N 0.706 120.534 119.800 0.046 0.000 2.369 130 Q HA 0.114 4.453 4.340 -0.001 0.000 0.206 130 Q C 2.299 178.321 176.000 0.038 0.000 0.963 130 Q CA 1.356 57.180 55.803 0.035 0.000 0.894 130 Q CB -0.171 28.567 28.738 0.000 0.000 0.965 130 Q HN 0.797 nan 8.270 nan 0.000 0.475 131 A N 0.277 123.127 122.820 0.049 0.000 2.021 131 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 131 A C 1.830 179.415 177.584 0.002 0.000 1.163 131 A CA 0.451 52.525 52.037 0.062 0.000 0.676 131 A CB -0.076 19.022 19.000 0.164 0.000 0.818 131 A HN 0.244 nan 8.150 nan 0.000 0.453 132 I N -0.616 119.931 120.570 -0.038 0.000 2.716 132 I HA -0.123 4.046 4.170 -0.001 0.000 0.259 132 I C 2.407 178.478 176.117 -0.078 0.000 1.172 132 I CA 0.624 61.827 61.300 -0.161 0.000 1.478 132 I CB -0.137 37.611 38.000 -0.420 0.000 1.104 132 I HN 0.180 nan 8.210 nan 0.000 0.439 133 S N 1.608 117.318 115.700 0.015 0.000 2.368 133 S HA -0.159 4.310 4.470 -0.001 0.000 0.226 133 S C -0.376 174.247 174.600 0.039 0.000 1.044 133 S CA 1.899 60.138 58.200 0.064 0.000 1.062 133 S CB -1.422 61.813 63.200 0.058 0.000 0.931 133 S HN 0.308 nan 8.310 nan 0.000 0.440 134 P HA -0.057 nan 4.420 nan 0.000 0.215 134 P C 1.261 178.592 177.300 0.050 0.000 1.153 134 P CA 1.003 64.138 63.100 0.058 0.000 0.853 134 P CB -0.096 31.661 31.700 0.095 0.000 0.788 135 I N -0.647 119.931 120.570 0.014 0.000 2.233 135 I HA -0.222 3.947 4.170 -0.001 0.000 0.243 135 I C 2.218 178.357 176.117 0.037 0.000 1.093 135 I CA 1.722 63.019 61.300 -0.006 0.000 1.380 135 I CB -0.748 37.205 38.000 -0.077 0.000 1.067 135 I HN -0.060 nan 8.210 nan 0.000 0.413 136 D N 1.379 121.820 120.400 0.067 0.000 2.104 136 D HA -0.202 4.437 4.640 -0.001 0.000 0.194 136 D C 2.160 178.626 176.300 0.277 0.000 0.994 136 D CA 1.561 55.684 54.000 0.204 0.000 0.830 136 D CB -0.033 40.974 40.800 0.344 0.000 0.959 136 D HN 0.279 nan 8.370 nan 0.000 0.452 137 I N 0.322 121.002 120.570 0.184 0.000 2.286 137 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 137 I C 2.446 178.656 176.117 0.155 0.000 1.115 137 I CA 0.979 62.367 61.300 0.148 0.000 1.392 137 I CB -0.328 37.660 38.000 -0.019 0.000 1.065 137 I HN 0.095 nan 8.210 nan 0.000 0.418 138 A N 0.826 123.717 122.820 0.119 0.000 1.969 138 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 138 A C 2.274 179.918 177.584 0.099 0.000 1.169 138 A CA 1.225 53.330 52.037 0.114 0.000 0.635 138 A CB -0.674 18.385 19.000 0.098 0.000 0.810 138 A HN 0.385 nan 8.150 nan 0.000 0.445 139 L N -2.887 118.377 121.223 0.070 0.000 2.141 139 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 139 L C 2.500 179.332 176.870 -0.063 0.000 1.094 139 L CA 0.967 55.792 54.840 -0.024 0.000 0.763 139 L CB -0.423 41.579 42.059 -0.096 0.000 0.908 139 L HN 0.589 nan 8.230 nan 0.000 0.437 140 W N 0.607 121.905 121.300 -0.004 0.000 2.418 140 W HA -0.180 4.479 4.660 -0.001 0.000 0.292 140 W C 2.367 178.861 176.519 -0.041 0.000 1.213 140 W CA 1.287 58.616 57.345 -0.026 0.000 1.283 140 W CB -0.214 29.227 29.460 -0.031 0.000 1.119 140 W HN 0.216 nan 8.180 nan 0.000 0.542 141 D N -0.010 120.510 120.400 0.199 0.000 2.104 141 D HA -0.271 4.368 4.640 -0.001 0.000 0.194 141 D C 2.166 178.519 176.300 0.089 0.000 0.994 141 D CA 1.920 55.987 54.000 0.111 0.000 0.830 141 D CB -0.381 40.487 40.800 0.113 0.000 0.959 141 D HN 0.040 nan 8.370 nan 0.000 0.452 142 M N -0.100 119.547 119.600 0.077 0.000 2.086 142 M HA -0.183 4.296 4.480 -0.001 0.000 0.261 142 M C 2.159 178.439 176.300 -0.033 0.000 1.067 142 M CA 1.534 56.868 55.300 0.056 0.000 1.116 142 M CB -0.111 32.518 32.600 0.049 0.000 1.348 142 M HN -0.065 nan 8.290 nan 0.000 0.407 143 K N -0.004 120.347 120.400 -0.081 0.000 2.097 143 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 143 K C 1.772 178.319 176.600 -0.089 0.000 1.049 143 K CA 1.398 57.596 56.287 -0.148 0.000 0.933 143 K CB -0.150 32.223 32.500 -0.212 0.000 0.717 143 K HN 0.446 nan 8.250 nan 0.000 0.442 144 A N 1.393 124.209 122.820 -0.007 0.000 1.898 144 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 144 A C 1.871 179.428 177.584 -0.045 0.000 1.181 144 A CA 1.594 53.625 52.037 -0.010 0.000 0.620 144 A CB -0.317 18.688 19.000 0.008 0.000 0.819 144 A HN 0.294 nan 8.150 nan 0.000 0.442 145 K N -0.788 119.621 120.400 0.016 0.000 2.147 145 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 145 K C 2.290 178.931 176.600 0.068 0.000 1.049 145 K CA 1.276 57.617 56.287 0.090 0.000 0.936 145 K CB -0.139 32.474 32.500 0.187 0.000 0.722 145 K HN 0.475 nan 8.250 nan 0.000 0.446 146 R N 0.707 121.164 120.500 -0.071 0.000 2.115 146 R HA -0.069 4.270 4.340 -0.001 0.000 0.230 146 R C 1.754 177.972 176.300 -0.137 0.000 1.111 146 R CA 1.327 57.264 56.100 -0.272 0.000 0.976 146 R CB -0.044 29.874 30.300 -0.636 0.000 0.870 146 R HN 0.147 nan 8.270 nan 0.000 0.445 147 A N -0.231 122.511 122.820 -0.131 0.000 2.251 147 A HA 0.221 4.540 4.320 -0.001 0.000 0.209 147 A C 1.181 178.668 177.584 -0.163 0.000 1.187 147 A CA 0.597 52.564 52.037 -0.116 0.000 0.823 147 A CB -0.050 18.890 19.000 -0.099 0.000 0.846 147 A HN 0.523 nan 8.150 nan 0.000 0.486 148 G N -0.783 107.862 108.800 -0.258 0.000 2.246 148 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.273 148 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.273 148 G C -0.174 174.211 174.900 -0.858 0.000 1.055 148 G CA 0.672 45.390 45.100 -0.636 0.000 0.851 148 G HN 0.540 nan 8.290 nan 0.000 0.500 149 L N -1.132 119.769 121.223 -0.535 0.000 2.371 149 L HA 0.566 4.905 4.340 -0.001 0.000 0.262 149 L C -2.381 174.441 176.870 -0.080 0.000 1.006 149 L CA -2.740 51.955 54.840 -0.241 0.000 0.818 149 L CB 2.491 44.484 42.059 -0.111 0.000 1.354 149 L HN -0.172 nan 8.230 nan 0.000 0.415 150 P HA 0.053 nan 4.420 nan 0.000 0.272 150 P C 0.415 177.692 177.300 -0.038 0.000 1.223 150 P CA -0.420 62.718 63.100 0.063 0.000 0.784 150 P CB 0.751 32.549 31.700 0.162 0.000 0.923 151 L N 3.952 125.010 121.223 -0.275 0.000 2.043 151 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 151 L C 2.062 178.900 176.870 -0.054 0.000 1.075 151 L CA 2.437 57.118 54.840 -0.264 0.000 0.752 151 L CB -1.584 40.142 42.059 -0.556 0.000 0.891 151 L HN 0.422 nan 8.230 nan 0.000 0.432 152 A N -0.885 122.041 122.820 0.177 0.000 1.940 152 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 152 A C 2.232 179.864 177.584 0.080 0.000 1.176 152 A CA 1.833 53.986 52.037 0.193 0.000 0.631 152 A CB -0.491 18.659 19.000 0.251 0.000 0.814 152 A HN 0.443 nan 8.150 nan 0.000 0.446 153 K N -0.901 119.538 120.400 0.065 0.000 2.228 153 K HA 0.028 4.347 4.320 -0.001 0.000 0.202 153 K C 1.835 178.444 176.600 0.015 0.000 1.051 153 K CA 0.851 57.154 56.287 0.028 0.000 0.960 153 K CB -0.584 31.930 32.500 0.024 0.000 0.743 153 K HN 0.477 nan 8.250 nan 0.000 0.458 154 L N 1.238 122.475 121.223 0.023 0.000 2.056 154 L HA -0.076 4.263 4.340 -0.001 0.000 0.207 154 L C 1.958 178.870 176.870 0.069 0.000 1.078 154 L CA 1.450 56.317 54.840 0.045 0.000 0.749 154 L CB -0.428 41.679 42.059 0.081 0.000 0.901 154 L HN 0.017 nan 8.230 nan 0.000 0.433 155 L N -0.115 121.139 121.223 0.051 0.000 2.156 155 L HA 0.185 4.524 4.340 -0.001 0.000 0.208 155 L C 0.905 177.782 176.870 0.013 0.000 1.095 155 L CA 0.507 55.365 54.840 0.030 0.000 0.770 155 L CB -0.967 41.075 42.059 -0.029 0.000 0.914 155 L HN 0.509 nan 8.230 nan 0.000 0.439 156 G N 0.130 108.929 108.800 -0.003 0.000 3.434 156 G HA2 0.157 4.116 3.960 -0.001 0.000 0.686 156 G HA3 0.157 4.116 3.960 -0.001 0.000 0.686 156 G C -0.627 174.229 174.900 -0.074 0.000 1.099 156 G CA -0.561 44.509 45.100 -0.049 0.000 0.931 156 G HN 0.390 nan 8.290 nan 0.000 0.520 157 A N 2.940 125.711 122.820 -0.081 0.000 2.306 157 A HA 0.855 5.174 4.320 -0.001 0.000 0.330 157 A C 0.698 178.185 177.584 -0.162 0.000 1.146 157 A CA -0.463 51.539 52.037 -0.060 0.000 0.827 157 A CB 0.874 19.872 19.000 -0.004 0.000 1.178 157 A HN 0.894 nan 8.150 nan 0.000 0.490 158 H N 0.602 119.669 119.070 -0.004 0.000 2.740 158 H HA 0.156 4.711 4.556 -0.001 0.000 0.265 158 H C 0.190 175.501 175.328 -0.029 0.000 0.978 158 H CA 0.866 56.904 56.048 -0.017 0.000 1.198 158 H CB 0.494 30.243 29.762 -0.021 0.000 1.467 158 H HN 0.761 nan 8.280 nan 0.000 0.511 159 R N -0.348 120.186 120.500 0.058 0.000 2.663 159 R HA 0.197 4.536 4.340 -0.001 0.000 0.267 159 R C -1.294 174.974 176.300 -0.053 0.000 1.038 159 R CA -0.628 55.462 56.100 -0.017 0.000 0.886 159 R CB 0.978 31.247 30.300 -0.052 0.000 1.249 159 R HN -0.261 nan 8.270 nan 0.000 0.463 160 D N 0.724 121.068 120.400 -0.092 0.000 2.349 160 D HA 0.088 4.727 4.640 -0.001 0.000 0.214 160 D C -0.207 175.954 176.300 -0.233 0.000 1.063 160 D CA 0.616 54.570 54.000 -0.077 0.000 0.847 160 D CB 0.692 41.517 40.800 0.041 0.000 0.933 160 D HN 0.585 nan 8.370 nan 0.000 0.513 161 S N -0.565 114.879 115.700 -0.426 0.000 2.565 161 S HA 0.587 5.056 4.470 -0.001 0.000 0.269 161 S C -0.858 173.468 174.600 -0.457 0.000 1.153 161 S CA -0.931 56.863 58.200 -0.677 0.000 0.835 161 S CB 2.196 64.387 63.200 -1.682 0.000 1.122 161 S HN -0.033 nan 8.310 nan 0.000 0.462 162 V N -0.924 118.763 119.914 -0.378 0.000 2.709 162 V HA 0.619 4.738 4.120 -0.001 0.000 0.308 162 V C -0.531 175.404 176.094 -0.265 0.000 1.062 162 V CA -0.984 61.157 62.300 -0.264 0.000 0.901 162 V CB 1.276 33.016 31.823 -0.137 0.000 1.003 162 V HN 1.031 nan 8.190 nan 0.000 0.425 163 Q N 2.035 121.608 119.800 -0.378 0.000 2.304 163 Q HA 0.217 4.556 4.340 -0.001 0.000 0.315 163 Q C -0.204 175.693 176.000 -0.171 0.000 1.075 163 Q CA 0.558 56.050 55.803 -0.518 0.000 0.988 163 Q CB 0.801 28.739 28.738 -1.334 0.000 1.146 163 Q HN 0.906 nan 8.270 nan 0.000 0.383 164 C N 4.563 123.907 119.300 0.074 0.000 2.498 164 C HA 0.717 5.176 4.460 -0.001 0.000 0.316 164 C C -1.307 173.937 174.990 0.423 0.000 1.209 164 C CA -0.656 58.515 59.018 0.256 0.000 1.518 164 C CB 0.170 27.974 27.740 0.107 0.000 2.147 164 C HN 0.836 nan 8.230 nan 0.000 0.483 165 Y N 4.536 125.040 120.300 0.340 0.000 2.524 165 Y HA 0.595 5.144 4.550 -0.001 0.000 0.344 165 Y C -0.496 175.443 175.900 0.065 0.000 1.012 165 Y CA -1.125 57.052 58.100 0.128 0.000 1.068 165 Y CB 0.795 39.161 38.460 -0.157 0.000 1.249 165 Y HN 0.725 nan 8.280 nan 0.000 0.468 166 N N 1.083 119.850 118.700 0.110 0.000 2.473 166 N HA 0.288 5.028 4.740 -0.001 0.000 0.291 166 N C -0.581 174.910 175.510 -0.031 0.000 1.083 166 N CA -0.108 52.939 53.050 -0.005 0.000 0.951 166 N CB 2.091 40.595 38.487 0.029 0.000 1.164 166 N HN 0.974 nan 8.380 nan 0.000 0.480 167 T N 0.327 114.691 114.554 -0.317 0.000 3.026 167 T HA -0.043 4.306 4.350 -0.001 0.000 0.245 167 T C 1.801 176.250 174.700 -0.419 0.000 1.004 167 T CA 0.627 62.468 62.100 -0.432 0.000 1.069 167 T CB -0.197 68.257 68.868 -0.692 0.000 1.005 167 T HN 0.718 nan 8.240 nan 0.000 0.472 168 S N 1.503 116.936 115.700 -0.446 0.000 2.440 168 S HA -0.013 4.457 4.470 -0.001 0.000 0.238 168 S C 2.030 176.789 174.600 0.265 0.000 1.010 168 S CA 1.159 59.406 58.200 0.079 0.000 0.972 168 S CB -0.670 62.568 63.200 0.064 0.000 0.774 168 S HN 0.489 nan 8.310 nan 0.000 0.501 169 G N 0.097 108.953 108.800 0.093 0.000 3.189 169 G HA2 0.462 4.421 3.960 -0.001 0.000 0.225 169 G HA3 0.462 4.421 3.960 -0.001 0.000 0.225 169 G C 0.661 175.575 174.900 0.022 0.000 1.159 169 G CA 0.077 45.230 45.100 0.088 0.000 0.763 169 G HN 0.639 nan 8.290 nan 0.000 0.549 170 G N 0.072 108.847 108.800 -0.042 0.000 4.144 170 G HA2 0.437 4.396 3.960 -0.001 0.000 0.297 170 G HA3 0.437 4.396 3.960 -0.001 0.000 0.297 170 G C -0.385 174.397 174.900 -0.197 0.000 1.090 170 G CA -0.541 44.481 45.100 -0.130 0.000 0.870 170 G HN 0.126 nan 8.290 nan 0.000 0.532 171 F N -0.122 119.772 119.950 -0.092 0.000 2.403 171 F HA 0.344 4.870 4.527 -0.001 0.000 0.320 171 F C 1.662 177.358 175.800 -0.173 0.000 1.176 171 F CA -0.430 57.523 58.000 -0.079 0.000 1.206 171 F CB 1.321 40.343 39.000 0.036 0.000 1.235 171 F HN -0.112 nan 8.300 nan 0.000 0.565 172 L N 0.911 122.231 121.223 0.162 0.000 2.465 172 L HA -0.161 4.178 4.340 -0.001 0.000 0.224 172 L C 1.785 178.698 176.870 0.072 0.000 1.145 172 L CA 0.684 55.572 54.840 0.079 0.000 0.834 172 L CB -0.677 41.446 42.059 0.106 0.000 0.944 172 L HN 0.729 nan 8.230 nan 0.000 0.451 173 H N -3.560 115.599 119.070 0.148 0.000 2.551 173 H HA 0.108 4.663 4.556 -0.001 0.000 0.266 173 H C 0.425 175.801 175.328 0.080 0.000 0.977 173 H CA 0.003 56.104 56.048 0.089 0.000 1.163 173 H CB -0.603 29.197 29.762 0.064 0.000 1.381 173 H HN -0.058 nan 8.280 nan 0.000 0.581 174 T N 3.468 117.815 114.554 -0.345 0.000 2.743 174 T HA 0.244 4.594 4.350 -0.001 0.000 0.293 174 T C -2.411 172.252 174.700 -0.062 0.000 0.945 174 T CA -1.395 60.592 62.100 -0.188 0.000 1.030 174 T CB 1.397 70.126 68.868 -0.232 0.000 0.912 174 T HN 0.182 nan 8.240 nan 0.000 0.483 175 P HA 0.075 nan 4.420 nan 0.000 0.269 175 P C 0.979 178.268 177.300 -0.017 0.000 1.209 175 P CA -0.538 62.559 63.100 -0.005 0.000 0.776 175 P CB 0.502 32.207 31.700 0.009 0.000 0.876 176 L N 2.842 124.055 121.223 -0.017 0.000 2.043 176 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 176 L C 1.824 178.680 176.870 -0.023 0.000 1.075 176 L CA 1.981 56.805 54.840 -0.026 0.000 0.752 176 L CB -1.161 40.884 42.059 -0.024 0.000 0.891 176 L HN 0.463 nan 8.230 nan 0.000 0.432 177 D N -1.167 119.225 120.400 -0.014 0.000 2.116 177 D HA -0.301 4.338 4.640 -0.001 0.000 0.193 177 D C 1.991 178.284 176.300 -0.011 0.000 0.998 177 D CA 1.725 55.718 54.000 -0.011 0.000 0.836 177 D CB 0.126 40.923 40.800 -0.003 0.000 0.951 177 D HN 0.509 nan 8.370 nan 0.000 0.449 178 Q N 0.396 120.193 119.800 -0.006 0.000 2.119 178 Q HA -0.067 4.272 4.340 -0.001 0.000 0.201 178 Q C 2.241 178.236 176.000 -0.009 0.000 0.972 178 Q CA 1.040 56.843 55.803 -0.000 0.000 0.847 178 Q CB -0.354 28.391 28.738 0.011 0.000 0.903 178 Q HN 0.182 nan 8.270 nan 0.000 0.433 179 V N 0.505 120.405 119.914 -0.023 0.000 2.332 179 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 179 V C 2.237 178.307 176.094 -0.040 0.000 1.055 179 V CA 1.727 64.006 62.300 -0.035 0.000 1.038 179 V CB -0.577 31.214 31.823 -0.053 0.000 0.651 179 V HN 0.383 nan 8.190 nan 0.000 0.450 180 L N -0.729 120.470 121.223 -0.040 0.000 2.141 180 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 180 L C 2.533 179.379 176.870 -0.041 0.000 1.094 180 L CA 1.546 56.358 54.840 -0.047 0.000 0.763 180 L CB -0.606 41.428 42.059 -0.042 0.000 0.908 180 L HN 0.278 nan 8.230 nan 0.000 0.437 181 K N -0.097 120.288 120.400 -0.026 0.000 2.097 181 K HA -0.106 4.213 4.320 -0.001 0.000 0.205 181 K C 1.930 178.521 176.600 -0.016 0.000 1.050 181 K CA 1.123 57.399 56.287 -0.018 0.000 0.938 181 K CB -0.101 32.397 32.500 -0.004 0.000 0.718 181 K HN 0.257 nan 8.250 nan 0.000 0.442 182 N N 0.657 119.351 118.700 -0.010 0.000 2.120 182 N HA -0.134 4.605 4.740 -0.001 0.000 0.188 182 N C 1.818 177.316 175.510 -0.021 0.000 1.024 182 N CA 0.943 53.993 53.050 0.000 0.000 0.852 182 N CB -0.452 38.043 38.487 0.012 0.000 1.003 182 N HN -0.065 nan 8.380 nan 0.000 0.424 183 V N 0.842 120.728 119.914 -0.046 0.000 2.332 183 V HA -0.180 3.939 4.120 -0.001 0.000 0.248 183 V C 2.386 178.418 176.094 -0.103 0.000 1.055 183 V CA 1.201 63.453 62.300 -0.080 0.000 1.038 183 V CB -0.471 31.289 31.823 -0.105 0.000 0.651 183 V HN 0.079 nan 8.190 nan 0.000 0.450 184 V N -0.285 119.579 119.914 -0.083 0.000 2.307 184 V HA -0.227 3.892 4.120 -0.001 0.000 0.245 184 V C 2.174 178.236 176.094 -0.054 0.000 1.045 184 V CA 2.067 64.319 62.300 -0.081 0.000 1.024 184 V CB -0.464 31.325 31.823 -0.057 0.000 0.651 184 V HN 0.431 nan 8.190 nan 0.000 0.449 185 I N 0.099 120.651 120.570 -0.029 0.000 2.163 185 I HA -0.257 3.912 4.170 -0.001 0.000 0.243 185 I C 2.592 178.702 176.117 -0.011 0.000 1.085 185 I CA 1.784 63.079 61.300 -0.008 0.000 1.347 185 I CB -0.463 37.544 38.000 0.013 0.000 1.044 185 I HN 0.271 nan 8.210 nan 0.000 0.408 186 S N 0.113 115.803 115.700 -0.018 0.000 2.355 186 S HA -0.191 4.278 4.470 -0.001 0.000 0.222 186 S C 2.079 176.674 174.600 -0.008 0.000 1.031 186 S CA 1.205 59.395 58.200 -0.016 0.000 0.993 186 S CB -0.326 62.870 63.200 -0.005 0.000 0.859 186 S HN 0.341 nan 8.310 nan 0.000 0.453 187 R N 1.138 121.607 120.500 -0.051 0.000 2.081 187 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 187 R C 1.824 178.111 176.300 -0.022 0.000 1.131 187 R CA 1.243 57.298 56.100 -0.075 0.000 0.960 187 R CB -0.071 30.070 30.300 -0.265 0.000 0.856 187 R HN 0.235 nan 8.270 nan 0.000 0.436 188 E N 0.109 120.291 120.200 -0.029 0.000 2.274 188 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 188 E C 0.884 177.491 176.600 0.011 0.000 0.996 188 E CA 0.594 56.989 56.400 -0.008 0.000 0.840 188 E CB -0.127 29.566 29.700 -0.012 0.000 0.772 188 E HN 0.373 nan 8.360 nan 0.000 0.491 189 N N 0.002 118.709 118.700 0.011 0.000 2.383 189 N HA 0.009 4.748 4.740 -0.001 0.000 0.192 189 N C 0.678 176.207 175.510 0.032 0.000 1.141 189 N CA 0.732 53.792 53.050 0.016 0.000 0.851 189 N CB 0.984 39.471 38.487 0.001 0.000 0.976 189 N HN 0.223 nan 8.380 nan 0.000 0.465 190 G N 1.347 110.181 108.800 0.056 0.000 2.132 190 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.234 190 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.234 190 G C 0.136 175.108 174.900 0.120 0.000 0.989 190 G CA -0.254 44.902 45.100 0.094 0.000 0.676 190 G HN 0.294 nan 8.290 nan 0.000 0.522 191 I N 1.077 121.719 120.570 0.121 0.000 2.836 191 I HA 0.527 4.696 4.170 -0.001 0.000 0.285 191 I C 1.587 177.874 176.117 0.283 0.000 1.174 191 I CA 0.988 62.381 61.300 0.154 0.000 1.405 191 I CB 1.233 39.313 38.000 0.133 0.000 1.385 191 I HN 0.169 nan 8.210 nan 0.000 0.594 192 G N 4.114 113.057 108.800 0.238 0.000 3.126 192 G HA2 0.552 4.511 3.960 -0.001 0.000 0.224 192 G HA3 0.552 4.511 3.960 -0.001 0.000 0.224 192 G C 0.286 175.205 174.900 0.033 0.000 1.142 192 G CA 0.481 45.678 45.100 0.163 0.000 0.759 192 G HN 1.039 nan 8.290 nan 0.000 0.550 193 G N -0.477 108.417 108.800 0.157 0.000 2.523 193 G HA2 0.455 4.415 3.960 -0.001 0.000 0.291 193 G HA3 0.455 4.415 3.960 -0.001 0.000 0.291 193 G C -2.026 172.971 174.900 0.162 0.000 1.450 193 G CA -0.641 44.439 45.100 -0.033 0.000 0.790 193 G HN 0.002 nan 8.290 nan 0.000 0.496 194 I N 0.698 121.281 120.570 0.021 0.000 2.533 194 I HA 0.479 4.648 4.170 -0.001 0.000 0.290 194 I C -0.356 175.632 176.117 -0.215 0.000 1.056 194 I CA -0.829 60.469 61.300 -0.005 0.000 1.057 194 I CB 1.924 39.944 38.000 0.034 0.000 1.240 194 I HN 0.481 nan 8.210 nan 0.000 0.423 195 K N 5.792 126.087 120.400 -0.175 0.000 2.221 195 K HA 0.600 4.919 4.320 -0.001 0.000 0.258 195 K C -1.673 174.789 176.600 -0.230 0.000 0.944 195 K CA -0.681 55.423 56.287 -0.305 0.000 0.823 195 K CB 2.294 34.641 32.500 -0.254 0.000 1.113 195 K HN 0.441 nan 8.250 nan 0.000 0.431 196 L N 3.989 125.066 121.223 -0.244 0.000 2.341 196 L HA 0.398 4.737 4.340 -0.001 0.000 0.278 196 L C -0.887 175.852 176.870 -0.219 0.000 1.005 196 L CA -0.465 54.246 54.840 -0.216 0.000 0.818 196 L CB 1.277 43.223 42.059 -0.188 0.000 1.259 196 L HN 0.454 nan 8.230 nan 0.000 0.418 197 K N 4.506 124.756 120.400 -0.250 0.000 2.322 197 K HA 0.487 4.807 4.320 -0.001 0.000 0.283 197 K C -0.282 176.228 176.600 -0.149 0.000 1.042 197 K CA -0.076 56.072 56.287 -0.231 0.000 0.958 197 K CB 1.260 33.596 32.500 -0.272 0.000 0.984 197 K HN 0.572 nan 8.250 nan 0.000 0.473 198 V N -2.059 117.756 119.914 -0.165 0.000 3.105 198 V HA 0.868 4.987 4.120 -0.001 0.000 0.311 198 V C 0.760 176.711 176.094 -0.238 0.000 1.282 198 V CA -0.201 62.031 62.300 -0.115 0.000 1.065 198 V CB 1.220 33.032 31.823 -0.018 0.000 1.136 198 V HN 0.806 nan 8.190 nan 0.000 0.469 199 G N 0.127 108.810 108.800 -0.195 0.000 2.163 199 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.213 199 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.213 199 G C 0.132 175.006 174.900 -0.044 0.000 0.991 199 G CA 0.361 45.218 45.100 -0.405 0.000 0.653 199 G HN 1.467 nan 8.290 nan 0.000 0.518 200 Q N 0.098 119.933 119.800 0.059 0.000 2.417 200 Q HA 0.584 4.923 4.340 -0.001 0.000 0.241 200 Q C -1.436 174.642 176.000 0.130 0.000 1.008 200 Q CA -0.953 54.896 55.803 0.077 0.000 0.901 200 Q CB 1.084 29.861 28.738 0.066 0.000 1.259 200 Q HN 0.122 nan 8.270 nan 0.000 0.489 201 P HA -0.190 nan 4.420 nan 0.000 0.216 201 P C 0.028 177.386 177.300 0.096 0.000 1.153 201 P CA 1.399 64.559 63.100 0.101 0.000 0.858 201 P CB 0.058 31.800 31.700 0.070 0.000 0.789 202 N N -0.215 118.534 118.700 0.080 0.000 2.549 202 N HA -0.018 4.721 4.740 -0.001 0.000 0.267 202 N C 0.684 176.244 175.510 0.083 0.000 1.182 202 N CA 0.025 53.114 53.050 0.066 0.000 1.019 202 N CB -0.642 37.875 38.487 0.050 0.000 1.380 202 N HN 0.014 nan 8.380 nan 0.000 0.505 203 C N 1.964 121.316 119.300 0.086 0.000 2.413 203 C HA -0.137 4.322 4.460 -0.001 0.000 0.276 203 C C 2.594 177.623 174.990 0.065 0.000 1.248 203 C CA 1.072 60.146 59.018 0.093 0.000 1.742 203 C CB -1.306 26.450 27.740 0.026 0.000 2.017 203 C HN 0.820 nan 8.230 nan 0.000 0.481 204 A N 0.493 123.337 122.820 0.041 0.000 1.940 204 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 204 A C 2.038 179.645 177.584 0.038 0.000 1.176 204 A CA 2.262 54.319 52.037 0.034 0.000 0.631 204 A CB -0.539 18.476 19.000 0.024 0.000 0.814 204 A HN 0.573 nan 8.150 nan 0.000 0.446 205 E N 0.429 120.654 120.200 0.041 0.000 2.106 205 E HA -0.146 4.203 4.350 -0.001 0.000 0.192 205 E C 1.353 177.972 176.600 0.031 0.000 0.984 205 E CA 1.435 57.854 56.400 0.033 0.000 0.806 205 E CB -0.271 29.449 29.700 0.033 0.000 0.750 205 E HN 0.527 nan 8.360 nan 0.000 0.458 206 D N -0.155 120.279 120.400 0.056 0.000 2.117 206 D HA -0.122 4.517 4.640 -0.001 0.000 0.198 206 D C 1.775 178.091 176.300 0.027 0.000 0.982 206 D CA 0.680 54.713 54.000 0.055 0.000 0.828 206 D CB -0.056 40.825 40.800 0.135 0.000 0.967 206 D HN 0.225 nan 8.370 nan 0.000 0.464 207 I N 0.860 121.461 120.570 0.051 0.000 2.286 207 I HA -0.182 3.987 4.170 -0.001 0.000 0.248 207 I C 2.438 178.566 176.117 0.018 0.000 1.115 207 I CA 0.798 62.132 61.300 0.057 0.000 1.392 207 I CB -0.787 37.270 38.000 0.095 0.000 1.065 207 I HN 0.049 nan 8.210 nan 0.000 0.418 208 R N 1.191 121.700 120.500 0.015 0.000 2.070 208 R HA -0.162 4.177 4.340 -0.001 0.000 0.233 208 R C 2.478 178.757 176.300 -0.036 0.000 1.137 208 R CA 1.462 57.563 56.100 0.003 0.000 0.945 208 R CB -0.098 30.207 30.300 0.008 0.000 0.845 208 R HN 0.228 nan 8.270 nan 0.000 0.430 209 R N 0.260 120.732 120.500 -0.047 0.000 2.083 209 R HA -0.158 4.181 4.340 -0.001 0.000 0.237 209 R C 2.395 178.612 176.300 -0.138 0.000 1.137 209 R CA 1.571 57.626 56.100 -0.074 0.000 0.951 209 R CB -0.603 29.661 30.300 -0.061 0.000 0.851 209 R HN 0.206 nan 8.270 nan 0.000 0.434 210 L N 1.088 122.194 121.223 -0.196 0.000 2.046 210 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 210 L C 2.336 178.891 176.870 -0.525 0.000 1.077 210 L CA 2.362 56.974 54.840 -0.381 0.000 0.747 210 L CB -0.857 40.917 42.059 -0.476 0.000 0.896 210 L HN 0.361 nan 8.230 nan 0.000 0.432 211 T N -3.192 111.137 114.554 -0.375 0.000 2.821 211 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 211 T C 1.903 176.548 174.700 -0.091 0.000 1.046 211 T CA 1.026 63.021 62.100 -0.175 0.000 1.139 211 T CB -0.861 68.058 68.868 0.084 0.000 0.871 211 T HN 0.357 nan 8.240 nan 0.000 0.454 212 A N 1.105 123.871 122.820 -0.090 0.000 1.898 212 A HA 0.117 4.436 4.320 -0.001 0.000 0.216 212 A C 2.633 180.169 177.584 -0.081 0.000 1.181 212 A CA 1.460 53.460 52.037 -0.062 0.000 0.620 212 A CB -1.035 17.933 19.000 -0.053 0.000 0.819 212 A HN 0.410 nan 8.150 nan 0.000 0.442 213 V N 0.275 120.115 119.914 -0.123 0.000 2.358 213 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 213 V C 2.692 178.722 176.094 -0.107 0.000 1.047 213 V CA 2.327 64.554 62.300 -0.121 0.000 1.035 213 V CB -0.809 30.925 31.823 -0.149 0.000 0.658 213 V HN 0.671 nan 8.190 nan 0.000 0.452 214 R N 0.791 121.212 120.500 -0.131 0.000 2.081 214 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 214 R C 2.223 178.523 176.300 -0.000 0.000 1.131 214 R CA 1.790 57.858 56.100 -0.053 0.000 0.960 214 R CB -0.773 29.516 30.300 -0.018 0.000 0.856 214 R HN 0.486 nan 8.270 nan 0.000 0.436 215 E N 0.322 120.521 120.200 -0.002 0.000 2.077 215 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 215 E C 1.633 178.225 176.600 -0.013 0.000 0.989 215 E CA 1.600 58.006 56.400 0.010 0.000 0.800 215 E CB -0.237 29.470 29.700 0.011 0.000 0.746 215 E HN 0.406 nan 8.360 nan 0.000 0.452 216 A N 0.622 123.420 122.820 -0.037 0.000 2.015 216 A HA -0.061 4.258 4.320 -0.001 0.000 0.219 216 A C 2.380 179.917 177.584 -0.079 0.000 1.163 216 A CA 0.831 52.834 52.037 -0.056 0.000 0.646 216 A CB -0.379 18.580 19.000 -0.068 0.000 0.806 216 A HN 0.287 nan 8.150 nan 0.000 0.448 217 L N -1.667 119.511 121.223 -0.075 0.000 2.307 217 L HA 0.277 4.616 4.340 -0.001 0.000 0.211 217 L C 1.276 178.131 176.870 -0.025 0.000 1.099 217 L CA 0.556 55.336 54.840 -0.100 0.000 0.816 217 L CB -0.407 41.622 42.059 -0.049 0.000 0.952 217 L HN 0.618 nan 8.230 nan 0.000 0.455 218 G N -0.063 108.745 108.800 0.013 0.000 2.662 218 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.686 218 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.686 218 G C -0.391 174.554 174.900 0.075 0.000 1.271 218 G CA -0.245 44.879 45.100 0.041 0.000 0.816 218 G HN 0.088 nan 8.290 nan 0.000 0.608 219 D N 0.186 120.628 120.400 0.071 0.000 2.144 219 D HA -0.011 4.629 4.640 -0.001 0.000 0.199 219 D C 2.272 178.623 176.300 0.083 0.000 0.984 219 D CA 1.690 55.735 54.000 0.075 0.000 0.834 219 D CB 0.184 41.018 40.800 0.056 0.000 0.955 219 D HN 0.481 nan 8.370 nan 0.000 0.465 220 E N -0.405 119.854 120.200 0.098 0.000 2.230 220 E HA -0.016 4.333 4.350 -0.001 0.000 0.192 220 E C 0.405 177.073 176.600 0.114 0.000 0.987 220 E CA -0.189 56.267 56.400 0.094 0.000 0.841 220 E CB -0.238 29.515 29.700 0.089 0.000 0.783 220 E HN 0.259 nan 8.360 nan 0.000 0.481 221 F N 2.759 122.714 119.950 0.008 0.000 2.578 221 F HA 0.076 4.602 4.527 -0.002 0.000 0.376 221 F C -1.874 173.906 175.800 -0.032 0.000 1.085 221 F CA -2.143 55.858 58.000 0.001 0.000 1.260 221 F CB 0.475 39.469 39.000 -0.011 0.000 1.095 221 F HN -0.218 nan 8.300 nan 0.000 0.573 222 P HA 0.114 nan 4.420 nan 0.000 0.262 222 P C -1.287 175.808 177.300 -0.342 0.000 1.199 222 P CA 0.189 63.060 63.100 -0.380 0.000 0.763 222 P CB 0.640 32.110 31.700 -0.384 0.000 0.790 223 L N 5.404 126.422 121.223 -0.343 0.000 2.431 223 L HA 0.668 5.007 4.340 -0.001 0.000 0.266 223 L C -0.971 175.571 176.870 -0.548 0.000 0.978 223 L CA -0.577 54.056 54.840 -0.345 0.000 0.822 223 L CB 1.599 43.557 42.059 -0.169 0.000 1.310 223 L HN 0.252 nan 8.230 nan 0.000 0.409 224 M N 4.894 124.086 119.600 -0.680 0.000 2.631 224 M HA 0.816 5.295 4.480 -0.001 0.000 0.288 224 M C -0.999 174.998 176.300 -0.504 0.000 1.260 224 M CA -0.884 53.915 55.300 -0.835 0.000 0.842 224 M CB 1.429 32.963 32.600 -1.776 0.000 1.743 224 M HN 0.449 nan 8.290 nan 0.000 0.461 225 V N -1.407 118.317 119.914 -0.318 0.000 3.001 225 V HA 0.911 5.030 4.120 -0.001 0.000 0.314 225 V C -1.737 174.315 176.094 -0.070 0.000 1.099 225 V CA -0.445 61.756 62.300 -0.165 0.000 0.989 225 V CB 2.230 34.009 31.823 -0.073 0.000 1.040 225 V HN 0.977 nan 8.190 nan 0.000 0.434 226 D N 1.702 122.031 120.400 -0.117 0.000 2.736 226 D HA 0.714 5.353 4.640 -0.001 0.000 0.243 226 D C 0.267 176.418 176.300 -0.249 0.000 1.304 226 D CA 0.199 54.130 54.000 -0.115 0.000 0.934 226 D CB 2.071 42.833 40.800 -0.063 0.000 1.382 226 D HN 0.918 nan 8.370 nan 0.000 0.571 227 A N 3.637 126.225 122.820 -0.388 0.000 2.238 227 A HA 0.133 4.452 4.320 -0.001 0.000 0.210 227 A C 0.854 178.202 177.584 -0.394 0.000 1.179 227 A CA -0.076 51.572 52.037 -0.649 0.000 0.827 227 A CB -0.301 17.861 19.000 -1.397 0.000 0.856 227 A HN 0.700 nan 8.150 nan 0.000 0.488 228 N N 0.304 118.873 118.700 -0.218 0.000 2.714 228 N HA -0.249 4.490 4.740 -0.001 0.000 0.252 228 N C -0.204 175.241 175.510 -0.107 0.000 1.014 228 N CA 1.301 54.282 53.050 -0.115 0.000 0.735 228 N CB -1.270 37.185 38.487 -0.054 0.000 0.924 228 N HN 0.797 nan 8.380 nan 0.000 0.540 229 Q N -3.175 116.554 119.800 -0.118 0.000 2.374 229 Q HA -0.267 4.072 4.340 -0.001 0.000 0.218 229 Q C 0.254 176.213 176.000 -0.069 0.000 0.691 229 Q CA 1.220 56.989 55.803 -0.058 0.000 1.340 229 Q CB -0.956 27.779 28.738 -0.006 0.000 1.498 229 Q HN 0.440 nan 8.270 nan 0.000 0.739 230 Q N -0.819 118.879 119.800 -0.171 0.000 2.403 230 Q HA 0.027 4.366 4.340 -0.001 0.000 0.203 230 Q C 0.114 176.121 176.000 0.012 0.000 0.932 230 Q CA 0.700 56.436 55.803 -0.112 0.000 0.945 230 Q CB 0.270 28.921 28.738 -0.145 0.000 1.045 230 Q HN 0.312 nan 8.270 nan 0.000 0.511 231 W N 2.034 123.330 121.300 -0.006 0.000 2.509 231 W HA 0.235 4.895 4.660 -0.001 0.000 0.351 231 W C 0.261 176.766 176.519 -0.024 0.000 1.107 231 W CA -1.588 55.747 57.345 -0.015 0.000 1.264 231 W CB 0.601 30.046 29.460 -0.025 0.000 1.312 231 W HN -0.006 nan 8.180 nan 0.000 0.608 232 D N -0.380 120.148 120.400 0.213 0.000 2.466 232 D HA 0.293 4.932 4.640 -0.001 0.000 0.262 232 D C 1.074 177.415 176.300 0.068 0.000 1.177 232 D CA -0.541 53.520 54.000 0.102 0.000 1.035 232 D CB 0.851 41.687 40.800 0.060 0.000 1.105 232 D HN 0.206 nan 8.370 nan 0.000 0.551 233 R N -0.614 119.901 120.500 0.025 0.000 2.096 233 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 233 R C 1.650 177.932 176.300 -0.031 0.000 1.127 233 R CA 1.365 57.462 56.100 -0.005 0.000 0.968 233 R CB -0.202 30.092 30.300 -0.009 0.000 0.861 233 R HN 0.480 nan 8.270 nan 0.000 0.440 234 E N -0.340 119.841 120.200 -0.032 0.000 2.051 234 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 234 E C 2.015 178.550 176.600 -0.109 0.000 0.991 234 E CA 1.743 58.109 56.400 -0.057 0.000 0.799 234 E CB -0.362 29.313 29.700 -0.041 0.000 0.748 234 E HN 0.210 nan 8.360 nan 0.000 0.449 235 T N 0.473 114.950 114.554 -0.128 0.000 2.777 235 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 235 T C 1.925 176.334 174.700 -0.485 0.000 1.040 235 T CA 1.220 63.152 62.100 -0.281 0.000 1.141 235 T CB -0.388 68.327 68.868 -0.256 0.000 0.868 235 T HN 0.274 nan 8.240 nan 0.000 0.444 236 A N 1.407 124.041 122.820 -0.309 0.000 1.883 236 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 236 A C 2.260 179.695 177.584 -0.247 0.000 1.186 236 A CA 1.495 53.372 52.037 -0.267 0.000 0.624 236 A CB -0.797 18.248 19.000 0.075 0.000 0.822 236 A HN 0.434 nan 8.150 nan 0.000 0.444 237 I N -0.565 119.911 120.570 -0.157 0.000 2.315 237 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 237 I C 2.371 178.398 176.117 -0.149 0.000 1.117 237 I CA 1.561 62.791 61.300 -0.116 0.000 1.404 237 I CB -0.427 37.527 38.000 -0.076 0.000 1.071 237 I HN 0.337 nan 8.210 nan 0.000 0.419 238 R N -0.195 120.189 120.500 -0.194 0.000 2.070 238 R HA -0.149 4.190 4.340 -0.001 0.000 0.233 238 R C 2.154 178.316 176.300 -0.229 0.000 1.137 238 R CA 1.675 57.663 56.100 -0.187 0.000 0.945 238 R CB -0.227 29.960 30.300 -0.189 0.000 0.845 238 R HN 0.274 nan 8.270 nan 0.000 0.430 239 M N -0.295 119.069 119.600 -0.394 0.000 2.117 239 M HA -0.066 4.413 4.480 -0.001 0.000 0.262 239 M C 2.354 178.531 176.300 -0.205 0.000 1.065 239 M CA 1.604 56.662 55.300 -0.403 0.000 1.114 239 M CB -1.458 30.583 32.600 -0.932 0.000 1.361 239 M HN 0.314 nan 8.290 nan 0.000 0.408 240 G N 0.646 109.335 108.800 -0.186 0.000 2.491 240 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 240 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 240 G C 1.714 176.590 174.900 -0.040 0.000 1.180 240 G CA 0.631 45.700 45.100 -0.051 0.000 0.774 240 G HN 0.300 nan 8.290 nan 0.000 0.562 241 R N 0.523 120.982 120.500 -0.068 0.000 2.083 241 R HA -0.069 4.270 4.340 -0.001 0.000 0.237 241 R C 2.432 178.690 176.300 -0.069 0.000 1.137 241 R CA 1.533 57.596 56.100 -0.061 0.000 0.951 241 R CB -0.832 29.427 30.300 -0.068 0.000 0.851 241 R HN 0.435 nan 8.270 nan 0.000 0.434 242 K N 0.215 120.572 120.400 -0.073 0.000 2.283 242 K HA 0.012 4.331 4.320 -0.001 0.000 0.202 242 K C 1.833 178.393 176.600 -0.065 0.000 1.048 242 K CA 0.953 57.198 56.287 -0.070 0.000 0.948 242 K CB 0.118 32.592 32.500 -0.044 0.000 0.742 242 K HN 0.097 nan 8.250 nan 0.000 0.458 243 M N 0.225 119.836 119.600 0.019 0.000 2.495 243 M HA 0.017 4.497 4.480 -0.001 0.000 0.237 243 M C 1.035 177.356 176.300 0.035 0.000 1.131 243 M CA 0.267 55.664 55.300 0.162 0.000 1.032 243 M CB 0.447 33.205 32.600 0.263 0.000 1.513 243 M HN 0.040 nan 8.290 nan 0.000 0.488 244 E N 1.539 121.709 120.200 -0.050 0.000 2.118 244 E HA -0.251 4.098 4.350 -0.001 0.000 0.195 244 E C 1.932 178.466 176.600 -0.110 0.000 0.992 244 E CA 1.569 57.940 56.400 -0.050 0.000 0.804 244 E CB -0.342 29.326 29.700 -0.053 0.000 0.741 244 E HN 0.728 nan 8.360 nan 0.000 0.458 245 Q N -0.207 119.435 119.800 -0.264 0.000 2.234 245 Q HA -0.140 4.199 4.340 -0.001 0.000 0.206 245 Q C 1.653 177.468 176.000 -0.309 0.000 0.980 245 Q CA 1.300 56.896 55.803 -0.344 0.000 0.869 245 Q CB -0.482 27.942 28.738 -0.523 0.000 0.912 245 Q HN 0.195 nan 8.270 nan 0.000 0.436 246 F N 1.509 121.449 119.950 -0.018 0.000 2.748 246 F HA 0.141 4.668 4.527 -0.001 0.000 0.299 246 F C 0.066 175.846 175.800 -0.032 0.000 1.154 246 F CA 0.245 58.230 58.000 -0.025 0.000 1.446 246 F CB -0.700 38.281 39.000 -0.032 0.000 1.112 246 F HN 0.158 nan 8.300 nan 0.000 0.584 247 N N 0.909 119.665 118.700 0.094 0.000 2.714 247 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 247 N C -0.655 174.871 175.510 0.026 0.000 1.024 247 N CA -0.317 52.763 53.050 0.050 0.000 0.726 247 N CB -1.375 37.136 38.487 0.039 0.000 0.908 247 N HN 0.225 nan 8.380 nan 0.000 0.542 248 L N 0.516 121.752 121.223 0.022 0.000 2.461 248 L HA 0.080 4.419 4.340 -0.001 0.000 0.272 248 L C 2.026 178.813 176.870 -0.138 0.000 1.197 248 L CA -0.628 54.159 54.840 -0.088 0.000 0.836 248 L CB 0.293 42.307 42.059 -0.075 0.000 1.105 248 L HN 0.196 nan 8.230 nan 0.000 0.477 249 I N 0.487 120.848 120.570 -0.349 0.000 2.315 249 I HA -0.110 4.059 4.170 -0.001 0.000 0.248 249 I C 0.321 176.312 176.117 -0.210 0.000 1.117 249 I CA 1.321 62.399 61.300 -0.370 0.000 1.404 249 I CB -0.754 36.717 38.000 -0.882 0.000 1.071 249 I HN 0.812 nan 8.210 nan 0.000 0.419 250 W N -0.467 120.631 121.300 -0.337 0.000 2.982 250 W HA 0.580 5.239 4.660 -0.001 0.000 0.344 250 W C -2.004 174.392 176.519 -0.205 0.000 1.215 250 W CA -1.654 55.524 57.345 -0.279 0.000 1.182 250 W CB -0.142 28.997 29.460 -0.536 0.000 1.437 250 W HN -0.272 nan 8.180 nan 0.000 0.570 251 I N 2.317 123.077 120.570 0.317 0.000 2.389 251 I HA 0.274 4.443 4.170 -0.001 0.000 0.288 251 I C -0.251 175.997 176.117 0.220 0.000 0.999 251 I CA -0.833 60.612 61.300 0.240 0.000 1.129 251 I CB 1.742 39.869 38.000 0.213 0.000 1.288 251 I HN 0.559 nan 8.210 nan 0.000 0.444 252 E N 6.527 126.836 120.200 0.182 0.000 2.204 252 E HA 0.217 4.567 4.350 -0.001 0.000 0.276 252 E C -0.459 176.133 176.600 -0.013 0.000 0.974 252 E CA -0.380 56.030 56.400 0.017 0.000 0.815 252 E CB 0.909 30.619 29.700 0.017 0.000 1.119 252 E HN 0.511 nan 8.360 nan 0.000 0.393 253 E N 2.679 122.889 120.200 0.018 0.000 2.183 253 E HA -0.175 4.174 4.350 -0.001 0.000 0.196 253 E C -1.815 174.781 176.600 -0.006 0.000 1.364 253 E CA 0.194 56.632 56.400 0.064 0.000 0.700 253 E CB -0.499 29.179 29.700 -0.037 0.000 1.106 253 E HN 0.551 nan 8.360 nan 0.000 0.347 254 P HA -0.110 nan 4.420 nan 0.000 0.220 254 P C 0.669 177.968 177.300 -0.003 0.000 1.148 254 P CA 1.286 64.406 63.100 0.034 0.000 0.803 254 P CB 0.353 32.150 31.700 0.160 0.000 0.782 255 L N -1.791 119.346 121.223 -0.142 0.000 2.250 255 L HA 0.445 4.785 4.340 -0.001 0.000 0.252 255 L C 0.080 177.005 176.870 0.092 0.000 1.054 255 L CA -1.382 53.417 54.840 -0.068 0.000 0.856 255 L CB 0.409 42.343 42.059 -0.209 0.000 1.443 255 L HN -0.323 nan 8.230 nan 0.000 0.427 256 D N 0.288 120.744 120.400 0.093 0.000 2.571 256 D HA 0.077 4.716 4.640 -0.001 0.000 0.231 256 D C 0.976 177.365 176.300 0.149 0.000 1.133 256 D CA 0.771 54.841 54.000 0.116 0.000 0.862 256 D CB 1.395 42.266 40.800 0.120 0.000 1.179 256 D HN 0.625 nan 8.370 nan 0.000 0.474 257 A N 3.526 126.361 122.820 0.024 0.000 2.084 257 A HA -0.195 4.124 4.320 -0.001 0.000 0.221 257 A C 1.200 178.512 177.584 -0.454 0.000 1.161 257 A CA 1.215 53.104 52.037 -0.247 0.000 0.653 257 A CB -0.581 18.184 19.000 -0.391 0.000 0.802 257 A HN 0.761 nan 8.150 nan 0.000 0.457 258 Y N -1.093 119.187 120.300 -0.034 0.000 2.507 258 Y HA 0.179 4.728 4.550 -0.001 0.000 0.254 258 Y C 0.465 176.365 175.900 0.000 0.000 1.171 258 Y CA -0.669 57.402 58.100 -0.048 0.000 1.238 258 Y CB 0.420 38.852 38.460 -0.047 0.000 1.148 258 Y HN 0.192 nan 8.280 nan 0.000 0.525 259 D N 1.235 121.730 120.400 0.159 0.000 2.517 259 D HA 0.120 4.759 4.640 -0.001 0.000 0.220 259 D C 1.090 177.501 176.300 0.185 0.000 1.158 259 D CA 0.281 54.377 54.000 0.160 0.000 0.992 259 D CB -0.180 40.706 40.800 0.143 0.000 1.058 259 D HN 0.311 nan 8.370 nan 0.000 0.516 260 I N 1.475 122.095 120.570 0.085 0.000 2.142 260 I HA -0.231 3.939 4.170 -0.001 0.000 0.240 260 I C 2.088 178.243 176.117 0.065 0.000 1.078 260 I CA 0.885 62.208 61.300 0.037 0.000 1.343 260 I CB -0.035 37.960 38.000 -0.008 0.000 1.046 260 I HN 0.328 nan 8.210 nan 0.000 0.405 261 E N 0.912 121.142 120.200 0.050 0.000 2.153 261 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 261 E C 2.278 178.905 176.600 0.046 0.000 0.988 261 E CA 1.110 57.534 56.400 0.039 0.000 0.811 261 E CB -0.299 29.416 29.700 0.026 0.000 0.746 261 E HN 0.621 nan 8.360 nan 0.000 0.466 262 G N 1.073 109.905 108.800 0.052 0.000 2.433 262 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.216 262 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.216 262 G C 1.337 176.236 174.900 -0.002 0.000 1.186 262 G CA 0.716 45.824 45.100 0.013 0.000 0.779 262 G HN 0.289 nan 8.290 nan 0.000 0.543 263 H N 0.730 119.800 119.070 0.001 0.000 2.353 263 H HA -0.038 4.518 4.556 -0.001 0.000 0.300 263 H C 3.016 178.344 175.328 -0.000 0.000 1.090 263 H CA 1.254 57.301 56.048 -0.002 0.000 1.327 263 H CB -0.211 29.531 29.762 -0.033 0.000 1.383 263 H HN 0.388 nan 8.280 nan 0.000 0.508 264 A N 1.042 123.933 122.820 0.120 0.000 1.908 264 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 264 A C 2.398 180.008 177.584 0.045 0.000 1.181 264 A CA 1.981 54.055 52.037 0.062 0.000 0.627 264 A CB -0.696 18.327 19.000 0.038 0.000 0.818 264 A HN 0.502 nan 8.150 nan 0.000 0.445 265 Q N -0.468 119.352 119.800 0.034 0.000 2.050 265 Q HA -0.122 4.217 4.340 -0.001 0.000 0.202 265 Q C 2.016 178.026 176.000 0.017 0.000 0.980 265 Q CA 1.532 57.346 55.803 0.018 0.000 0.840 265 Q CB -0.242 28.500 28.738 0.008 0.000 0.898 265 Q HN 0.668 nan 8.270 nan 0.000 0.424 266 L N 0.263 121.495 121.223 0.016 0.000 2.017 266 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 266 L C 2.631 179.526 176.870 0.041 0.000 1.073 266 L CA 1.093 55.944 54.840 0.018 0.000 0.745 266 L CB -0.650 41.413 42.059 0.006 0.000 0.894 266 L HN 0.345 nan 8.230 nan 0.000 0.432 267 A N -0.101 122.754 122.820 0.059 0.000 1.908 267 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 267 A C 2.453 180.067 177.584 0.049 0.000 1.181 267 A CA 1.969 54.046 52.037 0.067 0.000 0.627 267 A CB -0.712 18.331 19.000 0.071 0.000 0.818 267 A HN 0.438 nan 8.150 nan 0.000 0.445 268 A N -0.732 122.110 122.820 0.037 0.000 1.970 268 A HA 0.344 4.663 4.320 -0.001 0.000 0.216 268 A C 2.368 179.965 177.584 0.022 0.000 1.170 268 A CA 1.593 53.647 52.037 0.027 0.000 0.645 268 A CB -0.675 18.338 19.000 0.021 0.000 0.816 268 A HN 0.979 nan 8.150 nan 0.000 0.447 269 A N -0.787 122.044 122.820 0.019 0.000 2.016 269 A HA 0.400 4.720 4.320 -0.001 0.000 0.217 269 A C 0.905 178.496 177.584 0.012 0.000 1.162 269 A CA 0.372 52.415 52.037 0.010 0.000 0.662 269 A CB -0.218 18.783 19.000 0.002 0.000 0.812 269 A HN 0.410 nan 8.150 nan 0.000 0.450 270 L N -0.777 120.460 121.223 0.024 0.000 2.331 270 L HA 0.369 4.708 4.340 -0.001 0.000 0.275 270 L C 0.192 177.086 176.870 0.041 0.000 1.022 270 L CA -0.855 54.003 54.840 0.029 0.000 0.812 270 L CB 1.336 43.418 42.059 0.038 0.000 1.257 270 L HN 0.013 nan 8.230 nan 0.000 0.435 271 D N -0.047 120.375 120.400 0.036 0.000 2.194 271 D HA -0.040 4.600 4.640 -0.001 0.000 0.204 271 D C 0.510 176.852 176.300 0.070 0.000 0.964 271 D CA 0.879 54.906 54.000 0.045 0.000 0.846 271 D CB 0.208 41.027 40.800 0.032 0.000 0.962 271 D HN 0.483 nan 8.370 nan 0.000 0.490 272 T N 2.898 117.495 114.554 0.072 0.000 2.902 272 T HA 0.145 4.494 4.350 -0.001 0.000 0.301 272 T C -2.355 172.430 174.700 0.141 0.000 1.012 272 T CA -0.918 61.241 62.100 0.100 0.000 1.151 272 T CB 1.191 70.113 68.868 0.090 0.000 0.946 272 T HN -0.065 nan 8.240 nan 0.000 0.542 273 P HA 0.193 nan 4.420 nan 0.000 0.269 273 P C -0.492 176.966 177.300 0.263 0.000 1.209 273 P CA -0.365 62.907 63.100 0.286 0.000 0.776 273 P CB 0.431 32.443 31.700 0.521 0.000 0.876 274 I N 1.701 122.406 120.570 0.226 0.000 2.460 274 I HA 0.611 4.780 4.170 -0.001 0.000 0.298 274 I C 0.266 176.452 176.117 0.116 0.000 0.989 274 I CA -0.872 60.529 61.300 0.167 0.000 1.173 274 I CB 1.121 39.212 38.000 0.152 0.000 1.338 274 I HN 0.332 nan 8.210 nan 0.000 0.456 275 A N 4.033 126.832 122.820 -0.034 0.000 2.414 275 A HA 0.868 5.187 4.320 -0.001 0.000 0.306 275 A C -0.414 177.041 177.584 -0.215 0.000 1.054 275 A CA -0.501 51.383 52.037 -0.255 0.000 0.724 275 A CB 2.149 20.585 19.000 -0.940 0.000 1.267 275 A HN 0.714 nan 8.150 nan 0.000 0.418 276 T N -0.677 113.731 114.554 -0.243 0.000 2.733 276 T HA 0.591 4.940 4.350 -0.001 0.000 0.312 276 T C 0.361 174.897 174.700 -0.273 0.000 1.590 276 T CA 0.711 62.651 62.100 -0.268 0.000 1.005 276 T CB 0.926 69.533 68.868 -0.435 0.000 1.528 276 T HN 2.479 nan 8.240 nan 0.000 0.496 277 G N 1.502 110.125 108.800 -0.296 0.000 2.367 277 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.181 277 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.181 277 G C 0.754 175.553 174.900 -0.169 0.000 1.000 277 G CA 1.202 46.127 45.100 -0.292 0.000 0.693 277 G HN 1.034 nan 8.290 nan 0.000 0.480 278 E N 0.396 120.504 120.200 -0.154 0.000 2.160 278 E HA -0.094 4.255 4.350 -0.001 0.000 0.195 278 E C 2.124 178.626 176.600 -0.163 0.000 0.991 278 E CA 1.737 58.031 56.400 -0.176 0.000 0.810 278 E CB -0.214 29.196 29.700 -0.483 0.000 0.742 278 E HN 0.422 nan 8.360 nan 0.000 0.466 279 M N 0.802 120.288 119.600 -0.189 0.000 2.541 279 M HA 0.208 4.687 4.480 -0.001 0.000 0.252 279 M C 0.605 176.839 176.300 -0.111 0.000 1.125 279 M CA 0.325 55.548 55.300 -0.128 0.000 1.091 279 M CB -0.473 32.057 32.600 -0.117 0.000 1.420 279 M HN 0.113 nan 8.290 nan 0.000 0.486 280 L N 1.329 122.424 121.223 -0.212 0.000 2.461 280 L HA 0.073 4.413 4.340 -0.001 0.000 0.272 280 L C 1.107 177.986 176.870 0.016 0.000 1.197 280 L CA 0.055 54.768 54.840 -0.212 0.000 0.836 280 L CB 0.177 41.866 42.059 -0.617 0.000 1.105 280 L HN 0.266 nan 8.230 nan 0.000 0.477 281 T N -2.162 112.428 114.554 0.061 0.000 3.355 281 T HA 0.410 4.759 4.350 -0.001 0.000 0.276 281 T C -0.065 174.706 174.700 0.119 0.000 1.003 281 T CA -0.131 62.029 62.100 0.098 0.000 0.943 281 T CB -0.131 68.781 68.868 0.073 0.000 1.158 281 T HN 0.728 nan 8.240 nan 0.000 0.513 282 S N -0.403 115.389 115.700 0.153 0.000 2.686 282 S HA 0.371 4.841 4.470 -0.001 0.000 0.273 282 S C -0.015 174.700 174.600 0.191 0.000 1.060 282 S CA -0.881 57.416 58.200 0.162 0.000 0.845 282 S CB -0.007 63.266 63.200 0.121 0.000 1.086 282 S HN 0.110 nan 8.310 nan 0.000 0.461 283 F N 2.130 122.106 119.950 0.042 0.000 2.134 283 F HA 0.091 4.617 4.527 -0.001 0.000 0.299 283 F C 2.435 178.252 175.800 0.029 0.000 1.097 283 F CA 1.589 59.593 58.000 0.007 0.000 1.264 283 F CB -0.153 38.823 39.000 -0.039 0.000 1.001 283 F HN 0.603 nan 8.300 nan 0.000 0.479 284 R N 0.830 121.347 120.500 0.027 0.000 2.091 284 R HA -0.189 4.150 4.340 -0.001 0.000 0.238 284 R C 2.073 178.284 176.300 -0.148 0.000 1.136 284 R CA 2.038 58.095 56.100 -0.071 0.000 0.959 284 R CB -0.922 29.414 30.300 0.060 0.000 0.856 284 R HN 0.501 nan 8.270 nan 0.000 0.437 285 E N -0.763 119.388 120.200 -0.082 0.000 2.072 285 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 285 E C 1.963 178.410 176.600 -0.255 0.000 0.985 285 E CA 1.101 57.436 56.400 -0.109 0.000 0.801 285 E CB -0.194 29.473 29.700 -0.055 0.000 0.750 285 E HN 0.496 nan 8.360 nan 0.000 0.452 286 H N 0.432 119.325 119.070 -0.295 0.000 2.387 286 H HA -0.091 4.464 4.556 -0.002 0.000 0.299 286 H C 2.066 177.139 175.328 -0.425 0.000 1.090 286 H CA 1.623 57.459 56.048 -0.354 0.000 1.332 286 H CB 0.099 29.645 29.762 -0.360 0.000 1.386 286 H HN 0.177 nan 8.280 nan 0.000 0.516 287 E N 0.260 120.179 120.200 -0.468 0.000 2.118 287 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 287 E C 1.768 178.191 176.600 -0.296 0.000 0.992 287 E CA 0.966 57.068 56.400 -0.497 0.000 0.804 287 E CB 0.183 29.480 29.700 -0.672 0.000 0.741 287 E HN 0.428 nan 8.360 nan 0.000 0.458 288 Q N 0.056 119.717 119.800 -0.232 0.000 2.084 288 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 288 Q C 2.328 178.228 176.000 -0.167 0.000 0.978 288 Q CA 0.909 56.619 55.803 -0.155 0.000 0.844 288 Q CB -0.204 28.473 28.738 -0.102 0.000 0.898 288 Q HN 0.309 nan 8.270 nan 0.000 0.426 289 L N 0.025 121.116 121.223 -0.220 0.000 2.072 289 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 289 L C 2.273 179.015 176.870 -0.214 0.000 1.079 289 L CA 1.135 55.839 54.840 -0.226 0.000 0.752 289 L CB -0.485 41.386 42.059 -0.314 0.000 0.906 289 L HN 0.145 nan 8.230 nan 0.000 0.436 290 I N -1.148 119.266 120.570 -0.261 0.000 2.202 290 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 290 I C 2.228 178.127 176.117 -0.363 0.000 1.091 290 I CA 1.206 62.306 61.300 -0.333 0.000 1.368 290 I CB -0.272 37.468 38.000 -0.433 0.000 1.058 290 I HN 0.183 nan 8.210 nan 0.000 0.410 291 L N 0.348 121.396 121.223 -0.293 0.000 2.191 291 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 291 L C 2.305 179.131 176.870 -0.074 0.000 1.103 291 L CA 1.217 55.967 54.840 -0.151 0.000 0.769 291 L CB -0.809 41.199 42.059 -0.085 0.000 0.908 291 L HN 0.330 nan 8.230 nan 0.000 0.438 292 G N -1.126 107.618 108.800 -0.093 0.000 2.985 292 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.209 292 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.209 292 G C 0.504 175.381 174.900 -0.037 0.000 1.165 292 G CA -0.030 45.039 45.100 -0.052 0.000 0.776 292 G HN 0.584 nan 8.290 nan 0.000 0.541 293 N N -1.176 117.493 118.700 -0.052 0.000 2.735 293 N HA -0.255 4.484 4.740 -0.001 0.000 0.248 293 N C 1.479 176.978 175.510 -0.019 0.000 1.083 293 N CA 0.137 53.174 53.050 -0.023 0.000 0.703 293 N CB -0.775 37.719 38.487 0.012 0.000 1.005 293 N HN 0.412 nan 8.380 nan 0.000 0.550 294 A N -0.242 122.546 122.820 -0.052 0.000 1.930 294 A HA 0.060 4.380 4.320 -0.001 0.000 0.217 294 A C 1.169 178.750 177.584 -0.005 0.000 1.175 294 A CA 1.781 53.799 52.037 -0.031 0.000 0.627 294 A CB 0.099 19.016 19.000 -0.139 0.000 0.815 294 A HN 0.620 nan 8.150 nan 0.000 0.443 295 S N -2.426 113.248 115.700 -0.042 0.000 2.579 295 S HA 0.451 4.920 4.470 -0.001 0.000 0.272 295 S C -0.438 174.163 174.600 0.002 0.000 1.141 295 S CA -0.393 57.804 58.200 -0.006 0.000 0.843 295 S CB 1.343 64.510 63.200 -0.056 0.000 1.122 295 S HN 0.184 nan 8.310 nan 0.000 0.468 296 D N -0.064 120.370 120.400 0.057 0.000 2.213 296 D HA 0.153 4.792 4.640 -0.001 0.000 0.205 296 D C -0.488 175.752 176.300 -0.100 0.000 0.961 296 D CA 1.245 55.255 54.000 0.017 0.000 0.853 296 D CB 0.054 40.921 40.800 0.112 0.000 0.967 296 D HN 0.419 nan 8.370 nan 0.000 0.496 297 F N 0.711 120.598 119.950 -0.106 0.000 2.482 297 F HA 0.293 4.819 4.527 -0.002 0.000 0.331 297 F C 0.081 175.737 175.800 -0.240 0.000 1.115 297 F CA -0.892 56.994 58.000 -0.190 0.000 0.955 297 F CB 2.022 40.794 39.000 -0.379 0.000 1.136 297 F HN -0.414 nan 8.300 nan 0.000 0.452 298 V N 3.528 123.401 119.914 -0.070 0.000 2.394 298 V HA 0.336 4.455 4.120 -0.001 0.000 0.282 298 V C -0.539 175.469 176.094 -0.143 0.000 1.031 298 V CA -0.679 61.548 62.300 -0.121 0.000 0.881 298 V CB 1.493 33.227 31.823 -0.149 0.000 0.982 298 V HN 0.685 nan 8.190 nan 0.000 0.451 299 Q N 5.967 125.698 119.800 -0.115 0.000 2.721 299 Q HA 0.331 4.670 4.340 -0.001 0.000 0.257 299 Q C -2.642 173.368 176.000 0.016 0.000 1.070 299 Q CA -1.685 54.069 55.803 -0.082 0.000 0.910 299 Q CB 1.559 30.228 28.738 -0.115 0.000 1.163 299 Q HN 0.514 nan 8.270 nan 0.000 0.501 300 P HA 0.089 nan 4.420 nan 0.000 0.276 300 P C -0.782 176.624 177.300 0.177 0.000 1.252 300 P CA -0.322 62.661 63.100 -0.196 0.000 0.802 300 P CB 0.864 31.970 31.700 -0.991 0.000 1.035 301 D N 0.394 121.003 120.400 0.348 0.000 2.473 301 D HA 0.312 4.952 4.640 -0.001 0.000 0.253 301 D C 0.863 177.519 176.300 0.594 0.000 1.233 301 D CA -0.589 53.745 54.000 0.557 0.000 0.908 301 D CB 1.599 42.730 40.800 0.552 0.000 1.170 301 D HN 0.237 nan 8.370 nan 0.000 0.558 302 A N 5.575 128.846 122.820 0.752 0.000 1.869 302 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 302 A C -0.717 177.003 177.584 0.226 0.000 1.203 302 A CA 1.572 53.847 52.037 0.397 0.000 0.638 302 A CB -1.401 17.578 19.000 -0.036 0.000 0.831 302 A HN 0.499 nan 8.150 nan 0.000 0.450 303 P HA -0.165 nan 4.420 nan 0.000 0.216 303 P C 1.565 178.921 177.300 0.093 0.000 1.153 303 P CA 1.461 64.619 63.100 0.097 0.000 0.858 303 P CB -0.146 31.652 31.700 0.164 0.000 0.789 304 R N -0.462 120.126 120.500 0.145 0.000 2.115 304 R HA -0.042 4.297 4.340 -0.001 0.000 0.230 304 R C 1.879 178.260 176.300 0.134 0.000 1.111 304 R CA 1.606 57.765 56.100 0.098 0.000 0.976 304 R CB -0.882 29.498 30.300 0.133 0.000 0.870 304 R HN 0.234 nan 8.270 nan 0.000 0.445 305 V N -3.654 116.374 119.914 0.191 0.000 3.649 305 V HA 0.382 4.501 4.120 -0.001 0.000 0.275 305 V C 1.044 177.254 176.094 0.193 0.000 1.281 305 V CA 0.958 63.370 62.300 0.186 0.000 1.143 305 V CB 0.481 32.408 31.823 0.173 0.000 0.892 305 V HN 0.417 nan 8.190 nan 0.000 0.441 306 G N -1.858 107.063 108.800 0.202 0.000 2.205 306 G HA2 0.376 4.335 3.960 -0.001 0.000 0.180 306 G HA3 0.376 4.335 3.960 -0.001 0.000 0.180 306 G C 0.861 175.955 174.900 0.324 0.000 1.004 306 G CA -0.043 45.224 45.100 0.278 0.000 0.670 306 G HN 2.127 nan 8.290 nan 0.000 0.496 307 G N -0.999 107.940 108.800 0.230 0.000 2.362 307 G HA2 0.149 4.108 3.960 -0.001 0.000 0.517 307 G HA3 0.149 4.108 3.960 -0.001 0.000 0.517 307 G C 0.700 175.689 174.900 0.149 0.000 1.256 307 G CA -0.068 45.147 45.100 0.192 0.000 1.027 307 G HN 0.796 nan 8.290 nan 0.000 0.491 308 I N 0.749 121.353 120.570 0.056 0.000 2.353 308 I HA -0.107 4.062 4.170 -0.001 0.000 0.248 308 I C 2.935 179.008 176.117 -0.072 0.000 1.119 308 I CA 1.861 63.070 61.300 -0.152 0.000 1.417 308 I CB -0.385 37.274 38.000 -0.569 0.000 1.078 308 I HN 0.491 nan 8.210 nan 0.000 0.421 309 S N 1.338 117.122 115.700 0.140 0.000 2.353 309 S HA -0.111 4.358 4.470 -0.001 0.000 0.222 309 S C -0.339 174.266 174.600 0.009 0.000 1.035 309 S CA 1.813 60.112 58.200 0.165 0.000 1.025 309 S CB -1.386 61.937 63.200 0.204 0.000 0.902 309 S HN 0.395 nan 8.310 nan 0.000 0.440 310 P HA -0.021 nan 4.420 nan 0.000 0.220 310 P C 1.309 178.655 177.300 0.076 0.000 1.152 310 P CA 0.785 63.876 63.100 -0.014 0.000 0.812 310 P CB -0.121 31.587 31.700 0.014 0.000 0.792 311 F N 1.086 121.018 119.950 -0.030 0.000 2.161 311 F HA -0.155 4.371 4.527 -0.002 0.000 0.300 311 F C 2.265 178.036 175.800 -0.049 0.000 1.089 311 F CA 1.300 59.271 58.000 -0.048 0.000 1.282 311 F CB -0.682 38.293 39.000 -0.043 0.000 1.010 311 F HN -0.296 nan 8.300 nan 0.000 0.485 312 L N -0.048 121.281 121.223 0.178 0.000 2.083 312 L HA -0.247 4.092 4.340 -0.001 0.000 0.209 312 L C 2.350 179.246 176.870 0.043 0.000 1.083 312 L CA 1.515 56.411 54.840 0.093 0.000 0.752 312 L CB -0.649 41.405 42.059 -0.008 0.000 0.899 312 L HN 0.091 nan 8.230 nan 0.000 0.433 313 K N 0.197 120.598 120.400 0.001 0.000 2.057 313 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 313 K C 2.065 178.770 176.600 0.175 0.000 1.050 313 K CA 1.190 57.458 56.287 -0.030 0.000 0.935 313 K CB -0.132 32.165 32.500 -0.337 0.000 0.715 313 K HN 0.232 nan 8.250 nan 0.000 0.439 314 I N 0.893 121.557 120.570 0.157 0.000 2.226 314 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 314 I C 2.579 178.642 176.117 -0.091 0.000 1.100 314 I CA 1.230 62.526 61.300 -0.006 0.000 1.374 314 I CB -0.198 37.554 38.000 -0.413 0.000 1.057 314 I HN 0.207 nan 8.210 nan 0.000 0.413 315 M N 0.486 120.016 119.600 -0.116 0.000 2.065 315 M HA -0.268 4.211 4.480 -0.001 0.000 0.259 315 M C 1.836 178.261 176.300 0.208 0.000 1.069 315 M CA 2.014 57.354 55.300 0.067 0.000 1.110 315 M CB -0.352 32.362 32.600 0.189 0.000 1.328 315 M HN 0.190 nan 8.290 nan 0.000 0.405 316 D N 0.202 120.679 120.400 0.129 0.000 2.117 316 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 316 D C 1.725 178.096 176.300 0.119 0.000 0.987 316 D CA 1.050 55.108 54.000 0.097 0.000 0.829 316 D CB -0.423 40.416 40.800 0.066 0.000 0.961 316 D HN 0.236 nan 8.370 nan 0.000 0.460 317 L N 0.892 122.209 121.223 0.156 0.000 2.017 317 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 317 L C 2.130 179.112 176.870 0.185 0.000 1.073 317 L CA 1.796 56.748 54.840 0.186 0.000 0.745 317 L CB -0.873 41.290 42.059 0.172 0.000 0.894 317 L HN -0.008 nan 8.230 nan 0.000 0.432 318 A N -0.452 122.432 122.820 0.107 0.000 1.908 318 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 318 A C 2.447 180.146 177.584 0.191 0.000 1.181 318 A CA 2.056 54.157 52.037 0.106 0.000 0.627 318 A CB -1.227 17.801 19.000 0.046 0.000 0.818 318 A HN 0.598 nan 8.150 nan 0.000 0.445 319 A N -0.321 122.614 122.820 0.190 0.000 1.877 319 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 319 A C 2.131 179.719 177.584 0.006 0.000 1.186 319 A CA 2.003 54.050 52.037 0.017 0.000 0.620 319 A CB -0.493 18.389 19.000 -0.196 0.000 0.822 319 A HN 0.555 nan 8.150 nan 0.000 0.443 320 K N -1.156 119.271 120.400 0.046 0.000 2.152 320 K HA -0.223 4.096 4.320 -0.001 0.000 0.206 320 K C 1.246 177.797 176.600 -0.082 0.000 1.048 320 K CA 1.749 58.029 56.287 -0.012 0.000 0.933 320 K CB -0.225 32.286 32.500 0.018 0.000 0.721 320 K HN 0.645 nan 8.250 nan 0.000 0.447 321 H N -1.270 117.793 119.070 -0.012 0.000 2.533 321 H HA 0.190 4.745 4.556 -0.002 0.000 0.271 321 H C 0.775 176.088 175.328 -0.025 0.000 1.000 321 H CA 0.679 56.717 56.048 -0.018 0.000 1.149 321 H CB 0.653 30.403 29.762 -0.020 0.000 1.375 321 H HN 0.495 nan 8.280 nan 0.000 0.582 322 G N 0.999 109.824 108.800 0.041 0.000 2.179 322 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.257 322 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.257 322 G C 0.161 175.064 174.900 0.005 0.000 1.010 322 G CA -0.117 44.985 45.100 0.003 0.000 0.736 322 G HN 0.175 nan 8.290 nan 0.000 0.513 323 R N -0.260 120.264 120.500 0.040 0.000 2.528 323 R HA 0.567 4.906 4.340 -0.001 0.000 0.271 323 R C 0.589 176.877 176.300 -0.020 0.000 1.056 323 R CA -0.618 55.465 56.100 -0.028 0.000 1.117 323 R CB 0.558 30.842 30.300 -0.028 0.000 1.085 323 R HN 0.117 nan 8.270 nan 0.000 0.530 324 K N 1.051 121.300 120.400 -0.253 0.000 2.098 324 K HA 0.369 4.688 4.320 -0.001 0.000 0.257 324 K C -0.183 176.271 176.600 -0.243 0.000 0.999 324 K CA -0.956 55.157 56.287 -0.291 0.000 0.924 324 K CB 0.896 32.844 32.500 -0.921 0.000 1.028 324 K HN 0.277 nan 8.250 nan 0.000 0.466 325 L N 0.593 121.669 121.223 -0.245 0.000 2.341 325 L HA 0.510 4.849 4.340 -0.001 0.000 0.278 325 L C -1.117 175.780 176.870 0.044 0.000 1.005 325 L CA -0.086 54.546 54.840 -0.346 0.000 0.818 325 L CB 1.678 43.116 42.059 -1.034 0.000 1.259 325 L HN 0.704 nan 8.230 nan 0.000 0.418 326 A N 5.911 128.769 122.820 0.063 0.000 2.855 326 A HA 0.676 4.995 4.320 -0.001 0.000 0.313 326 A C -2.747 174.881 177.584 0.073 0.000 1.173 326 A CA -1.166 50.973 52.037 0.170 0.000 0.753 326 A CB 0.079 19.056 19.000 -0.037 0.000 1.200 326 A HN 0.499 nan 8.150 nan 0.000 0.442 327 P HA 0.021 nan 4.420 nan 0.000 0.267 327 P C -0.334 177.003 177.300 0.062 0.000 1.200 327 P CA 0.335 63.395 63.100 -0.066 0.000 0.772 327 P CB 0.299 31.790 31.700 -0.349 0.000 0.855 328 H N 4.680 123.760 119.070 0.015 0.000 2.527 328 H HA 0.229 4.784 4.556 -0.002 0.000 0.321 328 H C 0.465 176.054 175.328 0.435 0.000 1.087 328 H CA -0.386 55.803 56.048 0.236 0.000 1.337 328 H CB 0.076 29.974 29.762 0.226 0.000 1.440 328 H HN 0.311 nan 8.280 nan 0.000 0.490 329 F N 2.959 122.677 119.950 -0.387 0.000 2.120 329 F HA -0.398 4.128 4.527 -0.002 0.000 0.303 329 F C 0.877 176.657 175.800 -0.033 0.000 0.129 329 F CA 1.928 59.664 58.000 -0.440 0.000 0.873 329 F CB -1.279 37.115 39.000 -1.010 0.000 3.943 329 F HN 0.921 nan 8.300 nan 0.000 0.241 330 A N 0.856 123.059 122.820 -1.027 0.000 2.352 330 A HA -0.241 4.078 4.320 -0.001 0.000 0.286 330 A C 1.463 178.785 177.584 -0.438 0.000 1.415 330 A CA 1.859 53.420 52.037 -0.793 0.000 0.784 330 A CB -1.935 16.680 19.000 -0.642 0.000 1.065 330 A HN 1.412 nan 8.150 nan 0.000 0.378 331 M N -1.968 117.483 119.600 -0.250 0.000 2.267 331 M HA -0.184 4.295 4.480 -0.001 0.000 0.263 331 M C 1.264 177.509 176.300 -0.093 0.000 1.063 331 M CA 2.291 57.546 55.300 -0.075 0.000 1.090 331 M CB -0.657 31.939 32.600 -0.005 0.000 1.392 331 M HN 0.404 nan 8.290 nan 0.000 0.422 332 E N 1.182 121.275 120.200 -0.179 0.000 2.209 332 E HA -0.087 4.262 4.350 -0.001 0.000 0.196 332 E C 2.021 178.636 176.600 0.025 0.000 0.993 332 E CA 1.293 57.598 56.400 -0.158 0.000 0.819 332 E CB -0.271 29.014 29.700 -0.691 0.000 0.745 332 E HN 0.501 nan 8.360 nan 0.000 0.477 333 V N -0.341 119.458 119.914 -0.191 0.000 2.806 333 V HA -0.059 4.061 4.120 -0.001 0.000 0.239 333 V C 1.631 177.602 176.094 -0.204 0.000 1.113 333 V CA 0.702 62.865 62.300 -0.227 0.000 1.137 333 V CB -0.319 31.186 31.823 -0.529 0.000 0.865 333 V HN 0.269 nan 8.190 nan 0.000 0.482 334 H N 0.182 119.144 119.070 -0.180 0.000 2.489 334 H HA -0.053 4.503 4.556 -0.001 0.000 0.293 334 H C 2.102 177.363 175.328 -0.113 0.000 1.066 334 H CA 1.390 57.316 56.048 -0.204 0.000 1.305 334 H CB -0.184 29.501 29.762 -0.128 0.000 1.386 334 H HN 0.302 nan 8.280 nan 0.000 0.551 335 L N 0.780 122.003 121.223 0.001 0.000 2.042 335 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 335 L C 2.227 179.011 176.870 -0.144 0.000 1.076 335 L CA 1.820 56.607 54.840 -0.087 0.000 0.749 335 L CB -0.606 41.351 42.059 -0.169 0.000 0.893 335 L HN 0.254 nan 8.230 nan 0.000 0.432 336 H N -0.700 118.360 119.070 -0.017 0.000 2.363 336 H HA -0.024 4.531 4.556 -0.001 0.000 0.301 336 H C 2.319 177.622 175.328 -0.043 0.000 1.074 336 H CA 1.889 57.916 56.048 -0.033 0.000 1.354 336 H CB -0.093 29.636 29.762 -0.056 0.000 1.397 336 H HN 0.371 nan 8.280 nan 0.000 0.516 337 L N 0.745 121.987 121.223 0.031 0.000 2.027 337 L HA -0.148 4.191 4.340 -0.001 0.000 0.206 337 L C 2.771 179.709 176.870 0.112 0.000 1.074 337 L CA 1.452 56.289 54.840 -0.004 0.000 0.745 337 L CB -0.504 41.407 42.059 -0.247 0.000 0.898 337 L HN 0.273 nan 8.230 nan 0.000 0.433 338 S N 0.206 115.963 115.700 0.095 0.000 2.423 338 S HA -0.115 4.354 4.470 -0.001 0.000 0.231 338 S C 2.118 176.795 174.600 0.128 0.000 1.014 338 S CA 0.757 59.032 58.200 0.125 0.000 0.965 338 S CB -0.418 62.833 63.200 0.086 0.000 0.785 338 S HN 0.341 nan 8.310 nan 0.000 0.495 339 A N 1.494 124.359 122.820 0.074 0.000 2.015 339 A HA 0.434 4.753 4.320 -0.001 0.000 0.219 339 A C 2.284 179.943 177.584 0.126 0.000 1.163 339 A CA 1.322 53.394 52.037 0.059 0.000 0.646 339 A CB -0.982 18.024 19.000 0.010 0.000 0.806 339 A HN 0.858 nan 8.150 nan 0.000 0.448 340 A N -2.304 120.610 122.820 0.156 0.000 2.238 340 A HA 0.318 4.638 4.320 -0.001 0.000 0.210 340 A C 0.630 178.396 177.584 0.303 0.000 1.179 340 A CA -0.219 51.934 52.037 0.192 0.000 0.827 340 A CB -0.341 18.730 19.000 0.118 0.000 0.856 340 A HN 0.454 nan 8.150 nan 0.000 0.488 341 Y N 1.514 121.890 120.300 0.126 0.000 2.359 341 Y HA 0.243 4.792 4.550 -0.002 0.000 0.330 341 Y C -1.192 174.666 175.900 -0.069 0.000 1.143 341 Y CA -1.863 56.272 58.100 0.058 0.000 1.318 341 Y CB 1.016 39.504 38.460 0.046 0.000 1.234 341 Y HN 0.092 nan 8.280 nan 0.000 0.522 342 P HA -0.144 nan 4.420 nan 0.000 0.216 342 P C -0.230 176.765 177.300 -0.509 0.000 1.153 342 P CA 1.386 63.981 63.100 -0.842 0.000 0.848 342 P CB 0.519 31.801 31.700 -0.697 0.000 0.787 343 L N -0.083 120.925 121.223 -0.359 0.000 2.379 343 L HA 0.315 4.654 4.340 -0.001 0.000 0.269 343 L C 0.802 177.736 176.870 0.106 0.000 1.084 343 L CA -1.094 53.706 54.840 -0.066 0.000 0.802 343 L CB 0.221 42.293 42.059 0.022 0.000 1.175 343 L HN -0.172 nan 8.230 nan 0.000 0.448 344 E N 4.209 124.430 120.200 0.036 0.000 2.498 344 E HA 0.044 4.393 4.350 -0.001 0.000 0.252 344 E C -2.247 174.395 176.600 0.071 0.000 1.025 344 E CA -0.765 55.643 56.400 0.013 0.000 0.938 344 E CB 0.314 29.990 29.700 -0.041 0.000 0.947 344 E HN 0.181 nan 8.360 nan 0.000 0.478 345 P HA 0.379 nan 4.420 nan 0.000 0.304 345 P C -1.102 176.228 177.300 0.051 0.000 1.310 345 P CA -0.773 62.405 63.100 0.130 0.000 0.796 345 P CB 0.739 32.503 31.700 0.106 0.000 1.297 346 W N -0.648 120.814 121.300 0.270 0.000 2.915 346 W HA 0.530 5.189 4.660 -0.002 0.000 0.337 346 W C -0.907 175.781 176.519 0.281 0.000 1.102 346 W CA -0.544 57.001 57.345 0.334 0.000 1.224 346 W CB 1.949 31.753 29.460 0.572 0.000 1.416 346 W HN 0.127 nan 8.180 nan 0.000 0.503 347 L N 2.753 124.255 121.223 0.467 0.000 2.329 347 L HA 0.474 4.813 4.340 -0.001 0.000 0.279 347 L C -0.234 176.668 176.870 0.053 0.000 1.014 347 L CA -0.621 54.364 54.840 0.241 0.000 0.814 347 L CB 1.592 43.725 42.059 0.123 0.000 1.257 347 L HN 0.452 nan 8.230 nan 0.000 0.424 348 E N 3.795 123.948 120.200 -0.079 0.000 2.174 348 E HA 0.171 4.521 4.350 -0.001 0.000 0.282 348 E C -1.284 175.219 176.600 -0.162 0.000 0.992 348 E CA -0.543 55.565 56.400 -0.486 0.000 0.803 348 E CB 0.570 30.196 29.700 -0.123 0.000 1.090 348 E HN 0.661 nan 8.360 nan 0.000 0.396 349 H N 5.276 124.122 119.070 -0.374 0.000 2.467 349 H HA 0.340 4.895 4.556 -0.001 0.000 0.326 349 H C -1.627 173.545 175.328 -0.260 0.000 1.094 349 H CA -0.381 55.572 56.048 -0.160 0.000 1.253 349 H CB 0.412 30.104 29.762 -0.117 0.000 1.439 349 H HN 0.465 nan 8.280 nan 0.000 0.479 350 F N 2.769 122.234 119.950 -0.807 0.000 2.578 350 F HA 0.118 4.644 4.527 -0.001 0.000 0.311 350 F C 1.093 176.469 175.800 -0.706 0.000 1.094 350 F CA -0.756 56.822 58.000 -0.702 0.000 0.923 350 F CB 2.004 40.614 39.000 -0.650 0.000 1.230 350 F HN 0.590 nan 8.300 nan 0.000 0.450 351 E N 1.202 121.326 120.200 -0.126 0.000 2.479 351 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 351 E C 0.872 177.662 176.600 0.316 0.000 1.049 351 E CA 0.251 56.715 56.400 0.106 0.000 0.870 351 E CB -0.079 29.779 29.700 0.262 0.000 0.944 351 E HN 0.663 nan 8.360 nan 0.000 0.492 352 W N 1.806 123.185 121.300 0.132 0.000 2.304 352 W HA -0.116 4.543 4.660 -0.002 0.000 0.315 352 W C 2.108 178.643 176.519 0.026 0.000 1.233 352 W CA 0.837 58.238 57.345 0.094 0.000 1.261 352 W CB -0.944 28.589 29.460 0.122 0.000 1.150 352 W HN 0.100 nan 8.180 nan 0.000 0.494 353 L N 0.282 121.644 121.223 0.233 0.000 2.509 353 L HA -0.048 4.291 4.340 -0.001 0.000 0.222 353 L C 1.933 178.776 176.870 -0.046 0.000 1.123 353 L CA 0.240 55.085 54.840 0.009 0.000 0.856 353 L CB -0.852 41.162 42.059 -0.074 0.000 0.985 353 L HN -0.051 nan 8.230 nan 0.000 0.456 354 N N 1.179 119.935 118.700 0.093 0.000 2.069 354 N HA -0.192 4.547 4.740 -0.001 0.000 0.196 354 N C -0.735 174.801 175.510 0.044 0.000 1.024 354 N CA 1.664 54.790 53.050 0.127 0.000 0.869 354 N CB -1.686 36.899 38.487 0.163 0.000 1.035 354 N HN 0.270 nan 8.380 nan 0.000 0.434 355 P HA -0.037 nan 4.420 nan 0.000 0.221 355 P C 1.341 178.553 177.300 -0.147 0.000 1.145 355 P CA 0.717 63.825 63.100 0.013 0.000 0.795 355 P CB -0.038 31.783 31.700 0.202 0.000 0.775 356 L N -3.208 117.794 121.223 -0.369 0.000 2.313 356 L HA 0.014 4.353 4.340 -0.001 0.000 0.214 356 L C 0.569 176.972 176.870 -0.778 0.000 1.119 356 L CA 0.571 54.995 54.840 -0.694 0.000 0.809 356 L CB -0.374 40.987 42.059 -1.164 0.000 0.933 356 L HN -0.079 nan 8.230 nan 0.000 0.449 357 F N -1.723 118.215 119.950 -0.020 0.000 2.575 357 F HA 0.300 4.826 4.527 -0.002 0.000 0.330 357 F C 1.054 176.904 175.800 0.083 0.000 1.056 357 F CA -1.115 56.914 58.000 0.048 0.000 0.964 357 F CB 0.735 39.776 39.000 0.069 0.000 1.258 357 F HN -0.282 nan 8.300 nan 0.000 0.484 358 N N -0.697 118.192 118.700 0.314 0.000 2.415 358 N HA 0.027 4.766 4.740 -0.001 0.000 0.176 358 N C -0.699 174.937 175.510 0.210 0.000 1.042 358 N CA 0.299 53.465 53.050 0.193 0.000 0.902 358 N CB 0.226 38.797 38.487 0.140 0.000 0.986 358 N HN 0.526 nan 8.380 nan 0.000 0.447 359 E N 0.540 120.925 120.200 0.308 0.000 2.202 359 E HA 0.305 4.654 4.350 -0.001 0.000 0.272 359 E C -0.642 176.173 176.600 0.359 0.000 0.951 359 E CA -0.517 56.037 56.400 0.257 0.000 0.813 359 E CB 1.115 30.904 29.700 0.148 0.000 1.151 359 E HN -0.057 nan 8.360 nan 0.000 0.398 360 Q N 1.164 121.116 119.800 0.253 0.000 2.345 360 Q HA 0.469 4.808 4.340 -0.001 0.000 0.268 360 Q C -0.535 175.608 176.000 0.238 0.000 1.054 360 Q CA -0.668 55.298 55.803 0.272 0.000 0.835 360 Q CB 1.893 30.749 28.738 0.196 0.000 1.339 360 Q HN 0.510 nan 8.270 nan 0.000 0.447 361 L N 1.004 122.391 121.223 0.274 0.000 2.395 361 L HA 0.258 4.597 4.340 -0.001 0.000 0.269 361 L C 0.783 177.763 176.870 0.183 0.000 1.133 361 L CA -0.305 54.668 54.840 0.223 0.000 0.812 361 L CB 0.595 42.806 42.059 0.252 0.000 1.125 361 L HN 0.576 nan 8.230 nan 0.000 0.452 362 E N 3.111 123.414 120.200 0.172 0.000 2.194 362 E HA 0.247 4.596 4.350 -0.001 0.000 0.284 362 E C -1.337 175.409 176.600 0.244 0.000 1.035 362 E CA -0.787 55.710 56.400 0.161 0.000 0.836 362 E CB 1.269 31.028 29.700 0.098 0.000 1.070 362 E HN 0.311 nan 8.360 nan 0.000 0.401 363 L N 5.958 127.292 121.223 0.186 0.000 2.298 363 L HA 0.484 4.823 4.340 -0.001 0.000 0.284 363 L C -1.023 175.957 176.870 0.183 0.000 1.013 363 L CA -0.211 54.746 54.840 0.194 0.000 0.824 363 L CB 1.025 43.142 42.059 0.097 0.000 1.221 363 L HN 0.630 nan 8.230 nan 0.000 0.418 364 R N 3.566 124.241 120.500 0.292 0.000 2.566 364 R HA 0.304 4.643 4.340 -0.001 0.000 0.271 364 R C -0.760 175.726 176.300 0.311 0.000 1.071 364 R CA -0.412 55.821 56.100 0.223 0.000 0.915 364 R CB 1.139 31.478 30.300 0.065 0.000 1.228 364 R HN 0.651 nan 8.270 nan 0.000 0.449 365 D N 2.633 123.149 120.400 0.194 0.000 2.772 365 D HA -0.164 4.476 4.640 -0.001 0.000 0.233 365 D C 0.688 177.087 176.300 0.166 0.000 1.143 365 D CA 2.474 56.584 54.000 0.183 0.000 0.700 365 D CB -0.978 39.951 40.800 0.216 0.000 1.076 365 D HN 1.068 nan 8.370 nan 0.000 0.430 366 G N -0.704 108.187 108.800 0.152 0.000 2.184 366 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.264 366 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.264 366 G C 0.399 175.325 174.900 0.043 0.000 0.975 366 G CA 0.634 45.798 45.100 0.107 0.000 0.642 366 G HN 0.680 nan 8.290 nan 0.000 0.536 367 R N -1.361 119.175 120.500 0.060 0.000 2.795 367 R HA 0.746 5.085 4.340 -0.001 0.000 0.275 367 R C -0.722 175.557 176.300 -0.035 0.000 0.981 367 R CA -1.164 54.876 56.100 -0.099 0.000 0.917 367 R CB 1.340 31.434 30.300 -0.342 0.000 1.202 367 R HN 0.133 nan 8.270 nan 0.000 0.469 368 M N 1.637 121.164 119.600 -0.122 0.000 2.180 368 M HA 0.332 4.811 4.480 -0.001 0.000 0.350 368 M C -1.699 174.517 176.300 -0.141 0.000 1.125 368 M CA -0.575 54.733 55.300 0.013 0.000 1.031 368 M CB 0.788 33.409 32.600 0.036 0.000 1.623 368 M HN 0.422 nan 8.290 nan 0.000 0.451 369 W N 5.547 126.846 121.300 -0.002 0.000 2.438 369 W HA 0.552 5.211 4.660 -0.002 0.000 0.324 369 W C -0.541 175.956 176.519 -0.037 0.000 1.119 369 W CA -0.407 56.929 57.345 -0.016 0.000 1.221 369 W CB 0.363 29.819 29.460 -0.005 0.000 1.253 369 W HN 0.465 nan 8.180 nan 0.000 0.555 370 I N 3.531 124.168 120.570 0.113 0.000 2.396 370 I HA 0.059 4.229 4.170 -0.001 0.000 0.289 370 I C 1.032 177.206 176.117 0.095 0.000 1.056 370 I CA -0.227 61.086 61.300 0.022 0.000 1.365 370 I CB 0.263 38.257 38.000 -0.011 0.000 1.407 370 I HN 0.441 nan 8.210 nan 0.000 0.509 371 S N 3.683 119.412 115.700 0.048 0.000 2.641 371 S HA 0.083 4.552 4.470 -0.001 0.000 0.261 371 S C 0.778 175.412 174.600 0.057 0.000 1.257 371 S CA -0.441 57.784 58.200 0.042 0.000 0.983 371 S CB 1.002 64.188 63.200 -0.025 0.000 0.990 371 S HN 0.741 nan 8.310 nan 0.000 0.572 372 D N -0.882 119.544 120.400 0.043 0.000 2.340 372 D HA -0.008 4.631 4.640 -0.001 0.000 0.220 372 D C 0.341 176.686 176.300 0.075 0.000 1.039 372 D CA -0.104 53.938 54.000 0.071 0.000 0.866 372 D CB -0.336 40.496 40.800 0.054 0.000 0.913 372 D HN 0.425 nan 8.370 nan 0.000 0.523 373 R N 0.537 121.038 120.500 0.002 0.000 2.623 373 R HA 0.163 4.503 4.340 -0.001 0.000 0.271 373 R C 0.194 176.543 176.300 0.081 0.000 1.043 373 R CA -0.074 55.991 56.100 -0.060 0.000 1.083 373 R CB 0.332 30.552 30.300 -0.132 0.000 0.974 373 R HN 0.363 nan 8.270 nan 0.000 0.436 374 H N 0.328 119.384 119.070 -0.023 0.000 2.690 374 H HA 0.163 4.718 4.556 -0.002 0.000 0.365 374 H C 1.326 176.628 175.328 -0.044 0.000 1.142 374 H CA 0.032 56.071 56.048 -0.015 0.000 1.417 374 H CB 0.862 30.634 29.762 0.016 0.000 1.446 374 H HN 0.857 nan 8.280 nan 0.000 0.599 375 G N 0.900 109.734 108.800 0.056 0.000 2.574 375 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.286 375 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.286 375 G C 0.892 175.673 174.900 -0.199 0.000 1.212 375 G CA 0.335 45.411 45.100 -0.041 0.000 0.979 375 G HN 0.563 nan 8.290 nan 0.000 0.557 376 L N 1.778 122.929 121.223 -0.120 0.000 2.275 376 L HA 0.273 4.612 4.340 -0.001 0.000 0.215 376 L C 2.451 179.266 176.870 -0.092 0.000 1.119 376 L CA 1.373 56.176 54.840 -0.061 0.000 0.790 376 L CB -0.664 41.496 42.059 0.169 0.000 0.919 376 L HN 2.154 nan 8.230 nan 0.000 0.443 377 G N -0.400 108.282 108.800 -0.195 0.000 2.149 377 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.235 377 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.235 377 G C -0.219 174.208 174.900 -0.788 0.000 1.018 377 G CA -0.307 44.531 45.100 -0.437 0.000 0.728 377 G HN 0.181 nan 8.290 nan 0.000 0.508 378 F N -0.038 119.896 119.950 -0.027 0.000 2.588 378 F HA 0.757 5.283 4.527 -0.002 0.000 0.310 378 F C 0.429 176.266 175.800 0.062 0.000 1.082 378 F CA -0.240 57.726 58.000 -0.057 0.000 0.929 378 F CB 2.277 41.038 39.000 -0.399 0.000 1.254 378 F HN 0.295 nan 8.300 nan 0.000 0.455 379 T N -0.126 114.632 114.554 0.341 0.000 2.893 379 T HA 0.733 5.082 4.350 -0.001 0.000 0.291 379 T C -0.729 174.179 174.700 0.346 0.000 1.028 379 T CA -0.915 61.350 62.100 0.276 0.000 0.995 379 T CB 1.278 70.251 68.868 0.174 0.000 1.051 379 T HN 0.524 nan 8.240 nan 0.000 0.470 380 L N 3.190 124.576 121.223 0.271 0.000 2.453 380 L HA 0.363 4.702 4.340 -0.001 0.000 0.272 380 L C 1.318 178.249 176.870 0.102 0.000 1.182 380 L CA -0.556 54.401 54.840 0.196 0.000 0.858 380 L CB 0.688 42.833 42.059 0.144 0.000 1.120 380 L HN 0.992 nan 8.230 nan 0.000 0.474 381 S N 0.852 116.564 115.700 0.021 0.000 2.645 381 S HA 0.110 4.579 4.470 -0.001 0.000 0.266 381 S C 0.769 175.326 174.600 -0.073 0.000 1.258 381 S CA -0.593 57.590 58.200 -0.028 0.000 0.990 381 S CB 1.648 64.797 63.200 -0.085 0.000 0.967 381 S HN 0.658 nan 8.310 nan 0.000 0.556 382 E N 0.381 120.529 120.200 -0.088 0.000 2.150 382 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 382 E C 1.948 178.427 176.600 -0.201 0.000 0.985 382 E CA 1.396 57.732 56.400 -0.107 0.000 0.814 382 E CB -0.410 29.234 29.700 -0.093 0.000 0.752 382 E HN 0.741 nan 8.360 nan 0.000 0.466 383 Q N 0.034 119.652 119.800 -0.303 0.000 2.124 383 Q HA 0.003 4.342 4.340 -0.001 0.000 0.202 383 Q C 1.929 177.592 176.000 -0.563 0.000 0.977 383 Q CA 1.907 57.357 55.803 -0.589 0.000 0.850 383 Q CB -0.634 27.651 28.738 -0.756 0.000 0.901 383 Q HN 0.323 nan 8.270 nan 0.000 0.429 384 A N 0.298 122.948 122.820 -0.283 0.000 1.933 384 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 384 A C 1.967 179.531 177.584 -0.034 0.000 1.175 384 A CA 1.398 53.378 52.037 -0.095 0.000 0.628 384 A CB -0.381 18.555 19.000 -0.108 0.000 0.814 384 A HN 0.239 nan 8.150 nan 0.000 0.444 385 R N -0.307 120.152 120.500 -0.068 0.000 2.073 385 R HA 0.003 4.342 4.340 -0.001 0.000 0.229 385 R C 2.164 178.447 176.300 -0.027 0.000 1.120 385 R CA 1.268 57.354 56.100 -0.023 0.000 0.967 385 R CB -0.702 29.586 30.300 -0.021 0.000 0.862 385 R HN 0.561 nan 8.270 nan 0.000 0.436 386 R N -0.521 119.911 120.500 -0.114 0.000 2.120 386 R HA -0.112 4.227 4.340 -0.001 0.000 0.234 386 R C 1.613 177.929 176.300 0.027 0.000 1.123 386 R CA 1.022 57.055 56.100 -0.111 0.000 0.975 386 R CB -0.064 30.079 30.300 -0.261 0.000 0.866 386 R HN 0.263 nan 8.270 nan 0.000 0.446 387 W N 0.807 122.091 121.300 -0.027 0.000 3.180 387 W HA 0.113 4.772 4.660 -0.001 0.000 0.254 387 W C 0.113 176.632 176.519 -0.000 0.000 1.318 387 W CA 0.039 57.376 57.345 -0.014 0.000 1.608 387 W CB -0.409 29.029 29.460 -0.037 0.000 1.124 387 W HN -0.174 nan 8.180 nan 0.000 0.694 388 T N 1.335 115.995 114.554 0.177 0.000 2.814 388 T HA 0.072 4.422 4.350 -0.001 0.000 0.297 388 T C 1.178 175.926 174.700 0.081 0.000 0.956 388 T CA 0.332 62.487 62.100 0.091 0.000 1.123 388 T CB 1.564 70.461 68.868 0.049 0.000 0.902 388 T HN 0.115 nan 8.240 nan 0.000 0.528 389 Q N 2.083 121.924 119.800 0.068 0.000 2.394 389 Q HA 0.324 4.663 4.340 -0.001 0.000 0.218 389 Q C 0.009 175.999 176.000 -0.017 0.000 0.907 389 Q CA 0.535 56.373 55.803 0.058 0.000 0.919 389 Q CB 0.458 29.279 28.738 0.138 0.000 1.051 389 Q HN 0.541 nan 8.270 nan 0.000 0.538 390 L N -0.496 120.652 121.223 -0.124 0.000 2.409 390 L HA 0.604 4.944 4.340 -0.001 0.000 0.262 390 L C -0.617 176.154 176.870 -0.164 0.000 0.992 390 L CA -0.635 54.093 54.840 -0.187 0.000 0.817 390 L CB 2.587 44.399 42.059 -0.411 0.000 1.350 390 L HN -0.213 nan 8.230 nan 0.000 0.411 391 T N 0.667 115.247 114.554 0.043 0.000 2.840 391 T HA 0.705 5.054 4.350 -0.001 0.000 0.317 391 T C -1.646 173.155 174.700 0.167 0.000 1.401 391 T CA -0.436 61.750 62.100 0.144 0.000 1.028 391 T CB 1.324 70.241 68.868 0.082 0.000 1.317 391 T HN 0.917 nan 8.240 nan 0.000 0.495 392 C N 1.729 121.102 119.300 0.122 0.000 3.239 392 C HA 0.930 5.389 4.460 -0.001 0.000 0.317 392 C C -1.136 173.714 174.990 -0.233 0.000 1.310 392 C CA -0.847 58.124 59.018 -0.077 0.000 1.371 392 C CB 1.042 28.711 27.740 -0.118 0.000 1.714 392 C HN 1.000 nan 8.230 nan 0.000 0.473 393 E N -0.007 119.914 120.200 -0.464 0.000 2.343 393 E HA 0.767 5.116 4.350 -0.001 0.000 0.270 393 E C -1.774 174.343 176.600 -0.804 0.000 0.895 393 E CA -0.356 55.763 56.400 -0.468 0.000 0.767 393 E CB 2.403 32.059 29.700 -0.072 0.000 1.248 393 E HN 0.610 nan 8.360 nan 0.000 0.440 394 F N 0.377 120.216 119.950 -0.184 0.000 2.556 394 F HA 0.604 5.130 4.527 -0.002 0.000 0.314 394 F C 0.821 176.623 175.800 0.003 0.000 1.106 394 F CA -0.113 57.838 58.000 -0.083 0.000 0.911 394 F CB 2.143 41.072 39.000 -0.118 0.000 1.190 394 F HN 0.725 nan 8.300 nan 0.000 0.448 395 G N 2.368 111.310 108.800 0.237 0.000 2.542 395 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.235 395 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.235 395 G C -1.199 173.895 174.900 0.324 0.000 1.286 395 G CA -0.407 44.843 45.100 0.251 0.000 0.904 395 G HN 0.849 nan 8.290 nan 0.000 0.577 396 K N 0.120 120.713 120.400 0.321 0.000 2.501 396 K HA 0.523 4.843 4.320 -0.001 0.000 0.252 396 K C 0.246 176.888 176.600 0.070 0.000 0.934 396 K CA -0.847 55.562 56.287 0.204 0.000 0.797 396 K CB 1.251 33.805 32.500 0.091 0.000 1.270 396 K HN 0.678 nan 8.250 nan 0.000 0.431 397 R N 3.496 123.826 120.500 -0.284 0.000 2.504 397 R HA 0.039 4.378 4.340 -0.001 0.000 0.291 397 R C -2.001 174.180 176.300 -0.199 0.000 0.974 397 R CA -0.928 54.864 56.100 -0.512 0.000 1.077 397 R CB -0.192 29.672 30.300 -0.726 0.000 0.926 397 R HN 0.445 nan 8.270 nan 0.000 0.407 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.066 63.100 -0.057 0.000 0.800 398 P CB 0.000 31.689 31.700 -0.018 0.000 0.726