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 1lnq_1_C DATA FIRST_RESID 19 DATA SEQUENCE PATRILLLVL AVIIYGTAGF HFIEGESWTV SLYWTFVTIA TVGYGDYSPS DATA SEQUENCE TPLGMYFTVT LIVLGIGTFA VAVERLLEFL XXXXXXXXXX XXXXXXXRHV DATA SEQUENCE VICGWSESTL ECLRELRGSE VFVLAEDENV RKKVLRSGAN FVHGDPTRVS DATA SEQUENCE DLEKANVRGA RAVIVDLESD SETIHCILGI RKIDESVRII AEAERYENIE DATA SEQUENCE QLRMAGADQV ISPFVISGRL MSRSIDDGYE AMFVQDVLAE ESTRRMVEVP DATA SEQUENCE IPEGSKLEGV SVLDADIHDV TGVIIIGVGR GDELIIDPPR DYSFRAGDII DATA SEQUENCE LGIGKPEEIE RLKNYISA 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 19 P HA 0.000 nan 4.420 nan 0.000 0.216 19 P C 0.000 177.298 177.300 -0.003 0.000 1.155 19 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 19 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 20 A N -1.091 121.727 122.820 -0.003 0.000 2.072 20 A HA 0.433 4.753 4.320 -0.000 0.000 0.216 20 A C 2.055 179.637 177.584 -0.003 0.000 1.156 20 A CA 2.796 54.831 52.037 -0.004 0.000 0.701 20 A CB -0.610 18.387 19.000 -0.004 0.000 0.816 20 A HN 1.004 nan 8.150 nan 0.000 0.458 21 T N -2.244 112.308 114.554 -0.003 0.000 3.069 21 T HA 0.405 4.755 4.350 -0.000 0.000 0.252 21 T C 1.698 176.397 174.700 -0.003 0.000 1.053 21 T CA 1.018 63.116 62.100 -0.003 0.000 0.964 21 T CB -0.294 68.572 68.868 -0.003 0.000 1.005 21 T HN 0.476 nan 8.240 nan 0.000 0.532 22 R N 0.355 120.854 120.500 -0.002 0.000 2.290 22 R HA 0.696 5.036 4.340 -0.000 0.000 0.197 22 R C 2.251 178.550 176.300 -0.002 0.000 0.913 22 R CA 0.993 57.092 56.100 -0.002 0.000 1.040 22 R CB -1.290 29.009 30.300 -0.002 0.000 0.992 22 R HN 0.798 nan 8.270 nan 0.000 0.500 23 I N -0.658 119.910 120.570 -0.002 0.000 3.226 23 I HA 0.503 4.673 4.170 -0.000 0.000 0.277 23 I C 2.574 178.690 176.117 -0.002 0.000 1.243 23 I CA 1.226 62.525 61.300 -0.002 0.000 1.459 23 I CB -0.755 37.243 38.000 -0.002 0.000 1.093 23 I HN 0.469 nan 8.210 nan 0.000 0.453 24 L N -0.620 120.602 121.223 -0.002 0.000 2.599 24 L HA 0.608 4.948 4.340 -0.000 0.000 0.230 24 L C 2.439 179.308 176.870 -0.002 0.000 1.141 24 L CA 1.616 56.455 54.840 -0.002 0.000 0.877 24 L CB -1.679 40.378 42.059 -0.002 0.000 1.009 24 L HN 0.952 nan 8.230 nan 0.000 0.447 25 L N -2.672 118.550 121.223 -0.002 0.000 2.515 25 L HA 0.579 4.919 4.340 -0.000 0.000 0.223 25 L C 2.687 179.557 176.870 -0.001 0.000 1.079 25 L CA 1.671 56.511 54.840 -0.002 0.000 0.857 25 L CB -0.994 41.064 42.059 -0.001 0.000 1.050 25 L HN 0.697 nan 8.230 nan 0.000 0.476 26 L N -1.014 120.208 121.223 -0.001 0.000 2.209 26 L HA 0.510 4.850 4.340 -0.000 0.000 0.207 26 L C 2.690 179.559 176.870 -0.001 0.000 1.094 26 L CA 1.927 56.766 54.840 -0.001 0.000 0.790 26 L CB -1.361 40.697 42.059 -0.001 0.000 0.932 26 L HN 0.690 nan 8.230 nan 0.000 0.447 27 V N -1.311 118.602 119.914 -0.001 0.000 3.461 27 V HA 0.396 4.515 4.120 -0.000 0.000 0.267 27 V C 2.375 178.468 176.094 -0.001 0.000 1.186 27 V CA 2.002 64.302 62.300 -0.001 0.000 1.154 27 V CB -0.503 31.319 31.823 -0.001 0.000 0.802 27 V HN 0.817 nan 8.190 nan 0.000 0.474 28 L N -1.925 119.298 121.223 -0.001 0.000 2.515 28 L HA 0.743 5.083 4.340 -0.000 0.000 0.223 28 L C 2.381 179.250 176.870 -0.001 0.000 1.079 28 L CA 1.718 56.558 54.840 -0.001 0.000 0.857 28 L CB -0.832 41.226 42.059 -0.001 0.000 1.050 28 L HN 0.564 nan 8.230 nan 0.000 0.476 29 A N -0.687 122.132 122.820 -0.001 0.000 2.081 29 A HA 0.414 4.733 4.320 -0.000 0.000 0.214 29 A C 2.291 179.875 177.584 -0.001 0.000 1.158 29 A CA 1.386 53.423 52.037 -0.001 0.000 0.724 29 A CB -0.573 18.426 19.000 -0.001 0.000 0.826 29 A HN 1.208 nan 8.150 nan 0.000 0.463 30 V N -0.413 119.500 119.914 -0.001 0.000 2.809 30 V HA 0.082 4.201 4.120 -0.000 0.000 0.256 30 V C 2.466 178.560 176.094 -0.001 0.000 1.080 30 V CA 2.225 64.524 62.300 -0.001 0.000 1.102 30 V CB -1.036 30.786 31.823 -0.001 0.000 0.705 30 V HN 0.574 nan 8.190 nan 0.000 0.475 31 I N -0.688 119.881 120.570 -0.001 0.000 2.876 31 I HA 0.318 4.488 4.170 -0.000 0.000 0.264 31 I C 2.333 178.449 176.117 -0.001 0.000 1.204 31 I CA 1.833 63.132 61.300 -0.001 0.000 1.485 31 I CB -0.723 37.276 38.000 -0.001 0.000 1.103 31 I HN 0.569 nan 8.210 nan 0.000 0.446 32 I N -1.419 119.151 120.570 -0.001 0.000 3.860 32 I HA 0.425 4.594 4.170 -0.000 0.000 0.319 32 I C 2.227 178.344 176.117 -0.001 0.000 1.279 32 I CA 1.320 62.620 61.300 -0.001 0.000 1.220 32 I CB -1.685 36.314 38.000 -0.001 0.000 1.027 32 I HN 0.805 nan 8.210 nan 0.000 0.428 33 Y N -0.673 119.627 120.300 -0.001 0.000 2.535 33 Y HA 0.500 5.050 4.550 -0.000 0.000 0.264 33 Y C 2.336 178.235 175.900 -0.001 0.000 1.087 33 Y CA 0.971 59.071 58.100 -0.001 0.000 1.285 33 Y CB -0.195 38.264 38.460 -0.001 0.000 1.200 33 Y HN 0.389 nan 8.280 nan 0.000 0.514 34 G N -0.756 108.044 108.800 -0.001 0.000 2.510 34 G HA2 0.186 4.146 3.960 -0.000 0.000 0.212 34 G HA3 0.186 4.146 3.960 -0.000 0.000 0.212 34 G C 1.584 176.483 174.900 -0.001 0.000 1.151 34 G CA 1.565 46.664 45.100 -0.001 0.000 0.817 34 G HN 0.711 nan 8.290 nan 0.000 0.534 35 T N 0.526 115.079 114.554 -0.001 0.000 3.081 35 T HA 0.570 4.920 4.350 -0.000 0.000 0.255 35 T C 2.262 176.962 174.700 -0.001 0.000 1.113 35 T CA 1.459 63.559 62.100 -0.001 0.000 1.082 35 T CB -0.090 68.778 68.868 -0.001 0.000 0.939 35 T HN 0.308 nan 8.240 nan 0.000 0.506 36 A N 1.230 124.050 122.820 -0.001 0.000 1.929 36 A HA 0.368 4.687 4.320 -0.000 0.000 0.216 36 A C 2.638 180.221 177.584 -0.000 0.000 1.176 36 A CA 1.534 53.571 52.037 -0.001 0.000 0.628 36 A CB -0.867 18.133 19.000 -0.001 0.000 0.816 36 A HN 0.503 nan 8.150 nan 0.000 0.444 37 G N -2.272 106.528 108.800 -0.000 0.000 2.848 37 G HA2 0.178 4.138 3.960 -0.000 0.000 0.208 37 G HA3 0.178 4.138 3.960 -0.000 0.000 0.208 37 G C 1.200 176.100 174.900 -0.000 0.000 1.152 37 G CA 1.132 46.232 45.100 -0.000 0.000 0.789 37 G HN 0.622 nan 8.290 nan 0.000 0.531 38 F N 0.009 119.959 119.950 -0.000 0.000 2.149 38 F HA 0.163 4.690 4.527 -0.000 0.000 0.294 38 F C 2.509 178.309 175.800 -0.000 0.000 1.095 38 F CA 1.812 59.812 58.000 -0.000 0.000 1.276 38 F CB -1.132 37.868 39.000 -0.000 0.000 1.023 38 F HN 0.544 nan 8.300 nan 0.000 0.480 39 H N -2.253 116.817 119.070 -0.000 0.000 2.547 39 H HA 0.406 4.962 4.556 -0.000 0.000 0.266 39 H C 1.921 177.248 175.328 -0.000 0.000 0.988 39 H CA 1.372 57.419 56.048 -0.000 0.000 1.147 39 H CB -1.365 28.396 29.762 -0.000 0.000 1.365 39 H HN 1.012 nan 8.280 nan 0.000 0.589 40 F N -0.074 119.876 119.950 -0.000 0.000 2.557 40 F HA 0.503 5.030 4.527 -0.000 0.000 0.278 40 F C 2.148 177.948 175.800 -0.000 0.000 1.051 40 F CA 0.586 58.586 58.000 -0.000 0.000 1.357 40 F CB -0.157 38.843 39.000 -0.000 0.000 1.104 40 F HN 0.575 nan 8.300 nan 0.000 0.654 41 I N 1.014 121.584 120.570 -0.000 0.000 3.731 41 I HA 0.705 4.875 4.170 -0.000 0.000 0.341 41 I C -0.054 176.063 176.117 -0.000 0.000 1.532 41 I CA 0.759 62.059 61.300 -0.000 0.000 1.163 41 I CB -1.209 36.791 38.000 -0.000 0.000 1.339 41 I HN 1.012 nan 8.210 nan 0.000 0.449 42 E N -0.613 119.587 120.200 -0.000 0.000 2.094 42 E HA 0.663 5.013 4.350 -0.000 0.000 0.237 42 E C 0.587 177.187 176.600 -0.000 0.000 1.460 42 E CA -0.261 56.139 56.400 -0.000 0.000 0.965 42 E CB -0.417 29.283 29.700 -0.000 0.000 1.641 42 E HN 1.699 nan 8.360 nan 0.000 0.532 43 G N 0.676 109.476 108.800 -0.000 0.000 2.346 43 G HA2 0.553 4.513 3.960 -0.000 0.000 0.275 43 G HA3 0.553 4.513 3.960 -0.000 0.000 0.275 43 G C 0.559 175.459 174.900 -0.000 0.000 1.190 43 G CA 0.990 46.089 45.100 -0.000 0.000 1.015 43 G HN 1.330 nan 8.290 nan 0.000 0.441 44 E N 0.611 120.810 120.200 -0.000 0.000 2.708 44 E HA 0.416 4.766 4.350 -0.000 0.000 0.260 44 E C 0.663 177.263 176.600 -0.000 0.000 0.937 44 E CA 0.735 57.135 56.400 -0.000 0.000 0.953 44 E CB -0.176 29.524 29.700 -0.000 0.000 0.915 44 E HN 2.067 nan 8.360 nan 0.000 0.487 45 S N -0.811 114.888 115.700 -0.000 0.000 2.930 45 S HA 0.399 4.869 4.470 -0.000 0.000 0.138 45 S C 0.692 175.292 174.600 -0.000 0.000 0.769 45 S CA 0.428 58.628 58.200 -0.000 0.000 0.888 45 S CB -1.223 61.977 63.200 -0.000 0.000 1.618 45 S HN 1.905 nan 8.310 nan 0.000 0.551 46 W N 0.907 122.207 121.300 -0.000 0.000 2.721 46 W HA 0.350 5.010 4.660 -0.000 0.000 0.245 46 W C 1.615 178.134 176.519 -0.000 0.000 1.276 46 W CA 1.729 59.074 57.345 -0.000 0.000 1.342 46 W CB -1.173 28.287 29.460 -0.000 0.000 1.135 46 W HN 1.161 nan 8.180 nan 0.000 0.654 47 T N -0.386 114.168 114.554 -0.000 0.000 2.837 47 T HA 0.342 4.692 4.350 -0.000 0.000 0.248 47 T C 1.762 176.461 174.700 -0.000 0.000 1.033 47 T CA 2.390 64.489 62.100 -0.000 0.000 1.150 47 T CB -0.662 68.206 68.868 -0.000 0.000 0.865 47 T HN 1.072 nan 8.240 nan 0.000 0.425 48 V N 1.220 121.134 119.914 -0.000 0.000 3.164 48 V HA 0.758 4.878 4.120 -0.000 0.000 0.388 48 V C 2.076 178.170 176.094 -0.000 0.000 1.279 48 V CA 0.967 63.267 62.300 -0.000 0.000 1.426 48 V CB -1.231 30.591 31.823 -0.000 0.000 1.330 48 V HN 0.681 nan 8.190 nan 0.000 0.511 49 S N 0.283 115.983 115.700 -0.000 0.000 2.387 49 S HA 0.213 4.683 4.470 -0.000 0.000 0.221 49 S C 2.016 176.616 174.600 -0.001 0.000 1.041 49 S CA 1.652 59.852 58.200 -0.000 0.000 0.959 49 S CB -0.284 62.916 63.200 -0.001 0.000 0.843 49 S HN 1.451 nan 8.310 nan 0.000 0.488 50 L N 0.344 121.566 121.223 -0.001 0.000 2.201 50 L HA 0.195 4.535 4.340 -0.000 0.000 0.212 50 L C 2.886 179.756 176.870 -0.001 0.000 1.105 50 L CA 2.322 57.161 54.840 -0.001 0.000 0.775 50 L CB -2.626 39.433 42.059 -0.001 0.000 0.913 50 L HN 0.846 nan 8.230 nan 0.000 0.440 51 Y N -2.921 117.379 120.300 -0.001 0.000 2.333 51 Y HA -0.015 4.535 4.550 -0.000 0.000 0.290 51 Y C 2.612 178.512 175.900 -0.001 0.000 1.144 51 Y CA 2.755 60.855 58.100 -0.001 0.000 1.228 51 Y CB -1.426 37.034 38.460 -0.000 0.000 0.985 51 Y HN 0.841 nan 8.280 nan 0.000 0.542 52 W N 0.045 121.345 121.300 -0.001 0.000 2.481 52 W HA 0.168 4.828 4.660 -0.000 0.000 0.293 52 W C 2.687 179.205 176.519 -0.001 0.000 1.201 52 W CA 2.437 59.781 57.345 -0.001 0.000 1.328 52 W CB -1.128 28.332 29.460 -0.000 0.000 1.112 52 W HN 0.611 nan 8.180 nan 0.000 0.546 53 T N -0.111 114.443 114.554 -0.001 0.000 2.701 53 T HA 0.065 4.415 4.350 -0.000 0.000 0.263 53 T C 2.246 176.946 174.700 -0.001 0.000 1.040 53 T CA 3.821 65.921 62.100 -0.001 0.000 1.147 53 T CB -1.177 67.691 68.868 -0.001 0.000 0.865 53 T HN 1.071 nan 8.240 nan 0.000 0.426 54 F N 1.486 121.435 119.950 -0.001 0.000 2.134 54 F HA 0.279 4.806 4.527 -0.000 0.000 0.299 54 F C 3.166 178.966 175.800 -0.001 0.000 1.097 54 F CA 2.161 60.160 58.000 -0.001 0.000 1.264 54 F CB -1.336 37.663 39.000 -0.001 0.000 1.001 54 F HN 0.437 nan 8.300 nan 0.000 0.479 55 V N 0.351 120.264 119.914 -0.001 0.000 2.343 55 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 55 V C 2.537 178.631 176.094 -0.001 0.000 1.051 55 V CA 4.111 66.410 62.300 -0.001 0.000 1.036 55 V CB -1.800 30.022 31.823 -0.001 0.000 0.654 55 V HN 0.699 nan 8.190 nan 0.000 0.451 56 T N -0.414 114.139 114.554 -0.001 0.000 2.770 56 T HA 0.090 4.440 4.350 -0.000 0.000 0.263 56 T C 2.305 177.004 174.700 -0.001 0.000 1.039 56 T CA 3.265 65.365 62.100 -0.001 0.000 1.142 56 T CB -0.609 68.258 68.868 -0.001 0.000 0.868 56 T HN 1.154 nan 8.240 nan 0.000 0.435 57 I N 1.463 122.033 120.570 -0.001 0.000 2.454 57 I HA 0.514 4.684 4.170 -0.000 0.000 0.254 57 I C 2.702 178.818 176.117 -0.001 0.000 1.156 57 I CA 1.871 63.171 61.300 -0.001 0.000 1.433 57 I CB -1.688 36.311 38.000 -0.001 0.000 1.082 57 I HN 0.602 nan 8.210 nan 0.000 0.432 58 A N 0.300 123.119 122.820 -0.001 0.000 2.310 58 A HA 0.411 4.731 4.320 -0.000 0.000 0.230 58 A C 1.727 179.311 177.584 -0.001 0.000 1.294 58 A CA 1.261 53.297 52.037 -0.001 0.000 0.898 58 A CB -1.905 17.095 19.000 -0.001 0.000 0.917 58 A HN 2.196 nan 8.150 nan 0.000 0.491 59 T N -2.728 111.825 114.554 -0.001 0.000 3.830 59 T HA -0.152 4.198 4.350 -0.000 0.000 0.351 59 T C 1.592 176.291 174.700 -0.001 0.000 0.758 59 T CA 1.883 63.983 62.100 -0.001 0.000 1.857 59 T CB -2.329 66.538 68.868 -0.001 0.000 1.864 59 T HN 1.431 nan 8.240 nan 0.000 0.772 60 V N 0.011 119.925 119.914 -0.001 0.000 2.278 60 V HA 0.534 4.654 4.120 -0.000 0.000 0.238 60 V C 2.998 179.092 176.094 -0.000 0.000 1.039 60 V CA 1.998 64.298 62.300 -0.001 0.000 1.017 60 V CB -0.900 30.923 31.823 -0.001 0.000 0.657 60 V HN 2.359 nan 8.190 nan 0.000 0.462 61 G N -2.440 106.360 108.800 -0.000 0.000 2.272 61 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.280 61 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.280 61 G C 0.660 175.560 174.900 -0.000 0.000 1.067 61 G CA 1.265 46.365 45.100 -0.000 0.000 0.902 61 G HN 2.092 nan 8.290 nan 0.000 0.500 62 Y N -1.206 119.093 120.300 -0.000 0.000 2.081 62 Y HA 0.244 4.794 4.550 -0.000 0.000 0.280 62 Y C 3.083 178.983 175.900 -0.000 0.000 1.163 62 Y CA 2.395 60.494 58.100 -0.000 0.000 1.135 62 Y CB -0.213 38.247 38.460 -0.000 0.000 0.970 62 Y HN 2.245 nan 8.280 nan 0.000 0.498 63 G N -2.844 105.955 108.800 -0.000 0.000 2.174 63 G HA2 0.190 4.150 3.960 -0.000 0.000 0.140 63 G HA3 0.190 4.150 3.960 -0.000 0.000 0.140 63 G C 0.350 175.249 174.900 -0.000 0.000 1.031 63 G CA 0.867 45.967 45.100 -0.000 0.000 0.728 63 G HN 1.381 nan 8.290 nan 0.000 0.496 64 D N -1.033 119.367 120.400 -0.000 0.000 2.363 64 D HA 0.584 5.224 4.640 -0.000 0.000 0.226 64 D C 0.842 177.142 176.300 -0.000 0.000 1.020 64 D CA 1.591 55.590 54.000 -0.000 0.000 0.892 64 D CB -0.541 40.259 40.800 -0.000 0.000 0.900 64 D HN 2.112 nan 8.370 nan 0.000 0.531 65 Y N -2.757 117.543 120.300 -0.000 0.000 2.105 65 Y HA 0.582 5.132 4.550 -0.000 0.000 0.312 65 Y C 1.100 177.000 175.900 -0.000 0.000 1.205 65 Y CA -0.112 57.988 58.100 -0.000 0.000 1.583 65 Y CB 0.226 38.686 38.460 -0.000 0.000 1.301 65 Y HN 0.490 nan 8.280 nan 0.000 0.376 66 S N 2.044 117.744 115.700 -0.000 0.000 2.660 66 S HA 0.473 4.943 4.470 -0.000 0.000 0.228 66 S C 0.296 174.896 174.600 -0.000 0.000 0.966 66 S CA 0.332 58.532 58.200 -0.000 0.000 0.940 66 S CB -1.417 61.783 63.200 -0.000 0.000 0.773 66 S HN 2.499 nan 8.310 nan 0.000 0.535 67 P HA 0.137 nan 4.420 nan 0.000 0.014 67 P C 0.064 177.364 177.300 -0.000 0.000 0.563 67 P CA 1.235 64.335 63.100 -0.000 0.000 1.035 67 P CB -2.300 29.400 31.700 -0.000 0.000 1.909 68 S N -0.134 115.566 115.700 -0.000 0.000 2.439 68 S HA 0.827 5.297 4.470 -0.000 0.000 0.282 68 S C 1.201 175.801 174.600 -0.000 0.000 1.170 68 S CA 1.162 59.362 58.200 -0.000 0.000 1.054 68 S CB 0.504 63.704 63.200 -0.000 0.000 0.956 68 S HN 1.603 nan 8.310 nan 0.000 0.490 69 T N 0.731 115.285 114.554 -0.000 0.000 3.862 69 T HA 0.629 4.979 4.350 -0.000 0.000 0.296 69 T C -0.179 174.520 174.700 -0.000 0.000 0.900 69 T CA 1.558 63.658 62.100 -0.000 0.000 0.776 69 T CB -1.362 67.506 68.868 -0.000 0.000 1.186 69 T HN 1.559 nan 8.240 nan 0.000 0.832 70 P HA -0.138 nan 4.420 nan 0.000 0.223 70 P C 1.749 179.048 177.300 -0.000 0.000 0.505 70 P CA 3.831 66.931 63.100 -0.000 0.000 1.089 70 P CB -1.729 29.971 31.700 -0.000 0.000 0.496 71 L N -1.528 119.695 121.223 -0.000 0.000 2.179 71 L HA 0.538 4.878 4.340 -0.000 0.000 0.208 71 L C 2.876 179.746 176.870 -0.000 0.000 1.096 71 L CA 3.033 57.873 54.840 -0.000 0.000 0.779 71 L CB -1.774 40.285 42.059 -0.000 0.000 0.922 71 L HN 0.840 nan 8.230 nan 0.000 0.443 72 G N -2.027 106.773 108.800 -0.000 0.000 2.712 72 G HA2 0.224 4.184 3.960 -0.000 0.000 0.212 72 G HA3 0.224 4.184 3.960 -0.000 0.000 0.212 72 G C 1.542 176.442 174.900 -0.000 0.000 1.142 72 G CA 1.529 46.629 45.100 -0.000 0.000 0.789 72 G HN 0.854 nan 8.290 nan 0.000 0.535 73 M N -0.309 119.291 119.600 -0.000 0.000 2.506 73 M HA 0.391 4.871 4.480 -0.000 0.000 0.260 73 M C 2.521 178.821 176.300 -0.000 0.000 1.104 73 M CA 1.544 56.844 55.300 -0.000 0.000 1.112 73 M CB -1.730 30.869 32.600 -0.000 0.000 1.401 73 M HN 0.586 nan 8.290 nan 0.000 0.473 74 Y N -2.027 118.272 120.300 -0.000 0.000 2.365 74 Y HA 0.295 4.844 4.550 -0.000 0.000 0.293 74 Y C 2.434 178.333 175.900 -0.000 0.000 1.119 74 Y CA 1.744 59.844 58.100 -0.000 0.000 1.203 74 Y CB -1.282 37.177 38.460 -0.000 0.000 1.026 74 Y HN 0.851 nan 8.280 nan 0.000 0.549 75 F N 0.302 120.252 119.950 -0.000 0.000 2.569 75 F HA 0.257 4.784 4.527 -0.000 0.000 0.295 75 F C 2.477 178.277 175.800 -0.000 0.000 1.115 75 F CA 1.868 59.868 58.000 -0.000 0.000 1.450 75 F CB -1.363 37.637 39.000 -0.000 0.000 1.107 75 F HN 0.459 nan 8.300 nan 0.000 0.563 76 T N -0.728 113.825 114.554 -0.000 0.000 3.023 76 T HA 0.276 4.626 4.350 -0.000 0.000 0.266 76 T C 2.173 176.873 174.700 -0.000 0.000 1.093 76 T CA 1.828 63.927 62.100 -0.000 0.000 1.129 76 T CB -0.904 67.963 68.868 -0.000 0.000 0.899 76 T HN 0.940 nan 8.240 nan 0.000 0.491 77 V N 1.020 120.933 119.914 -0.000 0.000 2.719 77 V HA 0.299 4.419 4.120 -0.000 0.000 0.252 77 V C 2.832 178.926 176.094 -0.001 0.000 1.065 77 V CA 2.462 64.762 62.300 -0.000 0.000 1.086 77 V CB -1.587 30.236 31.823 -0.000 0.000 0.700 77 V HN 0.549 nan 8.190 nan 0.000 0.467 78 T N -0.584 113.970 114.554 -0.001 0.000 2.867 78 T HA 0.161 4.511 4.350 -0.000 0.000 0.268 78 T C 2.044 176.744 174.700 -0.001 0.000 1.057 78 T CA 2.790 64.889 62.100 -0.001 0.000 1.136 78 T CB -0.568 68.300 68.868 -0.001 0.000 0.874 78 T HN 1.125 nan 8.240 nan 0.000 0.466 79 L N 0.473 121.696 121.223 -0.001 0.000 2.478 79 L HA 0.588 4.928 4.340 -0.000 0.000 0.223 79 L C 2.985 179.855 176.870 -0.001 0.000 1.140 79 L CA 1.700 56.539 54.840 -0.001 0.000 0.842 79 L CB -1.799 40.260 42.059 -0.001 0.000 0.953 79 L HN 0.725 nan 8.230 nan 0.000 0.452 80 I N -1.897 118.673 120.570 -0.001 0.000 2.731 80 I HA 0.396 4.566 4.170 -0.000 0.000 0.260 80 I C 2.622 178.738 176.117 -0.001 0.000 1.138 80 I CA 1.764 63.063 61.300 -0.001 0.000 1.461 80 I CB -0.863 37.136 38.000 -0.001 0.000 1.128 80 I HN 0.435 nan 8.210 nan 0.000 0.438 81 V N 0.660 120.573 119.914 -0.001 0.000 2.283 81 V HA 0.121 4.241 4.120 -0.000 0.000 0.243 81 V C 2.615 178.708 176.094 -0.001 0.000 1.039 81 V CA 2.950 65.250 62.300 -0.001 0.000 1.016 81 V CB -1.115 30.707 31.823 -0.001 0.000 0.650 81 V HN 1.151 nan 8.190 nan 0.000 0.449 82 L N 0.588 121.811 121.223 -0.001 0.000 2.660 82 L HA 0.604 4.944 4.340 -0.000 0.000 0.238 82 L C 2.147 179.016 176.870 -0.001 0.000 1.161 82 L CA 1.345 56.184 54.840 -0.001 0.000 0.937 82 L CB -1.685 40.374 42.059 -0.001 0.000 1.122 82 L HN 0.565 nan 8.230 nan 0.000 0.435 83 G N -1.025 107.774 108.800 -0.001 0.000 2.511 83 G HA2 0.182 4.142 3.960 -0.000 0.000 0.217 83 G HA3 0.182 4.142 3.960 -0.000 0.000 0.217 83 G C 1.297 176.196 174.900 -0.001 0.000 1.133 83 G CA 1.532 46.631 45.100 -0.001 0.000 0.792 83 G HN 0.955 nan 8.290 nan 0.000 0.539 84 I N 0.379 120.948 120.570 -0.001 0.000 3.854 84 I HA 0.541 4.711 4.170 -0.000 0.000 0.312 84 I C 2.380 178.496 176.117 -0.001 0.000 1.273 84 I CA 1.034 62.334 61.300 -0.001 0.000 1.298 84 I CB -0.613 37.386 38.000 -0.001 0.000 1.071 84 I HN 0.171 nan 8.210 nan 0.000 0.428 85 G N -0.050 108.750 108.800 -0.001 0.000 3.155 85 G HA2 0.372 4.331 3.960 -0.000 0.000 0.213 85 G HA3 0.372 4.331 3.960 -0.000 0.000 0.213 85 G C 0.904 175.803 174.900 -0.001 0.000 1.196 85 G CA 1.327 46.426 45.100 -0.001 0.000 0.846 85 G HN 0.936 nan 8.290 nan 0.000 0.516 86 T N -3.411 111.143 114.554 -0.001 0.000 3.123 86 T HA 0.389 4.739 4.350 -0.000 0.000 0.259 86 T C 1.660 176.359 174.700 -0.001 0.000 0.871 86 T CA 0.950 63.050 62.100 -0.001 0.000 0.857 86 T CB -0.220 68.647 68.868 -0.001 0.000 1.267 86 T HN 0.330 nan 8.240 nan 0.000 0.556 87 F N 1.493 121.442 119.950 -0.001 0.000 2.317 87 F HA 0.702 5.228 4.527 -0.000 0.000 0.290 87 F C 2.649 178.448 175.800 -0.002 0.000 1.075 87 F CA 0.994 58.993 58.000 -0.001 0.000 1.380 87 F CB -0.849 38.151 39.000 -0.001 0.000 1.093 87 F HN 0.451 nan 8.300 nan 0.000 0.524 88 A N -0.226 122.593 122.820 -0.002 0.000 2.238 88 A HA 0.450 4.770 4.320 -0.000 0.000 0.208 88 A C 1.972 179.555 177.584 -0.002 0.000 1.177 88 A CA 1.378 53.414 52.037 -0.002 0.000 0.804 88 A CB -1.133 17.866 19.000 -0.002 0.000 0.823 88 A HN 1.185 nan 8.150 nan 0.000 0.482 89 V N -1.352 118.561 119.914 -0.002 0.000 2.484 89 V HA 0.384 4.504 4.120 -0.000 0.000 0.236 89 V C 2.468 178.560 176.094 -0.002 0.000 1.062 89 V CA 1.369 63.667 62.300 -0.002 0.000 1.081 89 V CB -1.316 30.506 31.823 -0.002 0.000 0.751 89 V HN 0.423 nan 8.190 nan 0.000 0.484 90 A N -0.127 122.691 122.820 -0.002 0.000 2.259 90 A HA 0.286 4.606 4.320 -0.000 0.000 0.212 90 A C 2.053 179.636 177.584 -0.002 0.000 1.178 90 A CA 2.083 54.119 52.037 -0.002 0.000 0.734 90 A CB -1.105 17.894 19.000 -0.002 0.000 0.774 90 A HN 1.341 nan 8.150 nan 0.000 0.481 91 V N -1.204 118.709 119.914 -0.002 0.000 2.331 91 V HA 0.095 4.215 4.120 -0.000 0.000 0.242 91 V C 2.320 178.412 176.094 -0.003 0.000 1.034 91 V CA 2.338 64.637 62.300 -0.002 0.000 1.027 91 V CB -1.219 30.602 31.823 -0.002 0.000 0.667 91 V HN 0.540 nan 8.190 nan 0.000 0.457 92 E N 0.557 120.755 120.200 -0.003 0.000 2.482 92 E HA 0.114 4.464 4.350 -0.000 0.000 0.196 92 E C 2.133 178.731 176.600 -0.004 0.000 1.047 92 E CA 1.381 57.778 56.400 -0.004 0.000 0.869 92 E CB -0.766 28.931 29.700 -0.005 0.000 0.836 92 E HN 0.894 nan 8.360 nan 0.000 0.520 93 R N -0.763 119.735 120.500 -0.004 0.000 2.237 93 R HA 0.614 4.954 4.340 -0.000 0.000 0.195 93 R C 2.528 178.826 176.300 -0.003 0.000 0.956 93 R CA 1.128 57.226 56.100 -0.003 0.000 1.029 93 R CB -1.125 29.173 30.300 -0.003 0.000 0.972 93 R HN 0.918 nan 8.270 nan 0.000 0.493 94 L N -0.680 120.541 121.223 -0.003 0.000 2.375 94 L HA 0.622 4.962 4.340 -0.000 0.000 0.215 94 L C 2.689 179.558 176.870 -0.002 0.000 1.108 94 L CA 1.521 56.359 54.840 -0.002 0.000 0.830 94 L CB -1.006 41.052 42.059 -0.002 0.000 0.959 94 L HN 0.619 nan 8.230 nan 0.000 0.457 95 L N -1.402 119.820 121.223 -0.003 0.000 2.640 95 L HA 0.683 5.023 4.340 -0.000 0.000 0.230 95 L C 1.959 178.827 176.870 -0.004 0.000 1.123 95 L CA 1.404 56.243 54.840 -0.003 0.000 0.900 95 L CB -1.306 40.751 42.059 -0.003 0.000 1.146 95 L HN 0.722 nan 8.230 nan 0.000 0.484 96 E N -1.932 118.265 120.200 -0.005 0.000 2.465 96 E HA 0.519 4.869 4.350 -0.000 0.000 0.195 96 E C 1.123 177.720 176.600 -0.005 0.000 1.028 96 E CA 1.057 57.453 56.400 -0.006 0.000 0.899 96 E CB -0.773 28.923 29.700 -0.006 0.000 1.032 96 E HN 1.567 nan 8.360 nan 0.000 0.468 97 F N -1.705 118.243 119.950 -0.004 0.000 2.665 97 F HA 0.678 5.205 4.527 -0.000 0.000 0.328 97 F C 0.795 176.594 175.800 -0.003 0.000 0.848 97 F CA 0.574 58.572 58.000 -0.004 0.000 1.071 97 F CB 0.471 39.469 39.000 -0.003 0.000 0.906 97 F HN 0.887 nan 8.300 nan 0.000 0.654 117 H N -2.566 116.541 119.070 0.061 0.000 2.797 117 H HA 0.751 5.307 4.556 -0.000 0.000 0.372 117 H C -0.882 174.510 175.328 0.106 0.000 1.168 117 H CA -1.278 54.841 56.048 0.119 0.000 1.163 117 H CB 2.160 32.028 29.762 0.176 0.000 1.778 117 H HN -0.120 nan 8.280 nan 0.000 0.551 118 V N 2.992 122.913 119.914 0.013 0.000 2.459 118 V HA 0.256 4.376 4.120 -0.000 0.000 0.295 118 V C -0.276 175.752 176.094 -0.111 0.000 1.029 118 V CA -0.874 61.380 62.300 -0.077 0.000 0.874 118 V CB 1.445 33.280 31.823 0.019 0.000 0.985 118 V HN 0.602 nan 8.190 nan 0.000 0.438 119 V N 6.164 125.979 119.914 -0.166 0.000 2.435 119 V HA 0.487 4.607 4.120 -0.000 0.000 0.290 119 V C -0.161 175.934 176.094 0.001 0.000 1.030 119 V CA -0.365 61.885 62.300 -0.083 0.000 0.881 119 V CB 1.779 33.507 31.823 -0.157 0.000 0.983 119 V HN 0.686 nan 8.190 nan 0.000 0.445 120 I N 4.501 125.110 120.570 0.065 0.000 2.354 120 I HA 0.310 4.480 4.170 -0.000 0.000 0.286 120 I C -0.272 175.902 176.117 0.096 0.000 1.007 120 I CA -0.184 61.169 61.300 0.087 0.000 1.167 120 I CB 1.209 39.295 38.000 0.145 0.000 1.320 120 I HN 0.518 nan 8.210 nan 0.000 0.458 121 C N 5.716 125.053 119.300 0.062 0.000 2.394 121 C HA 0.691 5.151 4.460 -0.000 0.000 0.362 121 C C 0.865 175.903 174.990 0.079 0.000 1.268 121 C CA -0.072 58.979 59.018 0.055 0.000 1.828 121 C CB -0.599 27.155 27.740 0.025 0.000 2.442 121 C HN 1.049 nan 8.230 nan 0.000 0.549 122 G N 4.032 112.901 108.800 0.116 0.000 2.777 122 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.686 122 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.686 122 G C -0.862 174.184 174.900 0.244 0.000 1.177 122 G CA -0.471 44.714 45.100 0.141 0.000 0.775 122 G HN 1.007 nan 8.290 nan 0.000 0.613 123 W N 4.692 126.013 121.300 0.036 0.000 2.391 123 W HA 0.638 5.298 4.660 -0.000 0.000 0.312 123 W C 0.150 176.678 176.519 0.015 0.000 1.003 123 W CA -0.193 57.172 57.345 0.034 0.000 1.375 123 W CB 1.438 30.928 29.460 0.050 0.000 1.253 123 W HN 1.326 nan 8.180 nan 0.000 0.416 124 S N 2.982 118.394 115.700 -0.481 0.000 2.704 124 S HA 0.337 4.806 4.470 -0.000 0.000 0.296 124 S C 0.714 174.989 174.600 -0.543 0.000 1.138 124 S CA -0.552 57.391 58.200 -0.428 0.000 0.875 124 S CB 2.245 65.330 63.200 -0.191 0.000 1.151 124 S HN 0.446 nan 8.310 nan 0.000 0.500 125 E N 1.551 121.542 120.200 -0.348 0.000 2.070 125 E HA -0.124 4.225 4.350 -0.000 0.000 0.197 125 E C 2.180 178.633 176.600 -0.245 0.000 1.004 125 E CA 1.987 58.218 56.400 -0.281 0.000 0.805 125 E CB -0.857 28.757 29.700 -0.143 0.000 0.744 125 E HN 0.679 nan 8.360 nan 0.000 0.451 126 S N 0.639 116.230 115.700 -0.182 0.000 2.365 126 S HA -0.201 4.269 4.470 -0.000 0.000 0.221 126 S C 2.185 176.685 174.600 -0.167 0.000 1.037 126 S CA 1.988 60.105 58.200 -0.138 0.000 1.060 126 S CB -0.896 62.233 63.200 -0.119 0.000 0.974 126 S HN 0.294 nan 8.310 nan 0.000 0.427 127 T N 2.921 117.348 114.554 -0.211 0.000 2.624 127 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 127 T C 1.717 176.260 174.700 -0.261 0.000 1.041 127 T CA 1.576 63.557 62.100 -0.197 0.000 1.159 127 T CB -0.692 68.049 68.868 -0.211 0.000 0.863 127 T HN 0.250 nan 8.240 nan 0.000 0.434 128 L N 0.930 121.827 121.223 -0.543 0.000 1.971 128 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 128 L C 2.772 179.550 176.870 -0.154 0.000 1.072 128 L CA 1.739 56.309 54.840 -0.451 0.000 0.758 128 L CB -0.371 41.362 42.059 -0.543 0.000 0.889 128 L HN 0.193 nan 8.230 nan 0.000 0.433 129 E N -0.585 119.528 120.200 -0.145 0.000 2.171 129 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 129 E C 2.145 178.717 176.600 -0.046 0.000 0.997 129 E CA 1.478 57.833 56.400 -0.075 0.000 0.810 129 E CB -0.903 28.754 29.700 -0.072 0.000 0.738 129 E HN 0.668 nan 8.360 nan 0.000 0.467 130 C N 0.288 119.557 119.300 -0.052 0.000 2.476 130 C HA -0.028 4.432 4.460 -0.000 0.000 0.278 130 C C 2.628 177.625 174.990 0.012 0.000 1.274 130 C CA 0.517 59.523 59.018 -0.020 0.000 1.713 130 C CB -1.096 26.631 27.740 -0.021 0.000 2.039 130 C HN 0.398 nan 8.230 nan 0.000 0.484 131 L N 1.487 122.733 121.223 0.037 0.000 2.349 131 L HA -0.040 4.299 4.340 -0.000 0.000 0.220 131 L C 2.552 179.460 176.870 0.063 0.000 1.130 131 L CA 1.664 56.555 54.840 0.086 0.000 0.791 131 L CB -0.900 41.273 42.059 0.190 0.000 0.918 131 L HN 0.332 nan 8.230 nan 0.000 0.444 132 R N -0.980 119.543 120.500 0.038 0.000 2.148 132 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 132 R C 1.823 178.135 176.300 0.019 0.000 1.088 132 R CA 0.966 57.083 56.100 0.029 0.000 0.985 132 R CB 0.031 30.339 30.300 0.013 0.000 0.880 132 R HN 0.441 nan 8.270 nan 0.000 0.451 133 E N 0.649 120.858 120.200 0.015 0.000 2.075 133 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 133 E C 1.768 178.379 176.600 0.019 0.000 0.969 133 E CA 0.659 57.066 56.400 0.011 0.000 0.815 133 E CB -0.004 29.699 29.700 0.005 0.000 0.776 133 E HN 0.283 nan 8.360 nan 0.000 0.457 134 L N 1.369 122.607 121.223 0.025 0.000 2.749 134 L HA 0.048 4.388 4.340 -0.000 0.000 0.245 134 L C 2.331 179.220 176.870 0.031 0.000 1.156 134 L CA 0.127 54.985 54.840 0.031 0.000 0.890 134 L CB -0.472 41.610 42.059 0.039 0.000 1.036 134 L HN 0.028 nan 8.230 nan 0.000 0.441 135 R N 1.385 121.901 120.500 0.027 0.000 2.119 135 R HA -0.150 4.190 4.340 -0.000 0.000 0.246 135 R C 1.713 178.024 176.300 0.019 0.000 1.146 135 R CA 1.448 57.562 56.100 0.023 0.000 0.962 135 R CB -0.309 30.003 30.300 0.020 0.000 0.863 135 R HN 0.430 nan 8.270 nan 0.000 0.442 136 G N -0.106 108.706 108.800 0.020 0.000 3.392 136 G HA2 0.131 4.091 3.960 -0.000 0.000 0.247 136 G HA3 0.131 4.091 3.960 -0.000 0.000 0.247 136 G C -0.842 174.074 174.900 0.027 0.000 1.161 136 G CA 0.433 45.545 45.100 0.020 0.000 1.739 136 G HN 0.418 nan 8.290 nan 0.000 0.619 137 S N -1.849 113.869 115.700 0.029 0.000 2.643 137 S HA 0.292 4.762 4.470 -0.000 0.000 0.266 137 S C -1.115 173.514 174.600 0.048 0.000 1.130 137 S CA -1.043 57.183 58.200 0.044 0.000 0.817 137 S CB 1.334 64.567 63.200 0.054 0.000 1.107 137 S HN 0.069 nan 8.310 nan 0.000 0.471 138 E N 0.873 121.126 120.200 0.089 0.000 2.159 138 E HA 0.412 4.762 4.350 -0.000 0.000 0.272 138 E C -0.947 175.748 176.600 0.158 0.000 1.138 138 E CA 0.059 56.535 56.400 0.126 0.000 0.915 138 E CB 0.966 30.821 29.700 0.257 0.000 1.028 138 E HN 0.435 nan 8.360 nan 0.000 0.423 139 V N 4.828 124.757 119.914 0.024 0.000 2.656 139 V HA 0.414 4.534 4.120 -0.000 0.000 0.307 139 V C -0.713 175.335 176.094 -0.075 0.000 1.051 139 V CA -0.761 61.577 62.300 0.064 0.000 0.893 139 V CB 1.360 33.211 31.823 0.046 0.000 0.999 139 V HN 0.412 nan 8.190 nan 0.000 0.426 140 F N 2.882 122.830 119.950 -0.003 0.000 2.477 140 F HA 0.616 5.143 4.527 -0.000 0.000 0.335 140 F C -0.032 175.776 175.800 0.015 0.000 1.130 140 F CA -0.831 57.173 58.000 0.007 0.000 0.948 140 F CB 2.057 41.048 39.000 -0.015 0.000 1.154 140 F HN 0.148 nan 8.300 nan 0.000 0.439 141 V N 5.268 125.293 119.914 0.186 0.000 2.370 141 V HA 0.329 4.449 4.120 -0.000 0.000 0.279 141 V C -0.302 175.850 176.094 0.096 0.000 1.029 141 V CA -0.720 61.699 62.300 0.198 0.000 0.870 141 V CB 1.647 33.623 31.823 0.255 0.000 0.984 141 V HN 0.635 nan 8.190 nan 0.000 0.451 142 L N 5.743 126.995 121.223 0.049 0.000 2.265 142 L HA 0.865 5.205 4.340 -0.000 0.000 0.289 142 L C 0.017 176.874 176.870 -0.022 0.000 1.033 142 L CA -0.019 54.766 54.840 -0.091 0.000 0.814 142 L CB 0.909 42.935 42.059 -0.055 0.000 1.203 142 L HN 0.775 nan 8.230 nan 0.000 0.423 143 A N 3.816 126.585 122.820 -0.084 0.000 2.556 143 A HA 0.438 4.758 4.320 -0.000 0.000 0.294 143 A C 0.223 177.752 177.584 -0.092 0.000 1.091 143 A CA -0.576 51.500 52.037 0.066 0.000 0.704 143 A CB 1.607 20.796 19.000 0.314 0.000 1.300 143 A HN 0.800 nan 8.150 nan 0.000 0.406 144 E N 0.133 120.293 120.200 -0.066 0.000 2.051 144 E HA -0.103 4.247 4.350 -0.000 0.000 0.189 144 E C -0.188 176.287 176.600 -0.209 0.000 0.979 144 E CA 0.553 56.858 56.400 -0.158 0.000 0.803 144 E CB 0.131 29.805 29.700 -0.044 0.000 0.761 144 E HN 0.707 nan 8.360 nan 0.000 0.451 145 D N 1.014 121.389 120.400 -0.042 0.000 2.358 145 D HA -0.066 4.574 4.640 -0.000 0.000 0.258 145 D C 0.803 177.110 176.300 0.011 0.000 1.223 145 D CA 0.165 54.165 54.000 0.001 0.000 0.886 145 D CB 1.448 42.268 40.800 0.033 0.000 1.120 145 D HN -0.024 nan 8.370 nan 0.000 0.482 146 E N 4.050 124.319 120.200 0.115 0.000 2.077 146 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 146 E C 1.185 177.761 176.600 -0.041 0.000 0.989 146 E CA 1.392 57.931 56.400 0.232 0.000 0.800 146 E CB -0.043 29.866 29.700 0.348 0.000 0.746 146 E HN 0.463 nan 8.360 nan 0.000 0.452 147 N N 0.181 118.860 118.700 -0.035 0.000 2.314 147 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 147 N C 1.738 177.126 175.510 -0.204 0.000 1.007 147 N CA 1.446 54.444 53.050 -0.086 0.000 0.883 147 N CB -0.276 38.191 38.487 -0.033 0.000 0.969 147 N HN 0.142 nan 8.380 nan 0.000 0.441 148 V N 1.414 121.134 119.914 -0.322 0.000 2.237 148 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 148 V C 2.462 178.045 176.094 -0.851 0.000 1.046 148 V CA 1.715 63.675 62.300 -0.567 0.000 1.007 148 V CB -0.581 30.832 31.823 -0.683 0.000 0.638 148 V HN 0.329 nan 8.190 nan 0.000 0.445 149 R N 0.744 120.460 120.500 -1.306 0.000 2.313 149 R HA -0.411 3.929 4.340 -0.000 0.000 0.218 149 R C 2.234 178.176 176.300 -0.595 0.000 1.104 149 R CA 3.138 58.521 56.100 -1.195 0.000 0.793 149 R CB -0.728 29.215 30.300 -0.596 0.000 0.964 149 R HN 0.493 nan 8.270 nan 0.000 0.377 150 K N -0.129 120.056 120.400 -0.357 0.000 2.117 150 K HA -0.300 4.020 4.320 -0.000 0.000 0.215 150 K C 2.344 178.812 176.600 -0.220 0.000 1.053 150 K CA 2.457 58.612 56.287 -0.219 0.000 0.935 150 K CB -0.289 32.122 32.500 -0.147 0.000 0.719 150 K HN 0.379 nan 8.250 nan 0.000 0.460 151 K N 0.796 121.029 120.400 -0.278 0.000 2.076 151 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 151 K C 1.890 178.313 176.600 -0.295 0.000 1.051 151 K CA 0.640 56.806 56.287 -0.202 0.000 0.949 151 K CB 0.214 32.658 32.500 -0.094 0.000 0.726 151 K HN -0.080 nan 8.250 nan 0.000 0.443 152 V N 1.838 121.371 119.914 -0.635 0.000 2.828 152 V HA -0.226 3.894 4.120 -0.000 0.000 0.260 152 V C 1.992 177.915 176.094 -0.285 0.000 1.101 152 V CA 1.370 63.260 62.300 -0.684 0.000 1.123 152 V CB -0.347 30.965 31.823 -0.852 0.000 0.704 152 V HN 0.335 nan 8.190 nan 0.000 0.493 153 L N -1.142 119.943 121.223 -0.230 0.000 2.202 153 L HA 0.033 4.373 4.340 -0.000 0.000 0.205 153 L C 2.645 179.466 176.870 -0.082 0.000 1.083 153 L CA 0.802 55.566 54.840 -0.128 0.000 0.790 153 L CB -0.419 41.573 42.059 -0.112 0.000 0.942 153 L HN 0.139 nan 8.230 nan 0.000 0.452 154 R N -0.320 120.133 120.500 -0.078 0.000 2.159 154 R HA -0.043 4.297 4.340 -0.000 0.000 0.237 154 R C 0.485 176.780 176.300 -0.008 0.000 1.131 154 R CA 0.520 56.599 56.100 -0.035 0.000 0.982 154 R CB -0.145 30.142 30.300 -0.022 0.000 0.868 154 R HN 0.216 nan 8.270 nan 0.000 0.453 155 S N -0.616 115.085 115.700 0.001 0.000 2.541 155 S HA 0.264 4.733 4.470 -0.000 0.000 0.283 155 S C 0.508 175.112 174.600 0.006 0.000 1.196 155 S CA -0.718 57.508 58.200 0.042 0.000 1.062 155 S CB 1.891 65.171 63.200 0.132 0.000 1.009 155 S HN 0.362 nan 8.310 nan 0.000 0.502 156 G N 1.450 110.256 108.800 0.010 0.000 3.022 156 G HA2 0.377 4.337 3.960 -0.000 0.000 0.246 156 G HA3 0.377 4.337 3.960 -0.000 0.000 0.246 156 G C 0.132 175.011 174.900 -0.035 0.000 0.859 156 G CA 0.217 45.309 45.100 -0.014 0.000 1.941 156 G HN 0.857 nan 8.290 nan 0.000 0.589 157 A N 0.631 123.417 122.820 -0.056 0.000 2.479 157 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 157 A C -0.316 177.174 177.584 -0.157 0.000 1.121 157 A CA -0.964 51.013 52.037 -0.100 0.000 0.743 157 A CB 1.386 20.371 19.000 -0.024 0.000 1.323 157 A HN 0.257 nan 8.150 nan 0.000 0.415 158 N N 0.300 118.822 118.700 -0.296 0.000 2.473 158 N HA 0.469 5.209 4.740 -0.000 0.000 0.291 158 N C -1.619 173.857 175.510 -0.057 0.000 1.083 158 N CA 0.041 52.917 53.050 -0.291 0.000 0.951 158 N CB 1.554 39.601 38.487 -0.733 0.000 1.164 158 N HN 0.528 nan 8.380 nan 0.000 0.480 159 F N 1.864 121.742 119.950 -0.121 0.000 2.420 159 F HA 0.391 4.918 4.527 -0.000 0.000 0.342 159 F C -0.502 175.324 175.800 0.044 0.000 1.113 159 F CA -0.822 57.140 58.000 -0.064 0.000 1.059 159 F CB 0.932 39.860 39.000 -0.120 0.000 1.128 159 F HN 0.073 nan 8.300 nan 0.000 0.475 160 V N 6.506 126.015 119.914 -0.674 0.000 2.325 160 V HA 0.131 4.251 4.120 -0.000 0.000 0.280 160 V C -0.354 175.221 176.094 -0.864 0.000 1.016 160 V CA -0.767 61.237 62.300 -0.492 0.000 0.818 160 V CB 0.643 32.375 31.823 -0.151 0.000 1.019 160 V HN 0.667 nan 8.190 nan 0.000 0.434 161 H N 4.065 122.628 119.070 -0.845 0.000 3.017 161 H HA 0.585 5.141 4.556 -0.000 0.000 0.276 161 H C 0.217 175.403 175.328 -0.237 0.000 1.062 161 H CA 1.129 56.857 56.048 -0.534 0.000 1.486 161 H CB 0.844 30.534 29.762 -0.119 0.000 1.507 161 H HN 0.806 nan 8.280 nan 0.000 0.508 162 G N 3.533 112.245 108.800 -0.147 0.000 2.430 162 G HA2 0.144 4.104 3.960 -0.000 0.000 0.300 162 G HA3 0.144 4.104 3.960 -0.000 0.000 0.300 162 G C -1.655 173.198 174.900 -0.080 0.000 1.330 162 G CA -0.793 44.305 45.100 -0.003 0.000 0.813 162 G HN 0.552 nan 8.290 nan 0.000 0.487 163 D N 0.135 120.512 120.400 -0.039 0.000 2.349 163 D HA 0.499 5.139 4.640 -0.000 0.000 0.232 163 D C -1.030 175.235 176.300 -0.058 0.000 1.071 163 D CA -2.236 51.734 54.000 -0.051 0.000 0.832 163 D CB 2.201 42.975 40.800 -0.044 0.000 1.086 163 D HN 0.079 nan 8.370 nan 0.000 0.504 164 P HA -0.102 nan 4.420 nan 0.000 0.234 164 P C 0.582 177.843 177.300 -0.064 0.000 1.162 164 P CA 0.727 63.801 63.100 -0.043 0.000 0.759 164 P CB 0.288 31.977 31.700 -0.019 0.000 0.813 165 T N -1.509 112.973 114.554 -0.121 0.000 3.051 165 T HA 0.055 4.405 4.350 -0.000 0.000 0.255 165 T C 1.068 175.652 174.700 -0.192 0.000 1.085 165 T CA 0.077 62.027 62.100 -0.249 0.000 1.109 165 T CB 0.054 68.652 68.868 -0.449 0.000 0.921 165 T HN 0.105 nan 8.240 nan 0.000 0.488 166 R N 1.684 122.119 120.500 -0.108 0.000 2.234 166 R HA 0.308 4.648 4.340 -0.000 0.000 0.324 166 R C 1.004 177.289 176.300 -0.025 0.000 1.054 166 R CA -0.214 55.854 56.100 -0.054 0.000 0.912 166 R CB 0.644 30.921 30.300 -0.039 0.000 1.030 166 R HN -0.013 nan 8.270 nan 0.000 0.455 167 V N 2.857 122.770 119.914 -0.002 0.000 2.324 167 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 167 V C 2.275 178.365 176.094 -0.007 0.000 1.060 167 V CA 2.362 64.664 62.300 0.003 0.000 1.042 167 V CB -0.531 31.300 31.823 0.014 0.000 0.650 167 V HN 0.961 nan 8.190 nan 0.000 0.450 168 S N 0.090 115.785 115.700 -0.007 0.000 2.387 168 S HA -0.286 4.184 4.470 -0.000 0.000 0.230 168 S C 1.634 176.224 174.600 -0.016 0.000 1.035 168 S CA 1.894 60.088 58.200 -0.010 0.000 1.014 168 S CB -0.533 62.663 63.200 -0.007 0.000 0.836 168 S HN 0.644 nan 8.310 nan 0.000 0.466 169 D N 1.240 121.629 120.400 -0.019 0.000 2.249 169 D HA 0.160 4.799 4.640 -0.000 0.000 0.205 169 D C 2.004 178.284 176.300 -0.034 0.000 0.962 169 D CA 0.456 54.440 54.000 -0.026 0.000 0.860 169 D CB -0.246 40.539 40.800 -0.025 0.000 0.955 169 D HN 0.361 nan 8.370 nan 0.000 0.505 170 L N 1.068 122.274 121.223 -0.029 0.000 2.046 170 L HA -0.162 4.177 4.340 -0.000 0.000 0.208 170 L C 2.247 179.097 176.870 -0.033 0.000 1.077 170 L CA 1.212 56.035 54.840 -0.029 0.000 0.747 170 L CB -0.258 41.791 42.059 -0.017 0.000 0.896 170 L HN 0.015 nan 8.230 nan 0.000 0.432 171 E N -0.118 120.065 120.200 -0.028 0.000 2.204 171 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 171 E C 1.995 178.569 176.600 -0.043 0.000 0.990 171 E CA 0.732 57.114 56.400 -0.031 0.000 0.821 171 E CB 0.005 29.692 29.700 -0.023 0.000 0.750 171 E HN 0.425 nan 8.360 nan 0.000 0.477 172 K N 0.208 120.583 120.400 -0.042 0.000 2.360 172 K HA -0.069 4.251 4.320 -0.000 0.000 0.201 172 K C 1.584 178.144 176.600 -0.067 0.000 1.046 172 K CA 0.900 57.159 56.287 -0.046 0.000 0.945 172 K CB 0.118 32.594 32.500 -0.040 0.000 0.750 172 K HN 0.017 nan 8.250 nan 0.000 0.464 173 A N 0.943 123.716 122.820 -0.078 0.000 2.390 173 A HA 0.024 4.344 4.320 -0.000 0.000 0.232 173 A C 0.196 177.702 177.584 -0.131 0.000 1.233 173 A CA -0.334 51.629 52.037 -0.123 0.000 0.907 173 A CB 0.033 18.984 19.000 -0.082 0.000 0.967 173 A HN 0.386 nan 8.150 nan 0.000 0.512 174 N N 0.131 118.783 118.700 -0.079 0.000 2.614 174 N HA -0.143 4.597 4.740 -0.000 0.000 0.276 174 N C 0.610 176.145 175.510 0.043 0.000 1.119 174 N CA 0.678 53.707 53.050 -0.035 0.000 0.742 174 N CB -1.015 37.416 38.487 -0.093 0.000 0.900 174 N HN 0.151 nan 8.380 nan 0.000 0.549 175 V N 2.634 122.548 119.914 0.000 0.000 2.515 175 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 175 V C 2.430 178.542 176.094 0.029 0.000 1.058 175 V CA 2.043 64.344 62.300 0.002 0.000 1.064 175 V CB -0.253 31.562 31.823 -0.013 0.000 0.675 175 V HN 0.529 nan 8.190 nan 0.000 0.461 176 R N 0.609 121.119 120.500 0.018 0.000 2.119 176 R HA -0.182 4.158 4.340 -0.000 0.000 0.246 176 R C 2.182 178.498 176.300 0.026 0.000 1.146 176 R CA 1.765 57.873 56.100 0.012 0.000 0.962 176 R CB -0.684 29.613 30.300 -0.005 0.000 0.863 176 R HN 0.574 nan 8.270 nan 0.000 0.442 177 G N -0.172 108.657 108.800 0.048 0.000 3.088 177 G HA2 0.262 4.222 3.960 -0.000 0.000 0.217 177 G HA3 0.262 4.222 3.960 -0.000 0.000 0.217 177 G C 0.106 175.121 174.900 0.191 0.000 1.159 177 G CA 0.097 45.228 45.100 0.052 0.000 0.760 177 G HN 0.368 nan 8.290 nan 0.000 0.550 178 A N 0.700 123.653 122.820 0.222 0.000 2.524 178 A HA 0.328 4.648 4.320 -0.000 0.000 0.250 178 A C 1.593 179.228 177.584 0.085 0.000 1.078 178 A CA -0.038 52.065 52.037 0.110 0.000 0.761 178 A CB 0.184 19.139 19.000 -0.075 0.000 1.012 178 A HN 0.391 nan 8.150 nan 0.000 0.500 179 R N 1.729 122.289 120.500 0.100 0.000 2.127 179 R HA 0.045 4.385 4.340 -0.000 0.000 0.238 179 R C 0.460 176.780 176.300 0.033 0.000 1.134 179 R CA 1.649 57.790 56.100 0.068 0.000 0.975 179 R CB -0.107 30.238 30.300 0.074 0.000 0.865 179 R HN 1.140 nan 8.270 nan 0.000 0.447 180 A N -0.978 121.848 122.820 0.010 0.000 2.590 180 A HA 0.452 4.772 4.320 -0.000 0.000 0.294 180 A C -1.590 175.983 177.584 -0.018 0.000 1.046 180 A CA -0.786 51.252 52.037 0.001 0.000 0.684 180 A CB 1.549 20.554 19.000 0.009 0.000 1.279 180 A HN -0.023 nan 8.150 nan 0.000 0.415 181 V N 1.919 121.825 119.914 -0.014 0.000 2.459 181 V HA 0.537 4.657 4.120 -0.000 0.000 0.295 181 V C -0.241 175.851 176.094 -0.004 0.000 1.029 181 V CA -0.317 61.973 62.300 -0.017 0.000 0.874 181 V CB 1.474 33.288 31.823 -0.016 0.000 0.985 181 V HN 0.681 nan 8.190 nan 0.000 0.438 182 I N 4.495 125.067 120.570 0.002 0.000 2.336 182 I HA 0.502 4.671 4.170 -0.000 0.000 0.292 182 I C -0.690 175.433 176.117 0.010 0.000 0.991 182 I CA -0.631 60.672 61.300 0.006 0.000 1.227 182 I CB 1.860 39.867 38.000 0.012 0.000 1.366 182 I HN 0.292 nan 8.210 nan 0.000 0.466 183 V N 5.074 124.989 119.914 0.001 0.000 2.487 183 V HA 0.419 4.539 4.120 -0.000 0.000 0.298 183 V C -0.982 175.106 176.094 -0.009 0.000 1.028 183 V CA -0.368 61.934 62.300 0.003 0.000 0.860 183 V CB 1.957 33.783 31.823 0.004 0.000 0.991 183 V HN 0.700 nan 8.190 nan 0.000 0.427 184 D N 4.479 124.876 120.400 -0.005 0.000 2.319 184 D HA 0.430 5.070 4.640 -0.000 0.000 0.237 184 D C -0.870 175.427 176.300 -0.006 0.000 1.353 184 D CA -0.188 53.798 54.000 -0.023 0.000 0.992 184 D CB 0.767 41.537 40.800 -0.050 0.000 1.368 184 D HN 0.347 nan 8.370 nan 0.000 0.564 185 L N 1.806 123.028 121.223 -0.002 0.000 2.376 185 L HA 0.493 4.833 4.340 -0.000 0.000 0.267 185 L C 1.787 178.660 176.870 0.005 0.000 1.035 185 L CA -0.935 53.911 54.840 0.011 0.000 0.800 185 L CB 0.972 43.039 42.059 0.014 0.000 1.290 185 L HN 0.308 nan 8.230 nan 0.000 0.462 186 E N 0.275 120.484 120.200 0.016 0.000 2.209 186 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 186 E C 0.124 176.736 176.600 0.019 0.000 0.993 186 E CA 1.160 57.571 56.400 0.019 0.000 0.819 186 E CB 0.107 29.823 29.700 0.027 0.000 0.745 186 E HN 0.592 nan 8.360 nan 0.000 0.477 187 S N -0.106 115.604 115.700 0.017 0.000 2.547 187 S HA 0.195 4.665 4.470 -0.000 0.000 0.281 187 S C 0.067 174.676 174.600 0.015 0.000 1.118 187 S CA -0.964 57.248 58.200 0.020 0.000 0.947 187 S CB 2.070 65.286 63.200 0.027 0.000 1.053 187 S HN -0.199 nan 8.310 nan 0.000 0.482 188 D N 2.524 122.928 120.400 0.007 0.000 2.191 188 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 188 D C 1.807 178.116 176.300 0.015 0.000 1.003 188 D CA 1.830 55.830 54.000 0.001 0.000 0.867 188 D CB -0.356 40.440 40.800 -0.007 0.000 0.926 188 D HN 0.592 nan 8.370 nan 0.000 0.450 189 S N 0.723 116.437 115.700 0.024 0.000 2.353 189 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 189 S C 1.839 176.482 174.600 0.072 0.000 1.035 189 S CA 1.105 59.328 58.200 0.039 0.000 1.025 189 S CB -0.274 62.950 63.200 0.040 0.000 0.902 189 S HN 0.422 nan 8.310 nan 0.000 0.440 190 E N 0.471 120.710 120.200 0.065 0.000 2.118 190 E HA -0.121 4.228 4.350 -0.000 0.000 0.195 190 E C 2.185 178.831 176.600 0.077 0.000 0.992 190 E CA 1.457 57.901 56.400 0.074 0.000 0.804 190 E CB -0.395 29.321 29.700 0.028 0.000 0.741 190 E HN 0.436 nan 8.360 nan 0.000 0.458 191 T N 1.799 116.380 114.554 0.046 0.000 2.674 191 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 191 T C 1.899 176.629 174.700 0.051 0.000 1.039 191 T CA 0.821 62.942 62.100 0.035 0.000 1.150 191 T CB -0.106 68.767 68.868 0.008 0.000 0.864 191 T HN 0.065 nan 8.240 nan 0.000 0.427 192 I N 1.203 121.799 120.570 0.043 0.000 2.248 192 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 192 I C 2.295 178.447 176.117 0.057 0.000 1.107 192 I CA 1.544 62.861 61.300 0.029 0.000 1.373 192 I CB -1.361 36.643 38.000 0.006 0.000 1.055 192 I HN 0.359 nan 8.210 nan 0.000 0.418 193 H N 0.707 119.773 119.070 -0.007 0.000 2.253 193 H HA -0.205 4.351 4.556 -0.000 0.000 0.299 193 H C 2.573 177.898 175.328 -0.004 0.000 1.064 193 H CA 2.238 58.283 56.048 -0.004 0.000 1.264 193 H CB -0.611 29.151 29.762 -0.001 0.000 1.371 193 H HN 0.387 nan 8.280 nan 0.000 0.493 194 C N 0.961 120.378 119.300 0.195 0.000 2.382 194 C HA -0.215 4.245 4.460 -0.000 0.000 0.274 194 C C 3.089 178.124 174.990 0.074 0.000 1.180 194 C CA 1.423 60.495 59.018 0.088 0.000 1.799 194 C CB -1.531 26.230 27.740 0.035 0.000 2.094 194 C HN 0.557 nan 8.230 nan 0.000 0.468 195 I N 0.212 120.817 120.570 0.059 0.000 2.076 195 I HA -0.236 3.934 4.170 -0.000 0.000 0.237 195 I C 2.591 178.728 176.117 0.033 0.000 1.059 195 I CA 1.972 63.291 61.300 0.033 0.000 1.317 195 I CB -0.644 37.367 38.000 0.018 0.000 1.037 195 I HN 0.378 nan 8.210 nan 0.000 0.398 196 L N 0.567 121.809 121.223 0.031 0.000 2.034 196 L HA -0.252 4.088 4.340 -0.000 0.000 0.217 196 L C 2.684 179.575 176.870 0.036 0.000 1.077 196 L CA 1.848 56.697 54.840 0.015 0.000 0.769 196 L CB -1.467 40.579 42.059 -0.021 0.000 0.890 196 L HN 0.416 nan 8.230 nan 0.000 0.435 197 G N 0.344 109.192 108.800 0.080 0.000 2.514 197 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 197 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 197 G C 1.533 176.455 174.900 0.037 0.000 1.198 197 G CA 1.070 46.214 45.100 0.074 0.000 0.780 197 G HN 0.299 nan 8.290 nan 0.000 0.565 198 I N 0.055 120.642 120.570 0.029 0.000 2.091 198 I HA -0.234 3.936 4.170 -0.000 0.000 0.239 198 I C 3.072 179.196 176.117 0.012 0.000 1.061 198 I CA 1.218 62.527 61.300 0.014 0.000 1.317 198 I CB -0.314 37.692 38.000 0.010 0.000 1.031 198 I HN 0.049 nan 8.210 nan 0.000 0.401 199 R N 1.060 121.566 120.500 0.012 0.000 2.133 199 R HA -0.263 4.077 4.340 -0.000 0.000 0.245 199 R C 2.111 178.415 176.300 0.006 0.000 1.137 199 R CA 1.568 57.672 56.100 0.007 0.000 0.947 199 R CB -0.990 29.312 30.300 0.004 0.000 0.865 199 R HN 0.386 nan 8.270 nan 0.000 0.437 200 K N 0.379 120.785 120.400 0.009 0.000 2.520 200 K HA -0.138 4.182 4.320 -0.000 0.000 0.198 200 K C 1.627 178.231 176.600 0.007 0.000 1.045 200 K CA 1.061 57.353 56.287 0.009 0.000 0.934 200 K CB 0.056 32.565 32.500 0.015 0.000 0.766 200 K HN 0.217 nan 8.250 nan 0.000 0.483 201 I N -1.441 119.133 120.570 0.006 0.000 4.049 201 I HA 0.012 4.181 4.170 -0.000 0.000 0.237 201 I C 0.478 176.597 176.117 0.002 0.000 1.076 201 I CA -0.359 60.942 61.300 0.003 0.000 1.610 201 I CB 0.150 38.151 38.000 0.001 0.000 1.544 201 I HN -0.045 nan 8.210 nan 0.000 0.458 202 D N 2.322 122.723 120.400 0.003 0.000 2.454 202 D HA 0.077 4.717 4.640 -0.000 0.000 0.225 202 D C 0.160 176.463 176.300 0.004 0.000 1.081 202 D CA -0.154 53.849 54.000 0.004 0.000 0.864 202 D CB 1.089 41.892 40.800 0.006 0.000 1.040 202 D HN 0.414 nan 8.370 nan 0.000 0.517 203 E N 1.265 121.467 120.200 0.003 0.000 2.382 203 E HA 0.062 4.412 4.350 -0.000 0.000 0.190 203 E C 0.291 176.894 176.600 0.003 0.000 1.125 203 E CA -0.028 56.373 56.400 0.003 0.000 0.929 203 E CB 0.286 29.987 29.700 0.001 0.000 1.053 203 E HN 0.017 nan 8.360 nan 0.000 0.475 204 S N -0.098 115.605 115.700 0.005 0.000 2.817 204 S HA 0.132 4.601 4.470 -0.000 0.000 0.262 204 S C 0.167 174.771 174.600 0.008 0.000 1.051 204 S CA -0.464 57.740 58.200 0.006 0.000 1.185 204 S CB 1.017 64.221 63.200 0.006 0.000 1.152 204 S HN 0.109 nan 8.310 nan 0.000 0.653 205 V N 3.149 123.068 119.914 0.008 0.000 2.740 205 V HA 0.164 4.284 4.120 -0.000 0.000 0.303 205 V C 0.738 176.837 176.094 0.008 0.000 1.054 205 V CA -0.052 62.254 62.300 0.010 0.000 1.106 205 V CB 0.345 32.173 31.823 0.008 0.000 0.957 205 V HN 0.347 nan 8.190 nan 0.000 0.486 206 R N 4.775 125.281 120.500 0.009 0.000 2.351 206 R HA 0.331 4.671 4.340 -0.000 0.000 0.318 206 R C -0.721 175.581 176.300 0.004 0.000 1.055 206 R CA -0.082 56.023 56.100 0.007 0.000 0.968 206 R CB 0.096 30.402 30.300 0.010 0.000 0.974 206 R HN 0.682 nan 8.270 nan 0.000 0.439 207 I N 6.732 127.304 120.570 0.003 0.000 2.377 207 I HA 0.297 4.467 4.170 -0.000 0.000 0.293 207 I C -0.182 175.935 176.117 -0.001 0.000 0.987 207 I CA -0.783 60.517 61.300 0.001 0.000 1.185 207 I CB 1.619 39.619 38.000 0.001 0.000 1.341 207 I HN 0.577 nan 8.210 nan 0.000 0.455 208 I N 5.986 126.555 120.570 -0.003 0.000 2.418 208 I HA 0.617 4.787 4.170 -0.000 0.000 0.287 208 I C -0.207 175.904 176.117 -0.010 0.000 1.008 208 I CA -0.442 60.854 61.300 -0.006 0.000 1.104 208 I CB 1.875 39.872 38.000 -0.005 0.000 1.264 208 I HN 0.558 nan 8.210 nan 0.000 0.438 209 A N 5.072 127.883 122.820 -0.015 0.000 2.413 209 A HA 0.662 4.982 4.320 -0.000 0.000 0.307 209 A C -0.817 176.745 177.584 -0.037 0.000 1.087 209 A CA -0.588 51.435 52.037 -0.022 0.000 0.750 209 A CB 1.797 20.787 19.000 -0.017 0.000 1.296 209 A HN 0.765 nan 8.150 nan 0.000 0.423 210 E N 1.166 121.334 120.200 -0.053 0.000 2.231 210 E HA 0.631 4.981 4.350 -0.000 0.000 0.277 210 E C -0.397 176.146 176.600 -0.094 0.000 0.999 210 E CA -0.645 55.703 56.400 -0.086 0.000 0.827 210 E CB 1.418 31.050 29.700 -0.114 0.000 1.101 210 E HN 0.834 nan 8.360 nan 0.000 0.393 211 A N 4.123 126.877 122.820 -0.110 0.000 2.288 211 A HA 0.252 4.572 4.320 -0.000 0.000 0.320 211 A C 0.400 177.883 177.584 -0.169 0.000 1.217 211 A CA -0.634 51.346 52.037 -0.095 0.000 0.840 211 A CB 1.106 20.078 19.000 -0.046 0.000 1.179 211 A HN 0.825 nan 8.150 nan 0.000 0.504 212 E N 1.467 121.580 120.200 -0.144 0.000 2.158 212 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 212 E C 0.153 176.723 176.600 -0.050 0.000 0.982 212 E CA 0.915 57.198 56.400 -0.195 0.000 0.823 212 E CB 0.207 29.866 29.700 -0.069 0.000 0.766 212 E HN 0.642 nan 8.360 nan 0.000 0.468 213 R N -0.125 120.382 120.500 0.013 0.000 2.621 213 R HA 0.163 4.503 4.340 -0.000 0.000 0.292 213 R C 0.378 176.740 176.300 0.104 0.000 0.969 213 R CA -0.501 55.653 56.100 0.091 0.000 0.887 213 R CB 1.135 31.482 30.300 0.079 0.000 1.180 213 R HN -0.057 nan 8.270 nan 0.000 0.450 214 Y N 2.740 123.055 120.300 0.026 0.000 2.193 214 Y HA -0.244 4.306 4.550 -0.000 0.000 0.285 214 Y C 1.051 176.956 175.900 0.008 0.000 1.166 214 Y CA 2.078 60.187 58.100 0.015 0.000 1.181 214 Y CB 0.184 38.660 38.460 0.027 0.000 0.976 214 Y HN 0.651 nan 8.280 nan 0.000 0.520 215 E N -0.551 119.568 120.200 -0.135 0.000 2.463 215 E HA -0.151 4.199 4.350 -0.000 0.000 0.201 215 E C 0.829 177.325 176.600 -0.173 0.000 1.045 215 E CA 0.823 57.093 56.400 -0.217 0.000 0.872 215 E CB -0.154 29.502 29.700 -0.075 0.000 0.797 215 E HN 0.539 nan 8.360 nan 0.000 0.538 216 N N 0.108 118.733 118.700 -0.125 0.000 2.171 216 N HA 0.156 4.896 4.740 -0.000 0.000 0.212 216 N C 1.342 176.800 175.510 -0.086 0.000 1.184 216 N CA 0.013 53.011 53.050 -0.087 0.000 0.888 216 N CB 0.513 38.973 38.487 -0.045 0.000 1.038 216 N HN 0.175 nan 8.380 nan 0.000 0.517 217 I N 1.111 121.613 120.570 -0.113 0.000 2.264 217 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 217 I C 2.343 178.422 176.117 -0.064 0.000 1.111 217 I CA 1.417 62.676 61.300 -0.068 0.000 1.382 217 I CB -0.014 37.961 38.000 -0.042 0.000 1.060 217 I HN 0.184 nan 8.210 nan 0.000 0.418 218 E N 0.641 120.785 120.200 -0.092 0.000 2.046 218 E HA -0.239 4.110 4.350 -0.000 0.000 0.190 218 E C 2.229 178.798 176.600 -0.051 0.000 0.982 218 E CA 1.008 57.368 56.400 -0.067 0.000 0.800 218 E CB 0.119 29.771 29.700 -0.080 0.000 0.756 218 E HN 0.430 nan 8.360 nan 0.000 0.449 219 Q N 0.494 120.261 119.800 -0.056 0.000 2.135 219 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 219 Q C 2.157 178.137 176.000 -0.034 0.000 0.981 219 Q CA 1.005 56.782 55.803 -0.043 0.000 0.856 219 Q CB -0.122 28.590 28.738 -0.043 0.000 0.902 219 Q HN 0.294 nan 8.270 nan 0.000 0.425 220 L N -0.098 121.104 121.223 -0.034 0.000 2.131 220 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 220 L C 2.343 179.201 176.870 -0.020 0.000 1.092 220 L CA 1.209 56.035 54.840 -0.024 0.000 0.759 220 L CB -0.062 41.981 42.059 -0.026 0.000 0.903 220 L HN 0.203 nan 8.230 nan 0.000 0.435 221 R N -0.951 119.536 120.500 -0.022 0.000 2.066 221 R HA -0.040 4.300 4.340 -0.000 0.000 0.224 221 R C 2.286 178.577 176.300 -0.016 0.000 1.122 221 R CA 1.133 57.223 56.100 -0.016 0.000 0.974 221 R CB -0.275 30.015 30.300 -0.016 0.000 0.871 221 R HN 0.314 nan 8.270 nan 0.000 0.435 222 M N 0.574 120.162 119.600 -0.021 0.000 2.088 222 M HA -0.212 4.268 4.480 -0.000 0.000 0.256 222 M C 2.520 178.809 176.300 -0.018 0.000 1.071 222 M CA 2.089 57.377 55.300 -0.020 0.000 1.097 222 M CB -0.660 31.925 32.600 -0.025 0.000 1.315 222 M HN 0.194 nan 8.290 nan 0.000 0.406 223 A N -0.387 122.422 122.820 -0.020 0.000 2.084 223 A HA 0.037 4.357 4.320 -0.000 0.000 0.221 223 A C 1.871 179.448 177.584 -0.011 0.000 1.161 223 A CA 1.858 53.884 52.037 -0.018 0.000 0.653 223 A CB -0.839 18.151 19.000 -0.017 0.000 0.802 223 A HN 0.803 nan 8.150 nan 0.000 0.457 224 G N -3.417 105.378 108.800 -0.009 0.000 2.234 224 G HA2 0.281 4.241 3.960 -0.000 0.000 0.153 224 G HA3 0.281 4.241 3.960 -0.000 0.000 0.153 224 G C 0.245 175.143 174.900 -0.003 0.000 1.013 224 G CA 0.069 45.166 45.100 -0.005 0.000 0.712 224 G HN 1.434 nan 8.290 nan 0.000 0.491 225 A N 0.369 123.187 122.820 -0.005 0.000 2.425 225 A HA 0.570 4.890 4.320 -0.000 0.000 0.249 225 A C 1.071 178.653 177.584 -0.004 0.000 1.084 225 A CA 0.781 52.815 52.037 -0.004 0.000 0.781 225 A CB 0.377 19.373 19.000 -0.008 0.000 1.019 225 A HN 0.160 nan 8.150 nan 0.000 0.490 226 D N 0.033 120.432 120.400 -0.002 0.000 2.262 226 D HA 0.038 4.678 4.640 -0.000 0.000 0.212 226 D C 0.453 176.753 176.300 0.000 0.000 0.964 226 D CA 1.125 55.125 54.000 0.000 0.000 0.875 226 D CB 0.337 41.138 40.800 0.002 0.000 0.996 226 D HN 0.633 nan 8.370 nan 0.000 0.497 227 Q N 0.675 120.474 119.800 -0.001 0.000 2.337 227 Q HA 0.435 4.775 4.340 -0.000 0.000 0.270 227 Q C -1.583 174.414 176.000 -0.006 0.000 1.043 227 Q CA -0.501 55.301 55.803 -0.001 0.000 0.794 227 Q CB 2.498 31.236 28.738 -0.001 0.000 1.281 227 Q HN -0.248 nan 8.270 nan 0.000 0.446 228 V N 5.266 125.178 119.914 -0.004 0.000 2.540 228 V HA 0.592 4.712 4.120 -0.000 0.000 0.302 228 V C -0.438 175.650 176.094 -0.009 0.000 1.035 228 V CA -0.616 61.678 62.300 -0.009 0.000 0.873 228 V CB 1.735 33.555 31.823 -0.005 0.000 0.992 228 V HN 0.776 nan 8.190 nan 0.000 0.428 229 I N 2.899 123.453 120.570 -0.026 0.000 2.465 229 I HA 0.438 4.608 4.170 -0.000 0.000 0.291 229 I C -0.134 175.947 176.117 -0.059 0.000 1.014 229 I CA -0.206 61.074 61.300 -0.032 0.000 1.093 229 I CB 2.320 40.296 38.000 -0.039 0.000 1.267 229 I HN 0.545 nan 8.210 nan 0.000 0.431 230 S N 7.551 123.224 115.700 -0.045 0.000 2.252 230 S HA 0.221 4.691 4.470 -0.000 0.000 0.180 230 S C -1.553 173.001 174.600 -0.077 0.000 1.534 230 S CA -1.117 57.038 58.200 -0.075 0.000 1.141 230 S CB 0.464 63.672 63.200 0.014 0.000 1.122 230 S HN 0.526 nan 8.310 nan 0.000 0.475 231 P HA -0.238 nan 4.420 nan 0.000 0.220 231 P C 1.043 178.453 177.300 0.184 0.000 1.155 231 P CA 1.660 64.742 63.100 -0.030 0.000 0.880 231 P CB -0.129 31.510 31.700 -0.102 0.000 0.790 232 F N -0.762 119.185 119.950 -0.005 0.000 2.259 232 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 232 F C 2.534 178.322 175.800 -0.019 0.000 1.088 232 F CA 0.100 58.095 58.000 -0.009 0.000 1.358 232 F CB -0.650 38.351 39.000 0.001 0.000 1.040 232 F HN -0.253 nan 8.300 nan 0.000 0.505 233 V N 0.823 120.829 119.914 0.154 0.000 2.358 233 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 233 V C 2.193 178.301 176.094 0.024 0.000 1.047 233 V CA 1.447 63.769 62.300 0.037 0.000 1.035 233 V CB -0.468 31.338 31.823 -0.028 0.000 0.658 233 V HN 0.287 nan 8.190 nan 0.000 0.452 234 I N 0.035 120.630 120.570 0.042 0.000 2.113 234 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 234 I C 2.785 178.924 176.117 0.036 0.000 1.070 234 I CA 1.957 63.275 61.300 0.030 0.000 1.332 234 I CB -0.641 37.377 38.000 0.030 0.000 1.044 234 I HN 0.358 nan 8.210 nan 0.000 0.402 235 S N 0.878 116.619 115.700 0.068 0.000 2.368 235 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 235 S C 2.102 176.711 174.600 0.016 0.000 1.044 235 S CA 2.012 60.241 58.200 0.048 0.000 1.062 235 S CB -0.889 62.357 63.200 0.077 0.000 0.931 235 S HN 0.578 nan 8.310 nan 0.000 0.440 236 G N 1.360 110.171 108.800 0.018 0.000 2.480 236 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 236 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 236 G C 1.553 176.443 174.900 -0.016 0.000 1.200 236 G CA 0.895 45.989 45.100 -0.010 0.000 0.782 236 G HN 0.584 nan 8.290 nan 0.000 0.554 237 R N -0.121 120.369 120.500 -0.017 0.000 2.094 237 R HA 0.007 4.347 4.340 -0.000 0.000 0.239 237 R C 2.710 179.005 176.300 -0.009 0.000 1.137 237 R CA 1.237 57.324 56.100 -0.021 0.000 0.943 237 R CB -0.662 29.622 30.300 -0.026 0.000 0.850 237 R HN 0.311 nan 8.270 nan 0.000 0.433 238 L N 0.286 121.510 121.223 0.001 0.000 2.043 238 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 238 L C 2.601 179.467 176.870 -0.007 0.000 1.075 238 L CA 1.502 56.345 54.840 0.005 0.000 0.752 238 L CB -0.382 41.684 42.059 0.011 0.000 0.891 238 L HN 0.312 nan 8.230 nan 0.000 0.432 239 M N -0.469 119.123 119.600 -0.014 0.000 2.084 239 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 239 M C 2.652 178.939 176.300 -0.022 0.000 1.072 239 M CA 2.408 57.695 55.300 -0.022 0.000 1.107 239 M CB -0.579 32.004 32.600 -0.028 0.000 1.299 239 M HN 0.392 nan 8.290 nan 0.000 0.413 240 S N 0.262 115.949 115.700 -0.021 0.000 2.423 240 S HA -0.193 4.276 4.470 -0.000 0.000 0.238 240 S C 1.802 176.393 174.600 -0.015 0.000 1.028 240 S CA 1.407 59.596 58.200 -0.019 0.000 1.000 240 S CB -0.632 62.555 63.200 -0.020 0.000 0.797 240 S HN 0.464 nan 8.310 nan 0.000 0.487 241 R N 1.074 121.567 120.500 -0.011 0.000 2.276 241 R HA 0.160 4.499 4.340 -0.000 0.000 0.196 241 R C 1.478 177.772 176.300 -0.009 0.000 0.961 241 R CA 0.869 56.966 56.100 -0.004 0.000 1.024 241 R CB -0.005 30.298 30.300 0.005 0.000 0.940 241 R HN 0.680 nan 8.270 nan 0.000 0.480 242 S N -0.751 114.936 115.700 -0.021 0.000 2.575 242 S HA 0.202 4.672 4.470 -0.000 0.000 0.237 242 S C 1.405 175.979 174.600 -0.044 0.000 0.975 242 S CA -0.365 57.810 58.200 -0.041 0.000 0.960 242 S CB -0.022 63.148 63.200 -0.050 0.000 0.822 242 S HN 0.129 nan 8.310 nan 0.000 0.472 243 I N 2.734 123.286 120.570 -0.030 0.000 2.286 243 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 243 I C 2.139 178.240 176.117 -0.026 0.000 1.104 243 I CA 1.565 62.849 61.300 -0.027 0.000 1.397 243 I CB -0.436 37.552 38.000 -0.020 0.000 1.072 243 I HN 0.471 nan 8.210 nan 0.000 0.417 244 D N 0.438 120.827 120.400 -0.019 0.000 1.865 244 D HA -0.072 4.568 4.640 -0.000 0.000 0.279 244 D C 0.305 176.591 176.300 -0.024 0.000 1.015 244 D CA 0.631 54.627 54.000 -0.007 0.000 0.925 244 D CB -0.184 40.623 40.800 0.012 0.000 1.252 244 D HN 0.013 nan 8.370 nan 0.000 0.480 245 D N -1.198 119.189 120.400 -0.022 0.000 2.350 245 D HA 0.371 5.010 4.640 -0.000 0.000 0.245 245 D C 0.215 176.384 176.300 -0.218 0.000 1.036 245 D CA -0.527 53.404 54.000 -0.116 0.000 0.848 245 D CB 1.875 42.735 40.800 0.101 0.000 1.307 245 D HN 0.456 nan 8.370 nan 0.000 0.469 246 G N 0.977 109.522 108.800 -0.424 0.000 3.440 246 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.263 246 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.263 246 G C 0.554 175.275 174.900 -0.298 0.000 1.236 246 G CA 0.014 44.932 45.100 -0.302 0.000 0.927 246 G HN 0.429 nan 8.290 nan 0.000 0.530 247 Y N 1.217 121.533 120.300 0.027 0.000 2.220 247 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 247 Y C 2.856 178.799 175.900 0.071 0.000 1.129 247 Y CA 1.177 59.303 58.100 0.043 0.000 1.161 247 Y CB 0.081 38.554 38.460 0.021 0.000 0.997 247 Y HN 0.336 nan 8.280 nan 0.000 0.522 248 E N 0.899 121.211 120.200 0.187 0.000 2.097 248 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 248 E C 2.123 178.814 176.600 0.152 0.000 1.000 248 E CA 1.583 58.069 56.400 0.142 0.000 0.804 248 E CB -0.728 29.020 29.700 0.081 0.000 0.740 248 E HN 0.465 nan 8.360 nan 0.000 0.454 249 A N 0.625 123.496 122.820 0.086 0.000 2.072 249 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 249 A C 2.256 179.877 177.584 0.062 0.000 1.156 249 A CA 0.651 52.724 52.037 0.060 0.000 0.701 249 A CB -0.340 18.667 19.000 0.011 0.000 0.816 249 A HN 0.174 nan 8.150 nan 0.000 0.458 250 M N -1.861 117.787 119.600 0.079 0.000 2.254 250 M HA -0.004 4.475 4.480 -0.000 0.000 0.265 250 M C 1.877 178.252 176.300 0.125 0.000 1.066 250 M CA 1.229 56.577 55.300 0.080 0.000 1.123 250 M CB -0.212 32.444 32.600 0.094 0.000 1.388 250 M HN 0.578 nan 8.290 nan 0.000 0.425 251 F N 0.418 120.394 119.950 0.044 0.000 2.014 251 F HA -0.199 4.328 4.527 -0.000 0.000 0.295 251 F C 2.031 177.843 175.800 0.019 0.000 1.145 251 F CA 1.722 59.744 58.000 0.036 0.000 1.178 251 F CB -0.835 38.187 39.000 0.037 0.000 0.972 251 F HN -0.204 nan 8.300 nan 0.000 0.476 252 V N 0.677 120.548 119.914 -0.072 0.000 2.250 252 V HA -0.419 3.700 4.120 -0.000 0.000 0.253 252 V C 2.448 178.432 176.094 -0.184 0.000 1.065 252 V CA 2.585 64.778 62.300 -0.177 0.000 1.039 252 V CB -0.966 30.855 31.823 -0.003 0.000 0.647 252 V HN 0.484 nan 8.190 nan 0.000 0.446 253 Q N -1.005 118.737 119.800 -0.097 0.000 2.079 253 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 253 Q C 2.082 178.023 176.000 -0.098 0.000 0.974 253 Q CA 1.808 57.564 55.803 -0.079 0.000 0.840 253 Q CB -0.171 28.544 28.738 -0.039 0.000 0.898 253 Q HN 0.656 nan 8.270 nan 0.000 0.430 254 D N -0.423 119.915 120.400 -0.104 0.000 2.117 254 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 254 D C 1.842 178.055 176.300 -0.144 0.000 0.982 254 D CA 0.822 54.768 54.000 -0.091 0.000 0.828 254 D CB 0.040 40.815 40.800 -0.042 0.000 0.967 254 D HN 0.006 nan 8.370 nan 0.000 0.464 255 V N 0.663 120.407 119.914 -0.284 0.000 2.392 255 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 255 V C 2.233 178.213 176.094 -0.190 0.000 1.059 255 V CA 1.175 63.287 62.300 -0.314 0.000 1.051 255 V CB -0.450 30.998 31.823 -0.625 0.000 0.658 255 V HN 0.279 nan 8.190 nan 0.000 0.455 256 L N -0.100 121.021 121.223 -0.169 0.000 2.554 256 L HA 0.248 4.588 4.340 -0.000 0.000 0.226 256 L C 1.140 177.967 176.870 -0.071 0.000 1.137 256 L CA 0.116 54.893 54.840 -0.105 0.000 0.863 256 L CB -0.395 41.609 42.059 -0.092 0.000 0.985 256 L HN 0.301 nan 8.230 nan 0.000 0.451 257 A N 0.359 123.136 122.820 -0.071 0.000 2.301 257 A HA 0.270 4.590 4.320 -0.000 0.000 0.298 257 A C 0.384 177.947 177.584 -0.036 0.000 1.185 257 A CA -0.498 51.512 52.037 -0.046 0.000 0.830 257 A CB 0.131 19.107 19.000 -0.040 0.000 1.112 257 A HN 0.326 nan 8.150 nan 0.000 0.508 258 E N 2.271 122.457 120.200 -0.024 0.000 3.057 258 E HA 0.072 4.422 4.350 -0.000 0.000 0.314 258 E C -0.288 176.305 176.600 -0.011 0.000 1.433 258 E CA 0.453 56.844 56.400 -0.015 0.000 1.546 258 E CB -0.348 29.346 29.700 -0.010 0.000 1.224 258 E HN 0.688 nan 8.360 nan 0.000 0.483 259 E N -0.367 119.825 120.200 -0.013 0.000 2.456 259 E HA 0.212 4.561 4.350 -0.000 0.000 0.276 259 E C 0.045 176.643 176.600 -0.003 0.000 0.981 259 E CA -0.437 55.959 56.400 -0.006 0.000 0.814 259 E CB 1.674 31.370 29.700 -0.007 0.000 1.382 259 E HN 0.165 nan 8.360 nan 0.000 0.459 260 S N -0.835 114.867 115.700 0.004 0.000 3.270 260 S HA -0.304 4.165 4.470 -0.000 0.000 0.293 260 S C 0.844 175.453 174.600 0.014 0.000 1.278 260 S CA 1.969 60.177 58.200 0.012 0.000 1.038 260 S CB -2.117 61.093 63.200 0.017 0.000 1.218 260 S HN 0.859 nan 8.310 nan 0.000 0.659 261 T N 0.241 114.801 114.554 0.011 0.000 12.940 261 T HA -0.295 4.055 4.350 -0.000 0.000 0.419 261 T C 0.327 175.036 174.700 0.016 0.000 1.444 261 T CA 1.771 63.879 62.100 0.013 0.000 2.373 261 T CB -1.354 67.524 68.868 0.016 0.000 2.821 261 T HN 0.984 nan 8.240 nan 0.000 0.696 262 R N 3.114 123.627 120.500 0.023 0.000 2.478 262 R HA 0.138 4.478 4.340 -0.000 0.000 0.281 262 R C 0.391 176.701 176.300 0.017 0.000 0.939 262 R CA 1.110 57.228 56.100 0.030 0.000 1.120 262 R CB -0.361 29.966 30.300 0.045 0.000 0.885 262 R HN 0.620 nan 8.270 nan 0.000 0.415 263 R N 2.191 122.704 120.500 0.021 0.000 2.574 263 R HA 0.299 4.639 4.340 -0.000 0.000 0.288 263 R C -0.134 176.176 176.300 0.018 0.000 1.004 263 R CA -0.739 55.367 56.100 0.010 0.000 0.895 263 R CB 2.262 32.568 30.300 0.010 0.000 1.191 263 R HN 0.474 nan 8.270 nan 0.000 0.444 264 M N 3.961 123.563 119.600 0.003 0.000 2.184 264 M HA 0.259 4.739 4.480 -0.000 0.000 0.351 264 M C -1.269 175.042 176.300 0.019 0.000 1.395 264 M CA 0.012 55.322 55.300 0.016 0.000 1.117 264 M CB 0.592 33.188 32.600 -0.006 0.000 1.708 264 M HN 0.341 nan 8.290 nan 0.000 0.468 265 V N 5.169 125.103 119.914 0.033 0.000 2.876 265 V HA 0.404 4.524 4.120 -0.000 0.000 0.312 265 V C -0.910 175.210 176.094 0.042 0.000 1.085 265 V CA -0.793 61.527 62.300 0.034 0.000 0.945 265 V CB 2.502 34.347 31.823 0.036 0.000 1.017 265 V HN 0.846 nan 8.190 nan 0.000 0.428 266 E N 2.868 123.093 120.200 0.041 0.000 2.102 266 E HA 0.639 4.989 4.350 -0.000 0.000 0.263 266 E C -1.444 175.189 176.600 0.055 0.000 0.894 266 E CA -0.583 55.846 56.400 0.048 0.000 0.746 266 E CB 1.930 31.653 29.700 0.039 0.000 1.129 266 E HN 0.286 nan 8.360 nan 0.000 0.416 267 V N 5.025 124.981 119.914 0.070 0.000 2.398 267 V HA 0.394 4.514 4.120 -0.000 0.000 0.286 267 V C -1.888 174.260 176.094 0.089 0.000 1.026 267 V CA -1.884 60.460 62.300 0.074 0.000 0.868 267 V CB 1.479 33.350 31.823 0.080 0.000 0.982 267 V HN 0.720 nan 8.190 nan 0.000 0.443 268 P HA 0.424 nan 4.420 nan 0.000 0.284 268 P C -0.783 176.569 177.300 0.086 0.000 1.258 268 P CA -0.469 62.680 63.100 0.081 0.000 0.824 268 P CB 1.602 33.338 31.700 0.060 0.000 1.038 269 I N 4.371 125.002 120.570 0.102 0.000 2.291 269 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 269 I C -1.584 174.569 176.117 0.058 0.000 1.050 269 I CA -2.515 58.840 61.300 0.092 0.000 1.245 269 I CB 0.937 39.024 38.000 0.144 0.000 1.405 269 I HN 0.189 nan 8.210 nan 0.000 0.478 270 P HA -0.108 nan 4.420 nan 0.000 0.269 270 P C 0.522 177.834 177.300 0.020 0.000 1.205 270 P CA 0.154 63.268 63.100 0.024 0.000 0.780 270 P CB 1.077 32.784 31.700 0.012 0.000 0.858 271 E N 2.174 122.383 120.200 0.016 0.000 2.049 271 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 271 E C 1.139 177.743 176.600 0.005 0.000 1.007 271 E CA 1.931 58.339 56.400 0.013 0.000 0.809 271 E CB -1.008 28.698 29.700 0.010 0.000 0.749 271 E HN 0.662 nan 8.360 nan 0.000 0.450 272 G N 0.377 109.176 108.800 -0.002 0.000 2.741 272 G HA2 0.383 4.343 3.960 -0.000 0.000 0.336 272 G HA3 0.383 4.343 3.960 -0.000 0.000 0.336 272 G C -0.974 173.913 174.900 -0.022 0.000 1.022 272 G CA 0.005 45.098 45.100 -0.011 0.000 1.193 272 G HN 0.165 nan 8.290 nan 0.000 0.455 273 S N 1.645 117.328 115.700 -0.027 0.000 2.472 273 S HA 0.329 4.799 4.470 -0.000 0.000 0.303 273 S C 1.149 175.700 174.600 -0.082 0.000 1.099 273 S CA -0.894 57.275 58.200 -0.053 0.000 1.077 273 S CB 0.886 64.061 63.200 -0.041 0.000 1.031 273 S HN 0.609 nan 8.310 nan 0.000 0.487 274 K N 4.193 124.517 120.400 -0.125 0.000 2.668 274 K HA 0.156 4.476 4.320 -0.000 0.000 0.204 274 K C 0.684 177.166 176.600 -0.196 0.000 1.016 274 K CA 0.551 56.746 56.287 -0.153 0.000 1.131 274 K CB -0.291 32.098 32.500 -0.185 0.000 0.891 274 K HN 0.557 nan 8.250 nan 0.000 0.499 275 L N 0.068 121.189 121.223 -0.170 0.000 2.758 275 L HA 0.091 4.431 4.340 -0.000 0.000 0.234 275 L C 0.533 177.363 176.870 -0.066 0.000 1.049 275 L CA -0.319 54.412 54.840 -0.182 0.000 0.908 275 L CB 0.384 42.261 42.059 -0.303 0.000 1.362 275 L HN 0.271 nan 8.230 nan 0.000 0.499 276 E N 1.097 121.281 120.200 -0.026 0.000 3.102 276 E HA -0.028 4.322 4.350 -0.000 0.000 0.235 276 E C 1.033 177.642 176.600 0.015 0.000 0.995 276 E CA 1.108 57.522 56.400 0.024 0.000 0.950 276 E CB -0.130 29.576 29.700 0.010 0.000 0.905 276 E HN 0.440 nan 8.360 nan 0.000 0.553 277 G N 2.534 111.356 108.800 0.038 0.000 2.238 277 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.217 277 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.217 277 G C 0.222 175.142 174.900 0.034 0.000 0.996 277 G CA -0.104 45.005 45.100 0.016 0.000 0.632 277 G HN 0.572 nan 8.290 nan 0.000 0.503 278 V N 1.616 121.563 119.914 0.054 0.000 2.924 278 V HA 0.567 4.687 4.120 -0.000 0.000 0.305 278 V C 1.216 177.414 176.094 0.173 0.000 1.073 278 V CA 0.569 62.909 62.300 0.067 0.000 1.098 278 V CB 1.627 33.451 31.823 0.001 0.000 1.000 278 V HN 0.630 nan 8.190 nan 0.000 0.484 279 S N 2.364 118.155 115.700 0.151 0.000 2.562 279 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 279 S C 1.016 175.797 174.600 0.301 0.000 1.281 279 S CA -0.657 57.665 58.200 0.204 0.000 1.045 279 S CB 1.487 64.763 63.200 0.126 0.000 0.962 279 S HN 0.446 nan 8.310 nan 0.000 0.503 280 V N 5.996 126.168 119.914 0.430 0.000 2.282 280 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 280 V C 2.342 178.594 176.094 0.263 0.000 1.057 280 V CA 2.274 64.872 62.300 0.497 0.000 1.032 280 V CB -0.926 31.123 31.823 0.377 0.000 0.645 280 V HN 0.895 nan 8.190 nan 0.000 0.447 281 L N -0.260 121.076 121.223 0.187 0.000 2.079 281 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 281 L C 2.359 179.295 176.870 0.110 0.000 1.081 281 L CA 1.922 56.836 54.840 0.124 0.000 0.752 281 L CB -0.448 41.669 42.059 0.095 0.000 0.896 281 L HN 0.412 nan 8.230 nan 0.000 0.433 282 D N -0.131 120.338 120.400 0.116 0.000 2.183 282 D HA -0.099 4.541 4.640 -0.000 0.000 0.203 282 D C 2.038 178.398 176.300 0.099 0.000 0.969 282 D CA 1.294 55.348 54.000 0.091 0.000 0.842 282 D CB 0.149 40.995 40.800 0.077 0.000 0.957 282 D HN 0.454 nan 8.370 nan 0.000 0.484 283 A N 0.649 123.541 122.820 0.121 0.000 2.167 283 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 283 A C 0.464 178.126 177.584 0.132 0.000 1.151 283 A CA 0.289 52.417 52.037 0.152 0.000 0.735 283 A CB -0.044 19.006 19.000 0.083 0.000 0.802 283 A HN -0.037 nan 8.150 nan 0.000 0.467 284 D N -0.595 119.861 120.400 0.093 0.000 2.733 284 D HA -0.208 4.432 4.640 -0.000 0.000 0.228 284 D C 0.894 177.186 176.300 -0.013 0.000 1.182 284 D CA 0.764 54.795 54.000 0.051 0.000 0.620 284 D CB -1.357 39.458 40.800 0.024 0.000 1.027 284 D HN 0.635 nan 8.370 nan 0.000 0.415 285 I N -0.947 119.626 120.570 0.005 0.000 2.290 285 I HA -0.390 3.780 4.170 -0.000 0.000 0.253 285 I C 2.251 178.344 176.117 -0.040 0.000 1.112 285 I CA 1.416 62.666 61.300 -0.083 0.000 1.377 285 I CB -0.338 37.684 38.000 0.036 0.000 1.060 285 I HN 0.312 nan 8.210 nan 0.000 0.428 286 H N 1.462 120.493 119.070 -0.065 0.000 2.261 286 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 286 H C 1.902 177.183 175.328 -0.079 0.000 1.067 286 H CA 1.864 57.880 56.048 -0.054 0.000 1.297 286 H CB -0.340 29.408 29.762 -0.023 0.000 1.377 286 H HN 0.213 nan 8.280 nan 0.000 0.492 287 D N -0.251 120.065 120.400 -0.140 0.000 2.133 287 D HA -0.143 4.496 4.640 -0.000 0.000 0.195 287 D C 2.406 178.586 176.300 -0.200 0.000 0.997 287 D CA 1.640 55.514 54.000 -0.210 0.000 0.840 287 D CB -0.141 40.593 40.800 -0.110 0.000 0.947 287 D HN 0.272 nan 8.370 nan 0.000 0.452 288 V N 0.525 120.304 119.914 -0.225 0.000 2.283 288 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 288 V C 2.482 178.398 176.094 -0.297 0.000 1.039 288 V CA 1.808 63.913 62.300 -0.325 0.000 1.016 288 V CB -0.620 30.792 31.823 -0.684 0.000 0.650 288 V HN 0.162 nan 8.190 nan 0.000 0.449 289 T N -1.390 112.998 114.554 -0.275 0.000 3.033 289 T HA 0.313 4.663 4.350 -0.000 0.000 0.248 289 T C 1.483 176.141 174.700 -0.070 0.000 1.040 289 T CA 1.224 63.228 62.100 -0.160 0.000 1.133 289 T CB 0.498 69.288 68.868 -0.129 0.000 0.895 289 T HN 0.774 nan 8.240 nan 0.000 0.465 290 G N 0.935 109.715 108.800 -0.034 0.000 2.176 290 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.232 290 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.232 290 G C 0.229 175.236 174.900 0.179 0.000 0.986 290 G CA -0.018 45.096 45.100 0.024 0.000 0.643 290 G HN 0.508 nan 8.290 nan 0.000 0.522 291 V N 2.844 122.841 119.914 0.137 0.000 2.389 291 V HA 0.389 4.509 4.120 -0.000 0.000 0.264 291 V C 1.133 177.287 176.094 0.100 0.000 1.049 291 V CA -0.445 61.918 62.300 0.106 0.000 0.932 291 V CB 0.968 32.831 31.823 0.067 0.000 1.011 291 V HN 0.332 nan 8.190 nan 0.000 0.475 292 I N 6.625 127.210 120.570 0.025 0.000 2.618 292 I HA 0.166 4.335 4.170 -0.000 0.000 0.284 292 I C 0.438 176.536 176.117 -0.031 0.000 1.146 292 I CA 0.206 61.434 61.300 -0.119 0.000 1.425 292 I CB 0.527 38.438 38.000 -0.148 0.000 1.383 292 I HN 0.569 nan 8.210 nan 0.000 0.562 293 I N 5.809 126.361 120.570 -0.030 0.000 2.306 293 I HA 0.298 4.467 4.170 -0.000 0.000 0.288 293 I C 0.983 177.091 176.117 -0.015 0.000 1.036 293 I CA -0.490 60.822 61.300 0.020 0.000 1.221 293 I CB 0.772 38.820 38.000 0.080 0.000 1.385 293 I HN 0.620 nan 8.210 nan 0.000 0.472 294 I N 2.643 123.211 120.570 -0.004 0.000 3.684 294 I HA 0.630 4.800 4.170 -0.000 0.000 0.304 294 I C 0.673 176.770 176.117 -0.033 0.000 1.278 294 I CA -0.082 61.207 61.300 -0.018 0.000 1.272 294 I CB -0.265 37.748 38.000 0.021 0.000 1.029 294 I HN 0.781 nan 8.210 nan 0.000 0.458 295 G N 0.344 109.120 108.800 -0.040 0.000 2.358 295 G HA2 0.409 4.369 3.960 -0.000 0.000 0.301 295 G HA3 0.409 4.369 3.960 -0.000 0.000 0.301 295 G C -1.573 173.271 174.900 -0.092 0.000 1.539 295 G CA -0.562 44.486 45.100 -0.085 0.000 0.893 295 G HN -0.062 nan 8.290 nan 0.000 0.636 296 V N -0.114 119.687 119.914 -0.188 0.000 2.628 296 V HA 0.927 5.047 4.120 -0.000 0.000 0.306 296 V C 0.770 176.793 176.094 -0.119 0.000 1.045 296 V CA 0.001 62.198 62.300 -0.172 0.000 0.905 296 V CB 1.938 33.538 31.823 -0.372 0.000 0.997 296 V HN 1.484 nan 8.190 nan 0.000 0.436 297 G N 2.531 111.312 108.800 -0.033 0.000 2.530 297 G HA2 0.630 4.590 3.960 -0.000 0.000 0.316 297 G HA3 0.630 4.590 3.960 -0.000 0.000 0.316 297 G C -0.682 174.234 174.900 0.027 0.000 1.298 297 G CA -0.714 44.382 45.100 -0.007 0.000 0.948 297 G HN 0.416 nan 8.290 nan 0.000 0.486 298 R N 1.959 122.475 120.500 0.028 0.000 2.423 298 R HA 0.342 4.682 4.340 -0.000 0.000 0.293 298 R C 0.797 177.114 176.300 0.027 0.000 1.196 298 R CA -0.413 55.711 56.100 0.040 0.000 1.262 298 R CB 0.796 31.126 30.300 0.049 0.000 1.116 298 R HN 0.997 nan 8.270 nan 0.000 0.566 299 G N 2.969 111.785 108.800 0.027 0.000 2.819 299 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.339 299 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.339 299 G C 0.208 175.118 174.900 0.016 0.000 0.136 299 G CA 0.627 45.740 45.100 0.021 0.000 1.240 299 G HN 0.785 nan 8.290 nan 0.000 0.499 300 D N 0.222 120.630 120.400 0.013 0.000 2.946 300 D HA -0.166 4.474 4.640 -0.000 0.000 0.202 300 D C 0.491 176.796 176.300 0.008 0.000 1.068 300 D CA 2.162 56.168 54.000 0.010 0.000 1.011 300 D CB -0.687 40.118 40.800 0.010 0.000 1.105 300 D HN 0.935 nan 8.370 nan 0.000 0.425 301 E N -0.445 119.760 120.200 0.008 0.000 2.366 301 E HA 0.663 5.013 4.350 -0.000 0.000 0.278 301 E C -1.563 175.033 176.600 -0.006 0.000 0.923 301 E CA -0.730 55.671 56.400 0.002 0.000 0.761 301 E CB 2.480 32.184 29.700 0.005 0.000 1.231 301 E HN 0.103 nan 8.360 nan 0.000 0.443 302 L N 4.470 125.683 121.223 -0.018 0.000 2.482 302 L HA 0.602 4.942 4.340 -0.000 0.000 0.263 302 L C -1.770 175.064 176.870 -0.060 0.000 0.957 302 L CA -0.573 54.244 54.840 -0.038 0.000 0.836 302 L CB 1.466 43.510 42.059 -0.025 0.000 1.324 302 L HN 0.564 nan 8.230 nan 0.000 0.406 303 I N 4.692 125.195 120.570 -0.111 0.000 2.404 303 I HA 0.272 4.442 4.170 -0.000 0.000 0.293 303 I C 0.173 176.204 176.117 -0.143 0.000 0.992 303 I CA -0.609 60.610 61.300 -0.136 0.000 1.149 303 I CB 1.888 39.760 38.000 -0.214 0.000 1.315 303 I HN 0.640 nan 8.210 nan 0.000 0.446 304 I N 2.967 123.476 120.570 -0.102 0.000 2.330 304 I HA -0.102 4.068 4.170 -0.000 0.000 0.229 304 I C 1.201 177.256 176.117 -0.103 0.000 1.063 304 I CA 1.194 62.442 61.300 -0.086 0.000 1.367 304 I CB -0.131 37.836 38.000 -0.055 0.000 1.158 304 I HN 0.571 nan 8.210 nan 0.000 0.411 305 D N 3.257 123.603 120.400 -0.089 0.000 2.470 305 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 305 D C -2.255 173.979 176.300 -0.110 0.000 1.196 305 D CA -2.286 51.663 54.000 -0.085 0.000 0.979 305 D CB -0.032 40.731 40.800 -0.061 0.000 1.059 305 D HN 0.052 nan 8.370 nan 0.000 0.515 306 P HA 0.113 nan 4.420 nan 0.000 0.264 306 P C -2.452 174.781 177.300 -0.111 0.000 1.193 306 P CA -0.963 61.983 63.100 -0.257 0.000 0.763 306 P CB 0.112 31.514 31.700 -0.496 0.000 0.810 307 P HA 0.064 nan 4.420 nan 0.000 0.267 307 P C 1.032 178.371 177.300 0.066 0.000 1.200 307 P CA -0.004 63.105 63.100 0.015 0.000 0.772 307 P CB 0.931 32.651 31.700 0.033 0.000 0.855 308 R N 1.691 122.228 120.500 0.062 0.000 2.112 308 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 308 R C 1.409 177.777 176.300 0.115 0.000 1.137 308 R CA 2.140 58.291 56.100 0.085 0.000 0.944 308 R CB -0.785 29.551 30.300 0.061 0.000 0.857 308 R HN 0.657 nan 8.270 nan 0.000 0.435 309 D N -0.052 120.405 120.400 0.096 0.000 2.396 309 D HA -0.128 4.512 4.640 -0.000 0.000 0.255 309 D C -0.267 176.097 176.300 0.108 0.000 1.224 309 D CA 0.070 54.123 54.000 0.087 0.000 0.894 309 D CB -0.401 40.433 40.800 0.056 0.000 0.939 309 D HN 0.202 nan 8.370 nan 0.000 0.506 310 Y N 2.369 122.672 120.300 0.004 0.000 2.304 310 Y HA 0.236 4.786 4.550 -0.000 0.000 0.327 310 Y C 0.081 175.980 175.900 -0.001 0.000 1.209 310 Y CA -0.930 57.147 58.100 -0.039 0.000 1.299 310 Y CB 1.221 39.614 38.460 -0.112 0.000 1.249 310 Y HN -0.041 nan 8.280 nan 0.000 0.519 311 S N 5.509 120.798 115.700 -0.684 0.000 2.596 311 S HA 0.486 4.956 4.470 -0.000 0.000 0.318 311 S C -0.995 173.311 174.600 -0.490 0.000 1.097 311 S CA -0.798 57.191 58.200 -0.353 0.000 1.080 311 S CB 0.038 63.112 63.200 -0.209 0.000 0.991 311 S HN 0.447 nan 8.310 nan 0.000 0.471 312 F N 2.721 122.550 119.950 -0.202 0.000 2.595 312 F HA 0.341 4.868 4.527 -0.000 0.000 0.359 312 F C 1.638 177.386 175.800 -0.087 0.000 1.147 312 F CA 0.184 58.147 58.000 -0.061 0.000 1.341 312 F CB 0.554 39.586 39.000 0.053 0.000 1.104 312 F HN 0.580 nan 8.300 nan 0.000 0.603 313 R N 0.747 121.318 120.500 0.117 0.000 3.328 313 R HA 0.735 5.075 4.340 -0.000 0.000 0.232 313 R C 0.858 177.212 176.300 0.090 0.000 1.606 313 R CA -0.418 55.717 56.100 0.058 0.000 1.025 313 R CB 0.214 30.516 30.300 0.004 0.000 1.701 313 R HN 0.617 nan 8.270 nan 0.000 0.526 314 A N 0.177 123.030 122.820 0.055 0.000 1.849 314 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 314 A C 1.968 179.590 177.584 0.064 0.000 1.269 314 A CA 1.366 53.435 52.037 0.053 0.000 0.605 314 A CB -1.526 17.493 19.000 0.032 0.000 0.937 314 A HN 0.756 nan 8.150 nan 0.000 0.461 315 G N -0.031 108.800 108.800 0.052 0.000 2.501 315 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.220 315 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.220 315 G C -0.017 174.924 174.900 0.070 0.000 1.114 315 G CA 0.753 45.885 45.100 0.052 0.000 0.757 315 G HN 0.488 nan 8.290 nan 0.000 0.559 316 D N -0.023 120.432 120.400 0.091 0.000 2.629 316 D HA 0.125 4.765 4.640 -0.000 0.000 0.228 316 D C 0.354 176.729 176.300 0.125 0.000 1.127 316 D CA 0.804 54.873 54.000 0.116 0.000 0.855 316 D CB 0.810 41.710 40.800 0.165 0.000 1.180 316 D HN 0.115 nan 8.370 nan 0.000 0.484 317 I N 2.683 123.314 120.570 0.101 0.000 2.465 317 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 317 I C -0.100 176.077 176.117 0.101 0.000 1.014 317 I CA -0.808 60.550 61.300 0.095 0.000 1.093 317 I CB 1.555 39.593 38.000 0.062 0.000 1.267 317 I HN 0.136 nan 8.210 nan 0.000 0.431 318 I N 6.525 127.173 120.570 0.131 0.000 2.304 318 I HA 0.193 4.362 4.170 -0.000 0.000 0.291 318 I C -0.593 175.577 176.117 0.089 0.000 1.018 318 I CA -0.640 60.745 61.300 0.141 0.000 1.260 318 I CB 1.528 39.655 38.000 0.213 0.000 1.390 318 I HN 0.310 nan 8.210 nan 0.000 0.475 319 L N 7.749 129.007 121.223 0.059 0.000 2.270 319 L HA 0.687 5.027 4.340 -0.000 0.000 0.286 319 L C 0.059 176.960 176.870 0.052 0.000 1.059 319 L CA 0.277 55.145 54.840 0.046 0.000 0.839 319 L CB 0.582 42.657 42.059 0.027 0.000 1.221 319 L HN 0.589 nan 8.230 nan 0.000 0.431 320 G N 5.186 114.021 108.800 0.059 0.000 2.659 320 G HA2 0.626 4.585 3.960 -0.000 0.000 0.296 320 G HA3 0.626 4.585 3.960 -0.000 0.000 0.296 320 G C -1.333 173.603 174.900 0.061 0.000 1.369 320 G CA -0.645 44.490 45.100 0.058 0.000 0.937 320 G HN 0.476 nan 8.290 nan 0.000 0.485 321 I N 0.466 121.076 120.570 0.067 0.000 2.460 321 I HA 0.809 4.978 4.170 -0.000 0.000 0.298 321 I C 0.624 176.781 176.117 0.066 0.000 0.989 321 I CA -0.531 60.814 61.300 0.075 0.000 1.173 321 I CB 2.129 40.203 38.000 0.123 0.000 1.338 321 I HN 0.812 nan 8.210 nan 0.000 0.456 322 G N 3.435 112.270 108.800 0.059 0.000 2.355 322 G HA2 0.316 4.276 3.960 -0.000 0.000 0.296 322 G HA3 0.316 4.276 3.960 -0.000 0.000 0.296 322 G C -1.709 173.218 174.900 0.044 0.000 1.507 322 G CA -1.042 44.092 45.100 0.058 0.000 0.823 322 G HN 0.371 nan 8.290 nan 0.000 0.569 323 K N 1.977 122.401 120.400 0.040 0.000 2.485 323 K HA 0.236 4.556 4.320 -0.000 0.000 0.277 323 K C -1.017 175.598 176.600 0.026 0.000 0.990 323 K CA -0.988 55.317 56.287 0.029 0.000 0.994 323 K CB 1.020 33.535 32.500 0.024 0.000 0.906 323 K HN 0.226 nan 8.250 nan 0.000 0.488 324 P HA -0.282 nan 4.420 nan 0.000 0.216 324 P C 0.254 177.566 177.300 0.020 0.000 1.157 324 P CA 1.711 64.823 63.100 0.021 0.000 0.880 324 P CB 0.249 31.959 31.700 0.017 0.000 0.791 325 E N 0.457 120.667 120.200 0.016 0.000 2.033 325 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 325 E C 2.208 178.816 176.600 0.014 0.000 1.011 325 E CA 1.387 57.795 56.400 0.013 0.000 0.815 325 E CB -0.613 29.092 29.700 0.009 0.000 0.755 325 E HN 0.415 nan 8.360 nan 0.000 0.451 326 E N 0.652 120.860 120.200 0.014 0.000 2.086 326 E HA -0.245 4.105 4.350 -0.000 0.000 0.200 326 E C 2.204 178.817 176.600 0.020 0.000 1.012 326 E CA 1.332 57.739 56.400 0.012 0.000 0.812 326 E CB -0.274 29.440 29.700 0.023 0.000 0.743 326 E HN 0.292 nan 8.360 nan 0.000 0.453 327 I N 0.862 121.449 120.570 0.028 0.000 2.076 327 I HA -0.328 3.842 4.170 -0.000 0.000 0.237 327 I C 2.746 178.884 176.117 0.035 0.000 1.059 327 I CA 1.496 62.817 61.300 0.035 0.000 1.317 327 I CB -0.442 37.578 38.000 0.034 0.000 1.037 327 I HN 0.196 nan 8.210 nan 0.000 0.398 328 E N 1.220 121.438 120.200 0.030 0.000 2.086 328 E HA -0.331 4.019 4.350 -0.000 0.000 0.200 328 E C 2.402 179.023 176.600 0.035 0.000 1.012 328 E CA 1.718 58.136 56.400 0.030 0.000 0.812 328 E CB -0.148 29.566 29.700 0.023 0.000 0.743 328 E HN 0.270 nan 8.360 nan 0.000 0.453 329 R N 0.388 120.904 120.500 0.028 0.000 2.105 329 R HA -0.138 4.201 4.340 -0.000 0.000 0.239 329 R C 2.620 178.951 176.300 0.052 0.000 1.135 329 R CA 1.210 57.327 56.100 0.029 0.000 0.967 329 R CB -0.294 30.007 30.300 0.002 0.000 0.861 329 R HN 0.349 nan 8.270 nan 0.000 0.442 330 L N 0.770 122.022 121.223 0.048 0.000 2.093 330 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 330 L C 1.968 178.907 176.870 0.114 0.000 1.085 330 L CA 1.542 56.428 54.840 0.078 0.000 0.755 330 L CB -0.148 41.948 42.059 0.061 0.000 0.904 330 L HN 0.192 nan 8.230 nan 0.000 0.435 331 K N -0.282 120.164 120.400 0.078 0.000 2.057 331 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 331 K C 1.811 178.449 176.600 0.064 0.000 1.049 331 K CA 1.474 57.801 56.287 0.066 0.000 0.931 331 K CB -0.189 32.340 32.500 0.048 0.000 0.714 331 K HN 0.416 nan 8.250 nan 0.000 0.440 332 N N 0.588 119.331 118.700 0.071 0.000 2.142 332 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 332 N C 1.541 177.100 175.510 0.082 0.000 1.023 332 N CA 0.952 54.039 53.050 0.063 0.000 0.852 332 N CB -0.337 38.185 38.487 0.059 0.000 0.998 332 N HN 0.217 nan 8.380 nan 0.000 0.424 333 Y N 1.331 121.620 120.300 -0.019 0.000 2.751 333 Y HA -0.001 4.548 4.550 -0.000 0.000 0.310 333 Y C 1.313 177.185 175.900 -0.047 0.000 1.176 333 Y CA 0.721 58.802 58.100 -0.032 0.000 1.360 333 Y CB -0.290 38.149 38.460 -0.035 0.000 0.999 333 Y HN 0.067 nan 8.280 nan 0.000 0.532 334 I N -2.294 118.243 120.570 -0.055 0.000 4.706 334 I HA 0.011 4.181 4.170 -0.000 0.000 0.321 334 I C 0.746 176.818 176.117 -0.076 0.000 1.249 334 I CA 0.207 61.438 61.300 -0.115 0.000 1.321 334 I CB -0.256 37.723 38.000 -0.035 0.000 1.342 334 I HN -0.017 nan 8.210 nan 0.000 0.463 335 S N 3.096 118.777 115.700 -0.031 0.000 2.642 335 S HA 0.261 4.730 4.470 -0.000 0.000 0.308 335 S C 0.766 175.345 174.600 -0.035 0.000 1.255 335 S CA -0.157 58.031 58.200 -0.020 0.000 1.057 335 S CB 0.135 63.333 63.200 -0.003 0.000 0.785 335 S HN 0.709 nan 8.310 nan 0.000 0.500 336 A N 0.000 122.804 122.820 -0.026 0.000 2.254 336 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 336 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 336 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 336 A HN 0.000 nan 8.150 nan 0.000 0.486