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 2r5j_1_L DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.607 177.584 0.039 0.000 1.274 20 A CA 0.000 52.039 52.037 0.003 0.000 0.836 20 A CB 0.000 19.001 19.000 0.002 0.000 0.831 21 V N 1.548 121.419 119.914 -0.071 0.000 2.686 21 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 21 V C 0.129 176.143 176.094 -0.134 0.000 1.055 21 V CA -0.077 62.162 62.300 -0.103 0.000 1.050 21 V CB 1.391 32.897 31.823 -0.528 0.000 0.984 21 V HN 0.806 nan 8.190 nan 0.000 0.482 22 V N 2.899 122.852 119.914 0.064 0.000 2.876 22 V HA 0.382 4.502 4.120 -0.000 0.000 0.312 22 V C 0.119 176.459 176.094 0.410 0.000 1.085 22 V CA -0.705 61.674 62.300 0.131 0.000 0.945 22 V CB 2.273 34.067 31.823 -0.049 0.000 1.017 22 V HN 0.883 nan 8.190 nan 0.000 0.428 23 S N 1.744 117.727 115.700 0.472 0.000 2.563 23 S HA -0.015 4.455 4.470 -0.000 0.000 0.294 23 S C 1.745 176.562 174.600 0.362 0.000 1.279 23 S CA 0.457 58.909 58.200 0.421 0.000 1.069 23 S CB 0.732 64.090 63.200 0.263 0.000 0.828 23 S HN 1.249 nan 8.310 nan 0.000 0.497 24 T N 2.060 116.790 114.554 0.293 0.000 2.751 24 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 24 T C 0.974 175.581 174.700 -0.156 0.000 1.045 24 T CA 1.869 63.885 62.100 -0.140 0.000 1.142 24 T CB -0.644 68.192 68.868 -0.053 0.000 0.851 24 T HN 0.744 nan 8.240 nan 0.000 0.474 25 D N 1.484 121.896 120.400 0.020 0.000 2.354 25 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 25 D C 1.962 178.292 176.300 0.049 0.000 0.970 25 D CA 0.789 54.800 54.000 0.018 0.000 0.905 25 D CB -0.197 40.629 40.800 0.044 0.000 0.903 25 D HN 0.604 nan 8.370 nan 0.000 0.508 26 E N -0.266 120.007 120.200 0.122 0.000 2.400 26 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 26 E C 0.930 177.689 176.600 0.266 0.000 1.012 26 E CA 0.228 56.735 56.400 0.178 0.000 0.875 26 E CB 0.205 30.015 29.700 0.183 0.000 0.859 26 E HN 0.626 nan 8.360 nan 0.000 0.498 27 Y N -2.292 118.072 120.300 0.106 0.000 2.717 27 Y HA 0.477 5.027 4.550 -0.000 0.000 0.250 27 Y C -0.099 175.904 175.900 0.171 0.000 1.149 27 Y CA -0.570 57.607 58.100 0.129 0.000 1.211 27 Y CB 0.319 38.863 38.460 0.141 0.000 1.289 27 Y HN -0.340 nan 8.280 nan 0.000 0.552 28 V N 1.365 121.207 119.914 -0.120 0.000 2.588 28 V HA 0.425 4.544 4.120 -0.000 0.000 0.304 28 V C -0.175 175.889 176.094 -0.050 0.000 1.042 28 V CA -0.598 61.648 62.300 -0.091 0.000 0.877 28 V CB 1.913 33.618 31.823 -0.196 0.000 0.996 28 V HN 0.326 nan 8.190 nan 0.000 0.425 29 T N 5.277 119.811 114.554 -0.033 0.000 2.875 29 T HA 0.500 4.850 4.350 -0.000 0.000 0.284 29 T C 0.034 174.690 174.700 -0.073 0.000 0.995 29 T CA -0.600 61.477 62.100 -0.038 0.000 1.060 29 T CB 0.810 69.665 68.868 -0.023 0.000 0.967 29 T HN 0.473 nan 8.240 nan 0.000 0.476 30 R N 1.590 122.054 120.500 -0.061 0.000 2.573 30 R HA 0.644 4.984 4.340 -0.000 0.000 0.272 30 R C 0.356 176.607 176.300 -0.082 0.000 1.009 30 R CA -0.623 55.431 56.100 -0.078 0.000 1.059 30 R CB 1.294 31.573 30.300 -0.036 0.000 1.112 30 R HN 0.810 nan 8.270 nan 0.000 0.517 31 T N -2.800 111.682 114.554 -0.119 0.000 2.930 31 T HA 0.250 4.600 4.350 -0.000 0.000 0.290 31 T C 0.362 175.019 174.700 -0.072 0.000 1.052 31 T CA -0.869 61.179 62.100 -0.087 0.000 1.017 31 T CB 1.445 70.239 68.868 -0.123 0.000 1.137 31 T HN 0.547 nan 8.240 nan 0.000 0.511 32 N N 0.387 119.102 118.700 0.025 0.000 2.484 32 N HA 0.163 4.903 4.740 -0.000 0.000 0.245 32 N C -0.701 174.895 175.510 0.143 0.000 1.184 32 N CA -0.277 52.853 53.050 0.134 0.000 0.884 32 N CB -0.144 38.438 38.487 0.158 0.000 1.182 32 N HN 0.395 nan 8.380 nan 0.000 0.493 33 I N 1.765 122.275 120.570 -0.100 0.000 2.330 33 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 33 I C -0.533 175.496 176.117 -0.146 0.000 1.001 33 I CA -1.036 60.277 61.300 0.022 0.000 1.193 33 I CB -0.373 37.659 38.000 0.054 0.000 1.345 33 I HN -0.023 nan 8.210 nan 0.000 0.461 34 Y N 5.748 126.146 120.300 0.163 0.000 2.509 34 Y HA 0.648 5.198 4.550 -0.000 0.000 0.341 34 Y C -0.612 175.317 175.900 0.049 0.000 1.038 34 Y CA -0.722 57.435 58.100 0.096 0.000 1.089 34 Y CB 1.883 40.246 38.460 -0.161 0.000 1.241 34 Y HN 0.346 nan 8.280 nan 0.000 0.468 35 Y N 0.407 120.709 120.300 0.003 0.000 2.524 35 Y HA 0.332 4.882 4.550 -0.000 0.000 0.347 35 Y C -0.418 175.257 175.900 -0.375 0.000 1.005 35 Y CA -1.137 56.871 58.100 -0.153 0.000 1.025 35 Y CB 1.675 39.971 38.460 -0.274 0.000 1.275 35 Y HN 0.594 nan 8.280 nan 0.000 0.460 36 H N 1.783 120.626 119.070 -0.378 0.000 2.533 36 H HA 0.897 5.453 4.556 -0.000 0.000 0.343 36 H C -1.626 173.284 175.328 -0.696 0.000 1.160 36 H CA -0.586 55.114 56.048 -0.580 0.000 1.218 36 H CB 1.745 31.001 29.762 -0.843 0.000 1.566 36 H HN 0.827 nan 8.280 nan 0.000 0.522 37 A N 2.190 124.509 122.820 -0.835 0.000 2.547 37 A HA 0.631 4.951 4.320 -0.000 0.000 0.297 37 A C -0.955 176.481 177.584 -0.247 0.000 1.056 37 A CA -0.058 51.750 52.037 -0.382 0.000 0.688 37 A CB 1.643 20.435 19.000 -0.346 0.000 1.282 37 A HN 0.894 nan 8.150 nan 0.000 0.400 38 G N 0.608 109.438 108.800 0.050 0.000 2.753 38 G HA2 0.635 4.595 3.960 -0.000 0.000 0.297 38 G HA3 0.635 4.595 3.960 -0.000 0.000 0.297 38 G C -0.440 174.529 174.900 0.116 0.000 1.430 38 G CA 0.219 45.378 45.100 0.097 0.000 1.040 38 G HN 1.523 nan 8.290 nan 0.000 0.530 39 S N 0.517 116.263 115.700 0.077 0.000 2.616 39 S HA 0.755 5.225 4.470 -0.000 0.000 0.277 39 S C 0.922 175.552 174.600 0.050 0.000 1.234 39 S CA 0.033 58.267 58.200 0.057 0.000 1.028 39 S CB 1.516 64.710 63.200 -0.009 0.000 0.988 39 S HN 1.568 nan 8.310 nan 0.000 0.522 40 S N 1.441 117.183 115.700 0.070 0.000 2.626 40 S HA 0.255 4.725 4.470 -0.000 0.000 0.257 40 S C 0.332 174.968 174.600 0.060 0.000 1.288 40 S CA -0.882 57.362 58.200 0.073 0.000 0.980 40 S CB 0.068 63.319 63.200 0.086 0.000 0.975 40 S HN 0.938 nan 8.310 nan 0.000 0.577 41 R N 0.021 120.561 120.500 0.067 0.000 2.570 41 R HA 0.204 4.544 4.340 -0.000 0.000 0.277 41 R C -1.026 175.351 176.300 0.129 0.000 1.039 41 R CA -0.047 56.096 56.100 0.072 0.000 1.065 41 R CB -0.280 30.061 30.300 0.067 0.000 0.964 41 R HN 0.677 nan 8.270 nan 0.000 0.428 42 L N 6.807 128.121 121.223 0.152 0.000 2.276 42 L HA 0.370 4.710 4.340 -0.000 0.000 0.286 42 L C -0.556 176.545 176.870 0.386 0.000 1.024 42 L CA -0.556 54.466 54.840 0.305 0.000 0.826 42 L CB 1.224 43.325 42.059 0.069 0.000 1.211 42 L HN 0.542 nan 8.230 nan 0.000 0.422 43 L N 3.012 124.471 121.223 0.394 0.000 2.332 43 L HA 0.966 5.306 4.340 -0.000 0.000 0.269 43 L C -0.053 177.039 176.870 0.369 0.000 1.016 43 L CA -0.453 54.590 54.840 0.338 0.000 0.809 43 L CB 1.956 44.129 42.059 0.191 0.000 1.280 43 L HN 0.668 nan 8.230 nan 0.000 0.447 44 A N 0.874 123.859 122.820 0.274 0.000 2.566 44 A HA 0.798 5.118 4.320 -0.000 0.000 0.297 44 A C -1.739 175.903 177.584 0.097 0.000 1.059 44 A CA -0.465 51.661 52.037 0.148 0.000 0.691 44 A CB 1.712 20.835 19.000 0.205 0.000 1.282 44 A HN 0.319 nan 8.150 nan 0.000 0.401 45 V N 1.151 121.092 119.914 0.046 0.000 2.733 45 V HA 0.890 5.010 4.120 -0.000 0.000 0.306 45 V C 0.506 176.620 176.094 0.033 0.000 1.084 45 V CA 0.371 62.699 62.300 0.046 0.000 0.905 45 V CB 1.599 33.451 31.823 0.049 0.000 1.010 45 V HN 1.876 nan 8.190 nan 0.000 0.424 46 G N 1.850 110.676 108.800 0.043 0.000 2.677 46 G HA2 0.402 4.362 3.960 -0.000 0.000 0.283 46 G HA3 0.402 4.362 3.960 -0.000 0.000 0.283 46 G C -1.598 173.340 174.900 0.063 0.000 1.221 46 G CA -0.470 44.665 45.100 0.058 0.000 0.851 46 G HN 0.669 nan 8.290 nan 0.000 0.504 47 H N 1.529 120.574 119.070 -0.043 0.000 2.458 47 H HA 0.434 4.990 4.556 -0.000 0.000 0.330 47 H C -1.692 173.553 175.328 -0.138 0.000 1.111 47 H CA -1.701 54.262 56.048 -0.141 0.000 1.245 47 H CB 2.846 32.492 29.762 -0.193 0.000 1.456 47 H HN 0.159 nan 8.280 nan 0.000 0.488 48 P HA 0.018 nan 4.420 nan 0.000 0.251 48 P C 0.278 177.685 177.300 0.178 0.000 1.223 48 P CA 0.769 63.823 63.100 -0.076 0.000 0.796 48 P CB 0.327 31.896 31.700 -0.218 0.000 1.068 49 Y N -0.671 119.711 120.300 0.137 0.000 2.576 49 Y HA 0.171 4.721 4.550 -0.000 0.000 0.282 49 Y C 1.009 176.971 175.900 0.103 0.000 1.139 49 Y CA -0.641 57.505 58.100 0.078 0.000 1.265 49 Y CB 0.238 38.707 38.460 0.014 0.000 1.376 49 Y HN -0.150 nan 8.280 nan 0.000 0.511 50 Y N -1.117 119.367 120.300 0.306 0.000 2.644 50 Y HA 0.846 5.396 4.550 -0.000 0.000 0.338 50 Y C -0.818 175.040 175.900 -0.071 0.000 1.119 50 Y CA -2.846 55.278 58.100 0.039 0.000 1.060 50 Y CB 0.550 38.985 38.460 -0.042 0.000 1.294 50 Y HN -0.108 nan 8.280 nan 0.000 0.472 51 A N 1.645 124.608 122.820 0.238 0.000 2.327 51 A HA 0.711 5.031 4.320 -0.000 0.000 0.283 51 A C -0.797 176.869 177.584 0.137 0.000 1.127 51 A CA -0.667 51.451 52.037 0.135 0.000 0.810 51 A CB -0.134 18.918 19.000 0.086 0.000 1.066 51 A HN 0.689 nan 8.150 nan 0.000 0.492 52 I N 3.179 123.806 120.570 0.095 0.000 2.428 52 I HA 0.213 4.383 4.170 -0.000 0.000 0.279 52 I C 0.358 176.509 176.117 0.057 0.000 1.040 52 I CA -0.399 60.955 61.300 0.090 0.000 1.171 52 I CB 0.857 38.922 38.000 0.107 0.000 1.312 52 I HN 0.753 nan 8.210 nan 0.000 0.470 53 K N 4.183 124.604 120.400 0.035 0.000 2.109 53 K HA 0.514 4.834 4.320 -0.000 0.000 0.243 53 K C -0.049 176.562 176.600 0.018 0.000 1.006 53 K CA -1.122 55.177 56.287 0.019 0.000 0.917 53 K CB 0.975 33.478 32.500 0.005 0.000 1.081 53 K HN 0.019 nan 8.250 nan 0.000 0.468 54 K N 0.837 121.244 120.400 0.012 0.000 2.508 54 K HA -0.160 4.160 4.320 -0.000 0.000 0.273 54 K C 0.919 177.524 176.600 0.008 0.000 0.964 54 K CA 0.716 57.010 56.287 0.011 0.000 0.948 54 K CB 0.491 32.994 32.500 0.005 0.000 0.917 54 K HN 0.729 nan 8.250 nan 0.000 0.512 55 Q N 1.173 120.979 119.800 0.010 0.000 2.226 55 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 55 Q C 0.260 176.258 176.000 -0.003 0.000 0.975 55 Q CA 2.009 57.815 55.803 0.005 0.000 0.866 55 Q CB 0.263 29.007 28.738 0.010 0.000 0.915 55 Q HN 0.703 nan 8.270 nan 0.000 0.440 56 D N -1.712 118.687 120.400 -0.003 0.000 3.194 56 D HA 0.052 4.692 4.640 -0.000 0.000 0.290 56 D C 0.259 176.555 176.300 -0.007 0.000 1.280 56 D CA 0.278 54.274 54.000 -0.006 0.000 1.058 56 D CB -0.604 40.193 40.800 -0.005 0.000 1.241 56 D HN 0.081 nan 8.370 nan 0.000 0.421 57 S N 1.504 117.201 115.700 -0.005 0.000 2.560 57 S HA -0.055 4.415 4.470 -0.000 0.000 0.276 57 S C 0.939 175.535 174.600 -0.007 0.000 1.350 57 S CA -0.131 58.065 58.200 -0.006 0.000 1.024 57 S CB 0.244 63.442 63.200 -0.005 0.000 0.864 57 S HN 0.272 nan 8.310 nan 0.000 0.536 58 N N 2.179 120.874 118.700 -0.009 0.000 2.251 58 N HA 0.075 4.814 4.740 -0.000 0.000 0.217 58 N C -0.201 175.305 175.510 -0.007 0.000 1.124 58 N CA -0.305 52.740 53.050 -0.009 0.000 0.843 58 N CB 0.071 38.551 38.487 -0.012 0.000 1.024 58 N HN 0.473 nan 8.380 nan 0.000 0.501 59 K N 1.219 121.616 120.400 -0.006 0.000 2.174 59 K HA 0.241 4.560 4.320 -0.000 0.000 0.275 59 K C -0.142 176.458 176.600 -0.001 0.000 1.015 59 K CA -0.625 55.658 56.287 -0.006 0.000 0.933 59 K CB 0.968 33.464 32.500 -0.007 0.000 1.025 59 K HN -0.085 nan 8.250 nan 0.000 0.463 60 I N 4.406 124.975 120.570 -0.002 0.000 2.379 60 I HA 0.019 4.189 4.170 -0.000 0.000 0.290 60 I C 1.094 177.214 176.117 0.005 0.000 1.063 60 I CA 0.209 61.512 61.300 0.005 0.000 1.351 60 I CB 0.133 38.134 38.000 0.002 0.000 1.410 60 I HN 0.817 nan 8.210 nan 0.000 0.505 61 A N 7.584 130.412 122.820 0.013 0.000 1.850 61 A HA 0.109 4.429 4.320 -0.000 0.000 0.212 61 A C 0.845 178.438 177.584 0.015 0.000 1.208 61 A CA 0.740 52.785 52.037 0.012 0.000 0.609 61 A CB -0.085 18.926 19.000 0.019 0.000 0.860 61 A HN 0.493 nan 8.150 nan 0.000 0.448 62 V N 1.117 121.049 119.914 0.031 0.000 2.334 62 V HA 0.344 4.463 4.120 -0.000 0.000 0.281 62 V C -2.410 173.711 176.094 0.045 0.000 1.016 62 V CA -2.282 60.041 62.300 0.039 0.000 0.832 62 V CB 0.909 32.772 31.823 0.066 0.000 0.999 62 V HN 0.336 nan 8.190 nan 0.000 0.439 63 P HA 0.014 nan 4.420 nan 0.000 0.272 63 P C -0.588 176.747 177.300 0.058 0.000 1.243 63 P CA -0.313 62.801 63.100 0.024 0.000 0.803 63 P CB 1.114 32.807 31.700 -0.013 0.000 0.974 64 K N 0.704 121.140 120.400 0.060 0.000 2.263 64 K HA 0.337 4.657 4.320 -0.000 0.000 0.282 64 K C -1.225 175.416 176.600 0.068 0.000 1.089 64 K CA -0.511 55.828 56.287 0.087 0.000 0.907 64 K CB 0.044 32.606 32.500 0.103 0.000 1.148 64 K HN 0.154 nan 8.250 nan 0.000 0.470 65 V N 3.187 123.134 119.914 0.055 0.000 2.326 65 V HA 0.240 4.360 4.120 -0.000 0.000 0.281 65 V C -0.404 175.678 176.094 -0.020 0.000 1.015 65 V CA -0.649 61.658 62.300 0.012 0.000 0.823 65 V CB 1.275 33.087 31.823 -0.017 0.000 1.009 65 V HN 0.702 nan 8.190 nan 0.000 0.436 66 S N 2.920 118.633 115.700 0.022 0.000 2.536 66 S HA 0.624 5.094 4.470 -0.000 0.000 0.298 66 S C 1.231 175.899 174.600 0.113 0.000 1.083 66 S CA 0.159 58.436 58.200 0.128 0.000 0.995 66 S CB 1.898 65.210 63.200 0.187 0.000 1.058 66 S HN 0.909 nan 8.310 nan 0.000 0.488 67 G N 2.149 111.137 108.800 0.312 0.000 2.509 67 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.218 67 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.218 67 G C 0.617 175.637 174.900 0.200 0.000 1.124 67 G CA 0.484 45.761 45.100 0.294 0.000 0.776 67 G HN 0.630 nan 8.290 nan 0.000 0.547 68 L N 0.533 121.874 121.223 0.197 0.000 2.805 68 L HA 0.290 4.630 4.340 -0.000 0.000 0.237 68 L C 0.463 177.424 176.870 0.152 0.000 1.252 68 L CA -0.044 54.908 54.840 0.186 0.000 1.064 68 L CB 0.018 42.244 42.059 0.277 0.000 1.361 68 L HN 0.196 nan 8.230 nan 0.000 0.474 69 Q N -1.115 118.764 119.800 0.132 0.000 2.345 69 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 69 Q C -1.183 174.903 176.000 0.143 0.000 1.054 69 Q CA -0.931 54.971 55.803 0.165 0.000 0.835 69 Q CB 2.103 30.939 28.738 0.163 0.000 1.339 69 Q HN 0.018 nan 8.270 nan 0.000 0.447 70 Y N 0.652 120.991 120.300 0.065 0.000 2.330 70 Y HA 0.186 4.736 4.550 -0.000 0.000 0.341 70 Y C 0.484 176.360 175.900 -0.041 0.000 1.278 70 Y CA 0.042 58.161 58.100 0.032 0.000 1.453 70 Y CB 0.703 39.173 38.460 0.016 0.000 1.342 70 Y HN 0.237 nan 8.280 nan 0.000 0.590 71 R N 1.434 121.945 120.500 0.018 0.000 2.412 71 R HA 0.349 4.689 4.340 -0.000 0.000 0.304 71 R C -1.805 174.205 176.300 -0.483 0.000 1.066 71 R CA -0.767 55.106 56.100 -0.378 0.000 0.923 71 R CB 0.795 30.678 30.300 -0.693 0.000 1.156 71 R HN 0.402 nan 8.270 nan 0.000 0.513 72 V N 5.460 125.211 119.914 -0.271 0.000 2.320 72 V HA 0.368 4.488 4.120 -0.000 0.000 0.265 72 V C 0.084 176.045 176.094 -0.222 0.000 1.048 72 V CA -0.477 61.746 62.300 -0.129 0.000 0.865 72 V CB 0.080 31.985 31.823 0.138 0.000 1.043 72 V HN 0.395 nan 8.190 nan 0.000 0.474 73 F N 4.017 123.966 119.950 -0.002 0.000 2.411 73 F HA 0.505 5.032 4.527 -0.000 0.000 0.350 73 F C 0.790 176.454 175.800 -0.226 0.000 1.114 73 F CA -0.396 57.551 58.000 -0.090 0.000 1.135 73 F CB 0.907 39.803 39.000 -0.174 0.000 1.120 73 F HN 0.339 nan 8.300 nan 0.000 0.495 74 R N 3.580 124.028 120.500 -0.087 0.000 2.246 74 R HA 0.499 4.839 4.340 -0.000 0.000 0.332 74 R C -1.563 174.550 176.300 -0.311 0.000 0.974 74 R CA -0.503 55.231 56.100 -0.609 0.000 0.837 74 R CB 0.889 30.892 30.300 -0.495 0.000 1.145 74 R HN 0.544 nan 8.270 nan 0.000 0.467 75 V N 5.867 125.540 119.914 -0.401 0.000 2.372 75 V HA 0.163 4.283 4.120 -0.000 0.000 0.261 75 V C 0.303 176.231 176.094 -0.276 0.000 1.055 75 V CA -0.475 61.653 62.300 -0.287 0.000 0.930 75 V CB 0.745 32.341 31.823 -0.378 0.000 1.031 75 V HN 0.561 nan 8.190 nan 0.000 0.479 76 K N 5.267 125.553 120.400 -0.190 0.000 2.297 76 K HA 0.503 4.823 4.320 -0.000 0.000 0.286 76 K C -0.571 175.890 176.600 -0.231 0.000 1.053 76 K CA -0.067 56.116 56.287 -0.173 0.000 0.940 76 K CB 1.167 33.607 32.500 -0.100 0.000 1.019 76 K HN 0.547 nan 8.250 nan 0.000 0.475 77 L N 5.556 126.615 121.223 -0.274 0.000 2.334 77 L HA 0.423 4.763 4.340 -0.000 0.000 0.276 77 L C -1.976 174.645 176.870 -0.414 0.000 1.014 77 L CA -2.196 52.370 54.840 -0.458 0.000 0.815 77 L CB 2.105 43.862 42.059 -0.504 0.000 1.268 77 L HN 0.369 nan 8.230 nan 0.000 0.428 78 P HA -0.060 nan 4.420 nan 0.000 0.268 78 P C -0.864 176.250 177.300 -0.309 0.000 1.204 78 P CA -0.154 62.650 63.100 -0.494 0.000 0.768 78 P CB 0.921 32.107 31.700 -0.857 0.000 0.842 79 D N 5.486 125.799 120.400 -0.144 0.000 2.349 79 D HA 0.018 4.658 4.640 -0.000 0.000 0.266 79 D C -1.061 175.194 176.300 -0.075 0.000 1.293 79 D CA -1.685 52.278 54.000 -0.062 0.000 0.926 79 D CB 0.680 41.491 40.800 0.019 0.000 1.090 79 D HN 0.258 nan 8.370 nan 0.000 0.502 80 P HA -0.093 nan 4.420 nan 0.000 0.236 80 P C 0.529 177.882 177.300 0.089 0.000 1.172 80 P CA 0.412 63.464 63.100 -0.082 0.000 0.759 80 P CB 0.439 31.718 31.700 -0.701 0.000 0.843 81 N N 0.217 118.933 118.700 0.027 0.000 2.368 81 N HA 0.002 4.742 4.740 -0.000 0.000 0.176 81 N C 1.564 177.127 175.510 0.089 0.000 1.021 81 N CA 0.714 53.796 53.050 0.054 0.000 0.888 81 N CB 0.137 38.630 38.487 0.009 0.000 0.995 81 N HN 0.311 nan 8.380 nan 0.000 0.437 82 K N 0.307 120.764 120.400 0.096 0.000 1.991 82 K HA 0.033 4.353 4.320 -0.000 0.000 0.208 82 K C 0.357 177.009 176.600 0.085 0.000 1.038 82 K CA 0.007 56.344 56.287 0.084 0.000 0.943 82 K CB -0.357 32.198 32.500 0.092 0.000 0.736 82 K HN -0.114 nan 8.250 nan 0.000 0.440 83 F N 1.082 120.951 119.950 -0.134 0.000 2.304 83 F HA -0.145 4.382 4.527 -0.000 0.000 0.321 83 F C 1.064 176.603 175.800 -0.434 0.000 0.865 83 F CA 0.995 58.796 58.000 -0.332 0.000 1.105 83 F CB 0.031 38.802 39.000 -0.382 0.000 0.864 83 F HN 0.165 nan 8.300 nan 0.000 0.609 84 G N 3.409 111.849 108.800 -0.600 0.000 2.590 84 G HA2 0.605 4.565 3.960 -0.000 0.000 0.310 84 G HA3 0.605 4.565 3.960 -0.000 0.000 0.310 84 G C -1.881 172.653 174.900 -0.611 0.000 1.347 84 G CA -0.592 44.247 45.100 -0.435 0.000 0.963 84 G HN 0.368 nan 8.290 nan 0.000 0.494 85 F N 2.484 122.458 119.950 0.040 0.000 2.520 85 F HA 0.434 4.961 4.527 -0.000 0.000 0.322 85 F C -1.191 174.618 175.800 0.014 0.000 1.103 85 F CA -2.155 55.877 58.000 0.053 0.000 0.926 85 F CB 2.993 42.023 39.000 0.049 0.000 1.154 85 F HN 0.306 nan 8.300 nan 0.000 0.453 86 P HA -0.148 nan 4.420 nan 0.000 0.217 86 P C 0.690 177.993 177.300 0.006 0.000 1.151 86 P CA 1.481 64.627 63.100 0.076 0.000 0.828 86 P CB 0.343 32.090 31.700 0.079 0.000 0.788 87 D N -0.505 119.920 120.400 0.040 0.000 2.350 87 D HA -0.037 4.603 4.640 -0.000 0.000 0.213 87 D C 0.406 176.526 176.300 -0.299 0.000 1.031 87 D CA 0.363 54.320 54.000 -0.071 0.000 0.861 87 D CB -0.355 40.507 40.800 0.104 0.000 0.926 87 D HN 0.057 nan 8.370 nan 0.000 0.520 88 T N -1.410 113.078 114.554 -0.110 0.000 4.099 88 T HA 0.132 4.482 4.350 -0.000 0.000 0.223 88 T C 1.120 175.769 174.700 -0.084 0.000 0.968 88 T CA 0.086 62.147 62.100 -0.065 0.000 0.966 88 T CB -0.009 68.927 68.868 0.113 0.000 1.328 88 T HN 0.011 nan 8.240 nan 0.000 0.783 89 S N 0.422 115.821 115.700 -0.501 0.000 2.520 89 S HA 0.198 4.668 4.470 -0.000 0.000 0.219 89 S C 0.569 174.984 174.600 -0.307 0.000 1.028 89 S CA -0.787 57.202 58.200 -0.351 0.000 0.921 89 S CB -0.412 62.602 63.200 -0.310 0.000 0.844 89 S HN 0.567 nan 8.310 nan 0.000 0.495 90 F N 1.749 121.765 119.950 0.110 0.000 2.975 90 F HA 0.668 5.195 4.527 -0.000 0.000 0.311 90 F C -0.436 175.448 175.800 0.139 0.000 1.239 90 F CA -2.509 55.543 58.000 0.087 0.000 1.282 90 F CB -1.048 37.989 39.000 0.063 0.000 1.071 90 F HN 0.229 nan 8.300 nan 0.000 0.516 91 Y N 0.564 120.935 120.300 0.118 0.000 2.433 91 Y HA 0.576 5.126 4.550 -0.000 0.000 0.337 91 Y C -1.783 174.131 175.900 0.023 0.000 1.026 91 Y CA -2.152 55.999 58.100 0.086 0.000 1.037 91 Y CB 1.683 40.170 38.460 0.046 0.000 1.245 91 Y HN 0.118 nan 8.280 nan 0.000 0.443 92 D N 8.393 128.518 120.400 -0.457 0.000 2.473 92 D HA 0.368 5.008 4.640 -0.000 0.000 0.226 92 D C -2.090 173.766 176.300 -0.740 0.000 1.089 92 D CA -2.718 50.981 54.000 -0.501 0.000 0.883 92 D CB 1.585 42.271 40.800 -0.191 0.000 1.029 92 D HN 0.414 nan 8.370 nan 0.000 0.517 93 P HA -0.036 nan 4.420 nan 0.000 0.239 93 P C 0.841 177.986 177.300 -0.258 0.000 1.184 93 P CA 0.340 63.081 63.100 -0.599 0.000 0.760 93 P CB 0.373 31.852 31.700 -0.368 0.000 0.884 94 A N 1.250 123.936 122.820 -0.224 0.000 1.855 94 A HA -0.084 4.236 4.320 -0.000 0.000 0.213 94 A C 2.334 179.874 177.584 -0.075 0.000 1.195 94 A CA 2.054 54.020 52.037 -0.119 0.000 0.610 94 A CB -1.109 17.833 19.000 -0.096 0.000 0.837 94 A HN 0.360 nan 8.150 nan 0.000 0.444 95 S N -1.180 114.476 115.700 -0.074 0.000 2.503 95 S HA 0.183 4.653 4.470 -0.000 0.000 0.215 95 S C 0.847 175.436 174.600 -0.017 0.000 1.003 95 S CA -0.320 57.864 58.200 -0.027 0.000 0.910 95 S CB -0.054 63.137 63.200 -0.015 0.000 0.790 95 S HN 0.623 nan 8.310 nan 0.000 0.514 96 Q N 0.337 120.111 119.800 -0.044 0.000 2.252 96 Q HA 0.681 5.021 4.340 -0.000 0.000 0.256 96 Q C -0.566 175.438 176.000 0.006 0.000 1.020 96 Q CA -1.041 54.782 55.803 0.035 0.000 0.913 96 Q CB 0.958 29.813 28.738 0.195 0.000 1.286 96 Q HN 0.089 nan 8.270 nan 0.000 0.480 97 R N -0.178 120.288 120.500 -0.058 0.000 2.728 97 R HA 0.576 4.916 4.340 -0.000 0.000 0.274 97 R C -1.480 174.574 176.300 -0.409 0.000 1.030 97 R CA -0.654 55.214 56.100 -0.385 0.000 0.876 97 R CB 0.881 30.460 30.300 -1.201 0.000 1.259 97 R HN 0.563 nan 8.270 nan 0.000 0.468 98 L N 0.320 121.254 121.223 -0.481 0.000 2.370 98 L HA 0.802 5.142 4.340 -0.000 0.000 0.266 98 L C -0.436 176.224 176.870 -0.350 0.000 1.002 98 L CA -1.154 53.412 54.840 -0.458 0.000 0.818 98 L CB 2.276 43.975 42.059 -0.600 0.000 1.325 98 L HN 0.141 nan 8.230 nan 0.000 0.418 99 V N -0.299 119.396 119.914 -0.365 0.000 2.914 99 V HA 0.431 4.551 4.120 -0.000 0.000 0.314 99 V C -1.271 174.548 176.094 -0.459 0.000 1.084 99 V CA -0.673 61.466 62.300 -0.268 0.000 0.963 99 V CB 2.398 34.095 31.823 -0.210 0.000 1.025 99 V HN 0.634 nan 8.190 nan 0.000 0.432 100 W N 1.398 122.571 121.300 -0.213 0.000 2.390 100 W HA 0.686 5.346 4.660 -0.000 0.000 0.312 100 W C 0.133 176.571 176.519 -0.135 0.000 1.123 100 W CA -0.504 56.720 57.345 -0.201 0.000 1.202 100 W CB 1.512 30.766 29.460 -0.343 0.000 1.251 100 W HN 0.653 nan 8.180 nan 0.000 0.511 101 A N 4.082 127.018 122.820 0.195 0.000 2.322 101 A HA 0.372 4.692 4.320 -0.000 0.000 0.327 101 A C -0.288 177.404 177.584 0.180 0.000 1.394 101 A CA -0.621 51.456 52.037 0.067 0.000 0.921 101 A CB -0.113 18.873 19.000 -0.024 0.000 1.153 101 A HN 0.786 nan 8.150 nan 0.000 0.523 102 C N 2.600 121.991 119.300 0.150 0.000 2.611 102 C HA 0.353 4.813 4.460 -0.000 0.000 0.416 102 C C 1.445 176.380 174.990 -0.091 0.000 1.366 102 C CA 1.181 60.181 59.018 -0.031 0.000 1.761 102 C CB -0.538 27.138 27.740 -0.106 0.000 2.619 102 C HN 0.853 nan 8.230 nan 0.000 0.606 103 T N 3.330 117.819 114.554 -0.107 0.000 3.010 103 T HA 0.343 4.693 4.350 -0.000 0.000 0.252 103 T C 0.483 175.302 174.700 0.198 0.000 0.963 103 T CA 0.645 62.783 62.100 0.064 0.000 0.952 103 T CB 0.467 69.432 68.868 0.163 0.000 1.182 103 T HN 1.011 nan 8.240 nan 0.000 0.495 104 G N 0.822 109.658 108.800 0.061 0.000 2.682 104 G HA2 0.600 4.560 3.960 -0.000 0.000 0.300 104 G HA3 0.600 4.560 3.960 -0.000 0.000 0.300 104 G C -1.704 172.950 174.900 -0.410 0.000 1.391 104 G CA -0.334 44.751 45.100 -0.024 0.000 0.990 104 G HN 0.139 nan 8.290 nan 0.000 0.501 105 V N 1.269 120.875 119.914 -0.514 0.000 2.680 105 V HA 0.676 4.796 4.120 -0.000 0.000 0.309 105 V C -0.645 175.037 176.094 -0.686 0.000 1.052 105 V CA -0.795 61.170 62.300 -0.559 0.000 0.908 105 V CB 2.093 33.751 31.823 -0.275 0.000 1.001 105 V HN 0.721 nan 8.190 nan 0.000 0.431 106 E N 2.558 122.286 120.200 -0.787 0.000 2.343 106 E HA 0.342 4.692 4.350 -0.000 0.000 0.260 106 E C -1.705 174.556 176.600 -0.566 0.000 0.908 106 E CA -0.252 55.720 56.400 -0.714 0.000 0.814 106 E CB 2.183 31.513 29.700 -0.617 0.000 1.302 106 E HN 0.412 nan 8.360 nan 0.000 0.408 107 V N 3.440 123.092 119.914 -0.437 0.000 2.270 107 V HA 0.323 4.443 4.120 -0.000 0.000 0.263 107 V C 0.718 176.620 176.094 -0.319 0.000 1.066 107 V CA -0.431 61.672 62.300 -0.327 0.000 0.857 107 V CB 1.003 32.691 31.823 -0.225 0.000 1.099 107 V HN 0.605 nan 8.190 nan 0.000 0.476 108 G N 5.363 113.987 108.800 -0.293 0.000 2.380 108 G HA2 0.481 4.441 3.960 -0.000 0.000 0.262 108 G HA3 0.481 4.441 3.960 -0.000 0.000 0.262 108 G C -0.166 174.580 174.900 -0.258 0.000 1.243 108 G CA -0.451 44.512 45.100 -0.229 0.000 0.865 108 G HN 0.447 nan 8.290 nan 0.000 0.513 109 R N 0.796 121.163 120.500 -0.222 0.000 2.740 109 R HA 0.670 5.010 4.340 -0.000 0.000 0.282 109 R C 0.261 176.460 176.300 -0.169 0.000 0.969 109 R CA -0.564 55.354 56.100 -0.303 0.000 0.918 109 R CB 2.070 32.211 30.300 -0.265 0.000 1.175 109 R HN 0.647 nan 8.270 nan 0.000 0.464 110 G N 0.236 108.939 108.800 -0.162 0.000 2.735 110 G HA2 0.554 4.514 3.960 -0.000 0.000 0.301 110 G HA3 0.554 4.514 3.960 -0.000 0.000 0.301 110 G C -1.118 173.762 174.900 -0.033 0.000 1.279 110 G CA -0.268 44.791 45.100 -0.067 0.000 1.019 110 G HN 0.368 nan 8.290 nan 0.000 0.497 111 Q N -1.679 118.119 119.800 -0.002 0.000 0.798 111 Q HA -0.127 4.213 4.340 -0.000 0.000 0.128 111 Q C -2.692 173.317 176.000 0.015 0.000 1.137 111 Q CA 0.130 55.945 55.803 0.020 0.000 0.195 111 Q CB -1.591 27.175 28.738 0.047 0.000 5.513 111 Q HN 0.673 nan 8.270 nan 0.000 0.290 112 P HA 0.382 nan 4.420 nan 0.000 0.282 112 P C -0.274 177.036 177.300 0.017 0.000 1.249 112 P CA -0.651 62.457 63.100 0.012 0.000 0.806 112 P CB 0.549 32.252 31.700 0.007 0.000 0.984 113 L N 1.354 122.587 121.223 0.017 0.000 2.473 113 L HA 0.517 4.857 4.340 -0.000 0.000 0.265 113 L C 1.461 178.339 176.870 0.012 0.000 1.243 113 L CA 1.536 56.389 54.840 0.022 0.000 0.822 113 L CB -0.920 41.152 42.059 0.022 0.000 1.101 113 L HN 0.925 nan 8.230 nan 0.000 0.507 114 G N -0.663 108.145 108.800 0.013 0.000 2.361 114 G HA2 0.480 4.440 3.960 -0.000 0.000 0.305 114 G HA3 0.480 4.440 3.960 -0.000 0.000 0.305 114 G C -1.670 173.227 174.900 -0.005 0.000 1.367 114 G CA -0.263 44.836 45.100 -0.003 0.000 0.951 114 G HN 1.000 nan 8.290 nan 0.000 0.615 115 V N -1.630 118.273 119.914 -0.018 0.000 2.876 115 V HA 0.999 5.119 4.120 -0.000 0.000 0.312 115 V C 0.887 176.956 176.094 -0.043 0.000 1.085 115 V CA 0.159 62.452 62.300 -0.013 0.000 0.945 115 V CB 1.365 33.193 31.823 0.008 0.000 1.017 115 V HN 2.174 nan 8.190 nan 0.000 0.428 116 G N 1.575 110.351 108.800 -0.040 0.000 2.631 116 G HA2 0.573 4.533 3.960 -0.000 0.000 0.271 116 G HA3 0.573 4.533 3.960 -0.000 0.000 0.271 116 G C -0.499 174.362 174.900 -0.065 0.000 1.302 116 G CA 0.048 45.109 45.100 -0.064 0.000 1.002 116 G HN 1.782 nan 8.290 nan 0.000 0.519 117 I N -1.101 119.431 120.570 -0.064 0.000 2.710 117 I HA 0.358 4.528 4.170 -0.000 0.000 0.283 117 I C -0.874 175.208 176.117 -0.060 0.000 1.355 117 I CA -0.457 60.799 61.300 -0.073 0.000 1.094 117 I CB 1.123 39.112 38.000 -0.020 0.000 1.365 117 I HN 0.454 nan 8.210 nan 0.000 0.435 118 S N 4.668 120.196 115.700 -0.286 0.000 2.578 118 S HA 1.009 5.479 4.470 -0.000 0.000 0.301 118 S C -0.020 174.425 174.600 -0.258 0.000 1.091 118 S CA -0.458 57.492 58.200 -0.416 0.000 1.032 118 S CB 1.902 64.731 63.200 -0.618 0.000 1.064 118 S HN 0.947 nan 8.310 nan 0.000 0.508 119 G N 0.188 108.787 108.800 -0.334 0.000 2.687 119 G HA2 0.597 4.557 3.960 -0.000 0.000 0.291 119 G HA3 0.597 4.557 3.960 -0.000 0.000 0.291 119 G C -2.100 172.723 174.900 -0.129 0.000 1.420 119 G CA -0.469 44.545 45.100 -0.144 0.000 0.796 119 G HN 0.671 nan 8.290 nan 0.000 0.485 120 H N 0.320 119.329 119.070 -0.101 0.000 3.224 120 H HA 0.321 4.877 4.556 -0.000 0.000 0.331 120 H C -2.342 172.959 175.328 -0.044 0.000 1.002 120 H CA -1.146 54.855 56.048 -0.078 0.000 1.473 120 H CB 2.935 32.647 29.762 -0.084 0.000 1.830 120 H HN 0.150 nan 8.280 nan 0.000 0.485 121 P HA -0.071 nan 4.420 nan 0.000 0.217 121 P C 0.603 177.996 177.300 0.155 0.000 1.148 121 P CA 1.192 64.300 63.100 0.012 0.000 0.828 121 P CB 0.405 32.072 31.700 -0.056 0.000 0.783 122 L N -1.856 119.660 121.223 0.488 0.000 3.193 122 L HA 0.226 4.566 4.340 -0.000 0.000 0.305 122 L C -0.060 176.867 176.870 0.095 0.000 1.299 122 L CA -0.985 54.015 54.840 0.266 0.000 0.904 122 L CB 0.304 42.490 42.059 0.213 0.000 1.331 122 L HN -0.072 nan 8.230 nan 0.000 0.588 123 L N 1.280 122.557 121.223 0.089 0.000 2.559 123 L HA -0.039 4.301 4.340 -0.000 0.000 0.282 123 L C 0.675 177.440 176.870 -0.175 0.000 1.232 123 L CA 0.686 55.403 54.840 -0.205 0.000 0.885 123 L CB 0.219 42.246 42.059 -0.054 0.000 1.131 123 L HN 0.216 nan 8.230 nan 0.000 0.498 124 N N 4.845 123.401 118.700 -0.240 0.000 2.448 124 N HA 0.158 4.898 4.740 -0.000 0.000 0.250 124 N C -1.115 174.395 175.510 -0.000 0.000 1.136 124 N CA 0.068 53.039 53.050 -0.130 0.000 0.953 124 N CB -0.060 38.326 38.487 -0.169 0.000 1.251 124 N HN 0.478 nan 8.380 nan 0.000 0.502 125 K N 5.257 125.677 120.400 0.033 0.000 2.640 125 K HA 0.125 4.445 4.320 -0.000 0.000 0.245 125 K C -0.081 176.561 176.600 0.069 0.000 0.962 125 K CA -0.550 55.795 56.287 0.097 0.000 0.896 125 K CB 0.943 33.367 32.500 -0.126 0.000 1.147 125 K HN 0.300 nan 8.250 nan 0.000 0.445 126 L N 3.398 124.701 121.223 0.134 0.000 1.913 126 L HA 0.004 4.343 4.340 -0.000 0.000 0.217 126 L C 0.005 176.950 176.870 0.125 0.000 1.086 126 L CA 2.197 57.103 54.840 0.110 0.000 0.772 126 L CB -0.210 41.922 42.059 0.122 0.000 0.887 126 L HN 0.861 nan 8.230 nan 0.000 0.432 127 D N -2.862 117.645 120.400 0.179 0.000 2.652 127 D HA 0.324 4.964 4.640 -0.000 0.000 0.285 127 D C -1.576 174.897 176.300 0.287 0.000 1.173 127 D CA -0.599 53.520 54.000 0.199 0.000 0.981 127 D CB 0.475 41.360 40.800 0.142 0.000 1.440 127 D HN 0.090 nan 8.370 nan 0.000 0.485 128 D N -0.812 119.735 120.400 0.246 0.000 2.443 128 D HA 0.296 4.936 4.640 -0.000 0.000 0.221 128 D C 0.117 176.455 176.300 0.063 0.000 1.097 128 D CA -0.584 53.541 54.000 0.209 0.000 0.865 128 D CB 0.741 41.673 40.800 0.221 0.000 1.034 128 D HN 0.368 nan 8.370 nan 0.000 0.511 129 T N 0.217 114.780 114.554 0.014 0.000 3.244 129 T HA 0.098 4.448 4.350 -0.000 0.000 0.254 129 T C 1.171 175.813 174.700 -0.097 0.000 1.024 129 T CA -0.347 61.755 62.100 0.004 0.000 0.920 129 T CB 0.123 69.042 68.868 0.084 0.000 1.042 129 T HN 0.500 nan 8.240 nan 0.000 0.572 130 E N 1.932 122.048 120.200 -0.140 0.000 2.076 130 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 130 E C 1.028 177.557 176.600 -0.118 0.000 0.979 130 E CA 0.713 57.009 56.400 -0.173 0.000 0.807 130 E CB 0.179 29.741 29.700 -0.229 0.000 0.761 130 E HN 0.433 nan 8.360 nan 0.000 0.454 131 N N 0.104 118.755 118.700 -0.081 0.000 2.620 131 N HA 0.036 4.776 4.740 -0.000 0.000 0.277 131 N C -1.541 173.959 175.510 -0.016 0.000 1.726 131 N CA -0.042 52.977 53.050 -0.052 0.000 0.840 131 N CB 0.486 38.937 38.487 -0.059 0.000 1.379 131 N HN 0.016 nan 8.380 nan 0.000 0.506 132 S N -0.042 115.660 115.700 0.002 0.000 2.536 132 S HA -0.071 4.399 4.470 -0.000 0.000 0.294 132 S C 1.347 175.968 174.600 0.035 0.000 1.289 132 S CA 0.573 58.795 58.200 0.035 0.000 1.035 132 S CB 0.271 63.507 63.200 0.059 0.000 0.783 132 S HN 0.581 nan 8.310 nan 0.000 0.497 133 N N 2.239 120.966 118.700 0.044 0.000 2.220 133 N HA 0.052 4.791 4.740 -0.000 0.000 0.182 133 N C 0.724 176.262 175.510 0.047 0.000 1.023 133 N CA 0.380 53.453 53.050 0.038 0.000 0.856 133 N CB 0.048 38.556 38.487 0.035 0.000 0.997 133 N HN 0.414 nan 8.380 nan 0.000 0.429 134 K N -0.707 119.732 120.400 0.066 0.000 1.801 134 K HA 0.176 4.495 4.320 -0.000 0.000 0.309 134 K C -1.511 175.191 176.600 0.170 0.000 0.932 134 K CA -0.400 55.946 56.287 0.098 0.000 0.487 134 K CB 0.237 32.788 32.500 0.084 0.000 3.409 134 K HN -0.009 nan 8.250 nan 0.000 1.215 135 Y N 1.902 122.215 120.300 0.021 0.000 2.325 135 Y HA 0.394 4.944 4.550 -0.000 0.000 0.336 135 Y C -1.516 174.397 175.900 0.021 0.000 1.130 135 Y CA -0.798 57.315 58.100 0.022 0.000 1.264 135 Y CB 0.718 39.190 38.460 0.019 0.000 1.128 135 Y HN 0.098 nan 8.280 nan 0.000 0.469 136 V N 5.315 124.993 119.914 -0.393 0.000 2.607 136 V HA 0.544 4.664 4.120 -0.000 0.000 0.289 136 V C 1.217 176.894 176.094 -0.695 0.000 1.053 136 V CA 0.169 62.213 62.300 -0.426 0.000 0.996 136 V CB 1.166 32.879 31.823 -0.184 0.000 0.995 136 V HN 0.970 nan 8.190 nan 0.000 0.476 137 G N 3.178 111.642 108.800 -0.558 0.000 2.771 137 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.242 137 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.242 137 G C 0.123 174.893 174.900 -0.217 0.000 1.233 137 G CA -0.459 44.387 45.100 -0.423 0.000 0.858 137 G HN 0.865 nan 8.290 nan 0.000 0.591 138 N N 0.509 119.159 118.700 -0.085 0.000 2.068 138 N HA 0.000 4.740 4.740 -0.000 0.000 0.290 138 N C 1.197 176.690 175.510 -0.028 0.000 1.372 138 N CA 0.787 53.828 53.050 -0.017 0.000 0.863 138 N CB 0.187 38.682 38.487 0.014 0.000 1.174 138 N HN 0.708 nan 8.380 nan 0.000 0.494 139 S N 1.072 116.760 115.700 -0.020 0.000 2.731 139 S HA 0.197 4.667 4.470 -0.000 0.000 0.249 139 S C 1.225 175.820 174.600 -0.008 0.000 1.390 139 S CA -0.098 58.093 58.200 -0.015 0.000 0.964 139 S CB 0.147 63.346 63.200 -0.002 0.000 0.965 139 S HN 0.534 nan 8.310 nan 0.000 0.579 140 G N -0.775 108.022 108.800 -0.005 0.000 3.365 140 G HA2 0.543 4.503 3.960 -0.000 0.000 0.185 140 G HA3 0.543 4.503 3.960 -0.000 0.000 0.185 140 G C -0.650 174.250 174.900 -0.000 0.000 1.565 140 G CA -0.305 44.794 45.100 -0.002 0.000 0.984 140 G HN 0.773 nan 8.290 nan 0.000 0.604 141 T N 0.698 115.252 114.554 -0.000 0.000 2.885 141 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 141 T C -1.009 173.691 174.700 -0.000 0.000 1.019 141 T CA 0.101 62.200 62.100 -0.001 0.000 1.010 141 T CB 1.534 70.401 68.868 -0.001 0.000 1.022 141 T HN 0.509 nan 8.240 nan 0.000 0.466 142 D N 1.978 122.377 120.400 -0.002 0.000 3.400 142 D HA -0.153 4.487 4.640 -0.000 0.000 0.226 142 D C -0.190 176.111 176.300 0.002 0.000 1.152 142 D CA 0.485 54.484 54.000 -0.001 0.000 1.008 142 D CB -0.839 39.962 40.800 0.001 0.000 0.866 142 D HN 0.622 nan 8.370 nan 0.000 0.402 143 N N 1.323 120.024 118.700 0.003 0.000 2.321 143 N HA 0.122 4.862 4.740 -0.000 0.000 0.242 143 N C -0.045 175.468 175.510 0.005 0.000 1.141 143 N CA -0.448 52.606 53.050 0.007 0.000 0.864 143 N CB 0.536 39.031 38.487 0.014 0.000 1.100 143 N HN 0.205 nan 8.380 nan 0.000 0.510 144 R N 1.454 121.953 120.500 -0.001 0.000 2.543 144 R HA 0.190 4.530 4.340 -0.000 0.000 0.277 144 R C 0.225 176.527 176.300 0.005 0.000 1.074 144 R CA 0.114 56.209 56.100 -0.008 0.000 1.076 144 R CB 0.448 30.739 30.300 -0.015 0.000 0.993 144 R HN 0.423 nan 8.270 nan 0.000 0.459 145 E N 1.036 121.235 120.200 -0.001 0.000 2.416 145 E HA 0.271 4.621 4.350 -0.000 0.000 0.273 145 E C -1.144 175.467 176.600 0.019 0.000 0.935 145 E CA -1.086 55.318 56.400 0.007 0.000 0.784 145 E CB 1.500 31.196 29.700 -0.006 0.000 1.301 145 E HN 0.466 nan 8.360 nan 0.000 0.454 146 C N 2.215 121.530 119.300 0.025 0.000 2.576 146 C HA 0.585 5.045 4.460 -0.000 0.000 0.401 146 C C -0.274 174.725 174.990 0.014 0.000 1.314 146 C CA -0.067 58.971 59.018 0.034 0.000 1.855 146 C CB -1.683 26.073 27.740 0.027 0.000 2.537 146 C HN 0.574 nan 8.230 nan 0.000 0.578 147 I N 5.786 126.367 120.570 0.019 0.000 2.656 147 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 147 I C 0.160 176.292 176.117 0.025 0.000 1.144 147 I CA 0.086 61.388 61.300 0.003 0.000 1.038 147 I CB 2.533 40.503 38.000 -0.050 0.000 1.244 147 I HN 0.795 nan 8.210 nan 0.000 0.420 148 S N 6.381 122.093 115.700 0.021 0.000 2.786 148 S HA 0.957 5.427 4.470 -0.000 0.000 0.307 148 S C -0.510 174.118 174.600 0.046 0.000 1.121 148 S CA -0.662 57.547 58.200 0.015 0.000 0.975 148 S CB 2.278 65.479 63.200 0.002 0.000 1.220 148 S HN 0.724 nan 8.310 nan 0.000 0.550 149 M N -0.336 119.282 119.600 0.030 0.000 2.853 149 M HA 0.392 4.872 4.480 -0.000 0.000 0.273 149 M C -2.677 173.629 176.300 0.010 0.000 1.128 149 M CA -0.707 54.637 55.300 0.072 0.000 0.814 149 M CB 1.697 34.425 32.600 0.213 0.000 1.667 149 M HN 0.757 nan 8.290 nan 0.000 0.519 150 D N 1.796 122.220 120.400 0.040 0.000 2.381 150 D HA 0.401 5.041 4.640 -0.000 0.000 0.235 150 D C -0.898 175.489 176.300 0.145 0.000 1.068 150 D CA -0.211 53.798 54.000 0.014 0.000 0.832 150 D CB 0.892 41.694 40.800 0.002 0.000 1.101 150 D HN 0.676 nan 8.370 nan 0.000 0.515 151 Y N 0.606 120.932 120.300 0.043 0.000 2.321 151 Y HA -0.041 4.509 4.550 -0.000 0.000 0.353 151 Y C 1.639 177.542 175.900 0.005 0.000 1.276 151 Y CA -0.787 57.341 58.100 0.046 0.000 1.545 151 Y CB 0.991 39.510 38.460 0.098 0.000 1.377 151 Y HN 0.255 nan 8.280 nan 0.000 0.650 152 K N 2.443 122.949 120.400 0.177 0.000 2.379 152 K HA 0.004 4.324 4.320 -0.000 0.000 0.284 152 K C -0.511 176.152 176.600 0.106 0.000 1.044 152 K CA -0.415 55.914 56.287 0.069 0.000 0.974 152 K CB 0.713 33.228 32.500 0.026 0.000 0.962 152 K HN 0.685 nan 8.250 nan 0.000 0.474 153 Q N 2.997 122.843 119.800 0.077 0.000 2.274 153 Q HA 0.048 4.388 4.340 -0.000 0.000 0.280 153 Q C -1.193 174.849 176.000 0.070 0.000 1.047 153 Q CA 0.508 56.356 55.803 0.076 0.000 0.907 153 Q CB 0.630 29.403 28.738 0.059 0.000 1.171 153 Q HN 0.686 nan 8.270 nan 0.000 0.381 154 T N 4.038 118.633 114.554 0.068 0.000 2.956 154 T HA 0.349 4.699 4.350 -0.000 0.000 0.312 154 T C -1.105 173.614 174.700 0.032 0.000 1.151 154 T CA -0.841 61.291 62.100 0.054 0.000 1.024 154 T CB 1.609 70.517 68.868 0.068 0.000 1.140 154 T HN 0.602 nan 8.240 nan 0.000 0.473 155 Q N 2.392 122.189 119.800 -0.004 0.000 2.695 155 Q HA 0.490 4.830 4.340 -0.000 0.000 0.246 155 Q C -1.012 174.968 176.000 -0.035 0.000 0.961 155 Q CA -0.578 55.178 55.803 -0.078 0.000 0.708 155 Q CB 1.331 29.934 28.738 -0.225 0.000 1.282 155 Q HN 0.669 nan 8.270 nan 0.000 0.482 156 L N -1.455 119.834 121.223 0.110 0.000 2.279 156 L HA 1.011 5.351 4.340 -0.000 0.000 0.262 156 L C -0.705 176.366 176.870 0.335 0.000 1.019 156 L CA -0.943 54.002 54.840 0.175 0.000 0.823 156 L CB 2.191 44.352 42.059 0.169 0.000 1.358 156 L HN 0.470 nan 8.230 nan 0.000 0.432 157 C N 1.583 121.068 119.300 0.308 0.000 3.094 157 C HA 0.742 5.202 4.460 -0.000 0.000 0.414 157 C C -1.674 173.503 174.990 0.311 0.000 0.993 157 C CA -0.579 58.662 59.018 0.371 0.000 1.217 157 C CB 0.284 28.363 27.740 0.564 0.000 1.603 157 C HN 0.922 nan 8.230 nan 0.000 0.564 158 L N 6.392 127.792 121.223 0.296 0.000 2.436 158 L HA 0.780 5.120 4.340 -0.000 0.000 0.268 158 L C -0.694 176.345 176.870 0.282 0.000 0.974 158 L CA -0.729 54.274 54.840 0.272 0.000 0.826 158 L CB 1.740 43.885 42.059 0.142 0.000 1.291 158 L HN 0.454 nan 8.230 nan 0.000 0.406 159 I N 1.976 122.756 120.570 0.349 0.000 2.410 159 I HA 0.786 4.956 4.170 -0.000 0.000 0.286 159 I C 0.298 176.497 176.117 0.138 0.000 1.009 159 I CA -0.152 61.370 61.300 0.369 0.000 1.111 159 I CB 1.341 39.660 38.000 0.533 0.000 1.262 159 I HN 0.793 nan 8.210 nan 0.000 0.443 160 G N 3.336 112.100 108.800 -0.061 0.000 2.695 160 G HA2 0.414 4.374 3.960 -0.000 0.000 0.290 160 G HA3 0.414 4.374 3.960 -0.000 0.000 0.290 160 G C 0.128 174.933 174.900 -0.158 0.000 1.410 160 G CA -0.439 44.281 45.100 -0.633 0.000 0.844 160 G HN 0.699 nan 8.290 nan 0.000 0.478 161 C N -0.889 118.300 119.300 -0.184 0.000 2.697 161 C HA 0.597 5.057 4.460 -0.000 0.000 0.267 161 C C 0.721 175.859 174.990 0.247 0.000 1.278 161 C CA -0.691 58.470 59.018 0.238 0.000 1.708 161 C CB -1.545 26.399 27.740 0.340 0.000 1.860 161 C HN 0.488 nan 8.230 nan 0.000 0.589 162 R N 1.060 121.555 120.500 -0.008 0.000 2.867 162 R HA 0.542 4.882 4.340 -0.000 0.000 0.268 162 R C -2.960 172.834 176.300 -0.843 0.000 1.014 162 R CA -1.680 54.233 56.100 -0.312 0.000 0.946 162 R CB 1.372 31.558 30.300 -0.191 0.000 1.208 162 R HN 0.040 nan 8.270 nan 0.000 0.477 163 P HA 0.095 nan 4.420 nan 0.000 0.271 163 P C -2.422 174.533 177.300 -0.574 0.000 1.216 163 P CA -1.065 61.274 63.100 -1.269 0.000 0.771 163 P CB 0.203 31.171 31.700 -1.220 0.000 0.864 164 P HA 0.100 nan 4.420 nan 0.000 0.271 164 P C 0.106 177.236 177.300 -0.285 0.000 1.233 164 P CA 0.094 63.018 63.100 -0.293 0.000 0.789 164 P CB 0.579 32.140 31.700 -0.231 0.000 0.951 165 I N -2.496 117.923 120.570 -0.252 0.000 2.822 165 I HA 0.845 5.015 4.170 -0.000 0.000 0.312 165 I C 0.038 176.012 176.117 -0.237 0.000 1.011 165 I CA -0.942 60.220 61.300 -0.230 0.000 1.105 165 I CB 1.996 39.891 38.000 -0.176 0.000 1.291 165 I HN 0.345 nan 8.210 nan 0.000 0.474 166 G N 2.393 111.074 108.800 -0.199 0.000 2.685 166 G HA2 0.676 4.636 3.960 -0.000 0.000 0.298 166 G HA3 0.676 4.636 3.960 -0.000 0.000 0.298 166 G C -1.626 173.227 174.900 -0.079 0.000 1.277 166 G CA -0.748 44.258 45.100 -0.156 0.000 0.986 166 G HN 0.895 nan 8.290 nan 0.000 0.487 167 E N -0.759 119.425 120.200 -0.027 0.000 2.293 167 E HA 0.646 4.996 4.350 -0.000 0.000 0.270 167 E C -1.254 175.320 176.600 -0.043 0.000 0.879 167 E CA -1.036 55.308 56.400 -0.093 0.000 0.756 167 E CB 2.282 31.906 29.700 -0.127 0.000 1.208 167 E HN 0.769 nan 8.360 nan 0.000 0.428 168 H N 0.933 119.865 119.070 -0.230 0.000 3.112 168 H HA 0.166 4.722 4.556 -0.000 0.000 0.347 168 H C -1.961 173.219 175.328 -0.245 0.000 1.188 168 H CA -1.142 54.805 56.048 -0.167 0.000 1.240 168 H CB 0.351 30.117 29.762 0.006 0.000 1.920 168 H HN 0.696 nan 8.280 nan 0.000 0.535 169 W N 2.915 124.245 121.300 0.049 0.000 2.485 169 W HA 0.489 5.149 4.660 -0.000 0.000 0.315 169 W C 0.760 177.296 176.519 0.029 0.000 1.304 169 W CA 0.374 57.706 57.345 -0.023 0.000 1.345 169 W CB 1.231 30.680 29.460 -0.018 0.000 1.368 169 W HN 0.784 nan 8.180 nan 0.000 0.497 170 G N 2.416 111.326 108.800 0.183 0.000 2.667 170 G HA2 0.404 4.364 3.960 -0.000 0.000 0.310 170 G HA3 0.404 4.364 3.960 -0.000 0.000 0.310 170 G C -1.358 173.631 174.900 0.148 0.000 1.259 170 G CA -1.136 44.067 45.100 0.171 0.000 1.019 170 G HN 0.293 nan 8.290 nan 0.000 0.496 171 K N 0.097 120.563 120.400 0.109 0.000 2.349 171 K HA 0.448 4.768 4.320 -0.000 0.000 0.289 171 K C 0.577 177.212 176.600 0.058 0.000 1.064 171 K CA -0.183 56.147 56.287 0.070 0.000 0.947 171 K CB 0.153 32.685 32.500 0.052 0.000 1.007 171 K HN 0.495 nan 8.250 nan 0.000 0.478 172 G N 2.157 110.989 108.800 0.053 0.000 2.477 172 G HA2 0.195 4.155 3.960 -0.000 0.000 0.304 172 G HA3 0.195 4.155 3.960 -0.000 0.000 0.304 172 G C -0.768 174.149 174.900 0.028 0.000 1.175 172 G CA -0.642 44.484 45.100 0.043 0.000 0.907 172 G HN 0.602 nan 8.290 nan 0.000 0.509 173 T N 3.061 117.628 114.554 0.023 0.000 2.729 173 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 173 T C -1.593 173.115 174.700 0.013 0.000 0.928 173 T CA -0.646 61.463 62.100 0.016 0.000 1.045 173 T CB 1.179 70.055 68.868 0.013 0.000 0.902 173 T HN 0.501 nan 8.240 nan 0.000 0.500 174 P HA 0.213 nan 4.420 nan 0.000 0.272 174 P C 0.265 177.569 177.300 0.006 0.000 1.230 174 P CA -0.512 62.593 63.100 0.007 0.000 0.788 174 P CB 0.683 32.385 31.700 0.004 0.000 0.949 175 S N 1.009 116.712 115.700 0.006 0.000 2.633 175 S HA 0.029 4.499 4.470 -0.000 0.000 0.257 175 S C 0.611 175.213 174.600 0.003 0.000 1.265 175 S CA -0.675 57.528 58.200 0.005 0.000 0.980 175 S CB -0.044 63.159 63.200 0.005 0.000 1.017 175 S HN 0.559 nan 8.310 nan 0.000 0.577 176 N N 1.474 120.175 118.700 0.003 0.000 2.406 176 N HA 0.389 5.129 4.740 -0.000 0.000 0.269 176 N C -0.102 175.409 175.510 0.002 0.000 1.210 176 N CA 0.668 53.719 53.050 0.002 0.000 0.966 176 N CB -0.288 38.201 38.487 0.002 0.000 1.293 176 N HN 0.792 nan 8.380 nan 0.000 0.491 177 A N 3.630 126.451 122.820 0.001 0.000 5.993 177 A HA 0.229 4.549 4.320 -0.000 0.000 0.146 177 A C -0.933 176.651 177.584 0.000 0.000 0.931 177 A CA -0.629 51.409 52.037 0.001 0.000 1.254 177 A CB 0.075 19.076 19.000 0.001 0.000 2.393 177 A HN 0.539 nan 8.150 nan 0.000 1.132 178 N N 1.524 120.224 118.700 -0.000 0.000 2.492 178 N HA 0.359 5.099 4.740 -0.000 0.000 0.260 178 N C -0.089 175.421 175.510 -0.000 0.000 1.215 178 N CA 0.005 53.055 53.050 -0.001 0.000 0.923 178 N CB 0.479 38.965 38.487 -0.001 0.000 1.092 178 N HN 0.579 nan 8.380 nan 0.000 0.448 179 Q N 2.047 121.847 119.800 -0.001 0.000 2.293 179 Q HA 0.098 4.438 4.340 -0.000 0.000 0.263 179 Q C -0.860 175.139 176.000 -0.001 0.000 1.002 179 Q CA -0.458 55.345 55.803 -0.001 0.000 0.910 179 Q CB 0.554 29.292 28.738 -0.000 0.000 1.185 179 Q HN 0.433 nan 8.270 nan 0.000 0.401 180 V N 6.939 126.852 119.914 -0.001 0.000 2.180 180 V HA -0.040 4.080 4.120 -0.000 0.000 0.238 180 V C 0.761 176.853 176.094 -0.003 0.000 1.337 180 V CA -0.120 62.178 62.300 -0.003 0.000 1.338 180 V CB -1.294 30.527 31.823 -0.003 0.000 1.431 180 V HN 0.644 nan 8.190 nan 0.000 0.498 181 K N 2.577 122.975 120.400 -0.003 0.000 2.397 181 K HA 0.300 4.620 4.320 -0.000 0.000 0.265 181 K C 0.365 176.962 176.600 -0.005 0.000 0.982 181 K CA 0.241 56.526 56.287 -0.003 0.000 0.931 181 K CB 0.518 33.016 32.500 -0.003 0.000 0.943 181 K HN 0.441 nan 8.250 nan 0.000 0.501 182 A N 0.792 123.609 122.820 -0.005 0.000 2.584 182 A HA 0.340 4.660 4.320 -0.000 0.000 0.239 182 A C 1.313 178.892 177.584 -0.008 0.000 1.043 182 A CA 1.050 53.084 52.037 -0.006 0.000 0.756 182 A CB -1.072 17.924 19.000 -0.005 0.000 0.963 182 A HN 1.261 nan 8.150 nan 0.000 0.511 183 G N 1.412 110.206 108.800 -0.010 0.000 2.697 183 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.200 183 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.200 183 G C 0.211 175.102 174.900 -0.014 0.000 1.106 183 G CA 0.120 45.213 45.100 -0.012 0.000 0.748 183 G HN 0.790 nan 8.290 nan 0.000 0.503 184 E N 0.540 120.733 120.200 -0.012 0.000 2.438 184 E HA 0.348 4.698 4.350 -0.000 0.000 0.261 184 E C 0.526 177.115 176.600 -0.018 0.000 1.103 184 E CA -0.067 56.325 56.400 -0.014 0.000 0.959 184 E CB 0.960 30.653 29.700 -0.011 0.000 0.958 184 E HN 0.687 nan 8.360 nan 0.000 0.447 185 C N 5.121 124.408 119.300 -0.022 0.000 2.303 185 C HA 0.408 4.868 4.460 -0.000 0.000 0.341 185 C C -1.965 173.010 174.990 -0.026 0.000 1.244 185 C CA -1.792 57.209 59.018 -0.029 0.000 1.765 185 C CB -0.538 27.179 27.740 -0.038 0.000 2.379 185 C HN 0.429 nan 8.230 nan 0.000 0.530 186 P HA 0.250 nan 4.420 nan 0.000 0.269 186 P C -2.559 174.733 177.300 -0.014 0.000 1.209 186 P CA -0.610 62.484 63.100 -0.011 0.000 0.776 186 P CB 0.136 31.834 31.700 -0.003 0.000 0.876 187 P HA 0.163 nan 4.420 nan 0.000 0.275 187 P C -0.497 176.813 177.300 0.017 0.000 1.228 187 P CA -0.196 62.901 63.100 -0.005 0.000 0.786 187 P CB 0.584 32.287 31.700 0.006 0.000 0.927 188 L N 1.613 122.845 121.223 0.016 0.000 2.375 188 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 188 L C 0.733 177.729 176.870 0.209 0.000 1.058 188 L CA -0.221 54.677 54.840 0.097 0.000 0.803 188 L CB 0.122 42.179 42.059 -0.003 0.000 1.212 188 L HN 0.572 nan 8.230 nan 0.000 0.451 189 E N 1.087 121.461 120.200 0.289 0.000 2.278 189 E HA 0.274 4.624 4.350 -0.000 0.000 0.272 189 E C -1.594 175.055 176.600 0.081 0.000 0.890 189 E CA -0.847 55.674 56.400 0.203 0.000 0.770 189 E CB 2.320 32.066 29.700 0.076 0.000 1.212 189 E HN 0.359 nan 8.360 nan 0.000 0.415 190 L N 5.639 126.792 121.223 -0.117 0.000 2.433 190 L HA 0.292 4.632 4.340 -0.000 0.000 0.275 190 L C -1.205 175.437 176.870 -0.380 0.000 1.128 190 L CA 0.428 54.917 54.840 -0.585 0.000 0.875 190 L CB 0.165 41.800 42.059 -0.706 0.000 1.171 190 L HN 0.515 nan 8.230 nan 0.000 0.463 191 L N 5.147 126.073 121.223 -0.496 0.000 2.334 191 L HA 0.524 4.864 4.340 -0.000 0.000 0.276 191 L C 0.099 176.774 176.870 -0.326 0.000 1.014 191 L CA -0.667 53.943 54.840 -0.384 0.000 0.815 191 L CB 1.458 43.241 42.059 -0.460 0.000 1.268 191 L HN 0.544 nan 8.230 nan 0.000 0.428 192 N N 0.554 119.150 118.700 -0.174 0.000 2.482 192 N HA 0.603 5.343 4.740 -0.000 0.000 0.279 192 N C -0.519 174.955 175.510 -0.059 0.000 1.182 192 N CA -0.163 52.813 53.050 -0.123 0.000 0.969 192 N CB 2.056 40.484 38.487 -0.099 0.000 1.201 192 N HN 0.677 nan 8.380 nan 0.000 0.523 193 T N -1.970 112.558 114.554 -0.043 0.000 2.830 193 T HA 0.323 4.673 4.350 -0.000 0.000 0.322 193 T C -1.133 173.499 174.700 -0.113 0.000 1.501 193 T CA -0.644 61.444 62.100 -0.020 0.000 1.036 193 T CB 0.337 69.243 68.868 0.063 0.000 1.379 193 T HN 0.026 nan 8.240 nan 0.000 0.493 194 V N 3.379 123.191 119.914 -0.170 0.000 2.811 194 V HA 0.373 4.492 4.120 -0.000 0.000 0.302 194 V C 0.401 176.322 176.094 -0.289 0.000 1.063 194 V CA -0.364 61.739 62.300 -0.328 0.000 1.088 194 V CB 0.920 32.297 31.823 -0.743 0.000 0.982 194 V HN 0.742 nan 8.190 nan 0.000 0.485 195 L N 5.141 126.190 121.223 -0.290 0.000 2.292 195 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 195 L C 0.079 176.898 176.870 -0.086 0.000 1.065 195 L CA 0.083 54.740 54.840 -0.304 0.000 0.806 195 L CB 1.017 42.825 42.059 -0.418 0.000 1.175 195 L HN 0.685 nan 8.230 nan 0.000 0.431 196 Q N 1.132 120.882 119.800 -0.083 0.000 2.484 196 Q HA 0.259 4.599 4.340 -0.000 0.000 0.285 196 Q C -1.340 174.716 176.000 0.094 0.000 1.097 196 Q CA -1.018 54.834 55.803 0.081 0.000 0.802 196 Q CB 2.692 31.375 28.738 -0.091 0.000 1.444 196 Q HN 0.512 nan 8.270 nan 0.000 0.429 197 D N -0.833 119.677 120.400 0.183 0.000 2.455 197 D HA 0.289 4.929 4.640 -0.000 0.000 0.241 197 D C 0.798 177.159 176.300 0.102 0.000 1.138 197 D CA 2.045 56.131 54.000 0.143 0.000 0.877 197 D CB 0.340 41.251 40.800 0.185 0.000 1.187 197 D HN 0.671 nan 8.370 nan 0.000 0.451 198 G N 2.732 111.608 108.800 0.127 0.000 2.176 198 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.232 198 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.232 198 G C -0.059 174.919 174.900 0.129 0.000 0.986 198 G CA -0.032 45.138 45.100 0.115 0.000 0.643 198 G HN 0.614 nan 8.290 nan 0.000 0.522 199 D N 1.078 121.564 120.400 0.143 0.000 2.362 199 D HA 0.482 5.122 4.640 -0.000 0.000 0.242 199 D C 1.084 177.610 176.300 0.377 0.000 1.132 199 D CA 0.124 54.214 54.000 0.151 0.000 0.907 199 D CB 0.529 41.290 40.800 -0.066 0.000 1.195 199 D HN 0.018 nan 8.370 nan 0.000 0.429 200 M N 1.254 121.023 119.600 0.282 0.000 2.216 200 M HA 0.198 4.678 4.480 -0.000 0.000 0.356 200 M C -0.169 176.387 176.300 0.427 0.000 1.205 200 M CA -0.967 54.508 55.300 0.291 0.000 1.122 200 M CB 0.878 33.570 32.600 0.153 0.000 1.571 200 M HN 0.062 nan 8.290 nan 0.000 0.464 201 V N 0.689 120.761 119.914 0.263 0.000 2.644 201 V HA 0.355 4.475 4.120 -0.000 0.000 0.295 201 V C 0.395 176.618 176.094 0.214 0.000 1.053 201 V CA -1.366 61.057 62.300 0.206 0.000 0.987 201 V CB 0.916 32.701 31.823 -0.063 0.000 1.006 201 V HN 0.940 nan 8.190 nan 0.000 0.472 202 D N 1.998 122.568 120.400 0.284 0.000 2.629 202 D HA -0.115 4.525 4.640 -0.000 0.000 0.228 202 D C 0.809 177.187 176.300 0.130 0.000 1.127 202 D CA 0.825 54.977 54.000 0.254 0.000 0.855 202 D CB 1.231 42.205 40.800 0.291 0.000 1.180 202 D HN 0.950 nan 8.370 nan 0.000 0.484 203 T N -1.472 113.094 114.554 0.020 0.000 3.129 203 T HA 0.456 4.806 4.350 -0.000 0.000 0.267 203 T C 1.267 175.848 174.700 -0.197 0.000 1.018 203 T CA 0.109 62.073 62.100 -0.226 0.000 0.903 203 T CB 0.037 68.288 68.868 -1.029 0.000 1.067 203 T HN 0.916 nan 8.240 nan 0.000 0.549 204 G N 0.826 109.587 108.800 -0.065 0.000 2.168 204 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.197 204 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.197 204 G C 0.087 174.822 174.900 -0.275 0.000 0.997 204 G CA -0.170 44.824 45.100 -0.177 0.000 0.658 204 G HN 0.506 nan 8.290 nan 0.000 0.513 205 F N 1.253 121.242 119.950 0.066 0.000 2.724 205 F HA 0.509 5.036 4.527 -0.000 0.000 0.310 205 F C 1.504 177.412 175.800 0.181 0.000 1.107 205 F CA 0.564 58.652 58.000 0.147 0.000 1.218 205 F CB 1.069 40.219 39.000 0.250 0.000 1.042 205 F HN 0.844 nan 8.300 nan 0.000 0.540 206 G N 1.225 110.194 108.800 0.281 0.000 2.828 206 G HA2 0.092 4.052 3.960 -0.000 0.000 0.463 206 G HA3 0.092 4.052 3.960 -0.000 0.000 0.463 206 G C -0.481 174.617 174.900 0.330 0.000 1.394 206 G CA -0.645 44.603 45.100 0.247 0.000 0.862 206 G HN 0.654 nan 8.290 nan 0.000 0.540 207 A N 0.558 123.566 122.820 0.313 0.000 2.478 207 A HA 0.770 5.090 4.320 -0.000 0.000 0.327 207 A C 0.601 178.401 177.584 0.360 0.000 1.431 207 A CA 0.860 53.104 52.037 0.345 0.000 1.014 207 A CB -0.446 18.733 19.000 0.298 0.000 1.143 207 A HN 1.904 nan 8.150 nan 0.000 0.532 208 M N 0.309 120.113 119.600 0.340 0.000 3.321 208 M HA 0.699 5.179 4.480 -0.000 0.000 0.314 208 M C -1.632 174.827 176.300 0.265 0.000 1.413 208 M CA -0.772 54.686 55.300 0.263 0.000 0.768 208 M CB 1.333 33.953 32.600 0.033 0.000 1.997 208 M HN 0.282 nan 8.290 nan 0.000 0.433 209 D N 0.335 120.839 120.400 0.174 0.000 2.389 209 D HA 0.363 5.003 4.640 -0.000 0.000 0.256 209 D C -0.450 175.945 176.300 0.158 0.000 1.239 209 D CA -0.533 53.583 54.000 0.193 0.000 0.925 209 D CB 0.524 41.415 40.800 0.151 0.000 1.145 209 D HN 0.509 nan 8.370 nan 0.000 0.542 210 F N 1.347 121.311 119.950 0.023 0.000 2.250 210 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 210 F C 2.436 178.230 175.800 -0.010 0.000 1.077 210 F CA 1.311 59.309 58.000 -0.003 0.000 1.348 210 F CB -0.709 38.272 39.000 -0.032 0.000 1.040 210 F HN 0.350 nan 8.300 nan 0.000 0.509 211 T N -2.343 112.317 114.554 0.175 0.000 2.851 211 T HA -0.134 4.216 4.350 -0.000 0.000 0.262 211 T C 2.036 176.774 174.700 0.063 0.000 1.043 211 T CA 1.675 63.832 62.100 0.096 0.000 1.140 211 T CB -0.838 68.072 68.868 0.071 0.000 0.872 211 T HN 0.405 nan 8.240 nan 0.000 0.446 212 T N -0.669 113.923 114.554 0.064 0.000 3.057 212 T HA 0.235 4.585 4.350 -0.000 0.000 0.254 212 T C 1.638 176.350 174.700 0.020 0.000 1.094 212 T CA -0.032 62.093 62.100 0.042 0.000 1.088 212 T CB -0.213 68.688 68.868 0.055 0.000 0.934 212 T HN 0.067 nan 8.240 nan 0.000 0.497 213 L N 0.719 121.943 121.223 0.002 0.000 2.357 213 L HA 0.404 4.744 4.340 -0.000 0.000 0.211 213 L C 1.081 177.917 176.870 -0.057 0.000 1.075 213 L CA 0.988 55.804 54.840 -0.040 0.000 0.830 213 L CB -0.335 41.672 42.059 -0.087 0.000 0.996 213 L HN 0.385 nan 8.230 nan 0.000 0.467 214 Q N -0.598 119.178 119.800 -0.040 0.000 2.509 214 Q HA 0.421 4.761 4.340 -0.000 0.000 0.236 214 Q C 0.944 176.935 176.000 -0.016 0.000 1.073 214 Q CA 0.101 55.882 55.803 -0.037 0.000 0.867 214 Q CB 1.374 30.094 28.738 -0.030 0.000 1.181 214 Q HN 0.196 nan 8.270 nan 0.000 0.526 215 A N 3.530 126.335 122.820 -0.025 0.000 1.858 215 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 215 A C 1.827 179.397 177.584 -0.022 0.000 1.190 215 A CA 1.949 53.975 52.037 -0.017 0.000 0.617 215 A CB -0.483 18.506 19.000 -0.019 0.000 0.827 215 A HN 0.817 nan 8.150 nan 0.000 0.443 216 N N 1.298 119.974 118.700 -0.040 0.000 2.503 216 N HA -0.248 4.492 4.740 -0.000 0.000 0.189 216 N C 0.520 176.002 175.510 -0.046 0.000 1.048 216 N CA 1.483 54.504 53.050 -0.048 0.000 0.905 216 N CB -0.859 37.585 38.487 -0.072 0.000 0.951 216 N HN 0.732 nan 8.380 nan 0.000 0.446 217 K N -1.016 119.362 120.400 -0.036 0.000 3.415 217 K HA -0.194 4.126 4.320 -0.000 0.000 0.271 217 K C -0.602 175.960 176.600 -0.063 0.000 0.876 217 K CA 0.983 57.261 56.287 -0.016 0.000 0.670 217 K CB -2.269 30.247 32.500 0.026 0.000 1.510 217 K HN 0.194 nan 8.250 nan 0.000 0.455 218 S N 0.271 115.839 115.700 -0.221 0.000 2.960 218 S HA 0.052 4.522 4.470 -0.000 0.000 0.256 218 S C -0.476 173.733 174.600 -0.652 0.000 1.017 218 S CA 0.041 57.901 58.200 -0.567 0.000 1.144 218 S CB 0.440 63.416 63.200 -0.374 0.000 1.109 218 S HN 0.675 nan 8.310 nan 0.000 0.638 219 D N 1.465 121.609 120.400 -0.427 0.000 2.772 219 D HA 0.370 5.010 4.640 -0.000 0.000 0.272 219 D C -0.203 175.777 176.300 -0.533 0.000 1.314 219 D CA -0.471 53.247 54.000 -0.470 0.000 0.835 219 D CB 0.399 40.927 40.800 -0.454 0.000 1.080 219 D HN 0.138 nan 8.370 nan 0.000 0.482 220 V N -4.683 114.965 119.914 -0.443 0.000 3.036 220 V HA 0.501 4.621 4.120 -0.000 0.000 0.288 220 V C -3.063 172.934 176.094 -0.163 0.000 1.407 220 V CA -2.122 59.895 62.300 -0.472 0.000 0.983 220 V CB 1.662 33.166 31.823 -0.533 0.000 1.128 220 V HN -0.248 nan 8.190 nan 0.000 0.439 221 P HA 0.181 nan 4.420 nan 0.000 0.270 221 P C 0.956 178.255 177.300 -0.001 0.000 1.221 221 P CA -0.179 62.940 63.100 0.030 0.000 0.788 221 P CB 0.486 32.199 31.700 0.022 0.000 0.904 222 L N 1.763 122.938 121.223 -0.080 0.000 2.083 222 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 222 L C 1.733 178.622 176.870 0.032 0.000 1.083 222 L CA 2.152 56.982 54.840 -0.017 0.000 0.752 222 L CB -1.902 40.155 42.059 -0.003 0.000 0.899 222 L HN 0.481 nan 8.230 nan 0.000 0.433 223 D N -0.019 120.390 120.400 0.015 0.000 2.309 223 D HA -0.206 4.434 4.640 -0.000 0.000 0.212 223 D C 1.779 178.106 176.300 0.045 0.000 0.968 223 D CA 1.232 55.298 54.000 0.111 0.000 0.882 223 D CB -0.386 40.520 40.800 0.176 0.000 0.918 223 D HN 0.612 nan 8.370 nan 0.000 0.503 224 I N -2.232 118.300 120.570 -0.064 0.000 4.323 224 I HA 0.192 4.362 4.170 -0.000 0.000 0.328 224 I C 1.927 177.774 176.117 -0.450 0.000 1.310 224 I CA -0.236 60.887 61.300 -0.294 0.000 1.186 224 I CB 0.004 37.695 38.000 -0.515 0.000 1.130 224 I HN 0.107 nan 8.210 nan 0.000 0.411 225 C N 1.576 120.718 119.300 -0.263 0.000 2.409 225 C HA 0.048 4.508 4.460 -0.000 0.000 0.288 225 C C 2.085 177.078 174.990 0.006 0.000 1.395 225 C CA 0.651 59.592 59.018 -0.129 0.000 1.792 225 C CB -1.921 25.811 27.740 -0.013 0.000 1.847 225 C HN 0.721 nan 8.230 nan 0.000 0.534 226 S N -0.668 115.031 115.700 -0.001 0.000 2.809 226 S HA 0.525 4.995 4.470 -0.000 0.000 0.248 226 S C 0.061 174.683 174.600 0.037 0.000 1.071 226 S CA -0.060 58.163 58.200 0.039 0.000 1.059 226 S CB -0.030 63.190 63.200 0.032 0.000 0.923 226 S HN 0.602 nan 8.310 nan 0.000 0.516 227 S N 0.699 116.411 115.700 0.020 0.000 3.605 227 S HA 0.689 5.159 4.470 -0.000 0.000 0.301 227 S C -1.105 173.541 174.600 0.076 0.000 1.083 227 S CA -0.852 57.363 58.200 0.025 0.000 1.109 227 S CB 0.604 63.804 63.200 0.002 0.000 1.364 227 S HN 0.427 nan 8.310 nan 0.000 0.758 228 I N 1.130 121.727 120.570 0.045 0.000 2.500 228 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 228 I C -1.282 174.900 176.117 0.108 0.000 1.063 228 I CA -0.395 60.947 61.300 0.069 0.000 1.062 228 I CB 1.471 39.365 38.000 -0.177 0.000 1.223 228 I HN 0.470 nan 8.210 nan 0.000 0.435 229 C N 6.400 125.862 119.300 0.270 0.000 2.373 229 C HA 0.306 4.766 4.460 -0.000 0.000 0.354 229 C C 0.719 175.887 174.990 0.296 0.000 1.249 229 C CA -0.670 58.511 59.018 0.270 0.000 1.784 229 C CB -0.734 27.203 27.740 0.329 0.000 2.408 229 C HN 0.636 nan 8.230 nan 0.000 0.542 230 K N 2.088 122.658 120.400 0.284 0.000 2.106 230 K HA 0.511 4.831 4.320 -0.000 0.000 0.246 230 K C -1.075 175.764 176.600 0.397 0.000 0.987 230 K CA -0.490 55.943 56.287 0.243 0.000 0.904 230 K CB 1.435 33.923 32.500 -0.019 0.000 1.071 230 K HN 0.657 nan 8.250 nan 0.000 0.453 231 Y N 1.080 121.490 120.300 0.182 0.000 2.386 231 Y HA 0.267 4.817 4.550 -0.000 0.000 0.334 231 Y C -2.714 173.222 175.900 0.060 0.000 1.002 231 Y CA -2.462 55.753 58.100 0.193 0.000 1.068 231 Y CB 1.780 40.330 38.460 0.150 0.000 1.203 231 Y HN 0.396 nan 8.280 nan 0.000 0.443 232 P HA -0.040 nan 4.420 nan 0.000 0.264 232 P C -0.515 176.482 177.300 -0.506 0.000 1.183 232 P CA 0.451 63.183 63.100 -0.613 0.000 0.763 232 P CB 0.570 31.633 31.700 -1.061 0.000 0.807 233 D N 2.719 122.923 120.400 -0.326 0.000 2.845 233 D HA 0.015 4.655 4.640 -0.000 0.000 0.235 233 D C 0.806 177.004 176.300 -0.170 0.000 1.158 233 D CA -0.105 53.804 54.000 -0.153 0.000 0.990 233 D CB -0.649 40.083 40.800 -0.113 0.000 1.094 233 D HN 0.297 nan 8.370 nan 0.000 0.486 234 Y N 0.503 120.732 120.300 -0.118 0.000 1.997 234 Y HA -0.337 4.213 4.550 -0.000 0.000 0.265 234 Y C 2.463 178.283 175.900 -0.133 0.000 1.193 234 Y CA 1.229 59.207 58.100 -0.203 0.000 1.106 234 Y CB -0.326 38.010 38.460 -0.207 0.000 0.940 234 Y HN 0.237 nan 8.280 nan 0.000 0.494 235 L N -0.063 121.234 121.223 0.123 0.000 2.021 235 L HA -0.358 3.982 4.340 -0.000 0.000 0.215 235 L C 2.585 179.468 176.870 0.021 0.000 1.074 235 L CA 2.105 56.983 54.840 0.064 0.000 0.760 235 L CB -0.508 41.590 42.059 0.066 0.000 0.889 235 L HN 0.288 nan 8.230 nan 0.000 0.433 236 K N -0.097 120.299 120.400 -0.006 0.000 1.984 236 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 236 K C 2.179 178.764 176.600 -0.025 0.000 1.046 236 K CA 1.499 57.772 56.287 -0.024 0.000 0.934 236 K CB -0.098 32.373 32.500 -0.049 0.000 0.717 236 K HN 0.144 nan 8.250 nan 0.000 0.438 237 M N 0.480 120.046 119.600 -0.058 0.000 2.106 237 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 237 M C 2.115 178.404 176.300 -0.018 0.000 1.068 237 M CA 1.469 56.730 55.300 -0.066 0.000 1.100 237 M CB -0.291 32.225 32.600 -0.139 0.000 1.351 237 M HN 0.021 nan 8.290 nan 0.000 0.404 238 V N -0.982 118.927 119.914 -0.009 0.000 2.515 238 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 238 V C 1.998 178.131 176.094 0.065 0.000 1.058 238 V CA 1.649 63.973 62.300 0.039 0.000 1.064 238 V CB -0.427 31.424 31.823 0.046 0.000 0.675 238 V HN 0.387 nan 8.190 nan 0.000 0.461 239 S N -0.978 114.750 115.700 0.047 0.000 2.605 239 S HA 0.058 4.528 4.470 -0.000 0.000 0.217 239 S C 0.818 175.449 174.600 0.052 0.000 0.958 239 S CA -0.154 58.077 58.200 0.052 0.000 0.919 239 S CB -0.320 62.901 63.200 0.036 0.000 0.780 239 S HN 0.743 nan 8.310 nan 0.000 0.507 240 E N 2.712 122.947 120.200 0.057 0.000 2.354 240 E HA 0.087 4.437 4.350 -0.000 0.000 0.269 240 E C -1.494 175.159 176.600 0.088 0.000 1.036 240 E CA -1.600 54.834 56.400 0.057 0.000 0.876 240 E CB 0.909 30.644 29.700 0.059 0.000 1.009 240 E HN 0.058 nan 8.360 nan 0.000 0.416 241 P HA -0.185 nan 4.420 nan 0.000 0.215 241 P C 1.023 178.332 177.300 0.014 0.000 1.157 241 P CA 1.421 64.494 63.100 -0.045 0.000 0.863 241 P CB -0.085 31.465 31.700 -0.250 0.000 0.787 242 Y N 0.337 120.706 120.300 0.116 0.000 2.206 242 Y HA 0.133 4.683 4.550 -0.000 0.000 0.292 242 Y C 1.599 177.658 175.900 0.264 0.000 1.123 242 Y CA 0.748 58.949 58.100 0.168 0.000 1.142 242 Y CB -0.739 37.780 38.460 0.099 0.000 1.006 242 Y HN 0.048 nan 8.280 nan 0.000 0.518 243 G N 1.284 110.298 108.800 0.357 0.000 2.422 243 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.290 243 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.290 243 G C -0.268 174.793 174.900 0.268 0.000 1.059 243 G CA 0.446 45.708 45.100 0.270 0.000 1.242 243 G HN 0.399 nan 8.290 nan 0.000 0.520 244 D N 0.266 120.768 120.400 0.170 0.000 2.388 244 D HA 0.083 4.723 4.640 -0.000 0.000 0.208 244 D C 2.308 178.505 176.300 -0.172 0.000 1.035 244 D CA 0.479 54.531 54.000 0.085 0.000 0.875 244 D CB -0.019 40.874 40.800 0.156 0.000 0.984 244 D HN 0.433 nan 8.370 nan 0.000 0.508 245 M N 0.673 120.206 119.600 -0.110 0.000 2.082 245 M HA -0.126 4.354 4.480 -0.000 0.000 0.258 245 M C -0.223 175.911 176.300 -0.277 0.000 1.071 245 M CA 1.600 56.793 55.300 -0.179 0.000 1.103 245 M CB -0.014 32.517 32.600 -0.116 0.000 1.307 245 M HN 0.065 nan 8.290 nan 0.000 0.409 246 L N -3.614 117.459 121.223 -0.251 0.000 2.565 246 L HA 0.419 4.759 4.340 -0.000 0.000 0.261 246 L C -1.099 175.740 176.870 -0.052 0.000 0.932 246 L CA -0.872 53.814 54.840 -0.256 0.000 0.878 246 L CB 0.672 42.696 42.059 -0.058 0.000 1.333 246 L HN 0.162 nan 8.230 nan 0.000 0.409 247 F N 1.201 121.296 119.950 0.243 0.000 2.735 247 F HA 0.797 5.324 4.527 -0.000 0.000 0.304 247 F C -0.456 175.557 175.800 0.354 0.000 1.119 247 F CA -1.668 56.488 58.000 0.260 0.000 1.280 247 F CB -0.183 38.952 39.000 0.224 0.000 0.994 247 F HN 0.442 nan 8.300 nan 0.000 0.520 248 F N 1.528 121.736 119.950 0.430 0.000 2.714 248 F HA 0.510 5.037 4.527 -0.000 0.000 0.313 248 F C -2.020 173.950 175.800 0.284 0.000 1.104 248 F CA -1.652 56.502 58.000 0.256 0.000 1.005 248 F CB 0.804 39.941 39.000 0.227 0.000 1.268 248 F HN 0.126 nan 8.300 nan 0.000 0.449 249 Y N 3.451 123.428 120.300 -0.539 0.000 2.732 249 Y HA 0.785 5.335 4.550 -0.000 0.000 0.342 249 Y C -2.511 173.118 175.900 -0.451 0.000 1.203 249 Y CA -1.897 56.027 58.100 -0.294 0.000 1.092 249 Y CB 1.280 39.750 38.460 0.016 0.000 1.345 249 Y HN 0.593 nan 8.280 nan 0.000 0.458 250 L N 2.938 124.052 121.223 -0.181 0.000 2.639 250 L HA 0.626 4.966 4.340 -0.000 0.000 0.264 250 L C -1.016 175.843 176.870 -0.017 0.000 0.948 250 L CA -0.846 53.831 54.840 -0.271 0.000 0.912 250 L CB 2.327 44.188 42.059 -0.330 0.000 1.294 250 L HN 0.819 nan 8.230 nan 0.000 0.412 251 R N 1.486 121.985 120.500 -0.001 0.000 2.668 251 R HA 0.922 5.262 4.340 -0.000 0.000 0.279 251 R C -0.398 175.885 176.300 -0.028 0.000 0.976 251 R CA -1.034 55.088 56.100 0.036 0.000 0.978 251 R CB 1.860 32.176 30.300 0.027 0.000 1.133 251 R HN 0.515 nan 8.270 nan 0.000 0.484 252 R N 1.045 121.535 120.500 -0.016 0.000 3.033 252 R HA 0.083 4.423 4.340 -0.000 0.000 0.236 252 R C -1.323 174.980 176.300 0.004 0.000 1.774 252 R CA -0.208 55.874 56.100 -0.030 0.000 1.401 252 R CB 0.648 30.901 30.300 -0.078 0.000 1.539 252 R HN 0.941 nan 8.270 nan 0.000 0.618 253 E N 2.461 122.684 120.200 0.038 0.000 2.222 253 E HA 0.455 4.805 4.350 -0.000 0.000 0.267 253 E C -1.111 175.524 176.600 0.057 0.000 0.963 253 E CA -0.915 55.524 56.400 0.066 0.000 0.837 253 E CB 2.183 31.954 29.700 0.119 0.000 1.183 253 E HN 0.481 nan 8.360 nan 0.000 0.403 254 Q N 1.606 121.444 119.800 0.063 0.000 2.617 254 Q HA 0.479 4.819 4.340 -0.000 0.000 0.270 254 Q C -1.260 174.781 176.000 0.069 0.000 0.967 254 Q CA -0.980 54.863 55.803 0.067 0.000 0.887 254 Q CB 1.722 30.498 28.738 0.064 0.000 1.516 254 Q HN 0.686 nan 8.270 nan 0.000 0.395 255 M N 1.929 121.581 119.600 0.086 0.000 3.019 255 M HA 0.551 5.031 4.480 -0.000 0.000 0.256 255 M C -2.247 174.124 176.300 0.118 0.000 0.911 255 M CA -0.557 54.770 55.300 0.045 0.000 0.794 255 M CB 1.516 34.105 32.600 -0.019 0.000 1.643 255 M HN 0.995 nan 8.290 nan 0.000 0.572 256 F N 1.098 121.057 119.950 0.015 0.000 2.675 256 F HA 0.840 5.367 4.527 -0.000 0.000 0.324 256 F C -0.941 174.857 175.800 -0.004 0.000 1.106 256 F CA -1.075 56.925 58.000 -0.000 0.000 0.970 256 F CB 0.595 39.595 39.000 -0.001 0.000 1.385 256 F HN 0.343 nan 8.300 nan 0.000 0.489 257 V N 2.472 122.573 119.914 0.313 0.000 2.341 257 V HA 0.240 4.360 4.120 -0.000 0.000 0.248 257 V C 1.349 177.618 176.094 0.292 0.000 1.107 257 V CA -0.159 62.241 62.300 0.167 0.000 1.069 257 V CB -0.350 31.538 31.823 0.109 0.000 1.177 257 V HN 0.959 nan 8.190 nan 0.000 0.492 258 R N 3.255 123.787 120.500 0.053 0.000 2.070 258 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 258 R C 0.565 177.116 176.300 0.417 0.000 1.138 258 R CA 1.723 57.986 56.100 0.272 0.000 0.936 258 R CB -0.175 30.168 30.300 0.072 0.000 0.839 258 R HN 0.789 nan 8.270 nan 0.000 0.429 259 H N -2.088 116.926 119.070 -0.093 0.000 2.855 259 H HA 0.479 5.035 4.556 -0.000 0.000 0.363 259 H C -1.149 173.881 175.328 -0.496 0.000 1.185 259 H CA -0.823 55.023 56.048 -0.336 0.000 1.174 259 H CB 1.319 30.727 29.762 -0.591 0.000 1.857 259 H HN 0.024 nan 8.280 nan 0.000 0.565 260 L N 2.007 122.905 121.223 -0.542 0.000 2.280 260 L HA 0.441 4.781 4.340 -0.000 0.000 0.287 260 L C -0.812 175.625 176.870 -0.722 0.000 1.023 260 L CA -0.184 54.340 54.840 -0.526 0.000 0.819 260 L CB 0.305 42.168 42.059 -0.326 0.000 1.212 260 L HN 0.314 nan 8.230 nan 0.000 0.420 261 F N 0.728 120.463 119.950 -0.358 0.000 2.613 261 F HA 0.462 4.989 4.527 -0.000 0.000 0.342 261 F C 0.341 176.060 175.800 -0.134 0.000 1.066 261 F CA -0.773 56.999 58.000 -0.379 0.000 1.002 261 F CB 1.599 40.120 39.000 -0.799 0.000 1.319 261 F HN 0.410 nan 8.300 nan 0.000 0.495 262 N N 0.735 119.605 118.700 0.284 0.000 2.399 262 N HA 0.291 5.031 4.740 -0.000 0.000 0.280 262 N C -0.856 174.849 175.510 0.325 0.000 1.008 262 N CA -0.769 52.451 53.050 0.283 0.000 0.894 262 N CB 1.066 39.685 38.487 0.221 0.000 1.273 262 N HN 0.380 nan 8.380 nan 0.000 0.486 263 R N 1.104 121.809 120.500 0.341 0.000 2.726 263 R HA 0.450 4.790 4.340 -0.000 0.000 0.272 263 R C -0.210 176.158 176.300 0.113 0.000 1.097 263 R CA -0.163 56.093 56.100 0.260 0.000 1.198 263 R CB 0.717 31.114 30.300 0.162 0.000 1.114 263 R HN 0.503 nan 8.270 nan 0.000 0.550 264 A N -0.622 122.236 122.820 0.064 0.000 2.344 264 A HA 0.776 5.096 4.320 -0.000 0.000 0.307 264 A C -0.088 177.499 177.584 0.003 0.000 1.151 264 A CA -0.088 51.967 52.037 0.030 0.000 0.842 264 A CB 1.521 20.535 19.000 0.024 0.000 1.350 264 A HN 0.821 nan 8.150 nan 0.000 0.459 265 G N -0.879 107.920 108.800 -0.002 0.000 2.663 265 G HA2 0.369 4.329 3.960 -0.000 0.000 0.686 265 G HA3 0.369 4.329 3.960 -0.000 0.000 0.686 265 G C -0.038 174.856 174.900 -0.011 0.000 1.288 265 G CA 0.044 45.138 45.100 -0.011 0.000 0.836 265 G HN 2.252 nan 8.290 nan 0.000 0.584 266 T N -2.143 112.404 114.554 -0.012 0.000 2.918 266 T HA 0.535 4.885 4.350 -0.000 0.000 0.302 266 T C 0.535 175.223 174.700 -0.021 0.000 1.045 266 T CA -0.062 62.030 62.100 -0.013 0.000 1.114 266 T CB 1.599 70.461 68.868 -0.009 0.000 0.965 266 T HN 1.516 nan 8.240 nan 0.000 0.540 267 V N 4.144 124.043 119.914 -0.025 0.000 2.389 267 V HA 0.372 4.492 4.120 -0.000 0.000 0.264 267 V C 1.820 177.899 176.094 -0.025 0.000 1.049 267 V CA 0.126 62.406 62.300 -0.033 0.000 0.932 267 V CB 0.091 31.887 31.823 -0.045 0.000 1.011 267 V HN 1.206 nan 8.190 nan 0.000 0.475 268 G N 4.744 113.528 108.800 -0.026 0.000 2.628 268 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 268 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 268 G C 0.531 175.421 174.900 -0.017 0.000 1.240 268 G CA 0.322 45.409 45.100 -0.021 0.000 0.792 268 G HN 0.738 nan 8.290 nan 0.000 0.593 269 E N 1.666 121.854 120.200 -0.021 0.000 1.963 269 E HA 0.329 4.679 4.350 -0.000 0.000 0.274 269 E C -0.117 176.476 176.600 -0.012 0.000 1.061 269 E CA -0.319 56.073 56.400 -0.015 0.000 0.847 269 E CB 0.509 30.198 29.700 -0.019 0.000 1.083 269 E HN 0.353 nan 8.360 nan 0.000 0.402 270 T N -1.019 113.534 114.554 -0.002 0.000 2.926 270 T HA 0.127 4.477 4.350 -0.000 0.000 0.307 270 T C 0.725 175.437 174.700 0.020 0.000 1.059 270 T CA -0.969 61.134 62.100 0.005 0.000 1.122 270 T CB 0.823 69.703 68.868 0.020 0.000 0.972 270 T HN 0.058 nan 8.240 nan 0.000 0.545 271 V N 4.026 123.950 119.914 0.016 0.000 2.617 271 V HA 0.126 4.246 4.120 -0.000 0.000 0.304 271 V C -1.785 174.404 176.094 0.158 0.000 1.040 271 V CA -1.322 61.009 62.300 0.052 0.000 1.149 271 V CB -0.812 30.996 31.823 -0.025 0.000 0.914 271 V HN 0.815 nan 8.190 nan 0.000 0.487 272 P HA 0.182 nan 4.420 nan 0.000 0.267 272 P C 0.552 177.970 177.300 0.197 0.000 1.209 272 P CA 0.066 63.243 63.100 0.129 0.000 0.763 272 P CB 0.843 32.591 31.700 0.080 0.000 0.816 273 A N 3.683 126.545 122.820 0.070 0.000 2.172 273 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 273 A C 1.367 178.727 177.584 -0.373 0.000 1.154 273 A CA 1.356 53.264 52.037 -0.215 0.000 0.701 273 A CB -0.628 18.265 19.000 -0.179 0.000 0.789 273 A HN 0.630 nan 8.150 nan 0.000 0.465 274 D N -0.855 119.465 120.400 -0.133 0.000 2.340 274 D HA 0.074 4.714 4.640 -0.000 0.000 0.217 274 D C 1.166 177.450 176.300 -0.026 0.000 1.081 274 D CA -0.019 53.921 54.000 -0.099 0.000 0.842 274 D CB -0.095 40.676 40.800 -0.049 0.000 0.934 274 D HN 0.465 nan 8.370 nan 0.000 0.511 275 L N -0.324 120.937 121.223 0.064 0.000 2.585 275 L HA 0.169 4.509 4.340 -0.000 0.000 0.226 275 L C -0.179 176.842 176.870 0.251 0.000 1.113 275 L CA -0.059 54.874 54.840 0.154 0.000 0.876 275 L CB 0.055 42.230 42.059 0.193 0.000 1.072 275 L HN 0.108 nan 8.230 nan 0.000 0.468 276 Y N -3.400 116.897 120.300 -0.004 0.000 2.670 276 Y HA 0.550 5.100 4.550 -0.000 0.000 0.334 276 Y C -0.865 175.028 175.900 -0.011 0.000 1.185 276 Y CA -1.558 56.537 58.100 -0.008 0.000 1.053 276 Y CB 0.803 39.257 38.460 -0.009 0.000 1.298 276 Y HN -0.263 nan 8.280 nan 0.000 0.459 277 I N 3.450 124.045 120.570 0.042 0.000 2.297 277 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 277 I C -0.236 175.909 176.117 0.047 0.000 1.033 277 I CA -0.925 60.351 61.300 -0.040 0.000 1.253 277 I CB 1.026 39.032 38.000 0.010 0.000 1.396 277 I HN 0.488 nan 8.210 nan 0.000 0.476 278 K N 5.341 125.697 120.400 -0.073 0.000 2.364 278 K HA -0.077 4.243 4.320 -0.000 0.000 0.265 278 K C 0.399 177.035 176.600 0.060 0.000 1.189 278 K CA 0.064 56.364 56.287 0.022 0.000 1.224 278 K CB -0.016 32.461 32.500 -0.038 0.000 0.813 278 K HN 0.847 nan 8.250 nan 0.000 0.490 279 G N 2.791 111.651 108.800 0.101 0.000 2.320 279 G HA2 0.092 4.052 3.960 -0.000 0.000 0.300 279 G HA3 0.092 4.052 3.960 -0.000 0.000 0.300 279 G C 0.278 175.188 174.900 0.017 0.000 1.126 279 G CA -0.415 44.705 45.100 0.032 0.000 0.896 279 G HN 0.536 nan 8.290 nan 0.000 0.436 280 T N 1.379 115.940 114.554 0.012 0.000 2.856 280 T HA 0.226 4.576 4.350 -0.000 0.000 0.329 280 T C 0.804 175.516 174.700 0.018 0.000 1.094 280 T CA 1.222 63.333 62.100 0.018 0.000 1.112 280 T CB -0.177 68.702 68.868 0.019 0.000 1.009 280 T HN 1.283 nan 8.240 nan 0.000 0.550 281 T N 1.530 116.109 114.554 0.043 0.000 2.626 281 T HA 0.242 4.592 4.350 -0.000 0.000 0.494 281 T C 0.030 174.774 174.700 0.074 0.000 0.803 281 T CA 0.848 62.997 62.100 0.082 0.000 2.618 281 T CB -1.897 67.042 68.868 0.119 0.000 1.693 281 T HN 1.862 nan 8.240 nan 0.000 0.539 282 G N 1.146 110.008 108.800 0.102 0.000 2.318 282 G HA2 0.381 4.341 3.960 -0.000 0.000 0.302 282 G HA3 0.381 4.341 3.960 -0.000 0.000 0.302 282 G C -0.105 174.847 174.900 0.087 0.000 1.633 282 G CA -0.091 45.087 45.100 0.129 0.000 0.965 282 G HN 0.541 nan 8.290 nan 0.000 0.698 283 T N 1.426 116.046 114.554 0.109 0.000 3.244 283 T HA 0.407 4.757 4.350 -0.000 0.000 0.254 283 T C 0.489 175.213 174.700 0.040 0.000 1.024 283 T CA 0.444 62.586 62.100 0.070 0.000 0.920 283 T CB -0.389 68.519 68.868 0.067 0.000 1.042 283 T HN 1.751 nan 8.240 nan 0.000 0.572 284 L N 2.490 123.720 121.223 0.012 0.000 2.785 284 L HA -0.091 4.249 4.340 -0.000 0.000 0.590 284 L C -1.932 174.920 176.870 -0.029 0.000 1.000 284 L CA -0.642 54.158 54.840 -0.066 0.000 1.306 284 L CB -0.712 41.271 42.059 -0.126 0.000 1.738 284 L HN 0.157 nan 8.230 nan 0.000 0.846 285 P HA 0.100 nan 4.420 nan 0.000 0.271 285 P C -0.157 177.125 177.300 -0.030 0.000 1.233 285 P CA -0.043 63.086 63.100 0.048 0.000 0.795 285 P CB 0.457 32.205 31.700 0.080 0.000 0.936 286 S N -0.696 114.987 115.700 -0.029 0.000 2.568 286 S HA 0.099 4.569 4.470 -0.000 0.000 0.282 286 S C 0.701 175.148 174.600 -0.255 0.000 1.338 286 S CA 0.054 58.192 58.200 -0.104 0.000 1.045 286 S CB -0.496 62.662 63.200 -0.070 0.000 0.873 286 S HN 0.462 nan 8.310 nan 0.000 0.516 287 T N 2.597 116.952 114.554 -0.331 0.000 3.129 287 T HA 0.156 4.506 4.350 -0.000 0.000 0.267 287 T C 0.154 174.411 174.700 -0.738 0.000 1.018 287 T CA -0.165 61.594 62.100 -0.569 0.000 0.903 287 T CB -0.080 68.646 68.868 -0.236 0.000 1.067 287 T HN 0.669 nan 8.240 nan 0.000 0.549 288 S N 1.948 117.357 115.700 -0.485 0.000 2.642 288 S HA 0.473 4.943 4.470 -0.000 0.000 0.309 288 S C -0.593 173.926 174.600 -0.135 0.000 1.125 288 S CA -0.890 57.181 58.200 -0.214 0.000 1.055 288 S CB -0.554 62.613 63.200 -0.055 0.000 1.157 288 S HN 0.358 nan 8.310 nan 0.000 0.513 289 Y N 2.557 122.944 120.300 0.145 0.000 2.320 289 Y HA 0.623 5.173 4.550 -0.000 0.000 0.324 289 Y C 0.060 176.125 175.900 0.275 0.000 1.190 289 Y CA -1.372 56.824 58.100 0.160 0.000 1.215 289 Y CB 0.910 39.404 38.460 0.057 0.000 1.221 289 Y HN 0.728 nan 8.280 nan 0.000 0.486 290 F N 2.009 122.145 119.950 0.310 0.000 2.591 290 F HA 0.809 5.336 4.527 -0.000 0.000 0.309 290 F C -3.443 172.503 175.800 0.242 0.000 1.098 290 F CA -2.975 55.178 58.000 0.255 0.000 0.937 290 F CB 1.900 41.084 39.000 0.305 0.000 1.250 290 F HN 0.109 nan 8.300 nan 0.000 0.447 291 P HA 0.326 nan 4.420 nan 0.000 0.290 291 P C -0.980 176.348 177.300 0.047 0.000 1.283 291 P CA -0.341 62.748 63.100 -0.020 0.000 0.869 291 P CB 2.102 33.778 31.700 -0.039 0.000 1.100 292 T N 4.123 118.708 114.554 0.052 0.000 2.817 292 T HA 0.386 4.736 4.350 -0.000 0.000 0.293 292 T C -2.025 172.644 174.700 -0.051 0.000 0.964 292 T CA -1.080 61.095 62.100 0.125 0.000 1.085 292 T CB 0.543 69.555 68.868 0.241 0.000 0.921 292 T HN 0.411 nan 8.240 nan 0.000 0.502 293 P HA 0.461 nan 4.420 nan 0.000 0.284 293 P C -1.028 176.110 177.300 -0.269 0.000 1.292 293 P CA -0.693 62.283 63.100 -0.208 0.000 0.800 293 P CB 1.032 32.622 31.700 -0.182 0.000 1.188 294 S N -1.546 113.854 115.700 -0.500 0.000 2.616 294 S HA 0.437 4.907 4.470 -0.000 0.000 0.276 294 S C 0.710 174.984 174.600 -0.544 0.000 1.159 294 S CA -0.275 57.540 58.200 -0.642 0.000 1.000 294 S CB -0.214 62.255 63.200 -1.218 0.000 1.117 294 S HN 0.552 nan 8.310 nan 0.000 0.464 295 G N 2.139 110.834 108.800 -0.175 0.000 2.848 295 G HA2 0.310 4.270 3.960 -0.000 0.000 0.208 295 G HA3 0.310 4.270 3.960 -0.000 0.000 0.208 295 G C 0.851 175.773 174.900 0.036 0.000 1.152 295 G CA 0.770 45.851 45.100 -0.032 0.000 0.789 295 G HN 1.486 nan 8.290 nan 0.000 0.531 296 S N -1.544 114.187 115.700 0.052 0.000 4.118 296 S HA -0.265 4.205 4.470 -0.000 0.000 0.624 296 S C 0.331 175.027 174.600 0.160 0.000 1.929 296 S CA 1.270 59.646 58.200 0.293 0.000 4.219 296 S CB -1.204 62.221 63.200 0.375 0.000 0.206 296 S HN 0.510 nan 8.310 nan 0.000 0.525 297 M N 1.490 121.166 119.600 0.127 0.000 2.662 297 M HA 0.640 5.120 4.480 -0.000 0.000 0.310 297 M C -1.527 174.808 176.300 0.059 0.000 1.204 297 M CA -0.697 54.654 55.300 0.083 0.000 0.891 297 M CB 1.896 34.539 32.600 0.071 0.000 1.732 297 M HN 0.532 nan 8.290 nan 0.000 0.467 298 V N 0.687 120.626 119.914 0.042 0.000 2.495 298 V HA 0.844 4.964 4.120 -0.000 0.000 0.298 298 V C -0.422 175.686 176.094 0.023 0.000 1.031 298 V CA -0.607 61.712 62.300 0.030 0.000 0.871 298 V CB 0.981 32.822 31.823 0.031 0.000 0.988 298 V HN 0.916 nan 8.190 nan 0.000 0.432 299 T N -0.455 114.108 114.554 0.015 0.000 2.933 299 T HA 0.388 4.738 4.350 -0.000 0.000 0.305 299 T C 0.740 175.443 174.700 0.005 0.000 1.092 299 T CA -0.031 62.075 62.100 0.010 0.000 1.008 299 T CB 1.787 70.661 68.868 0.010 0.000 1.102 299 T HN 0.395 nan 8.240 nan 0.000 0.469 300 S N 1.212 116.915 115.700 0.005 0.000 2.407 300 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 300 S C 1.539 176.139 174.600 -0.000 0.000 1.036 300 S CA 1.762 59.964 58.200 0.004 0.000 1.013 300 S CB -0.469 62.734 63.200 0.004 0.000 0.820 300 S HN 0.812 nan 8.310 nan 0.000 0.476 301 D N 1.467 121.866 120.400 -0.001 0.000 2.117 301 D HA -0.036 4.604 4.640 -0.000 0.000 0.198 301 D C 2.239 178.534 176.300 -0.010 0.000 0.982 301 D CA 1.135 55.133 54.000 -0.003 0.000 0.828 301 D CB -0.340 40.459 40.800 -0.001 0.000 0.967 301 D HN 0.440 nan 8.370 nan 0.000 0.464 302 A N 1.497 124.310 122.820 -0.012 0.000 1.948 302 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 302 A C 1.259 178.814 177.584 -0.049 0.000 1.177 302 A CA 0.936 52.958 52.037 -0.025 0.000 0.636 302 A CB -0.497 18.491 19.000 -0.019 0.000 0.815 302 A HN 0.134 nan 8.150 nan 0.000 0.449 303 Q N -0.376 119.396 119.800 -0.047 0.000 2.618 303 Q HA -0.086 4.254 4.340 -0.000 0.000 0.344 303 Q C 0.778 176.724 176.000 -0.090 0.000 1.073 303 Q CA 0.594 56.353 55.803 -0.074 0.000 1.105 303 Q CB 0.303 29.032 28.738 -0.015 0.000 1.028 303 Q HN 0.731 nan 8.270 nan 0.000 0.397 304 I N 2.286 122.721 120.570 -0.224 0.000 3.226 304 I HA 0.024 4.194 4.170 -0.000 0.000 0.277 304 I C 0.196 176.347 176.117 0.057 0.000 1.243 304 I CA 0.187 61.392 61.300 -0.159 0.000 1.459 304 I CB 0.345 38.130 38.000 -0.358 0.000 1.093 304 I HN 0.364 nan 8.210 nan 0.000 0.453 305 F N 1.101 121.105 119.950 0.091 0.000 2.213 305 F HA 0.244 4.771 4.527 -0.000 0.000 0.297 305 F C 1.218 176.980 175.800 -0.064 0.000 1.094 305 F CA -0.722 57.306 58.000 0.046 0.000 1.121 305 F CB 0.032 39.037 39.000 0.009 0.000 1.622 305 F HN -0.060 nan 8.300 nan 0.000 0.521 306 N N 0.474 119.221 118.700 0.079 0.000 2.721 306 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 306 N C -1.554 173.868 175.510 -0.147 0.000 1.072 306 N CA 0.686 53.692 53.050 -0.074 0.000 0.710 306 N CB -0.814 37.657 38.487 -0.026 0.000 0.993 306 N HN 0.355 nan 8.380 nan 0.000 0.547 307 K N -0.785 119.444 120.400 -0.285 0.000 2.536 307 K HA 0.473 4.793 4.320 -0.000 0.000 0.269 307 K C -2.840 173.350 176.600 -0.682 0.000 0.965 307 K CA -1.705 54.383 56.287 -0.332 0.000 0.860 307 K CB 2.594 34.991 32.500 -0.171 0.000 1.423 307 K HN -0.194 nan 8.250 nan 0.000 0.438 308 P HA 0.163 nan 4.420 nan 0.000 0.286 308 P C -1.391 175.317 177.300 -0.986 0.000 1.269 308 P CA -0.155 62.386 63.100 -0.933 0.000 0.787 308 P CB 0.337 31.522 31.700 -0.858 0.000 0.920 309 Y N 1.554 121.359 120.300 -0.825 0.000 2.341 309 Y HA 0.346 4.896 4.550 -0.000 0.000 0.337 309 Y C 0.021 175.459 175.900 -0.771 0.000 1.014 309 Y CA -0.858 56.860 58.100 -0.637 0.000 1.111 309 Y CB 1.631 39.669 38.460 -0.703 0.000 1.194 309 Y HN 0.355 nan 8.280 nan 0.000 0.462 310 W N 5.755 127.039 121.300 -0.027 0.000 2.363 310 W HA 0.453 5.113 4.660 -0.000 0.000 0.314 310 W C -0.914 175.561 176.519 -0.073 0.000 0.994 310 W CA -0.980 56.330 57.345 -0.057 0.000 1.449 310 W CB 0.989 30.456 29.460 0.011 0.000 1.248 310 W HN 0.365 nan 8.180 nan 0.000 0.409 311 L N 1.911 123.165 121.223 0.052 0.000 2.404 311 L HA 0.269 4.609 4.340 -0.000 0.000 0.277 311 L C 1.285 178.209 176.870 0.089 0.000 1.184 311 L CA -0.225 54.641 54.840 0.042 0.000 1.013 311 L CB 0.140 42.153 42.059 -0.077 0.000 1.318 311 L HN 0.554 nan 8.230 nan 0.000 0.435 312 Q N 1.219 121.102 119.800 0.138 0.000 2.123 312 Q HA 0.138 4.478 4.340 -0.000 0.000 0.196 312 Q C 0.045 176.090 176.000 0.075 0.000 0.958 312 Q CA 0.501 56.363 55.803 0.099 0.000 0.841 312 Q CB 0.054 28.844 28.738 0.087 0.000 0.915 312 Q HN 0.556 nan 8.270 nan 0.000 0.455 313 R N 0.211 120.768 120.500 0.094 0.000 2.575 313 R HA 0.616 4.956 4.340 -0.000 0.000 0.293 313 R C -1.293 175.076 176.300 0.114 0.000 0.983 313 R CA -0.067 56.082 56.100 0.082 0.000 0.887 313 R CB 1.924 32.269 30.300 0.074 0.000 1.184 313 R HN 0.307 nan 8.270 nan 0.000 0.445 314 A N 1.725 124.610 122.820 0.108 0.000 2.257 314 A HA 0.316 4.636 4.320 -0.000 0.000 0.289 314 A C 0.696 178.389 177.584 0.181 0.000 1.095 314 A CA -0.311 51.832 52.037 0.176 0.000 0.836 314 A CB 0.596 19.707 19.000 0.185 0.000 1.111 314 A HN 0.821 nan 8.150 nan 0.000 0.497 315 Q N 0.781 120.724 119.800 0.239 0.000 1.969 315 Q HA 0.220 4.559 4.340 -0.000 0.000 0.198 315 Q C 1.224 177.314 176.000 0.149 0.000 0.978 315 Q CA 1.107 57.022 55.803 0.186 0.000 0.830 315 Q CB -1.165 27.711 28.738 0.231 0.000 0.896 315 Q HN 0.808 nan 8.270 nan 0.000 0.431 316 G N -0.513 108.414 108.800 0.212 0.000 2.527 316 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.279 316 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.279 316 G C -0.226 174.772 174.900 0.164 0.000 1.374 316 G CA 0.159 45.375 45.100 0.192 0.000 1.053 316 G HN 0.532 nan 8.290 nan 0.000 0.539 317 H N -0.981 118.248 119.070 0.266 0.000 2.495 317 H HA 0.004 4.560 4.556 -0.000 0.000 0.287 317 H C 1.074 176.600 175.328 0.330 0.000 1.033 317 H CA 0.872 57.093 56.048 0.287 0.000 1.307 317 H CB 0.235 30.193 29.762 0.327 0.000 1.401 317 H HN 0.294 nan 8.280 nan 0.000 0.555 318 N N 1.342 120.337 118.700 0.493 0.000 2.420 318 N HA -0.069 4.671 4.740 -0.000 0.000 0.249 318 N C -0.727 174.960 175.510 0.294 0.000 1.033 318 N CA -0.060 53.273 53.050 0.472 0.000 0.944 318 N CB 0.199 39.046 38.487 0.601 0.000 1.113 318 N HN 0.140 nan 8.380 nan 0.000 0.502 319 N N 2.924 121.705 118.700 0.135 0.000 3.254 319 N HA 0.094 4.834 4.740 -0.000 0.000 0.308 319 N C 0.270 175.644 175.510 -0.227 0.000 1.281 319 N CA 0.297 53.344 53.050 -0.006 0.000 1.212 319 N CB -0.711 37.782 38.487 0.010 0.000 1.478 319 N HN 0.810 nan 8.380 nan 0.000 0.548 320 G N 1.954 110.387 108.800 -0.613 0.000 2.393 320 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.299 320 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.299 320 G C 0.060 174.707 174.900 -0.422 0.000 0.990 320 G CA -0.126 44.266 45.100 -1.181 0.000 1.118 320 G HN 0.437 nan 8.290 nan 0.000 0.513 321 I N -0.044 120.365 120.570 -0.270 0.000 2.336 321 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 321 I C 0.664 176.543 176.117 -0.395 0.000 0.991 321 I CA -0.623 60.423 61.300 -0.423 0.000 1.227 321 I CB 1.408 38.996 38.000 -0.688 0.000 1.366 321 I HN 0.184 nan 8.210 nan 0.000 0.466 322 C N 6.107 125.240 119.300 -0.278 0.000 2.136 322 C HA 0.279 4.739 4.460 -0.000 0.000 0.381 322 C C 0.132 175.066 174.990 -0.094 0.000 1.039 322 C CA -1.065 57.933 59.018 -0.033 0.000 1.491 322 C CB -1.821 25.988 27.740 0.115 0.000 1.663 322 C HN 0.622 nan 8.230 nan 0.000 0.470 323 W N 1.788 123.182 121.300 0.157 0.000 2.216 323 W HA 0.340 5.000 4.660 -0.000 0.000 0.326 323 W C 1.075 177.620 176.519 0.044 0.000 1.319 323 W CA 0.550 57.944 57.345 0.082 0.000 1.213 323 W CB 0.323 29.797 29.460 0.022 0.000 1.171 323 W HN 0.760 nan 8.180 nan 0.000 0.557 324 S N 2.879 118.743 115.700 0.274 0.000 3.990 324 S HA -0.262 4.208 4.470 -0.000 0.000 0.346 324 S C -0.064 174.597 174.600 0.102 0.000 1.030 324 S CA 0.324 58.601 58.200 0.130 0.000 1.011 324 S CB -2.027 61.227 63.200 0.089 0.000 0.863 324 S HN 0.783 nan 8.310 nan 0.000 0.485 325 N N -0.129 118.631 118.700 0.101 0.000 2.708 325 N HA -0.218 4.522 4.740 -0.000 0.000 0.251 325 N C -0.032 175.453 175.510 -0.042 0.000 1.017 325 N CA 1.692 54.757 53.050 0.024 0.000 0.742 325 N CB -0.528 37.958 38.487 -0.001 0.000 0.943 325 N HN 0.846 nan 8.380 nan 0.000 0.539 326 Q N -0.712 119.089 119.800 0.002 0.000 2.587 326 Q HA 0.821 5.161 4.340 -0.000 0.000 0.293 326 Q C -0.754 175.236 176.000 -0.018 0.000 1.083 326 Q CA -0.734 55.037 55.803 -0.053 0.000 0.792 326 Q CB 2.285 31.028 28.738 0.007 0.000 1.484 326 Q HN 0.216 nan 8.270 nan 0.000 0.446 327 L N 1.121 122.245 121.223 -0.164 0.000 2.700 327 L HA 0.396 4.736 4.340 -0.000 0.000 0.255 327 L C -1.861 174.830 176.870 -0.298 0.000 0.933 327 L CA -0.423 54.391 54.840 -0.043 0.000 0.920 327 L CB 1.676 43.709 42.059 -0.042 0.000 1.472 327 L HN 0.609 nan 8.230 nan 0.000 0.426 328 F N 2.251 122.198 119.950 -0.006 0.000 2.518 328 F HA 0.580 5.107 4.527 -0.000 0.000 0.323 328 F C -0.102 175.734 175.800 0.060 0.000 1.129 328 F CA -0.706 57.260 58.000 -0.057 0.000 0.920 328 F CB 2.174 41.060 39.000 -0.190 0.000 1.160 328 F HN -0.083 nan 8.300 nan 0.000 0.440 329 V N 2.891 122.984 119.914 0.297 0.000 2.384 329 V HA 0.461 4.581 4.120 -0.000 0.000 0.287 329 V C -0.338 175.925 176.094 0.282 0.000 1.020 329 V CA -0.592 61.918 62.300 0.350 0.000 0.850 329 V CB 1.823 33.913 31.823 0.446 0.000 0.987 329 V HN 0.780 nan 8.190 nan 0.000 0.436 330 T N 4.451 119.137 114.554 0.221 0.000 2.829 330 T HA 0.757 5.107 4.350 -0.000 0.000 0.282 330 T C -0.452 174.372 174.700 0.206 0.000 0.990 330 T CA -0.505 61.686 62.100 0.152 0.000 1.028 330 T CB 1.820 70.769 68.868 0.135 0.000 0.951 330 T HN 0.361 nan 8.240 nan 0.000 0.460 331 V N 2.803 122.812 119.914 0.158 0.000 3.012 331 V HA 0.656 4.776 4.120 -0.000 0.000 0.307 331 V C -0.895 175.304 176.094 0.175 0.000 1.166 331 V CA -0.701 61.740 62.300 0.234 0.000 0.974 331 V CB 2.575 34.560 31.823 0.270 0.000 1.040 331 V HN 0.740 nan 8.190 nan 0.000 0.428 332 V N 2.316 122.359 119.914 0.216 0.000 2.925 332 V HA 0.745 4.865 4.120 -0.000 0.000 0.311 332 V C -1.575 174.695 176.094 0.294 0.000 1.104 332 V CA -0.457 61.903 62.300 0.099 0.000 0.954 332 V CB 2.335 34.053 31.823 -0.176 0.000 1.022 332 V HN 1.002 nan 8.190 nan 0.000 0.427 333 D N 1.210 121.767 120.400 0.262 0.000 2.591 333 D HA 0.279 4.919 4.640 -0.000 0.000 0.222 333 D C 0.360 176.782 176.300 0.203 0.000 1.360 333 D CA 0.110 54.294 54.000 0.307 0.000 0.967 333 D CB 1.817 42.924 40.800 0.512 0.000 1.456 333 D HN 0.587 nan 8.370 nan 0.000 0.588 334 T N -0.587 114.054 114.554 0.145 0.000 3.122 334 T HA 0.054 4.404 4.350 -0.000 0.000 0.250 334 T C 1.608 176.375 174.700 0.112 0.000 1.067 334 T CA 0.622 62.804 62.100 0.138 0.000 0.966 334 T CB -0.086 68.857 68.868 0.125 0.000 1.002 334 T HN 0.378 nan 8.240 nan 0.000 0.542 335 T N 0.490 115.105 114.554 0.103 0.000 2.995 335 T HA 0.041 4.391 4.350 -0.000 0.000 0.269 335 T C 1.521 176.264 174.700 0.071 0.000 1.091 335 T CA 0.237 62.380 62.100 0.072 0.000 1.128 335 T CB -0.299 68.602 68.868 0.054 0.000 0.891 335 T HN 0.406 nan 8.240 nan 0.000 0.492 336 R N 1.555 122.117 120.500 0.104 0.000 2.767 336 R HA 0.271 4.611 4.340 -0.000 0.000 0.377 336 R C 1.100 177.474 176.300 0.123 0.000 1.151 336 R CA 0.188 56.346 56.100 0.098 0.000 1.046 336 R CB 0.392 30.753 30.300 0.102 0.000 1.404 336 R HN 0.501 nan 8.270 nan 0.000 0.580 337 S N -0.597 115.152 115.700 0.083 0.000 2.803 337 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 337 S C 0.613 175.031 174.600 -0.303 0.000 0.953 337 S CA -0.493 57.733 58.200 0.043 0.000 0.983 337 S CB -0.305 62.960 63.200 0.109 0.000 0.784 337 S HN 0.101 nan 8.310 nan 0.000 0.498 338 T N 2.590 116.968 114.554 -0.294 0.000 2.834 338 T HA 0.210 4.560 4.350 -0.000 0.000 0.298 338 T C -0.249 174.192 174.700 -0.432 0.000 0.966 338 T CA -0.533 61.404 62.100 -0.271 0.000 1.141 338 T CB -0.059 68.722 68.868 -0.145 0.000 0.905 338 T HN 0.462 nan 8.240 nan 0.000 0.535 339 N N 3.620 122.127 118.700 -0.321 0.000 2.500 339 N HA 0.293 5.033 4.740 -0.000 0.000 0.236 339 N C 0.399 175.798 175.510 -0.186 0.000 1.022 339 N CA -0.596 52.274 53.050 -0.301 0.000 0.935 339 N CB 0.625 38.935 38.487 -0.295 0.000 1.147 339 N HN 0.690 nan 8.380 nan 0.000 0.512 340 M N 0.265 119.785 119.600 -0.134 0.000 2.228 340 M HA 0.255 4.735 4.480 -0.000 0.000 0.351 340 M C -0.182 176.077 176.300 -0.068 0.000 1.233 340 M CA -0.215 55.039 55.300 -0.077 0.000 1.129 340 M CB 0.527 33.102 32.600 -0.042 0.000 1.604 340 M HN 0.290 nan 8.290 nan 0.000 0.457 341 S N 3.117 118.789 115.700 -0.045 0.000 2.480 341 S HA 0.656 5.125 4.470 -0.000 0.000 0.286 341 S C -0.164 174.454 174.600 0.029 0.000 1.180 341 S CA -0.856 57.333 58.200 -0.018 0.000 1.075 341 S CB 1.478 64.666 63.200 -0.020 0.000 0.996 341 S HN 0.895 nan 8.310 nan 0.000 0.487 342 V N 0.592 120.556 119.914 0.084 0.000 2.409 342 V HA 0.661 4.780 4.120 -0.000 0.000 0.291 342 V C -0.101 176.102 176.094 0.183 0.000 1.020 342 V CA -0.988 61.370 62.300 0.095 0.000 0.848 342 V CB 0.327 32.182 31.823 0.053 0.000 0.990 342 V HN 1.113 nan 8.190 nan 0.000 0.430 343 C N 4.961 124.352 119.300 0.153 0.000 2.295 343 C HA 0.789 5.249 4.460 -0.000 0.000 0.331 343 C C 0.490 175.625 174.990 0.242 0.000 1.280 343 C CA 0.324 59.471 59.018 0.213 0.000 1.746 343 C CB 0.377 28.202 27.740 0.142 0.000 2.328 343 C HN 1.181 nan 8.230 nan 0.000 0.521 344 S N 4.510 120.393 115.700 0.306 0.000 2.596 344 S HA 0.714 5.184 4.470 -0.000 0.000 0.318 344 S C -0.079 174.639 174.600 0.198 0.000 1.097 344 S CA -0.264 58.069 58.200 0.222 0.000 1.080 344 S CB 0.892 64.190 63.200 0.163 0.000 0.991 344 S HN 1.255 nan 8.310 nan 0.000 0.471 345 A N 3.833 126.724 122.820 0.118 0.000 2.371 345 A HA 0.436 4.756 4.320 -0.000 0.000 0.257 345 A C 1.248 178.721 177.584 -0.185 0.000 1.089 345 A CA -0.461 51.458 52.037 -0.197 0.000 0.794 345 A CB 0.269 19.091 19.000 -0.297 0.000 1.029 345 A HN 0.923 nan 8.150 nan 0.000 0.488 346 V N 1.283 121.024 119.914 -0.288 0.000 2.809 346 V HA 0.010 4.130 4.120 -0.000 0.000 0.256 346 V C 0.839 176.847 176.094 -0.144 0.000 1.080 346 V CA 1.811 64.009 62.300 -0.171 0.000 1.102 346 V CB -1.355 30.370 31.823 -0.164 0.000 0.705 346 V HN 1.230 nan 8.190 nan 0.000 0.475 347 S N -1.162 114.425 115.700 -0.190 0.000 2.482 347 S HA 0.119 4.589 4.470 -0.000 0.000 0.295 347 S C -0.098 174.421 174.600 -0.135 0.000 1.038 347 S CA -0.022 58.101 58.200 -0.128 0.000 0.968 347 S CB 0.748 63.888 63.200 -0.101 0.000 1.182 347 S HN 0.325 nan 8.310 nan 0.000 0.441 348 S N 1.603 117.255 115.700 -0.080 0.000 2.871 348 S HA 0.203 4.673 4.470 -0.000 0.000 0.254 348 S C 1.149 175.734 174.600 -0.026 0.000 1.088 348 S CA 0.017 58.190 58.200 -0.045 0.000 1.166 348 S CB -0.778 62.421 63.200 -0.002 0.000 0.826 348 S HN 1.249 nan 8.310 nan 0.000 0.471 349 S N -0.663 115.012 115.700 -0.041 0.000 2.535 349 S HA 0.162 4.632 4.470 -0.000 0.000 0.214 349 S C 0.032 174.621 174.600 -0.018 0.000 0.980 349 S CA -0.473 57.713 58.200 -0.024 0.000 0.907 349 S CB -0.075 63.108 63.200 -0.028 0.000 0.790 349 S HN 0.392 nan 8.310 nan 0.000 0.510 350 D N 2.461 122.845 120.400 -0.027 0.000 2.283 350 D HA 0.340 4.980 4.640 -0.000 0.000 0.248 350 D C 0.877 177.192 176.300 0.026 0.000 1.072 350 D CA 0.114 54.107 54.000 -0.011 0.000 0.929 350 D CB 1.763 42.541 40.800 -0.037 0.000 1.182 350 D HN 0.360 nan 8.370 nan 0.000 0.433 351 S N -0.799 114.923 115.700 0.037 0.000 2.523 351 S HA 0.106 4.576 4.470 -0.000 0.000 0.217 351 S C 0.462 175.111 174.600 0.082 0.000 0.996 351 S CA -0.176 58.058 58.200 0.056 0.000 0.921 351 S CB 0.347 63.571 63.200 0.040 0.000 0.829 351 S HN 0.304 nan 8.310 nan 0.000 0.495 352 T N 2.070 116.674 114.554 0.083 0.000 2.824 352 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 352 T C -1.320 173.462 174.700 0.136 0.000 0.993 352 T CA -0.459 61.708 62.100 0.110 0.000 0.967 352 T CB 0.966 69.881 68.868 0.077 0.000 0.960 352 T HN 0.274 nan 8.240 nan 0.000 0.441 353 Y N 3.879 124.249 120.300 0.117 0.000 2.770 353 Y HA 0.152 4.702 4.550 -0.000 0.000 0.342 353 Y C 0.268 176.266 175.900 0.163 0.000 1.221 353 Y CA 0.419 58.614 58.100 0.160 0.000 1.560 353 Y CB -0.065 38.431 38.460 0.060 0.000 1.213 353 Y HN 0.416 nan 8.280 nan 0.000 0.525 354 K N 5.334 125.503 120.400 -0.384 0.000 2.578 354 K HA 0.209 4.529 4.320 -0.000 0.000 0.250 354 K C 0.324 176.793 176.600 -0.218 0.000 0.955 354 K CA -0.682 55.481 56.287 -0.207 0.000 0.825 354 K CB 1.454 33.905 32.500 -0.082 0.000 1.151 354 K HN 0.631 nan 8.250 nan 0.000 0.432 355 N N 1.706 120.349 118.700 -0.096 0.000 2.060 355 N HA -0.246 4.494 4.740 -0.000 0.000 0.195 355 N C 0.773 176.330 175.510 0.079 0.000 1.028 355 N CA 1.749 54.833 53.050 0.058 0.000 0.861 355 N CB 0.029 38.584 38.487 0.115 0.000 1.029 355 N HN 0.570 nan 8.380 nan 0.000 0.428 356 D N 0.218 120.626 120.400 0.014 0.000 2.172 356 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 356 D C 1.115 177.360 176.300 -0.092 0.000 0.999 356 D CA 1.059 55.045 54.000 -0.023 0.000 0.856 356 D CB -0.519 40.257 40.800 -0.039 0.000 0.934 356 D HN 0.308 nan 8.370 nan 0.000 0.453 357 N N -0.871 117.715 118.700 -0.190 0.000 2.575 357 N HA -0.025 4.715 4.740 -0.000 0.000 0.192 357 N C -0.881 174.085 175.510 -0.907 0.000 1.200 357 N CA 0.174 52.918 53.050 -0.510 0.000 0.897 357 N CB 0.029 38.134 38.487 -0.636 0.000 0.990 357 N HN -0.044 nan 8.380 nan 0.000 0.449 358 F N -0.827 119.079 119.950 -0.073 0.000 2.613 358 F HA 0.484 5.011 4.527 -0.000 0.000 0.314 358 F C -0.104 175.707 175.800 0.019 0.000 1.075 358 F CA -1.033 56.960 58.000 -0.011 0.000 0.945 358 F CB 1.689 40.690 39.000 0.002 0.000 1.310 358 F HN -0.405 nan 8.300 nan 0.000 0.467 359 K N 1.922 122.488 120.400 0.276 0.000 2.640 359 K HA 0.250 4.570 4.320 -0.000 0.000 0.245 359 K C -1.238 175.458 176.600 0.161 0.000 0.962 359 K CA -0.686 55.689 56.287 0.147 0.000 0.896 359 K CB 1.781 34.408 32.500 0.212 0.000 1.147 359 K HN 0.528 nan 8.250 nan 0.000 0.445 360 E N 2.421 122.627 120.200 0.009 0.000 2.313 360 E HA 0.193 4.543 4.350 -0.000 0.000 0.276 360 E C -0.648 175.839 176.600 -0.189 0.000 1.031 360 E CA -0.004 56.417 56.400 0.034 0.000 0.857 360 E CB 0.843 30.552 29.700 0.015 0.000 1.040 360 E HN 0.318 nan 8.360 nan 0.000 0.408 361 Y N 0.452 120.767 120.300 0.024 0.000 2.545 361 Y HA 0.435 4.985 4.550 -0.000 0.000 0.348 361 Y C -0.068 175.781 175.900 -0.084 0.000 1.002 361 Y CA -0.859 57.241 58.100 0.001 0.000 1.039 361 Y CB 1.548 40.020 38.460 0.021 0.000 1.271 361 Y HN 0.264 nan 8.280 nan 0.000 0.467 362 L N 4.019 125.224 121.223 -0.029 0.000 2.325 362 L HA 0.645 4.985 4.340 -0.000 0.000 0.281 362 L C -0.630 176.074 176.870 -0.276 0.000 1.004 362 L CA -0.756 53.928 54.840 -0.260 0.000 0.823 362 L CB 1.089 42.792 42.059 -0.593 0.000 1.236 362 L HN 0.529 nan 8.230 nan 0.000 0.415 363 R N 1.861 122.266 120.500 -0.158 0.000 2.740 363 R HA 0.534 4.874 4.340 -0.000 0.000 0.282 363 R C -1.260 175.025 176.300 -0.026 0.000 0.969 363 R CA -0.852 55.199 56.100 -0.081 0.000 0.918 363 R CB 2.562 32.854 30.300 -0.013 0.000 1.175 363 R HN 0.669 nan 8.270 nan 0.000 0.464 364 H N -0.607 118.414 119.070 -0.083 0.000 2.865 364 H HA 0.569 5.125 4.556 -0.000 0.000 0.362 364 H C -1.060 174.278 175.328 0.017 0.000 1.114 364 H CA -0.784 55.242 56.048 -0.036 0.000 1.208 364 H CB 2.330 32.067 29.762 -0.041 0.000 1.727 364 H HN 0.808 nan 8.280 nan 0.000 0.534 365 G N 3.152 112.168 108.800 0.361 0.000 2.687 365 G HA2 0.321 4.281 3.960 -0.000 0.000 0.301 365 G HA3 0.321 4.281 3.960 -0.000 0.000 0.301 365 G C -1.379 173.622 174.900 0.167 0.000 1.416 365 G CA -0.537 44.661 45.100 0.163 0.000 1.005 365 G HN 0.558 nan 8.290 nan 0.000 0.509 366 E N 0.272 120.547 120.200 0.125 0.000 2.250 366 E HA 0.569 4.919 4.350 -0.000 0.000 0.269 366 E C -0.585 176.157 176.600 0.236 0.000 1.018 366 E CA -0.520 55.987 56.400 0.179 0.000 0.873 366 E CB 1.596 31.454 29.700 0.264 0.000 1.134 366 E HN 0.445 nan 8.360 nan 0.000 0.403 367 E N 2.599 122.901 120.200 0.170 0.000 2.528 367 E HA 0.167 4.517 4.350 -0.000 0.000 0.277 367 E C -1.429 175.151 176.600 -0.032 0.000 0.980 367 E CA -0.390 56.083 56.400 0.122 0.000 0.796 367 E CB 0.388 30.114 29.700 0.044 0.000 1.427 367 E HN 0.424 nan 8.360 nan 0.000 0.394 368 Y N 1.041 121.309 120.300 -0.053 0.000 2.488 368 Y HA 0.447 4.997 4.550 -0.000 0.000 0.325 368 Y C 0.156 175.937 175.900 -0.198 0.000 1.204 368 Y CA -1.022 56.971 58.100 -0.179 0.000 1.229 368 Y CB 1.260 39.528 38.460 -0.320 0.000 1.274 368 Y HN 0.437 nan 8.280 nan 0.000 0.493 369 D N 0.741 121.087 120.400 -0.091 0.000 2.736 369 D HA 0.411 5.051 4.640 -0.000 0.000 0.243 369 D C -1.942 174.210 176.300 -0.246 0.000 1.304 369 D CA -0.331 53.585 54.000 -0.139 0.000 0.934 369 D CB 0.699 41.437 40.800 -0.104 0.000 1.382 369 D HN 0.465 nan 8.370 nan 0.000 0.571 370 L N 3.859 124.923 121.223 -0.265 0.000 2.262 370 L HA 0.429 4.769 4.340 -0.000 0.000 0.288 370 L C 0.123 176.754 176.870 -0.399 0.000 1.035 370 L CA -0.511 54.122 54.840 -0.344 0.000 0.820 370 L CB 1.160 43.123 42.059 -0.160 0.000 1.204 370 L HN 0.396 nan 8.230 nan 0.000 0.424 371 Q N 2.923 122.274 119.800 -0.748 0.000 2.297 371 Q HA 0.753 5.093 4.340 -0.000 0.000 0.268 371 Q C -1.313 173.915 176.000 -1.287 0.000 1.045 371 Q CA -0.661 54.708 55.803 -0.723 0.000 0.861 371 Q CB 2.702 31.139 28.738 -0.502 0.000 1.344 371 Q HN 0.334 nan 8.270 nan 0.000 0.452 372 F N -0.179 119.362 119.950 -0.683 0.000 2.789 372 F HA 0.625 5.152 4.527 -0.000 0.000 0.319 372 F C -0.872 174.420 175.800 -0.847 0.000 1.168 372 F CA -0.855 56.695 58.000 -0.751 0.000 0.934 372 F CB 1.704 40.263 39.000 -0.735 0.000 1.375 372 F HN 0.291 nan 8.300 nan 0.000 0.480 373 I N 1.754 121.921 120.570 -0.671 0.000 2.675 373 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 373 I C -1.725 174.116 176.117 -0.460 0.000 1.285 373 I CA -0.134 60.867 61.300 -0.499 0.000 1.079 373 I CB 1.493 39.251 38.000 -0.404 0.000 1.318 373 I HN 0.306 nan 8.210 nan 0.000 0.439 374 F N 3.602 123.400 119.950 -0.254 0.000 2.575 374 F HA 0.629 5.156 4.527 -0.000 0.000 0.330 374 F C 0.177 175.997 175.800 0.034 0.000 1.056 374 F CA -0.713 57.227 58.000 -0.101 0.000 0.964 374 F CB 1.474 40.374 39.000 -0.166 0.000 1.258 374 F HN 0.340 nan 8.300 nan 0.000 0.484 375 Q N 1.391 121.375 119.800 0.307 0.000 2.375 375 Q HA 0.581 4.921 4.340 -0.000 0.000 0.271 375 Q C -1.878 174.161 176.000 0.065 0.000 1.074 375 Q CA -1.095 54.667 55.803 -0.067 0.000 0.808 375 Q CB 2.531 31.078 28.738 -0.319 0.000 1.327 375 Q HN 0.760 nan 8.270 nan 0.000 0.441 376 L N 3.311 124.451 121.223 -0.139 0.000 2.319 376 L HA 0.428 4.768 4.340 -0.000 0.000 0.280 376 L C -1.375 175.261 176.870 -0.390 0.000 1.099 376 L CA 0.207 54.791 54.840 -0.426 0.000 0.828 376 L CB 0.724 42.399 42.059 -0.640 0.000 1.150 376 L HN 0.827 nan 8.230 nan 0.000 0.442 377 C N 3.958 123.005 119.300 -0.422 0.000 2.779 377 C HA 0.711 5.171 4.460 -0.000 0.000 0.314 377 C C -0.479 174.311 174.990 -0.334 0.000 1.231 377 C CA -1.107 57.725 59.018 -0.309 0.000 1.652 377 C CB 1.874 29.483 27.740 -0.219 0.000 2.198 377 C HN 0.870 nan 8.230 nan 0.000 0.483 378 K N 0.974 121.236 120.400 -0.231 0.000 2.259 378 K HA 0.863 5.183 4.320 -0.000 0.000 0.249 378 K C -1.605 174.962 176.600 -0.055 0.000 0.942 378 K CA -0.433 55.743 56.287 -0.185 0.000 0.816 378 K CB 1.368 33.777 32.500 -0.151 0.000 1.155 378 K HN 0.695 nan 8.250 nan 0.000 0.428 379 I N 2.661 123.217 120.570 -0.024 0.000 2.517 379 I HA 0.094 4.264 4.170 -0.000 0.000 0.280 379 I C -0.714 175.450 176.117 0.078 0.000 1.061 379 I CA -0.831 60.520 61.300 0.084 0.000 1.091 379 I CB 2.088 40.214 38.000 0.210 0.000 1.205 379 I HN 0.692 nan 8.210 nan 0.000 0.459 380 T N 7.027 121.644 114.554 0.104 0.000 2.761 380 T HA 0.228 4.578 4.350 -0.000 0.000 0.287 380 T C 0.400 175.168 174.700 0.114 0.000 0.931 380 T CA -0.070 62.086 62.100 0.093 0.000 1.164 380 T CB -0.087 68.833 68.868 0.087 0.000 0.876 380 T HN 0.286 nan 8.240 nan 0.000 0.534 381 L N 5.410 126.691 121.223 0.097 0.000 2.433 381 L HA 0.253 4.593 4.340 -0.000 0.000 0.284 381 L C 1.315 178.245 176.870 0.101 0.000 1.120 381 L CA -0.458 54.461 54.840 0.132 0.000 0.879 381 L CB -0.525 41.616 42.059 0.136 0.000 1.232 381 L HN 0.715 nan 8.230 nan 0.000 0.454 382 T N -0.832 113.782 114.554 0.100 0.000 2.949 382 T HA 0.629 4.979 4.350 -0.000 0.000 0.287 382 T C 1.200 175.941 174.700 0.069 0.000 1.034 382 T CA -0.219 61.925 62.100 0.073 0.000 1.018 382 T CB 1.951 70.859 68.868 0.067 0.000 1.135 382 T HN 0.397 nan 8.240 nan 0.000 0.532 383 A N 1.476 124.326 122.820 0.050 0.000 1.863 383 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 383 A C 1.984 179.593 177.584 0.040 0.000 1.233 383 A CA 2.424 54.486 52.037 0.040 0.000 0.655 383 A CB -1.468 17.549 19.000 0.028 0.000 0.839 383 A HN 0.976 nan 8.150 nan 0.000 0.454 384 D N -0.514 119.907 120.400 0.035 0.000 2.123 384 D HA -0.121 4.519 4.640 -0.000 0.000 0.196 384 D C 2.060 178.383 176.300 0.039 0.000 0.992 384 D CA 1.842 55.858 54.000 0.027 0.000 0.833 384 D CB -0.525 40.282 40.800 0.012 0.000 0.954 384 D HN 0.298 nan 8.370 nan 0.000 0.455 385 V N 1.192 121.139 119.914 0.055 0.000 2.548 385 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 385 V C 2.528 178.682 176.094 0.100 0.000 1.055 385 V CA 1.055 63.398 62.300 0.071 0.000 1.065 385 V CB -0.420 31.484 31.823 0.136 0.000 0.681 385 V HN 0.170 nan 8.190 nan 0.000 0.462 386 M N -0.022 119.639 119.600 0.102 0.000 2.132 386 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 386 M C 2.337 178.689 176.300 0.086 0.000 1.065 386 M CA 1.968 57.331 55.300 0.107 0.000 1.122 386 M CB -0.753 31.912 32.600 0.108 0.000 1.365 386 M HN 0.387 nan 8.290 nan 0.000 0.411 387 T N -0.212 114.380 114.554 0.063 0.000 2.708 387 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 387 T C 1.573 176.299 174.700 0.043 0.000 1.037 387 T CA 1.409 63.526 62.100 0.029 0.000 1.146 387 T CB -0.613 68.260 68.868 0.008 0.000 0.865 387 T HN 0.332 nan 8.240 nan 0.000 0.435 388 Y N 1.817 122.072 120.300 -0.075 0.000 2.081 388 Y HA -0.184 4.366 4.550 -0.000 0.000 0.280 388 Y C 2.092 177.906 175.900 -0.144 0.000 1.163 388 Y CA 0.992 59.021 58.100 -0.119 0.000 1.135 388 Y CB -0.635 37.690 38.460 -0.226 0.000 0.970 388 Y HN 0.167 nan 8.280 nan 0.000 0.498 389 I N -0.816 119.668 120.570 -0.143 0.000 2.208 389 I HA -0.371 3.799 4.170 -0.000 0.000 0.245 389 I C 2.591 178.538 176.117 -0.284 0.000 1.097 389 I CA 1.726 62.842 61.300 -0.307 0.000 1.363 389 I CB -0.689 37.192 38.000 -0.197 0.000 1.051 389 I HN 0.352 nan 8.210 nan 0.000 0.413 390 H N 1.194 120.129 119.070 -0.226 0.000 2.319 390 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 390 H C 2.292 177.497 175.328 -0.204 0.000 1.092 390 H CA 2.144 58.078 56.048 -0.189 0.000 1.302 390 H CB -0.020 29.677 29.762 -0.109 0.000 1.373 390 H HN 0.219 nan 8.280 nan 0.000 0.497 391 S N 0.625 116.346 115.700 0.035 0.000 2.387 391 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 391 S C 2.378 176.935 174.600 -0.072 0.000 1.026 391 S CA 1.016 59.217 58.200 0.002 0.000 0.972 391 S CB -0.187 62.988 63.200 -0.042 0.000 0.814 391 S HN 0.427 nan 8.310 nan 0.000 0.477 392 M N 1.412 120.847 119.600 -0.274 0.000 2.286 392 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 392 M C 0.478 176.504 176.300 -0.456 0.000 1.071 392 M CA 1.654 56.599 55.300 -0.592 0.000 1.091 392 M CB -0.052 31.855 32.600 -1.154 0.000 1.260 392 M HN 0.272 nan 8.290 nan 0.000 0.442 393 N N -1.149 117.266 118.700 -0.475 0.000 2.572 393 N HA 0.213 4.953 4.740 -0.000 0.000 0.287 393 N C -2.429 172.836 175.510 -0.409 0.000 1.136 393 N CA -1.332 51.483 53.050 -0.392 0.000 0.900 393 N CB 1.809 40.036 38.487 -0.434 0.000 1.484 393 N HN 0.011 nan 8.380 nan 0.000 0.526 394 P HA -0.143 nan 4.420 nan 0.000 0.215 394 P C 1.090 178.145 177.300 -0.409 0.000 1.153 394 P CA 1.202 63.994 63.100 -0.514 0.000 0.853 394 P CB 0.383 31.798 31.700 -0.475 0.000 0.788 395 S N 1.167 116.680 115.700 -0.310 0.000 2.369 395 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 395 S C 2.109 176.489 174.600 -0.368 0.000 1.043 395 S CA 1.768 59.808 58.200 -0.266 0.000 1.074 395 S CB -1.386 61.696 63.200 -0.197 0.000 0.962 395 S HN 0.149 nan 8.310 nan 0.000 0.433 396 I N 1.247 121.544 120.570 -0.455 0.000 2.188 396 I HA -0.343 3.827 4.170 -0.000 0.000 0.246 396 I C 2.161 177.656 176.117 -1.037 0.000 1.033 396 I CA 1.759 62.614 61.300 -0.741 0.000 1.307 396 I CB -0.809 36.687 38.000 -0.839 0.000 1.005 396 I HN 0.253 nan 8.210 nan 0.000 0.421 397 L N -0.156 120.695 121.223 -0.620 0.000 2.162 397 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 397 L C 2.547 179.327 176.870 -0.150 0.000 1.086 397 L CA 0.951 55.608 54.840 -0.304 0.000 0.778 397 L CB -0.427 41.546 42.059 -0.144 0.000 0.928 397 L HN 0.213 nan 8.230 nan 0.000 0.446 398 E N 0.013 120.094 120.200 -0.198 0.000 2.106 398 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 398 E C 1.337 177.898 176.600 -0.064 0.000 0.984 398 E CA 1.063 57.401 56.400 -0.103 0.000 0.806 398 E CB -0.147 29.484 29.700 -0.116 0.000 0.750 398 E HN 0.404 nan 8.360 nan 0.000 0.458 399 D N 0.084 120.403 120.400 -0.135 0.000 2.309 399 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 399 D C 0.230 176.574 176.300 0.074 0.000 0.968 399 D CA 0.656 54.611 54.000 -0.074 0.000 0.882 399 D CB -0.057 40.650 40.800 -0.156 0.000 0.918 399 D HN 0.288 nan 8.370 nan 0.000 0.503 400 W N 2.663 123.969 121.300 0.010 0.000 2.237 400 W HA 0.195 4.855 4.660 -0.000 0.000 0.420 400 W C 0.226 176.756 176.519 0.019 0.000 0.635 400 W CA -0.444 56.915 57.345 0.023 0.000 2.255 400 W CB -1.400 28.083 29.460 0.038 0.000 1.432 400 W HN 0.052 nan 8.180 nan 0.000 0.643 441 L N 1.271 122.567 121.223 0.122 0.000 3.141 441 L HA 0.396 4.736 4.340 -0.000 0.000 0.267 441 L C 1.799 178.698 176.870 0.049 0.000 1.281 441 L CA -0.273 54.699 54.840 0.221 0.000 1.037 441 L CB 0.781 43.147 42.059 0.511 0.000 1.407 441 L HN 0.042 nan 8.230 nan 0.000 0.566 442 K N 1.153 121.522 120.400 -0.052 0.000 2.280 442 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 442 K C 0.820 177.319 176.600 -0.167 0.000 1.047 442 K CA 1.119 57.359 56.287 -0.079 0.000 0.942 442 K CB 0.277 32.735 32.500 -0.069 0.000 0.739 442 K HN 0.462 nan 8.250 nan 0.000 0.457 443 N N -0.179 118.313 118.700 -0.347 0.000 2.268 443 N HA 0.003 4.743 4.740 -0.000 0.000 0.204 443 N C -0.719 174.555 175.510 -0.393 0.000 1.124 443 N CA 0.175 52.984 53.050 -0.403 0.000 0.838 443 N CB 0.330 38.522 38.487 -0.492 0.000 0.994 443 N HN 0.175 nan 8.380 nan 0.000 0.489 444 Y N 0.596 120.750 120.300 -0.243 0.000 2.429 444 Y HA 0.286 4.836 4.550 -0.000 0.000 0.342 444 Y C 0.456 175.926 175.900 -0.717 0.000 1.004 444 Y CA -1.225 56.577 58.100 -0.497 0.000 1.075 444 Y CB 1.837 39.944 38.460 -0.588 0.000 1.214 444 Y HN -0.151 nan 8.280 nan 0.000 0.455 445 T N 0.676 114.918 114.554 -0.521 0.000 2.893 445 T HA 0.583 4.933 4.350 -0.000 0.000 0.324 445 T C -0.909 173.644 174.700 -0.246 0.000 1.082 445 T CA -0.505 61.407 62.100 -0.312 0.000 0.983 445 T CB -0.409 68.389 68.868 -0.117 0.000 1.005 445 T HN 0.369 nan 8.240 nan 0.000 0.475 446 F N 1.487 121.522 119.950 0.141 0.000 2.523 446 F HA 0.572 5.099 4.527 -0.000 0.000 0.329 446 F C 0.237 176.157 175.800 0.199 0.000 1.061 446 F CA -1.674 56.423 58.000 0.163 0.000 0.967 446 F CB 1.330 40.463 39.000 0.221 0.000 1.218 446 F HN 0.519 nan 8.300 nan 0.000 0.480 447 W N 3.907 125.325 121.300 0.196 0.000 2.358 447 W HA 0.231 4.891 4.660 -0.000 0.000 0.307 447 W C -0.724 175.911 176.519 0.193 0.000 1.203 447 W CA -0.792 56.634 57.345 0.135 0.000 1.279 447 W CB 0.437 29.921 29.460 0.039 0.000 1.264 447 W HN 0.516 nan 8.180 nan 0.000 0.474 448 E N 4.381 124.876 120.200 0.492 0.000 2.259 448 E HA 0.246 4.596 4.350 -0.000 0.000 0.281 448 E C -0.869 175.958 176.600 0.378 0.000 1.027 448 E CA -0.499 56.103 56.400 0.337 0.000 0.838 448 E CB 2.456 32.274 29.700 0.197 0.000 1.066 448 E HN 0.181 nan 8.360 nan 0.000 0.401 449 V N 3.815 123.861 119.914 0.220 0.000 2.385 449 V HA 0.047 4.167 4.120 -0.000 0.000 0.277 449 V C -0.237 175.881 176.094 0.040 0.000 1.012 449 V CA -0.760 61.620 62.300 0.134 0.000 0.832 449 V CB 1.510 33.365 31.823 0.054 0.000 1.028 449 V HN 0.546 nan 8.190 nan 0.000 0.436 450 D N 4.563 124.996 120.400 0.054 0.000 2.339 450 D HA 0.259 4.899 4.640 -0.000 0.000 0.256 450 D C 0.380 176.691 176.300 0.018 0.000 1.214 450 D CA 0.018 54.027 54.000 0.014 0.000 0.877 450 D CB 1.537 42.354 40.800 0.028 0.000 1.111 450 D HN 0.431 nan 8.370 nan 0.000 0.478 451 L N 3.791 125.003 121.223 -0.018 0.000 3.014 451 L HA 0.145 4.485 4.340 -0.000 0.000 0.263 451 L C 1.835 178.693 176.870 -0.019 0.000 1.207 451 L CA -0.145 54.720 54.840 0.041 0.000 1.017 451 L CB 0.348 42.457 42.059 0.083 0.000 1.360 451 L HN 0.163 nan 8.230 nan 0.000 0.560 452 K N 0.395 120.742 120.400 -0.089 0.000 2.155 452 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 452 K C 1.546 178.129 176.600 -0.028 0.000 1.052 452 K CA 0.996 57.182 56.287 -0.168 0.000 0.948 452 K CB 0.279 32.719 32.500 -0.101 0.000 0.728 452 K HN -0.007 nan 8.250 nan 0.000 0.448 453 E N 0.279 120.516 120.200 0.061 0.000 2.474 453 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 453 E C 0.220 176.936 176.600 0.195 0.000 1.039 453 E CA 0.390 56.871 56.400 0.135 0.000 0.881 453 E CB 0.435 30.199 29.700 0.107 0.000 0.970 453 E HN 0.041 nan 8.360 nan 0.000 0.486 454 K N 0.075 120.606 120.400 0.220 0.000 2.469 454 K HA 0.102 4.422 4.320 -0.000 0.000 0.201 454 K C -0.405 176.390 176.600 0.325 0.000 1.028 454 K CA -0.129 56.311 56.287 0.255 0.000 1.170 454 K CB 0.179 32.793 32.500 0.190 0.000 0.874 454 K HN 0.014 nan 8.250 nan 0.000 0.507 455 F N 1.472 121.478 119.950 0.093 0.000 2.424 455 F HA 0.175 4.702 4.527 -0.000 0.000 0.356 455 F C 0.832 176.820 175.800 0.313 0.000 1.110 455 F CA -0.592 57.492 58.000 0.141 0.000 1.161 455 F CB 1.299 40.324 39.000 0.042 0.000 1.115 455 F HN -0.179 nan 8.300 nan 0.000 0.507 456 S N 2.001 117.864 115.700 0.273 0.000 2.599 456 S HA 0.793 5.263 4.470 -0.000 0.000 0.294 456 S C 0.243 174.868 174.600 0.042 0.000 1.094 456 S CA -0.110 58.249 58.200 0.265 0.000 0.931 456 S CB 1.692 65.058 63.200 0.277 0.000 1.093 456 S HN 0.675 nan 8.310 nan 0.000 0.488 457 A N 1.435 124.179 122.820 -0.128 0.000 2.390 457 A HA 0.311 4.631 4.320 -0.000 0.000 0.232 457 A C -0.017 177.516 177.584 -0.085 0.000 1.233 457 A CA -0.102 51.684 52.037 -0.418 0.000 0.907 457 A CB -0.014 18.610 19.000 -0.627 0.000 0.967 457 A HN 0.784 nan 8.150 nan 0.000 0.512 458 D N 1.498 121.938 120.400 0.066 0.000 2.631 458 D HA 0.264 4.904 4.640 -0.000 0.000 0.227 458 D C 1.098 177.524 176.300 0.211 0.000 1.146 458 D CA -0.145 53.920 54.000 0.109 0.000 1.009 458 D CB 0.536 41.388 40.800 0.085 0.000 1.057 458 D HN 0.329 nan 8.370 nan 0.000 0.509 459 L N 0.217 121.540 121.223 0.166 0.000 2.064 459 L HA -0.286 4.054 4.340 -0.000 0.000 0.216 459 L C 2.188 179.226 176.870 0.279 0.000 1.077 459 L CA 1.340 56.323 54.840 0.239 0.000 0.766 459 L CB -0.622 41.535 42.059 0.165 0.000 0.890 459 L HN 0.175 nan 8.230 nan 0.000 0.435 460 D N 0.063 120.552 120.400 0.148 0.000 2.191 460 D HA -0.248 4.391 4.640 -0.000 0.000 0.190 460 D C 2.084 178.374 176.300 -0.018 0.000 1.007 460 D CA 1.464 55.504 54.000 0.067 0.000 0.865 460 D CB -0.103 40.711 40.800 0.024 0.000 0.929 460 D HN 0.274 nan 8.370 nan 0.000 0.447 461 Q N -0.914 118.800 119.800 -0.144 0.000 2.576 461 Q HA -0.014 4.326 4.340 -0.000 0.000 0.218 461 Q C -0.385 175.102 176.000 -0.855 0.000 0.983 461 Q CA 0.530 56.010 55.803 -0.538 0.000 0.920 461 Q CB -0.409 27.846 28.738 -0.805 0.000 0.973 461 Q HN 0.375 nan 8.270 nan 0.000 0.528 462 F N -1.003 118.865 119.950 -0.137 0.000 2.578 462 F HA 0.290 4.817 4.527 -0.000 0.000 0.311 462 F C -1.566 174.219 175.800 -0.024 0.000 1.094 462 F CA -2.611 55.299 58.000 -0.150 0.000 0.923 462 F CB 1.429 40.183 39.000 -0.410 0.000 1.230 462 F HN -0.261 nan 8.300 nan 0.000 0.450 463 P HA -0.192 nan 4.420 nan 0.000 0.214 463 P C 1.979 179.369 177.300 0.150 0.000 1.163 463 P CA 1.424 64.592 63.100 0.113 0.000 0.889 463 P CB 0.630 32.366 31.700 0.060 0.000 0.790 464 L N -0.616 120.707 121.223 0.167 0.000 1.970 464 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 464 L C 2.595 179.639 176.870 0.290 0.000 1.071 464 L CA 2.471 57.398 54.840 0.144 0.000 0.751 464 L CB -1.429 40.623 42.059 -0.011 0.000 0.889 464 L HN 0.056 nan 8.230 nan 0.000 0.432 465 G N -0.972 108.035 108.800 0.345 0.000 2.418 465 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 465 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 465 G C 1.628 176.709 174.900 0.303 0.000 1.158 465 G CA 0.661 45.958 45.100 0.327 0.000 0.771 465 G HN 0.303 nan 8.290 nan 0.000 0.545 466 R N 0.241 120.881 120.500 0.233 0.000 2.112 466 R HA -0.156 4.184 4.340 -0.000 0.000 0.242 466 R C 2.677 179.069 176.300 0.154 0.000 1.137 466 R CA 2.078 58.271 56.100 0.156 0.000 0.944 466 R CB -0.239 30.121 30.300 0.101 0.000 0.857 466 R HN 0.279 nan 8.270 nan 0.000 0.435 467 K N -0.432 120.090 120.400 0.203 0.000 2.001 467 K HA -0.218 4.102 4.320 -0.000 0.000 0.214 467 K C 1.801 178.523 176.600 0.203 0.000 1.050 467 K CA 2.041 58.471 56.287 0.239 0.000 0.934 467 K CB -0.509 32.211 32.500 0.366 0.000 0.718 467 K HN 0.065 nan 8.250 nan 0.000 0.443 468 F N 1.726 121.788 119.950 0.187 0.000 2.039 468 F HA -0.354 4.173 4.527 -0.000 0.000 0.296 468 F C 1.743 177.356 175.800 -0.311 0.000 1.119 468 F CA 1.804 59.662 58.000 -0.236 0.000 1.211 468 F CB -0.724 38.233 39.000 -0.073 0.000 0.956 468 F HN -0.016 nan 8.300 nan 0.000 0.496 469 L N -0.646 120.481 121.223 -0.159 0.000 1.991 469 L HA -0.308 4.032 4.340 -0.000 0.000 0.221 469 L C 2.506 179.170 176.870 -0.344 0.000 1.079 469 L CA 1.585 56.272 54.840 -0.255 0.000 0.778 469 L CB -1.079 40.980 42.059 -0.000 0.000 0.893 469 L HN 0.339 nan 8.230 nan 0.000 0.437 470 L N -0.317 120.782 121.223 -0.206 0.000 1.956 470 L HA -0.289 4.051 4.340 -0.000 0.000 0.216 470 L C 2.686 179.391 176.870 -0.275 0.000 1.073 470 L CA 2.112 56.847 54.840 -0.176 0.000 0.762 470 L CB -1.021 40.989 42.059 -0.081 0.000 0.889 470 L HN 0.411 nan 8.230 nan 0.000 0.433 471 Q N -0.356 119.231 119.800 -0.354 0.000 2.046 471 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 471 Q C 1.968 177.628 176.000 -0.565 0.000 0.975 471 Q CA 2.106 57.663 55.803 -0.410 0.000 0.836 471 Q CB -0.436 28.017 28.738 -0.474 0.000 0.896 471 Q HN 0.571 nan 8.270 nan 0.000 0.428 472 A N -0.080 122.213 122.820 -0.878 0.000 2.172 472 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 472 A C 1.445 178.715 177.584 -0.522 0.000 1.154 472 A CA 1.760 53.297 52.037 -0.833 0.000 0.701 472 A CB -0.637 17.545 19.000 -1.363 0.000 0.789 472 A HN 0.757 nan 8.150 nan 0.000 0.465 473 G N -0.703 107.844 108.800 -0.421 0.000 3.076 473 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 473 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 473 G C 0.336 175.100 174.900 -0.227 0.000 1.589 473 G CA 0.033 44.977 45.100 -0.260 0.000 1.044 473 G HN 1.322 nan 8.290 nan 0.000 0.563 474 L N 0.000 121.111 121.223 -0.186 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.762 54.840 -0.131 0.000 0.813 474 L CB 0.000 42.009 42.059 -0.084 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502