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 2v3w_1_C DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAA RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVSPV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.668 177.584 0.139 0.000 1.274 2 A CA 0.000 52.114 52.037 0.128 0.000 0.836 2 A CB 0.000 19.055 19.000 0.091 0.000 0.831 3 S N -0.104 115.696 115.700 0.166 0.000 2.632 3 S HA 0.498 4.966 4.470 -0.004 0.000 0.271 3 S C 1.255 176.012 174.600 0.263 0.000 1.260 3 S CA 0.152 58.472 58.200 0.200 0.000 1.010 3 S CB 1.414 64.742 63.200 0.214 0.000 0.965 3 S HN 0.698 nan 8.310 nan 0.000 0.534 4 V N 2.073 122.148 119.914 0.267 0.000 2.392 4 V HA -0.213 3.904 4.120 -0.004 0.000 0.249 4 V C 2.569 178.978 176.094 0.525 0.000 1.059 4 V CA 2.331 64.812 62.300 0.300 0.000 1.051 4 V CB -1.468 30.449 31.823 0.158 0.000 0.658 4 V HN 1.064 nan 8.190 nan 0.000 0.455 5 H N 0.865 120.266 119.070 0.553 0.000 2.265 5 H HA -0.182 4.372 4.556 -0.004 0.000 0.295 5 H C 2.311 177.888 175.328 0.415 0.000 1.084 5 H CA 2.368 58.767 56.048 0.585 0.000 1.261 5 H CB -0.499 29.502 29.762 0.398 0.000 1.360 5 H HN 0.423 nan 8.280 nan 0.000 0.487 6 G N -0.795 108.267 108.800 0.438 0.000 2.408 6 G HA2 -0.211 3.746 3.960 -0.004 0.000 0.217 6 G HA3 -0.211 3.746 3.960 -0.004 0.000 0.217 6 G C 1.789 176.824 174.900 0.225 0.000 1.150 6 G CA 1.165 46.430 45.100 0.275 0.000 0.776 6 G HN 0.459 nan 8.290 nan 0.000 0.542 7 T N 0.911 115.638 114.554 0.289 0.000 2.777 7 T HA -0.093 4.254 4.350 -0.004 0.000 0.266 7 T C 2.639 177.543 174.700 0.339 0.000 1.040 7 T CA 1.724 64.040 62.100 0.361 0.000 1.141 7 T CB -0.424 68.657 68.868 0.356 0.000 0.868 7 T HN 0.274 nan 8.240 nan 0.000 0.444 8 T N 0.883 115.613 114.554 0.294 0.000 2.777 8 T HA -0.044 4.304 4.350 -0.004 0.000 0.266 8 T C 1.610 176.319 174.700 0.015 0.000 1.040 8 T CA 0.989 63.223 62.100 0.223 0.000 1.141 8 T CB -0.455 68.638 68.868 0.374 0.000 0.868 8 T HN 0.407 nan 8.240 nan 0.000 0.444 9 Y N 1.193 121.438 120.300 -0.092 0.000 2.352 9 Y HA -0.025 4.523 4.550 -0.003 0.000 0.292 9 Y C 2.568 178.389 175.900 -0.131 0.000 1.136 9 Y CA 0.915 58.834 58.100 -0.302 0.000 1.227 9 Y CB -0.123 37.965 38.460 -0.619 0.000 0.991 9 Y HN 0.161 nan 8.280 nan 0.000 0.545 10 E N 0.253 120.454 120.200 0.002 0.000 2.072 10 E HA -0.147 4.200 4.350 -0.004 0.000 0.190 10 E C 2.016 178.447 176.600 -0.281 0.000 0.982 10 E CA 0.692 56.952 56.400 -0.234 0.000 0.803 10 E CB -0.496 28.905 29.700 -0.498 0.000 0.755 10 E HN 0.310 nan 8.360 nan 0.000 0.453 11 L N 0.305 121.517 121.223 -0.018 0.000 2.012 11 L HA -0.128 4.209 4.340 -0.004 0.000 0.210 11 L C 2.093 179.033 176.870 0.117 0.000 1.073 11 L CA 1.733 56.699 54.840 0.209 0.000 0.748 11 L CB -0.618 41.647 42.059 0.342 0.000 0.891 11 L HN 0.268 nan 8.230 nan 0.000 0.431 12 L N -0.906 120.374 121.223 0.094 0.000 2.017 12 L HA -0.204 4.133 4.340 -0.004 0.000 0.208 12 L C 2.792 179.741 176.870 0.131 0.000 1.073 12 L CA 1.605 56.513 54.840 0.113 0.000 0.745 12 L CB -0.621 41.486 42.059 0.079 0.000 0.894 12 L HN 0.307 nan 8.230 nan 0.000 0.432 13 R N 0.164 120.779 120.500 0.192 0.000 2.094 13 R HA -0.177 4.160 4.340 -0.004 0.000 0.239 13 R C 2.479 178.775 176.300 -0.007 0.000 1.137 13 R CA 1.520 57.658 56.100 0.065 0.000 0.943 13 R CB -0.085 30.281 30.300 0.109 0.000 0.850 13 R HN 0.204 nan 8.270 nan 0.000 0.433 14 R N 0.117 120.609 120.500 -0.015 0.000 2.189 14 R HA -0.054 4.284 4.340 -0.004 0.000 0.223 14 R C 1.518 177.853 176.300 0.059 0.000 1.092 14 R CA 0.835 56.940 56.100 0.008 0.000 0.989 14 R CB -0.035 30.266 30.300 0.001 0.000 0.876 14 R HN 0.430 nan 8.270 nan 0.000 0.457 15 Q N -0.515 119.323 119.800 0.064 0.000 2.246 15 Q HA 0.152 4.489 4.340 -0.004 0.000 0.202 15 Q C 0.656 176.685 176.000 0.048 0.000 0.883 15 Q CA 0.421 56.264 55.803 0.067 0.000 0.952 15 Q CB 1.050 29.814 28.738 0.044 0.000 1.078 15 Q HN 0.523 nan 8.270 nan 0.000 0.493 16 G N 1.250 110.063 108.800 0.022 0.000 2.175 16 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.244 16 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.244 16 G C 0.174 175.064 174.900 -0.018 0.000 0.982 16 G CA -0.210 44.892 45.100 0.003 0.000 0.641 16 G HN 0.348 nan 8.290 nan 0.000 0.527 17 I N 1.876 122.430 120.570 -0.028 0.000 2.325 17 I HA 0.432 4.600 4.170 -0.004 0.000 0.291 17 I C 0.377 176.281 176.117 -0.356 0.000 1.019 17 I CA -0.097 61.178 61.300 -0.042 0.000 1.302 17 I CB 1.367 39.414 38.000 0.078 0.000 1.401 17 I HN 0.230 nan 8.210 nan 0.000 0.485 18 D N 2.029 122.180 120.400 -0.415 0.000 2.594 18 D HA 0.112 4.750 4.640 -0.004 0.000 0.256 18 D C -0.227 175.804 176.300 -0.447 0.000 1.393 18 D CA -0.153 53.331 54.000 -0.860 0.000 0.797 18 D CB 0.532 40.989 40.800 -0.572 0.000 1.110 18 D HN 0.248 nan 8.370 nan 0.000 0.495 19 T N -0.005 114.444 114.554 -0.175 0.000 2.921 19 T HA 0.506 4.853 4.350 -0.004 0.000 0.297 19 T C -0.899 173.770 174.700 -0.052 0.000 1.013 19 T CA -0.581 61.406 62.100 -0.188 0.000 0.990 19 T CB 2.387 70.995 68.868 -0.433 0.000 1.023 19 T HN -0.110 nan 8.240 nan 0.000 0.447 20 V N 3.959 123.855 119.914 -0.031 0.000 2.384 20 V HA 0.520 4.638 4.120 -0.004 0.000 0.287 20 V C -0.895 174.938 176.094 -0.434 0.000 1.020 20 V CA -0.849 61.529 62.300 0.132 0.000 0.850 20 V CB 0.738 32.872 31.823 0.519 0.000 0.987 20 V HN 0.803 nan 8.190 nan 0.000 0.436 21 F N 3.190 123.100 119.950 -0.067 0.000 2.405 21 F HA 0.790 5.315 4.527 -0.004 0.000 0.355 21 F C 0.896 176.575 175.800 -0.201 0.000 1.121 21 F CA -0.110 57.753 58.000 -0.229 0.000 1.112 21 F CB 1.740 40.658 39.000 -0.137 0.000 1.126 21 F HN 0.622 nan 8.300 nan 0.000 0.481 22 G N 2.358 111.013 108.800 -0.243 0.000 2.660 22 G HA2 0.319 4.277 3.960 -0.004 0.000 0.290 22 G HA3 0.319 4.277 3.960 -0.004 0.000 0.290 22 G C -2.196 172.773 174.900 0.115 0.000 1.432 22 G CA -0.891 44.197 45.100 -0.021 0.000 0.807 22 G HN 0.517 nan 8.290 nan 0.000 0.485 23 N N 1.088 119.910 118.700 0.203 0.000 2.504 23 N HA 0.449 5.186 4.740 -0.004 0.000 0.280 23 N C -2.841 172.786 175.510 0.195 0.000 1.052 23 N CA -1.218 51.948 53.050 0.194 0.000 0.887 23 N CB 3.361 41.922 38.487 0.122 0.000 1.323 23 N HN 0.302 nan 8.380 nan 0.000 0.509 24 P HA 0.496 nan 4.420 nan 0.000 0.278 24 P C -0.325 176.927 177.300 -0.079 0.000 1.266 24 P CA -0.056 63.096 63.100 0.087 0.000 0.807 24 P CB 1.904 33.609 31.700 0.007 0.000 1.094 25 G N -1.152 107.553 108.800 -0.158 0.000 2.600 25 G HA2 0.365 4.323 3.960 -0.004 0.000 0.293 25 G HA3 0.365 4.323 3.960 -0.004 0.000 0.293 25 G C 0.709 175.474 174.900 -0.226 0.000 1.408 25 G CA 0.106 44.889 45.100 -0.529 0.000 0.782 25 G HN 0.407 nan 8.290 nan 0.000 0.482 26 S N 0.105 115.682 115.700 -0.205 0.000 2.359 26 S HA -0.180 4.288 4.470 -0.004 0.000 0.224 26 S C 1.785 176.333 174.600 -0.087 0.000 1.035 26 S CA 1.868 60.003 58.200 -0.109 0.000 1.018 26 S CB -0.416 62.730 63.200 -0.091 0.000 0.876 26 S HN 0.446 nan 8.310 nan 0.000 0.448 27 N N 1.992 120.784 118.700 0.152 0.000 2.430 27 N HA -0.040 4.698 4.740 -0.004 0.000 0.186 27 N C 1.277 176.974 175.510 0.312 0.000 1.032 27 N CA 1.349 54.547 53.050 0.246 0.000 0.893 27 N CB -0.377 38.312 38.487 0.336 0.000 0.957 27 N HN 0.619 nan 8.380 nan 0.000 0.442 28 E N -0.356 119.999 120.200 0.260 0.000 2.415 28 E HA 0.196 4.544 4.350 -0.004 0.000 0.197 28 E C 1.843 178.558 176.600 0.190 0.000 1.007 28 E CA -0.093 56.474 56.400 0.279 0.000 0.890 28 E CB -0.008 29.860 29.700 0.281 0.000 0.891 28 E HN 0.247 nan 8.360 nan 0.000 0.496 29 L N 0.993 122.262 121.223 0.076 0.000 2.042 29 L HA -0.113 4.225 4.340 -0.004 0.000 0.210 29 L C -0.681 176.211 176.870 0.037 0.000 1.076 29 L CA 1.265 56.108 54.840 0.005 0.000 0.749 29 L CB -1.412 40.611 42.059 -0.059 0.000 0.893 29 L HN 0.138 nan 8.230 nan 0.000 0.432 30 P HA -0.173 nan 4.420 nan 0.000 0.226 30 P C 1.293 178.670 177.300 0.129 0.000 1.153 30 P CA 1.097 64.316 63.100 0.199 0.000 0.777 30 P CB 0.008 31.976 31.700 0.447 0.000 0.794 31 F N -0.064 119.723 119.950 -0.271 0.000 2.317 31 F HA 0.100 4.625 4.527 -0.003 0.000 0.293 31 F C 1.664 177.430 175.800 -0.056 0.000 1.085 31 F CA 1.032 58.639 58.000 -0.656 0.000 1.390 31 F CB -0.583 37.763 39.000 -1.089 0.000 1.077 31 F HN -0.294 nan 8.300 nan 0.000 0.517 32 L N 0.986 122.103 121.223 -0.177 0.000 2.418 32 L HA 0.008 4.346 4.340 -0.004 0.000 0.218 32 L C 1.035 177.858 176.870 -0.080 0.000 1.125 32 L CA 0.061 54.800 54.840 -0.169 0.000 0.835 32 L CB -0.715 41.246 42.059 -0.163 0.000 0.953 32 L HN 0.026 nan 8.230 nan 0.000 0.454 33 K N 0.137 120.501 120.400 -0.060 0.000 2.380 33 K HA -0.057 4.260 4.320 -0.004 0.000 0.267 33 K C -0.333 176.217 176.600 -0.083 0.000 0.990 33 K CA -0.135 56.104 56.287 -0.080 0.000 0.946 33 K CB 0.324 32.766 32.500 -0.097 0.000 0.937 33 K HN -0.012 nan 8.250 nan 0.000 0.491 34 D N 0.361 120.700 120.400 -0.101 0.000 2.723 34 D HA -0.222 4.416 4.640 -0.004 0.000 0.236 34 D C -0.689 175.520 176.300 -0.152 0.000 1.138 34 D CA 0.818 54.745 54.000 -0.122 0.000 0.676 34 D CB -1.510 39.178 40.800 -0.188 0.000 1.069 34 D HN 0.500 nan 8.370 nan 0.000 0.430 35 F N 1.167 120.938 119.950 -0.298 0.000 2.602 35 F HA 0.202 4.726 4.527 -0.004 0.000 0.385 35 F C -1.393 174.198 175.800 -0.349 0.000 1.063 35 F CA -1.393 56.361 58.000 -0.408 0.000 1.233 35 F CB 0.413 39.249 39.000 -0.273 0.000 1.067 35 F HN -0.146 nan 8.300 nan 0.000 0.564 36 P HA 0.053 nan 4.420 nan 0.000 0.269 36 P C 0.091 177.238 177.300 -0.255 0.000 1.209 36 P CA 0.026 62.813 63.100 -0.522 0.000 0.776 36 P CB 0.562 31.898 31.700 -0.606 0.000 0.876 37 E N 1.005 121.142 120.200 -0.106 0.000 2.347 37 E HA -0.136 4.212 4.350 -0.004 0.000 0.196 37 E C 0.864 177.463 176.600 -0.001 0.000 1.008 37 E CA 0.764 57.151 56.400 -0.022 0.000 0.852 37 E CB -0.032 29.657 29.700 -0.020 0.000 0.783 37 E HN 0.605 nan 8.360 nan 0.000 0.505 38 D N -0.114 120.286 120.400 0.001 0.000 2.340 38 D HA -0.067 4.571 4.640 -0.004 0.000 0.220 38 D C 0.187 176.438 176.300 -0.080 0.000 1.039 38 D CA 0.119 54.106 54.000 -0.022 0.000 0.866 38 D CB -0.056 40.726 40.800 -0.029 0.000 0.913 38 D HN -0.024 nan 8.370 nan 0.000 0.523 39 F N 0.898 120.711 119.950 -0.229 0.000 2.483 39 F HA 0.460 4.985 4.527 -0.004 0.000 0.329 39 F C 0.775 176.597 175.800 0.037 0.000 1.064 39 F CA -1.131 56.733 58.000 -0.227 0.000 0.986 39 F CB 1.618 40.225 39.000 -0.655 0.000 1.218 39 F HN -0.312 nan 8.300 nan 0.000 0.484 40 R N 1.647 122.331 120.500 0.307 0.000 2.621 40 R HA 0.416 4.753 4.340 -0.004 0.000 0.292 40 R C -2.201 174.298 176.300 0.332 0.000 0.969 40 R CA -0.664 55.598 56.100 0.270 0.000 0.887 40 R CB 1.303 31.602 30.300 -0.002 0.000 1.180 40 R HN 0.721 nan 8.270 nan 0.000 0.450 41 Y N 5.545 125.891 120.300 0.076 0.000 2.328 41 Y HA 0.439 4.987 4.550 -0.003 0.000 0.337 41 Y C -0.897 174.886 175.900 -0.196 0.000 0.966 41 Y CA -0.966 57.053 58.100 -0.135 0.000 1.136 41 Y CB 1.199 39.409 38.460 -0.416 0.000 1.170 41 Y HN 0.435 nan 8.280 nan 0.000 0.470 42 I N 8.142 128.303 120.570 -0.682 0.000 2.328 42 I HA 0.193 4.361 4.170 -0.004 0.000 0.287 42 I C -0.696 175.177 176.117 -0.407 0.000 1.012 42 I CA -0.754 60.144 61.300 -0.671 0.000 1.195 42 I CB 0.977 38.505 38.000 -0.786 0.000 1.350 42 I HN 0.529 nan 8.210 nan 0.000 0.464 43 L N 6.792 128.085 121.223 0.116 0.000 2.326 43 L HA 0.768 5.105 4.340 -0.004 0.000 0.278 43 L C -0.028 177.066 176.870 0.374 0.000 1.092 43 L CA 0.221 55.257 54.840 0.326 0.000 0.810 43 L CB 1.273 43.688 42.059 0.595 0.000 1.153 43 L HN 0.715 nan 8.230 nan 0.000 0.439 44 A N 4.747 127.717 122.820 0.249 0.000 2.454 44 A HA 0.564 4.882 4.320 -0.004 0.000 0.302 44 A C 0.211 177.860 177.584 0.108 0.000 1.079 44 A CA -0.632 51.541 52.037 0.226 0.000 0.731 44 A CB 1.166 20.250 19.000 0.139 0.000 1.299 44 A HN 0.844 nan 8.150 nan 0.000 0.413 45 L N -0.059 121.175 121.223 0.018 0.000 2.492 45 L HA 0.138 4.475 4.340 -0.004 0.000 0.223 45 L C 0.850 177.691 176.870 -0.049 0.000 1.132 45 L CA 0.797 55.570 54.840 -0.111 0.000 0.850 45 L CB 0.057 41.965 42.059 -0.252 0.000 0.966 45 L HN 0.690 nan 8.230 nan 0.000 0.454 46 Q N -0.590 119.207 119.800 -0.004 0.000 2.418 46 Q HA 0.142 4.479 4.340 -0.004 0.000 0.282 46 Q C -0.391 175.632 176.000 0.039 0.000 1.044 46 Q CA -0.231 55.582 55.803 0.017 0.000 0.813 46 Q CB 2.435 31.180 28.738 0.010 0.000 1.428 46 Q HN -0.028 nan 8.270 nan 0.000 0.402 47 E N 1.035 121.265 120.200 0.051 0.000 2.152 47 E HA -0.006 4.342 4.350 -0.004 0.000 0.192 47 E C 1.504 178.134 176.600 0.051 0.000 0.983 47 E CA 1.372 57.809 56.400 0.061 0.000 0.818 47 E CB 0.073 29.816 29.700 0.071 0.000 0.758 47 E HN 0.666 nan 8.360 nan 0.000 0.467 48 A N 0.258 123.106 122.820 0.048 0.000 1.940 48 A HA -0.233 4.085 4.320 -0.004 0.000 0.219 48 A C 2.257 179.864 177.584 0.038 0.000 1.176 48 A CA 1.493 53.560 52.037 0.049 0.000 0.631 48 A CB -0.913 18.125 19.000 0.063 0.000 0.814 48 A HN 0.422 nan 8.150 nan 0.000 0.446 49 C N -1.530 117.790 119.300 0.032 0.000 2.466 49 C HA 0.004 4.461 4.460 -0.004 0.000 0.278 49 C C 2.662 177.658 174.990 0.012 0.000 1.288 49 C CA 0.651 59.679 59.018 0.016 0.000 1.722 49 C CB -1.281 26.470 27.740 0.017 0.000 2.017 49 C HN 0.446 nan 8.230 nan 0.000 0.488 50 V N 1.263 121.198 119.914 0.035 0.000 2.252 50 V HA -0.226 3.892 4.120 -0.004 0.000 0.249 50 V C 2.463 178.552 176.094 -0.007 0.000 1.056 50 V CA 2.368 64.695 62.300 0.045 0.000 1.022 50 V CB -0.745 31.123 31.823 0.074 0.000 0.641 50 V HN 0.473 nan 8.190 nan 0.000 0.445 51 V N 0.658 120.572 119.914 -0.000 0.000 2.379 51 V HA -0.115 4.002 4.120 -0.004 0.000 0.245 51 V C 2.667 178.729 176.094 -0.053 0.000 1.044 51 V CA 1.976 64.264 62.300 -0.019 0.000 1.036 51 V CB -1.479 30.359 31.823 0.025 0.000 0.664 51 V HN 0.605 nan 8.190 nan 0.000 0.453 52 G N 0.249 109.028 108.800 -0.034 0.000 2.469 52 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.219 52 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.219 52 G C 1.575 176.360 174.900 -0.193 0.000 1.150 52 G CA 1.313 46.365 45.100 -0.080 0.000 0.763 52 G HN 0.496 nan 8.290 nan 0.000 0.561 53 I N 1.271 121.730 120.570 -0.184 0.000 2.202 53 I HA -0.124 4.043 4.170 -0.004 0.000 0.242 53 I C 3.306 179.130 176.117 -0.488 0.000 1.091 53 I CA 0.972 62.126 61.300 -0.244 0.000 1.368 53 I CB -0.288 37.641 38.000 -0.119 0.000 1.058 53 I HN 0.235 nan 8.210 nan 0.000 0.410 54 A N 0.261 122.652 122.820 -0.716 0.000 1.940 54 A HA -0.290 4.028 4.320 -0.004 0.000 0.219 54 A C 2.038 179.387 177.584 -0.391 0.000 1.176 54 A CA 2.209 53.631 52.037 -1.026 0.000 0.631 54 A CB -0.643 17.949 19.000 -0.681 0.000 0.814 54 A HN 0.426 nan 8.150 nan 0.000 0.446 55 D N -0.383 119.893 120.400 -0.206 0.000 2.078 55 D HA -0.088 4.550 4.640 -0.004 0.000 0.193 55 D C 2.148 178.406 176.300 -0.071 0.000 0.990 55 D CA 1.788 55.761 54.000 -0.046 0.000 0.827 55 D CB -0.727 40.130 40.800 0.095 0.000 0.975 55 D HN 0.293 nan 8.370 nan 0.000 0.451 56 G N -0.931 107.766 108.800 -0.173 0.000 2.469 56 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.219 56 G HA3 -0.330 3.627 3.960 -0.004 0.000 0.219 56 G C 1.719 176.492 174.900 -0.212 0.000 1.150 56 G CA 1.094 46.025 45.100 -0.281 0.000 0.763 56 G HN 0.384 nan 8.290 nan 0.000 0.561 57 Y N 1.905 122.037 120.300 -0.281 0.000 2.145 57 Y HA -0.006 4.542 4.550 -0.003 0.000 0.286 57 Y C 2.991 178.827 175.900 -0.108 0.000 1.145 57 Y CA 1.545 59.534 58.100 -0.185 0.000 1.148 57 Y CB -0.440 37.885 38.460 -0.224 0.000 0.981 57 Y HN 0.257 nan 8.280 nan 0.000 0.507 58 A N 0.154 122.966 122.820 -0.012 0.000 1.883 58 A HA -0.288 4.029 4.320 -0.004 0.000 0.217 58 A C 2.113 179.670 177.584 -0.044 0.000 1.186 58 A CA 2.200 54.229 52.037 -0.012 0.000 0.624 58 A CB -0.799 18.224 19.000 0.038 0.000 0.822 58 A HN 0.683 nan 8.150 nan 0.000 0.444 59 Q N -0.968 118.808 119.800 -0.039 0.000 2.079 59 Q HA -0.038 4.300 4.340 -0.004 0.000 0.200 59 Q C 2.473 178.491 176.000 0.030 0.000 0.974 59 Q CA 1.227 57.050 55.803 0.033 0.000 0.840 59 Q CB -0.342 28.444 28.738 0.080 0.000 0.898 59 Q HN 0.681 nan 8.270 nan 0.000 0.430 60 A N 1.254 124.005 122.820 -0.114 0.000 1.898 60 A HA -0.166 4.151 4.320 -0.004 0.000 0.216 60 A C 2.243 179.773 177.584 -0.090 0.000 1.181 60 A CA 1.786 53.783 52.037 -0.068 0.000 0.620 60 A CB -0.496 18.405 19.000 -0.165 0.000 0.819 60 A HN 0.434 nan 8.150 nan 0.000 0.442 61 S N -1.666 113.909 115.700 -0.209 0.000 2.496 61 S HA 0.037 4.504 4.470 -0.004 0.000 0.224 61 S C 0.911 175.450 174.600 -0.102 0.000 0.996 61 S CA 0.536 58.602 58.200 -0.223 0.000 0.927 61 S CB -0.274 62.657 63.200 -0.449 0.000 0.774 61 S HN 0.530 nan 8.310 nan 0.000 0.524 62 R N 0.513 120.982 120.500 -0.052 0.000 3.525 62 R HA -0.112 4.225 4.340 -0.004 0.000 0.276 62 R C -0.968 175.333 176.300 0.001 0.000 1.116 62 R CA 0.893 56.992 56.100 -0.002 0.000 0.745 62 R CB -1.996 28.311 30.300 0.013 0.000 1.185 62 R HN 0.548 nan 8.270 nan 0.000 0.454 63 K N -0.173 120.223 120.400 -0.008 0.000 2.508 63 K HA 0.418 4.735 4.320 -0.004 0.000 0.260 63 K C -2.599 174.038 176.600 0.061 0.000 0.949 63 K CA -2.083 54.219 56.287 0.025 0.000 0.834 63 K CB 2.583 35.094 32.500 0.018 0.000 1.365 63 K HN -0.237 nan 8.250 nan 0.000 0.437 64 P HA 0.017 nan 4.420 nan 0.000 0.268 64 P C -1.289 176.135 177.300 0.207 0.000 1.208 64 P CA -0.175 63.001 63.100 0.126 0.000 0.777 64 P CB 0.657 32.427 31.700 0.116 0.000 0.875 65 A N 2.395 125.350 122.820 0.225 0.000 2.365 65 A HA 0.615 4.933 4.320 -0.004 0.000 0.318 65 A C -1.322 176.464 177.584 0.337 0.000 1.091 65 A CA -0.600 51.638 52.037 0.334 0.000 0.763 65 A CB 0.722 19.853 19.000 0.219 0.000 1.248 65 A HN 0.466 nan 8.150 nan 0.000 0.442 66 F N 2.384 122.520 119.950 0.310 0.000 2.415 66 F HA 0.733 5.258 4.527 -0.004 0.000 0.348 66 F C -0.601 175.379 175.800 0.300 0.000 1.119 66 F CA -0.695 57.461 58.000 0.259 0.000 1.069 66 F CB 0.855 40.002 39.000 0.246 0.000 1.124 66 F HN 0.424 nan 8.300 nan 0.000 0.472 67 I N 4.901 125.287 120.570 -0.307 0.000 2.569 67 I HA 0.319 4.487 4.170 -0.004 0.000 0.296 67 I C -1.081 174.897 176.117 -0.233 0.000 1.028 67 I CA -0.783 60.466 61.300 -0.085 0.000 1.082 67 I CB 2.114 40.095 38.000 -0.032 0.000 1.264 67 I HN 0.550 nan 8.210 nan 0.000 0.429 68 N N 6.262 125.011 118.700 0.082 0.000 2.448 68 N HA 0.637 5.375 4.740 -0.004 0.000 0.279 68 N C -1.693 173.924 175.510 0.179 0.000 1.025 68 N CA -0.327 52.820 53.050 0.160 0.000 0.898 68 N CB 1.092 39.847 38.487 0.448 0.000 1.303 68 N HN 0.443 nan 8.380 nan 0.000 0.495 69 L N 1.281 122.590 121.223 0.142 0.000 2.301 69 L HA 0.445 4.783 4.340 -0.004 0.000 0.264 69 L C -0.576 176.421 176.870 0.211 0.000 1.016 69 L CA -1.173 53.771 54.840 0.172 0.000 0.821 69 L CB 1.737 43.884 42.059 0.147 0.000 1.346 69 L HN 0.584 nan 8.230 nan 0.000 0.429 70 H N 0.974 120.111 119.070 0.111 0.000 2.818 70 H HA 0.364 4.918 4.556 -0.003 0.000 0.269 70 H C 0.234 175.621 175.328 0.099 0.000 1.277 70 H CA 0.838 56.948 56.048 0.104 0.000 1.290 70 H CB 0.413 30.227 29.762 0.086 0.000 1.479 70 H HN 0.706 nan 8.280 nan 0.000 0.507 71 S N 2.560 118.153 115.700 -0.178 0.000 3.245 71 S HA -0.341 4.127 4.470 -0.004 0.000 0.631 71 S C 1.701 176.276 174.600 -0.041 0.000 2.821 71 S CA 1.202 59.298 58.200 -0.174 0.000 3.266 71 S CB -1.382 61.579 63.200 -0.397 0.000 0.314 71 S HN 1.054 nan 8.310 nan 0.000 1.621 72 A N 0.369 123.161 122.820 -0.048 0.000 1.898 72 A HA 0.352 4.670 4.320 -0.004 0.000 0.216 72 A C 2.597 180.177 177.584 -0.008 0.000 1.181 72 A CA 2.497 54.526 52.037 -0.014 0.000 0.620 72 A CB -1.445 17.541 19.000 -0.022 0.000 0.819 72 A HN 1.752 nan 8.150 nan 0.000 0.442 73 A N -0.493 122.324 122.820 -0.006 0.000 1.898 73 A HA 0.192 4.509 4.320 -0.004 0.000 0.216 73 A C 2.381 179.994 177.584 0.049 0.000 1.181 73 A CA 1.767 53.818 52.037 0.024 0.000 0.620 73 A CB -1.308 17.719 19.000 0.045 0.000 0.819 73 A HN 0.680 nan 8.150 nan 0.000 0.442 74 G N -0.961 107.883 108.800 0.072 0.000 2.418 74 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.217 74 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.217 74 G C 1.574 176.524 174.900 0.084 0.000 1.158 74 G CA 1.677 46.841 45.100 0.107 0.000 0.771 74 G HN 0.426 nan 8.290 nan 0.000 0.545 75 T N 0.918 115.517 114.554 0.074 0.000 2.737 75 T HA 0.004 4.351 4.350 -0.004 0.000 0.265 75 T C 2.519 177.212 174.700 -0.012 0.000 1.038 75 T CA 1.350 63.483 62.100 0.056 0.000 1.144 75 T CB -0.608 68.298 68.868 0.064 0.000 0.866 75 T HN 0.344 nan 8.240 nan 0.000 0.434 76 G N 2.322 111.111 108.800 -0.019 0.000 2.476 76 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.218 76 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.218 76 G C 1.628 176.525 174.900 -0.006 0.000 1.164 76 G CA 0.846 45.929 45.100 -0.028 0.000 0.768 76 G HN 0.384 nan 8.290 nan 0.000 0.560 77 N N 1.148 119.858 118.700 0.017 0.000 2.272 77 N HA -0.064 4.674 4.740 -0.004 0.000 0.185 77 N C 2.087 177.616 175.510 0.031 0.000 1.014 77 N CA 1.167 54.235 53.050 0.030 0.000 0.870 77 N CB -0.301 38.212 38.487 0.043 0.000 0.975 77 N HN 0.355 nan 8.380 nan 0.000 0.433 78 A N -0.398 122.438 122.820 0.027 0.000 2.275 78 A HA 0.140 4.457 4.320 -0.004 0.000 0.212 78 A C 1.818 179.407 177.584 0.008 0.000 1.201 78 A CA 0.105 52.158 52.037 0.028 0.000 0.843 78 A CB -0.046 18.979 19.000 0.042 0.000 0.873 78 A HN 0.016 nan 8.150 nan 0.000 0.492 79 M N -0.397 119.194 119.600 -0.015 0.000 2.229 79 M HA -0.047 4.431 4.480 -0.004 0.000 0.264 79 M C 2.158 178.441 176.300 -0.029 0.000 1.063 79 M CA 1.310 56.584 55.300 -0.042 0.000 1.114 79 M CB -1.648 30.911 32.600 -0.070 0.000 1.387 79 M HN 0.456 nan 8.290 nan 0.000 0.420 80 G N -0.312 108.482 108.800 -0.011 0.000 2.408 80 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.217 80 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.217 80 G C 1.652 176.554 174.900 0.002 0.000 1.150 80 G CA 0.975 46.069 45.100 -0.011 0.000 0.776 80 G HN 0.529 nan 8.290 nan 0.000 0.542 81 A N 0.522 123.358 122.820 0.027 0.000 1.978 81 A HA 0.091 4.408 4.320 -0.004 0.000 0.220 81 A C 2.375 179.991 177.584 0.053 0.000 1.170 81 A CA 1.131 53.201 52.037 0.055 0.000 0.636 81 A CB -0.320 18.716 19.000 0.061 0.000 0.810 81 A HN 0.369 nan 8.150 nan 0.000 0.448 82 L N 0.248 121.493 121.223 0.037 0.000 2.179 82 L HA -0.126 4.212 4.340 -0.004 0.000 0.208 82 L C 2.973 179.889 176.870 0.076 0.000 1.096 82 L CA 1.244 56.118 54.840 0.057 0.000 0.779 82 L CB -0.431 41.644 42.059 0.027 0.000 0.922 82 L HN 0.619 nan 8.230 nan 0.000 0.443 83 S N -0.256 115.460 115.700 0.026 0.000 2.383 83 S HA -0.183 4.285 4.470 -0.004 0.000 0.229 83 S C 1.751 176.386 174.600 0.058 0.000 1.030 83 S CA 1.291 59.510 58.200 0.032 0.000 1.002 83 S CB -0.442 62.741 63.200 -0.029 0.000 0.829 83 S HN 0.424 nan 8.310 nan 0.000 0.467 84 N N 2.650 121.348 118.700 -0.005 0.000 2.106 84 N HA 0.077 4.815 4.740 -0.004 0.000 0.188 84 N C 2.093 177.574 175.510 -0.049 0.000 1.029 84 N CA 1.548 54.543 53.050 -0.091 0.000 0.848 84 N CB -1.040 37.343 38.487 -0.174 0.000 1.007 84 N HN 0.595 nan 8.380 nan 0.000 0.423 85 A N 1.444 124.285 122.820 0.035 0.000 1.940 85 A HA -0.176 4.142 4.320 -0.004 0.000 0.219 85 A C 2.065 179.706 177.584 0.094 0.000 1.176 85 A CA 1.190 53.268 52.037 0.068 0.000 0.631 85 A CB -1.096 17.967 19.000 0.105 0.000 0.814 85 A HN 0.620 nan 8.150 nan 0.000 0.446 86 W N 1.024 122.303 121.300 -0.036 0.000 2.355 86 W HA -0.195 4.462 4.660 -0.004 0.000 0.309 86 W C 1.412 177.870 176.519 -0.102 0.000 1.206 86 W CA 1.992 59.321 57.345 -0.026 0.000 1.284 86 W CB -0.459 28.988 29.460 -0.023 0.000 1.145 86 W HN 0.401 nan 8.180 nan 0.000 0.502 87 N N 0.402 119.077 118.700 -0.041 0.000 2.331 87 N HA -0.145 4.592 4.740 -0.004 0.000 0.180 87 N C 1.809 177.091 175.510 -0.381 0.000 1.019 87 N CA 2.056 54.968 53.050 -0.229 0.000 0.881 87 N CB -0.497 37.947 38.487 -0.071 0.000 0.972 87 N HN 0.141 nan 8.380 nan 0.000 0.435 88 S N -1.298 114.247 115.700 -0.258 0.000 2.575 88 S HA 0.063 4.531 4.470 -0.004 0.000 0.215 88 S C -0.143 174.379 174.600 -0.130 0.000 0.966 88 S CA -0.277 57.811 58.200 -0.188 0.000 0.911 88 S CB -0.642 62.508 63.200 -0.084 0.000 0.780 88 S HN 0.411 nan 8.310 nan 0.000 0.514 89 H N 0.965 119.967 119.070 -0.114 0.000 2.713 89 H HA -0.129 4.424 4.556 -0.004 0.000 0.311 89 H C -0.633 174.672 175.328 -0.039 0.000 1.175 89 H CA 0.376 56.351 56.048 -0.121 0.000 1.143 89 H CB -2.194 27.497 29.762 -0.120 0.000 1.434 89 H HN 0.365 nan 8.280 nan 0.000 0.418 90 S N 2.228 117.976 115.700 0.080 0.000 2.499 90 S HA 0.172 4.640 4.470 -0.004 0.000 0.275 90 S C -1.929 172.721 174.600 0.085 0.000 1.257 90 S CA -1.117 57.133 58.200 0.083 0.000 1.050 90 S CB 1.096 64.342 63.200 0.077 0.000 0.937 90 S HN 0.188 nan 8.310 nan 0.000 0.490 91 P HA 0.269 nan 4.420 nan 0.000 0.266 91 P C -1.100 176.255 177.300 0.092 0.000 1.586 91 P CA -0.068 63.080 63.100 0.080 0.000 1.088 91 P CB -0.128 31.612 31.700 0.066 0.000 1.584 92 L N 4.740 126.022 121.223 0.099 0.000 2.325 92 L HA 0.484 4.822 4.340 -0.004 0.000 0.281 92 L C 0.525 177.447 176.870 0.087 0.000 1.004 92 L CA -0.930 53.963 54.840 0.089 0.000 0.823 92 L CB 1.841 43.946 42.059 0.076 0.000 1.236 92 L HN 0.164 nan 8.230 nan 0.000 0.415 93 I N 4.433 125.036 120.570 0.055 0.000 2.282 93 I HA 0.158 4.326 4.170 -0.004 0.000 0.290 93 I C -0.191 175.811 176.117 -0.192 0.000 1.090 93 I CA -0.386 60.909 61.300 -0.008 0.000 1.231 93 I CB 1.077 39.109 38.000 0.054 0.000 1.434 93 I HN 0.228 nan 8.210 nan 0.000 0.487 94 V N 5.436 125.307 119.914 -0.071 0.000 2.334 94 V HA 0.244 4.362 4.120 -0.004 0.000 0.267 94 V C 0.636 176.622 176.094 -0.180 0.000 1.040 94 V CA -0.460 61.800 62.300 -0.068 0.000 0.866 94 V CB 0.908 32.827 31.823 0.160 0.000 1.019 94 V HN 0.788 nan 8.190 nan 0.000 0.468 95 T N 2.345 116.698 114.554 -0.335 0.000 2.867 95 T HA 0.849 5.197 4.350 -0.004 0.000 0.282 95 T C -0.307 174.273 174.700 -0.199 0.000 1.000 95 T CA -0.473 61.433 62.100 -0.323 0.000 1.042 95 T CB 1.937 70.605 68.868 -0.333 0.000 0.973 95 T HN 0.936 nan 8.240 nan 0.000 0.465 96 A N 1.981 124.658 122.820 -0.237 0.000 2.398 96 A HA 0.826 5.144 4.320 -0.004 0.000 0.301 96 A C 0.312 177.888 177.584 -0.013 0.000 1.041 96 A CA -0.716 51.278 52.037 -0.071 0.000 0.711 96 A CB 1.261 20.254 19.000 -0.012 0.000 1.240 96 A HN 1.319 nan 8.150 nan 0.000 0.420 97 G N 0.575 109.436 108.800 0.100 0.000 2.403 97 G HA2 0.480 4.437 3.960 -0.004 0.000 0.259 97 G HA3 0.480 4.437 3.960 -0.004 0.000 0.259 97 G C -0.219 174.747 174.900 0.110 0.000 1.244 97 G CA -0.037 45.172 45.100 0.182 0.000 0.849 97 G HN 0.853 nan 8.290 nan 0.000 0.532 98 Q N 0.629 120.506 119.800 0.128 0.000 2.297 98 Q HA 0.338 4.676 4.340 -0.004 0.000 0.268 98 Q C 0.228 176.321 176.000 0.154 0.000 1.045 98 Q CA -0.710 55.136 55.803 0.072 0.000 0.861 98 Q CB 1.167 29.902 28.738 -0.004 0.000 1.344 98 Q HN 0.475 nan 8.270 nan 0.000 0.452 99 Q N 0.576 120.442 119.800 0.111 0.000 2.469 99 Q HA 0.019 4.357 4.340 -0.004 0.000 0.279 99 Q C -0.459 175.489 176.000 -0.086 0.000 1.097 99 Q CA 0.485 56.370 55.803 0.136 0.000 0.951 99 Q CB 0.459 29.243 28.738 0.076 0.000 1.297 99 Q HN 0.843 nan 8.270 nan 0.000 0.465 100 T N 1.160 115.503 114.554 -0.351 0.000 2.946 100 T HA -0.020 4.328 4.350 -0.004 0.000 0.311 100 T C 1.424 175.974 174.700 -0.249 0.000 1.063 100 T CA 0.173 61.918 62.100 -0.591 0.000 1.139 100 T CB 0.341 68.818 68.868 -0.652 0.000 0.994 100 T HN 0.482 nan 8.240 nan 0.000 0.547 101 R N 3.026 123.395 120.500 -0.218 0.000 2.105 101 R HA -0.129 4.208 4.340 -0.004 0.000 0.239 101 R C 2.627 178.869 176.300 -0.097 0.000 1.135 101 R CA 1.487 57.506 56.100 -0.135 0.000 0.967 101 R CB -0.533 29.693 30.300 -0.123 0.000 0.861 101 R HN 0.760 nan 8.270 nan 0.000 0.442 102 A N 0.323 123.086 122.820 -0.096 0.000 2.024 102 A HA -0.133 4.184 4.320 -0.004 0.000 0.220 102 A C 1.875 179.434 177.584 -0.041 0.000 1.164 102 A CA 1.353 53.355 52.037 -0.059 0.000 0.643 102 A CB -0.173 18.797 19.000 -0.050 0.000 0.806 102 A HN 0.233 nan 8.150 nan 0.000 0.451 103 M N -1.277 118.296 119.600 -0.045 0.000 2.313 103 M HA 0.296 4.773 4.480 -0.004 0.000 0.273 103 M C 1.114 177.405 176.300 -0.015 0.000 1.049 103 M CA 0.054 55.345 55.300 -0.016 0.000 1.004 103 M CB 0.206 32.812 32.600 0.011 0.000 1.461 103 M HN 0.338 nan 8.290 nan 0.000 0.514 104 I N 0.050 120.600 120.570 -0.033 0.000 2.286 104 I HA -0.180 3.988 4.170 -0.004 0.000 0.248 104 I C 2.386 178.489 176.117 -0.024 0.000 1.115 104 I CA 1.499 62.781 61.300 -0.031 0.000 1.392 104 I CB -0.471 37.499 38.000 -0.049 0.000 1.065 104 I HN 0.365 nan 8.210 nan 0.000 0.418 105 G N -0.066 108.719 108.800 -0.024 0.000 2.394 105 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.215 105 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.215 105 G C 1.684 176.577 174.900 -0.013 0.000 1.165 105 G CA 0.597 45.685 45.100 -0.020 0.000 0.784 105 G HN 0.278 nan 8.290 nan 0.000 0.535 106 V N 0.420 120.329 119.914 -0.008 0.000 3.141 106 V HA 0.074 4.191 4.120 -0.004 0.000 0.265 106 V C 0.751 176.846 176.094 0.000 0.000 1.126 106 V CA 1.313 63.612 62.300 -0.003 0.000 1.141 106 V CB -0.799 31.025 31.823 0.001 0.000 0.743 106 V HN 0.645 nan 8.190 nan 0.000 0.492 107 E N -0.128 120.071 120.200 -0.001 0.000 2.252 107 E HA -0.205 4.143 4.350 -0.004 0.000 0.199 107 E C 0.388 176.995 176.600 0.012 0.000 1.352 107 E CA 0.132 56.533 56.400 0.002 0.000 0.682 107 E CB -1.474 28.225 29.700 -0.002 0.000 1.142 107 E HN 0.789 nan 8.360 nan 0.000 0.367 108 A N 1.004 123.835 122.820 0.020 0.000 2.475 108 A HA 0.268 4.585 4.320 -0.004 0.000 0.239 108 A C 0.498 178.104 177.584 0.037 0.000 1.087 108 A CA -0.232 51.825 52.037 0.033 0.000 0.779 108 A CB 0.366 19.396 19.000 0.049 0.000 1.036 108 A HN 0.386 nan 8.150 nan 0.000 0.506 109 L N 0.524 121.772 121.223 0.043 0.000 2.559 109 L HA 0.067 4.405 4.340 -0.004 0.000 0.282 109 L C 0.772 177.677 176.870 0.059 0.000 1.232 109 L CA 1.369 56.237 54.840 0.046 0.000 0.885 109 L CB -0.382 41.708 42.059 0.052 0.000 1.131 109 L HN 0.714 nan 8.230 nan 0.000 0.498 110 L N 2.031 123.279 121.223 0.040 0.000 4.560 110 L HA -0.236 4.102 4.340 -0.004 0.000 0.415 110 L C 0.255 177.127 176.870 0.002 0.000 1.123 110 L CA 0.501 55.348 54.840 0.012 0.000 0.991 110 L CB -2.414 39.679 42.059 0.056 0.000 2.127 110 L HN 0.772 nan 8.230 nan 0.000 0.765 111 T N 0.425 114.987 114.554 0.015 0.000 2.799 111 T HA 0.108 4.455 4.350 -0.004 0.000 0.296 111 T C 0.700 175.393 174.700 -0.011 0.000 0.947 111 T CA -0.098 62.005 62.100 0.005 0.000 1.141 111 T CB 0.668 69.538 68.868 0.004 0.000 0.891 111 T HN 0.150 nan 8.240 nan 0.000 0.533 112 N N 4.187 122.878 118.700 -0.015 0.000 2.421 112 N HA 0.080 4.818 4.740 -0.004 0.000 0.260 112 N C -0.437 175.066 175.510 -0.012 0.000 1.173 112 N CA -0.167 52.877 53.050 -0.009 0.000 0.960 112 N CB 0.105 38.601 38.487 0.014 0.000 1.273 112 N HN 0.292 nan 8.380 nan 0.000 0.497 113 V N 3.247 123.151 119.914 -0.017 0.000 2.572 113 V HA 0.009 4.127 4.120 -0.004 0.000 0.291 113 V C 0.828 176.906 176.094 -0.027 0.000 1.039 113 V CA -0.285 62.001 62.300 -0.023 0.000 1.055 113 V CB 0.685 32.496 31.823 -0.021 0.000 0.969 113 V HN 0.722 nan 8.190 nan 0.000 0.482 114 D N 3.394 123.774 120.400 -0.033 0.000 2.689 114 D HA -0.242 4.396 4.640 -0.004 0.000 0.237 114 D C 1.253 177.532 176.300 -0.036 0.000 1.148 114 D CA 0.927 54.904 54.000 -0.038 0.000 0.656 114 D CB -0.584 40.193 40.800 -0.038 0.000 1.050 114 D HN 0.807 nan 8.370 nan 0.000 0.426 115 A N 0.507 123.315 122.820 -0.020 0.000 1.908 115 A HA 0.035 4.353 4.320 -0.004 0.000 0.218 115 A C 2.519 180.140 177.584 0.061 0.000 1.181 115 A CA 2.579 54.638 52.037 0.036 0.000 0.627 115 A CB -0.764 18.271 19.000 0.058 0.000 0.818 115 A HN 0.806 nan 8.150 nan 0.000 0.445 116 A N -0.162 122.667 122.820 0.015 0.000 1.972 116 A HA -0.177 4.141 4.320 -0.004 0.000 0.219 116 A C 1.851 179.394 177.584 -0.068 0.000 1.169 116 A CA 1.724 53.761 52.037 0.000 0.000 0.635 116 A CB -0.560 18.402 19.000 -0.063 0.000 0.810 116 A HN 0.544 nan 8.150 nan 0.000 0.446 117 N N -0.414 118.240 118.700 -0.077 0.000 2.396 117 N HA -0.072 4.666 4.740 -0.004 0.000 0.180 117 N C 1.499 176.927 175.510 -0.136 0.000 1.028 117 N CA 0.944 53.937 53.050 -0.096 0.000 0.893 117 N CB -0.369 38.075 38.487 -0.072 0.000 0.967 117 N HN 0.449 nan 8.380 nan 0.000 0.440 118 L N 2.672 123.798 121.223 -0.162 0.000 1.970 118 L HA -0.034 4.304 4.340 -0.004 0.000 0.212 118 L C -0.897 175.813 176.870 -0.267 0.000 1.071 118 L CA 2.058 56.779 54.840 -0.198 0.000 0.751 118 L CB -1.525 40.417 42.059 -0.195 0.000 0.889 118 L HN 0.090 nan 8.230 nan 0.000 0.432 119 P HA -0.138 nan 4.420 nan 0.000 0.223 119 P C 0.066 177.209 177.300 -0.263 0.000 1.151 119 P CA 0.724 63.588 63.100 -0.393 0.000 0.787 119 P CB -0.157 31.169 31.700 -0.624 0.000 0.788 120 R N 1.633 121.998 120.500 -0.226 0.000 2.698 120 R HA 0.081 4.419 4.340 -0.004 0.000 0.266 120 R C -1.409 174.764 176.300 -0.212 0.000 1.026 120 R CA -0.799 55.179 56.100 -0.203 0.000 1.102 120 R CB -0.312 29.897 30.300 -0.151 0.000 0.978 120 R HN 0.153 nan 8.270 nan 0.000 0.436 121 P HA 0.090 nan 4.420 nan 0.000 0.249 121 P C 0.022 176.949 177.300 -0.621 0.000 1.583 121 P CA 0.388 63.276 63.100 -0.353 0.000 0.988 121 P CB 0.253 31.764 31.700 -0.315 0.000 1.530 122 L N -0.308 120.617 121.223 -0.496 0.000 2.700 122 L HA 0.202 4.540 4.340 -0.004 0.000 0.234 122 L C 0.649 177.397 176.870 -0.203 0.000 1.156 122 L CA -0.335 54.170 54.840 -0.559 0.000 0.946 122 L CB 0.357 42.250 42.059 -0.276 0.000 1.216 122 L HN -0.129 nan 8.230 nan 0.000 0.493 123 V N -5.027 114.808 119.914 -0.131 0.000 2.823 123 V HA 0.389 4.507 4.120 -0.004 0.000 0.312 123 V C 0.777 177.083 176.094 0.353 0.000 1.072 123 V CA -1.033 61.387 62.300 0.201 0.000 0.937 123 V CB 2.162 34.064 31.823 0.131 0.000 1.013 123 V HN 0.055 nan 8.190 nan 0.000 0.430 124 K N 1.195 121.906 120.400 0.520 0.000 2.097 124 K HA 0.008 4.325 4.320 -0.004 0.000 0.206 124 K C -0.135 176.719 176.600 0.423 0.000 1.049 124 K CA 2.054 58.625 56.287 0.474 0.000 0.933 124 K CB 0.115 32.814 32.500 0.333 0.000 0.717 124 K HN 0.766 nan 8.250 nan 0.000 0.442 125 W N -0.245 121.150 121.300 0.158 0.000 3.425 125 W HA 0.304 4.962 4.660 -0.004 0.000 0.318 125 W C -1.636 174.977 176.519 0.156 0.000 1.201 125 W CA -0.585 56.832 57.345 0.120 0.000 1.212 125 W CB 1.937 31.443 29.460 0.078 0.000 1.355 125 W HN -0.347 nan 8.180 nan 0.000 0.515 126 S N 5.012 120.450 115.700 -0.437 0.000 2.571 126 S HA 0.729 5.197 4.470 -0.004 0.000 0.284 126 S C -2.256 172.017 174.600 -0.544 0.000 1.128 126 S CA -0.327 57.687 58.200 -0.310 0.000 0.970 126 S CB 0.773 63.926 63.200 -0.078 0.000 1.039 126 S HN 0.451 nan 8.310 nan 0.000 0.485 127 Y N 2.279 122.182 120.300 -0.660 0.000 2.519 127 Y HA 0.496 5.044 4.550 -0.004 0.000 0.336 127 Y C -1.232 174.477 175.900 -0.318 0.000 1.089 127 Y CA -0.811 56.913 58.100 -0.627 0.000 1.025 127 Y CB 1.682 39.458 38.460 -1.141 0.000 1.318 127 Y HN 0.706 nan 8.280 nan 0.000 0.452 128 E N 6.943 126.654 120.200 -0.814 0.000 2.185 128 E HA 0.487 4.835 4.350 -0.004 0.000 0.261 128 E C -2.780 173.240 176.600 -0.966 0.000 0.879 128 E CA -2.483 53.519 56.400 -0.664 0.000 0.756 128 E CB 1.513 30.991 29.700 -0.370 0.000 1.152 128 E HN 0.305 nan 8.360 nan 0.000 0.416 129 P HA 0.032 nan 4.420 nan 0.000 0.269 129 P C -0.241 176.924 177.300 -0.224 0.000 1.209 129 P CA 0.102 62.999 63.100 -0.338 0.000 0.776 129 P CB 1.052 32.723 31.700 -0.049 0.000 0.876 130 A N 1.500 124.267 122.820 -0.088 0.000 2.206 130 A HA 0.211 4.529 4.320 -0.004 0.000 0.211 130 A C 0.706 178.258 177.584 -0.052 0.000 1.158 130 A CA 1.186 53.186 52.037 -0.062 0.000 0.761 130 A CB -0.553 18.449 19.000 0.003 0.000 0.801 130 A HN 0.638 nan 8.150 nan 0.000 0.473 131 S N -4.168 111.503 115.700 -0.047 0.000 2.611 131 S HA 0.623 5.090 4.470 -0.004 0.000 0.268 131 S C 0.635 175.193 174.600 -0.070 0.000 1.156 131 S CA -0.032 58.136 58.200 -0.053 0.000 0.817 131 S CB 0.932 64.118 63.200 -0.024 0.000 1.122 131 S HN 0.908 nan 8.310 nan 0.000 0.466 132 A N 1.054 123.825 122.820 -0.083 0.000 1.898 132 A HA 0.381 4.699 4.320 -0.004 0.000 0.216 132 A C 2.271 179.818 177.584 -0.061 0.000 1.181 132 A CA 1.765 53.734 52.037 -0.113 0.000 0.620 132 A CB -1.564 17.375 19.000 -0.101 0.000 0.819 132 A HN 1.681 nan 8.150 nan 0.000 0.442 133 A N -0.455 122.355 122.820 -0.016 0.000 2.070 133 A HA -0.145 4.173 4.320 -0.004 0.000 0.220 133 A C 1.923 179.530 177.584 0.039 0.000 1.159 133 A CA 1.621 53.669 52.037 0.018 0.000 0.656 133 A CB -0.466 18.546 19.000 0.019 0.000 0.800 133 A HN 0.677 nan 8.150 nan 0.000 0.453 134 E N -0.057 120.168 120.200 0.042 0.000 2.268 134 E HA -0.087 4.261 4.350 -0.004 0.000 0.195 134 E C 1.680 178.368 176.600 0.146 0.000 0.995 134 E CA 0.896 57.362 56.400 0.109 0.000 0.836 134 E CB -0.119 29.661 29.700 0.134 0.000 0.763 134 E HN 0.352 nan 8.360 nan 0.000 0.491 135 V N 1.653 121.596 119.914 0.049 0.000 2.252 135 V HA -0.235 3.882 4.120 -0.004 0.000 0.249 135 V C -0.745 175.417 176.094 0.113 0.000 1.056 135 V CA 2.356 64.664 62.300 0.014 0.000 1.022 135 V CB -1.386 30.307 31.823 -0.216 0.000 0.641 135 V HN 0.323 nan 8.190 nan 0.000 0.445 136 P HA -0.192 nan 4.420 nan 0.000 0.215 136 P C 1.708 179.121 177.300 0.188 0.000 1.153 136 P CA 1.668 64.882 63.100 0.190 0.000 0.853 136 P CB -0.232 31.586 31.700 0.197 0.000 0.788 137 H N -0.003 119.125 119.070 0.096 0.000 2.321 137 H HA -0.103 4.450 4.556 -0.004 0.000 0.300 137 H C 1.778 177.167 175.328 0.103 0.000 1.087 137 H CA 1.845 57.940 56.048 0.078 0.000 1.319 137 H CB -0.370 29.427 29.762 0.058 0.000 1.379 137 H HN -0.034 nan 8.280 nan 0.000 0.501 138 A N 1.081 124.000 122.820 0.165 0.000 1.908 138 A HA -0.225 4.093 4.320 -0.004 0.000 0.218 138 A C 2.493 180.197 177.584 0.199 0.000 1.181 138 A CA 2.017 54.205 52.037 0.251 0.000 0.627 138 A CB -0.736 18.551 19.000 0.478 0.000 0.818 138 A HN 0.513 nan 8.150 nan 0.000 0.445 139 M N -0.394 119.308 119.600 0.170 0.000 2.175 139 M HA -0.061 4.417 4.480 -0.004 0.000 0.264 139 M C 2.260 178.600 176.300 0.067 0.000 1.063 139 M CA 1.977 57.376 55.300 0.166 0.000 1.119 139 M CB -0.552 32.170 32.600 0.202 0.000 1.377 139 M HN 0.379 nan 8.290 nan 0.000 0.415 140 S N -0.122 115.586 115.700 0.013 0.000 2.353 140 S HA -0.177 4.291 4.470 -0.004 0.000 0.222 140 S C 2.055 176.577 174.600 -0.130 0.000 1.035 140 S CA 1.693 59.870 58.200 -0.038 0.000 1.025 140 S CB -0.178 63.025 63.200 0.005 0.000 0.902 140 S HN 0.597 nan 8.310 nan 0.000 0.440 141 R N 0.674 120.992 120.500 -0.303 0.000 2.091 141 R HA -0.085 4.252 4.340 -0.004 0.000 0.238 141 R C 2.629 178.598 176.300 -0.551 0.000 1.136 141 R CA 1.441 57.212 56.100 -0.548 0.000 0.959 141 R CB -0.655 29.085 30.300 -0.935 0.000 0.856 141 R HN 0.504 nan 8.270 nan 0.000 0.437 142 A N 1.133 123.783 122.820 -0.283 0.000 1.883 142 A HA -0.169 4.148 4.320 -0.004 0.000 0.217 142 A C 2.174 179.752 177.584 -0.010 0.000 1.186 142 A CA 1.381 53.438 52.037 0.033 0.000 0.624 142 A CB -0.533 18.646 19.000 0.299 0.000 0.822 142 A HN 0.205 nan 8.150 nan 0.000 0.444 143 I N -1.179 119.350 120.570 -0.069 0.000 2.179 143 I HA -0.252 3.916 4.170 -0.004 0.000 0.242 143 I C 2.488 178.486 176.117 -0.199 0.000 1.088 143 I CA 1.370 62.595 61.300 -0.125 0.000 1.357 143 I CB -0.526 37.337 38.000 -0.229 0.000 1.051 143 I HN 0.406 nan 8.210 nan 0.000 0.409 144 H N -0.141 118.881 119.070 -0.081 0.000 2.395 144 H HA -0.042 4.512 4.556 -0.004 0.000 0.299 144 H C 2.354 177.605 175.328 -0.127 0.000 1.070 144 H CA 1.145 57.126 56.048 -0.113 0.000 1.356 144 H CB -0.148 29.522 29.762 -0.153 0.000 1.401 144 H HN 0.241 nan 8.280 nan 0.000 0.524 145 M N 0.452 120.004 119.600 -0.079 0.000 2.117 145 M HA -0.072 4.406 4.480 -0.004 0.000 0.262 145 M C 2.549 178.855 176.300 0.010 0.000 1.065 145 M CA 1.099 56.348 55.300 -0.085 0.000 1.114 145 M CB -0.995 31.491 32.600 -0.190 0.000 1.361 145 M HN 0.216 nan 8.290 nan 0.000 0.408 146 A N -0.860 121.983 122.820 0.039 0.000 1.969 146 A HA -0.073 4.244 4.320 -0.004 0.000 0.218 146 A C 2.409 180.014 177.584 0.036 0.000 1.169 146 A CA 1.925 54.001 52.037 0.065 0.000 0.635 146 A CB -0.511 18.542 19.000 0.088 0.000 0.810 146 A HN 0.502 nan 8.150 nan 0.000 0.445 147 S N -0.806 114.905 115.700 0.020 0.000 2.439 147 S HA 0.217 4.684 4.470 -0.004 0.000 0.224 147 S C 0.864 175.462 174.600 -0.003 0.000 1.029 147 S CA 0.042 58.252 58.200 0.017 0.000 0.946 147 S CB -0.181 63.034 63.200 0.025 0.000 0.797 147 S HN 0.537 nan 8.310 nan 0.000 0.504 148 M N 1.875 121.466 119.600 -0.014 0.000 2.243 148 M HA 0.287 4.764 4.480 -0.004 0.000 0.341 148 M C 0.302 176.563 176.300 -0.066 0.000 1.130 148 M CA -0.391 54.882 55.300 -0.044 0.000 1.162 148 M CB 0.417 32.983 32.600 -0.056 0.000 1.497 148 M HN 0.169 nan 8.290 nan 0.000 0.456 149 A N 4.760 127.529 122.820 -0.084 0.000 2.462 149 A HA 0.429 4.747 4.320 -0.004 0.000 0.243 149 A C -2.232 175.267 177.584 -0.142 0.000 1.076 149 A CA -1.168 50.791 52.037 -0.129 0.000 0.773 149 A CB -0.671 18.257 19.000 -0.120 0.000 1.010 149 A HN 0.524 nan 8.150 nan 0.000 0.493 150 P HA 0.136 nan 4.420 nan 0.000 0.276 150 P C -0.529 176.604 177.300 -0.278 0.000 1.243 150 P CA -0.072 62.793 63.100 -0.391 0.000 0.768 150 P CB 0.578 31.938 31.700 -0.566 0.000 0.856 151 Q N 1.163 120.838 119.800 -0.209 0.000 2.474 151 Q HA 0.486 4.823 4.340 -0.004 0.000 0.256 151 Q C 0.701 176.695 176.000 -0.011 0.000 1.048 151 Q CA 0.454 56.219 55.803 -0.063 0.000 0.922 151 Q CB 0.374 29.105 28.738 -0.011 0.000 1.288 151 Q HN 0.754 nan 8.270 nan 0.000 0.484 152 G N 0.833 109.658 108.800 0.043 0.000 2.338 152 G HA2 0.263 4.221 3.960 -0.004 0.000 0.295 152 G HA3 0.263 4.221 3.960 -0.004 0.000 0.295 152 G C -3.100 171.889 174.900 0.148 0.000 1.461 152 G CA -0.960 44.190 45.100 0.084 0.000 0.817 152 G HN 0.366 nan 8.290 nan 0.000 0.556 153 P HA 0.428 nan 4.420 nan 0.000 0.271 153 P C 0.047 177.500 177.300 0.255 0.000 1.216 153 P CA -0.071 63.155 63.100 0.209 0.000 0.771 153 P CB 1.466 33.293 31.700 0.211 0.000 0.864 154 V N 1.317 121.376 119.914 0.241 0.000 3.001 154 V HA 0.642 4.760 4.120 -0.004 0.000 0.314 154 V C -1.464 174.810 176.094 0.300 0.000 1.099 154 V CA -1.118 61.372 62.300 0.316 0.000 0.989 154 V CB 2.216 34.267 31.823 0.380 0.000 1.040 154 V HN 0.459 nan 8.190 nan 0.000 0.434 155 Y N 3.067 123.435 120.300 0.112 0.000 2.391 155 Y HA 0.828 5.376 4.550 -0.004 0.000 0.341 155 Y C -1.299 174.586 175.900 -0.025 0.000 0.965 155 Y CA -1.269 56.838 58.100 0.013 0.000 1.067 155 Y CB 2.048 40.486 38.460 -0.038 0.000 1.199 155 Y HN 0.869 nan 8.280 nan 0.000 0.450 156 L N 5.267 126.194 121.223 -0.494 0.000 2.372 156 L HA 0.547 4.885 4.340 -0.004 0.000 0.274 156 L C -0.953 175.560 176.870 -0.596 0.000 0.988 156 L CA -0.201 54.414 54.840 -0.374 0.000 0.833 156 L CB 1.844 43.868 42.059 -0.059 0.000 1.236 156 L HN 0.591 nan 8.230 nan 0.000 0.410 157 S N 4.224 119.625 115.700 -0.499 0.000 2.429 157 S HA 0.744 5.212 4.470 -0.004 0.000 0.302 157 S C -0.906 173.570 174.600 -0.207 0.000 1.115 157 S CA -0.459 57.531 58.200 -0.349 0.000 1.095 157 S CB 0.652 63.713 63.200 -0.232 0.000 0.987 157 S HN 0.405 nan 8.310 nan 0.000 0.474 158 V N 8.266 128.111 119.914 -0.115 0.000 2.376 158 V HA 0.415 4.533 4.120 -0.004 0.000 0.287 158 V C -2.362 173.710 176.094 -0.037 0.000 1.015 158 V CA -2.110 60.119 62.300 -0.117 0.000 0.834 158 V CB 1.432 33.190 31.823 -0.108 0.000 1.001 158 V HN 0.710 nan 8.190 nan 0.000 0.428 159 P HA -0.007 nan 4.420 nan 0.000 0.264 159 P C 0.258 177.536 177.300 -0.037 0.000 1.193 159 P CA 0.119 63.169 63.100 -0.082 0.000 0.763 159 P CB 0.195 31.797 31.700 -0.163 0.000 0.810 160 Y N 2.848 123.215 120.300 0.111 0.000 2.421 160 Y HA -0.137 4.411 4.550 -0.003 0.000 0.292 160 Y C 1.462 177.502 175.900 0.234 0.000 1.136 160 Y CA 1.212 59.477 58.100 0.276 0.000 1.255 160 Y CB -1.272 37.357 38.460 0.282 0.000 0.991 160 Y HN 0.276 nan 8.280 nan 0.000 0.552 161 D N -0.328 119.959 120.400 -0.188 0.000 2.371 161 D HA -0.155 4.483 4.640 -0.004 0.000 0.221 161 D C 0.699 176.974 176.300 -0.042 0.000 0.986 161 D CA 0.846 54.794 54.000 -0.088 0.000 0.899 161 D CB -0.370 40.290 40.800 -0.233 0.000 0.902 161 D HN 0.377 nan 8.370 nan 0.000 0.530 162 D N 0.408 120.712 120.400 -0.160 0.000 2.178 162 D HA -0.095 4.542 4.640 -0.004 0.000 0.202 162 D C 1.625 177.831 176.300 -0.157 0.000 0.974 162 D CA 0.699 54.542 54.000 -0.261 0.000 0.841 162 D CB -0.552 39.942 40.800 -0.511 0.000 0.953 162 D HN 0.435 nan 8.370 nan 0.000 0.478 163 W N 1.273 122.683 121.300 0.183 0.000 2.388 163 W HA -0.071 4.587 4.660 -0.004 0.000 0.294 163 W C 1.718 178.367 176.519 0.216 0.000 1.212 163 W CA 0.360 57.860 57.345 0.258 0.000 1.271 163 W CB -0.123 29.561 29.460 0.374 0.000 1.126 163 W HN -0.123 nan 8.180 nan 0.000 0.535 164 D N 0.017 120.623 120.400 0.344 0.000 2.347 164 D HA -0.053 4.585 4.640 -0.004 0.000 0.215 164 D C 0.905 177.293 176.300 0.147 0.000 0.976 164 D CA 0.866 54.992 54.000 0.209 0.000 0.884 164 D CB -0.229 40.665 40.800 0.156 0.000 0.915 164 D HN -0.083 nan 8.370 nan 0.000 0.526 165 K N 1.482 121.955 120.400 0.123 0.000 2.219 165 K HA 0.082 4.400 4.320 -0.004 0.000 0.258 165 K C -0.023 176.632 176.600 0.092 0.000 1.008 165 K CA -0.333 56.000 56.287 0.076 0.000 0.928 165 K CB 0.376 32.895 32.500 0.031 0.000 0.983 165 K HN -0.065 nan 8.250 nan 0.000 0.484 166 D N 0.910 121.352 120.400 0.070 0.000 2.417 166 D HA 0.117 4.754 4.640 -0.004 0.000 0.250 166 D C 0.070 176.415 176.300 0.075 0.000 1.166 166 D CA 0.230 54.274 54.000 0.074 0.000 0.881 166 D CB 0.613 41.447 40.800 0.055 0.000 1.164 166 D HN 0.440 nan 8.370 nan 0.000 0.467 167 A N 2.507 125.386 122.820 0.099 0.000 2.332 167 A HA 0.147 4.465 4.320 -0.004 0.000 0.258 167 A C 0.383 178.014 177.584 0.079 0.000 1.087 167 A CA -0.533 51.563 52.037 0.099 0.000 0.802 167 A CB 0.466 19.552 19.000 0.142 0.000 1.042 167 A HN 0.458 nan 8.150 nan 0.000 0.489 168 D N 1.016 121.455 120.400 0.065 0.000 2.390 168 D HA 0.220 4.858 4.640 -0.004 0.000 0.249 168 D C -1.543 174.797 176.300 0.066 0.000 1.144 168 D CA -1.542 52.490 54.000 0.054 0.000 0.880 168 D CB 1.137 41.959 40.800 0.036 0.000 1.182 168 D HN 0.118 nan 8.370 nan 0.000 0.451 169 P HA -0.112 nan 4.420 nan 0.000 0.219 169 P C 1.000 178.391 177.300 0.151 0.000 1.146 169 P CA 0.813 63.970 63.100 0.094 0.000 0.808 169 P CB 0.303 32.046 31.700 0.072 0.000 0.779 170 Q N -0.810 119.053 119.800 0.106 0.000 2.500 170 Q HA 0.002 4.340 4.340 -0.004 0.000 0.213 170 Q C 1.846 177.816 176.000 -0.049 0.000 0.974 170 Q CA 0.836 56.691 55.803 0.085 0.000 0.918 170 Q CB -0.803 27.996 28.738 0.101 0.000 0.980 170 Q HN 0.278 nan 8.270 nan 0.000 0.505 171 S N 0.584 116.247 115.700 -0.061 0.000 2.469 171 S HA -0.127 4.340 4.470 -0.004 0.000 0.238 171 S C 1.579 175.886 174.600 -0.488 0.000 0.998 171 S CA 0.826 58.936 58.200 -0.151 0.000 0.957 171 S CB -0.364 62.811 63.200 -0.042 0.000 0.764 171 S HN 0.612 nan 8.310 nan 0.000 0.514 172 H N 0.848 119.567 119.070 -0.586 0.000 2.456 172 H HA -0.084 4.469 4.556 -0.004 0.000 0.296 172 H C 1.435 176.346 175.328 -0.696 0.000 1.079 172 H CA 1.464 56.909 56.048 -1.006 0.000 1.322 172 H CB -0.703 28.771 29.762 -0.481 0.000 1.388 172 H HN 0.489 nan 8.280 nan 0.000 0.538 173 H N 1.155 119.692 119.070 -0.888 0.000 2.457 173 H HA -0.041 4.513 4.556 -0.004 0.000 0.297 173 H C 2.582 177.774 175.328 -0.226 0.000 1.092 173 H CA 1.189 56.943 56.048 -0.491 0.000 1.309 173 H CB 0.150 29.667 29.762 -0.408 0.000 1.382 173 H HN 0.394 nan 8.280 nan 0.000 0.535 174 L N -0.392 120.747 121.223 -0.139 0.000 2.141 174 L HA -0.148 4.190 4.340 -0.004 0.000 0.209 174 L C 2.313 179.281 176.870 0.162 0.000 1.094 174 L CA 0.546 55.398 54.840 0.021 0.000 0.763 174 L CB -0.539 41.542 42.059 0.038 0.000 0.908 174 L HN 0.062 nan 8.230 nan 0.000 0.437 175 F N 0.630 120.646 119.950 0.111 0.000 2.091 175 F HA -0.251 4.274 4.527 -0.004 0.000 0.299 175 F C 1.871 177.741 175.800 0.118 0.000 1.103 175 F CA 1.188 59.255 58.000 0.112 0.000 1.228 175 F CB -0.674 38.391 39.000 0.108 0.000 0.984 175 F HN 0.164 nan 8.300 nan 0.000 0.477 176 D N -0.644 119.942 120.400 0.310 0.000 2.462 176 D HA 0.066 4.704 4.640 -0.004 0.000 0.221 176 D C 0.277 176.696 176.300 0.199 0.000 1.173 176 D CA -0.067 54.070 54.000 0.227 0.000 0.831 176 D CB -0.043 40.871 40.800 0.190 0.000 1.001 176 D HN 0.095 nan 8.370 nan 0.000 0.499 177 R N 1.338 121.958 120.500 0.201 0.000 2.480 177 R HA 0.015 4.353 4.340 -0.004 0.000 0.303 177 R C 0.379 176.789 176.300 0.183 0.000 0.985 177 R CA 0.365 56.549 56.100 0.140 0.000 1.051 177 R CB 0.322 30.677 30.300 0.090 0.000 0.935 177 R HN 0.219 nan 8.270 nan 0.000 0.410 178 H N 3.337 122.425 119.070 0.030 0.000 2.504 178 H HA 0.286 4.839 4.556 -0.004 0.000 0.322 178 H C -1.148 174.140 175.328 -0.067 0.000 1.055 178 H CA -0.644 55.424 56.048 0.033 0.000 1.231 178 H CB 1.099 30.883 29.762 0.038 0.000 1.417 178 H HN 0.199 nan 8.280 nan 0.000 0.472 179 V N 4.205 123.755 119.914 -0.608 0.000 2.459 179 V HA 0.217 4.335 4.120 -0.004 0.000 0.295 179 V C 0.145 175.912 176.094 -0.545 0.000 1.029 179 V CA -0.640 61.365 62.300 -0.492 0.000 0.874 179 V CB 1.621 33.187 31.823 -0.428 0.000 0.985 179 V HN 0.756 nan 8.190 nan 0.000 0.438 180 S N 2.142 117.660 115.700 -0.303 0.000 2.473 180 S HA 0.520 4.987 4.470 -0.004 0.000 0.307 180 S C 0.439 174.987 174.600 -0.087 0.000 1.094 180 S CA -0.061 58.049 58.200 -0.150 0.000 1.070 180 S CB 1.567 64.776 63.200 0.016 0.000 1.019 180 S HN 0.970 nan 8.310 nan 0.000 0.480 181 S N 2.330 117.992 115.700 -0.064 0.000 2.754 181 S HA 0.199 4.666 4.470 -0.004 0.000 0.247 181 S C 0.316 174.897 174.600 -0.032 0.000 1.031 181 S CA -0.406 57.763 58.200 -0.052 0.000 1.014 181 S CB 0.377 63.539 63.200 -0.063 0.000 0.918 181 S HN 0.476 nan 8.310 nan 0.000 0.519 182 S N 2.702 118.395 115.700 -0.012 0.000 4.183 182 S HA 0.425 4.893 4.470 -0.004 0.000 0.195 182 S C 0.237 174.835 174.600 -0.003 0.000 1.421 182 S CA -0.414 57.786 58.200 -0.001 0.000 0.920 182 S CB -1.192 62.021 63.200 0.021 0.000 1.525 182 S HN 0.614 nan 8.310 nan 0.000 0.447 183 V N 2.369 122.275 119.914 -0.013 0.000 2.881 183 V HA 0.979 5.096 4.120 -0.004 0.000 0.316 183 V C -0.546 175.540 176.094 -0.014 0.000 1.070 183 V CA -1.287 61.005 62.300 -0.014 0.000 0.976 183 V CB 1.744 33.554 31.823 -0.021 0.000 1.038 183 V HN 0.694 nan 8.190 nan 0.000 0.446 184 R N 2.175 122.668 120.500 -0.011 0.000 2.817 184 R HA 0.766 5.103 4.340 -0.004 0.000 0.268 184 R C -1.038 175.256 176.300 -0.010 0.000 1.027 184 R CA -1.051 55.043 56.100 -0.010 0.000 0.928 184 R CB 0.513 30.810 30.300 -0.005 0.000 1.228 184 R HN 0.760 nan 8.270 nan 0.000 0.469 185 L N 2.070 123.287 121.223 -0.010 0.000 2.490 185 L HA 0.204 4.542 4.340 -0.004 0.000 0.274 185 L C -0.391 176.475 176.870 -0.007 0.000 1.201 185 L CA 0.366 55.200 54.840 -0.010 0.000 0.869 185 L CB -0.036 42.018 42.059 -0.009 0.000 1.123 185 L HN 0.899 nan 8.230 nan 0.000 0.484 186 N N 2.050 120.745 118.700 -0.007 0.000 2.305 186 N HA -0.096 4.641 4.740 -0.004 0.000 0.232 186 N C 0.459 175.967 175.510 -0.004 0.000 1.274 186 N CA 0.226 53.273 53.050 -0.006 0.000 0.870 186 N CB 0.236 38.720 38.487 -0.006 0.000 1.105 186 N HN 0.611 nan 8.380 nan 0.000 0.436 187 D N -0.043 120.355 120.400 -0.003 0.000 2.126 187 D HA -0.268 4.369 4.640 -0.004 0.000 0.190 187 D C 1.561 177.860 176.300 -0.001 0.000 1.001 187 D CA 1.569 55.568 54.000 -0.001 0.000 0.841 187 D CB -0.412 40.387 40.800 -0.001 0.000 0.949 187 D HN 0.810 nan 8.370 nan 0.000 0.446 188 Q N 0.203 120.002 119.800 -0.002 0.000 2.030 188 Q HA -0.174 4.163 4.340 -0.004 0.000 0.204 188 Q C 1.363 177.362 176.000 -0.001 0.000 0.986 188 Q CA 1.737 57.539 55.803 -0.001 0.000 0.843 188 Q CB 0.118 28.855 28.738 -0.002 0.000 0.904 188 Q HN 0.212 nan 8.270 nan 0.000 0.420 189 D N 0.138 120.536 120.400 -0.003 0.000 2.224 189 D HA -0.113 4.524 4.640 -0.004 0.000 0.205 189 D C 1.915 178.214 176.300 -0.002 0.000 0.965 189 D CA 0.422 54.420 54.000 -0.003 0.000 0.852 189 D CB -0.026 40.771 40.800 -0.005 0.000 0.947 189 D HN 0.220 nan 8.370 nan 0.000 0.494 190 L N 1.426 122.648 121.223 -0.002 0.000 2.027 190 L HA -0.145 4.193 4.340 -0.004 0.000 0.206 190 L C 1.388 178.259 176.870 0.002 0.000 1.074 190 L CA 1.815 56.655 54.840 -0.000 0.000 0.745 190 L CB -0.463 41.596 42.059 -0.000 0.000 0.898 190 L HN -0.222 nan 8.230 nan 0.000 0.433 191 D N -0.292 120.110 120.400 0.002 0.000 2.123 191 D HA -0.216 4.421 4.640 -0.004 0.000 0.196 191 D C 2.308 178.610 176.300 0.004 0.000 0.992 191 D CA 1.818 55.820 54.000 0.003 0.000 0.833 191 D CB -0.202 40.600 40.800 0.003 0.000 0.954 191 D HN 0.413 nan 8.370 nan 0.000 0.455 192 I N 0.066 120.638 120.570 0.003 0.000 2.208 192 I HA -0.251 3.917 4.170 -0.004 0.000 0.245 192 I C 2.247 178.367 176.117 0.004 0.000 1.097 192 I CA 0.582 61.884 61.300 0.003 0.000 1.363 192 I CB -0.143 37.858 38.000 0.001 0.000 1.051 192 I HN 0.065 nan 8.210 nan 0.000 0.413 193 L N 0.376 121.601 121.223 0.003 0.000 2.027 193 L HA -0.124 4.213 4.340 -0.004 0.000 0.206 193 L C 2.382 179.257 176.870 0.008 0.000 1.074 193 L CA 1.715 56.557 54.840 0.004 0.000 0.745 193 L CB -0.514 41.546 42.059 0.002 0.000 0.898 193 L HN -0.044 nan 8.230 nan 0.000 0.433 194 V N -0.011 119.908 119.914 0.008 0.000 2.287 194 V HA -0.329 3.789 4.120 -0.004 0.000 0.248 194 V C 2.630 178.731 176.094 0.011 0.000 1.053 194 V CA 2.147 64.453 62.300 0.010 0.000 1.027 194 V CB -0.698 31.130 31.823 0.009 0.000 0.646 194 V HN 0.469 nan 8.190 nan 0.000 0.447 195 K N 0.057 120.463 120.400 0.010 0.000 2.103 195 K HA -0.171 4.147 4.320 -0.004 0.000 0.207 195 K C 2.268 178.875 176.600 0.012 0.000 1.048 195 K CA 1.526 57.819 56.287 0.010 0.000 0.930 195 K CB -0.405 32.100 32.500 0.008 0.000 0.716 195 K HN 0.499 nan 8.250 nan 0.000 0.444 196 A N 1.267 124.094 122.820 0.012 0.000 1.930 196 A HA -0.101 4.217 4.320 -0.004 0.000 0.217 196 A C 2.088 179.683 177.584 0.019 0.000 1.175 196 A CA 1.103 53.149 52.037 0.014 0.000 0.627 196 A CB -0.483 18.525 19.000 0.012 0.000 0.815 196 A HN 0.141 nan 8.150 nan 0.000 0.443 197 L N -0.371 120.864 121.223 0.019 0.000 2.056 197 L HA -0.179 4.159 4.340 -0.004 0.000 0.207 197 L C 2.278 179.162 176.870 0.024 0.000 1.078 197 L CA 1.145 55.998 54.840 0.023 0.000 0.749 197 L CB -0.695 41.377 42.059 0.020 0.000 0.901 197 L HN 0.338 nan 8.230 nan 0.000 0.433 198 N N -0.181 118.531 118.700 0.020 0.000 2.104 198 N HA -0.151 4.587 4.740 -0.004 0.000 0.190 198 N C 1.950 177.472 175.510 0.021 0.000 1.024 198 N CA 1.576 54.639 53.050 0.020 0.000 0.853 198 N CB -0.296 38.201 38.487 0.016 0.000 1.008 198 N HN 0.159 nan 8.380 nan 0.000 0.424 199 S N 0.234 115.945 115.700 0.019 0.000 2.489 199 S HA 0.180 4.647 4.470 -0.004 0.000 0.228 199 S C 0.857 175.471 174.600 0.023 0.000 0.995 199 S CA -0.046 58.165 58.200 0.019 0.000 0.934 199 S CB -0.075 63.135 63.200 0.016 0.000 0.771 199 S HN 0.460 nan 8.310 nan 0.000 0.522 200 A N 1.923 124.760 122.820 0.029 0.000 2.511 200 A HA 0.310 4.628 4.320 -0.004 0.000 0.242 200 A C 1.397 179.004 177.584 0.038 0.000 1.069 200 A CA 0.164 52.223 52.037 0.037 0.000 0.763 200 A CB 0.191 19.219 19.000 0.047 0.000 1.001 200 A HN 0.410 nan 8.150 nan 0.000 0.498 201 S N 1.367 117.089 115.700 0.036 0.000 2.425 201 S HA 0.002 4.469 4.470 -0.004 0.000 0.225 201 S C 0.707 175.334 174.600 0.044 0.000 1.024 201 S CA 0.929 59.148 58.200 0.031 0.000 0.951 201 S CB -0.102 63.109 63.200 0.018 0.000 0.796 201 S HN 0.748 nan 8.310 nan 0.000 0.498 202 N N 2.193 120.933 118.700 0.067 0.000 2.711 202 N HA 0.403 5.140 4.740 -0.004 0.000 0.263 202 N C -3.248 172.413 175.510 0.250 0.000 1.667 202 N CA -1.867 51.252 53.050 0.114 0.000 0.785 202 N CB 1.372 39.867 38.487 0.014 0.000 1.231 202 N HN 0.175 nan 8.380 nan 0.000 0.503 203 P HA 0.324 nan 4.420 nan 0.000 0.274 203 P C -1.041 176.330 177.300 0.117 0.000 1.231 203 P CA -0.345 62.841 63.100 0.144 0.000 0.790 203 P CB 1.483 33.229 31.700 0.076 0.000 0.951 204 A N 2.982 125.798 122.820 -0.008 0.000 2.401 204 A HA 0.748 5.066 4.320 -0.004 0.000 0.310 204 A C -0.712 176.860 177.584 -0.021 0.000 1.075 204 A CA -0.843 51.113 52.037 -0.135 0.000 0.746 204 A CB 0.973 19.713 19.000 -0.434 0.000 1.277 204 A HN 0.454 nan 8.150 nan 0.000 0.425 205 I N 1.800 122.368 120.570 -0.002 0.000 2.436 205 I HA 0.438 4.606 4.170 -0.004 0.000 0.289 205 I C -0.897 175.248 176.117 0.047 0.000 1.010 205 I CA -0.833 60.463 61.300 -0.006 0.000 1.098 205 I CB 2.091 40.046 38.000 -0.075 0.000 1.266 205 I HN 0.320 nan 8.210 nan 0.000 0.434 206 V N 7.292 127.247 119.914 0.068 0.000 2.417 206 V HA 0.492 4.609 4.120 -0.004 0.000 0.291 206 V C -0.120 176.016 176.094 0.070 0.000 1.024 206 V CA -0.539 61.818 62.300 0.094 0.000 0.861 206 V CB 1.803 33.712 31.823 0.143 0.000 0.985 206 V HN 0.472 nan 8.190 nan 0.000 0.436 207 L N 3.918 125.173 121.223 0.054 0.000 2.346 207 L HA 0.877 5.215 4.340 -0.004 0.000 0.274 207 L C 0.667 177.582 176.870 0.076 0.000 1.007 207 L CA -0.292 54.587 54.840 0.064 0.000 0.818 207 L CB 2.034 44.137 42.059 0.073 0.000 1.284 207 L HN 0.770 nan 8.230 nan 0.000 0.424 208 G N 0.920 109.767 108.800 0.079 0.000 3.016 208 G HA2 0.538 4.495 3.960 -0.004 0.000 0.270 208 G HA3 0.538 4.495 3.960 -0.004 0.000 0.270 208 G C -2.219 172.737 174.900 0.094 0.000 1.352 208 G CA -0.888 44.259 45.100 0.079 0.000 1.060 208 G HN 0.397 nan 8.290 nan 0.000 0.538 209 P HA -0.013 nan 4.420 nan 0.000 0.221 209 P C 0.624 177.986 177.300 0.104 0.000 1.150 209 P CA 0.866 64.032 63.100 0.109 0.000 0.800 209 P CB 0.336 32.098 31.700 0.103 0.000 0.787 210 D N -0.264 120.198 120.400 0.103 0.000 2.310 210 D HA -0.067 4.570 4.640 -0.004 0.000 0.212 210 D C 1.985 178.326 176.300 0.069 0.000 0.965 210 D CA 0.642 54.700 54.000 0.097 0.000 0.879 210 D CB -0.193 40.663 40.800 0.093 0.000 0.921 210 D HN 0.058 nan 8.370 nan 0.000 0.510 211 V N 1.026 120.983 119.914 0.072 0.000 2.270 211 V HA -0.233 3.884 4.120 -0.004 0.000 0.245 211 V C 2.196 178.329 176.094 0.065 0.000 1.043 211 V CA 1.835 64.176 62.300 0.067 0.000 1.014 211 V CB -0.381 31.491 31.823 0.082 0.000 0.645 211 V HN 0.058 nan 8.190 nan 0.000 0.447 212 D N -0.005 120.439 120.400 0.074 0.000 2.117 212 D HA -0.118 4.520 4.640 -0.004 0.000 0.197 212 D C 2.124 178.466 176.300 0.069 0.000 0.987 212 D CA 1.360 55.397 54.000 0.061 0.000 0.829 212 D CB -0.172 40.657 40.800 0.050 0.000 0.961 212 D HN 0.351 nan 8.370 nan 0.000 0.460 213 A N 0.418 123.289 122.820 0.085 0.000 1.917 213 A HA -0.077 4.240 4.320 -0.004 0.000 0.219 213 A C 2.246 179.866 177.584 0.060 0.000 1.182 213 A CA 2.205 54.294 52.037 0.088 0.000 0.633 213 A CB -0.928 18.130 19.000 0.096 0.000 0.819 213 A HN 0.317 nan 8.150 nan 0.000 0.448 214 A N -1.588 121.261 122.820 0.048 0.000 2.238 214 A HA 0.230 4.548 4.320 -0.004 0.000 0.208 214 A C 0.984 178.586 177.584 0.029 0.000 1.177 214 A CA 0.907 52.964 52.037 0.033 0.000 0.804 214 A CB -0.524 18.491 19.000 0.026 0.000 0.823 214 A HN 0.748 nan 8.150 nan 0.000 0.482 215 N N -2.224 116.495 118.700 0.032 0.000 2.721 215 N HA -0.231 4.507 4.740 -0.004 0.000 0.249 215 N C 0.498 176.019 175.510 0.017 0.000 1.072 215 N CA 1.029 54.092 53.050 0.022 0.000 0.710 215 N CB -1.402 37.094 38.487 0.016 0.000 0.993 215 N HN 0.569 nan 8.380 nan 0.000 0.547 216 A N -0.909 121.927 122.820 0.026 0.000 2.307 216 A HA 0.175 4.493 4.320 -0.004 0.000 0.218 216 A C 1.698 179.300 177.584 0.030 0.000 1.228 216 A CA 0.578 52.631 52.037 0.027 0.000 0.857 216 A CB -0.107 18.913 19.000 0.033 0.000 0.897 216 A HN 0.520 nan 8.150 nan 0.000 0.495 217 N N 1.642 120.354 118.700 0.020 0.000 2.036 217 N HA -0.184 4.554 4.740 -0.004 0.000 0.195 217 N C 1.783 177.269 175.510 -0.039 0.000 1.037 217 N CA 1.968 55.021 53.050 0.004 0.000 0.855 217 N CB -0.411 38.057 38.487 -0.033 0.000 1.033 217 N HN 0.459 nan 8.380 nan 0.000 0.423 218 A N 0.544 123.335 122.820 -0.048 0.000 1.969 218 A HA -0.109 4.208 4.320 -0.004 0.000 0.218 218 A C 1.602 179.172 177.584 -0.023 0.000 1.169 218 A CA 1.391 53.392 52.037 -0.060 0.000 0.635 218 A CB -0.305 18.668 19.000 -0.045 0.000 0.810 218 A HN 0.135 nan 8.150 nan 0.000 0.445 219 D N -0.511 119.890 120.400 0.002 0.000 2.144 219 D HA -0.093 4.545 4.640 -0.004 0.000 0.200 219 D C 1.923 178.247 176.300 0.041 0.000 0.978 219 D CA 1.230 55.242 54.000 0.019 0.000 0.833 219 D CB -0.346 40.466 40.800 0.020 0.000 0.961 219 D HN 0.451 nan 8.370 nan 0.000 0.470 220 C N 0.205 119.545 119.300 0.067 0.000 2.450 220 C HA -0.013 4.445 4.460 -0.004 0.000 0.279 220 C C 2.890 178.004 174.990 0.207 0.000 1.335 220 C CA -0.120 58.977 59.018 0.131 0.000 1.749 220 C CB -0.684 27.165 27.740 0.182 0.000 1.963 220 C HN 0.149 nan 8.230 nan 0.000 0.501 221 V N 1.141 121.117 119.914 0.103 0.000 2.255 221 V HA -0.359 3.759 4.120 -0.004 0.000 0.247 221 V C 2.473 178.594 176.094 0.044 0.000 1.051 221 V CA 2.566 64.845 62.300 -0.034 0.000 1.018 221 V CB -0.697 30.960 31.823 -0.276 0.000 0.641 221 V HN 0.615 nan 8.190 nan 0.000 0.445 222 M N -0.633 118.989 119.600 0.036 0.000 2.080 222 M HA -0.227 4.250 4.480 -0.004 0.000 0.260 222 M C 2.097 178.432 176.300 0.058 0.000 1.068 222 M CA 2.166 57.494 55.300 0.048 0.000 1.109 222 M CB -0.264 32.354 32.600 0.031 0.000 1.342 222 M HN 0.355 nan 8.290 nan 0.000 0.405 223 L N 0.691 121.949 121.223 0.058 0.000 2.046 223 L HA -0.084 4.254 4.340 -0.004 0.000 0.208 223 L C 2.446 179.348 176.870 0.054 0.000 1.077 223 L CA 2.282 57.152 54.840 0.051 0.000 0.747 223 L CB -1.017 41.069 42.059 0.045 0.000 0.896 223 L HN 0.364 nan 8.230 nan 0.000 0.432 224 A N -0.976 121.887 122.820 0.071 0.000 1.898 224 A HA -0.203 4.115 4.320 -0.004 0.000 0.216 224 A C 2.178 179.818 177.584 0.094 0.000 1.181 224 A CA 1.717 53.788 52.037 0.056 0.000 0.620 224 A CB -0.592 18.435 19.000 0.044 0.000 0.819 224 A HN 0.603 nan 8.150 nan 0.000 0.442 225 E N -0.615 119.662 120.200 0.127 0.000 2.072 225 E HA -0.145 4.203 4.350 -0.004 0.000 0.191 225 E C 2.372 179.025 176.600 0.087 0.000 0.985 225 E CA 0.774 57.260 56.400 0.143 0.000 0.801 225 E CB -0.130 29.667 29.700 0.162 0.000 0.750 225 E HN 0.436 nan 8.360 nan 0.000 0.452 226 R N 0.399 120.939 120.500 0.067 0.000 2.066 226 R HA -0.058 4.280 4.340 -0.004 0.000 0.232 226 R C 2.236 178.563 176.300 0.044 0.000 1.131 226 R CA 0.901 57.031 56.100 0.049 0.000 0.955 226 R CB -0.304 30.020 30.300 0.040 0.000 0.851 226 R HN 0.232 nan 8.270 nan 0.000 0.432 227 L N 1.274 122.523 121.223 0.044 0.000 2.599 227 L HA 0.042 4.380 4.340 -0.004 0.000 0.230 227 L C 0.143 177.039 176.870 0.044 0.000 1.141 227 L CA 0.106 54.970 54.840 0.040 0.000 0.877 227 L CB -0.068 42.012 42.059 0.034 0.000 1.009 227 L HN 0.054 nan 8.230 nan 0.000 0.447 228 K N -0.143 120.289 120.400 0.052 0.000 3.071 228 K HA -0.191 4.126 4.320 -0.004 0.000 0.262 228 K C 0.087 176.714 176.600 0.045 0.000 0.977 228 K CA 0.862 57.181 56.287 0.055 0.000 0.721 228 K CB -1.875 30.653 32.500 0.047 0.000 1.293 228 K HN 0.359 nan 8.250 nan 0.000 0.475 229 A N 1.133 123.970 122.820 0.028 0.000 2.324 229 A HA 0.653 4.970 4.320 -0.004 0.000 0.330 229 A C -2.116 175.417 177.584 -0.085 0.000 1.165 229 A CA -1.498 50.537 52.037 -0.003 0.000 0.813 229 A CB 0.942 19.937 19.000 -0.009 0.000 1.197 229 A HN -0.034 nan 8.150 nan 0.000 0.484 230 P HA 0.296 nan 4.420 nan 0.000 0.271 230 P C -0.781 176.206 177.300 -0.522 0.000 1.218 230 P CA 0.021 62.886 63.100 -0.392 0.000 0.780 230 P CB 0.981 32.391 31.700 -0.483 0.000 0.901 231 V N 3.594 123.063 119.914 -0.742 0.000 2.483 231 V HA 0.361 4.478 4.120 -0.004 0.000 0.297 231 V C -0.128 175.460 176.094 -0.843 0.000 1.027 231 V CA -0.481 61.411 62.300 -0.681 0.000 0.855 231 V CB 1.725 32.964 31.823 -0.973 0.000 0.995 231 V HN 0.611 nan 8.190 nan 0.000 0.424 232 W N 2.678 123.733 121.300 -0.408 0.000 2.655 232 W HA 0.703 5.360 4.660 -0.004 0.000 0.358 232 W C -0.743 175.609 176.519 -0.278 0.000 1.100 232 W CA -0.719 56.367 57.345 -0.433 0.000 1.195 232 W CB 2.157 31.386 29.460 -0.385 0.000 1.403 232 W HN 0.252 nan 8.180 nan 0.000 0.589 233 V N 2.147 122.034 119.914 -0.045 0.000 2.394 233 V HA 0.375 4.493 4.120 -0.004 0.000 0.282 233 V C 0.621 176.630 176.094 -0.142 0.000 1.031 233 V CA -0.933 61.323 62.300 -0.074 0.000 0.881 233 V CB 0.559 32.255 31.823 -0.211 0.000 0.982 233 V HN 0.588 nan 8.190 nan 0.000 0.451 234 A N 8.495 131.277 122.820 -0.062 0.000 2.507 234 A HA 0.403 4.720 4.320 -0.004 0.000 0.235 234 A C -1.894 175.612 177.584 -0.131 0.000 1.070 234 A CA -0.626 51.373 52.037 -0.063 0.000 0.768 234 A CB -0.404 18.651 19.000 0.092 0.000 1.011 234 A HN 0.683 nan 8.150 nan 0.000 0.502 235 P HA 0.094 nan 4.420 nan 0.000 0.270 235 P C -0.041 177.225 177.300 -0.056 0.000 1.223 235 P CA 0.479 63.499 63.100 -0.134 0.000 0.785 235 P CB 0.408 32.055 31.700 -0.089 0.000 0.923 236 S N -1.934 113.734 115.700 -0.053 0.000 3.682 236 S HA -0.166 4.301 4.470 -0.004 0.000 0.354 236 S C 0.576 175.231 174.600 0.091 0.000 1.034 236 S CA 0.698 58.916 58.200 0.030 0.000 1.084 236 S CB -2.192 61.074 63.200 0.109 0.000 0.903 236 S HN 0.924 nan 8.310 nan 0.000 0.470 237 A N 0.928 123.755 122.820 0.012 0.000 2.484 237 A HA 0.460 4.777 4.320 -0.004 0.000 0.268 237 A C -0.556 177.283 177.584 0.425 0.000 1.114 237 A CA -0.986 51.143 52.037 0.154 0.000 0.780 237 A CB 0.120 19.153 19.000 0.054 0.000 1.061 237 A HN 0.285 nan 8.150 nan 0.000 0.505 238 P HA -0.004 nan 4.420 nan 0.000 0.229 238 P C 0.246 177.764 177.300 0.363 0.000 1.160 238 P CA 1.032 64.347 63.100 0.358 0.000 0.777 238 P CB 0.284 32.066 31.700 0.136 0.000 0.814 239 R N -2.788 117.941 120.500 0.381 0.000 2.795 239 R HA 0.564 4.901 4.340 -0.004 0.000 0.268 239 R C -1.434 175.098 176.300 0.385 0.000 1.041 239 R CA -0.823 55.443 56.100 0.277 0.000 0.927 239 R CB 1.039 31.392 30.300 0.089 0.000 1.235 239 R HN -0.159 nan 8.270 nan 0.000 0.463 240 C N 2.726 122.163 119.300 0.228 0.000 2.293 240 C HA 0.530 4.987 4.460 -0.004 0.000 0.323 240 C C -1.866 173.206 174.990 0.136 0.000 1.240 240 C CA -1.931 57.235 59.018 0.247 0.000 1.497 240 C CB 0.836 28.615 27.740 0.065 0.000 2.171 240 C HN 0.610 nan 8.230 nan 0.000 0.465 241 P HA 0.233 nan 4.420 nan 0.000 0.266 241 P C -0.349 177.074 177.300 0.204 0.000 1.381 241 P CA 0.218 63.409 63.100 0.152 0.000 0.940 241 P CB -0.026 31.771 31.700 0.161 0.000 1.435 242 F N 1.435 121.343 119.950 -0.069 0.000 2.654 242 F HA 0.407 4.932 4.527 -0.004 0.000 0.314 242 F C -2.665 172.935 175.800 -0.333 0.000 1.116 242 F CA -2.249 55.652 58.000 -0.164 0.000 1.017 242 F CB 1.858 40.799 39.000 -0.098 0.000 1.285 242 F HN -0.337 nan 8.300 nan 0.000 0.448 243 P HA 0.045 nan 4.420 nan 0.000 0.261 243 P C 0.568 177.619 177.300 -0.414 0.000 1.203 243 P CA 0.338 63.184 63.100 -0.423 0.000 0.767 243 P CB 0.543 32.017 31.700 -0.377 0.000 0.785 244 T N 0.638 114.920 114.554 -0.454 0.000 3.118 244 T HA 0.004 4.351 4.350 -0.004 0.000 0.260 244 T C 1.117 175.785 174.700 -0.053 0.000 1.139 244 T CA 0.540 62.284 62.100 -0.594 0.000 1.085 244 T CB -0.217 68.469 68.868 -0.304 0.000 0.934 244 T HN 0.179 nan 8.240 nan 0.000 0.518 245 R N 0.412 120.903 120.500 -0.015 0.000 2.472 245 R HA 0.215 4.553 4.340 -0.004 0.000 0.279 245 R C 0.313 176.671 176.300 0.097 0.000 0.953 245 R CA -0.348 55.793 56.100 0.069 0.000 1.088 245 R CB -0.468 29.842 30.300 0.017 0.000 1.197 245 R HN 0.583 nan 8.270 nan 0.000 0.536 246 H N 3.372 122.462 119.070 0.032 0.000 2.928 246 H HA 0.027 4.581 4.556 -0.004 0.000 0.338 246 H C -1.365 174.062 175.328 0.165 0.000 1.047 246 H CA -1.000 55.092 56.048 0.073 0.000 1.435 246 H CB 1.511 31.299 29.762 0.043 0.000 1.428 246 H HN -0.139 nan 8.280 nan 0.000 0.590 247 P HA -0.144 nan 4.420 nan 0.000 0.218 247 P C 1.347 178.761 177.300 0.190 0.000 1.146 247 P CA 1.074 64.195 63.100 0.034 0.000 0.813 247 P CB -0.058 31.580 31.700 -0.102 0.000 0.778 248 C N -2.535 117.061 119.300 0.494 0.000 2.495 248 C HA 0.150 4.608 4.460 -0.004 0.000 0.275 248 C C 1.320 176.321 174.990 0.020 0.000 1.392 248 C CA -0.580 58.578 59.018 0.234 0.000 1.766 248 C CB -1.837 26.049 27.740 0.242 0.000 1.933 248 C HN 0.092 nan 8.230 nan 0.000 0.519 249 F N 2.210 122.186 119.950 0.044 0.000 2.543 249 F HA 0.212 4.737 4.527 -0.004 0.000 0.375 249 F C 1.259 176.883 175.800 -0.293 0.000 1.075 249 F CA 0.195 58.108 58.000 -0.145 0.000 1.225 249 F CB 0.420 39.506 39.000 0.143 0.000 1.099 249 F HN -0.013 nan 8.300 nan 0.000 0.561 250 R N 3.760 123.516 120.500 -1.241 0.000 2.508 250 R HA 0.329 4.667 4.340 -0.004 0.000 0.300 250 R C 0.619 176.264 176.300 -1.093 0.000 0.970 250 R CA 0.362 55.777 56.100 -1.142 0.000 1.102 250 R CB -0.019 29.308 30.300 -1.622 0.000 1.246 250 R HN 0.969 nan 8.270 nan 0.000 0.539 251 G N 1.174 108.956 108.800 -1.697 0.000 2.582 251 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.222 251 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.222 251 G C -1.176 173.364 174.900 -0.600 0.000 1.311 251 G CA -0.565 43.965 45.100 -0.950 0.000 0.915 251 G HN 0.161 nan 8.290 nan 0.000 0.528 252 L N 0.665 121.610 121.223 -0.464 0.000 2.305 252 L HA 0.742 5.080 4.340 -0.004 0.000 0.281 252 L C 1.032 177.701 176.870 -0.334 0.000 1.085 252 L CA -0.366 54.105 54.840 -0.614 0.000 0.813 252 L CB 0.828 42.216 42.059 -1.118 0.000 1.157 252 L HN 0.613 nan 8.230 nan 0.000 0.436 253 M N 7.151 126.571 119.600 -0.300 0.000 2.188 253 M HA 0.264 4.742 4.480 -0.004 0.000 0.354 253 M C -1.969 174.180 176.300 -0.253 0.000 1.342 253 M CA -1.537 53.585 55.300 -0.297 0.000 1.117 253 M CB 0.364 32.718 32.600 -0.409 0.000 1.670 253 M HN 0.453 nan 8.290 nan 0.000 0.466 254 P HA -0.023 nan 4.420 nan 0.000 0.266 254 P C -0.529 176.734 177.300 -0.062 0.000 1.193 254 P CA 0.057 63.082 63.100 -0.126 0.000 0.770 254 P CB 0.468 32.109 31.700 -0.098 0.000 0.836 255 A N 2.619 125.456 122.820 0.028 0.000 3.033 255 A HA 0.485 4.803 4.320 -0.004 0.000 0.250 255 A C 0.783 178.531 177.584 0.274 0.000 1.633 255 A CA 0.250 52.390 52.037 0.172 0.000 1.290 255 A CB -1.241 17.908 19.000 0.249 0.000 1.048 255 A HN 0.580 nan 8.150 nan 0.000 0.648 256 G N -0.884 108.024 108.800 0.179 0.000 2.571 256 G HA2 0.494 4.452 3.960 -0.004 0.000 0.304 256 G HA3 0.494 4.452 3.960 -0.004 0.000 0.304 256 G C 0.576 175.417 174.900 -0.098 0.000 1.314 256 G CA -0.655 44.472 45.100 0.045 0.000 0.975 256 G HN 0.148 nan 8.290 nan 0.000 0.485 257 I N 1.534 121.827 120.570 -0.461 0.000 2.113 257 I HA -0.214 3.953 4.170 -0.004 0.000 0.238 257 I C 3.095 179.060 176.117 -0.254 0.000 1.070 257 I CA 1.916 62.876 61.300 -0.567 0.000 1.332 257 I CB -0.119 37.462 38.000 -0.698 0.000 1.044 257 I HN 0.546 nan 8.210 nan 0.000 0.402 258 A N 0.594 123.259 122.820 -0.259 0.000 1.902 258 A HA -0.168 4.149 4.320 -0.004 0.000 0.217 258 A C 2.529 180.022 177.584 -0.152 0.000 1.181 258 A CA 1.880 53.800 52.037 -0.195 0.000 0.623 258 A CB -0.981 17.900 19.000 -0.199 0.000 0.818 258 A HN 0.456 nan 8.150 nan 0.000 0.443 259 A N -0.192 122.542 122.820 -0.142 0.000 1.908 259 A HA -0.130 4.188 4.320 -0.004 0.000 0.218 259 A C 2.121 179.594 177.584 -0.185 0.000 1.181 259 A CA 1.711 53.666 52.037 -0.136 0.000 0.627 259 A CB -0.562 18.372 19.000 -0.109 0.000 0.818 259 A HN 0.516 nan 8.150 nan 0.000 0.445 260 I N 0.280 120.738 120.570 -0.187 0.000 2.406 260 I HA -0.183 3.985 4.170 -0.004 0.000 0.249 260 I C 2.823 178.785 176.117 -0.258 0.000 1.122 260 I CA 1.274 62.394 61.300 -0.299 0.000 1.431 260 I CB -0.151 37.655 38.000 -0.324 0.000 1.087 260 I HN 0.499 nan 8.210 nan 0.000 0.424 261 S N 0.357 115.976 115.700 -0.135 0.000 2.383 261 S HA -0.289 4.179 4.470 -0.004 0.000 0.227 261 S C 1.969 176.500 174.600 -0.116 0.000 1.026 261 S CA 1.259 59.407 58.200 -0.088 0.000 0.981 261 S CB -0.579 62.594 63.200 -0.044 0.000 0.818 261 S HN 0.528 nan 8.310 nan 0.000 0.472 262 Q N 0.394 120.115 119.800 -0.131 0.000 2.050 262 Q HA -0.099 4.238 4.340 -0.004 0.000 0.202 262 Q C 2.001 177.918 176.000 -0.139 0.000 0.980 262 Q CA 1.347 57.081 55.803 -0.116 0.000 0.840 262 Q CB -0.291 28.383 28.738 -0.107 0.000 0.898 262 Q HN 0.433 nan 8.270 nan 0.000 0.424 263 L N 0.549 121.631 121.223 -0.234 0.000 2.079 263 L HA -0.143 4.194 4.340 -0.004 0.000 0.210 263 L C 2.098 178.744 176.870 -0.374 0.000 1.081 263 L CA 1.544 56.175 54.840 -0.348 0.000 0.752 263 L CB -0.697 40.971 42.059 -0.651 0.000 0.896 263 L HN 0.368 nan 8.230 nan 0.000 0.433 264 L N -0.657 120.373 121.223 -0.322 0.000 2.558 264 L HA 0.015 4.352 4.340 -0.004 0.000 0.225 264 L C 1.095 178.013 176.870 0.080 0.000 1.128 264 L CA -0.228 54.510 54.840 -0.170 0.000 0.868 264 L CB -0.246 41.697 42.059 -0.194 0.000 1.006 264 L HN 0.357 nan 8.230 nan 0.000 0.454 265 E N 0.318 120.523 120.200 0.008 0.000 2.413 265 E HA 0.185 4.532 4.350 -0.004 0.000 0.263 265 E C 1.018 177.590 176.600 -0.047 0.000 1.015 265 E CA 0.494 56.891 56.400 -0.005 0.000 0.916 265 E CB 0.621 30.301 29.700 -0.034 0.000 0.947 265 E HN 0.199 nan 8.360 nan 0.000 0.440 266 G N 2.706 111.456 108.800 -0.083 0.000 2.217 266 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.246 266 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.246 266 G C -0.119 174.619 174.900 -0.270 0.000 0.990 266 G CA 0.223 45.212 45.100 -0.186 0.000 0.627 266 G HN 0.762 nan 8.290 nan 0.000 0.522 267 H N 1.462 120.541 119.070 0.015 0.000 2.552 267 H HA 0.296 4.850 4.556 -0.004 0.000 0.311 267 H C 1.046 176.386 175.328 0.020 0.000 1.071 267 H CA 0.231 56.297 56.048 0.029 0.000 1.307 267 H CB 1.580 31.369 29.762 0.045 0.000 1.416 267 H HN 0.436 nan 8.280 nan 0.000 0.464 268 D N 2.203 122.670 120.400 0.112 0.000 2.162 268 D HA -0.058 4.579 4.640 -0.004 0.000 0.203 268 D C 0.526 176.870 176.300 0.073 0.000 0.967 268 D CA 0.458 54.499 54.000 0.068 0.000 0.840 268 D CB 0.359 41.185 40.800 0.043 0.000 0.972 268 D HN 0.117 nan 8.370 nan 0.000 0.482 269 V N 1.170 121.138 119.914 0.089 0.000 2.531 269 V HA 0.352 4.469 4.120 -0.004 0.000 0.301 269 V C -0.433 175.705 176.094 0.073 0.000 1.034 269 V CA -1.025 61.316 62.300 0.068 0.000 0.865 269 V CB 2.475 34.328 31.823 0.050 0.000 0.995 269 V HN -0.080 nan 8.190 nan 0.000 0.424 270 V N 5.898 125.846 119.914 0.057 0.000 2.334 270 V HA 0.398 4.515 4.120 -0.004 0.000 0.281 270 V C -0.323 175.793 176.094 0.037 0.000 1.016 270 V CA -0.534 61.792 62.300 0.043 0.000 0.832 270 V CB 1.550 33.403 31.823 0.050 0.000 0.999 270 V HN 0.666 nan 8.190 nan 0.000 0.439 271 L N 7.606 128.847 121.223 0.029 0.000 2.261 271 L HA 0.499 4.837 4.340 -0.004 0.000 0.289 271 L C -0.189 176.700 176.870 0.032 0.000 1.059 271 L CA 0.358 55.212 54.840 0.022 0.000 0.816 271 L CB 1.189 43.258 42.059 0.017 0.000 1.191 271 L HN 0.455 nan 8.230 nan 0.000 0.431 272 V N 7.066 126.995 119.914 0.025 0.000 2.394 272 V HA 0.448 4.565 4.120 -0.004 0.000 0.282 272 V C 0.213 176.314 176.094 0.011 0.000 1.031 272 V CA -0.398 61.923 62.300 0.036 0.000 0.881 272 V CB 1.214 33.038 31.823 0.003 0.000 0.982 272 V HN 0.560 nan 8.190 nan 0.000 0.451 273 I N 3.776 124.363 120.570 0.027 0.000 2.439 273 I HA 0.592 4.760 4.170 -0.004 0.000 0.285 273 I C 0.950 177.085 176.117 0.030 0.000 1.021 273 I CA -0.459 60.853 61.300 0.020 0.000 1.091 273 I CB 1.662 39.678 38.000 0.027 0.000 1.242 273 I HN 0.838 nan 8.210 nan 0.000 0.439 274 G N 4.511 113.322 108.800 0.018 0.000 2.198 274 G HA2 -0.041 3.917 3.960 -0.004 0.000 0.257 274 G HA3 -0.041 3.917 3.960 -0.004 0.000 0.257 274 G C -0.077 174.851 174.900 0.046 0.000 1.042 274 G CA 0.197 45.316 45.100 0.032 0.000 0.791 274 G HN 1.025 nan 8.290 nan 0.000 0.502 275 A N -0.669 122.165 122.820 0.024 0.000 2.498 275 A HA 0.958 5.275 4.320 -0.004 0.000 0.298 275 A C -2.597 174.963 177.584 -0.040 0.000 1.075 275 A CA -1.393 50.656 52.037 0.021 0.000 0.714 275 A CB 1.840 20.878 19.000 0.063 0.000 1.299 275 A HN 0.105 nan 8.150 nan 0.000 0.407 276 P HA 0.330 nan 4.420 nan 0.000 0.272 276 P C -0.705 176.422 177.300 -0.288 0.000 1.240 276 P CA -0.168 62.855 63.100 -0.128 0.000 0.791 276 P CB 0.627 32.272 31.700 -0.091 0.000 0.978 277 V N 2.697 122.336 119.914 -0.458 0.000 2.266 277 V HA 0.361 4.479 4.120 -0.004 0.000 0.271 277 V C -0.555 175.163 176.094 -0.628 0.000 1.032 277 V CA 0.022 61.736 62.300 -0.976 0.000 0.806 277 V CB -0.891 30.404 31.823 -0.879 0.000 1.052 277 V HN 0.382 nan 8.190 nan 0.000 0.449 278 F N 2.014 121.661 119.950 -0.506 0.000 2.631 278 F HA 0.632 5.156 4.527 -0.004 0.000 0.328 278 F C 0.583 175.980 175.800 -0.671 0.000 1.067 278 F CA -1.326 56.297 58.000 -0.629 0.000 0.969 278 F CB 1.656 40.187 39.000 -0.783 0.000 1.332 278 F HN 0.147 nan 8.300 nan 0.000 0.490 279 R N 1.506 121.916 120.500 -0.150 0.000 3.710 279 R HA 0.225 4.562 4.340 -0.004 0.000 0.201 279 R C -1.368 174.935 176.300 0.005 0.000 1.641 279 R CA -0.161 55.898 56.100 -0.068 0.000 1.390 279 R CB -1.329 28.973 30.300 0.003 0.000 1.341 279 R HN 0.320 nan 8.270 nan 0.000 0.728 280 Y N 0.139 120.564 120.300 0.209 0.000 2.511 280 Y HA 0.027 4.575 4.550 -0.004 0.000 0.347 280 Y C 1.736 177.807 175.900 0.285 0.000 1.257 280 Y CA 0.526 58.760 58.100 0.223 0.000 1.469 280 Y CB 0.390 38.994 38.460 0.241 0.000 1.353 280 Y HN 0.486 nan 8.280 nan 0.000 0.617 281 H N -0.749 118.543 119.070 0.370 0.000 2.809 281 H HA 0.111 4.665 4.556 -0.004 0.000 0.150 281 H C 0.120 175.693 175.328 0.407 0.000 1.073 281 H CA -0.106 56.144 56.048 0.337 0.000 1.099 281 H CB 0.535 30.496 29.762 0.331 0.000 1.078 281 H HN 0.654 nan 8.280 nan 0.000 0.337 282 Q N 1.387 121.424 119.800 0.395 0.000 2.432 282 Q HA -0.088 4.250 4.340 -0.004 0.000 0.264 282 Q C -1.030 175.167 176.000 0.327 0.000 1.035 282 Q CA -0.066 55.965 55.803 0.380 0.000 0.908 282 Q CB 0.564 29.455 28.738 0.255 0.000 1.280 282 Q HN 0.448 nan 8.270 nan 0.000 0.455 283 Y N 1.830 122.214 120.300 0.139 0.000 2.452 283 Y HA 0.196 4.743 4.550 -0.004 0.000 0.348 283 Y C -0.938 174.955 175.900 -0.012 0.000 0.985 283 Y CA -0.950 57.179 58.100 0.048 0.000 1.214 283 Y CB 0.631 39.117 38.460 0.043 0.000 1.136 283 Y HN 0.733 nan 8.280 nan 0.000 0.523 284 D N 9.011 129.213 120.400 -0.330 0.000 2.513 284 D HA 0.285 4.923 4.640 -0.004 0.000 0.295 284 D C -2.970 173.023 176.300 -0.512 0.000 1.202 284 D CA -2.119 51.667 54.000 -0.358 0.000 0.849 284 D CB 0.862 41.554 40.800 -0.180 0.000 1.116 284 D HN 0.234 nan 8.370 nan 0.000 0.502 285 P HA 0.471 nan 4.420 nan 0.000 0.272 285 P C 0.539 177.593 177.300 -0.410 0.000 1.230 285 P CA 0.219 62.919 63.100 -0.667 0.000 0.788 285 P CB 1.505 32.762 31.700 -0.739 0.000 0.949 286 G N 0.544 109.122 108.800 -0.370 0.000 2.439 286 G HA2 0.022 3.980 3.960 -0.004 0.000 0.186 286 G HA3 0.022 3.980 3.960 -0.004 0.000 0.186 286 G C -1.571 173.129 174.900 -0.333 0.000 1.260 286 G CA -0.645 44.282 45.100 -0.288 0.000 1.020 286 G HN 0.492 nan 8.290 nan 0.000 0.470 287 Q N -0.116 119.537 119.800 -0.245 0.000 2.261 287 Q HA 0.504 4.841 4.340 -0.004 0.000 0.252 287 Q C 0.319 176.212 176.000 -0.179 0.000 0.915 287 Q CA -0.677 55.010 55.803 -0.193 0.000 0.915 287 Q CB 1.476 30.165 28.738 -0.082 0.000 1.204 287 Q HN 0.513 nan 8.270 nan 0.000 0.421 288 Y N 1.120 121.428 120.300 0.014 0.000 2.133 288 Y HA -0.062 4.486 4.550 -0.004 0.000 0.287 288 Y C 0.708 176.665 175.900 0.095 0.000 1.134 288 Y CA 0.978 59.130 58.100 0.086 0.000 1.133 288 Y CB 0.319 38.849 38.460 0.116 0.000 0.987 288 Y HN 0.411 nan 8.280 nan 0.000 0.502 289 L N -0.299 121.057 121.223 0.221 0.000 2.409 289 L HA 0.360 4.698 4.340 -0.004 0.000 0.262 289 L C -0.599 176.310 176.870 0.066 0.000 0.992 289 L CA -1.146 53.770 54.840 0.126 0.000 0.817 289 L CB 2.574 44.708 42.059 0.125 0.000 1.350 289 L HN -0.169 nan 8.230 nan 0.000 0.411 290 K N 1.991 122.410 120.400 0.033 0.000 2.154 290 K HA 0.338 4.656 4.320 -0.004 0.000 0.264 290 K C -2.355 174.258 176.600 0.021 0.000 1.008 290 K CA -1.347 54.948 56.287 0.013 0.000 0.937 290 K CB 0.471 32.967 32.500 -0.006 0.000 1.002 290 K HN 0.230 nan 8.250 nan 0.000 0.469 291 P HA -0.016 nan 4.420 nan 0.000 0.267 291 P C 0.087 177.395 177.300 0.014 0.000 1.200 291 P CA 0.561 63.670 63.100 0.015 0.000 0.772 291 P CB 0.482 32.187 31.700 0.007 0.000 0.855 292 G N 0.875 109.685 108.800 0.017 0.000 2.176 292 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.252 292 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.252 292 G C -0.071 174.843 174.900 0.024 0.000 1.024 292 G CA 0.019 45.129 45.100 0.016 0.000 0.755 292 G HN 0.630 nan 8.290 nan 0.000 0.507 293 T N 0.613 115.186 114.554 0.032 0.000 2.809 293 T HA 0.548 4.895 4.350 -0.004 0.000 0.284 293 T C 0.079 174.804 174.700 0.042 0.000 0.992 293 T CA -0.681 61.446 62.100 0.045 0.000 0.957 293 T CB 1.716 70.617 68.868 0.055 0.000 0.942 293 T HN 0.281 nan 8.240 nan 0.000 0.439 294 R N 3.009 123.533 120.500 0.040 0.000 2.221 294 R HA 0.434 4.771 4.340 -0.004 0.000 0.327 294 R C -0.909 175.411 176.300 0.033 0.000 1.033 294 R CA -0.611 55.508 56.100 0.030 0.000 0.887 294 R CB 0.927 31.242 30.300 0.025 0.000 1.057 294 R HN 0.561 nan 8.270 nan 0.000 0.455 295 L N 5.871 127.108 121.223 0.023 0.000 2.296 295 L HA 0.536 4.874 4.340 -0.004 0.000 0.286 295 L C -0.879 175.986 176.870 -0.008 0.000 1.023 295 L CA -0.429 54.420 54.840 0.016 0.000 0.812 295 L CB 1.064 43.132 42.059 0.015 0.000 1.223 295 L HN 0.544 nan 8.230 nan 0.000 0.421 296 I N 4.070 124.635 120.570 -0.008 0.000 2.436 296 I HA 0.346 4.513 4.170 -0.004 0.000 0.289 296 I C -0.383 175.715 176.117 -0.031 0.000 1.010 296 I CA -0.361 60.928 61.300 -0.019 0.000 1.098 296 I CB 1.970 39.966 38.000 -0.007 0.000 1.266 296 I HN 0.520 nan 8.210 nan 0.000 0.434 297 S N 5.717 121.385 115.700 -0.053 0.000 2.449 297 S HA 0.617 5.085 4.470 -0.004 0.000 0.310 297 S C -0.718 173.852 174.600 -0.050 0.000 1.096 297 S CA -0.508 57.651 58.200 -0.068 0.000 1.095 297 S CB 1.223 64.351 63.200 -0.120 0.000 1.007 297 S HN 0.328 nan 8.310 nan 0.000 0.474 298 V N 4.772 124.665 119.914 -0.036 0.000 2.350 298 V HA 0.617 4.735 4.120 -0.004 0.000 0.276 298 V C 0.442 176.516 176.094 -0.034 0.000 1.028 298 V CA -0.423 61.859 62.300 -0.030 0.000 0.860 298 V CB 1.066 32.880 31.823 -0.015 0.000 0.990 298 V HN 0.926 nan 8.190 nan 0.000 0.453 299 T N 3.327 117.855 114.554 -0.043 0.000 2.909 299 T HA 0.246 4.593 4.350 -0.004 0.000 0.299 299 T C 0.774 175.435 174.700 -0.065 0.000 1.073 299 T CA -0.156 61.916 62.100 -0.048 0.000 0.999 299 T CB 1.295 70.130 68.868 -0.054 0.000 1.098 299 T HN 0.863 nan 8.240 nan 0.000 0.477 300 C N 1.722 120.968 119.300 -0.091 0.000 2.626 300 C HA 0.445 4.903 4.460 -0.004 0.000 0.266 300 C C 0.489 175.374 174.990 -0.176 0.000 1.317 300 C CA -0.412 58.525 59.018 -0.136 0.000 1.716 300 C CB -1.333 26.301 27.740 -0.176 0.000 1.819 300 C HN 0.743 nan 8.230 nan 0.000 0.578 301 D N 0.967 121.279 120.400 -0.147 0.000 2.505 301 D HA 0.360 4.997 4.640 -0.004 0.000 0.250 301 D C -1.913 174.345 176.300 -0.069 0.000 1.164 301 D CA -1.938 51.980 54.000 -0.137 0.000 0.870 301 D CB 1.960 42.690 40.800 -0.115 0.000 1.160 301 D HN -0.097 nan 8.370 nan 0.000 0.549 302 P HA -0.099 nan 4.420 nan 0.000 0.216 302 P C 1.758 179.050 177.300 -0.015 0.000 1.150 302 P CA 0.837 63.918 63.100 -0.032 0.000 0.843 302 P CB 0.388 32.076 31.700 -0.021 0.000 0.787 303 L N -0.591 120.634 121.223 0.004 0.000 2.042 303 L HA -0.203 4.135 4.340 -0.004 0.000 0.210 303 L C 2.406 179.281 176.870 0.009 0.000 1.076 303 L CA 1.642 56.501 54.840 0.031 0.000 0.749 303 L CB -0.885 41.224 42.059 0.084 0.000 0.893 303 L HN 0.056 nan 8.230 nan 0.000 0.432 304 E N 0.085 120.280 120.200 -0.009 0.000 2.047 304 E HA -0.193 4.154 4.350 -0.004 0.000 0.191 304 E C 2.348 178.909 176.600 -0.065 0.000 0.987 304 E CA 1.074 57.452 56.400 -0.037 0.000 0.799 304 E CB -0.206 29.473 29.700 -0.035 0.000 0.752 304 E HN 0.487 nan 8.360 nan 0.000 0.449 305 A N 1.532 124.317 122.820 -0.058 0.000 1.940 305 A HA -0.173 4.144 4.320 -0.004 0.000 0.219 305 A C 2.357 179.905 177.584 -0.060 0.000 1.176 305 A CA 1.867 53.865 52.037 -0.066 0.000 0.631 305 A CB -0.582 18.386 19.000 -0.053 0.000 0.814 305 A HN 0.299 nan 8.150 nan 0.000 0.446 306 A N 0.352 123.148 122.820 -0.040 0.000 1.930 306 A HA -0.075 4.243 4.320 -0.004 0.000 0.215 306 A C 2.165 179.726 177.584 -0.039 0.000 1.176 306 A CA 1.383 53.401 52.037 -0.031 0.000 0.632 306 A CB -0.356 18.637 19.000 -0.011 0.000 0.819 306 A HN 0.701 nan 8.150 nan 0.000 0.445 307 R N -0.594 119.881 120.500 -0.042 0.000 2.300 307 R HA 0.458 4.795 4.340 -0.004 0.000 0.199 307 R C 0.751 176.997 176.300 -0.090 0.000 0.920 307 R CA 0.549 56.623 56.100 -0.045 0.000 1.046 307 R CB -0.471 29.820 30.300 -0.015 0.000 0.984 307 R HN 0.242 nan 8.270 nan 0.000 0.493 308 A N 3.480 126.224 122.820 -0.125 0.000 2.561 308 A HA 0.112 4.430 4.320 -0.004 0.000 0.251 308 A C -1.496 175.971 177.584 -0.195 0.000 1.062 308 A CA -1.015 50.907 52.037 -0.191 0.000 0.761 308 A CB 0.130 19.007 19.000 -0.205 0.000 0.986 308 A HN 0.300 nan 8.150 nan 0.000 0.510 309 P HA 0.056 nan 4.420 nan 0.000 0.245 309 P C -0.159 176.979 177.300 -0.270 0.000 1.212 309 P CA 0.746 63.632 63.100 -0.357 0.000 0.774 309 P CB -0.056 31.159 31.700 -0.809 0.000 0.999 310 M N -2.670 116.805 119.600 -0.208 0.000 2.603 310 M HA 0.640 5.117 4.480 -0.004 0.000 0.275 310 M C -0.425 175.817 176.300 -0.095 0.000 1.226 310 M CA -0.327 54.909 55.300 -0.106 0.000 0.870 310 M CB 1.134 33.711 32.600 -0.039 0.000 1.716 310 M HN 0.049 nan 8.290 nan 0.000 0.482 311 G N 1.716 110.484 108.800 -0.053 0.000 2.756 311 G HA2 -0.007 3.950 3.960 -0.004 0.000 0.678 311 G HA3 -0.007 3.950 3.960 -0.004 0.000 0.678 311 G C -1.614 173.256 174.900 -0.051 0.000 1.349 311 G CA -0.341 44.731 45.100 -0.048 0.000 0.847 311 G HN 0.996 nan 8.290 nan 0.000 0.548 312 D N 0.119 120.495 120.400 -0.040 0.000 2.294 312 D HA 0.735 5.373 4.640 -0.004 0.000 0.250 312 D C 0.647 176.917 176.300 -0.050 0.000 1.058 312 D CA 0.918 54.895 54.000 -0.038 0.000 0.950 312 D CB 1.629 42.415 40.800 -0.024 0.000 1.158 312 D HN 1.204 nan 8.370 nan 0.000 0.453 313 A N 0.954 123.745 122.820 -0.047 0.000 2.414 313 A HA 0.715 5.033 4.320 -0.004 0.000 0.306 313 A C -0.932 176.628 177.584 -0.040 0.000 1.054 313 A CA -0.623 51.382 52.037 -0.053 0.000 0.724 313 A CB 0.957 19.919 19.000 -0.063 0.000 1.267 313 A HN 0.480 nan 8.150 nan 0.000 0.418 314 I N 1.767 122.314 120.570 -0.039 0.000 2.436 314 I HA 0.367 4.535 4.170 -0.004 0.000 0.289 314 I C -0.762 175.332 176.117 -0.037 0.000 1.010 314 I CA -0.865 60.416 61.300 -0.032 0.000 1.098 314 I CB 2.169 40.154 38.000 -0.025 0.000 1.266 314 I HN 0.317 nan 8.210 nan 0.000 0.434 315 V N 6.064 125.956 119.914 -0.037 0.000 2.348 315 V HA 0.838 4.955 4.120 -0.004 0.000 0.270 315 V C 0.265 176.334 176.094 -0.041 0.000 1.037 315 V CA -0.082 62.191 62.300 -0.044 0.000 0.872 315 V CB 0.619 32.415 31.823 -0.045 0.000 1.002 315 V HN 0.887 nan 8.190 nan 0.000 0.464 316 A N 3.691 126.484 122.820 -0.045 0.000 2.566 316 A HA 0.586 4.904 4.320 -0.004 0.000 0.290 316 A C -1.144 176.414 177.584 -0.043 0.000 1.071 316 A CA -0.786 51.228 52.037 -0.039 0.000 0.658 316 A CB 1.061 20.044 19.000 -0.027 0.000 1.285 316 A HN 0.696 nan 8.150 nan 0.000 0.427 317 D N 0.313 120.691 120.400 -0.036 0.000 2.425 317 D HA 0.277 4.915 4.640 -0.004 0.000 0.247 317 D C 1.112 177.399 176.300 -0.021 0.000 1.147 317 D CA -0.215 53.766 54.000 -0.033 0.000 0.879 317 D CB 0.379 41.165 40.800 -0.023 0.000 1.179 317 D HN 0.278 nan 8.370 nan 0.000 0.456 318 I N 3.597 124.156 120.570 -0.018 0.000 2.353 318 I HA -0.025 4.143 4.170 -0.004 0.000 0.248 318 I C 2.290 178.411 176.117 0.006 0.000 1.119 318 I CA 1.000 62.298 61.300 -0.004 0.000 1.417 318 I CB -1.597 36.407 38.000 0.005 0.000 1.078 318 I HN 0.656 nan 8.210 nan 0.000 0.421 319 G N 0.810 109.613 108.800 0.005 0.000 2.421 319 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.216 319 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.216 319 G C 1.859 176.764 174.900 0.008 0.000 1.171 319 G CA 1.019 46.125 45.100 0.010 0.000 0.775 319 G HN 0.471 nan 8.290 nan 0.000 0.543 320 A N 0.271 123.093 122.820 0.004 0.000 1.902 320 A HA 0.071 4.389 4.320 -0.004 0.000 0.217 320 A C 2.437 180.022 177.584 0.003 0.000 1.181 320 A CA 1.862 53.901 52.037 0.003 0.000 0.623 320 A CB -0.299 18.701 19.000 0.000 0.000 0.818 320 A HN 0.306 nan 8.150 nan 0.000 0.443 321 M N -0.656 118.944 119.600 0.001 0.000 2.156 321 M HA -0.024 4.454 4.480 -0.004 0.000 0.264 321 M C 2.546 178.851 176.300 0.008 0.000 1.067 321 M CA 1.430 56.731 55.300 0.002 0.000 1.131 321 M CB -1.339 31.260 32.600 -0.003 0.000 1.368 321 M HN 0.484 nan 8.290 nan 0.000 0.416 322 A N -0.349 122.478 122.820 0.012 0.000 1.877 322 A HA -0.173 4.145 4.320 -0.004 0.000 0.216 322 A C 2.469 180.063 177.584 0.018 0.000 1.186 322 A CA 2.366 54.415 52.037 0.019 0.000 0.620 322 A CB -1.021 17.995 19.000 0.026 0.000 0.822 322 A HN 0.486 nan 8.150 nan 0.000 0.443 323 S N -0.425 115.284 115.700 0.014 0.000 2.359 323 S HA -0.081 4.386 4.470 -0.004 0.000 0.224 323 S C 2.205 176.811 174.600 0.011 0.000 1.035 323 S CA 1.780 59.987 58.200 0.012 0.000 1.018 323 S CB -0.553 62.654 63.200 0.010 0.000 0.876 323 S HN 0.859 nan 8.310 nan 0.000 0.448 324 A N 1.521 124.346 122.820 0.009 0.000 1.877 324 A HA 0.033 4.350 4.320 -0.004 0.000 0.216 324 A C 2.300 179.890 177.584 0.010 0.000 1.186 324 A CA 1.573 53.614 52.037 0.008 0.000 0.620 324 A CB -0.919 18.085 19.000 0.006 0.000 0.822 324 A HN 0.577 nan 8.150 nan 0.000 0.443 325 L N -0.872 120.358 121.223 0.012 0.000 2.017 325 L HA -0.201 4.137 4.340 -0.004 0.000 0.208 325 L C 3.143 180.023 176.870 0.018 0.000 1.073 325 L CA 1.156 56.005 54.840 0.014 0.000 0.745 325 L CB -0.656 41.412 42.059 0.015 0.000 0.894 325 L HN 0.454 nan 8.230 nan 0.000 0.432 326 A N 0.022 122.854 122.820 0.020 0.000 1.978 326 A HA -0.214 4.104 4.320 -0.004 0.000 0.220 326 A C 1.969 179.565 177.584 0.020 0.000 1.170 326 A CA 1.933 53.984 52.037 0.024 0.000 0.636 326 A CB -0.497 18.518 19.000 0.025 0.000 0.810 326 A HN 0.495 nan 8.150 nan 0.000 0.448 327 N N -0.835 117.875 118.700 0.016 0.000 2.424 327 N HA 0.124 4.862 4.740 -0.004 0.000 0.178 327 N C 1.438 176.955 175.510 0.013 0.000 1.060 327 N CA 0.577 53.635 53.050 0.014 0.000 0.901 327 N CB 0.092 38.585 38.487 0.011 0.000 0.979 327 N HN 0.476 nan 8.380 nan 0.000 0.451 328 L N 0.822 122.053 121.223 0.013 0.000 2.298 328 L HA 0.112 4.449 4.340 -0.004 0.000 0.209 328 L C 0.758 177.636 176.870 0.013 0.000 1.084 328 L CA 0.060 54.907 54.840 0.012 0.000 0.816 328 L CB 0.008 42.073 42.059 0.010 0.000 0.967 328 L HN -0.091 nan 8.230 nan 0.000 0.460 329 V N -1.225 118.698 119.914 0.016 0.000 2.843 329 V HA 0.078 4.196 4.120 -0.004 0.000 0.305 329 V C 0.203 176.308 176.094 0.018 0.000 1.065 329 V CA -0.874 61.436 62.300 0.018 0.000 1.116 329 V CB 0.328 32.163 31.823 0.021 0.000 0.968 329 V HN 0.167 nan 8.190 nan 0.000 0.487 330 E N 1.728 121.939 120.200 0.018 0.000 2.383 330 E HA 0.182 4.530 4.350 -0.004 0.000 0.264 330 E C -0.102 176.510 176.600 0.021 0.000 1.050 330 E CA -0.266 56.145 56.400 0.018 0.000 0.896 330 E CB 0.890 30.600 29.700 0.016 0.000 0.982 330 E HN 0.882 nan 8.360 nan 0.000 0.424 331 E N 1.837 122.049 120.200 0.021 0.000 2.265 331 E HA 0.011 4.359 4.350 -0.004 0.000 0.272 331 E C -0.654 175.960 176.600 0.023 0.000 1.067 331 E CA -0.155 56.259 56.400 0.024 0.000 0.900 331 E CB 0.708 30.422 29.700 0.023 0.000 1.017 331 E HN 0.284 nan 8.360 nan 0.000 0.431 332 S N 2.667 118.383 115.700 0.027 0.000 2.576 332 S HA 0.011 4.479 4.470 -0.004 0.000 0.276 332 S C 1.129 175.743 174.600 0.024 0.000 1.339 332 S CA 0.081 58.296 58.200 0.026 0.000 1.039 332 S CB 0.911 64.129 63.200 0.030 0.000 0.902 332 S HN 0.639 nan 8.310 nan 0.000 0.516 333 S N 4.215 119.927 115.700 0.020 0.000 2.528 333 S HA 0.164 4.632 4.470 -0.004 0.000 0.219 333 S C 0.753 175.364 174.600 0.018 0.000 0.985 333 S CA -0.263 57.947 58.200 0.017 0.000 0.914 333 S CB -0.155 63.053 63.200 0.014 0.000 0.776 333 S HN 0.723 nan 8.310 nan 0.000 0.526 334 R N 1.087 121.600 120.500 0.021 0.000 2.861 334 R HA 0.179 4.517 4.340 -0.004 0.000 0.268 334 R C -0.096 176.217 176.300 0.022 0.000 1.027 334 R CA 0.020 56.133 56.100 0.022 0.000 1.163 334 R CB 0.123 30.440 30.300 0.027 0.000 1.060 334 R HN 0.270 nan 8.270 nan 0.000 0.483 335 Q N 0.976 120.788 119.800 0.020 0.000 2.340 335 Q HA 0.157 4.495 4.340 -0.004 0.000 0.249 335 Q C -0.760 175.255 176.000 0.025 0.000 0.957 335 Q CA -0.286 55.528 55.803 0.019 0.000 0.882 335 Q CB 0.797 29.542 28.738 0.013 0.000 1.235 335 Q HN 0.290 nan 8.270 nan 0.000 0.439 336 L N 4.790 126.028 121.223 0.026 0.000 2.453 336 L HA 0.256 4.593 4.340 -0.004 0.000 0.272 336 L C -2.107 174.779 176.870 0.027 0.000 1.182 336 L CA -1.071 53.791 54.840 0.036 0.000 0.858 336 L CB 0.168 42.246 42.059 0.033 0.000 1.120 336 L HN 0.571 nan 8.230 nan 0.000 0.474 337 P HA 0.062 nan 4.420 nan 0.000 0.266 337 P C -0.921 176.384 177.300 0.009 0.000 1.193 337 P CA -0.018 63.091 63.100 0.015 0.000 0.770 337 P CB 0.231 31.932 31.700 0.001 0.000 0.836 338 T N 1.938 116.491 114.554 -0.002 0.000 2.869 338 T HA 0.408 4.755 4.350 -0.004 0.000 0.295 338 T C 0.420 175.117 174.700 -0.005 0.000 0.987 338 T CA -0.270 61.827 62.100 -0.005 0.000 1.109 338 T CB 0.445 69.309 68.868 -0.006 0.000 0.932 338 T HN 0.487 nan 8.240 nan 0.000 0.518 339 A N 2.797 125.616 122.820 -0.002 0.000 2.587 339 A HA 0.483 4.800 4.320 -0.004 0.000 0.233 339 A C 0.926 178.514 177.584 0.008 0.000 1.049 339 A CA -0.269 51.776 52.037 0.013 0.000 0.754 339 A CB -0.300 18.704 19.000 0.007 0.000 0.977 339 A HN 1.101 nan 8.150 nan 0.000 0.509 340 A N 3.594 126.423 122.820 0.015 0.000 2.425 340 A HA 0.538 4.856 4.320 -0.004 0.000 0.242 340 A C -1.858 175.734 177.584 0.013 0.000 1.077 340 A CA -0.851 51.187 52.037 0.002 0.000 0.781 340 A CB -0.726 18.270 19.000 -0.006 0.000 1.020 340 A HN 0.740 nan 8.150 nan 0.000 0.494 341 P HA 0.336 nan 4.420 nan 0.000 0.275 341 P C -0.426 176.884 177.300 0.016 0.000 1.228 341 P CA -0.426 62.680 63.100 0.009 0.000 0.786 341 P CB 0.440 32.143 31.700 0.005 0.000 0.927 342 E N 3.203 123.412 120.200 0.016 0.000 2.465 342 E HA 0.069 4.416 4.350 -0.004 0.000 0.260 342 E C -1.704 174.907 176.600 0.018 0.000 0.980 342 E CA -0.859 55.552 56.400 0.019 0.000 0.927 342 E CB -0.435 29.275 29.700 0.016 0.000 0.934 342 E HN 0.348 nan 8.360 nan 0.000 0.459 343 P HA 0.136 nan 4.420 nan 0.000 0.272 343 P C -1.240 176.071 177.300 0.019 0.000 1.230 343 P CA -0.488 62.624 63.100 0.021 0.000 0.788 343 P CB 0.880 32.597 31.700 0.028 0.000 0.949 344 A N 2.038 124.866 122.820 0.014 0.000 2.450 344 A HA 0.148 4.466 4.320 -0.004 0.000 0.255 344 A C 0.561 178.151 177.584 0.012 0.000 1.096 344 A CA -0.359 51.684 52.037 0.010 0.000 0.778 344 A CB -0.320 18.682 19.000 0.003 0.000 1.031 344 A HN 0.563 nan 8.150 nan 0.000 0.494 345 K N 2.672 123.079 120.400 0.011 0.000 2.412 345 K HA 0.330 4.647 4.320 -0.004 0.000 0.281 345 K C -0.496 176.103 176.600 -0.002 0.000 1.027 345 K CA -0.187 56.107 56.287 0.013 0.000 0.989 345 K CB 0.341 32.850 32.500 0.015 0.000 0.935 345 K HN 0.441 nan 8.250 nan 0.000 0.475 346 V N 3.841 123.749 119.914 -0.010 0.000 2.644 346 V HA 0.030 4.148 4.120 -0.004 0.000 0.295 346 V C -0.192 175.873 176.094 -0.049 0.000 1.053 346 V CA -0.687 61.578 62.300 -0.057 0.000 0.987 346 V CB 1.458 33.218 31.823 -0.106 0.000 1.006 346 V HN 0.847 nan 8.190 nan 0.000 0.472 347 D N 2.960 123.315 120.400 -0.074 0.000 2.487 347 D HA 0.253 4.891 4.640 -0.004 0.000 0.243 347 D C -0.064 176.257 176.300 0.035 0.000 1.154 347 D CA 0.509 54.494 54.000 -0.024 0.000 0.876 347 D CB 0.674 41.460 40.800 -0.025 0.000 1.161 347 D HN 0.508 nan 8.370 nan 0.000 0.478 348 Q N 2.338 122.193 119.800 0.092 0.000 2.290 348 Q HA 0.249 4.586 4.340 -0.004 0.000 0.269 348 Q C -1.217 174.842 176.000 0.097 0.000 1.016 348 Q CA -0.816 55.084 55.803 0.162 0.000 0.754 348 Q CB 1.168 29.983 28.738 0.129 0.000 1.247 348 Q HN 0.385 nan 8.270 nan 0.000 0.451 349 D N 1.995 122.452 120.400 0.095 0.000 2.507 349 D HA 0.377 5.015 4.640 -0.004 0.000 0.280 349 D C 0.274 176.593 176.300 0.032 0.000 1.219 349 D CA -0.080 53.952 54.000 0.053 0.000 1.085 349 D CB 0.249 41.080 40.800 0.050 0.000 1.134 349 D HN 0.447 nan 8.370 nan 0.000 0.583 350 A N -1.031 121.802 122.820 0.020 0.000 2.206 350 A HA 0.358 4.675 4.320 -0.004 0.000 0.211 350 A C 1.339 178.924 177.584 0.001 0.000 1.158 350 A CA 0.904 52.948 52.037 0.011 0.000 0.761 350 A CB -0.992 18.015 19.000 0.011 0.000 0.801 350 A HN 0.554 nan 8.150 nan 0.000 0.473 351 G N -0.401 108.395 108.800 -0.007 0.000 2.783 351 G HA2 0.386 4.343 3.960 -0.004 0.000 0.182 351 G HA3 0.386 4.343 3.960 -0.004 0.000 0.182 351 G C 0.089 174.961 174.900 -0.047 0.000 1.516 351 G CA -0.910 44.176 45.100 -0.022 0.000 1.079 351 G HN 0.438 nan 8.290 nan 0.000 0.573 352 R N -0.764 119.692 120.500 -0.073 0.000 2.679 352 R HA 0.202 4.540 4.340 -0.004 0.000 0.268 352 R C -0.493 175.706 176.300 -0.169 0.000 1.044 352 R CA -0.154 55.887 56.100 -0.099 0.000 1.105 352 R CB 0.330 30.572 30.300 -0.097 0.000 0.989 352 R HN 0.178 nan 8.270 nan 0.000 0.447 353 L N 3.897 125.041 121.223 -0.133 0.000 2.319 353 L HA 0.114 4.452 4.340 -0.004 0.000 0.280 353 L C 0.597 177.365 176.870 -0.170 0.000 1.099 353 L CA -0.146 54.621 54.840 -0.122 0.000 0.828 353 L CB 0.372 42.385 42.059 -0.076 0.000 1.150 353 L HN 0.377 nan 8.230 nan 0.000 0.442 354 H N 4.335 123.395 119.070 -0.018 0.000 2.848 354 H HA 0.037 4.591 4.556 -0.004 0.000 0.341 354 H C -1.534 173.764 175.328 -0.050 0.000 1.060 354 H CA -1.472 54.569 56.048 -0.011 0.000 1.444 354 H CB 0.943 30.711 29.762 0.009 0.000 1.446 354 H HN 0.402 nan 8.280 nan 0.000 0.583 355 P HA -0.160 nan 4.420 nan 0.000 0.216 355 P C 1.106 178.366 177.300 -0.066 0.000 1.150 355 P CA 1.316 64.366 63.100 -0.083 0.000 0.843 355 P CB 0.422 32.166 31.700 0.073 0.000 0.787 356 E N -0.983 119.300 120.200 0.138 0.000 2.097 356 E HA -0.161 4.187 4.350 -0.004 0.000 0.196 356 E C 1.975 178.637 176.600 0.104 0.000 1.000 356 E CA 1.901 58.410 56.400 0.180 0.000 0.804 356 E CB -1.444 28.327 29.700 0.119 0.000 0.740 356 E HN 0.254 nan 8.360 nan 0.000 0.454 357 T N 0.306 114.900 114.554 0.067 0.000 2.720 357 T HA -0.152 4.196 4.350 -0.004 0.000 0.268 357 T C 2.021 176.706 174.700 -0.025 0.000 1.037 357 T CA 1.360 63.482 62.100 0.038 0.000 1.144 357 T CB -0.379 68.523 68.868 0.057 0.000 0.864 357 T HN -0.020 nan 8.240 nan 0.000 0.444 358 V N 0.898 120.729 119.914 -0.140 0.000 2.295 358 V HA -0.137 3.980 4.120 -0.004 0.000 0.246 358 V C 2.180 178.151 176.094 -0.205 0.000 1.049 358 V CA 1.692 63.845 62.300 -0.246 0.000 1.024 358 V CB -0.853 30.698 31.823 -0.453 0.000 0.648 358 V HN 0.378 nan 8.190 nan 0.000 0.447 359 F N 0.472 120.426 119.950 0.008 0.000 2.186 359 F HA -0.077 4.447 4.527 -0.004 0.000 0.299 359 F C 2.257 178.043 175.800 -0.024 0.000 1.090 359 F CA 1.095 59.077 58.000 -0.030 0.000 1.307 359 F CB -0.939 38.026 39.000 -0.057 0.000 1.019 359 F HN 0.180 nan 8.300 nan 0.000 0.489 360 D N -0.180 120.313 120.400 0.155 0.000 2.123 360 D HA -0.145 4.493 4.640 -0.004 0.000 0.196 360 D C 2.268 178.609 176.300 0.068 0.000 0.992 360 D CA 1.975 56.029 54.000 0.091 0.000 0.833 360 D CB -0.683 40.158 40.800 0.069 0.000 0.954 360 D HN 0.202 nan 8.370 nan 0.000 0.455 361 T N 0.843 115.428 114.554 0.052 0.000 2.770 361 T HA -0.020 4.327 4.350 -0.004 0.000 0.263 361 T C 2.276 177.014 174.700 0.063 0.000 1.039 361 T CA 0.354 62.480 62.100 0.042 0.000 1.142 361 T CB -0.286 68.593 68.868 0.019 0.000 0.868 361 T HN 0.094 nan 8.240 nan 0.000 0.435 362 L N 1.233 122.507 121.223 0.085 0.000 2.013 362 L HA -0.182 4.155 4.340 -0.004 0.000 0.212 362 L C 2.632 179.596 176.870 0.156 0.000 1.073 362 L CA 1.453 56.379 54.840 0.144 0.000 0.753 362 L CB -0.557 41.629 42.059 0.211 0.000 0.890 362 L HN 0.275 nan 8.230 nan 0.000 0.432 363 N N -0.285 118.486 118.700 0.118 0.000 2.142 363 N HA -0.196 4.541 4.740 -0.004 0.000 0.186 363 N C 1.478 177.034 175.510 0.077 0.000 1.023 363 N CA 1.355 54.462 53.050 0.095 0.000 0.852 363 N CB 0.010 38.526 38.487 0.049 0.000 0.998 363 N HN 0.192 nan 8.380 nan 0.000 0.424 364 D N -0.288 120.149 120.400 0.063 0.000 2.123 364 D HA -0.138 4.500 4.640 -0.004 0.000 0.196 364 D C 1.753 178.081 176.300 0.047 0.000 0.992 364 D CA 1.234 55.262 54.000 0.047 0.000 0.833 364 D CB -0.097 40.726 40.800 0.039 0.000 0.954 364 D HN 0.467 nan 8.370 nan 0.000 0.455 365 M N 0.085 119.719 119.600 0.056 0.000 2.466 365 M HA 0.166 4.644 4.480 -0.004 0.000 0.265 365 M C 1.010 177.338 176.300 0.047 0.000 1.122 365 M CA -0.010 55.317 55.300 0.045 0.000 1.157 365 M CB 0.304 32.929 32.600 0.042 0.000 1.352 365 M HN -0.182 nan 8.290 nan 0.000 0.464 366 A N 2.621 125.487 122.820 0.075 0.000 2.445 366 A HA 0.352 4.669 4.320 -0.004 0.000 0.242 366 A C -2.099 175.506 177.584 0.034 0.000 1.075 366 A CA -1.049 51.025 52.037 0.062 0.000 0.777 366 A CB -0.709 18.375 19.000 0.140 0.000 1.013 366 A HN 0.126 nan 8.150 nan 0.000 0.493 367 P HA 0.168 nan 4.420 nan 0.000 0.274 367 P C 0.049 177.343 177.300 -0.008 0.000 1.237 367 P CA -0.173 62.920 63.100 -0.011 0.000 0.793 367 P CB 0.682 32.364 31.700 -0.031 0.000 0.977 368 E N 0.720 120.917 120.200 -0.004 0.000 2.268 368 E HA -0.143 4.204 4.350 -0.004 0.000 0.195 368 E C 0.894 177.487 176.600 -0.011 0.000 0.995 368 E CA 0.900 57.300 56.400 0.001 0.000 0.836 368 E CB -0.196 29.502 29.700 -0.004 0.000 0.763 368 E HN 0.517 nan 8.360 nan 0.000 0.491 369 N N 0.582 119.265 118.700 -0.029 0.000 2.295 369 N HA 0.097 4.834 4.740 -0.004 0.000 0.221 369 N C -0.222 175.242 175.510 -0.078 0.000 1.129 369 N CA -0.040 52.985 53.050 -0.041 0.000 0.836 369 N CB 0.082 38.547 38.487 -0.036 0.000 1.040 369 N HN -0.069 nan 8.380 nan 0.000 0.494 370 A N 0.739 123.488 122.820 -0.118 0.000 2.507 370 A HA 0.379 4.696 4.320 -0.004 0.000 0.235 370 A C 0.203 177.604 177.584 -0.304 0.000 1.070 370 A CA -0.088 51.789 52.037 -0.267 0.000 0.768 370 A CB 0.061 18.802 19.000 -0.432 0.000 1.011 370 A HN 0.416 nan 8.150 nan 0.000 0.502 371 I N 0.762 121.126 120.570 -0.342 0.000 2.441 371 I HA 0.381 4.548 4.170 -0.004 0.000 0.295 371 I C -1.159 174.749 176.117 -0.348 0.000 0.994 371 I CA -0.357 60.821 61.300 -0.203 0.000 1.144 371 I CB 1.441 39.425 38.000 -0.026 0.000 1.314 371 I HN 0.605 nan 8.210 nan 0.000 0.445 372 Y N 5.640 125.967 120.300 0.045 0.000 2.446 372 Y HA 0.649 5.197 4.550 -0.004 0.000 0.338 372 Y C -0.510 175.401 175.900 0.018 0.000 1.055 372 Y CA -0.798 57.322 58.100 0.032 0.000 1.101 372 Y CB 1.774 40.260 38.460 0.044 0.000 1.221 372 Y HN 0.309 nan 8.280 nan 0.000 0.460 373 L N 2.811 124.132 121.223 0.163 0.000 2.386 373 L HA 0.465 4.803 4.340 -0.004 0.000 0.271 373 L C -0.775 176.161 176.870 0.111 0.000 0.993 373 L CA -0.609 54.279 54.840 0.079 0.000 0.819 373 L CB 1.770 43.867 42.059 0.064 0.000 1.294 373 L HN 0.559 nan 8.230 nan 0.000 0.414 374 N N 1.691 120.443 118.700 0.086 0.000 2.407 374 N HA 0.340 5.077 4.740 -0.004 0.000 0.277 374 N C -0.689 175.039 175.510 0.363 0.000 0.995 374 N CA -0.199 53.002 53.050 0.252 0.000 0.903 374 N CB 1.439 40.117 38.487 0.318 0.000 1.218 374 N HN 0.691 nan 8.380 nan 0.000 0.487 375 E N 1.655 122.038 120.200 0.304 0.000 3.586 375 E HA 0.119 4.466 4.350 -0.004 0.000 0.175 375 E C -1.247 175.514 176.600 0.269 0.000 0.980 375 E CA -0.062 56.508 56.400 0.283 0.000 1.391 375 E CB 0.238 30.054 29.700 0.193 0.000 1.101 375 E HN 0.353 nan 8.360 nan 0.000 0.440 376 S N 0.369 116.247 115.700 0.296 0.000 2.695 376 S HA 0.093 4.560 4.470 -0.004 0.000 0.275 376 S C 1.239 176.008 174.600 0.281 0.000 1.203 376 S CA -0.154 58.206 58.200 0.268 0.000 1.061 376 S CB 0.398 63.765 63.200 0.279 0.000 1.152 376 S HN 0.395 nan 8.310 nan 0.000 0.495 377 T N 0.934 115.654 114.554 0.276 0.000 2.951 377 T HA -0.103 4.244 4.350 -0.004 0.000 0.268 377 T C 1.796 176.611 174.700 0.192 0.000 1.073 377 T CA 1.238 63.509 62.100 0.285 0.000 1.134 377 T CB -0.410 68.638 68.868 0.300 0.000 0.884 377 T HN 0.646 nan 8.240 nan 0.000 0.479 378 S N 1.522 117.322 115.700 0.166 0.000 2.558 378 S HA 0.039 4.506 4.470 -0.004 0.000 0.217 378 S C 1.691 176.325 174.600 0.058 0.000 0.975 378 S CA 0.442 58.688 58.200 0.078 0.000 0.912 378 S CB -0.577 62.695 63.200 0.120 0.000 0.776 378 S HN 0.719 nan 8.310 nan 0.000 0.526 379 T N -2.828 111.810 114.554 0.139 0.000 3.200 379 T HA 0.258 4.606 4.350 -0.004 0.000 0.284 379 T C 1.107 175.879 174.700 0.121 0.000 1.009 379 T CA 0.057 62.275 62.100 0.198 0.000 0.907 379 T CB -0.073 69.035 68.868 0.400 0.000 1.120 379 T HN 0.139 nan 8.240 nan 0.000 0.534 380 T N 2.155 116.748 114.554 0.064 0.000 2.708 380 T HA 0.020 4.367 4.350 -0.004 0.000 0.266 380 T C 2.426 177.160 174.700 0.056 0.000 1.037 380 T CA 1.552 63.681 62.100 0.049 0.000 1.146 380 T CB -0.698 68.186 68.868 0.027 0.000 0.865 380 T HN 0.627 nan 8.240 nan 0.000 0.435 381 A N 1.675 124.495 122.820 0.000 0.000 1.873 381 A HA -0.194 4.124 4.320 -0.004 0.000 0.218 381 A C 2.359 179.944 177.584 0.002 0.000 1.193 381 A CA 1.446 53.478 52.037 -0.007 0.000 0.629 381 A CB -0.636 18.324 19.000 -0.067 0.000 0.826 381 A HN 0.365 nan 8.150 nan 0.000 0.447 382 Q N -1.217 118.569 119.800 -0.023 0.000 2.224 382 Q HA -0.125 4.213 4.340 -0.004 0.000 0.203 382 Q C 2.061 177.913 176.000 -0.248 0.000 0.970 382 Q CA 1.417 57.206 55.803 -0.023 0.000 0.865 382 Q CB -0.431 28.378 28.738 0.118 0.000 0.922 382 Q HN 0.834 nan 8.270 nan 0.000 0.445 383 M N -1.148 118.092 119.600 -0.601 0.000 2.117 383 M HA -0.181 4.296 4.480 -0.004 0.000 0.262 383 M C 1.464 177.386 176.300 -0.630 0.000 1.065 383 M CA 1.555 56.142 55.300 -1.188 0.000 1.114 383 M CB -0.119 31.774 32.600 -1.178 0.000 1.361 383 M HN 0.178 nan 8.290 nan 0.000 0.408 384 W N 0.749 121.809 121.300 -0.400 0.000 2.388 384 W HA -0.171 4.487 4.660 -0.004 0.000 0.294 384 W C 2.408 178.830 176.519 -0.161 0.000 1.212 384 W CA 1.350 58.526 57.345 -0.282 0.000 1.271 384 W CB -0.233 29.087 29.460 -0.233 0.000 1.126 384 W HN 0.326 nan 8.180 nan 0.000 0.535 385 Q N -0.526 119.321 119.800 0.079 0.000 2.123 385 Q HA -0.089 4.249 4.340 -0.004 0.000 0.199 385 Q C 1.947 177.952 176.000 0.008 0.000 0.966 385 Q CA 1.131 56.970 55.803 0.060 0.000 0.845 385 Q CB -0.200 28.559 28.738 0.036 0.000 0.907 385 Q HN 0.300 nan 8.270 nan 0.000 0.439 386 R N -0.497 119.965 120.500 -0.064 0.000 2.312 386 R HA 0.226 4.564 4.340 -0.004 0.000 0.205 386 R C -0.052 176.200 176.300 -0.079 0.000 0.904 386 R CA -0.014 56.066 56.100 -0.034 0.000 1.052 386 R CB 0.569 30.894 30.300 0.041 0.000 1.014 386 R HN 0.079 nan 8.270 nan 0.000 0.503 387 L N 1.273 122.378 121.223 -0.197 0.000 2.296 387 L HA 0.277 4.614 4.340 -0.004 0.000 0.286 387 L C -0.378 176.391 176.870 -0.169 0.000 1.023 387 L CA -0.567 54.124 54.840 -0.249 0.000 0.812 387 L CB 1.658 43.382 42.059 -0.557 0.000 1.223 387 L HN 0.075 nan 8.230 nan 0.000 0.421 388 N N 4.524 123.175 118.700 -0.081 0.000 2.402 388 N HA 0.308 5.045 4.740 -0.004 0.000 0.252 388 N C -0.827 174.659 175.510 -0.041 0.000 1.118 388 N CA -0.379 52.641 53.050 -0.051 0.000 0.945 388 N CB 0.511 38.989 38.487 -0.015 0.000 1.147 388 N HN 0.538 nan 8.380 nan 0.000 0.495 389 M N 3.511 123.055 119.600 -0.094 0.000 2.036 389 M HA 0.239 4.717 4.480 -0.004 0.000 0.337 389 M C 0.885 177.122 176.300 -0.105 0.000 1.012 389 M CA -0.429 54.829 55.300 -0.071 0.000 0.962 389 M CB 1.505 34.034 32.600 -0.118 0.000 1.423 389 M HN 0.476 nan 8.290 nan 0.000 0.405 390 R N 0.534 120.991 120.500 -0.071 0.000 2.127 390 R HA 0.110 4.448 4.340 -0.004 0.000 0.217 390 R C 0.349 176.587 176.300 -0.103 0.000 1.074 390 R CA 0.748 56.793 56.100 -0.092 0.000 0.991 390 R CB 0.208 30.472 30.300 -0.060 0.000 0.895 390 R HN 0.615 nan 8.270 nan 0.000 0.450 391 N N 0.864 119.519 118.700 -0.074 0.000 2.459 391 N HA 0.309 5.046 4.740 -0.004 0.000 0.288 391 N C -2.620 172.854 175.510 -0.059 0.000 1.186 391 N CA -1.666 51.346 53.050 -0.063 0.000 0.917 391 N CB 1.059 39.522 38.487 -0.040 0.000 1.219 391 N HN -0.198 nan 8.380 nan 0.000 0.525 392 P HA 0.146 nan 4.420 nan 0.000 0.275 392 P C 0.383 177.676 177.300 -0.011 0.000 1.266 392 P CA 0.061 63.144 63.100 -0.030 0.000 0.793 392 P CB 0.215 31.905 31.700 -0.016 0.000 1.074 393 G N 0.137 108.929 108.800 -0.013 0.000 2.390 393 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.299 393 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.299 393 G C 0.534 175.443 174.900 0.015 0.000 1.002 393 G CA 0.582 45.694 45.100 0.020 0.000 0.979 393 G HN 0.432 nan 8.290 nan 0.000 0.513 394 S N -1.606 114.054 115.700 -0.066 0.000 2.559 394 S HA 0.355 4.823 4.470 -0.004 0.000 0.226 394 S C -0.049 174.594 174.600 0.072 0.000 1.000 394 S CA 0.131 58.341 58.200 0.016 0.000 0.948 394 S CB 0.631 63.845 63.200 0.022 0.000 0.870 394 S HN 0.734 nan 8.310 nan 0.000 0.497 395 Y N 0.869 120.991 120.300 -0.297 0.000 2.433 395 Y HA 0.580 5.128 4.550 -0.004 0.000 0.337 395 Y C -2.037 173.579 175.900 -0.474 0.000 1.026 395 Y CA -1.370 56.587 58.100 -0.238 0.000 1.037 395 Y CB 1.005 39.288 38.460 -0.295 0.000 1.245 395 Y HN 0.040 nan 8.280 nan 0.000 0.443 396 Y N 6.087 126.152 120.300 -0.393 0.000 2.524 396 Y HA 0.641 5.189 4.550 -0.004 0.000 0.347 396 Y C -1.384 174.370 175.900 -0.242 0.000 1.005 396 Y CA -1.249 56.766 58.100 -0.143 0.000 1.025 396 Y CB 2.312 40.865 38.460 0.155 0.000 1.275 396 Y HN 0.585 nan 8.280 nan 0.000 0.460 397 F N 1.807 121.734 119.950 -0.038 0.000 2.628 397 F HA 0.511 5.035 4.527 -0.004 0.000 0.309 397 F C -0.627 175.019 175.800 -0.255 0.000 1.108 397 F CA -1.779 56.200 58.000 -0.035 0.000 0.971 397 F CB 0.954 40.000 39.000 0.077 0.000 1.279 397 F HN 0.736 nan 8.300 nan 0.000 0.441 398 C N 4.269 122.874 119.300 -1.159 0.000 2.551 398 C HA 0.446 4.903 4.460 -0.004 0.000 0.400 398 C C 1.623 176.116 174.990 -0.829 0.000 1.460 398 C CA -0.005 58.318 59.018 -1.159 0.000 1.447 398 C CB -1.273 26.010 27.740 -0.762 0.000 2.401 398 C HN 1.031 nan 8.230 nan 0.000 0.623 399 A N 3.378 125.851 122.820 -0.579 0.000 1.972 399 A HA 0.207 4.525 4.320 -0.004 0.000 0.219 399 A C 2.200 179.687 177.584 -0.162 0.000 1.169 399 A CA 1.741 53.634 52.037 -0.240 0.000 0.635 399 A CB -0.420 18.451 19.000 -0.215 0.000 0.810 399 A HN 1.642 nan 8.150 nan 0.000 0.446 400 A N -1.935 120.762 122.820 -0.205 0.000 2.500 400 A HA 0.470 4.787 4.320 -0.004 0.000 0.267 400 A C 1.530 179.014 177.584 -0.166 0.000 1.290 400 A CA 0.901 52.862 52.037 -0.126 0.000 0.928 400 A CB -0.875 18.083 19.000 -0.071 0.000 1.066 400 A HN 1.810 nan 8.150 nan 0.000 0.516 401 G N -0.884 107.765 108.800 -0.251 0.000 2.168 401 G HA2 -0.108 3.849 3.960 -0.004 0.000 0.257 401 G HA3 -0.108 3.849 3.960 -0.004 0.000 0.257 401 G C 0.642 175.400 174.900 -0.237 0.000 0.997 401 G CA 0.255 45.204 45.100 -0.252 0.000 0.708 401 G HN 1.461 nan 8.290 nan 0.000 0.520 402 G N 0.102 108.755 108.800 -0.245 0.000 2.356 402 G HA2 0.579 4.536 3.960 -0.004 0.000 0.300 402 G HA3 0.579 4.536 3.960 -0.004 0.000 0.300 402 G C 0.529 175.281 174.900 -0.247 0.000 1.107 402 G CA -0.658 44.314 45.100 -0.212 0.000 0.960 402 G HN 0.588 nan 8.290 nan 0.000 0.418 403 L N 1.761 122.755 121.223 -0.381 0.000 2.467 403 L HA 0.393 4.730 4.340 -0.004 0.000 0.270 403 L C 1.523 178.178 176.870 -0.358 0.000 1.205 403 L CA 0.859 55.426 54.840 -0.455 0.000 0.828 403 L CB 0.804 42.367 42.059 -0.827 0.000 1.101 403 L HN 0.824 nan 8.230 nan 0.000 0.479 404 G N 1.596 110.355 108.800 -0.069 0.000 2.144 404 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.218 404 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.218 404 G C 0.205 175.164 174.900 0.097 0.000 0.988 404 G CA 0.335 45.497 45.100 0.104 0.000 0.659 404 G HN 0.674 nan 8.290 nan 0.000 0.522 405 F N 1.430 121.343 119.950 -0.062 0.000 2.188 405 F HA 0.503 5.028 4.527 -0.004 0.000 0.289 405 F C 2.466 178.250 175.800 -0.026 0.000 1.082 405 F CA 1.894 59.855 58.000 -0.065 0.000 1.282 405 F CB -0.466 38.456 39.000 -0.129 0.000 1.060 405 F HN 0.235 nan 8.300 nan 0.000 0.493 406 A N 1.101 123.858 122.820 -0.105 0.000 1.902 406 A HA -0.146 4.172 4.320 -0.004 0.000 0.217 406 A C 2.315 179.819 177.584 -0.133 0.000 1.181 406 A CA 1.834 53.766 52.037 -0.175 0.000 0.623 406 A CB -1.307 17.756 19.000 0.105 0.000 0.818 406 A HN 0.595 nan 8.150 nan 0.000 0.443 407 L N 0.057 121.289 121.223 0.014 0.000 1.988 407 L HA -0.070 4.267 4.340 -0.004 0.000 0.207 407 L C -0.433 176.504 176.870 0.112 0.000 1.071 407 L CA 1.793 56.732 54.840 0.165 0.000 0.744 407 L CB -0.729 41.406 42.059 0.126 0.000 0.893 407 L HN 0.258 nan 8.230 nan 0.000 0.433 408 P HA -0.144 nan 4.420 nan 0.000 0.216 408 P C 1.331 178.520 177.300 -0.185 0.000 1.153 408 P CA 1.948 65.008 63.100 -0.067 0.000 0.844 408 P CB -0.108 31.546 31.700 -0.077 0.000 0.787 409 A N 0.820 123.384 122.820 -0.427 0.000 1.940 409 A HA -0.126 4.192 4.320 -0.004 0.000 0.219 409 A C 2.506 179.861 177.584 -0.383 0.000 1.176 409 A CA 2.336 54.016 52.037 -0.595 0.000 0.631 409 A CB -1.611 16.548 19.000 -1.401 0.000 0.814 409 A HN 0.231 nan 8.150 nan 0.000 0.446 410 A N -0.152 122.504 122.820 -0.273 0.000 1.940 410 A HA -0.118 4.200 4.320 -0.004 0.000 0.219 410 A C 2.094 179.592 177.584 -0.142 0.000 1.176 410 A CA 1.644 53.564 52.037 -0.196 0.000 0.631 410 A CB -0.587 18.304 19.000 -0.181 0.000 0.814 410 A HN 0.538 nan 8.150 nan 0.000 0.446 411 I N -0.678 119.864 120.570 -0.046 0.000 2.286 411 I HA -0.119 4.049 4.170 -0.004 0.000 0.245 411 I C 2.704 178.817 176.117 -0.006 0.000 1.104 411 I CA 1.007 62.318 61.300 0.019 0.000 1.397 411 I CB -0.608 37.453 38.000 0.101 0.000 1.072 411 I HN 0.367 nan 8.210 nan 0.000 0.417 412 G N 0.579 109.347 108.800 -0.054 0.000 2.418 412 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.217 412 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.217 412 G C 1.727 176.646 174.900 0.032 0.000 1.158 412 G CA 0.795 45.890 45.100 -0.008 0.000 0.771 412 G HN 0.218 nan 8.290 nan 0.000 0.545 413 V N 0.597 120.439 119.914 -0.120 0.000 2.343 413 V HA -0.218 3.900 4.120 -0.004 0.000 0.247 413 V C 2.781 178.833 176.094 -0.070 0.000 1.051 413 V CA 2.276 64.480 62.300 -0.161 0.000 1.036 413 V CB -0.370 31.283 31.823 -0.284 0.000 0.654 413 V HN 0.433 nan 8.190 nan 0.000 0.451 414 Q N -0.317 119.448 119.800 -0.058 0.000 2.167 414 Q HA -0.157 4.181 4.340 -0.004 0.000 0.202 414 Q C 1.879 177.891 176.000 0.020 0.000 0.970 414 Q CA 1.590 57.370 55.803 -0.038 0.000 0.855 414 Q CB -0.438 28.262 28.738 -0.062 0.000 0.911 414 Q HN 0.545 nan 8.270 nan 0.000 0.438 415 L N -0.228 121.042 121.223 0.078 0.000 2.109 415 L HA 0.085 4.422 4.340 -0.004 0.000 0.207 415 L C 1.987 178.995 176.870 0.229 0.000 1.086 415 L CA 1.951 56.882 54.840 0.153 0.000 0.760 415 L CB -0.864 41.306 42.059 0.185 0.000 0.910 415 L HN 0.225 nan 8.230 nan 0.000 0.437 416 A N -1.420 121.521 122.820 0.202 0.000 1.929 416 A HA -0.040 4.278 4.320 -0.004 0.000 0.216 416 A C 1.144 178.709 177.584 -0.032 0.000 1.176 416 A CA 1.042 53.063 52.037 -0.026 0.000 0.628 416 A CB -0.232 18.591 19.000 -0.294 0.000 0.816 416 A HN 0.424 nan 8.150 nan 0.000 0.444 417 E N -0.300 119.890 120.200 -0.017 0.000 2.969 417 E HA 0.174 4.522 4.350 -0.004 0.000 0.213 417 E C -2.148 174.445 176.600 -0.013 0.000 1.107 417 E CA -1.684 54.703 56.400 -0.021 0.000 1.007 417 E CB 0.917 30.600 29.700 -0.027 0.000 1.326 417 E HN 0.409 nan 8.360 nan 0.000 0.432 418 P HA -0.080 nan 4.420 nan 0.000 0.223 418 P C 0.696 177.989 177.300 -0.011 0.000 1.151 418 P CA 0.869 63.970 63.100 0.001 0.000 0.787 418 P CB 0.620 32.329 31.700 0.014 0.000 0.788 419 E N -0.299 119.892 120.200 -0.014 0.000 2.474 419 E HA 0.077 4.425 4.350 -0.004 0.000 0.194 419 E C 0.607 177.190 176.600 -0.029 0.000 1.041 419 E CA 0.218 56.607 56.400 -0.019 0.000 0.874 419 E CB 0.282 29.973 29.700 -0.015 0.000 0.914 419 E HN 0.409 nan 8.360 nan 0.000 0.498 420 R N 1.239 121.717 120.500 -0.036 0.000 2.494 420 R HA 0.239 4.577 4.340 -0.004 0.000 0.305 420 R C -0.261 175.995 176.300 -0.074 0.000 0.959 420 R CA -0.769 55.300 56.100 -0.053 0.000 0.864 420 R CB 1.360 31.631 30.300 -0.048 0.000 1.159 420 R HN -0.155 nan 8.270 nan 0.000 0.446 421 Q N 2.437 122.180 119.800 -0.095 0.000 2.296 421 Q HA 0.146 4.484 4.340 -0.004 0.000 0.263 421 Q C -0.939 174.957 176.000 -0.174 0.000 1.026 421 Q CA 0.010 55.742 55.803 -0.119 0.000 0.912 421 Q CB 1.000 29.671 28.738 -0.112 0.000 1.198 421 Q HN 0.396 nan 8.270 nan 0.000 0.407 422 V N 6.612 126.424 119.914 -0.171 0.000 2.509 422 V HA 0.423 4.540 4.120 -0.004 0.000 0.284 422 V C 0.150 176.096 176.094 -0.246 0.000 1.047 422 V CA -0.405 61.772 62.300 -0.205 0.000 0.952 422 V CB 1.069 32.782 31.823 -0.182 0.000 0.988 422 V HN 0.735 nan 8.190 nan 0.000 0.469 423 I N 4.046 124.468 120.570 -0.247 0.000 2.497 423 I HA 0.585 4.752 4.170 -0.004 0.000 0.284 423 I C 0.003 176.091 176.117 -0.050 0.000 1.060 423 I CA -0.512 60.687 61.300 -0.169 0.000 1.071 423 I CB 1.753 39.675 38.000 -0.130 0.000 1.216 423 I HN 0.642 nan 8.210 nan 0.000 0.442 424 A N 6.530 129.294 122.820 -0.093 0.000 2.260 424 A HA 0.701 5.018 4.320 -0.004 0.000 0.314 424 A C -0.400 177.256 177.584 0.120 0.000 1.257 424 A CA -0.449 51.602 52.037 0.022 0.000 0.871 424 A CB 0.918 19.906 19.000 -0.021 0.000 1.166 424 A HN 0.455 nan 8.150 nan 0.000 0.522 425 V N 4.911 124.939 119.914 0.190 0.000 2.334 425 V HA 0.317 4.434 4.120 -0.004 0.000 0.267 425 V C -0.275 175.938 176.094 0.198 0.000 1.040 425 V CA 0.169 62.594 62.300 0.208 0.000 0.866 425 V CB 0.039 32.053 31.823 0.318 0.000 1.019 425 V HN 0.703 nan 8.190 nan 0.000 0.468 426 I N 3.759 124.420 120.570 0.150 0.000 2.465 426 I HA 0.585 4.753 4.170 -0.004 0.000 0.291 426 I C 1.013 177.180 176.117 0.082 0.000 1.014 426 I CA -0.321 61.064 61.300 0.142 0.000 1.093 426 I CB 1.908 39.996 38.000 0.146 0.000 1.267 426 I HN 0.634 nan 8.210 nan 0.000 0.431 427 G N 3.026 111.903 108.800 0.128 0.000 2.594 427 G HA2 0.056 4.014 3.960 -0.004 0.000 0.243 427 G HA3 0.056 4.014 3.960 -0.004 0.000 0.243 427 G C 0.819 175.751 174.900 0.054 0.000 1.229 427 G CA -0.256 44.908 45.100 0.107 0.000 0.843 427 G HN 0.818 nan 8.290 nan 0.000 0.578 428 D N 0.442 120.851 120.400 0.015 0.000 2.144 428 D HA -0.112 4.526 4.640 -0.004 0.000 0.199 428 D C 2.167 178.646 176.300 0.299 0.000 0.984 428 D CA 1.376 55.397 54.000 0.035 0.000 0.834 428 D CB -0.863 40.033 40.800 0.160 0.000 0.955 428 D HN 0.469 nan 8.370 nan 0.000 0.465 429 G N 0.416 109.389 108.800 0.289 0.000 2.404 429 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.215 429 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.215 429 G C 1.856 177.096 174.900 0.567 0.000 1.174 429 G CA 1.071 46.437 45.100 0.443 0.000 0.780 429 G HN 0.363 nan 8.290 nan 0.000 0.537 430 S N 1.042 117.040 115.700 0.496 0.000 2.423 430 S HA 0.064 4.532 4.470 -0.004 0.000 0.231 430 S C 2.683 177.550 174.600 0.444 0.000 1.014 430 S CA 0.950 59.446 58.200 0.494 0.000 0.965 430 S CB -0.234 63.131 63.200 0.275 0.000 0.785 430 S HN 0.573 nan 8.310 nan 0.000 0.495 431 A N 2.587 125.596 122.820 0.315 0.000 2.019 431 A HA -0.111 4.206 4.320 -0.004 0.000 0.219 431 A C 1.833 179.591 177.584 0.289 0.000 1.164 431 A CA 1.206 53.397 52.037 0.257 0.000 0.644 431 A CB -0.423 18.680 19.000 0.171 0.000 0.805 431 A HN 0.472 nan 8.150 nan 0.000 0.449 432 N N -1.347 117.529 118.700 0.293 0.000 2.409 432 N HA -0.086 4.652 4.740 -0.004 0.000 0.179 432 N C 1.297 176.848 175.510 0.068 0.000 1.032 432 N CA 1.038 54.173 53.050 0.143 0.000 0.898 432 N CB -0.404 38.104 38.487 0.036 0.000 0.971 432 N HN 0.650 nan 8.380 nan 0.000 0.441 433 Y N 1.172 121.551 120.300 0.132 0.000 2.224 433 Y HA -0.031 4.516 4.550 -0.004 0.000 0.289 433 Y C 1.428 177.369 175.900 0.068 0.000 1.146 433 Y CA 0.945 59.103 58.100 0.096 0.000 1.182 433 Y CB 0.141 38.656 38.460 0.092 0.000 0.983 433 Y HN -0.096 nan 8.280 nan 0.000 0.524 434 S N -0.724 115.104 115.700 0.212 0.000 2.740 434 S HA 0.138 4.606 4.470 -0.004 0.000 0.244 434 S C 1.076 175.706 174.600 0.051 0.000 1.101 434 S CA -0.318 57.947 58.200 0.108 0.000 1.123 434 S CB -0.089 63.164 63.200 0.089 0.000 1.012 434 S HN 0.218 nan 8.310 nan 0.000 0.491 435 I N 2.731 123.342 120.570 0.068 0.000 2.264 435 I HA -0.167 4.000 4.170 -0.004 0.000 0.248 435 I C 2.310 178.377 176.117 -0.083 0.000 1.111 435 I CA 1.718 63.051 61.300 0.056 0.000 1.382 435 I CB -0.228 37.858 38.000 0.144 0.000 1.060 435 I HN 0.467 nan 8.210 nan 0.000 0.418 436 S N 0.469 116.073 115.700 -0.161 0.000 2.507 436 S HA -0.015 4.453 4.470 -0.004 0.000 0.235 436 S C 2.148 176.498 174.600 -0.417 0.000 0.988 436 S CA 0.597 58.470 58.200 -0.545 0.000 0.944 436 S CB -0.856 62.175 63.200 -0.282 0.000 0.762 436 S HN 0.473 nan 8.310 nan 0.000 0.526 437 A N 2.074 124.786 122.820 -0.181 0.000 2.019 437 A HA 0.144 4.462 4.320 -0.004 0.000 0.219 437 A C 2.150 179.691 177.584 -0.072 0.000 1.164 437 A CA 1.081 53.078 52.037 -0.067 0.000 0.644 437 A CB -0.819 18.167 19.000 -0.023 0.000 0.805 437 A HN 0.564 nan 8.150 nan 0.000 0.449 438 L N -2.486 118.620 121.223 -0.195 0.000 2.089 438 L HA -0.271 4.067 4.340 -0.004 0.000 0.213 438 L C 2.449 179.311 176.870 -0.014 0.000 1.079 438 L CA 1.885 56.619 54.840 -0.178 0.000 0.758 438 L CB -0.495 41.479 42.059 -0.142 0.000 0.891 438 L HN 0.773 nan 8.230 nan 0.000 0.433 439 W N 0.822 121.966 121.300 -0.260 0.000 2.338 439 W HA -0.231 4.426 4.660 -0.006 0.000 0.304 439 W C 2.544 179.074 176.519 0.018 0.000 1.212 439 W CA 2.204 59.496 57.345 -0.088 0.000 1.264 439 W CB -0.311 29.044 29.460 -0.176 0.000 1.142 439 W HN -0.014 nan 8.180 nan 0.000 0.512 440 T N 0.249 114.907 114.554 0.173 0.000 2.821 440 T HA -0.125 4.223 4.350 -0.004 0.000 0.267 440 T C 1.969 176.742 174.700 0.122 0.000 1.046 440 T CA 1.645 63.850 62.100 0.174 0.000 1.139 440 T CB -0.861 68.176 68.868 0.282 0.000 0.871 440 T HN 0.236 nan 8.240 nan 0.000 0.454 441 A N 1.681 124.559 122.820 0.096 0.000 1.883 441 A HA 0.089 4.406 4.320 -0.004 0.000 0.217 441 A C 2.652 180.254 177.584 0.031 0.000 1.186 441 A CA 1.936 54.045 52.037 0.120 0.000 0.624 441 A CB -1.177 17.959 19.000 0.228 0.000 0.822 441 A HN 0.508 nan 8.150 nan 0.000 0.444 442 A N -1.452 121.332 122.820 -0.061 0.000 1.898 442 A HA -0.155 4.162 4.320 -0.004 0.000 0.216 442 A C 2.140 179.565 177.584 -0.265 0.000 1.181 442 A CA 1.624 53.584 52.037 -0.128 0.000 0.620 442 A CB -0.457 18.471 19.000 -0.121 0.000 0.819 442 A HN 0.491 nan 8.150 nan 0.000 0.442 443 Q N -1.325 118.161 119.800 -0.522 0.000 2.119 443 Q HA -0.121 4.217 4.340 -0.004 0.000 0.201 443 Q C 1.215 176.839 176.000 -0.626 0.000 0.972 443 Q CA 1.448 56.806 55.803 -0.742 0.000 0.847 443 Q CB -0.315 27.610 28.738 -1.355 0.000 0.903 443 Q HN 0.879 nan 8.270 nan 0.000 0.433 444 Y N -0.110 120.061 120.300 -0.216 0.000 2.457 444 Y HA 0.113 4.661 4.550 -0.003 0.000 0.263 444 Y C 0.389 176.244 175.900 -0.074 0.000 1.164 444 Y CA -0.199 57.831 58.100 -0.117 0.000 1.274 444 Y CB 0.084 38.492 38.460 -0.086 0.000 1.097 444 Y HN 0.138 nan 8.280 nan 0.000 0.523 445 N N 1.032 119.741 118.700 0.014 0.000 2.727 445 N HA -0.215 4.522 4.740 -0.004 0.000 0.251 445 N C -1.177 174.361 175.510 0.048 0.000 1.040 445 N CA 0.259 53.318 53.050 0.015 0.000 0.712 445 N CB -1.344 37.141 38.487 -0.003 0.000 0.912 445 N HN 0.356 nan 8.380 nan 0.000 0.545 446 I N 1.141 121.753 120.570 0.071 0.000 2.297 446 I HA 0.235 4.403 4.170 -0.004 0.000 0.291 446 I C -1.397 174.751 176.117 0.051 0.000 1.033 446 I CA -1.903 59.435 61.300 0.064 0.000 1.253 446 I CB 1.265 39.315 38.000 0.083 0.000 1.396 446 I HN 0.066 nan 8.210 nan 0.000 0.476 447 P HA 0.047 nan 4.420 nan 0.000 0.254 447 P C -0.007 177.262 177.300 -0.052 0.000 1.631 447 P CA -0.196 62.905 63.100 0.002 0.000 0.861 447 P CB -0.546 31.150 31.700 -0.007 0.000 1.663 448 T N 1.439 115.936 114.554 -0.096 0.000 2.946 448 T HA 0.121 4.469 4.350 -0.004 0.000 0.311 448 T C 0.792 175.253 174.700 -0.399 0.000 1.063 448 T CA 0.557 62.465 62.100 -0.320 0.000 1.139 448 T CB 0.473 69.029 68.868 -0.519 0.000 0.994 448 T HN 0.081 nan 8.240 nan 0.000 0.547 449 I N 3.277 123.593 120.570 -0.424 0.000 2.336 449 I HA 0.347 4.515 4.170 -0.004 0.000 0.292 449 I C -0.683 175.189 176.117 -0.407 0.000 0.991 449 I CA -0.595 60.547 61.300 -0.263 0.000 1.227 449 I CB 0.789 38.719 38.000 -0.118 0.000 1.366 449 I HN 0.503 nan 8.210 nan 0.000 0.466 450 F N 5.870 125.834 119.950 0.024 0.000 2.388 450 F HA 0.405 4.930 4.527 -0.004 0.000 0.358 450 F C 0.016 175.826 175.800 0.017 0.000 1.122 450 F CA -0.873 57.142 58.000 0.025 0.000 1.056 450 F CB 1.361 40.378 39.000 0.029 0.000 1.155 450 F HN 0.013 nan 8.300 nan 0.000 0.461 451 V N 5.597 125.600 119.914 0.149 0.000 2.311 451 V HA 0.303 4.420 4.120 -0.004 0.000 0.275 451 V C 0.023 176.143 176.094 0.043 0.000 1.022 451 V CA -0.596 61.753 62.300 0.082 0.000 0.830 451 V CB 0.864 32.725 31.823 0.063 0.000 1.012 451 V HN 0.431 nan 8.190 nan 0.000 0.452 452 I N 6.045 126.597 120.570 -0.030 0.000 2.312 452 I HA 0.332 4.500 4.170 -0.004 0.000 0.291 452 I C 0.218 176.240 176.117 -0.157 0.000 1.031 452 I CA -0.332 60.864 61.300 -0.173 0.000 1.293 452 I CB 1.361 39.083 38.000 -0.463 0.000 1.403 452 I HN 0.450 nan 8.210 nan 0.000 0.484 453 M N 5.845 125.380 119.600 -0.107 0.000 2.261 453 M HA 0.154 4.632 4.480 -0.004 0.000 0.349 453 M C 0.130 176.397 176.300 -0.056 0.000 1.305 453 M CA -0.125 55.139 55.300 -0.060 0.000 1.240 453 M CB -0.394 32.203 32.600 -0.005 0.000 1.394 453 M HN 0.352 nan 8.290 nan 0.000 0.438 454 N N 3.804 122.474 118.700 -0.050 0.000 2.678 454 N HA 0.126 4.863 4.740 -0.004 0.000 0.231 454 N C 0.162 175.693 175.510 0.035 0.000 1.038 454 N CA -0.107 52.945 53.050 0.003 0.000 0.932 454 N CB 0.377 38.891 38.487 0.046 0.000 1.176 454 N HN 0.443 nan 8.380 nan 0.000 0.511 455 N N 2.221 120.951 118.700 0.050 0.000 2.230 455 N HA 0.133 4.871 4.740 -0.004 0.000 0.202 455 N C 0.981 176.525 175.510 0.057 0.000 1.119 455 N CA 0.289 53.370 53.050 0.051 0.000 0.851 455 N CB -0.083 38.441 38.487 0.063 0.000 0.990 455 N HN 0.451 nan 8.380 nan 0.000 0.497 456 G N -1.133 107.706 108.800 0.065 0.000 2.166 456 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.260 456 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.260 456 G C -0.033 174.872 174.900 0.009 0.000 0.986 456 G CA 0.897 46.024 45.100 0.045 0.000 0.683 456 G HN 0.803 nan 8.290 nan 0.000 0.527 457 T N -1.774 112.793 114.554 0.021 0.000 2.821 457 T HA 0.506 4.854 4.350 -0.004 0.000 0.306 457 T C -1.156 173.592 174.700 0.080 0.000 1.313 457 T CA -0.581 61.524 62.100 0.009 0.000 1.012 457 T CB 0.827 69.740 68.868 0.074 0.000 1.298 457 T HN 0.317 nan 8.240 nan 0.000 0.502 458 Y N 2.813 123.204 120.300 0.153 0.000 2.530 458 Y HA 0.305 4.853 4.550 -0.004 0.000 0.340 458 Y C 1.666 177.679 175.900 0.190 0.000 1.247 458 Y CA -0.200 58.007 58.100 0.179 0.000 1.727 458 Y CB -0.212 38.357 38.460 0.181 0.000 1.613 458 Y HN 0.837 nan 8.280 nan 0.000 0.464 459 G N 1.552 110.545 108.800 0.322 0.000 2.446 459 G HA2 -0.302 3.655 3.960 -0.004 0.000 0.217 459 G HA3 -0.302 3.655 3.960 -0.004 0.000 0.217 459 G C 1.831 176.917 174.900 0.309 0.000 1.168 459 G CA 0.910 46.170 45.100 0.267 0.000 0.771 459 G HN 0.637 nan 8.290 nan 0.000 0.551 460 A N 0.982 123.995 122.820 0.322 0.000 1.972 460 A HA 0.265 4.582 4.320 -0.004 0.000 0.219 460 A C 2.770 180.668 177.584 0.524 0.000 1.169 460 A CA 2.236 54.501 52.037 0.380 0.000 0.635 460 A CB -0.630 18.585 19.000 0.357 0.000 0.810 460 A HN 0.795 nan 8.150 nan 0.000 0.446 461 A N -0.384 122.684 122.820 0.413 0.000 1.929 461 A HA -0.092 4.226 4.320 -0.004 0.000 0.216 461 A C 2.229 180.025 177.584 0.353 0.000 1.176 461 A CA 1.286 53.542 52.037 0.365 0.000 0.628 461 A CB -0.400 18.749 19.000 0.248 0.000 0.816 461 A HN 0.527 nan 8.150 nan 0.000 0.444 462 R N -2.146 118.546 120.500 0.321 0.000 2.096 462 R HA -0.191 4.147 4.340 -0.004 0.000 0.235 462 R C 1.993 178.441 176.300 0.246 0.000 1.127 462 R CA 1.535 57.784 56.100 0.249 0.000 0.968 462 R CB -0.363 30.067 30.300 0.218 0.000 0.861 462 R HN 0.781 nan 8.270 nan 0.000 0.440 463 W N 0.758 122.129 121.300 0.118 0.000 2.333 463 W HA -0.197 4.461 4.660 -0.004 0.000 0.316 463 W C 1.627 178.137 176.519 -0.015 0.000 1.215 463 W CA 1.433 58.793 57.345 0.024 0.000 1.278 463 W CB -0.534 28.911 29.460 -0.026 0.000 1.154 463 W HN -0.079 nan 8.180 nan 0.000 0.486 464 F N 0.735 120.827 119.950 0.236 0.000 2.161 464 F HA -0.219 4.306 4.527 -0.004 0.000 0.300 464 F C 2.569 178.319 175.800 -0.083 0.000 1.089 464 F CA 2.274 60.282 58.000 0.013 0.000 1.282 464 F CB -1.332 37.762 39.000 0.157 0.000 1.010 464 F HN 0.003 nan 8.300 nan 0.000 0.485 465 A N 0.066 122.989 122.820 0.172 0.000 1.908 465 A HA -0.116 4.202 4.320 -0.004 0.000 0.218 465 A C 2.572 180.145 177.584 -0.017 0.000 1.181 465 A CA 1.883 53.969 52.037 0.082 0.000 0.627 465 A CB -1.604 17.458 19.000 0.103 0.000 0.818 465 A HN 0.416 nan 8.150 nan 0.000 0.445 466 G N -0.225 108.520 108.800 -0.092 0.000 2.421 466 G HA2 -0.137 3.820 3.960 -0.004 0.000 0.216 466 G HA3 -0.137 3.820 3.960 -0.004 0.000 0.216 466 G C 1.651 176.393 174.900 -0.263 0.000 1.171 466 G CA 1.989 46.985 45.100 -0.173 0.000 0.775 466 G HN 1.068 nan 8.290 nan 0.000 0.543 467 V N -0.964 118.672 119.914 -0.462 0.000 2.515 467 V HA 0.104 4.222 4.120 -0.004 0.000 0.250 467 V C 2.448 178.417 176.094 -0.207 0.000 1.058 467 V CA 1.408 63.431 62.300 -0.461 0.000 1.064 467 V CB -0.380 30.947 31.823 -0.826 0.000 0.675 467 V HN 0.278 nan 8.190 nan 0.000 0.461 468 L N 0.047 121.208 121.223 -0.103 0.000 2.592 468 L HA 0.281 4.619 4.340 -0.004 0.000 0.227 468 L C 1.057 177.915 176.870 -0.019 0.000 1.127 468 L CA 0.435 55.267 54.840 -0.013 0.000 0.884 468 L CB -0.618 41.474 42.059 0.056 0.000 1.065 468 L HN 0.445 nan 8.230 nan 0.000 0.457 469 E N -0.471 119.702 120.200 -0.045 0.000 2.389 469 E HA -0.222 4.126 4.350 -0.004 0.000 0.243 469 E C 0.194 176.790 176.600 -0.007 0.000 1.154 469 E CA 0.300 56.681 56.400 -0.031 0.000 0.723 469 E CB -1.229 28.454 29.700 -0.029 0.000 1.261 469 E HN 0.457 nan 8.360 nan 0.000 0.390 470 A N 1.700 124.522 122.820 0.005 0.000 2.280 470 A HA 0.399 4.716 4.320 -0.004 0.000 0.320 470 A C 0.115 177.714 177.584 0.025 0.000 1.366 470 A CA -0.355 51.694 52.037 0.021 0.000 0.938 470 A CB 0.490 19.513 19.000 0.037 0.000 1.157 470 A HN 0.223 nan 8.150 nan 0.000 0.536 471 E N 1.768 121.980 120.200 0.021 0.000 2.248 471 E HA 0.328 4.676 4.350 -0.004 0.000 0.272 471 E C -0.329 176.288 176.600 0.029 0.000 1.008 471 E CA -0.946 55.469 56.400 0.024 0.000 0.856 471 E CB 0.677 30.387 29.700 0.016 0.000 1.120 471 E HN 0.656 nan 8.360 nan 0.000 0.397 472 N N -0.042 118.677 118.700 0.033 0.000 2.758 472 N HA -0.149 4.589 4.740 -0.004 0.000 0.248 472 N C -1.157 174.377 175.510 0.040 0.000 1.076 472 N CA 0.382 53.453 53.050 0.034 0.000 0.696 472 N CB -1.272 37.230 38.487 0.026 0.000 0.979 472 N HN 0.123 nan 8.380 nan 0.000 0.550 473 V N 1.792 121.737 119.914 0.051 0.000 2.406 473 V HA 0.358 4.476 4.120 -0.004 0.000 0.272 473 V C -0.982 175.154 176.094 0.071 0.000 1.043 473 V CA -0.875 61.462 62.300 0.062 0.000 0.915 473 V CB 1.285 33.153 31.823 0.075 0.000 0.988 473 V HN 0.130 nan 8.190 nan 0.000 0.466 474 P HA 0.476 nan 4.420 nan 0.000 0.280 474 P C 0.569 177.930 177.300 0.102 0.000 1.272 474 P CA 0.123 63.267 63.100 0.073 0.000 0.819 474 P CB 1.295 33.029 31.700 0.057 0.000 1.122 475 G N -0.125 108.740 108.800 0.109 0.000 2.143 475 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.248 475 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.248 475 G C 0.503 175.558 174.900 0.258 0.000 0.991 475 G CA 0.287 45.481 45.100 0.157 0.000 0.689 475 G HN 0.473 nan 8.290 nan 0.000 0.522 476 L N -0.563 120.787 121.223 0.211 0.000 2.529 476 L HA 0.274 4.612 4.340 -0.004 0.000 0.223 476 L C 0.236 177.184 176.870 0.130 0.000 1.113 476 L CA 0.181 55.194 54.840 0.289 0.000 0.861 476 L CB 0.036 42.229 42.059 0.224 0.000 1.012 476 L HN 0.082 nan 8.230 nan 0.000 0.461 477 D N 0.465 120.879 120.400 0.023 0.000 2.192 477 D HA 0.312 4.950 4.640 -0.004 0.000 0.246 477 D C 0.009 176.218 176.300 -0.150 0.000 1.042 477 D CA -0.069 53.897 54.000 -0.057 0.000 0.847 477 D CB 2.865 43.663 40.800 -0.003 0.000 1.186 477 D HN -0.197 nan 8.370 nan 0.000 0.461 478 V N -0.369 119.428 119.914 -0.195 0.000 2.454 478 V HA 0.379 4.497 4.120 -0.004 0.000 0.255 478 V C -2.513 173.534 176.094 -0.079 0.000 1.009 478 V CA -1.518 60.671 62.300 -0.184 0.000 1.149 478 V CB 0.347 31.982 31.823 -0.312 0.000 1.418 478 V HN 0.294 nan 8.190 nan 0.000 0.567 479 P HA 0.387 nan 4.420 nan 0.000 0.272 479 P C 0.855 178.130 177.300 -0.042 0.000 1.230 479 P CA 1.247 64.331 63.100 -0.027 0.000 0.788 479 P CB 1.275 32.964 31.700 -0.019 0.000 0.949 480 G N 0.974 109.751 108.800 -0.038 0.000 2.171 480 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.238 480 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.238 480 G C -0.227 174.606 174.900 -0.112 0.000 1.039 480 G CA -0.295 44.769 45.100 -0.059 0.000 0.759 480 G HN 0.478 nan 8.290 nan 0.000 0.501 481 I N 0.628 121.105 120.570 -0.156 0.000 2.362 481 I HA 0.330 4.498 4.170 -0.004 0.000 0.289 481 I C -0.544 175.339 176.117 -0.390 0.000 0.994 481 I CA -0.820 60.264 61.300 -0.360 0.000 1.158 481 I CB 1.751 39.401 38.000 -0.584 0.000 1.315 481 I HN 0.048 nan 8.210 nan 0.000 0.451 482 D N 6.136 126.332 120.400 -0.339 0.000 2.443 482 D HA 0.219 4.857 4.640 -0.004 0.000 0.221 482 D C 0.480 176.641 176.300 -0.232 0.000 1.097 482 D CA -0.261 53.625 54.000 -0.190 0.000 0.865 482 D CB 0.575 41.317 40.800 -0.096 0.000 1.034 482 D HN 0.289 nan 8.370 nan 0.000 0.511 483 F N 2.032 121.990 119.950 0.014 0.000 2.325 483 F HA 0.066 4.591 4.527 -0.004 0.000 0.299 483 F C 2.284 178.097 175.800 0.022 0.000 1.090 483 F CA 0.467 58.480 58.000 0.022 0.000 1.392 483 F CB 0.039 39.059 39.000 0.034 0.000 1.053 483 F HN 0.257 nan 8.300 nan 0.000 0.521 484 R N 0.054 120.654 120.500 0.167 0.000 2.115 484 R HA -0.030 4.307 4.340 -0.004 0.000 0.226 484 R C 2.444 178.776 176.300 0.052 0.000 1.100 484 R CA 1.013 57.175 56.100 0.103 0.000 0.980 484 R CB -0.603 29.745 30.300 0.081 0.000 0.875 484 R HN 0.250 nan 8.270 nan 0.000 0.445 485 A N 1.227 124.055 122.820 0.014 0.000 1.873 485 A HA -0.102 4.216 4.320 -0.004 0.000 0.215 485 A C 2.128 179.690 177.584 -0.036 0.000 1.186 485 A CA 1.056 53.079 52.037 -0.023 0.000 0.616 485 A CB -0.526 18.442 19.000 -0.054 0.000 0.823 485 A HN 0.159 nan 8.150 nan 0.000 0.442 486 L N -0.737 120.467 121.223 -0.031 0.000 2.042 486 L HA -0.224 4.114 4.340 -0.004 0.000 0.210 486 L C 3.103 180.011 176.870 0.063 0.000 1.076 486 L CA 1.174 56.008 54.840 -0.009 0.000 0.749 486 L CB -0.640 41.435 42.059 0.027 0.000 0.893 486 L HN 0.457 nan 8.230 nan 0.000 0.432 487 A N 0.089 122.965 122.820 0.094 0.000 1.902 487 A HA -0.247 4.071 4.320 -0.004 0.000 0.217 487 A C 2.406 180.040 177.584 0.082 0.000 1.181 487 A CA 1.902 54.002 52.037 0.106 0.000 0.623 487 A CB -0.437 18.622 19.000 0.098 0.000 0.818 487 A HN 0.331 nan 8.150 nan 0.000 0.443 488 K N -0.552 119.873 120.400 0.042 0.000 2.032 488 K HA -0.136 4.182 4.320 -0.004 0.000 0.209 488 K C 2.061 178.654 176.600 -0.011 0.000 1.048 488 K CA 1.537 57.836 56.287 0.019 0.000 0.927 488 K CB -0.671 31.830 32.500 0.001 0.000 0.712 488 K HN 0.368 nan 8.250 nan 0.000 0.441 489 G N -0.121 108.630 108.800 -0.082 0.000 2.547 489 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.221 489 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.221 489 G C 0.827 175.570 174.900 -0.261 0.000 1.140 489 G CA 1.242 46.199 45.100 -0.239 0.000 0.760 489 G HN 0.402 nan 8.290 nan 0.000 0.583 490 Y N 0.027 120.384 120.300 0.095 0.000 2.507 490 Y HA 0.414 4.961 4.550 -0.004 0.000 0.254 490 Y C 1.818 177.794 175.900 0.127 0.000 1.171 490 Y CA -0.597 57.611 58.100 0.180 0.000 1.238 490 Y CB 0.407 38.976 38.460 0.181 0.000 1.148 490 Y HN 0.318 nan 8.280 nan 0.000 0.525 491 G N 0.391 109.294 108.800 0.173 0.000 2.149 491 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.235 491 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.235 491 G C -0.530 174.409 174.900 0.064 0.000 1.018 491 G CA 0.133 45.287 45.100 0.090 0.000 0.728 491 G HN 0.100 nan 8.290 nan 0.000 0.508 492 V N 1.006 120.971 119.914 0.086 0.000 2.398 492 V HA 0.421 4.539 4.120 -0.004 0.000 0.286 492 V C 0.872 177.012 176.094 0.076 0.000 1.026 492 V CA -0.641 61.707 62.300 0.080 0.000 0.868 492 V CB 1.807 33.680 31.823 0.083 0.000 0.982 492 V HN 0.525 nan 8.190 nan 0.000 0.443 493 Q N 2.890 122.733 119.800 0.071 0.000 2.315 493 Q HA 0.380 4.718 4.340 -0.004 0.000 0.289 493 Q C -0.209 175.839 176.000 0.079 0.000 1.044 493 Q CA 0.140 55.981 55.803 0.064 0.000 0.920 493 Q CB 0.780 29.551 28.738 0.055 0.000 1.214 493 Q HN 0.927 nan 8.270 nan 0.000 0.392 494 A N 5.098 127.959 122.820 0.069 0.000 2.371 494 A HA 0.726 5.043 4.320 -0.004 0.000 0.311 494 A C -1.318 176.305 177.584 0.066 0.000 1.068 494 A CA -0.712 51.373 52.037 0.079 0.000 0.744 494 A CB 1.071 20.120 19.000 0.081 0.000 1.239 494 A HN 0.748 nan 8.150 nan 0.000 0.435 495 L N 0.676 121.940 121.223 0.069 0.000 2.309 495 L HA 0.724 5.061 4.340 -0.004 0.000 0.261 495 L C -0.288 176.615 176.870 0.055 0.000 1.021 495 L CA -1.072 53.801 54.840 0.054 0.000 0.823 495 L CB 2.295 44.383 42.059 0.048 0.000 1.366 495 L HN 0.702 nan 8.230 nan 0.000 0.423 496 K N 0.952 121.378 120.400 0.044 0.000 2.316 496 K HA 0.815 5.133 4.320 -0.004 0.000 0.251 496 K C -1.367 175.250 176.600 0.028 0.000 0.934 496 K CA -0.317 55.994 56.287 0.040 0.000 0.802 496 K CB 2.151 34.674 32.500 0.039 0.000 1.171 496 K HN 0.610 nan 8.250 nan 0.000 0.426 497 A N 3.629 126.462 122.820 0.021 0.000 2.605 497 A HA 0.334 4.652 4.320 -0.004 0.000 0.293 497 A C -0.869 176.717 177.584 0.004 0.000 1.216 497 A CA -0.605 51.438 52.037 0.010 0.000 0.742 497 A CB 0.421 19.423 19.000 0.003 0.000 1.170 497 A HN 0.796 nan 8.150 nan 0.000 0.443 498 D N 0.890 121.293 120.400 0.005 0.000 2.350 498 D HA 0.080 4.718 4.640 -0.004 0.000 0.213 498 D C 0.358 176.653 176.300 -0.009 0.000 1.031 498 D CA 1.090 55.090 54.000 0.000 0.000 0.861 498 D CB 0.353 41.157 40.800 0.006 0.000 0.926 498 D HN 0.810 nan 8.370 nan 0.000 0.520 499 N N -1.537 117.158 118.700 -0.007 0.000 3.020 499 N HA 0.077 4.814 4.740 -0.004 0.000 0.248 499 N C 0.205 175.711 175.510 -0.005 0.000 1.480 499 N CA -0.744 52.301 53.050 -0.009 0.000 0.874 499 N CB 1.001 39.486 38.487 -0.002 0.000 1.433 499 N HN -0.221 nan 8.380 nan 0.000 0.530 500 L N -0.136 121.086 121.223 -0.001 0.000 2.042 500 L HA 0.064 4.401 4.340 -0.004 0.000 0.210 500 L C 1.659 178.533 176.870 0.006 0.000 1.076 500 L CA 1.997 56.839 54.840 0.003 0.000 0.749 500 L CB -0.897 41.169 42.059 0.012 0.000 0.893 500 L HN 0.668 nan 8.230 nan 0.000 0.432 501 E N -0.410 119.795 120.200 0.008 0.000 2.106 501 E HA -0.212 4.135 4.350 -0.004 0.000 0.192 501 E C 2.177 178.782 176.600 0.009 0.000 0.984 501 E CA 1.199 57.605 56.400 0.010 0.000 0.806 501 E CB -0.187 29.519 29.700 0.010 0.000 0.750 501 E HN 0.684 nan 8.360 nan 0.000 0.458 502 Q N 0.219 120.024 119.800 0.008 0.000 2.084 502 Q HA -0.150 4.188 4.340 -0.004 0.000 0.202 502 Q C 2.310 178.316 176.000 0.009 0.000 0.978 502 Q CA 0.889 56.697 55.803 0.009 0.000 0.844 502 Q CB -0.218 28.526 28.738 0.009 0.000 0.898 502 Q HN 0.126 nan 8.270 nan 0.000 0.426 503 L N 1.499 122.724 121.223 0.004 0.000 2.013 503 L HA -0.242 4.096 4.340 -0.004 0.000 0.212 503 L C 1.887 178.762 176.870 0.009 0.000 1.073 503 L CA 1.934 56.775 54.840 0.002 0.000 0.753 503 L CB -0.313 41.740 42.059 -0.009 0.000 0.890 503 L HN 0.021 nan 8.230 nan 0.000 0.432 504 K N -0.770 119.636 120.400 0.010 0.000 2.057 504 K HA -0.087 4.231 4.320 -0.004 0.000 0.207 504 K C 2.012 178.621 176.600 0.015 0.000 1.049 504 K CA 1.189 57.484 56.287 0.014 0.000 0.931 504 K CB -0.708 31.801 32.500 0.014 0.000 0.714 504 K HN 0.576 nan 8.250 nan 0.000 0.440 505 G N 0.815 109.624 108.800 0.014 0.000 2.433 505 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.216 505 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.216 505 G C 1.596 176.506 174.900 0.017 0.000 1.186 505 G CA 0.897 46.006 45.100 0.015 0.000 0.779 505 G HN 0.179 nan 8.290 nan 0.000 0.543 506 S N 0.444 116.155 115.700 0.018 0.000 2.365 506 S HA -0.075 4.393 4.470 -0.004 0.000 0.225 506 S C 2.343 176.957 174.600 0.024 0.000 1.039 506 S CA 1.086 59.300 58.200 0.023 0.000 1.033 506 S CB -0.314 62.901 63.200 0.024 0.000 0.887 506 S HN 0.306 nan 8.310 nan 0.000 0.447 507 L N 1.212 122.448 121.223 0.022 0.000 2.017 507 L HA -0.210 4.127 4.340 -0.004 0.000 0.208 507 L C 2.850 179.732 176.870 0.019 0.000 1.073 507 L CA 1.693 56.547 54.840 0.023 0.000 0.745 507 L CB -0.565 41.510 42.059 0.027 0.000 0.894 507 L HN 0.416 nan 8.230 nan 0.000 0.432 508 Q N 0.275 120.086 119.800 0.018 0.000 2.061 508 Q HA -0.312 4.026 4.340 -0.004 0.000 0.204 508 Q C 2.092 178.099 176.000 0.013 0.000 0.984 508 Q CA 2.229 58.041 55.803 0.014 0.000 0.846 508 Q CB -0.113 28.633 28.738 0.013 0.000 0.902 508 Q HN 0.489 nan 8.270 nan 0.000 0.421 509 E N -0.405 119.805 120.200 0.016 0.000 2.058 509 E HA -0.234 4.113 4.350 -0.004 0.000 0.194 509 E C 1.884 178.494 176.600 0.018 0.000 0.997 509 E CA 1.235 57.645 56.400 0.017 0.000 0.801 509 E CB -0.252 29.460 29.700 0.020 0.000 0.746 509 E HN 0.514 nan 8.360 nan 0.000 0.450 510 A N 0.717 123.549 122.820 0.021 0.000 1.940 510 A HA -0.166 4.151 4.320 -0.004 0.000 0.219 510 A C 2.185 179.773 177.584 0.007 0.000 1.176 510 A CA 1.220 53.270 52.037 0.021 0.000 0.631 510 A CB -0.642 18.373 19.000 0.026 0.000 0.814 510 A HN 0.309 nan 8.150 nan 0.000 0.446 511 L N -0.379 120.846 121.223 0.003 0.000 2.093 511 L HA -0.129 4.209 4.340 -0.004 0.000 0.208 511 L C 2.591 179.458 176.870 -0.006 0.000 1.085 511 L CA 1.431 56.266 54.840 -0.007 0.000 0.755 511 L CB -0.257 41.800 42.059 -0.005 0.000 0.904 511 L HN 0.313 nan 8.230 nan 0.000 0.435 512 S N -0.301 115.400 115.700 0.001 0.000 2.489 512 S HA 0.140 4.607 4.470 -0.004 0.000 0.228 512 S C 1.036 175.638 174.600 0.003 0.000 0.995 512 S CA 0.276 58.477 58.200 0.002 0.000 0.934 512 S CB -0.221 62.982 63.200 0.005 0.000 0.771 512 S HN 0.367 nan 8.310 nan 0.000 0.522 513 A N 1.903 124.727 122.820 0.006 0.000 2.445 513 A HA 0.301 4.619 4.320 -0.004 0.000 0.242 513 A C 1.086 178.674 177.584 0.007 0.000 1.075 513 A CA -0.209 51.834 52.037 0.010 0.000 0.777 513 A CB 0.360 19.372 19.000 0.020 0.000 1.013 513 A HN 0.080 nan 8.150 nan 0.000 0.493 514 K N 1.605 122.009 120.400 0.008 0.000 2.379 514 K HA 0.107 4.425 4.320 -0.004 0.000 0.194 514 K C 0.970 177.576 176.600 0.010 0.000 1.031 514 K CA 0.935 57.225 56.287 0.005 0.000 1.037 514 K CB 0.195 32.697 32.500 0.003 0.000 0.824 514 K HN 0.739 nan 8.250 nan 0.000 0.516 515 G N 2.376 111.186 108.800 0.017 0.000 2.667 515 G HA2 0.414 4.372 3.960 -0.004 0.000 0.310 515 G HA3 0.414 4.372 3.960 -0.004 0.000 0.310 515 G C -2.833 172.096 174.900 0.048 0.000 1.259 515 G CA -1.422 43.694 45.100 0.028 0.000 1.019 515 G HN -0.184 nan 8.290 nan 0.000 0.496 516 P HA 0.310 nan 4.420 nan 0.000 0.271 516 P C -0.746 176.650 177.300 0.161 0.000 1.216 516 P CA -0.129 63.062 63.100 0.151 0.000 0.776 516 P CB 1.544 33.399 31.700 0.258 0.000 0.881 517 V N 4.201 124.227 119.914 0.186 0.000 2.638 517 V HA 0.368 4.485 4.120 -0.004 0.000 0.306 517 V C 0.066 176.314 176.094 0.256 0.000 1.052 517 V CA -0.811 61.589 62.300 0.166 0.000 0.885 517 V CB 2.098 33.977 31.823 0.093 0.000 0.999 517 V HN 0.454 nan 8.190 nan 0.000 0.424 518 L N 5.710 127.064 121.223 0.219 0.000 2.307 518 L HA 0.682 5.020 4.340 -0.004 0.000 0.284 518 L C -0.957 175.996 176.870 0.137 0.000 1.023 518 L CA -0.305 54.667 54.840 0.220 0.000 0.810 518 L CB 1.161 43.314 42.059 0.157 0.000 1.231 518 L HN 0.591 nan 8.230 nan 0.000 0.423 519 I N 4.821 125.460 120.570 0.116 0.000 2.382 519 I HA 0.287 4.454 4.170 -0.004 0.000 0.285 519 I C -0.207 175.938 176.117 0.046 0.000 1.007 519 I CA -0.422 60.921 61.300 0.072 0.000 1.142 519 I CB 1.644 39.676 38.000 0.053 0.000 1.289 519 I HN 0.618 nan 8.210 nan 0.000 0.453 520 E N 6.399 126.629 120.200 0.051 0.000 2.105 520 E HA 0.293 4.641 4.350 -0.004 0.000 0.285 520 E C -1.139 175.470 176.600 0.016 0.000 1.055 520 E CA -0.438 55.980 56.400 0.029 0.000 0.843 520 E CB 1.099 30.867 29.700 0.113 0.000 1.067 520 E HN 0.347 nan 8.360 nan 0.000 0.398 521 V N 3.908 123.811 119.914 -0.018 0.000 2.407 521 V HA 0.118 4.236 4.120 -0.004 0.000 0.278 521 V C 0.091 176.173 176.094 -0.020 0.000 1.037 521 V CA -0.595 61.691 62.300 -0.023 0.000 0.900 521 V CB 1.659 33.453 31.823 -0.049 0.000 0.983 521 V HN 0.603 nan 8.190 nan 0.000 0.459 522 S N 3.900 119.593 115.700 -0.011 0.000 2.405 522 S HA 0.355 4.822 4.470 -0.004 0.000 0.291 522 S C 0.487 175.066 174.600 -0.036 0.000 1.137 522 S CA -0.486 57.708 58.200 -0.009 0.000 1.061 522 S CB 0.284 63.483 63.200 -0.002 0.000 1.001 522 S HN 0.975 nan 8.310 nan 0.000 0.507 523 T N -0.427 114.106 114.554 -0.035 0.000 2.945 523 T HA 0.637 4.984 4.350 -0.004 0.000 0.286 523 T C 0.355 175.023 174.700 -0.054 0.000 1.025 523 T CA -1.018 61.049 62.100 -0.055 0.000 1.039 523 T CB 0.970 69.813 68.868 -0.041 0.000 1.068 523 T HN 0.380 nan 8.240 nan 0.000 0.497 524 V N 0.608 120.465 119.914 -0.095 0.000 2.715 524 V HA 0.542 4.660 4.120 -0.004 0.000 0.299 524 V C 0.548 176.642 176.094 0.001 0.000 1.054 524 V CA -0.546 61.701 62.300 -0.087 0.000 1.077 524 V CB 0.365 32.068 31.823 -0.200 0.000 0.972 524 V HN 1.184 nan 8.190 nan 0.000 0.484 525 S N 4.940 120.652 115.700 0.019 0.000 2.562 525 S HA 0.522 4.989 4.470 -0.004 0.000 0.275 525 S C -0.800 173.845 174.600 0.074 0.000 1.281 525 S CA -0.705 57.527 58.200 0.053 0.000 1.045 525 S CB 1.157 64.386 63.200 0.048 0.000 0.962 525 S HN 0.898 nan 8.310 nan 0.000 0.503 526 P HA 0.131 nan 4.420 nan 0.000 0.245 526 P C 0.301 177.660 177.300 0.099 0.000 1.212 526 P CA -0.002 63.165 63.100 0.112 0.000 0.774 526 P CB -0.142 31.643 31.700 0.141 0.000 0.999 527 V N 0.000 119.965 119.914 0.085 0.000 2.409 527 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 527 V CA 0.000 62.344 62.300 0.073 0.000 1.235 527 V CB 0.000 31.862 31.823 0.066 0.000 1.184 527 V HN 0.000 nan 8.190 nan 0.000 0.556