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 2o7f_1_G DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.019 0.000 0.988 8 K CA 0.000 56.299 56.287 0.021 0.000 0.838 8 K CB 0.000 32.514 32.500 0.023 0.000 1.064 9 P HA 0.158 nan 4.420 nan 0.000 0.269 9 P C -1.489 175.820 177.300 0.015 0.000 1.211 9 P CA -0.345 62.767 63.100 0.019 0.000 0.781 9 P CB 0.775 32.489 31.700 0.024 0.000 0.877 10 A N 1.601 124.428 122.820 0.012 0.000 2.356 10 A HA 0.533 4.853 4.320 -0.000 0.000 0.310 10 A C -0.924 176.663 177.584 0.005 0.000 1.075 10 A CA -0.600 51.441 52.037 0.007 0.000 0.746 10 A CB 1.183 20.186 19.000 0.005 0.000 1.221 10 A HN 0.329 nan 8.150 nan 0.000 0.443 11 V N 2.574 122.488 119.914 0.000 0.000 2.350 11 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 11 V C 0.336 176.427 176.094 -0.005 0.000 1.028 11 V CA -0.286 62.013 62.300 -0.002 0.000 0.860 11 V CB 1.144 32.961 31.823 -0.010 0.000 0.990 11 V HN 0.955 nan 8.190 nan 0.000 0.453 12 E N 4.684 124.884 120.200 -0.000 0.000 2.089 12 E HA 0.350 4.700 4.350 -0.000 0.000 0.284 12 E C -0.876 175.723 176.600 -0.002 0.000 1.023 12 E CA -0.777 55.623 56.400 -0.001 0.000 0.819 12 E CB 1.204 30.906 29.700 0.004 0.000 1.076 12 E HN 0.564 nan 8.360 nan 0.000 0.396 13 L N 5.345 126.563 121.223 -0.008 0.000 2.265 13 L HA 0.292 4.632 4.340 -0.000 0.000 0.288 13 L C -0.238 176.630 176.870 -0.002 0.000 1.058 13 L CA 0.484 55.318 54.840 -0.010 0.000 0.809 13 L CB 1.235 43.282 42.059 -0.021 0.000 1.179 13 L HN 0.726 nan 8.230 nan 0.000 0.429 14 D N 2.834 123.238 120.400 0.007 0.000 3.013 14 D HA 0.206 4.846 4.640 -0.000 0.000 0.235 14 D C 1.319 177.629 176.300 0.017 0.000 1.540 14 D CA 0.724 54.731 54.000 0.012 0.000 1.303 14 D CB 0.694 41.506 40.800 0.019 0.000 0.980 14 D HN 0.575 nan 8.370 nan 0.000 0.250 15 R N -1.808 118.713 120.500 0.036 0.000 2.276 15 R HA 0.212 4.552 4.340 -0.000 0.000 0.195 15 R C 0.086 176.436 176.300 0.083 0.000 0.908 15 R CA -0.116 56.013 56.100 0.048 0.000 1.083 15 R CB 0.656 30.986 30.300 0.050 0.000 1.182 15 R HN 0.232 nan 8.270 nan 0.000 0.608 16 H N 0.005 119.068 119.070 -0.012 0.000 2.572 16 H HA 0.543 5.099 4.556 -0.000 0.000 0.359 16 H C -1.503 173.819 175.328 -0.011 0.000 1.134 16 H CA -0.685 55.355 56.048 -0.014 0.000 1.187 16 H CB 1.534 31.288 29.762 -0.013 0.000 1.597 16 H HN -0.013 nan 8.280 nan 0.000 0.524 17 I N 4.287 124.535 120.570 -0.538 0.000 2.619 17 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 17 I C -1.200 174.644 176.117 -0.455 0.000 1.100 17 I CA -0.863 60.247 61.300 -0.317 0.000 1.043 17 I CB 1.524 39.419 38.000 -0.176 0.000 1.239 17 I HN 0.843 nan 8.210 nan 0.000 0.420 18 D N 6.089 126.376 120.400 -0.188 0.000 2.387 18 D HA 0.215 4.855 4.640 -0.000 0.000 0.251 18 D C 1.040 177.309 176.300 -0.052 0.000 1.141 18 D CA -0.571 53.375 54.000 -0.089 0.000 0.987 18 D CB 0.994 41.820 40.800 0.044 0.000 1.116 18 D HN 0.509 nan 8.370 nan 0.000 0.491 19 L N -0.332 120.884 121.223 -0.011 0.000 2.079 19 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 19 L C 1.519 178.426 176.870 0.061 0.000 1.081 19 L CA 1.481 56.334 54.840 0.023 0.000 0.752 19 L CB -0.486 41.598 42.059 0.043 0.000 0.896 19 L HN 0.459 nan 8.230 nan 0.000 0.433 20 D N -0.264 120.173 120.400 0.061 0.000 2.117 20 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 20 D C 2.330 178.673 176.300 0.071 0.000 0.982 20 D CA 1.087 55.140 54.000 0.089 0.000 0.828 20 D CB -0.126 40.718 40.800 0.073 0.000 0.967 20 D HN 0.426 nan 8.370 nan 0.000 0.464 21 Q N 0.477 120.298 119.800 0.034 0.000 2.084 21 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 21 Q C 2.259 178.257 176.000 -0.005 0.000 0.978 21 Q CA 1.365 57.176 55.803 0.013 0.000 0.844 21 Q CB -0.129 28.605 28.738 -0.006 0.000 0.898 21 Q HN 0.199 nan 8.270 nan 0.000 0.426 22 A N 1.017 123.829 122.820 -0.013 0.000 1.883 22 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 22 A C 1.976 179.538 177.584 -0.036 0.000 1.186 22 A CA 1.710 53.727 52.037 -0.034 0.000 0.624 22 A CB -0.880 18.100 19.000 -0.035 0.000 0.822 22 A HN 0.453 nan 8.150 nan 0.000 0.444 23 H N -0.079 118.939 119.070 -0.087 0.000 2.423 23 H HA 0.032 4.588 4.556 -0.000 0.000 0.297 23 H C 2.257 177.500 175.328 -0.143 0.000 1.075 23 H CA 1.418 57.375 56.048 -0.152 0.000 1.342 23 H CB -0.157 29.427 29.762 -0.296 0.000 1.395 23 H HN 0.414 nan 8.280 nan 0.000 0.530 24 A N 0.474 123.291 122.820 -0.006 0.000 1.877 24 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 24 A C 2.845 180.389 177.584 -0.066 0.000 1.186 24 A CA 1.695 53.729 52.037 -0.004 0.000 0.620 24 A CB -0.899 18.120 19.000 0.033 0.000 0.822 24 A HN 0.283 nan 8.150 nan 0.000 0.443 25 V N -0.225 119.640 119.914 -0.081 0.000 2.307 25 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 25 V C 3.076 179.072 176.094 -0.164 0.000 1.045 25 V CA 1.883 64.127 62.300 -0.093 0.000 1.024 25 V CB -1.286 30.487 31.823 -0.083 0.000 0.651 25 V HN 0.614 nan 8.190 nan 0.000 0.449 26 A N 0.835 123.516 122.820 -0.232 0.000 1.908 26 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 26 A C 2.387 179.738 177.584 -0.389 0.000 1.181 26 A CA 2.367 54.208 52.037 -0.328 0.000 0.627 26 A CB -0.721 18.087 19.000 -0.320 0.000 0.818 26 A HN 0.706 nan 8.150 nan 0.000 0.445 27 S N -1.933 113.562 115.700 -0.342 0.000 2.603 27 S HA 0.371 4.841 4.470 -0.000 0.000 0.220 27 S C 1.379 176.106 174.600 0.212 0.000 0.967 27 S CA 1.016 59.174 58.200 -0.069 0.000 0.920 27 S CB -0.362 62.720 63.200 -0.196 0.000 0.773 27 S HN 1.966 nan 8.310 nan 0.000 0.529 28 G N 0.397 109.243 108.800 0.077 0.000 2.148 28 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 28 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 28 G C 0.814 175.783 174.900 0.115 0.000 0.981 28 G CA 0.125 45.331 45.100 0.177 0.000 0.670 28 G HN 0.957 nan 8.290 nan 0.000 0.528 29 G N -0.565 108.277 108.800 0.069 0.000 2.572 29 G HA2 0.576 4.535 3.960 -0.000 0.000 0.216 29 G HA3 0.576 4.535 3.960 -0.000 0.000 0.216 29 G C 0.648 175.574 174.900 0.044 0.000 1.133 29 G CA 1.677 46.815 45.100 0.063 0.000 0.791 29 G HN 1.808 nan 8.290 nan 0.000 0.538 30 A N -0.410 122.425 122.820 0.026 0.000 2.539 30 A HA 0.799 5.119 4.320 -0.000 0.000 0.296 30 A C -0.289 177.299 177.584 0.006 0.000 1.073 30 A CA -0.841 51.206 52.037 0.017 0.000 0.700 30 A CB 1.541 20.548 19.000 0.011 0.000 1.296 30 A HN 0.200 nan 8.150 nan 0.000 0.405 31 R N 0.010 120.515 120.500 0.007 0.000 2.543 31 R HA 0.661 5.001 4.340 -0.000 0.000 0.268 31 R C -0.781 175.514 176.300 -0.008 0.000 1.067 31 R CA -0.416 55.684 56.100 0.001 0.000 1.142 31 R CB 1.289 31.592 30.300 0.005 0.000 1.110 31 R HN 0.678 nan 8.270 nan 0.000 0.549 32 I N 0.985 121.547 120.570 -0.014 0.000 2.509 32 I HA 0.386 4.556 4.170 -0.000 0.000 0.293 32 I C -1.315 174.794 176.117 -0.014 0.000 1.020 32 I CA -0.925 60.364 61.300 -0.018 0.000 1.088 32 I CB 1.853 39.835 38.000 -0.030 0.000 1.267 32 I HN 0.208 nan 8.210 nan 0.000 0.430 33 V N 7.258 127.165 119.914 -0.012 0.000 2.735 33 V HA 0.396 4.516 4.120 -0.000 0.000 0.310 33 V C -0.628 175.460 176.094 -0.010 0.000 1.061 33 V CA -0.772 61.523 62.300 -0.009 0.000 0.913 33 V CB 1.906 33.726 31.823 -0.005 0.000 1.005 33 V HN 0.512 nan 8.190 nan 0.000 0.428 34 L N 3.925 125.142 121.223 -0.010 0.000 2.265 34 L HA 0.738 5.078 4.340 -0.000 0.000 0.288 34 L C 0.683 177.549 176.870 -0.006 0.000 1.058 34 L CA 0.274 55.108 54.840 -0.010 0.000 0.809 34 L CB 0.890 42.941 42.059 -0.012 0.000 1.179 34 L HN 0.871 nan 8.230 nan 0.000 0.429 35 A N 6.856 129.674 122.820 -0.004 0.000 2.425 35 A HA 0.394 4.714 4.320 -0.000 0.000 0.242 35 A C -1.602 175.981 177.584 -0.002 0.000 1.077 35 A CA -0.803 51.233 52.037 -0.001 0.000 0.781 35 A CB -0.352 18.649 19.000 0.002 0.000 1.020 35 A HN 0.783 nan 8.150 nan 0.000 0.494 36 P HA -0.195 nan 4.420 nan 0.000 0.217 36 P C -1.291 176.008 177.300 -0.002 0.000 1.162 36 P CA 2.277 65.376 63.100 -0.002 0.000 0.901 36 P CB -0.774 30.925 31.700 -0.001 0.000 0.793 37 P HA -0.154 nan 4.420 nan 0.000 0.218 37 P C 1.280 178.581 177.300 0.000 0.000 1.149 37 P CA 1.964 65.065 63.100 0.001 0.000 0.817 37 P CB -0.438 31.264 31.700 0.003 0.000 0.785 38 A N 0.743 123.563 122.820 -0.000 0.000 1.873 38 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 38 A C 2.572 180.152 177.584 -0.005 0.000 1.186 38 A CA 1.390 53.426 52.037 -0.001 0.000 0.616 38 A CB -1.307 17.692 19.000 -0.002 0.000 0.823 38 A HN 0.037 nan 8.150 nan 0.000 0.442 39 R N -0.230 120.265 120.500 -0.007 0.000 2.091 39 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 39 R C 1.282 177.575 176.300 -0.012 0.000 1.136 39 R CA 2.045 58.138 56.100 -0.012 0.000 0.959 39 R CB -0.412 29.881 30.300 -0.011 0.000 0.856 39 R HN 0.468 nan 8.270 nan 0.000 0.437 40 D N -0.018 120.377 120.400 -0.008 0.000 2.117 40 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 40 D C 2.073 178.368 176.300 -0.007 0.000 0.982 40 D CA 0.980 54.975 54.000 -0.008 0.000 0.828 40 D CB -0.188 40.609 40.800 -0.005 0.000 0.967 40 D HN 0.289 nan 8.370 nan 0.000 0.464 41 R N 0.133 120.631 120.500 -0.003 0.000 2.096 41 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 41 R C 2.480 178.779 176.300 -0.001 0.000 1.127 41 R CA 0.967 57.067 56.100 0.001 0.000 0.968 41 R CB -0.464 29.839 30.300 0.006 0.000 0.861 41 R HN 0.229 nan 8.270 nan 0.000 0.440 42 C N -0.109 119.187 119.300 -0.007 0.000 2.440 42 C HA -0.012 4.448 4.460 -0.000 0.000 0.278 42 C C 2.567 177.541 174.990 -0.027 0.000 1.295 42 C CA 0.440 59.450 59.018 -0.013 0.000 1.738 42 C CB -0.776 26.954 27.740 -0.017 0.000 1.987 42 C HN 0.457 nan 8.230 nan 0.000 0.492 43 R N 1.166 121.649 120.500 -0.028 0.000 2.081 43 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 43 R C 2.398 178.678 176.300 -0.034 0.000 1.131 43 R CA 1.590 57.668 56.100 -0.037 0.000 0.960 43 R CB -0.462 29.820 30.300 -0.029 0.000 0.856 43 R HN 0.543 nan 8.270 nan 0.000 0.436 44 A N 0.183 122.990 122.820 -0.021 0.000 1.933 44 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 44 A C 2.178 179.748 177.584 -0.023 0.000 1.175 44 A CA 1.825 53.852 52.037 -0.017 0.000 0.628 44 A CB -0.562 18.435 19.000 -0.005 0.000 0.814 44 A HN 0.296 nan 8.150 nan 0.000 0.444 45 S N -0.854 114.835 115.700 -0.018 0.000 2.383 45 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 45 S C 2.017 176.565 174.600 -0.087 0.000 1.026 45 S CA 1.492 59.679 58.200 -0.021 0.000 0.981 45 S CB -0.321 62.892 63.200 0.022 0.000 0.818 45 S HN 0.685 nan 8.310 nan 0.000 0.472 46 E N 0.362 120.514 120.200 -0.081 0.000 2.110 46 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 46 E C 2.032 178.567 176.600 -0.109 0.000 0.988 46 E CA 1.084 57.418 56.400 -0.109 0.000 0.804 46 E CB -0.338 29.297 29.700 -0.108 0.000 0.745 46 E HN 0.598 nan 8.360 nan 0.000 0.458 47 A N 1.257 124.030 122.820 -0.079 0.000 1.930 47 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 47 A C 2.149 179.682 177.584 -0.084 0.000 1.175 47 A CA 1.151 53.151 52.037 -0.062 0.000 0.627 47 A CB -0.366 18.612 19.000 -0.038 0.000 0.815 47 A HN 0.169 nan 8.150 nan 0.000 0.443 48 R N -1.064 119.375 120.500 -0.103 0.000 2.096 48 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 48 R C 2.094 178.244 176.300 -0.251 0.000 1.127 48 R CA 1.419 57.447 56.100 -0.121 0.000 0.968 48 R CB -0.617 29.640 30.300 -0.072 0.000 0.861 48 R HN 0.499 nan 8.270 nan 0.000 0.440 49 L N 0.640 121.618 121.223 -0.408 0.000 2.046 49 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 49 L C 2.120 178.841 176.870 -0.248 0.000 1.077 49 L CA 2.113 56.616 54.840 -0.561 0.000 0.747 49 L CB -0.955 40.788 42.059 -0.527 0.000 0.896 49 L HN 0.159 nan 8.230 nan 0.000 0.432 50 G N -1.064 107.649 108.800 -0.145 0.000 2.418 50 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 50 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 50 G C 1.591 176.461 174.900 -0.051 0.000 1.158 50 G CA 0.799 45.861 45.100 -0.065 0.000 0.771 50 G HN 0.647 nan 8.290 nan 0.000 0.545 51 A N 0.081 122.866 122.820 -0.058 0.000 1.898 51 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 51 A C 2.589 180.164 177.584 -0.014 0.000 1.181 51 A CA 1.676 53.697 52.037 -0.027 0.000 0.620 51 A CB -0.615 18.372 19.000 -0.020 0.000 0.819 51 A HN 0.241 nan 8.150 nan 0.000 0.442 52 V N 0.280 120.175 119.914 -0.033 0.000 2.332 52 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 52 V C 2.414 178.526 176.094 0.031 0.000 1.055 52 V CA 2.100 64.412 62.300 0.021 0.000 1.038 52 V CB -0.596 31.244 31.823 0.029 0.000 0.651 52 V HN 0.576 nan 8.190 nan 0.000 0.450 53 I N -0.626 119.943 120.570 -0.001 0.000 2.163 53 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 53 I C 2.723 178.847 176.117 0.011 0.000 1.081 53 I CA 1.613 62.920 61.300 0.012 0.000 1.353 53 I CB -0.486 37.512 38.000 -0.004 0.000 1.054 53 I HN 0.190 nan 8.210 nan 0.000 0.407 54 R N 1.260 121.762 120.500 0.002 0.000 2.103 54 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 54 R C 1.814 178.120 176.300 0.011 0.000 1.142 54 R CA 1.822 57.925 56.100 0.004 0.000 0.960 54 R CB -0.081 30.218 30.300 -0.001 0.000 0.858 54 R HN 0.422 nan 8.270 nan 0.000 0.439 55 E N -0.769 119.442 120.200 0.019 0.000 2.481 55 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 55 E C 0.331 176.952 176.600 0.035 0.000 1.047 55 E CA 0.416 56.832 56.400 0.027 0.000 0.867 55 E CB 0.434 30.154 29.700 0.034 0.000 0.858 55 E HN 0.461 nan 8.360 nan 0.000 0.513 56 A N 1.938 124.780 122.820 0.037 0.000 2.822 56 A HA -0.223 4.097 4.320 -0.000 0.000 0.287 56 A C -0.008 177.617 177.584 0.067 0.000 1.479 56 A CA 0.511 52.573 52.037 0.041 0.000 0.779 56 A CB -1.374 17.639 19.000 0.022 0.000 1.022 56 A HN 0.120 nan 8.150 nan 0.000 0.532 57 R N 0.169 120.726 120.500 0.095 0.000 2.590 57 R HA 0.114 4.454 4.340 -0.000 0.000 0.274 57 R C 0.525 176.943 176.300 0.197 0.000 1.061 57 R CA -0.099 56.083 56.100 0.137 0.000 1.081 57 R CB 0.089 30.480 30.300 0.152 0.000 0.984 57 R HN 0.719 nan 8.270 nan 0.000 0.448 58 H N 1.901 121.014 119.070 0.073 0.000 3.160 58 H HA 0.200 4.756 4.556 -0.000 0.000 0.257 58 H C -0.881 174.521 175.328 0.123 0.000 1.140 58 H CA -0.358 55.726 56.048 0.060 0.000 1.492 58 H CB 0.195 29.966 29.762 0.014 0.000 1.529 58 H HN 0.055 nan 8.280 nan 0.000 0.490 59 V N 6.303 126.429 119.914 0.354 0.000 2.686 59 V HA 0.005 4.125 4.120 -0.000 0.000 0.306 59 V C -0.743 175.589 176.094 0.397 0.000 1.065 59 V CA -1.015 61.527 62.300 0.403 0.000 0.894 59 V CB 1.382 33.428 31.823 0.372 0.000 1.004 59 V HN 0.648 nan 8.190 nan 0.000 0.424 60 Y N 3.563 124.110 120.300 0.412 0.000 2.805 60 Y HA 0.356 4.906 4.550 -0.000 0.000 0.331 60 Y C 1.385 177.390 175.900 0.175 0.000 1.241 60 Y CA 1.816 60.057 58.100 0.234 0.000 1.546 60 Y CB 0.545 39.188 38.460 0.304 0.000 1.248 60 Y HN 1.066 nan 8.280 nan 0.000 0.559 61 G N 4.162 112.683 108.800 -0.465 0.000 2.212 61 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.266 61 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.266 61 G C 0.621 175.494 174.900 -0.045 0.000 0.978 61 G CA 0.649 45.589 45.100 -0.266 0.000 0.632 61 G HN 0.674 nan 8.290 nan 0.000 0.537 62 L N -0.230 121.001 121.223 0.014 0.000 2.609 62 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 62 L C 2.082 178.964 176.870 0.021 0.000 1.064 62 L CA 1.490 56.365 54.840 0.059 0.000 0.873 62 L CB 0.585 42.728 42.059 0.140 0.000 1.139 62 L HN 0.468 nan 8.230 nan 0.000 0.490 63 T N -4.120 110.443 114.554 0.015 0.000 3.403 63 T HA 0.168 4.518 4.350 -0.000 0.000 0.308 63 T C 0.220 174.891 174.700 -0.048 0.000 0.952 63 T CA 0.150 62.248 62.100 -0.003 0.000 0.970 63 T CB 0.075 68.972 68.868 0.048 0.000 1.189 63 T HN 0.153 nan 8.240 nan 0.000 0.528 64 T N -1.707 112.769 114.554 -0.130 0.000 2.864 64 T HA 0.767 5.117 4.350 -0.000 0.000 0.299 64 T C 0.561 174.987 174.700 -0.457 0.000 1.166 64 T CA -0.213 61.779 62.100 -0.179 0.000 1.007 64 T CB 1.427 70.287 68.868 -0.014 0.000 1.219 64 T HN 0.337 nan 8.240 nan 0.000 0.506 65 G N 0.103 108.682 108.800 -0.368 0.000 2.570 65 G HA2 0.545 4.505 3.960 -0.000 0.000 0.276 65 G HA3 0.545 4.505 3.960 -0.000 0.000 0.276 65 G C -0.996 173.491 174.900 -0.688 0.000 1.346 65 G CA -0.751 44.048 45.100 -0.502 0.000 1.034 65 G HN 0.566 nan 8.290 nan 0.000 0.512 66 F N -0.764 119.155 119.950 -0.051 0.000 2.470 66 F HA 0.600 5.127 4.527 0.000 0.000 0.329 66 F C 1.173 177.082 175.800 0.182 0.000 1.072 66 F CA 0.403 58.430 58.000 0.045 0.000 0.989 66 F CB 1.382 40.468 39.000 0.143 0.000 1.193 66 F HN 1.025 nan 8.300 nan 0.000 0.481 67 G N 2.038 111.169 108.800 0.552 0.000 2.596 67 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.295 67 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.295 67 G C -1.862 173.162 174.900 0.207 0.000 1.240 67 G CA -0.074 45.209 45.100 0.305 0.000 0.985 67 G HN 0.517 nan 8.290 nan 0.000 0.555 68 P HA 0.107 nan 4.420 nan 0.000 0.225 68 P C 1.760 179.098 177.300 0.064 0.000 1.148 68 P CA 0.917 64.064 63.100 0.079 0.000 0.779 68 P CB -0.091 31.639 31.700 0.050 0.000 0.780 69 L N -1.622 119.638 121.223 0.061 0.000 2.599 69 L HA 0.150 4.490 4.340 -0.000 0.000 0.230 69 L C 2.049 178.923 176.870 0.007 0.000 1.141 69 L CA 0.159 55.009 54.840 0.016 0.000 0.877 69 L CB -0.754 41.294 42.059 -0.018 0.000 1.009 69 L HN -0.049 nan 8.230 nan 0.000 0.447 70 A N 1.432 124.295 122.820 0.072 0.000 2.178 70 A HA -0.174 4.145 4.320 -0.000 0.000 0.218 70 A C 2.017 179.641 177.584 0.067 0.000 1.157 70 A CA 1.413 53.500 52.037 0.084 0.000 0.689 70 A CB -0.535 18.623 19.000 0.263 0.000 0.787 70 A HN 0.655 nan 8.150 nan 0.000 0.465 71 N N -0.451 118.277 118.700 0.047 0.000 2.515 71 N HA -0.057 4.683 4.740 -0.000 0.000 0.185 71 N C 0.061 175.566 175.510 -0.008 0.000 1.109 71 N CA 0.318 53.386 53.050 0.031 0.000 0.903 71 N CB -0.217 38.285 38.487 0.025 0.000 0.969 71 N HN 0.199 nan 8.380 nan 0.000 0.450 72 R N 1.045 121.529 120.500 -0.027 0.000 2.205 72 R HA 0.386 4.726 4.340 -0.000 0.000 0.342 72 R C -0.194 176.061 176.300 -0.075 0.000 1.058 72 R CA -0.286 55.783 56.100 -0.051 0.000 0.904 72 R CB 0.728 30.994 30.300 -0.056 0.000 1.089 72 R HN 0.153 nan 8.270 nan 0.000 0.471 73 L N 4.056 125.229 121.223 -0.085 0.000 2.417 73 L HA 0.360 4.699 4.340 -0.000 0.000 0.268 73 L C 0.144 176.958 176.870 -0.092 0.000 1.158 73 L CA -0.355 54.419 54.840 -0.109 0.000 0.819 73 L CB 0.565 42.533 42.059 -0.152 0.000 1.112 73 L HN 0.359 nan 8.230 nan 0.000 0.458 74 I N 1.418 121.933 120.570 -0.093 0.000 2.474 74 I HA 0.222 4.392 4.170 -0.000 0.000 0.294 74 I C 0.321 176.405 176.117 -0.055 0.000 1.005 74 I CA -0.234 61.020 61.300 -0.076 0.000 1.113 74 I CB 1.705 39.648 38.000 -0.095 0.000 1.289 74 I HN 0.526 nan 8.210 nan 0.000 0.436 75 S N 3.057 118.732 115.700 -0.042 0.000 2.580 75 S HA 0.341 4.811 4.470 -0.000 0.000 0.274 75 S C 1.459 176.046 174.600 -0.022 0.000 1.329 75 S CA 0.143 58.325 58.200 -0.030 0.000 1.036 75 S CB 1.248 64.432 63.200 -0.026 0.000 0.919 75 S HN 0.882 nan 8.310 nan 0.000 0.515 76 G N 2.598 111.389 108.800 -0.016 0.000 2.475 76 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 76 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 76 G C 1.181 176.074 174.900 -0.011 0.000 1.125 76 G CA 1.190 46.284 45.100 -0.010 0.000 0.755 76 G HN 0.945 nan 8.290 nan 0.000 0.565 77 E N 0.215 120.408 120.200 -0.012 0.000 2.265 77 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 77 E C 1.269 177.864 176.600 -0.009 0.000 0.996 77 E CA 0.992 57.385 56.400 -0.011 0.000 0.832 77 E CB -0.183 29.511 29.700 -0.011 0.000 0.756 77 E HN 0.352 nan 8.360 nan 0.000 0.491 78 N N 0.628 119.322 118.700 -0.010 0.000 2.230 78 N HA 0.056 4.796 4.740 -0.000 0.000 0.202 78 N C 1.353 176.863 175.510 -0.001 0.000 1.119 78 N CA 0.150 53.197 53.050 -0.006 0.000 0.851 78 N CB 1.135 39.617 38.487 -0.009 0.000 0.990 78 N HN 0.061 nan 8.380 nan 0.000 0.497 79 V N 1.175 121.088 119.914 -0.002 0.000 2.427 79 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 79 V C 2.421 178.526 176.094 0.019 0.000 1.051 79 V CA 1.326 63.631 62.300 0.007 0.000 1.048 79 V CB -0.217 31.611 31.823 0.008 0.000 0.666 79 V HN 0.233 nan 8.190 nan 0.000 0.456 80 R N 0.282 120.786 120.500 0.007 0.000 2.083 80 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 80 R C 2.373 178.677 176.300 0.007 0.000 1.137 80 R CA 2.050 58.152 56.100 0.002 0.000 0.951 80 R CB -1.389 28.906 30.300 -0.008 0.000 0.851 80 R HN 0.514 nan 8.270 nan 0.000 0.434 81 T N 2.377 116.939 114.554 0.013 0.000 2.746 81 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 81 T C 1.895 176.623 174.700 0.047 0.000 1.039 81 T CA 1.090 63.204 62.100 0.023 0.000 1.142 81 T CB -0.298 68.586 68.868 0.027 0.000 0.866 81 T HN 0.086 nan 8.240 nan 0.000 0.444 82 L N 1.347 122.608 121.223 0.062 0.000 1.989 82 L HA -0.153 4.186 4.340 -0.000 0.000 0.211 82 L C 2.453 179.451 176.870 0.213 0.000 1.071 82 L CA 1.849 56.766 54.840 0.128 0.000 0.749 82 L CB -0.659 41.438 42.059 0.065 0.000 0.890 82 L HN 0.248 nan 8.230 nan 0.000 0.431 83 Q N -0.832 119.052 119.800 0.139 0.000 2.224 83 Q HA -0.090 4.250 4.340 -0.000 0.000 0.203 83 Q C 2.196 178.165 176.000 -0.051 0.000 0.970 83 Q CA 1.175 57.032 55.803 0.091 0.000 0.865 83 Q CB -0.306 28.471 28.738 0.064 0.000 0.922 83 Q HN 0.705 nan 8.270 nan 0.000 0.445 84 A N 1.688 124.461 122.820 -0.078 0.000 1.930 84 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 84 A C 1.741 179.091 177.584 -0.390 0.000 1.175 84 A CA 1.287 53.181 52.037 -0.239 0.000 0.627 84 A CB -0.270 18.627 19.000 -0.173 0.000 0.815 84 A HN 0.258 nan 8.150 nan 0.000 0.443 85 N N -0.226 118.411 118.700 -0.105 0.000 2.331 85 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 85 N C 1.551 177.121 175.510 0.100 0.000 1.019 85 N CA 1.165 54.255 53.050 0.066 0.000 0.881 85 N CB -0.490 38.126 38.487 0.215 0.000 0.972 85 N HN 0.449 nan 8.380 nan 0.000 0.435 86 L N 1.020 122.223 121.223 -0.032 0.000 1.989 86 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 86 L C 1.946 178.425 176.870 -0.653 0.000 1.071 86 L CA 1.462 56.041 54.840 -0.435 0.000 0.749 86 L CB -0.741 40.950 42.059 -0.613 0.000 0.890 86 L HN -0.112 nan 8.230 nan 0.000 0.431 87 V N -0.229 119.427 119.914 -0.431 0.000 2.392 87 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 87 V C 2.380 178.300 176.094 -0.290 0.000 1.059 87 V CA 2.296 64.370 62.300 -0.377 0.000 1.051 87 V CB -1.076 30.570 31.823 -0.295 0.000 0.658 87 V HN 0.635 nan 8.190 nan 0.000 0.455 88 H N -0.355 118.585 119.070 -0.216 0.000 2.270 88 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 88 H C 2.218 177.476 175.328 -0.116 0.000 1.077 88 H CA 1.913 57.883 56.048 -0.130 0.000 1.294 88 H CB -0.297 29.456 29.762 -0.015 0.000 1.371 88 H HN 0.600 nan 8.280 nan 0.000 0.491 89 F N 0.711 120.692 119.950 0.052 0.000 2.365 89 F HA -0.022 4.505 4.527 0.000 0.000 0.300 89 F C 1.609 177.382 175.800 -0.046 0.000 1.090 89 F CA 0.779 58.779 58.000 0.001 0.000 1.408 89 F CB -0.666 38.339 39.000 0.008 0.000 1.060 89 F HN 0.011 nan 8.300 nan 0.000 0.534 90 L N 0.619 121.413 121.223 -0.715 0.000 2.418 90 L HA 0.226 4.566 4.340 -0.000 0.000 0.218 90 L C 1.846 178.541 176.870 -0.293 0.000 1.125 90 L CA 0.395 54.912 54.840 -0.538 0.000 0.835 90 L CB -0.619 41.028 42.059 -0.686 0.000 0.953 90 L HN 0.269 nan 8.230 nan 0.000 0.454 91 A N 0.079 122.700 122.820 -0.332 0.000 3.051 91 A HA 0.158 4.478 4.320 -0.000 0.000 0.257 91 A C 1.208 178.747 177.584 -0.074 0.000 1.785 91 A CA 0.241 51.965 52.037 -0.523 0.000 1.420 91 A CB -0.633 17.990 19.000 -0.628 0.000 1.063 91 A HN 0.358 nan 8.150 nan 0.000 0.630 92 S N -0.485 115.272 115.700 0.094 0.000 2.602 92 S HA 0.366 4.836 4.470 -0.000 0.000 0.240 92 S C 0.898 175.599 174.600 0.169 0.000 0.992 92 S CA 0.081 58.362 58.200 0.134 0.000 0.971 92 S CB 0.087 63.338 63.200 0.086 0.000 0.855 92 S HN 0.767 nan 8.310 nan 0.000 0.481 93 G N 1.574 110.568 108.800 0.322 0.000 2.544 93 G HA2 0.498 4.458 3.960 -0.000 0.000 0.242 93 G HA3 0.498 4.458 3.960 -0.000 0.000 0.242 93 G C -0.116 174.752 174.900 -0.054 0.000 1.247 93 G CA 0.116 45.251 45.100 0.058 0.000 0.840 93 G HN 1.001 nan 8.290 nan 0.000 0.578 94 V N -1.004 118.874 119.914 -0.061 0.000 3.182 94 V HA 1.034 5.154 4.120 -0.000 0.000 0.308 94 V C 0.584 176.641 176.094 -0.061 0.000 1.240 94 V CA -0.076 62.190 62.300 -0.056 0.000 1.063 94 V CB 1.097 32.908 31.823 -0.019 0.000 1.076 94 V HN 2.562 nan 8.190 nan 0.000 0.446 95 G N 0.444 109.217 108.800 -0.046 0.000 2.712 95 G HA2 0.060 4.020 3.960 -0.000 0.000 0.683 95 G HA3 0.060 4.020 3.960 -0.000 0.000 0.683 95 G C -2.760 172.114 174.900 -0.043 0.000 1.320 95 G CA -0.301 44.777 45.100 -0.036 0.000 0.847 95 G HN 1.125 nan 8.290 nan 0.000 0.553 96 P HA 0.403 nan 4.420 nan 0.000 0.269 96 P C 0.866 178.147 177.300 -0.031 0.000 1.209 96 P CA 0.435 63.522 63.100 -0.021 0.000 0.776 96 P CB 0.802 32.499 31.700 -0.005 0.000 0.876 97 V N 1.510 121.406 119.914 -0.030 0.000 2.963 97 V HA 0.128 4.248 4.120 -0.000 0.000 0.306 97 V C 0.713 176.800 176.094 -0.012 0.000 1.077 97 V CA -0.619 61.658 62.300 -0.037 0.000 1.124 97 V CB -0.550 31.256 31.823 -0.028 0.000 0.987 97 V HN 0.304 nan 8.190 nan 0.000 0.487 98 L N 2.738 123.950 121.223 -0.018 0.000 2.461 98 L HA 0.249 4.589 4.340 -0.000 0.000 0.272 98 L C 0.615 177.503 176.870 0.031 0.000 1.197 98 L CA -0.194 54.647 54.840 0.001 0.000 0.836 98 L CB 0.237 42.286 42.059 -0.016 0.000 1.105 98 L HN 1.033 nan 8.230 nan 0.000 0.477 99 D N -0.063 120.372 120.400 0.058 0.000 2.357 99 D HA -0.091 4.549 4.640 -0.000 0.000 0.242 99 D C 0.706 177.097 176.300 0.151 0.000 1.153 99 D CA -0.483 53.584 54.000 0.112 0.000 0.918 99 D CB 0.525 41.398 40.800 0.121 0.000 1.181 99 D HN 0.540 nan 8.370 nan 0.000 0.435 100 W N 1.386 122.689 121.300 0.006 0.000 2.280 100 W HA -0.335 4.325 4.660 -0.000 0.000 0.332 100 W C 2.187 178.699 176.519 -0.011 0.000 1.300 100 W CA 3.069 60.416 57.345 0.004 0.000 1.274 100 W CB -0.918 28.548 29.460 0.009 0.000 1.141 100 W HN 0.460 nan 8.180 nan 0.000 0.474 101 T N -0.346 114.330 114.554 0.204 0.000 2.746 101 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 101 T C 1.562 176.183 174.700 -0.132 0.000 1.039 101 T CA 2.332 64.401 62.100 -0.052 0.000 1.142 101 T CB -0.926 68.010 68.868 0.112 0.000 0.866 101 T HN 0.212 nan 8.240 nan 0.000 0.444 102 T N 1.945 116.483 114.554 -0.028 0.000 2.777 102 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 102 T C 2.437 177.090 174.700 -0.079 0.000 1.040 102 T CA 1.108 63.190 62.100 -0.030 0.000 1.141 102 T CB -0.538 68.342 68.868 0.019 0.000 0.868 102 T HN 0.431 nan 8.240 nan 0.000 0.444 103 A N 1.669 124.432 122.820 -0.096 0.000 1.933 103 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 103 A C 2.364 179.843 177.584 -0.176 0.000 1.175 103 A CA 1.369 53.336 52.037 -0.117 0.000 0.628 103 A CB -0.450 18.486 19.000 -0.106 0.000 0.814 103 A HN 0.399 nan 8.150 nan 0.000 0.444 104 R N -0.625 119.704 120.500 -0.284 0.000 2.115 104 R HA 0.017 4.357 4.340 -0.000 0.000 0.226 104 R C 2.401 178.565 176.300 -0.227 0.000 1.100 104 R CA 1.001 56.904 56.100 -0.328 0.000 0.980 104 R CB -0.379 29.575 30.300 -0.577 0.000 0.875 104 R HN 0.503 nan 8.270 nan 0.000 0.445 105 A N 1.100 123.805 122.820 -0.192 0.000 1.972 105 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 105 A C 2.102 179.629 177.584 -0.095 0.000 1.169 105 A CA 1.261 53.220 52.037 -0.131 0.000 0.635 105 A CB -0.424 18.523 19.000 -0.087 0.000 0.810 105 A HN 0.327 nan 8.150 nan 0.000 0.446 106 M N -0.324 119.223 119.600 -0.089 0.000 2.099 106 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 106 M C 1.877 178.134 176.300 -0.071 0.000 1.067 106 M CA 1.953 57.213 55.300 -0.067 0.000 1.124 106 M CB -0.229 32.335 32.600 -0.061 0.000 1.353 106 M HN 0.180 nan 8.290 nan 0.000 0.410 107 V N 1.133 120.993 119.914 -0.090 0.000 2.332 107 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 107 V C 2.429 178.479 176.094 -0.073 0.000 1.055 107 V CA 1.774 64.026 62.300 -0.080 0.000 1.038 107 V CB -0.956 30.811 31.823 -0.093 0.000 0.651 107 V HN 0.590 nan 8.190 nan 0.000 0.450 108 L N 0.900 122.070 121.223 -0.089 0.000 2.046 108 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 108 L C 2.444 179.276 176.870 -0.065 0.000 1.077 108 L CA 2.366 57.158 54.840 -0.080 0.000 0.747 108 L CB -0.986 41.016 42.059 -0.096 0.000 0.896 108 L HN 0.216 nan 8.230 nan 0.000 0.432 109 A N -0.459 122.324 122.820 -0.061 0.000 1.933 109 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 109 A C 2.459 180.019 177.584 -0.041 0.000 1.175 109 A CA 1.819 53.825 52.037 -0.052 0.000 0.628 109 A CB -0.601 18.372 19.000 -0.045 0.000 0.814 109 A HN 0.484 nan 8.150 nan 0.000 0.444 110 R N -0.620 119.857 120.500 -0.039 0.000 2.075 110 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 110 R C 1.946 178.231 176.300 -0.026 0.000 1.126 110 R CA 1.560 57.643 56.100 -0.028 0.000 0.963 110 R CB -0.675 29.608 30.300 -0.028 0.000 0.858 110 R HN 0.440 nan 8.270 nan 0.000 0.435 111 L N -0.092 121.111 121.223 -0.033 0.000 2.017 111 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 111 L C 1.932 178.785 176.870 -0.029 0.000 1.073 111 L CA 1.668 56.490 54.840 -0.030 0.000 0.745 111 L CB -0.560 41.477 42.059 -0.037 0.000 0.894 111 L HN 0.076 nan 8.230 nan 0.000 0.432 112 V N -0.995 118.896 119.914 -0.038 0.000 2.343 112 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 112 V C 2.769 178.846 176.094 -0.028 0.000 1.051 112 V CA 1.848 64.124 62.300 -0.040 0.000 1.036 112 V CB -0.855 30.932 31.823 -0.059 0.000 0.654 112 V HN 0.641 nan 8.190 nan 0.000 0.451 113 S N -0.366 115.319 115.700 -0.026 0.000 2.359 113 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 113 S C 1.925 176.522 174.600 -0.004 0.000 1.035 113 S CA 1.832 60.022 58.200 -0.016 0.000 1.018 113 S CB -0.364 62.828 63.200 -0.013 0.000 0.876 113 S HN 0.516 nan 8.310 nan 0.000 0.448 114 I N 1.646 122.215 120.570 -0.001 0.000 2.208 114 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 114 I C 2.655 178.775 176.117 0.006 0.000 1.097 114 I CA 1.132 62.437 61.300 0.009 0.000 1.363 114 I CB -0.519 37.483 38.000 0.004 0.000 1.051 114 I HN 0.368 nan 8.210 nan 0.000 0.413 115 A N 0.020 122.838 122.820 -0.004 0.000 2.178 115 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 115 A C 2.079 179.664 177.584 0.003 0.000 1.157 115 A CA 1.132 53.167 52.037 -0.004 0.000 0.689 115 A CB -0.327 18.667 19.000 -0.010 0.000 0.787 115 A HN 0.409 nan 8.150 nan 0.000 0.465 116 Q N -1.180 118.623 119.800 0.005 0.000 2.436 116 Q HA 0.073 4.413 4.340 -0.000 0.000 0.209 116 Q C 1.261 177.270 176.000 0.016 0.000 0.965 116 Q CA 0.824 56.632 55.803 0.009 0.000 0.910 116 Q CB -0.499 28.242 28.738 0.005 0.000 0.980 116 Q HN 1.054 nan 8.270 nan 0.000 0.491 117 G N 0.292 109.105 108.800 0.022 0.000 2.171 117 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.238 117 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.238 117 G C 0.464 175.400 174.900 0.059 0.000 1.039 117 G CA 0.407 45.526 45.100 0.032 0.000 0.759 117 G HN 0.521 nan 8.290 nan 0.000 0.501 118 A N -0.998 121.867 122.820 0.075 0.000 2.628 118 A HA 0.722 5.042 4.320 -0.000 0.000 0.267 118 A C 1.659 179.362 177.584 0.198 0.000 1.159 118 A CA 1.385 53.492 52.037 0.118 0.000 0.972 118 A CB 0.285 19.313 19.000 0.047 0.000 1.211 118 A HN 0.773 nan 8.150 nan 0.000 0.576 119 S N -1.059 114.753 115.700 0.187 0.000 2.511 119 S HA 0.356 4.826 4.470 -0.000 0.000 0.214 119 S C 1.547 176.322 174.600 0.292 0.000 0.997 119 S CA 0.681 59.019 58.200 0.231 0.000 0.908 119 S CB 0.385 63.653 63.200 0.112 0.000 0.803 119 S HN 1.645 nan 8.310 nan 0.000 0.504 120 G N 1.938 110.835 108.800 0.162 0.000 2.168 120 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 120 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 120 G C 0.237 175.117 174.900 -0.033 0.000 0.977 120 G CA 0.085 45.165 45.100 -0.033 0.000 0.659 120 G HN 0.898 nan 8.290 nan 0.000 0.533 121 A N 0.422 123.246 122.820 0.006 0.000 2.511 121 A HA 0.608 4.928 4.320 -0.000 0.000 0.242 121 A C 1.178 178.717 177.584 -0.075 0.000 1.069 121 A CA 0.995 53.020 52.037 -0.019 0.000 0.763 121 A CB 0.188 19.185 19.000 -0.004 0.000 1.001 121 A HN 2.024 nan 8.150 nan 0.000 0.498 122 S N 1.823 117.448 115.700 -0.125 0.000 2.600 122 S HA 0.148 4.618 4.470 -0.000 0.000 0.265 122 S C 0.767 175.270 174.600 -0.162 0.000 1.325 122 S CA 0.167 58.221 58.200 -0.243 0.000 1.002 122 S CB 0.624 63.526 63.200 -0.496 0.000 0.921 122 S HN 0.723 nan 8.310 nan 0.000 0.554 123 E N 1.512 121.611 120.200 -0.168 0.000 2.085 123 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 123 E C 2.187 178.743 176.600 -0.072 0.000 0.994 123 E CA 1.209 57.551 56.400 -0.097 0.000 0.801 123 E CB -0.808 28.843 29.700 -0.081 0.000 0.743 123 E HN 0.902 nan 8.360 nan 0.000 0.453 124 G N 0.573 109.324 108.800 -0.082 0.000 2.418 124 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 124 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 124 G C 1.636 176.523 174.900 -0.022 0.000 1.158 124 G CA 1.312 46.392 45.100 -0.034 0.000 0.771 124 G HN 0.190 nan 8.290 nan 0.000 0.545 125 T N 1.245 115.778 114.554 -0.035 0.000 2.788 125 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 125 T C 2.372 177.061 174.700 -0.018 0.000 1.044 125 T CA 0.919 63.009 62.100 -0.017 0.000 1.139 125 T CB -0.136 68.721 68.868 -0.018 0.000 0.867 125 T HN 0.261 nan 8.240 nan 0.000 0.454 126 I N 1.180 121.733 120.570 -0.028 0.000 2.315 126 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 126 I C 2.898 179.003 176.117 -0.018 0.000 1.117 126 I CA 0.930 62.215 61.300 -0.024 0.000 1.404 126 I CB -0.463 37.520 38.000 -0.029 0.000 1.071 126 I HN 0.179 nan 8.210 nan 0.000 0.419 127 A N 0.893 123.703 122.820 -0.018 0.000 1.972 127 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 127 A C 2.331 179.913 177.584 -0.004 0.000 1.169 127 A CA 1.271 53.302 52.037 -0.011 0.000 0.635 127 A CB -0.383 18.611 19.000 -0.011 0.000 0.810 127 A HN 0.254 nan 8.150 nan 0.000 0.446 128 R N -0.195 120.306 120.500 0.002 0.000 2.092 128 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 128 R C 2.020 178.328 176.300 0.013 0.000 1.119 128 R CA 1.110 57.219 56.100 0.015 0.000 0.970 128 R CB -0.961 29.352 30.300 0.023 0.000 0.864 128 R HN 0.594 nan 8.270 nan 0.000 0.440 129 L N 0.179 121.402 121.223 -0.001 0.000 2.056 129 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 129 L C 2.495 179.355 176.870 -0.017 0.000 1.078 129 L CA 1.148 55.982 54.840 -0.011 0.000 0.749 129 L CB -0.489 41.558 42.059 -0.020 0.000 0.901 129 L HN 0.062 nan 8.230 nan 0.000 0.433 130 I N -0.024 120.536 120.570 -0.016 0.000 2.179 130 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 130 I C 2.172 178.281 176.117 -0.013 0.000 1.088 130 I CA 1.208 62.497 61.300 -0.019 0.000 1.357 130 I CB -0.414 37.576 38.000 -0.016 0.000 1.051 130 I HN 0.258 nan 8.210 nan 0.000 0.409 131 D N 0.843 121.240 120.400 -0.005 0.000 2.104 131 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 131 D C 2.148 178.450 176.300 0.003 0.000 0.994 131 D CA 1.000 55.000 54.000 -0.001 0.000 0.830 131 D CB -0.402 40.400 40.800 0.002 0.000 0.959 131 D HN 0.150 nan 8.370 nan 0.000 0.452 132 L N 0.867 122.098 121.223 0.013 0.000 1.989 132 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 132 L C 2.189 179.051 176.870 -0.014 0.000 1.071 132 L CA 1.486 56.342 54.840 0.027 0.000 0.749 132 L CB -0.921 41.167 42.059 0.048 0.000 0.890 132 L HN 0.107 nan 8.230 nan 0.000 0.431 133 L N 0.077 121.275 121.223 -0.041 0.000 2.131 133 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 133 L C 1.934 178.779 176.870 -0.042 0.000 1.092 133 L CA 0.998 55.793 54.840 -0.075 0.000 0.759 133 L CB -0.601 41.412 42.059 -0.077 0.000 0.903 133 L HN 0.373 nan 8.230 nan 0.000 0.435 134 N N -0.391 118.300 118.700 -0.015 0.000 2.398 134 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 134 N C 0.815 176.340 175.510 0.025 0.000 1.122 134 N CA 0.364 53.416 53.050 0.004 0.000 0.866 134 N CB 0.151 38.639 38.487 0.001 0.000 0.970 134 N HN 0.347 nan 8.380 nan 0.000 0.462 135 S N 0.196 115.915 115.700 0.031 0.000 2.738 135 S HA 0.219 4.689 4.470 -0.000 0.000 0.284 135 S C 0.915 175.595 174.600 0.133 0.000 1.146 135 S CA -0.672 57.561 58.200 0.055 0.000 0.997 135 S CB 1.367 64.585 63.200 0.031 0.000 1.081 135 S HN 0.283 nan 8.310 nan 0.000 0.553 136 E N -0.214 120.086 120.200 0.167 0.000 2.465 136 E HA 0.277 4.627 4.350 -0.000 0.000 0.191 136 E C -0.017 176.881 176.600 0.498 0.000 1.053 136 E CA -0.212 56.371 56.400 0.305 0.000 0.869 136 E CB -0.342 29.444 29.700 0.143 0.000 0.977 136 E HN 0.528 nan 8.360 nan 0.000 0.483 137 L N 0.516 121.955 121.223 0.361 0.000 2.335 137 L HA 0.815 5.155 4.340 -0.000 0.000 0.268 137 L C -0.217 176.795 176.870 0.236 0.000 1.016 137 L CA -1.253 53.838 54.840 0.418 0.000 0.805 137 L CB 1.705 43.900 42.059 0.226 0.000 1.311 137 L HN 0.068 nan 8.230 nan 0.000 0.456 138 A N 0.709 123.683 122.820 0.257 0.000 2.549 138 A HA 0.811 5.131 4.320 -0.000 0.000 0.297 138 A C -2.829 174.814 177.584 0.099 0.000 1.061 138 A CA -1.362 50.669 52.037 -0.010 0.000 0.690 138 A CB 1.892 20.703 19.000 -0.315 0.000 1.287 138 A HN 0.367 nan 8.150 nan 0.000 0.402 139 P HA 0.406 nan 4.420 nan 0.000 0.275 139 P C -0.400 176.791 177.300 -0.182 0.000 1.228 139 P CA 0.038 62.941 63.100 -0.327 0.000 0.786 139 P CB 1.373 32.885 31.700 -0.314 0.000 0.927 140 A N 3.198 125.896 122.820 -0.203 0.000 2.294 140 A HA 0.514 4.834 4.320 -0.000 0.000 0.316 140 A C 0.180 177.694 177.584 -0.118 0.000 1.359 140 A CA -0.509 51.470 52.037 -0.096 0.000 0.956 140 A CB -0.361 18.609 19.000 -0.050 0.000 1.155 140 A HN 0.444 nan 8.150 nan 0.000 0.544 141 V N 0.890 120.738 119.914 -0.109 0.000 2.680 141 V HA 0.781 4.901 4.120 -0.000 0.000 0.309 141 V C -2.824 173.164 176.094 -0.176 0.000 1.052 141 V CA -2.655 59.557 62.300 -0.146 0.000 0.908 141 V CB 1.896 33.667 31.823 -0.085 0.000 1.001 141 V HN 0.640 nan 8.190 nan 0.000 0.431 142 P HA 0.115 nan 4.420 nan 0.000 0.268 142 P C 0.798 178.016 177.300 -0.138 0.000 1.205 142 P CA 0.390 63.351 63.100 -0.232 0.000 0.771 142 P CB 1.345 32.836 31.700 -0.348 0.000 0.858 143 S N 2.760 118.412 115.700 -0.080 0.000 2.489 143 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 143 S C 0.841 175.423 174.600 -0.030 0.000 0.995 143 S CA 0.145 58.320 58.200 -0.042 0.000 0.934 143 S CB -0.117 63.070 63.200 -0.021 0.000 0.771 143 S HN 0.421 nan 8.310 nan 0.000 0.522 144 R N -0.441 120.037 120.500 -0.037 0.000 2.787 144 R HA 0.643 4.983 4.340 -0.000 0.000 0.271 144 R C 0.783 177.077 176.300 -0.010 0.000 0.993 144 R CA -0.113 55.977 56.100 -0.016 0.000 0.993 144 R CB 1.549 31.841 30.300 -0.012 0.000 1.155 144 R HN 0.285 nan 8.270 nan 0.000 0.486 145 G N 0.057 108.861 108.800 0.007 0.000 2.705 145 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.193 145 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.193 145 G C 0.058 174.973 174.900 0.025 0.000 1.015 145 G CA -0.039 45.075 45.100 0.022 0.000 0.743 145 G HN 0.603 nan 8.290 nan 0.000 0.476 146 T N 0.790 115.356 114.554 0.019 0.000 2.902 146 T HA 0.529 4.879 4.350 -0.000 0.000 0.283 146 T C 1.461 176.176 174.700 0.024 0.000 1.009 146 T CA 0.447 62.557 62.100 0.017 0.000 1.051 146 T CB 1.630 70.504 68.868 0.010 0.000 0.999 146 T HN 1.141 nan 8.240 nan 0.000 0.474 147 V N 1.524 121.454 119.914 0.027 0.000 3.596 147 V HA 0.588 4.708 4.120 -0.000 0.000 0.289 147 V C 1.188 177.310 176.094 0.047 0.000 1.336 147 V CA 0.190 62.514 62.300 0.039 0.000 1.137 147 V CB -1.410 30.439 31.823 0.043 0.000 0.966 147 V HN 1.358 nan 8.190 nan 0.000 0.428 153 L N -0.244 120.937 121.223 -0.069 0.000 2.012 153 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 153 L C 2.372 179.176 176.870 -0.110 0.000 1.073 153 L CA 1.539 56.312 54.840 -0.112 0.000 0.748 153 L CB -0.737 41.229 42.059 -0.155 0.000 0.891 153 L HN 0.105 nan 8.230 nan 0.000 0.431 154 T N 0.450 114.965 114.554 -0.065 0.000 2.622 154 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 154 T C -0.449 174.301 174.700 0.083 0.000 1.047 154 T CA 1.830 63.923 62.100 -0.013 0.000 1.159 154 T CB -1.243 67.648 68.868 0.039 0.000 0.863 154 T HN 0.329 nan 8.240 nan 0.000 0.422 155 P HA 0.044 nan 4.420 nan 0.000 0.221 155 P C 1.505 178.822 177.300 0.028 0.000 1.150 155 P CA 0.893 64.031 63.100 0.063 0.000 0.800 155 P CB -0.199 31.504 31.700 0.004 0.000 0.787 156 L N -0.722 120.488 121.223 -0.022 0.000 2.179 156 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 156 L C 2.739 179.557 176.870 -0.086 0.000 1.096 156 L CA 1.131 55.939 54.840 -0.053 0.000 0.779 156 L CB -0.913 41.109 42.059 -0.062 0.000 0.922 156 L HN -0.065 nan 8.230 nan 0.000 0.443 157 A N -0.936 121.805 122.820 -0.132 0.000 1.930 157 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 157 A C 2.107 179.561 177.584 -0.217 0.000 1.175 157 A CA 1.169 53.073 52.037 -0.222 0.000 0.627 157 A CB -0.665 18.136 19.000 -0.333 0.000 0.815 157 A HN 0.386 nan 8.150 nan 0.000 0.443 158 H N -1.139 117.865 119.070 -0.110 0.000 2.389 158 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 158 H C 2.083 177.336 175.328 -0.125 0.000 1.081 158 H CA 1.754 57.740 56.048 -0.102 0.000 1.345 158 H CB -0.250 29.457 29.762 -0.092 0.000 1.393 158 H HN 0.593 nan 8.280 nan 0.000 0.520 159 M N 0.503 120.092 119.600 -0.017 0.000 2.086 159 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 159 M C 2.135 178.379 176.300 -0.093 0.000 1.067 159 M CA 1.293 56.544 55.300 -0.082 0.000 1.116 159 M CB -0.127 32.430 32.600 -0.071 0.000 1.348 159 M HN -0.010 nan 8.290 nan 0.000 0.407 160 V N 1.342 121.205 119.914 -0.084 0.000 2.287 160 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 160 V C 2.447 178.502 176.094 -0.066 0.000 1.053 160 V CA 1.873 64.128 62.300 -0.075 0.000 1.027 160 V CB -0.752 31.014 31.823 -0.096 0.000 0.646 160 V HN 0.546 nan 8.190 nan 0.000 0.447 161 L N -0.952 120.224 121.223 -0.079 0.000 2.042 161 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 161 L C 2.670 179.510 176.870 -0.050 0.000 1.076 161 L CA 1.735 56.546 54.840 -0.049 0.000 0.749 161 L CB -0.771 41.258 42.059 -0.050 0.000 0.893 161 L HN 0.408 nan 8.230 nan 0.000 0.432 162 C N -0.054 119.171 119.300 -0.126 0.000 2.413 162 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 162 C C 2.672 177.582 174.990 -0.133 0.000 1.228 162 C CA 0.521 59.363 59.018 -0.292 0.000 1.731 162 C CB -0.893 26.503 27.740 -0.573 0.000 2.042 162 C HN 0.441 nan 8.230 nan 0.000 0.468 163 L N 0.350 121.546 121.223 -0.044 0.000 2.353 163 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 163 L C 2.372 179.318 176.870 0.127 0.000 1.133 163 L CA 1.247 56.160 54.840 0.122 0.000 0.798 163 L CB -0.696 41.397 42.059 0.058 0.000 0.922 163 L HN 0.546 nan 8.230 nan 0.000 0.445 164 Q N -0.273 119.573 119.800 0.076 0.000 2.360 164 Q HA 0.126 4.466 4.340 -0.000 0.000 0.202 164 Q C 1.337 177.395 176.000 0.097 0.000 0.915 164 Q CA 0.499 56.343 55.803 0.069 0.000 0.943 164 Q CB 0.628 29.387 28.738 0.034 0.000 1.064 164 Q HN 0.553 nan 8.270 nan 0.000 0.511 165 G N 1.787 110.682 108.800 0.158 0.000 2.136 165 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.242 165 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.242 165 G C 0.549 175.525 174.900 0.127 0.000 0.989 165 G CA 0.101 45.313 45.100 0.187 0.000 0.682 165 G HN 0.321 nan 8.290 nan 0.000 0.522 166 R N -0.051 120.500 120.500 0.084 0.000 2.546 166 R HA 0.460 4.800 4.340 -0.000 0.000 0.320 166 R C 1.035 177.355 176.300 0.034 0.000 1.021 166 R CA 0.490 56.623 56.100 0.055 0.000 1.088 166 R CB 0.909 31.237 30.300 0.047 0.000 1.278 166 R HN 0.505 nan 8.270 nan 0.000 0.557 167 G N -0.346 108.463 108.800 0.016 0.000 2.690 167 G HA2 0.254 4.214 3.960 -0.000 0.000 0.291 167 G HA3 0.254 4.214 3.960 -0.000 0.000 0.291 167 G C -1.413 173.453 174.900 -0.057 0.000 1.403 167 G CA -0.631 44.450 45.100 -0.031 0.000 0.864 167 G HN -0.135 nan 8.290 nan 0.000 0.480 168 D N -0.620 119.752 120.400 -0.047 0.000 2.371 168 D HA 0.560 5.200 4.640 -0.000 0.000 0.242 168 D C -0.512 175.711 176.300 -0.128 0.000 1.218 168 D CA 0.618 54.626 54.000 0.014 0.000 0.945 168 D CB 0.730 41.548 40.800 0.030 0.000 1.137 168 D HN 0.111 nan 8.370 nan 0.000 0.464 169 F N -0.759 119.215 119.950 0.041 0.000 2.620 169 F HA 0.521 5.048 4.527 -0.000 0.000 0.320 169 F C -0.352 175.494 175.800 0.077 0.000 1.069 169 F CA -0.901 57.132 58.000 0.055 0.000 0.953 169 F CB 1.263 40.296 39.000 0.055 0.000 1.322 169 F HN -0.063 nan 8.300 nan 0.000 0.479 170 L N 1.758 123.182 121.223 0.335 0.000 2.381 170 L HA 0.435 4.775 4.340 -0.000 0.000 0.268 170 L C -0.923 176.163 176.870 0.361 0.000 0.997 170 L CA -1.023 53.987 54.840 0.284 0.000 0.818 170 L CB 1.843 44.069 42.059 0.278 0.000 1.310 170 L HN 0.585 nan 8.230 nan 0.000 0.416 171 D N 1.797 122.310 120.400 0.188 0.000 2.432 171 D HA 0.126 4.766 4.640 -0.000 0.000 0.258 171 D C 0.861 177.019 176.300 -0.237 0.000 1.146 171 D CA -0.652 53.389 54.000 0.068 0.000 1.015 171 D CB 1.084 41.880 40.800 -0.006 0.000 1.107 171 D HN 0.445 nan 8.370 nan 0.000 0.529 172 R N -0.395 119.708 120.500 -0.662 0.000 2.139 172 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 172 R C 0.598 176.553 176.300 -0.575 0.000 1.145 172 R CA 1.615 56.971 56.100 -1.239 0.000 0.976 172 R CB -0.083 29.573 30.300 -1.074 0.000 0.866 172 R HN 0.470 nan 8.270 nan 0.000 0.449 173 D N -1.475 118.745 120.400 -0.300 0.000 2.349 173 D HA 0.044 4.684 4.640 -0.000 0.000 0.224 173 D C 1.044 177.299 176.300 -0.076 0.000 1.029 173 D CA 1.128 55.034 54.000 -0.156 0.000 0.879 173 D CB 0.642 41.379 40.800 -0.106 0.000 0.906 173 D HN 0.565 nan 8.370 nan 0.000 0.528 174 G N 0.799 109.570 108.800 -0.048 0.000 2.175 174 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 174 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 174 G C 0.548 175.470 174.900 0.037 0.000 0.982 174 G CA 0.169 45.286 45.100 0.030 0.000 0.641 174 G HN 0.280 nan 8.290 nan 0.000 0.527 175 T N 2.927 117.492 114.554 0.017 0.000 2.888 175 T HA 0.416 4.766 4.350 -0.000 0.000 0.301 175 T C 0.745 175.481 174.700 0.060 0.000 1.001 175 T CA 0.033 62.149 62.100 0.027 0.000 1.147 175 T CB 0.809 69.683 68.868 0.009 0.000 0.931 175 T HN 0.278 nan 8.240 nan 0.000 0.541 176 R N 2.922 123.456 120.500 0.058 0.000 2.357 176 R HA 0.501 4.841 4.340 -0.000 0.000 0.296 176 R C -0.405 175.945 176.300 0.084 0.000 1.052 176 R CA -0.405 55.742 56.100 0.078 0.000 0.988 176 R CB 0.852 31.186 30.300 0.057 0.000 1.025 176 R HN 0.559 nan 8.270 nan 0.000 0.469 177 L N 2.217 123.515 121.223 0.126 0.000 2.370 177 L HA 0.291 4.631 4.340 -0.000 0.000 0.266 177 L C 0.138 177.103 176.870 0.158 0.000 1.002 177 L CA -1.236 53.677 54.840 0.122 0.000 0.818 177 L CB 2.035 44.167 42.059 0.121 0.000 1.325 177 L HN 0.618 nan 8.230 nan 0.000 0.418 178 D N 1.079 121.551 120.400 0.119 0.000 2.377 178 D HA 0.092 4.732 4.640 -0.000 0.000 0.245 178 D C 1.196 177.616 176.300 0.200 0.000 1.196 178 D CA -0.037 54.040 54.000 0.128 0.000 0.962 178 D CB 0.933 41.781 40.800 0.080 0.000 1.127 178 D HN 0.571 nan 8.370 nan 0.000 0.471 179 G N -0.083 108.840 108.800 0.204 0.000 2.529 179 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 179 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 179 G C 1.512 176.530 174.900 0.197 0.000 1.177 179 G CA 2.046 47.318 45.100 0.287 0.000 0.773 179 G HN 0.716 nan 8.290 nan 0.000 0.573 180 A N 0.558 123.441 122.820 0.105 0.000 1.908 180 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 180 A C 2.228 179.816 177.584 0.007 0.000 1.181 180 A CA 2.344 54.410 52.037 0.049 0.000 0.627 180 A CB -0.438 18.584 19.000 0.038 0.000 0.818 180 A HN 0.420 nan 8.150 nan 0.000 0.445 181 E N 0.135 120.344 120.200 0.015 0.000 2.150 181 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 181 E C 1.930 178.474 176.600 -0.094 0.000 0.985 181 E CA 1.356 57.744 56.400 -0.019 0.000 0.814 181 E CB -0.795 28.910 29.700 0.008 0.000 0.752 181 E HN 0.399 nan 8.360 nan 0.000 0.466 182 G N 0.813 109.528 108.800 -0.141 0.000 2.421 182 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 182 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 182 G C 1.588 176.096 174.900 -0.654 0.000 1.171 182 G CA 0.886 45.659 45.100 -0.545 0.000 0.775 182 G HN 0.315 nan 8.290 nan 0.000 0.543 183 L N -0.233 120.731 121.223 -0.431 0.000 2.083 183 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 183 L C 3.190 179.957 176.870 -0.171 0.000 1.083 183 L CA 1.075 55.757 54.840 -0.263 0.000 0.752 183 L CB -0.374 41.631 42.059 -0.090 0.000 0.899 183 L HN 0.179 nan 8.230 nan 0.000 0.433 184 R N -0.233 120.190 120.500 -0.129 0.000 2.057 184 R HA -0.149 4.191 4.340 -0.000 0.000 0.229 184 R C 2.422 178.666 176.300 -0.092 0.000 1.136 184 R CA 1.154 57.204 56.100 -0.083 0.000 0.952 184 R CB -0.364 29.904 30.300 -0.054 0.000 0.848 184 R HN 0.112 nan 8.270 nan 0.000 0.430 185 R N 0.835 121.267 120.500 -0.113 0.000 2.091 185 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 185 R C 1.857 178.098 176.300 -0.097 0.000 1.136 185 R CA 2.074 58.118 56.100 -0.094 0.000 0.959 185 R CB -0.949 29.295 30.300 -0.094 0.000 0.856 185 R HN 0.321 nan 8.270 nan 0.000 0.437 186 G N -0.730 107.976 108.800 -0.157 0.000 3.042 186 G HA2 0.009 3.969 3.960 -0.000 0.000 0.212 186 G HA3 0.009 3.969 3.960 -0.000 0.000 0.212 186 G C -0.442 174.406 174.900 -0.086 0.000 1.166 186 G CA -0.050 44.978 45.100 -0.120 0.000 0.767 186 G HN 0.375 nan 8.290 nan 0.000 0.546 187 R N -0.888 119.561 120.500 -0.085 0.000 3.205 187 R HA -0.138 4.202 4.340 -0.000 0.000 0.249 187 R C -0.691 175.578 176.300 -0.051 0.000 0.937 187 R CA 0.367 56.434 56.100 -0.056 0.000 0.641 187 R CB -2.181 28.099 30.300 -0.034 0.000 1.114 187 R HN 0.346 nan 8.270 nan 0.000 0.451 188 L N 0.570 121.750 121.223 -0.071 0.000 2.330 188 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 188 L C 0.538 177.394 176.870 -0.023 0.000 1.013 188 L CA -1.194 53.618 54.840 -0.046 0.000 0.816 188 L CB 1.673 43.694 42.059 -0.064 0.000 1.287 188 L HN 0.015 nan 8.230 nan 0.000 0.435 189 Q N 2.171 121.971 119.800 0.001 0.000 2.235 189 Q HA 0.414 4.754 4.340 -0.000 0.000 0.256 189 Q C -2.358 173.660 176.000 0.030 0.000 0.951 189 Q CA -1.990 53.819 55.803 0.011 0.000 0.890 189 Q CB 1.512 30.258 28.738 0.012 0.000 1.279 189 Q HN 0.296 nan 8.270 nan 0.000 0.444 190 P HA 0.001 nan 4.420 nan 0.000 0.268 190 P C -0.282 177.045 177.300 0.045 0.000 1.204 190 P CA -0.481 62.649 63.100 0.050 0.000 0.768 190 P CB 0.583 32.309 31.700 0.043 0.000 0.842 191 L N 3.134 124.388 121.223 0.051 0.000 2.462 191 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 191 L C -0.091 176.798 176.870 0.032 0.000 1.166 191 L CA 0.582 55.445 54.840 0.038 0.000 0.880 191 L CB -0.431 41.647 42.059 0.032 0.000 1.142 191 L HN 0.283 nan 8.230 nan 0.000 0.473 192 D N 4.522 124.945 120.400 0.039 0.000 2.440 192 D HA 0.251 4.891 4.640 -0.000 0.000 0.239 192 D C -0.104 176.233 176.300 0.061 0.000 1.084 192 D CA -0.181 53.844 54.000 0.043 0.000 0.843 192 D CB 0.784 41.614 40.800 0.051 0.000 1.097 192 D HN 0.620 nan 8.370 nan 0.000 0.531 193 L N 3.137 124.383 121.223 0.038 0.000 2.783 193 L HA 0.111 4.451 4.340 -0.000 0.000 0.236 193 L C 1.916 178.810 176.870 0.040 0.000 1.225 193 L CA -0.124 54.744 54.840 0.047 0.000 1.026 193 L CB -0.178 41.888 42.059 0.013 0.000 1.314 193 L HN 0.403 nan 8.230 nan 0.000 0.489 194 S N -1.923 113.786 115.700 0.015 0.000 2.440 194 S HA -0.224 4.245 4.470 -0.000 0.000 0.238 194 S C 1.438 175.956 174.600 -0.137 0.000 1.010 194 S CA 1.015 59.168 58.200 -0.078 0.000 0.972 194 S CB -0.470 62.642 63.200 -0.146 0.000 0.774 194 S HN 0.548 nan 8.310 nan 0.000 0.501 195 H N 1.539 120.602 119.070 -0.012 0.000 2.556 195 H HA 0.359 4.915 4.556 -0.000 0.000 0.268 195 H C 0.561 175.880 175.328 -0.016 0.000 0.996 195 H CA 0.390 56.427 56.048 -0.018 0.000 1.157 195 H CB -0.134 29.614 29.762 -0.023 0.000 1.355 195 H HN 0.365 nan 8.280 nan 0.000 0.597 196 R N 0.892 121.436 120.500 0.073 0.000 3.531 196 R HA -0.133 4.207 4.340 -0.000 0.000 0.280 196 R C -0.748 175.596 176.300 0.073 0.000 1.130 196 R CA 0.840 56.974 56.100 0.057 0.000 0.757 196 R CB -1.798 28.526 30.300 0.040 0.000 1.218 196 R HN 0.547 nan 8.270 nan 0.000 0.454 197 D N -0.983 119.464 120.400 0.079 0.000 2.525 197 D HA 0.232 4.872 4.640 -0.000 0.000 0.229 197 D C 1.208 177.545 176.300 0.060 0.000 1.202 197 D CA 0.318 54.360 54.000 0.070 0.000 0.828 197 D CB 0.360 41.187 40.800 0.046 0.000 1.008 197 D HN 0.291 nan 8.370 nan 0.000 0.493 198 A N 0.422 123.272 122.820 0.051 0.000 1.933 198 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 198 A C 1.929 179.526 177.584 0.021 0.000 1.175 198 A CA 0.776 52.823 52.037 0.016 0.000 0.628 198 A CB -0.501 18.494 19.000 -0.009 0.000 0.814 198 A HN 0.283 nan 8.150 nan 0.000 0.444 199 L N -0.620 120.647 121.223 0.074 0.000 2.549 199 L HA -0.017 4.323 4.340 -0.000 0.000 0.229 199 L C 2.589 179.512 176.870 0.088 0.000 1.158 199 L CA 1.186 56.082 54.840 0.093 0.000 0.842 199 L CB -0.453 41.713 42.059 0.179 0.000 0.952 199 L HN 0.389 nan 8.230 nan 0.000 0.452 200 A N -1.328 121.541 122.820 0.081 0.000 2.123 200 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 200 A C 2.089 179.691 177.584 0.030 0.000 1.152 200 A CA 0.882 52.961 52.037 0.071 0.000 0.728 200 A CB -0.171 18.870 19.000 0.068 0.000 0.814 200 A HN 0.390 nan 8.150 nan 0.000 0.464 201 L N -1.181 120.047 121.223 0.009 0.000 2.467 201 L HA 0.140 4.480 4.340 -0.000 0.000 0.213 201 L C 0.060 176.909 176.870 -0.035 0.000 1.053 201 L CA 0.231 55.061 54.840 -0.017 0.000 0.847 201 L CB 0.321 42.364 42.059 -0.027 0.000 1.075 201 L HN 0.027 nan 8.230 nan 0.000 0.479 202 V N 2.257 122.141 119.914 -0.049 0.000 2.258 202 V HA 0.354 4.474 4.120 -0.000 0.000 0.258 202 V C -0.428 175.638 176.094 -0.047 0.000 1.121 202 V CA -0.131 62.120 62.300 -0.083 0.000 0.942 202 V CB -0.291 31.439 31.823 -0.156 0.000 1.170 202 V HN 0.342 nan 8.190 nan 0.000 0.487 203 N N 2.055 120.740 118.700 -0.024 0.000 3.348 203 N HA 0.472 5.212 4.740 -0.000 0.000 0.233 203 N C -0.012 175.516 175.510 0.030 0.000 1.440 203 N CA 0.557 53.615 53.050 0.014 0.000 0.887 203 N CB 2.127 40.643 38.487 0.047 0.000 1.410 203 N HN 0.754 nan 8.380 nan 0.000 0.502 204 G N 0.049 108.900 108.800 0.085 0.000 2.641 204 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 204 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 204 G C 0.262 175.205 174.900 0.072 0.000 1.315 204 G CA 0.607 45.763 45.100 0.093 0.000 0.907 204 G HN 1.224 nan 8.290 nan 0.000 0.572 205 T N -3.103 111.479 114.554 0.047 0.000 3.258 205 T HA 0.564 4.914 4.350 -0.000 0.000 0.263 205 T C 1.827 176.531 174.700 0.006 0.000 0.983 205 T CA 0.942 63.062 62.100 0.032 0.000 0.907 205 T CB 0.462 69.347 68.868 0.029 0.000 1.096 205 T HN 0.778 nan 8.240 nan 0.000 0.556 206 S N 1.770 117.469 115.700 -0.002 0.000 2.374 206 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 206 S C 2.474 177.063 174.600 -0.019 0.000 1.037 206 S CA 1.370 59.560 58.200 -0.017 0.000 1.024 206 S CB -0.618 62.568 63.200 -0.023 0.000 0.861 206 S HN 0.838 nan 8.310 nan 0.000 0.456 207 A N 2.630 125.442 122.820 -0.013 0.000 1.841 207 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 207 A C 2.284 179.868 177.584 -0.001 0.000 1.195 207 A CA 1.802 53.833 52.037 -0.011 0.000 0.611 207 A CB -0.822 18.174 19.000 -0.008 0.000 0.835 207 A HN 0.661 nan 8.150 nan 0.000 0.443 208 M N -1.459 118.146 119.600 0.008 0.000 2.213 208 M HA -0.093 4.386 4.480 -0.000 0.000 0.263 208 M C 1.795 178.101 176.300 0.010 0.000 1.062 208 M CA 2.306 57.615 55.300 0.016 0.000 1.105 208 M CB -1.309 31.303 32.600 0.021 0.000 1.385 208 M HN 0.173 nan 8.290 nan 0.000 0.417 209 T N 1.169 115.719 114.554 -0.006 0.000 2.777 209 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 209 T C 1.974 176.669 174.700 -0.008 0.000 1.040 209 T CA 1.663 63.751 62.100 -0.020 0.000 1.141 209 T CB -0.737 68.110 68.868 -0.034 0.000 0.868 209 T HN 0.718 nan 8.240 nan 0.000 0.444 210 G N 1.305 110.099 108.800 -0.011 0.000 2.418 210 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.217 210 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.217 210 G C 1.527 176.438 174.900 0.018 0.000 1.158 210 G CA 0.479 45.572 45.100 -0.012 0.000 0.771 210 G HN 0.487 nan 8.290 nan 0.000 0.545 211 I N 1.404 121.990 120.570 0.027 0.000 2.226 211 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 211 I C 3.277 179.445 176.117 0.086 0.000 1.100 211 I CA 1.017 62.348 61.300 0.052 0.000 1.374 211 I CB -0.219 37.809 38.000 0.047 0.000 1.057 211 I HN 0.238 nan 8.210 nan 0.000 0.413 212 A N 1.336 124.210 122.820 0.089 0.000 1.933 212 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 212 A C 2.260 179.953 177.584 0.182 0.000 1.175 212 A CA 1.786 53.916 52.037 0.156 0.000 0.628 212 A CB -0.808 18.254 19.000 0.104 0.000 0.814 212 A HN 0.517 nan 8.150 nan 0.000 0.444 213 L N -1.914 119.377 121.223 0.114 0.000 2.141 213 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 213 L C 1.957 178.937 176.870 0.183 0.000 1.094 213 L CA 1.612 56.528 54.840 0.127 0.000 0.763 213 L CB -1.022 41.078 42.059 0.068 0.000 0.908 213 L HN 0.004 nan 8.230 nan 0.000 0.437 214 V N 0.834 120.853 119.914 0.176 0.000 2.453 214 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 214 V C 2.448 178.662 176.094 0.201 0.000 1.048 214 V CA 1.639 64.081 62.300 0.237 0.000 1.049 214 V CB -0.945 30.984 31.823 0.176 0.000 0.672 214 V HN 0.508 nan 8.190 nan 0.000 0.457 215 N N 0.940 119.732 118.700 0.154 0.000 2.120 215 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 215 N C 1.932 177.488 175.510 0.078 0.000 1.024 215 N CA 1.723 54.839 53.050 0.110 0.000 0.852 215 N CB -0.572 37.964 38.487 0.081 0.000 1.003 215 N HN 0.473 nan 8.380 nan 0.000 0.424 216 A N 0.410 123.299 122.820 0.114 0.000 1.883 216 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 216 A C 2.131 179.732 177.584 0.028 0.000 1.186 216 A CA 1.951 54.037 52.037 0.082 0.000 0.624 216 A CB -1.004 18.107 19.000 0.186 0.000 0.822 216 A HN 0.459 nan 8.150 nan 0.000 0.444 217 H N -0.228 118.812 119.070 -0.050 0.000 2.321 217 H HA 0.040 4.596 4.556 -0.000 0.000 0.300 217 H C 2.222 177.464 175.328 -0.143 0.000 1.087 217 H CA 2.016 57.946 56.048 -0.197 0.000 1.319 217 H CB -0.267 29.236 29.762 -0.432 0.000 1.379 217 H HN 0.397 nan 8.280 nan 0.000 0.501 218 A N -0.434 122.408 122.820 0.037 0.000 1.933 218 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 218 A C 2.715 180.289 177.584 -0.017 0.000 1.175 218 A CA 1.490 53.557 52.037 0.050 0.000 0.628 218 A CB -1.218 17.847 19.000 0.108 0.000 0.814 218 A HN 0.646 nan 8.150 nan 0.000 0.444 219 C N -1.345 117.958 119.300 0.005 0.000 2.435 219 C HA -0.022 4.438 4.460 -0.000 0.000 0.279 219 C C 2.795 177.764 174.990 -0.034 0.000 1.321 219 C CA 1.126 60.188 59.018 0.073 0.000 1.752 219 C CB -1.276 26.533 27.740 0.114 0.000 1.959 219 C HN 0.741 nan 8.230 nan 0.000 0.500 220 R N -0.148 120.234 120.500 -0.196 0.000 2.073 220 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 220 R C 2.241 178.341 176.300 -0.333 0.000 1.134 220 R CA 1.598 57.503 56.100 -0.325 0.000 0.952 220 R CB -0.434 29.576 30.300 -0.484 0.000 0.850 220 R HN 0.596 nan 8.270 nan 0.000 0.433 221 H N 0.610 119.545 119.070 -0.225 0.000 2.326 221 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 221 H C 2.187 177.495 175.328 -0.034 0.000 1.081 221 H CA 1.687 57.648 56.048 -0.146 0.000 1.334 221 H CB -0.272 29.406 29.762 -0.139 0.000 1.385 221 H HN 0.238 nan 8.280 nan 0.000 0.504 222 L N -0.149 121.044 121.223 -0.050 0.000 2.131 222 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 222 L C 2.715 179.423 176.870 -0.269 0.000 1.092 222 L CA 1.045 55.671 54.840 -0.357 0.000 0.759 222 L CB -0.748 40.710 42.059 -1.001 0.000 0.903 222 L HN 0.304 nan 8.230 nan 0.000 0.435 223 G N -0.166 108.609 108.800 -0.042 0.000 2.408 223 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 223 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 223 G C 1.396 176.381 174.900 0.141 0.000 1.150 223 G CA 0.437 45.688 45.100 0.252 0.000 0.776 223 G HN 0.311 nan 8.290 nan 0.000 0.542 224 N N 0.079 118.756 118.700 -0.038 0.000 2.188 224 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 224 N C 1.826 177.249 175.510 -0.145 0.000 1.018 224 N CA 0.812 53.784 53.050 -0.131 0.000 0.858 224 N CB -0.310 38.038 38.487 -0.230 0.000 0.989 224 N HN 0.582 nan 8.380 nan 0.000 0.426 225 W N 1.578 122.830 121.300 -0.079 0.000 2.418 225 W HA 0.081 4.741 4.660 -0.000 0.000 0.292 225 W C 2.502 178.995 176.519 -0.043 0.000 1.213 225 W CA 1.069 58.363 57.345 -0.085 0.000 1.283 225 W CB -0.401 28.963 29.460 -0.160 0.000 1.119 225 W HN 0.019 nan 8.180 nan 0.000 0.542 226 A N -0.103 122.842 122.820 0.208 0.000 1.908 226 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 226 A C 1.997 179.669 177.584 0.146 0.000 1.181 226 A CA 2.230 54.401 52.037 0.223 0.000 0.627 226 A CB -1.139 18.084 19.000 0.372 0.000 0.818 226 A HN 0.101 nan 8.150 nan 0.000 0.445 227 V N -0.386 119.601 119.914 0.121 0.000 2.307 227 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 227 V C 3.071 179.149 176.094 -0.027 0.000 1.045 227 V CA 1.915 64.228 62.300 0.023 0.000 1.024 227 V CB -1.155 30.691 31.823 0.037 0.000 0.651 227 V HN 0.622 nan 8.190 nan 0.000 0.449 228 A N -0.341 122.458 122.820 -0.036 0.000 1.902 228 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 228 A C 2.185 179.790 177.584 0.035 0.000 1.181 228 A CA 1.757 53.761 52.037 -0.054 0.000 0.623 228 A CB -0.510 18.375 19.000 -0.192 0.000 0.818 228 A HN 0.513 nan 8.150 nan 0.000 0.443 229 L N -1.053 120.232 121.223 0.103 0.000 2.109 229 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 229 L C 2.698 179.629 176.870 0.102 0.000 1.086 229 L CA 1.542 56.458 54.840 0.126 0.000 0.760 229 L CB -0.896 41.259 42.059 0.160 0.000 0.910 229 L HN 0.316 nan 8.230 nan 0.000 0.437 230 T N 0.146 114.751 114.554 0.085 0.000 2.746 230 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 230 T C 2.048 176.847 174.700 0.166 0.000 1.039 230 T CA 1.351 63.510 62.100 0.098 0.000 1.142 230 T CB -0.150 68.724 68.868 0.010 0.000 0.866 230 T HN 0.438 nan 8.240 nan 0.000 0.444 231 A N 1.287 124.169 122.820 0.103 0.000 1.877 231 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 231 A C 2.214 179.912 177.584 0.189 0.000 1.186 231 A CA 1.229 53.387 52.037 0.202 0.000 0.620 231 A CB -0.841 18.213 19.000 0.089 0.000 0.822 231 A HN 0.396 nan 8.150 nan 0.000 0.443 232 L N -0.710 120.583 121.223 0.117 0.000 2.131 232 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 232 L C 2.221 179.145 176.870 0.091 0.000 1.092 232 L CA 1.820 56.715 54.840 0.092 0.000 0.759 232 L CB -0.676 41.429 42.059 0.077 0.000 0.903 232 L HN 0.394 nan 8.230 nan 0.000 0.435 233 L N -0.206 121.082 121.223 0.107 0.000 2.042 233 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 233 L C 2.484 179.410 176.870 0.094 0.000 1.076 233 L CA 2.080 56.975 54.840 0.092 0.000 0.749 233 L CB -0.982 41.142 42.059 0.107 0.000 0.893 233 L HN 0.255 nan 8.230 nan 0.000 0.432 234 A N -0.843 122.066 122.820 0.149 0.000 1.933 234 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 234 A C 2.125 179.729 177.584 0.034 0.000 1.175 234 A CA 1.784 53.875 52.037 0.089 0.000 0.628 234 A CB -0.609 18.470 19.000 0.132 0.000 0.814 234 A HN 0.646 nan 8.150 nan 0.000 0.444 235 E N -1.162 119.073 120.200 0.057 0.000 2.347 235 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 235 E C 1.524 178.134 176.600 0.018 0.000 1.008 235 E CA 0.818 57.236 56.400 0.030 0.000 0.852 235 E CB -0.217 29.508 29.700 0.042 0.000 0.783 235 E HN 0.685 nan 8.360 nan 0.000 0.505 236 C N -0.060 119.253 119.300 0.022 0.000 2.735 236 C HA 0.184 4.644 4.460 -0.000 0.000 0.271 236 C C 1.737 176.728 174.990 0.002 0.000 1.281 236 C CA -0.032 58.992 59.018 0.011 0.000 1.719 236 C CB -0.131 27.616 27.740 0.011 0.000 2.024 236 C HN 0.321 nan 8.230 nan 0.000 0.566 237 L N -0.230 120.994 121.223 0.002 0.000 3.122 237 L HA 0.293 4.633 4.340 -0.000 0.000 0.274 237 L C 0.417 177.274 176.870 -0.021 0.000 1.222 237 L CA -0.051 54.785 54.840 -0.007 0.000 1.028 237 L CB -0.250 41.810 42.059 0.000 0.000 1.386 237 L HN 0.214 nan 8.230 nan 0.000 0.578 238 R N 0.816 121.299 120.500 -0.027 0.000 3.333 238 R HA -0.147 4.193 4.340 -0.000 0.000 0.256 238 R C 0.702 176.956 176.300 -0.077 0.000 1.010 238 R CA 0.418 56.490 56.100 -0.047 0.000 0.680 238 R CB -1.830 28.448 30.300 -0.036 0.000 1.102 238 R HN 0.507 nan 8.270 nan 0.000 0.440 239 G N 0.631 109.373 108.800 -0.097 0.000 2.554 239 G HA2 0.155 4.115 3.960 -0.000 0.000 0.238 239 G HA3 0.155 4.115 3.960 -0.000 0.000 0.238 239 G C 0.026 174.765 174.900 -0.268 0.000 1.259 239 G CA -0.506 44.491 45.100 -0.172 0.000 0.843 239 G HN 0.239 nan 8.290 nan 0.000 0.582 240 R N 0.538 120.852 120.500 -0.310 0.000 2.202 240 R HA 0.232 4.572 4.340 -0.000 0.000 0.334 240 R C 1.567 177.542 176.300 -0.542 0.000 1.036 240 R CA 0.217 56.126 56.100 -0.318 0.000 0.878 240 R CB 0.856 31.035 30.300 -0.201 0.000 1.067 240 R HN 0.705 nan 8.270 nan 0.000 0.457 241 T N -1.212 113.069 114.554 -0.455 0.000 3.085 241 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 241 T C 1.399 175.942 174.700 -0.261 0.000 1.127 241 T CA 0.841 62.656 62.100 -0.475 0.000 1.103 241 T CB -0.038 68.707 68.868 -0.206 0.000 0.921 241 T HN 0.740 nan 8.240 nan 0.000 0.510 242 E N 1.779 121.867 120.200 -0.187 0.000 2.265 242 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 242 E C 2.197 178.768 176.600 -0.049 0.000 0.996 242 E CA 0.870 57.223 56.400 -0.078 0.000 0.832 242 E CB -0.530 29.140 29.700 -0.050 0.000 0.756 242 E HN 0.603 nan 8.360 nan 0.000 0.491 243 A N 0.740 123.484 122.820 -0.126 0.000 2.119 243 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 243 A C 0.991 178.710 177.584 0.226 0.000 1.153 243 A CA 0.594 52.627 52.037 -0.007 0.000 0.692 243 A CB -0.591 18.374 19.000 -0.059 0.000 0.799 243 A HN 0.482 nan 8.150 nan 0.000 0.458 244 W N -0.248 121.052 121.300 -0.001 0.000 3.330 244 W HA 0.588 5.248 4.660 -0.000 0.000 0.348 244 W C 0.853 177.375 176.519 0.004 0.000 1.205 244 W CA -1.068 56.278 57.345 0.002 0.000 1.841 244 W CB -1.291 28.172 29.460 0.005 0.000 1.084 244 W HN 0.341 nan 8.180 nan 0.000 0.665 245 A N 0.895 123.826 122.820 0.184 0.000 2.540 245 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 245 A C 1.701 179.341 177.584 0.092 0.000 1.061 245 A CA 0.734 52.837 52.037 0.110 0.000 0.758 245 A CB 0.538 19.576 19.000 0.064 0.000 0.991 245 A HN 0.259 nan 8.150 nan 0.000 0.502 246 A N 2.724 125.587 122.820 0.072 0.000 1.978 246 A HA 0.102 4.422 4.320 -0.000 0.000 0.220 246 A C 2.369 179.977 177.584 0.040 0.000 1.170 246 A CA 2.266 54.335 52.037 0.053 0.000 0.636 246 A CB -0.936 18.089 19.000 0.042 0.000 0.810 246 A HN 1.776 nan 8.150 nan 0.000 0.448 247 A N -0.277 122.565 122.820 0.036 0.000 1.940 247 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 247 A C 2.138 179.736 177.584 0.025 0.000 1.176 247 A CA 1.562 53.614 52.037 0.025 0.000 0.631 247 A CB -0.545 18.468 19.000 0.022 0.000 0.814 247 A HN 0.500 nan 8.150 nan 0.000 0.446 248 L N -0.646 120.598 121.223 0.036 0.000 2.093 248 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 248 L C 2.806 179.694 176.870 0.030 0.000 1.085 248 L CA 1.308 56.168 54.840 0.034 0.000 0.755 248 L CB -0.347 41.741 42.059 0.049 0.000 0.904 248 L HN 0.346 nan 8.230 nan 0.000 0.435 249 S N -0.320 115.402 115.700 0.036 0.000 2.368 249 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 249 S C 1.475 176.082 174.600 0.012 0.000 1.029 249 S CA 1.267 59.485 58.200 0.031 0.000 0.988 249 S CB -0.260 62.962 63.200 0.036 0.000 0.838 249 S HN 0.443 nan 8.310 nan 0.000 0.462 250 D N 1.488 121.894 120.400 0.009 0.000 2.218 250 D HA -0.025 4.615 4.640 -0.000 0.000 0.204 250 D C 1.729 178.021 176.300 -0.015 0.000 0.976 250 D CA 0.666 54.664 54.000 -0.003 0.000 0.853 250 D CB -0.271 40.530 40.800 0.002 0.000 0.939 250 D HN 0.329 nan 8.370 nan 0.000 0.481 251 L N -0.535 120.683 121.223 -0.009 0.000 2.217 251 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 251 L C 1.587 178.437 176.870 -0.033 0.000 1.107 251 L CA 0.565 55.395 54.840 -0.016 0.000 0.783 251 L CB 0.157 42.213 42.059 -0.006 0.000 0.919 251 L HN -0.166 nan 8.230 nan 0.000 0.442 252 R N 0.702 121.181 120.500 -0.035 0.000 2.644 252 R HA 0.187 4.527 4.340 -0.000 0.000 0.271 252 R C -2.220 174.022 176.300 -0.097 0.000 1.687 252 R CA -1.363 54.695 56.100 -0.069 0.000 1.655 252 R CB 0.873 31.173 30.300 0.001 0.000 1.285 252 R HN -0.139 nan 8.270 nan 0.000 0.643 253 P HA -0.080 nan 4.420 nan 0.000 0.297 253 P C -0.670 176.560 177.300 -0.115 0.000 1.544 253 P CA 0.243 63.282 63.100 -0.102 0.000 0.798 253 P CB -0.371 31.279 31.700 -0.084 0.000 1.757 254 H N 0.892 119.963 119.070 0.002 0.000 2.767 254 H HA 0.089 4.645 4.556 -0.000 0.000 0.316 254 H C -1.299 174.041 175.328 0.020 0.000 1.059 254 H CA -1.460 54.592 56.048 0.005 0.000 1.461 254 H CB 0.548 30.308 29.762 -0.004 0.000 1.475 254 H HN 0.090 nan 8.280 nan 0.000 0.531 255 P HA -0.170 nan 4.420 nan 0.000 0.216 255 P C 1.645 179.019 177.300 0.123 0.000 1.157 255 P CA 1.771 64.933 63.100 0.103 0.000 0.880 255 P CB 0.087 31.841 31.700 0.091 0.000 0.791 256 G N -0.539 108.353 108.800 0.152 0.000 2.432 256 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 256 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 256 G C 1.664 176.663 174.900 0.167 0.000 1.135 256 G CA 0.713 45.936 45.100 0.205 0.000 0.767 256 G HN 0.337 nan 8.290 nan 0.000 0.550 257 Q N 0.105 119.967 119.800 0.104 0.000 2.083 257 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 257 Q C 2.456 178.489 176.000 0.055 0.000 0.969 257 Q CA 1.447 57.280 55.803 0.051 0.000 0.838 257 Q CB -0.195 28.585 28.738 0.072 0.000 0.900 257 Q HN 0.503 nan 8.270 nan 0.000 0.436 258 K N 0.198 120.641 120.400 0.071 0.000 2.063 258 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 258 K C 1.667 178.298 176.600 0.052 0.000 1.048 258 K CA 1.896 58.215 56.287 0.053 0.000 0.928 258 K CB -0.173 32.355 32.500 0.047 0.000 0.713 258 K HN 0.191 nan 8.250 nan 0.000 0.442 259 D N -0.112 120.335 120.400 0.077 0.000 2.117 259 D HA -0.099 4.540 4.640 -0.000 0.000 0.198 259 D C 1.709 178.066 176.300 0.096 0.000 0.982 259 D CA 1.482 55.528 54.000 0.076 0.000 0.828 259 D CB -0.061 40.791 40.800 0.086 0.000 0.967 259 D HN 0.333 nan 8.370 nan 0.000 0.464 260 A N 0.494 123.409 122.820 0.159 0.000 1.902 260 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 260 A C 2.380 179.922 177.584 -0.071 0.000 1.181 260 A CA 2.271 54.379 52.037 0.118 0.000 0.623 260 A CB -1.094 17.896 19.000 -0.015 0.000 0.818 260 A HN 0.321 nan 8.150 nan 0.000 0.443 261 A N -0.214 122.562 122.820 -0.073 0.000 1.898 261 A HA 0.188 4.508 4.320 -0.000 0.000 0.216 261 A C 2.506 180.066 177.584 -0.040 0.000 1.181 261 A CA 2.038 54.015 52.037 -0.099 0.000 0.620 261 A CB -1.003 17.998 19.000 0.002 0.000 0.819 261 A HN 1.039 nan 8.150 nan 0.000 0.442 262 A N -0.130 122.688 122.820 -0.003 0.000 1.877 262 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 262 A C 2.239 179.816 177.584 -0.011 0.000 1.186 262 A CA 1.651 53.694 52.037 0.010 0.000 0.620 262 A CB -0.447 18.561 19.000 0.013 0.000 0.822 262 A HN 0.536 nan 8.150 nan 0.000 0.443 263 R N -0.633 119.849 120.500 -0.030 0.000 2.092 263 R HA 0.019 4.358 4.340 -0.000 0.000 0.231 263 R C 2.048 178.299 176.300 -0.083 0.000 1.119 263 R CA 1.278 57.349 56.100 -0.048 0.000 0.970 263 R CB -0.452 29.826 30.300 -0.037 0.000 0.864 263 R HN 0.508 nan 8.270 nan 0.000 0.440 264 L N 0.166 121.287 121.223 -0.170 0.000 2.046 264 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 264 L C 2.545 179.398 176.870 -0.028 0.000 1.077 264 L CA 1.425 56.076 54.840 -0.315 0.000 0.747 264 L CB -0.329 41.177 42.059 -0.921 0.000 0.896 264 L HN 0.159 nan 8.230 nan 0.000 0.432 265 R N -0.195 120.348 120.500 0.072 0.000 2.081 265 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 265 R C 2.384 178.744 176.300 0.099 0.000 1.131 265 R CA 1.390 57.592 56.100 0.171 0.000 0.960 265 R CB -0.525 29.857 30.300 0.136 0.000 0.856 265 R HN 0.365 nan 8.270 nan 0.000 0.436 266 A N 1.285 124.130 122.820 0.043 0.000 1.902 266 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 266 A C 2.042 179.638 177.584 0.021 0.000 1.181 266 A CA 1.041 53.092 52.037 0.022 0.000 0.623 266 A CB -0.255 18.743 19.000 -0.003 0.000 0.818 266 A HN 0.102 nan 8.150 nan 0.000 0.443 267 R N -0.157 120.352 120.500 0.014 0.000 2.105 267 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 267 R C 1.886 178.218 176.300 0.053 0.000 1.135 267 R CA 1.754 57.861 56.100 0.013 0.000 0.967 267 R CB -1.305 28.992 30.300 -0.005 0.000 0.861 267 R HN 0.672 nan 8.270 nan 0.000 0.442 268 V N -0.960 119.017 119.914 0.105 0.000 3.596 268 V HA 0.123 4.243 4.120 -0.000 0.000 0.289 268 V C 0.243 176.379 176.094 0.070 0.000 1.336 268 V CA -0.618 61.749 62.300 0.111 0.000 1.137 268 V CB -0.393 31.544 31.823 0.189 0.000 0.966 268 V HN -0.115 nan 8.190 nan 0.000 0.428 269 D N 1.581 122.014 120.400 0.055 0.000 2.458 269 D HA 0.416 5.056 4.640 -0.000 0.000 0.243 269 D C 1.447 177.760 176.300 0.022 0.000 1.146 269 D CA 1.834 55.855 54.000 0.035 0.000 0.877 269 D CB 0.717 41.533 40.800 0.028 0.000 1.176 269 D HN 0.556 nan 8.370 nan 0.000 0.461 270 G N 2.367 111.176 108.800 0.014 0.000 2.176 270 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 270 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 270 G C 0.464 175.368 174.900 0.006 0.000 0.979 270 G CA 0.423 45.528 45.100 0.008 0.000 0.641 270 G HN 0.798 nan 8.290 nan 0.000 0.530 271 S N 0.042 115.747 115.700 0.009 0.000 2.565 271 S HA 0.683 5.153 4.470 -0.000 0.000 0.276 271 S C 1.216 175.809 174.600 -0.012 0.000 1.326 271 S CA 0.778 58.981 58.200 0.005 0.000 1.045 271 S CB 1.384 64.593 63.200 0.015 0.000 0.918 271 S HN 1.614 nan 8.310 nan 0.000 0.505 272 A N 4.967 127.779 122.820 -0.013 0.000 2.470 272 A HA 0.344 4.664 4.320 -0.000 0.000 0.251 272 A C 1.622 179.189 177.584 -0.029 0.000 1.245 272 A CA -0.356 51.666 52.037 -0.024 0.000 0.932 272 A CB 0.105 19.096 19.000 -0.015 0.000 1.037 272 A HN 0.724 nan 8.150 nan 0.000 0.522 273 R N -0.035 120.452 120.500 -0.023 0.000 2.312 273 R HA 0.127 4.467 4.340 -0.000 0.000 0.205 273 R C 0.531 176.807 176.300 -0.040 0.000 0.904 273 R CA 0.730 56.816 56.100 -0.023 0.000 1.052 273 R CB -0.168 30.128 30.300 -0.007 0.000 1.014 273 R HN 0.484 nan 8.270 nan 0.000 0.503 274 V N -1.789 118.091 119.914 -0.057 0.000 2.834 274 V HA 0.499 4.619 4.120 -0.000 0.000 0.313 274 V C 0.447 176.465 176.094 -0.127 0.000 1.060 274 V CA -1.023 61.221 62.300 -0.094 0.000 0.989 274 V CB 2.203 33.965 31.823 -0.103 0.000 1.041 274 V HN -0.272 nan 8.190 nan 0.000 0.459 275 V N 3.977 123.800 119.914 -0.151 0.000 2.406 275 V HA 0.432 4.552 4.120 -0.000 0.000 0.272 275 V C 1.080 177.053 176.094 -0.201 0.000 1.043 275 V CA -0.173 62.024 62.300 -0.171 0.000 0.915 275 V CB 0.649 32.405 31.823 -0.111 0.000 0.988 275 V HN 0.939 nan 8.190 nan 0.000 0.466 276 R N 1.589 121.925 120.500 -0.272 0.000 2.365 276 R HA 0.211 4.551 4.340 -0.000 0.000 0.223 276 R C 0.103 176.320 176.300 -0.138 0.000 0.899 276 R CA -0.173 55.805 56.100 -0.203 0.000 1.059 276 R CB 0.222 30.414 30.300 -0.180 0.000 1.086 276 R HN 0.756 nan 8.270 nan 0.000 0.522 277 H N 0.183 119.227 119.070 -0.044 0.000 2.848 277 H HA 0.062 4.618 4.556 -0.000 0.000 0.341 277 H C -0.234 175.072 175.328 -0.038 0.000 1.060 277 H CA -0.404 55.624 56.048 -0.034 0.000 1.444 277 H CB 1.102 30.846 29.762 -0.031 0.000 1.446 277 H HN -0.184 nan 8.280 nan 0.000 0.583 278 V N 6.006 125.984 119.914 0.107 0.000 2.408 278 V HA -0.048 4.072 4.120 -0.000 0.000 0.267 278 V C 1.689 177.803 176.094 0.034 0.000 1.047 278 V CA 0.035 62.361 62.300 0.043 0.000 0.937 278 V CB 0.134 31.974 31.823 0.028 0.000 0.999 278 V HN 0.744 nan 8.190 nan 0.000 0.472 279 I N 3.213 123.795 120.570 0.021 0.000 2.335 279 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 279 I C 2.090 178.204 176.117 -0.005 0.000 1.129 279 I CA 1.962 63.266 61.300 0.006 0.000 1.402 279 I CB -0.262 37.739 38.000 0.002 0.000 1.069 279 I HN 0.555 nan 8.210 nan 0.000 0.424 280 A N 0.931 123.750 122.820 -0.001 0.000 2.172 280 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 280 A C 2.117 179.696 177.584 -0.008 0.000 1.154 280 A CA 1.055 53.090 52.037 -0.004 0.000 0.701 280 A CB -0.512 18.487 19.000 -0.001 0.000 0.789 280 A HN 0.511 nan 8.150 nan 0.000 0.465 281 E N 0.011 120.204 120.200 -0.010 0.000 2.208 281 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 281 E C 1.116 177.698 176.600 -0.030 0.000 0.988 281 E CA 0.211 56.601 56.400 -0.017 0.000 0.828 281 E CB -0.190 29.500 29.700 -0.016 0.000 0.763 281 E HN 0.623 nan 8.360 nan 0.000 0.478 282 R N 1.695 122.173 120.500 -0.036 0.000 2.347 282 R HA 0.098 4.438 4.340 -0.000 0.000 0.304 282 R C -0.355 175.928 176.300 -0.028 0.000 1.072 282 R CA -0.051 56.024 56.100 -0.042 0.000 0.980 282 R CB 0.447 30.717 30.300 -0.049 0.000 0.986 282 R HN -0.134 nan 8.270 nan 0.000 0.448 283 R N 5.171 125.654 120.500 -0.027 0.000 2.294 283 R HA 0.288 4.628 4.340 -0.000 0.000 0.319 283 R C -0.476 175.812 176.300 -0.020 0.000 0.984 283 R CA -0.630 55.458 56.100 -0.020 0.000 0.861 283 R CB 1.221 31.511 30.300 -0.018 0.000 1.104 283 R HN 0.476 nan 8.270 nan 0.000 0.451 284 L N 2.860 124.074 121.223 -0.016 0.000 2.350 284 L HA 0.283 4.623 4.340 -0.000 0.000 0.275 284 L C 0.238 177.101 176.870 -0.012 0.000 1.099 284 L CA -0.291 54.540 54.840 -0.015 0.000 0.808 284 L CB 0.771 42.823 42.059 -0.012 0.000 1.149 284 L HN 0.433 nan 8.230 nan 0.000 0.442 285 D N 0.801 121.193 120.400 -0.012 0.000 2.326 285 D HA 0.299 4.939 4.640 -0.000 0.000 0.248 285 D C 0.649 176.944 176.300 -0.009 0.000 1.001 285 D CA -0.338 53.656 54.000 -0.010 0.000 0.961 285 D CB 2.097 42.890 40.800 -0.011 0.000 1.183 285 D HN 0.571 nan 8.370 nan 0.000 0.502 286 A N 1.283 124.099 122.820 -0.007 0.000 1.917 286 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 286 A C 1.966 179.547 177.584 -0.007 0.000 1.182 286 A CA 2.319 54.352 52.037 -0.006 0.000 0.633 286 A CB -1.094 17.902 19.000 -0.005 0.000 0.819 286 A HN 0.662 nan 8.150 nan 0.000 0.448 287 G N -0.769 108.027 108.800 -0.007 0.000 2.498 287 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 287 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 287 G C 0.993 175.889 174.900 -0.008 0.000 1.119 287 G CA 1.117 46.212 45.100 -0.007 0.000 0.766 287 G HN 0.534 nan 8.290 nan 0.000 0.552 288 D N 0.348 120.743 120.400 -0.009 0.000 2.249 288 D HA -0.007 4.633 4.640 -0.000 0.000 0.205 288 D C 1.175 177.470 176.300 -0.008 0.000 0.962 288 D CA 0.022 54.016 54.000 -0.010 0.000 0.860 288 D CB 0.234 41.027 40.800 -0.012 0.000 0.955 288 D HN 0.134 nan 8.370 nan 0.000 0.505 289 I N 1.512 122.077 120.570 -0.007 0.000 2.742 289 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 289 I C 1.390 177.504 176.117 -0.005 0.000 1.186 289 I CA 0.923 62.220 61.300 -0.006 0.000 1.417 289 I CB -0.289 37.708 38.000 -0.005 0.000 1.377 289 I HN 0.011 nan 8.210 nan 0.000 0.556 290 G N 5.561 114.358 108.800 -0.005 0.000 2.367 290 G HA2 0.144 4.104 3.960 -0.000 0.000 0.272 290 G HA3 0.144 4.104 3.960 -0.000 0.000 0.272 290 G C -1.107 173.791 174.900 -0.005 0.000 1.271 290 G CA -0.692 44.405 45.100 -0.005 0.000 0.893 290 G HN 0.386 nan 8.290 nan 0.000 0.485 291 T N 2.063 116.614 114.554 -0.005 0.000 2.744 291 T HA 0.537 4.887 4.350 -0.000 0.000 0.291 291 T C -0.087 174.610 174.700 -0.005 0.000 0.957 291 T CA -0.165 61.932 62.100 -0.005 0.000 1.002 291 T CB 1.201 70.066 68.868 -0.005 0.000 0.919 291 T HN 0.427 nan 8.240 nan 0.000 0.468 292 E N 3.301 123.498 120.200 -0.005 0.000 2.283 292 E HA 0.185 4.535 4.350 -0.000 0.000 0.267 292 E C -1.293 175.304 176.600 -0.006 0.000 1.045 292 E CA -2.014 54.383 56.400 -0.006 0.000 0.884 292 E CB 0.714 30.411 29.700 -0.006 0.000 1.106 292 E HN 0.331 nan 8.360 nan 0.000 0.408 293 P HA -0.158 nan 4.420 nan 0.000 0.216 293 P C -0.537 176.759 177.300 -0.006 0.000 1.153 293 P CA 1.478 64.574 63.100 -0.005 0.000 0.858 293 P CB 0.297 31.994 31.700 -0.005 0.000 0.789 294 E N -1.593 118.604 120.200 -0.006 0.000 2.343 294 E HA 0.600 4.950 4.350 -0.000 0.000 0.270 294 E C -0.971 175.626 176.600 -0.005 0.000 0.895 294 E CA -1.157 55.239 56.400 -0.007 0.000 0.767 294 E CB 2.120 31.816 29.700 -0.007 0.000 1.248 294 E HN -0.099 nan 8.360 nan 0.000 0.440 295 A N 0.641 123.459 122.820 -0.005 0.000 2.366 295 A HA 0.435 4.755 4.320 -0.000 0.000 0.249 295 A C 1.173 178.756 177.584 -0.001 0.000 1.084 295 A CA 0.321 52.357 52.037 -0.002 0.000 0.794 295 A CB 0.165 19.166 19.000 0.001 0.000 1.034 295 A HN 0.789 nan 8.150 nan 0.000 0.491 296 G N -0.457 108.343 108.800 0.001 0.000 2.776 296 G HA2 0.246 4.206 3.960 -0.000 0.000 0.209 296 G HA3 0.246 4.206 3.960 -0.000 0.000 0.209 296 G C 0.492 175.390 174.900 -0.003 0.000 1.145 296 G CA 0.433 45.532 45.100 -0.001 0.000 0.791 296 G HN 0.732 nan 8.290 nan 0.000 0.530 297 Q N -0.110 119.693 119.800 0.004 0.000 2.451 297 Q HA 0.347 4.687 4.340 -0.000 0.000 0.281 297 Q C -1.442 174.567 176.000 0.015 0.000 1.099 297 Q CA -1.042 54.766 55.803 0.008 0.000 0.806 297 Q CB 1.958 30.716 28.738 0.033 0.000 1.419 297 Q HN 0.021 nan 8.270 nan 0.000 0.427 298 D N 0.473 120.881 120.400 0.015 0.000 2.387 298 D HA 0.423 5.063 4.640 -0.000 0.000 0.251 298 D C -0.285 176.071 176.300 0.094 0.000 1.141 298 D CA -0.231 53.786 54.000 0.029 0.000 0.987 298 D CB 0.942 41.744 40.800 0.003 0.000 1.116 298 D HN 0.621 nan 8.370 nan 0.000 0.491 299 A N 0.348 123.218 122.820 0.083 0.000 2.386 299 A HA 0.012 4.332 4.320 -0.000 0.000 0.246 299 A C 0.622 178.358 177.584 0.254 0.000 1.089 299 A CA -0.063 52.036 52.037 0.104 0.000 0.790 299 A CB -0.085 18.934 19.000 0.032 0.000 1.042 299 A HN 0.537 nan 8.150 nan 0.000 0.497 300 Y N 1.008 121.324 120.300 0.027 0.000 2.207 300 Y HA -0.216 4.334 4.550 -0.000 0.000 0.287 300 Y C 2.953 178.886 175.900 0.054 0.000 1.156 300 Y CA 1.660 59.782 58.100 0.037 0.000 1.182 300 Y CB -1.359 37.114 38.460 0.022 0.000 0.979 300 Y HN 0.756 nan 8.280 nan 0.000 0.521 301 S N -0.938 114.889 115.700 0.213 0.000 2.493 301 S HA -0.136 4.334 4.470 -0.000 0.000 0.243 301 S C 1.820 176.521 174.600 0.169 0.000 0.991 301 S CA 1.257 59.547 58.200 0.149 0.000 0.957 301 S CB -0.600 62.663 63.200 0.106 0.000 0.756 301 S HN 0.467 nan 8.310 nan 0.000 0.521 302 L N -0.340 121.002 121.223 0.198 0.000 2.519 302 L HA 0.353 4.693 4.340 -0.000 0.000 0.194 302 L C 2.771 179.851 176.870 0.350 0.000 1.072 302 L CA 0.239 55.244 54.840 0.275 0.000 0.845 302 L CB -0.235 41.928 42.059 0.174 0.000 1.138 302 L HN 0.161 nan 8.230 nan 0.000 0.487 303 R N -0.076 120.550 120.500 0.209 0.000 2.096 303 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 303 R C 1.576 177.970 176.300 0.156 0.000 1.127 303 R CA 1.807 58.005 56.100 0.162 0.000 0.968 303 R CB -0.209 30.145 30.300 0.090 0.000 0.861 303 R HN 0.393 nan 8.270 nan 0.000 0.440 304 C N 0.359 119.704 119.300 0.076 0.000 2.614 304 C HA 0.423 4.883 4.460 -0.000 0.000 0.299 304 C C 2.119 177.112 174.990 0.005 0.000 1.293 304 C CA -0.357 58.644 59.018 -0.027 0.000 1.713 304 C CB -0.509 27.117 27.740 -0.191 0.000 1.890 304 C HN 0.620 nan 8.230 nan 0.000 0.602 305 A N 2.656 125.522 122.820 0.078 0.000 1.908 305 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 305 A C 0.039 177.535 177.584 -0.147 0.000 1.181 305 A CA 1.745 53.766 52.037 -0.028 0.000 0.627 305 A CB -1.548 17.440 19.000 -0.020 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.147 nan 4.420 nan 0.000 0.216 306 P C 1.234 178.454 177.300 -0.133 0.000 1.150 306 P CA 1.459 64.462 63.100 -0.162 0.000 0.837 306 P CB -0.034 31.618 31.700 -0.079 0.000 0.786 307 Q N -1.028 118.715 119.800 -0.096 0.000 2.083 307 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 307 Q C 2.127 178.038 176.000 -0.149 0.000 0.969 307 Q CA 1.160 56.902 55.803 -0.101 0.000 0.838 307 Q CB -1.329 27.359 28.738 -0.083 0.000 0.900 307 Q HN 0.092 nan 8.270 nan 0.000 0.436 308 V N 0.319 120.143 119.914 -0.151 0.000 2.283 308 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 308 V C 2.082 178.018 176.094 -0.263 0.000 1.039 308 V CA 1.411 63.610 62.300 -0.167 0.000 1.016 308 V CB -0.581 31.172 31.823 -0.116 0.000 0.650 308 V HN 0.298 nan 8.190 nan 0.000 0.449 309 L N 0.578 121.595 121.223 -0.343 0.000 2.046 309 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 309 L C 2.668 178.998 176.870 -0.899 0.000 1.077 309 L CA 1.805 56.247 54.840 -0.663 0.000 0.747 309 L CB -1.225 40.434 42.059 -0.666 0.000 0.896 309 L HN 0.488 nan 8.230 nan 0.000 0.432 310 G N -0.381 108.119 108.800 -0.499 0.000 2.442 310 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 310 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 310 G C 1.762 176.561 174.900 -0.169 0.000 1.141 310 G CA 0.841 45.783 45.100 -0.263 0.000 0.763 310 G HN 0.477 nan 8.290 nan 0.000 0.554 311 A N 0.756 123.453 122.820 -0.205 0.000 1.930 311 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 311 A C 2.682 180.203 177.584 -0.104 0.000 1.175 311 A CA 1.969 53.907 52.037 -0.166 0.000 0.627 311 A CB -0.909 17.982 19.000 -0.181 0.000 0.815 311 A HN 0.497 nan 8.150 nan 0.000 0.443 312 G N -1.111 107.592 108.800 -0.161 0.000 2.408 312 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 312 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 312 G C 1.269 176.256 174.900 0.145 0.000 1.150 312 G CA 0.995 46.051 45.100 -0.073 0.000 0.776 312 G HN 0.378 nan 8.290 nan 0.000 0.542 313 F N 1.675 121.631 119.950 0.009 0.000 2.186 313 F HA 0.053 4.580 4.527 -0.000 0.000 0.299 313 F C 2.255 178.081 175.800 0.044 0.000 1.090 313 F CA 0.290 58.307 58.000 0.029 0.000 1.307 313 F CB -0.560 38.451 39.000 0.017 0.000 1.019 313 F HN 0.116 nan 8.300 nan 0.000 0.489 314 D N -0.631 119.897 120.400 0.214 0.000 2.224 314 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 314 D C 2.172 178.582 176.300 0.183 0.000 0.965 314 D CA 1.274 55.367 54.000 0.156 0.000 0.852 314 D CB -0.275 40.568 40.800 0.071 0.000 0.947 314 D HN 0.204 nan 8.370 nan 0.000 0.494 315 T N 1.096 115.753 114.554 0.170 0.000 2.812 315 T HA -0.093 4.257 4.350 -0.000 0.000 0.264 315 T C 1.896 176.764 174.700 0.280 0.000 1.042 315 T CA 0.279 62.519 62.100 0.234 0.000 1.140 315 T CB -0.136 68.822 68.868 0.150 0.000 0.870 315 T HN 0.038 nan 8.240 nan 0.000 0.445 316 L N 1.564 122.912 121.223 0.208 0.000 2.083 316 L HA 0.118 4.458 4.340 -0.000 0.000 0.209 316 L C 2.559 179.547 176.870 0.197 0.000 1.083 316 L CA 1.675 56.612 54.840 0.162 0.000 0.752 316 L CB -0.989 41.148 42.059 0.131 0.000 0.899 316 L HN 0.213 nan 8.230 nan 0.000 0.433 317 A N -1.201 121.738 122.820 0.198 0.000 1.902 317 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 317 A C 2.125 179.849 177.584 0.233 0.000 1.181 317 A CA 1.732 53.875 52.037 0.177 0.000 0.623 317 A CB -1.429 17.667 19.000 0.159 0.000 0.818 317 A HN 0.729 nan 8.150 nan 0.000 0.443 318 W N 0.415 121.774 121.300 0.098 0.000 2.355 318 W HA -0.189 4.470 4.660 -0.000 0.000 0.309 318 W C 2.280 178.865 176.519 0.111 0.000 1.206 318 W CA 1.959 59.357 57.345 0.089 0.000 1.284 318 W CB -0.782 28.725 29.460 0.077 0.000 1.145 318 W HN 0.630 nan 8.180 nan 0.000 0.502 319 H N 0.218 119.235 119.070 -0.088 0.000 2.319 319 H HA -0.182 4.374 4.556 -0.000 0.000 0.297 319 H C 1.391 176.608 175.328 -0.185 0.000 1.097 319 H CA 2.448 58.338 56.048 -0.263 0.000 1.285 319 H CB -0.577 29.140 29.762 -0.075 0.000 1.368 319 H HN 0.074 nan 8.280 nan 0.000 0.495 320 D N 0.261 120.719 120.400 0.097 0.000 2.178 320 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 320 D C 2.602 178.873 176.300 -0.047 0.000 0.974 320 D CA 0.569 54.595 54.000 0.042 0.000 0.841 320 D CB -0.236 40.628 40.800 0.107 0.000 0.953 320 D HN 0.384 nan 8.370 nan 0.000 0.478 321 R N 0.267 120.747 120.500 -0.034 0.000 2.066 321 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 321 R C 2.305 178.546 176.300 -0.098 0.000 1.131 321 R CA 0.712 56.801 56.100 -0.020 0.000 0.955 321 R CB -0.357 29.979 30.300 0.060 0.000 0.851 321 R HN 0.099 nan 8.270 nan 0.000 0.432 322 V N 1.326 121.100 119.914 -0.235 0.000 2.307 322 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 322 V C 2.210 178.152 176.094 -0.253 0.000 1.045 322 V CA 1.359 63.496 62.300 -0.272 0.000 1.024 322 V CB -0.431 31.111 31.823 -0.468 0.000 0.651 322 V HN 0.234 nan 8.190 nan 0.000 0.449 323 L N 0.082 121.114 121.223 -0.318 0.000 2.083 323 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 323 L C 2.427 179.207 176.870 -0.150 0.000 1.083 323 L CA 2.384 57.064 54.840 -0.267 0.000 0.752 323 L CB -1.007 40.847 42.059 -0.341 0.000 0.899 323 L HN 0.338 nan 8.230 nan 0.000 0.433 324 T N -0.139 114.352 114.554 -0.105 0.000 2.746 324 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 324 T C 1.966 176.645 174.700 -0.036 0.000 1.039 324 T CA 1.941 64.012 62.100 -0.048 0.000 1.142 324 T CB -0.274 68.606 68.868 0.020 0.000 0.866 324 T HN 0.327 nan 8.240 nan 0.000 0.444 325 I N 0.653 121.191 120.570 -0.055 0.000 2.202 325 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 325 I C 2.720 178.781 176.117 -0.093 0.000 1.091 325 I CA 1.249 62.514 61.300 -0.059 0.000 1.368 325 I CB -0.320 37.623 38.000 -0.095 0.000 1.058 325 I HN 0.207 nan 8.210 nan 0.000 0.410 326 E N 1.405 121.526 120.200 -0.130 0.000 2.051 326 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 326 E C 2.047 178.593 176.600 -0.090 0.000 0.991 326 E CA 1.346 57.672 56.400 -0.124 0.000 0.799 326 E CB -0.306 29.315 29.700 -0.131 0.000 0.748 326 E HN 0.299 nan 8.360 nan 0.000 0.449 327 L N 1.033 122.202 121.223 -0.090 0.000 2.079 327 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 327 L C 1.229 178.051 176.870 -0.081 0.000 1.081 327 L CA 1.878 56.667 54.840 -0.083 0.000 0.752 327 L CB -0.461 41.542 42.059 -0.094 0.000 0.896 327 L HN 0.162 nan 8.230 nan 0.000 0.433 328 N N -0.174 118.480 118.700 -0.077 0.000 2.322 328 N HA 0.192 4.932 4.740 -0.000 0.000 0.194 328 N C 0.331 175.826 175.510 -0.026 0.000 1.126 328 N CA 0.623 53.642 53.050 -0.053 0.000 0.845 328 N CB 0.247 38.723 38.487 -0.019 0.000 0.976 328 N HN 0.438 nan 8.380 nan 0.000 0.475 329 A N 0.218 123.013 122.820 -0.043 0.000 2.247 329 A HA 0.606 4.926 4.320 -0.000 0.000 0.313 329 A C -0.045 177.516 177.584 -0.038 0.000 1.109 329 A CA -0.396 51.615 52.037 -0.044 0.000 0.890 329 A CB 1.009 19.967 19.000 -0.070 0.000 1.239 329 A HN -0.045 nan 8.150 nan 0.000 0.506 330 V N 1.079 120.970 119.914 -0.038 0.000 2.328 330 V HA 0.322 4.442 4.120 -0.000 0.000 0.278 330 V C 0.828 176.899 176.094 -0.038 0.000 1.021 330 V CA 0.372 62.654 62.300 -0.030 0.000 0.838 330 V CB 0.734 32.540 31.823 -0.027 0.000 0.999 330 V HN 1.032 nan 8.190 nan 0.000 0.447 331 T N -0.741 113.800 114.554 -0.021 0.000 3.186 331 T HA 0.200 4.550 4.350 -0.000 0.000 0.257 331 T C 0.158 174.879 174.700 0.035 0.000 1.029 331 T CA -0.535 61.559 62.100 -0.010 0.000 0.916 331 T CB -0.331 68.541 68.868 0.007 0.000 1.041 331 T HN 0.540 nan 8.240 nan 0.000 0.562 332 D N 2.561 122.972 120.400 0.018 0.000 2.357 332 D HA 0.481 5.121 4.640 -0.000 0.000 0.242 332 D C -0.095 176.222 176.300 0.029 0.000 1.153 332 D CA 0.073 54.097 54.000 0.039 0.000 0.918 332 D CB 0.469 41.272 40.800 0.006 0.000 1.181 332 D HN 0.326 nan 8.370 nan 0.000 0.435 333 N N 0.191 118.940 118.700 0.082 0.000 2.503 333 N HA 0.305 5.045 4.740 -0.000 0.000 0.287 333 N C -2.924 172.618 175.510 0.053 0.000 1.096 333 N CA -1.366 51.709 53.050 0.042 0.000 0.936 333 N CB 1.937 40.573 38.487 0.249 0.000 1.570 333 N HN 0.029 nan 8.380 nan 0.000 0.504 334 P HA 0.351 nan 4.420 nan 0.000 0.282 334 P C -0.928 176.042 177.300 -0.549 0.000 1.287 334 P CA -0.479 62.356 63.100 -0.441 0.000 0.792 334 P CB 1.042 32.285 31.700 -0.761 0.000 1.163 335 V N -3.606 115.914 119.914 -0.656 0.000 2.914 335 V HA 0.633 4.753 4.120 -0.000 0.000 0.314 335 V C -1.009 174.617 176.094 -0.780 0.000 1.084 335 V CA -0.937 60.996 62.300 -0.611 0.000 0.963 335 V CB 1.589 33.254 31.823 -0.263 0.000 1.025 335 V HN 0.220 nan 8.190 nan 0.000 0.432 336 F N 2.075 122.009 119.950 -0.026 0.000 2.311 336 F HA 0.605 5.132 4.527 -0.000 0.000 0.371 336 F C -2.383 173.411 175.800 -0.010 0.000 1.083 336 F CA -2.591 55.400 58.000 -0.014 0.000 1.113 336 F CB 1.146 40.144 39.000 -0.003 0.000 1.349 336 F HN 0.297 nan 8.300 nan 0.000 0.470 337 P HA -0.023 nan 4.420 nan 0.000 0.258 337 P C -1.984 175.359 177.300 0.070 0.000 1.172 337 P CA -0.576 62.556 63.100 0.053 0.000 0.762 337 P CB 0.420 32.140 31.700 0.033 0.000 0.764 338 P HA -0.163 nan 4.420 nan 0.000 0.220 338 P C 0.843 178.163 177.300 0.033 0.000 1.148 338 P CA 1.269 64.396 63.100 0.045 0.000 0.803 338 P CB -0.100 31.619 31.700 0.032 0.000 0.782 339 D N -1.341 119.075 120.400 0.028 0.000 2.363 339 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 339 D C 1.451 177.767 176.300 0.026 0.000 0.994 339 D CA 0.848 54.861 54.000 0.022 0.000 0.890 339 D CB -1.247 39.562 40.800 0.016 0.000 0.906 339 D HN 0.182 nan 8.370 nan 0.000 0.530 340 G N 0.203 109.025 108.800 0.037 0.000 2.166 340 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 340 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 340 G C 1.232 176.154 174.900 0.037 0.000 0.986 340 G CA 1.177 46.301 45.100 0.040 0.000 0.683 340 G HN 0.623 nan 8.290 nan 0.000 0.527 341 S N -1.387 114.333 115.700 0.032 0.000 2.359 341 S HA 0.181 4.651 4.470 -0.000 0.000 0.224 341 S C 1.236 175.856 174.600 0.033 0.000 1.035 341 S CA 1.923 60.139 58.200 0.027 0.000 1.018 341 S CB -0.448 62.763 63.200 0.019 0.000 0.876 341 S HN 2.012 nan 8.310 nan 0.000 0.448 342 V N -3.358 116.582 119.914 0.043 0.000 3.078 342 V HA 0.560 4.680 4.120 -0.000 0.000 0.311 342 V C -2.508 173.634 176.094 0.080 0.000 1.138 342 V CA -2.168 60.164 62.300 0.053 0.000 1.007 342 V CB 1.162 33.012 31.823 0.045 0.000 1.045 342 V HN -0.111 nan 8.190 nan 0.000 0.432 343 P HA 0.216 nan 4.420 nan 0.000 0.217 343 P C 0.270 177.702 177.300 0.219 0.000 1.150 343 P CA 2.141 65.331 63.100 0.150 0.000 0.832 343 P CB 0.161 31.947 31.700 0.143 0.000 0.787 344 A N -2.059 120.841 122.820 0.134 0.000 2.597 344 A HA 0.613 4.933 4.320 -0.000 0.000 0.292 344 A C -1.905 175.652 177.584 -0.044 0.000 1.057 344 A CA -0.559 51.478 52.037 -0.001 0.000 0.674 344 A CB 0.354 19.333 19.000 -0.034 0.000 1.278 344 A HN -0.053 nan 8.150 nan 0.000 0.416 345 L N 1.196 122.304 121.223 -0.192 0.000 2.346 345 L HA 0.631 4.971 4.340 -0.000 0.000 0.274 345 L C -1.006 175.709 176.870 -0.259 0.000 1.007 345 L CA -0.717 54.057 54.840 -0.110 0.000 0.818 345 L CB 2.196 44.195 42.059 -0.100 0.000 1.284 345 L HN 0.852 nan 8.230 nan 0.000 0.424 346 H N 1.009 120.017 119.070 -0.103 0.000 2.505 346 H HA 0.766 5.322 4.556 -0.000 0.000 0.338 346 H C 0.156 175.421 175.328 -0.105 0.000 1.057 346 H CA -0.169 55.817 56.048 -0.103 0.000 1.202 346 H CB 2.019 31.722 29.762 -0.099 0.000 1.466 346 H HN 0.741 nan 8.280 nan 0.000 0.499 347 G N 0.622 109.397 108.800 -0.042 0.000 2.726 347 G HA2 0.443 4.403 3.960 -0.000 0.000 0.198 347 G HA3 0.443 4.403 3.960 -0.000 0.000 0.198 347 G C -0.359 174.388 174.900 -0.255 0.000 1.195 347 G CA -0.247 44.786 45.100 -0.113 0.000 0.951 347 G HN 0.698 nan 8.290 nan 0.000 0.532 348 G N 0.100 108.628 108.800 -0.453 0.000 4.885 348 G HA2 0.313 4.273 3.960 -0.000 0.000 0.263 348 G HA3 0.313 4.273 3.960 -0.000 0.000 0.263 348 G C 0.164 174.470 174.900 -0.991 0.000 1.168 348 G CA -0.136 44.312 45.100 -1.087 0.000 0.906 348 G HN 0.256 nan 8.290 nan 0.000 0.575 349 N N 0.838 119.176 118.700 -0.602 0.000 2.609 349 N HA -0.032 4.708 4.740 -0.000 0.000 0.190 349 N C 1.504 176.876 175.510 -0.231 0.000 1.157 349 N CA 0.279 53.134 53.050 -0.325 0.000 0.918 349 N CB -0.142 38.238 38.487 -0.179 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.215 118.717 119.950 -0.029 0.000 2.789 350 F HA 0.328 4.855 4.527 -0.000 0.000 0.300 350 F C 0.827 176.623 175.800 -0.006 0.000 1.132 350 F CA -0.781 57.206 58.000 -0.020 0.000 1.404 350 F CB -0.718 38.270 39.000 -0.020 0.000 1.114 350 F HN -0.163 nan 8.300 nan 0.000 0.584 351 M N 2.760 122.357 119.600 -0.005 0.000 2.350 351 M HA 0.346 4.826 4.480 -0.000 0.000 0.338 351 M C 0.980 177.330 176.300 0.083 0.000 1.559 351 M CA -0.531 54.833 55.300 0.106 0.000 1.217 351 M CB 0.175 32.754 32.600 -0.035 0.000 1.808 351 M HN 0.238 nan 8.290 nan 0.000 0.458 352 G N 3.490 112.355 108.800 0.109 0.000 3.452 352 G HA2 0.026 3.986 3.960 -0.000 0.000 0.258 352 G HA3 0.026 3.986 3.960 -0.000 0.000 0.258 352 G C 0.696 175.634 174.900 0.063 0.000 1.305 352 G CA -0.185 44.962 45.100 0.078 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N 0.029 119.863 119.800 0.057 0.000 2.167 353 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 353 Q C 1.933 177.906 176.000 -0.045 0.000 0.970 353 Q CA 1.490 57.293 55.803 0.000 0.000 0.855 353 Q CB -0.140 28.576 28.738 -0.037 0.000 0.911 353 Q HN 0.723 nan 8.270 nan 0.000 0.438 354 H N -1.766 117.281 119.070 -0.038 0.000 2.321 354 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 354 H C 1.784 177.031 175.328 -0.135 0.000 1.087 354 H CA 1.743 57.742 56.048 -0.082 0.000 1.319 354 H CB 0.049 29.750 29.762 -0.103 0.000 1.379 354 H HN 0.071 nan 8.280 nan 0.000 0.501 355 V N 0.404 120.327 119.914 0.014 0.000 2.548 355 V HA -0.188 3.932 4.120 -0.000 0.000 0.249 355 V C 2.444 178.526 176.094 -0.021 0.000 1.055 355 V CA 1.313 63.581 62.300 -0.053 0.000 1.065 355 V CB -0.806 30.997 31.823 -0.034 0.000 0.681 355 V HN 0.561 nan 8.190 nan 0.000 0.462 356 A N 0.066 122.888 122.820 0.004 0.000 1.858 356 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 356 A C 2.192 179.789 177.584 0.022 0.000 1.190 356 A CA 1.716 53.766 52.037 0.021 0.000 0.617 356 A CB -0.515 18.500 19.000 0.024 0.000 0.827 356 A HN 0.474 nan 8.150 nan 0.000 0.443 357 L N -0.060 121.166 121.223 0.005 0.000 2.093 357 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 357 L C 2.981 179.893 176.870 0.070 0.000 1.085 357 L CA 1.844 56.715 54.840 0.051 0.000 0.755 357 L CB -0.946 41.155 42.059 0.069 0.000 0.904 357 L HN 0.669 nan 8.230 nan 0.000 0.435 358 T N -4.640 109.857 114.554 -0.095 0.000 2.904 358 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 358 T C 2.026 176.801 174.700 0.124 0.000 1.059 358 T CA 1.188 63.185 62.100 -0.172 0.000 1.137 358 T CB -0.212 68.344 68.868 -0.520 0.000 0.879 358 T HN 0.122 nan 8.240 nan 0.000 0.467 359 S N 1.713 117.482 115.700 0.115 0.000 2.368 359 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 359 S C 1.855 176.518 174.600 0.105 0.000 1.030 359 S CA 1.253 59.543 58.200 0.151 0.000 0.999 359 S CB -0.542 62.722 63.200 0.107 0.000 0.844 359 S HN 0.516 nan 8.310 nan 0.000 0.459 360 D N 1.575 122.029 120.400 0.091 0.000 2.144 360 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 360 D C 2.097 178.450 176.300 0.090 0.000 0.984 360 D CA 1.158 55.205 54.000 0.078 0.000 0.834 360 D CB -0.393 40.448 40.800 0.067 0.000 0.955 360 D HN 0.377 nan 8.370 nan 0.000 0.465 361 A N 0.700 123.608 122.820 0.147 0.000 1.873 361 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 361 A C 2.138 179.795 177.584 0.121 0.000 1.186 361 A CA 0.897 53.041 52.037 0.177 0.000 0.616 361 A CB -0.688 18.540 19.000 0.380 0.000 0.823 361 A HN 0.248 nan 8.150 nan 0.000 0.442 362 L N -0.191 121.100 121.223 0.114 0.000 2.131 362 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 362 L C 2.587 179.448 176.870 -0.016 0.000 1.092 362 L CA 1.985 56.840 54.840 0.024 0.000 0.759 362 L CB -0.764 41.238 42.059 -0.094 0.000 0.903 362 L HN 0.344 nan 8.230 nan 0.000 0.435 363 A N -1.393 121.431 122.820 0.008 0.000 1.883 363 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 363 A C 2.268 179.828 177.584 -0.040 0.000 1.186 363 A CA 2.377 54.409 52.037 -0.007 0.000 0.624 363 A CB -1.240 17.773 19.000 0.020 0.000 0.822 363 A HN 0.499 nan 8.150 nan 0.000 0.444 364 T N 0.327 114.867 114.554 -0.023 0.000 2.746 364 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 364 T C 2.233 176.878 174.700 -0.091 0.000 1.039 364 T CA 1.643 63.717 62.100 -0.043 0.000 1.142 364 T CB -0.506 68.351 68.868 -0.017 0.000 0.866 364 T HN 0.612 nan 8.240 nan 0.000 0.444 365 A N 1.055 123.824 122.820 -0.086 0.000 1.883 365 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 365 A C 2.600 180.016 177.584 -0.279 0.000 1.186 365 A CA 1.533 53.487 52.037 -0.137 0.000 0.624 365 A CB -1.108 17.848 19.000 -0.074 0.000 0.822 365 A HN 0.355 nan 8.150 nan 0.000 0.444 366 V N -0.234 119.499 119.914 -0.301 0.000 2.343 366 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 366 V C 2.740 178.502 176.094 -0.554 0.000 1.051 366 V CA 2.502 64.472 62.300 -0.550 0.000 1.036 366 V CB -1.306 30.361 31.823 -0.260 0.000 0.654 366 V HN 0.621 nan 8.190 nan 0.000 0.451 367 T N -0.143 114.238 114.554 -0.289 0.000 2.788 367 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 367 T C 1.933 176.497 174.700 -0.227 0.000 1.044 367 T CA 1.557 63.530 62.100 -0.210 0.000 1.139 367 T CB -0.195 68.608 68.868 -0.109 0.000 0.867 367 T HN 0.287 nan 8.240 nan 0.000 0.454 368 V N 1.104 120.881 119.914 -0.228 0.000 2.307 368 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 368 V C 2.386 178.337 176.094 -0.239 0.000 1.045 368 V CA 1.313 63.500 62.300 -0.189 0.000 1.024 368 V CB -0.548 31.179 31.823 -0.160 0.000 0.651 368 V HN 0.317 nan 8.190 nan 0.000 0.449 369 L N 0.285 121.271 121.223 -0.395 0.000 2.141 369 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 369 L C 2.514 179.169 176.870 -0.359 0.000 1.094 369 L CA 1.968 56.567 54.840 -0.401 0.000 0.763 369 L CB -1.067 40.637 42.059 -0.590 0.000 0.908 369 L HN 0.283 nan 8.230 nan 0.000 0.437 370 A N -0.636 121.842 122.820 -0.569 0.000 1.969 370 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 370 A C 2.415 179.973 177.584 -0.044 0.000 1.169 370 A CA 1.414 53.310 52.037 -0.236 0.000 0.635 370 A CB -1.185 17.691 19.000 -0.207 0.000 0.810 370 A HN 0.415 nan 8.150 nan 0.000 0.445 371 G N -0.090 108.655 108.800 -0.091 0.000 2.422 371 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.218 371 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.218 371 G C 1.468 176.368 174.900 0.000 0.000 1.146 371 G CA 1.177 46.258 45.100 -0.033 0.000 0.769 371 G HN 0.495 nan 8.290 nan 0.000 0.547 372 L N 1.425 122.643 121.223 -0.008 0.000 2.017 372 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 372 L C 3.006 179.917 176.870 0.070 0.000 1.073 372 L CA 2.273 57.130 54.840 0.029 0.000 0.745 372 L CB -0.794 41.274 42.059 0.015 0.000 0.894 372 L HN 0.212 nan 8.230 nan 0.000 0.432 373 A N -0.940 121.946 122.820 0.111 0.000 1.933 373 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 373 A C 2.324 179.965 177.584 0.095 0.000 1.175 373 A CA 1.676 53.797 52.037 0.139 0.000 0.628 373 A CB -0.728 18.414 19.000 0.236 0.000 0.814 373 A HN 0.591 nan 8.150 nan 0.000 0.444 374 E N -0.072 120.177 120.200 0.082 0.000 2.106 374 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 374 E C 2.009 178.640 176.600 0.053 0.000 0.984 374 E CA 0.734 57.172 56.400 0.063 0.000 0.806 374 E CB -0.189 29.543 29.700 0.053 0.000 0.750 374 E HN 0.364 nan 8.360 nan 0.000 0.458 375 R N 0.348 120.877 120.500 0.048 0.000 2.148 375 R HA -0.012 4.328 4.340 -0.000 0.000 0.223 375 R C 2.328 178.656 176.300 0.045 0.000 1.088 375 R CA 0.726 56.851 56.100 0.042 0.000 0.985 375 R CB -0.314 30.010 30.300 0.039 0.000 0.880 375 R HN 0.391 nan 8.270 nan 0.000 0.451 376 Q N -0.010 119.822 119.800 0.054 0.000 2.119 376 Q HA -0.017 4.323 4.340 -0.000 0.000 0.201 376 Q C 2.164 178.185 176.000 0.036 0.000 0.972 376 Q CA 1.036 56.871 55.803 0.054 0.000 0.847 376 Q CB -0.038 28.741 28.738 0.069 0.000 0.903 376 Q HN 0.298 nan 8.270 nan 0.000 0.433 377 I N 0.667 121.258 120.570 0.036 0.000 2.202 377 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 377 I C 2.430 178.569 176.117 0.036 0.000 1.091 377 I CA 0.946 62.260 61.300 0.023 0.000 1.368 377 I CB -0.422 37.597 38.000 0.032 0.000 1.058 377 I HN 0.146 nan 8.210 nan 0.000 0.410 378 A N 0.755 123.603 122.820 0.047 0.000 1.978 378 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 378 A C 2.430 180.026 177.584 0.020 0.000 1.170 378 A CA 1.953 54.021 52.037 0.051 0.000 0.636 378 A CB -0.640 18.389 19.000 0.049 0.000 0.810 378 A HN 0.412 nan 8.150 nan 0.000 0.448 379 R N -0.988 119.519 120.500 0.012 0.000 2.075 379 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 379 R C 2.011 178.298 176.300 -0.022 0.000 1.114 379 R CA 1.303 57.400 56.100 -0.005 0.000 0.972 379 R CB -0.389 29.916 30.300 0.009 0.000 0.869 379 R HN 0.388 nan 8.270 nan 0.000 0.437 380 L N 1.245 122.459 121.223 -0.014 0.000 2.131 380 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 380 L C 1.937 178.777 176.870 -0.052 0.000 1.092 380 L CA 2.391 57.214 54.840 -0.028 0.000 0.759 380 L CB -0.437 41.606 42.059 -0.026 0.000 0.903 380 L HN 0.434 nan 8.230 nan 0.000 0.435 381 T N -4.178 110.346 114.554 -0.050 0.000 3.107 381 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 381 T C 0.696 175.186 174.700 -0.350 0.000 1.096 381 T CA -0.147 61.896 62.100 -0.096 0.000 1.012 381 T CB -0.480 68.450 68.868 0.104 0.000 0.977 381 T HN 0.246 nan 8.240 nan 0.000 0.527 382 D N 2.585 122.845 120.400 -0.234 0.000 2.347 382 D HA 0.079 4.719 4.640 -0.000 0.000 0.235 382 D C 1.313 177.491 176.300 -0.203 0.000 1.149 382 D CA -0.305 53.537 54.000 -0.263 0.000 0.850 382 D CB 1.287 42.013 40.800 -0.124 0.000 1.061 382 D HN 0.610 nan 8.370 nan 0.000 0.487 383 E N 3.298 123.353 120.200 -0.241 0.000 2.267 383 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 383 E C 1.109 177.660 176.600 -0.081 0.000 0.998 383 E CA 0.784 57.104 56.400 -0.133 0.000 0.830 383 E CB 0.082 29.718 29.700 -0.107 0.000 0.751 383 E HN 0.367 nan 8.360 nan 0.000 0.491 384 R N 0.044 120.496 120.500 -0.079 0.000 2.240 384 R HA 0.151 4.491 4.340 -0.000 0.000 0.203 384 R C 1.866 178.140 176.300 -0.043 0.000 1.011 384 R CA 0.653 56.724 56.100 -0.048 0.000 1.007 384 R CB 0.143 30.419 30.300 -0.039 0.000 0.911 384 R HN 0.280 nan 8.270 nan 0.000 0.468 385 L N 0.119 121.310 121.223 -0.053 0.000 2.749 385 L HA 0.107 4.447 4.340 -0.000 0.000 0.242 385 L C 0.708 177.555 176.870 -0.037 0.000 1.103 385 L CA -0.078 54.738 54.840 -0.040 0.000 0.906 385 L CB 0.079 42.116 42.059 -0.038 0.000 1.228 385 L HN 0.124 nan 8.230 nan 0.000 0.517 386 N N 0.923 119.594 118.700 -0.049 0.000 2.362 386 N HA -0.057 4.683 4.740 -0.000 0.000 0.204 386 N C 0.068 175.560 175.510 -0.030 0.000 1.166 386 N CA -0.230 52.797 53.050 -0.040 0.000 0.831 386 N CB -0.225 38.230 38.487 -0.053 0.000 1.008 386 N HN 0.078 nan 8.380 nan 0.000 0.472 387 R N -0.529 119.955 120.500 -0.027 0.000 3.251 387 R HA -0.174 4.166 4.340 -0.000 0.000 0.249 387 R C 0.777 177.066 176.300 -0.018 0.000 0.949 387 R CA 0.495 56.583 56.100 -0.020 0.000 0.645 387 R CB -2.036 28.254 30.300 -0.017 0.000 1.065 387 R HN 0.644 nan 8.270 nan 0.000 0.452 388 G N -1.032 107.756 108.800 -0.019 0.000 2.195 388 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.224 388 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.224 388 G C 0.261 175.151 174.900 -0.017 0.000 0.990 388 G CA 0.023 45.114 45.100 -0.015 0.000 0.639 388 G HN 0.254 nan 8.290 nan 0.000 0.514 389 L N 1.619 122.828 121.223 -0.023 0.000 2.436 389 L HA 0.408 4.748 4.340 -0.000 0.000 0.265 389 L C -1.617 175.237 176.870 -0.026 0.000 1.168 389 L CA -1.968 52.857 54.840 -0.026 0.000 0.815 389 L CB 0.585 42.628 42.059 -0.026 0.000 1.109 389 L HN -0.081 nan 8.230 nan 0.000 0.462 390 P HA 0.041 nan 4.420 nan 0.000 0.267 390 P C -2.464 174.866 177.300 0.051 0.000 1.200 390 P CA -0.899 62.194 63.100 -0.012 0.000 0.772 390 P CB -0.173 31.404 31.700 -0.205 0.000 0.855 391 P HA -0.013 nan 4.420 nan 0.000 0.267 391 P C -0.255 177.142 177.300 0.162 0.000 1.209 391 P CA 0.366 63.450 63.100 -0.027 0.000 0.763 391 P CB -0.173 31.555 31.700 0.047 0.000 0.816 392 F N 1.652 121.702 119.950 0.166 0.000 3.034 392 F HA -0.243 4.284 4.527 -0.000 0.000 0.286 392 F C 1.319 177.290 175.800 0.285 0.000 0.804 392 F CA 0.385 58.507 58.000 0.202 0.000 1.161 392 F CB -2.626 36.485 39.000 0.185 0.000 1.317 392 F HN 0.271 nan 8.300 nan 0.000 0.453 393 L N -1.698 119.691 121.223 0.277 0.000 3.839 393 L HA -0.320 4.020 4.340 -0.000 0.000 0.416 393 L C 1.356 178.376 176.870 0.249 0.000 1.195 393 L CA 1.042 56.016 54.840 0.222 0.000 0.946 393 L CB -2.053 40.145 42.059 0.231 0.000 1.891 393 L HN 0.690 nan 8.230 nan 0.000 0.963 394 H N 0.495 119.693 119.070 0.213 0.000 2.671 394 H HA 0.651 5.207 4.556 -0.000 0.000 0.372 394 H C 0.275 175.661 175.328 0.097 0.000 1.227 394 H CA -0.420 55.710 56.048 0.137 0.000 1.426 394 H CB 0.844 30.675 29.762 0.115 0.000 1.480 394 H HN 0.293 nan 8.280 nan 0.000 0.611 395 R N -0.157 120.361 120.500 0.030 0.000 2.854 395 R HA 0.478 4.818 4.340 -0.000 0.000 0.271 395 R C -0.321 176.071 176.300 0.153 0.000 0.994 395 R CA -0.215 55.875 56.100 -0.018 0.000 0.945 395 R CB 2.194 32.502 30.300 0.012 0.000 1.194 395 R HN 1.114 nan 8.270 nan 0.000 0.476 396 G N 1.691 110.558 108.800 0.111 0.000 2.728 396 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.294 396 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.294 396 G C -2.743 172.277 174.900 0.199 0.000 1.342 396 G CA -1.251 43.925 45.100 0.128 0.000 0.866 396 G HN 0.392 nan 8.290 nan 0.000 0.534 397 P HA 0.468 nan 4.420 nan 0.000 0.267 397 P C 0.429 177.758 177.300 0.048 0.000 1.205 397 P CA 0.792 63.950 63.100 0.098 0.000 0.765 397 P CB 0.763 32.489 31.700 0.045 0.000 0.828 398 A N 3.393 126.234 122.820 0.035 0.000 2.445 398 A HA 0.481 4.801 4.320 -0.000 0.000 0.242 398 A C 1.581 179.074 177.584 -0.152 0.000 1.075 398 A CA 0.811 52.703 52.037 -0.241 0.000 0.777 398 A CB -0.928 18.032 19.000 -0.066 0.000 1.013 398 A HN 0.806 nan 8.150 nan 0.000 0.493 399 G N 0.217 108.902 108.800 -0.191 0.000 3.757 399 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.215 399 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.215 399 G C 1.127 175.975 174.900 -0.087 0.000 1.411 399 G CA 0.527 45.569 45.100 -0.097 0.000 0.896 399 G HN 0.878 nan 8.290 nan 0.000 0.581 400 L N 1.078 122.260 121.223 -0.068 0.000 2.131 400 L HA 0.094 4.434 4.340 -0.000 0.000 0.210 400 L C 0.881 177.718 176.870 -0.055 0.000 1.092 400 L CA 1.090 55.903 54.840 -0.045 0.000 0.759 400 L CB -0.315 41.732 42.059 -0.021 0.000 0.903 400 L HN 0.333 nan 8.230 nan 0.000 0.435 401 N N -1.330 117.318 118.700 -0.085 0.000 2.321 401 N HA 0.201 4.941 4.740 -0.000 0.000 0.299 401 N C -0.031 175.396 175.510 -0.138 0.000 1.048 401 N CA -0.121 52.888 53.050 -0.069 0.000 0.836 401 N CB 2.082 40.589 38.487 0.033 0.000 1.269 401 N HN -0.197 nan 8.380 nan 0.000 0.486 402 S N 0.102 115.757 115.700 -0.074 0.000 2.559 402 S HA 0.248 4.718 4.470 -0.000 0.000 0.226 402 S C 1.275 175.898 174.600 0.039 0.000 1.000 402 S CA 0.019 58.179 58.200 -0.066 0.000 0.948 402 S CB 0.446 63.560 63.200 -0.144 0.000 0.870 402 S HN 0.926 nan 8.310 nan 0.000 0.497 403 G N 2.475 111.309 108.800 0.057 0.000 2.629 403 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.313 403 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.313 403 G C 0.224 175.039 174.900 -0.142 0.000 1.217 403 G CA 0.771 45.887 45.100 0.026 0.000 0.994 403 G HN 0.464 nan 8.290 nan 0.000 0.549 404 F N 1.325 121.357 119.950 0.138 0.000 2.663 404 F HA 0.469 4.996 4.527 -0.000 0.000 0.299 404 F C 2.383 178.206 175.800 0.038 0.000 1.143 404 F CA 0.898 58.953 58.000 0.092 0.000 1.387 404 F CB 0.162 39.236 39.000 0.123 0.000 1.019 404 F HN 0.325 nan 8.300 nan 0.000 0.523 405 M N -0.053 119.527 119.600 -0.033 0.000 2.149 405 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 405 M C 2.341 178.505 176.300 -0.226 0.000 1.064 405 M CA 2.172 57.176 55.300 -0.494 0.000 1.102 405 M CB -0.389 31.653 32.600 -0.929 0.000 1.369 405 M HN 0.314 nan 8.290 nan 0.000 0.408 406 G N -0.862 107.866 108.800 -0.119 0.000 2.394 406 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.214 406 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.214 406 G C 1.480 176.384 174.900 0.006 0.000 1.176 406 G CA 0.669 45.730 45.100 -0.066 0.000 0.786 406 G HN 0.600 nan 8.290 nan 0.000 0.533 407 A N 0.002 122.864 122.820 0.070 0.000 1.972 407 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 407 A C 2.266 179.919 177.584 0.114 0.000 1.169 407 A CA 2.030 54.141 52.037 0.122 0.000 0.635 407 A CB -0.409 18.746 19.000 0.258 0.000 0.810 407 A HN 0.383 nan 8.150 nan 0.000 0.446 408 Q N 0.055 119.938 119.800 0.138 0.000 2.084 408 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 408 Q C 2.092 178.145 176.000 0.087 0.000 0.978 408 Q CA 2.009 57.892 55.803 0.133 0.000 0.844 408 Q CB -0.273 28.598 28.738 0.222 0.000 0.898 408 Q HN 0.436 nan 8.270 nan 0.000 0.426 409 V N 0.476 120.423 119.914 0.054 0.000 2.427 409 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 409 V C 2.351 178.464 176.094 0.032 0.000 1.051 409 V CA 1.995 64.316 62.300 0.034 0.000 1.048 409 V CB -0.801 31.023 31.823 0.002 0.000 0.666 409 V HN 0.366 nan 8.190 nan 0.000 0.456 410 T N 0.399 114.972 114.554 0.032 0.000 2.788 410 T HA -0.156 4.193 4.350 -0.000 0.000 0.268 410 T C 2.066 176.788 174.700 0.037 0.000 1.044 410 T CA 1.598 63.716 62.100 0.030 0.000 1.139 410 T CB -0.349 68.536 68.868 0.029 0.000 0.867 410 T HN 0.574 nan 8.240 nan 0.000 0.454 411 A N 1.179 124.027 122.820 0.047 0.000 1.902 411 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 411 A C 2.554 180.166 177.584 0.047 0.000 1.181 411 A CA 2.103 54.169 52.037 0.049 0.000 0.623 411 A CB -1.236 17.797 19.000 0.055 0.000 0.818 411 A HN 0.467 nan 8.150 nan 0.000 0.443 412 T N 0.360 114.941 114.554 0.046 0.000 2.746 412 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 412 T C 2.205 176.923 174.700 0.031 0.000 1.039 412 T CA 1.627 63.751 62.100 0.039 0.000 1.142 412 T CB -0.459 68.433 68.868 0.040 0.000 0.866 412 T HN 0.607 nan 8.240 nan 0.000 0.444 413 A N 1.228 124.065 122.820 0.029 0.000 1.902 413 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 413 A C 2.301 179.900 177.584 0.025 0.000 1.181 413 A CA 1.201 53.252 52.037 0.023 0.000 0.623 413 A CB -0.828 18.183 19.000 0.019 0.000 0.818 413 A HN 0.484 nan 8.150 nan 0.000 0.443 414 L N -1.144 120.098 121.223 0.031 0.000 2.083 414 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 414 L C 2.556 179.448 176.870 0.037 0.000 1.083 414 L CA 1.121 55.983 54.840 0.036 0.000 0.752 414 L CB -0.529 41.557 42.059 0.045 0.000 0.899 414 L HN 0.473 nan 8.230 nan 0.000 0.433 415 L N 0.236 121.480 121.223 0.035 0.000 2.027 415 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 415 L C 2.663 179.542 176.870 0.015 0.000 1.074 415 L CA 1.938 56.793 54.840 0.025 0.000 0.745 415 L CB -0.713 41.360 42.059 0.024 0.000 0.898 415 L HN 0.122 nan 8.230 nan 0.000 0.433 416 A N -0.755 122.075 122.820 0.017 0.000 1.908 416 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 416 A C 2.338 179.930 177.584 0.013 0.000 1.181 416 A CA 2.013 54.058 52.037 0.013 0.000 0.627 416 A CB -0.787 18.222 19.000 0.014 0.000 0.818 416 A HN 0.645 nan 8.150 nan 0.000 0.445 417 E N -0.728 119.482 120.200 0.016 0.000 2.072 417 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 417 E C 2.056 178.666 176.600 0.017 0.000 0.985 417 E CA 1.253 57.663 56.400 0.017 0.000 0.801 417 E CB -0.199 29.513 29.700 0.020 0.000 0.750 417 E HN 0.679 nan 8.360 nan 0.000 0.452 418 M N 0.023 119.634 119.600 0.017 0.000 2.108 418 M HA -0.186 4.293 4.480 -0.000 0.000 0.261 418 M C 2.337 178.640 176.300 0.006 0.000 1.066 418 M CA 1.597 56.905 55.300 0.014 0.000 1.107 418 M CB -0.221 32.383 32.600 0.007 0.000 1.356 418 M HN 0.018 nan 8.290 nan 0.000 0.406 419 R N 0.102 120.603 120.500 0.002 0.000 2.152 419 R HA -0.061 4.278 4.340 -0.000 0.000 0.232 419 R C 2.234 178.539 176.300 0.007 0.000 1.117 419 R CA 1.186 57.285 56.100 -0.000 0.000 0.981 419 R CB -0.497 29.802 30.300 -0.002 0.000 0.870 419 R HN 0.392 nan 8.270 nan 0.000 0.451 420 A N 0.536 123.362 122.820 0.011 0.000 2.067 420 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 420 A C 0.862 178.458 177.584 0.019 0.000 1.158 420 A CA 1.000 53.045 52.037 0.014 0.000 0.661 420 A CB 0.033 19.041 19.000 0.012 0.000 0.801 420 A HN 0.125 nan 8.150 nan 0.000 0.452 421 T N 0.033 114.600 114.554 0.021 0.000 2.795 421 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 421 T C 0.436 175.158 174.700 0.037 0.000 0.980 421 T CA 0.060 62.177 62.100 0.030 0.000 1.012 421 T CB 1.539 70.423 68.868 0.028 0.000 0.936 421 T HN 0.385 nan 8.240 nan 0.000 0.457 422 G N 2.907 111.742 108.800 0.059 0.000 2.971 422 G HA2 0.680 4.640 3.960 -0.000 0.000 0.235 422 G HA3 0.680 4.640 3.960 -0.000 0.000 0.235 422 G C -2.658 172.288 174.900 0.077 0.000 1.351 422 G CA -1.603 43.533 45.100 0.060 0.000 1.039 422 G HN 0.442 nan 8.290 nan 0.000 0.563 423 P HA 0.239 nan 4.420 nan 0.000 0.265 423 P C 0.310 177.667 177.300 0.095 0.000 1.187 423 P CA 0.472 63.603 63.100 0.051 0.000 0.766 423 P CB 1.246 32.951 31.700 0.008 0.000 0.820 424 A N 1.952 124.831 122.820 0.100 0.000 2.044 424 A HA -0.023 4.297 4.320 -0.000 0.000 0.213 424 A C 2.075 179.725 177.584 0.109 0.000 1.169 424 A CA 0.912 53.049 52.037 0.167 0.000 0.724 424 A CB -0.912 18.158 19.000 0.116 0.000 0.840 424 A HN 0.468 nan 8.150 nan 0.000 0.463 425 S N 0.624 116.344 115.700 0.032 0.000 2.400 425 S HA -0.180 4.290 4.470 -0.000 0.000 0.232 425 S C 1.693 176.255 174.600 -0.063 0.000 1.025 425 S CA 1.579 59.779 58.200 -0.000 0.000 0.993 425 S CB -0.669 62.532 63.200 0.001 0.000 0.808 425 S HN 0.790 nan 8.310 nan 0.000 0.478 426 I N -1.272 119.184 120.570 -0.190 0.000 3.444 426 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 426 I C 0.635 176.531 176.117 -0.367 0.000 1.302 426 I CA 0.987 62.114 61.300 -0.288 0.000 1.368 426 I CB -0.349 37.435 38.000 -0.361 0.000 1.048 426 I HN 0.163 nan 8.210 nan 0.000 0.487 427 H N 1.128 120.209 119.070 0.019 0.000 2.524 427 H HA 0.320 4.876 4.556 -0.000 0.000 0.299 427 H C 0.617 175.957 175.328 0.020 0.000 1.074 427 H CA -0.253 55.806 56.048 0.018 0.000 1.115 427 H CB 0.109 29.882 29.762 0.018 0.000 1.522 427 H HN 0.300 nan 8.280 nan 0.000 0.543 428 S N 1.198 116.945 115.700 0.078 0.000 2.549 428 S HA 0.223 4.693 4.470 -0.000 0.000 0.286 428 S C 0.277 174.917 174.600 0.066 0.000 1.314 428 S CA -0.193 58.047 58.200 0.066 0.000 1.062 428 S CB 0.031 63.255 63.200 0.040 0.000 0.865 428 S HN 0.300 nan 8.310 nan 0.000 0.498 429 I N 3.187 123.794 120.570 0.061 0.000 2.569 429 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 429 I C -0.009 176.135 176.117 0.045 0.000 1.088 429 I CA -0.647 60.684 61.300 0.052 0.000 1.047 429 I CB 2.146 40.177 38.000 0.052 0.000 1.237 429 I HN 0.564 nan 8.210 nan 0.000 0.421 430 S N 3.884 119.607 115.700 0.039 0.000 2.525 430 S HA 0.246 4.716 4.470 -0.000 0.000 0.285 430 S C -0.190 174.432 174.600 0.037 0.000 1.283 430 S CA 0.452 58.674 58.200 0.037 0.000 1.072 430 S CB 0.196 63.416 63.200 0.032 0.000 0.867 430 S HN 0.766 nan 8.310 nan 0.000 0.492 431 T N 3.168 117.745 114.554 0.040 0.000 2.654 431 T HA 0.419 4.769 4.350 -0.000 0.000 0.289 431 T C -0.284 174.440 174.700 0.041 0.000 1.062 431 T CA -0.129 61.994 62.100 0.038 0.000 1.041 431 T CB 0.804 69.697 68.868 0.040 0.000 1.417 431 T HN 0.899 nan 8.240 nan 0.000 0.510 432 N N 0.576 119.301 118.700 0.041 0.000 2.727 432 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 432 N C 0.252 175.784 175.510 0.038 0.000 1.040 432 N CA 0.753 53.830 53.050 0.044 0.000 0.712 432 N CB -1.178 37.342 38.487 0.054 0.000 0.912 432 N HN 1.514 nan 8.380 nan 0.000 0.545 433 A N -0.626 122.212 122.820 0.030 0.000 2.745 433 A HA 0.017 4.337 4.320 -0.000 0.000 0.296 433 A C 1.342 178.943 177.584 0.028 0.000 1.500 433 A CA 2.014 54.066 52.037 0.025 0.000 0.766 433 A CB -2.271 16.741 19.000 0.021 0.000 1.030 433 A HN 2.246 nan 8.150 nan 0.000 0.489 434 A N -2.231 120.608 122.820 0.031 0.000 3.413 434 A HA -0.368 3.952 4.320 -0.000 0.000 0.268 434 A C 1.391 178.997 177.584 0.037 0.000 1.128 434 A CA 2.119 54.175 52.037 0.032 0.000 1.062 434 A CB -2.523 16.493 19.000 0.026 0.000 1.121 434 A HN 2.255 nan 8.150 nan 0.000 0.895 435 N N -0.124 118.601 118.700 0.042 0.000 2.216 435 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 435 N C 0.971 176.515 175.510 0.057 0.000 1.017 435 N CA 1.754 54.834 53.050 0.050 0.000 0.861 435 N CB -0.127 38.394 38.487 0.058 0.000 0.986 435 N HN 0.743 nan 8.380 nan 0.000 0.428 436 Q N 0.537 120.371 119.800 0.057 0.000 3.008 436 Q HA 0.070 4.410 4.340 -0.000 0.000 0.307 436 Q C -0.500 175.534 176.000 0.057 0.000 1.273 436 Q CA -0.293 55.549 55.803 0.065 0.000 1.091 436 Q CB 0.632 29.405 28.738 0.058 0.000 1.393 436 Q HN 0.507 nan 8.270 nan 0.000 0.521 437 D N -0.464 119.967 120.400 0.052 0.000 2.371 437 D HA -0.069 4.571 4.640 -0.000 0.000 0.221 437 D C 0.606 176.932 176.300 0.043 0.000 0.986 437 D CA 0.377 54.403 54.000 0.043 0.000 0.899 437 D CB 0.123 40.944 40.800 0.035 0.000 0.902 437 D HN 0.194 nan 8.370 nan 0.000 0.530 438 V N -1.791 118.154 119.914 0.051 0.000 2.733 438 V HA 0.739 4.859 4.120 -0.000 0.000 0.306 438 V C -0.459 175.673 176.094 0.065 0.000 1.084 438 V CA -1.230 61.099 62.300 0.049 0.000 0.905 438 V CB 1.835 33.681 31.823 0.038 0.000 1.010 438 V HN 0.098 nan 8.190 nan 0.000 0.424 439 V N 0.977 120.928 119.914 0.061 0.000 2.876 439 V HA 0.772 4.892 4.120 -0.000 0.000 0.312 439 V C 1.089 177.221 176.094 0.063 0.000 1.085 439 V CA 0.285 62.628 62.300 0.072 0.000 0.945 439 V CB 1.450 33.313 31.823 0.067 0.000 1.017 439 V HN 1.313 nan 8.190 nan 0.000 0.428 440 S N 2.913 118.655 115.700 0.070 0.000 2.395 440 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 440 S C 1.178 175.810 174.600 0.054 0.000 1.027 440 S CA 1.234 59.467 58.200 0.056 0.000 0.965 440 S CB -0.873 62.363 63.200 0.061 0.000 0.812 440 S HN 1.418 nan 8.310 nan 0.000 0.482 441 L N 0.295 121.554 121.223 0.059 0.000 4.040 441 L HA -0.189 4.150 4.340 -0.000 0.000 0.410 441 L C 1.482 178.385 176.870 0.054 0.000 1.187 441 L CA 0.017 54.892 54.840 0.059 0.000 0.956 441 L CB -2.237 39.866 42.059 0.073 0.000 2.022 441 L HN 0.536 nan 8.230 nan 0.000 0.897 442 G N -0.487 108.343 108.800 0.049 0.000 2.432 442 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 442 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 442 G C 1.265 176.190 174.900 0.042 0.000 1.135 442 G CA 1.380 46.506 45.100 0.043 0.000 0.767 442 G HN 0.468 nan 8.290 nan 0.000 0.550 443 T N 1.245 115.822 114.554 0.039 0.000 2.777 443 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 443 T C 2.370 177.092 174.700 0.037 0.000 1.040 443 T CA 0.837 62.958 62.100 0.034 0.000 1.141 443 T CB -0.084 68.800 68.868 0.026 0.000 0.868 443 T HN 0.276 nan 8.240 nan 0.000 0.444 444 I N 1.544 122.139 120.570 0.041 0.000 2.252 444 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 444 I C 3.015 179.163 176.117 0.052 0.000 1.102 444 I CA 0.952 62.278 61.300 0.043 0.000 1.385 444 I CB -0.543 37.486 38.000 0.048 0.000 1.064 444 I HN 0.197 nan 8.210 nan 0.000 0.414 445 A N 0.982 123.837 122.820 0.057 0.000 1.883 445 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 445 A C 2.553 180.175 177.584 0.063 0.000 1.186 445 A CA 2.123 54.197 52.037 0.062 0.000 0.624 445 A CB -0.925 18.110 19.000 0.059 0.000 0.822 445 A HN 0.436 nan 8.150 nan 0.000 0.444 446 A N -0.480 122.378 122.820 0.062 0.000 1.933 446 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 446 A C 2.250 179.873 177.584 0.065 0.000 1.175 446 A CA 1.557 53.637 52.037 0.073 0.000 0.628 446 A CB -0.433 18.607 19.000 0.067 0.000 0.814 446 A HN 0.565 nan 8.150 nan 0.000 0.444 447 R N -0.590 119.942 120.500 0.053 0.000 2.092 447 R HA 0.049 4.389 4.340 -0.000 0.000 0.231 447 R C 1.987 178.316 176.300 0.049 0.000 1.119 447 R CA 1.227 57.356 56.100 0.048 0.000 0.970 447 R CB -0.421 29.901 30.300 0.036 0.000 0.864 447 R HN 0.492 nan 8.270 nan 0.000 0.440 448 L N -0.230 121.022 121.223 0.049 0.000 2.093 448 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 448 L C 2.732 179.632 176.870 0.050 0.000 1.085 448 L CA 0.750 55.618 54.840 0.047 0.000 0.755 448 L CB -0.498 41.590 42.059 0.049 0.000 0.904 448 L HN 0.374 nan 8.230 nan 0.000 0.435 449 C N 0.340 119.672 119.300 0.055 0.000 2.440 449 C HA -0.156 4.304 4.460 -0.000 0.000 0.278 449 C C 3.093 178.122 174.990 0.065 0.000 1.295 449 C CA 0.864 59.914 59.018 0.053 0.000 1.738 449 C CB -0.549 27.224 27.740 0.054 0.000 1.987 449 C HN 0.489 nan 8.230 nan 0.000 0.492 450 R N 1.285 121.827 120.500 0.070 0.000 2.091 450 R HA -0.083 4.257 4.340 -0.000 0.000 0.238 450 R C 2.116 178.464 176.300 0.080 0.000 1.136 450 R CA 1.996 58.144 56.100 0.080 0.000 0.959 450 R CB -0.831 29.514 30.300 0.074 0.000 0.856 450 R HN 0.531 nan 8.270 nan 0.000 0.437 451 E N 0.747 120.987 120.200 0.066 0.000 2.085 451 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 451 E C 1.862 178.506 176.600 0.074 0.000 0.994 451 E CA 1.420 57.857 56.400 0.062 0.000 0.801 451 E CB -0.119 29.610 29.700 0.048 0.000 0.743 451 E HN 0.429 nan 8.360 nan 0.000 0.453 452 K N 0.288 120.732 120.400 0.073 0.000 2.097 452 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 452 K C 2.311 179.001 176.600 0.151 0.000 1.050 452 K CA 0.793 57.128 56.287 0.080 0.000 0.938 452 K CB -0.131 32.392 32.500 0.039 0.000 0.718 452 K HN 0.094 nan 8.250 nan 0.000 0.442 453 I N 1.452 122.124 120.570 0.171 0.000 2.226 453 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 453 I C 1.626 177.867 176.117 0.207 0.000 1.100 453 I CA 1.195 62.654 61.300 0.265 0.000 1.374 453 I CB -0.235 37.885 38.000 0.200 0.000 1.057 453 I HN 0.152 nan 8.210 nan 0.000 0.413 454 D N 0.527 121.005 120.400 0.131 0.000 2.117 454 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 454 D C 2.336 178.691 176.300 0.091 0.000 0.987 454 D CA 0.924 54.976 54.000 0.087 0.000 0.829 454 D CB -0.210 40.630 40.800 0.067 0.000 0.961 454 D HN 0.170 nan 8.370 nan 0.000 0.460 455 R N -0.031 120.539 120.500 0.116 0.000 2.075 455 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 455 R C 2.136 178.545 176.300 0.181 0.000 1.126 455 R CA 0.494 56.662 56.100 0.113 0.000 0.963 455 R CB -1.079 29.279 30.300 0.096 0.000 0.858 455 R HN 0.348 nan 8.270 nan 0.000 0.435 456 W N 1.862 123.162 121.300 0.000 0.000 2.338 456 W HA -0.100 4.560 4.660 -0.000 0.000 0.304 456 W C 2.098 178.608 176.519 -0.016 0.000 1.212 456 W CA 1.435 58.780 57.345 -0.000 0.000 1.264 456 W CB -0.631 28.836 29.460 0.012 0.000 1.142 456 W HN 0.141 nan 8.180 nan 0.000 0.512 457 A N 0.094 122.912 122.820 -0.003 0.000 1.933 457 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 457 A C 1.862 179.358 177.584 -0.146 0.000 1.175 457 A CA 1.947 53.867 52.037 -0.196 0.000 0.628 457 A CB -0.735 18.176 19.000 -0.148 0.000 0.814 457 A HN 0.455 nan 8.150 nan 0.000 0.444 458 E N -0.361 119.812 120.200 -0.045 0.000 2.107 458 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 458 E C 1.825 178.408 176.600 -0.028 0.000 0.982 458 E CA 1.058 57.433 56.400 -0.041 0.000 0.809 458 E CB -0.224 29.476 29.700 -0.000 0.000 0.756 458 E HN 0.698 nan 8.360 nan 0.000 0.459 459 I N 0.813 121.403 120.570 0.033 0.000 2.252 459 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 459 I C 2.201 178.327 176.117 0.015 0.000 1.102 459 I CA 0.956 62.292 61.300 0.060 0.000 1.385 459 I CB -0.154 37.937 38.000 0.151 0.000 1.064 459 I HN 0.118 nan 8.210 nan 0.000 0.414 460 L N 0.477 121.681 121.223 -0.031 0.000 2.083 460 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 460 L C 2.834 179.594 176.870 -0.184 0.000 1.083 460 L CA 1.194 55.970 54.840 -0.106 0.000 0.752 460 L CB -0.677 41.230 42.059 -0.254 0.000 0.899 460 L HN 0.243 nan 8.230 nan 0.000 0.433 461 A N 0.368 123.050 122.820 -0.229 0.000 1.902 461 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 461 A C 2.213 179.675 177.584 -0.204 0.000 1.181 461 A CA 1.527 53.396 52.037 -0.280 0.000 0.623 461 A CB -0.615 18.232 19.000 -0.257 0.000 0.818 461 A HN 0.335 nan 8.150 nan 0.000 0.443 462 I N -0.837 119.661 120.570 -0.120 0.000 2.179 462 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 462 I C 2.432 178.476 176.117 -0.120 0.000 1.088 462 I CA 1.272 62.527 61.300 -0.076 0.000 1.357 462 I CB -0.284 37.710 38.000 -0.011 0.000 1.051 462 I HN 0.403 nan 8.210 nan 0.000 0.409 463 L N 1.248 122.419 121.223 -0.088 0.000 2.042 463 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 463 L C 2.515 179.324 176.870 -0.101 0.000 1.076 463 L CA 2.190 56.983 54.840 -0.077 0.000 0.749 463 L CB -0.830 41.224 42.059 -0.009 0.000 0.893 463 L HN 0.200 nan 8.230 nan 0.000 0.432 464 A N -0.595 122.161 122.820 -0.108 0.000 1.902 464 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 464 A C 2.257 179.769 177.584 -0.121 0.000 1.181 464 A CA 1.913 53.901 52.037 -0.082 0.000 0.623 464 A CB -0.863 18.049 19.000 -0.147 0.000 0.818 464 A HN 0.505 nan 8.150 nan 0.000 0.443 465 L N -0.858 120.254 121.223 -0.184 0.000 2.083 465 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 465 L C 2.714 179.379 176.870 -0.340 0.000 1.083 465 L CA 1.182 55.929 54.840 -0.154 0.000 0.752 465 L CB -0.717 41.319 42.059 -0.038 0.000 0.899 465 L HN 0.483 nan 8.230 nan 0.000 0.433 466 C N -0.189 118.762 119.300 -0.582 0.000 2.429 466 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 466 C C 2.745 177.534 174.990 -0.336 0.000 1.262 466 C CA 0.464 59.009 59.018 -0.787 0.000 1.733 466 C CB -0.749 26.649 27.740 -0.569 0.000 2.010 466 C HN 0.432 nan 8.230 nan 0.000 0.483 467 L N 0.894 122.009 121.223 -0.179 0.000 2.141 467 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 467 L C 2.825 179.679 176.870 -0.027 0.000 1.094 467 L CA 1.387 56.187 54.840 -0.067 0.000 0.763 467 L CB -0.624 41.428 42.059 -0.011 0.000 0.908 467 L HN 0.344 nan 8.230 nan 0.000 0.437 468 A N -0.342 122.467 122.820 -0.019 0.000 1.898 468 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 468 A C 2.214 179.823 177.584 0.042 0.000 1.181 468 A CA 1.848 53.906 52.037 0.034 0.000 0.620 468 A CB -0.479 18.559 19.000 0.064 0.000 0.819 468 A HN 0.415 nan 8.150 nan 0.000 0.442 469 Q N -0.327 119.495 119.800 0.037 0.000 2.079 469 Q HA 0.003 4.343 4.340 -0.000 0.000 0.200 469 Q C 2.045 178.072 176.000 0.045 0.000 0.974 469 Q CA 1.985 57.842 55.803 0.091 0.000 0.840 469 Q CB -0.479 28.391 28.738 0.220 0.000 0.898 469 Q HN 0.542 nan 8.270 nan 0.000 0.430 470 A N 0.443 123.261 122.820 -0.004 0.000 1.902 470 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 470 A C 2.308 179.896 177.584 0.007 0.000 1.181 470 A CA 1.713 53.746 52.037 -0.006 0.000 0.623 470 A CB -1.211 17.771 19.000 -0.030 0.000 0.818 470 A HN 0.548 nan 8.150 nan 0.000 0.443 471 A N 0.026 122.854 122.820 0.013 0.000 1.883 471 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 471 A C 1.926 179.523 177.584 0.022 0.000 1.186 471 A CA 1.761 53.810 52.037 0.020 0.000 0.624 471 A CB -0.567 18.451 19.000 0.029 0.000 0.822 471 A HN 0.655 nan 8.150 nan 0.000 0.444 472 E N -0.296 119.921 120.200 0.029 0.000 2.107 472 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 472 E C 1.952 178.565 176.600 0.020 0.000 0.982 472 E CA 0.910 57.327 56.400 0.029 0.000 0.809 472 E CB -0.258 29.466 29.700 0.041 0.000 0.756 472 E HN 0.607 nan 8.360 nan 0.000 0.459 473 L N 0.498 121.732 121.223 0.018 0.000 2.093 473 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 473 L C 2.651 179.522 176.870 0.000 0.000 1.085 473 L CA 0.962 55.805 54.840 0.005 0.000 0.755 473 L CB -0.142 41.917 42.059 -0.001 0.000 0.904 473 L HN 0.019 nan 8.230 nan 0.000 0.435 474 R N -0.439 120.063 120.500 0.003 0.000 2.080 474 R HA -0.037 4.303 4.340 -0.000 0.000 0.222 474 R C 1.758 178.060 176.300 0.003 0.000 1.107 474 R CA 1.517 57.618 56.100 0.001 0.000 0.980 474 R CB -0.313 29.987 30.300 0.000 0.000 0.879 474 R HN 0.339 nan 8.270 nan 0.000 0.439 475 C N 0.134 119.438 119.300 0.008 0.000 3.183 475 C HA 0.652 5.112 4.460 -0.000 0.000 0.285 475 C C 0.594 175.590 174.990 0.010 0.000 1.313 475 C CA -0.297 58.727 59.018 0.009 0.000 1.711 475 C CB -0.678 27.069 27.740 0.011 0.000 2.135 475 C HN 0.734 nan 8.230 nan 0.000 0.651 476 G N 1.698 110.505 108.800 0.011 0.000 2.758 476 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 476 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 476 G C 0.722 175.633 174.900 0.017 0.000 1.389 476 G CA 0.098 45.206 45.100 0.013 0.000 0.845 476 G HN 0.770 nan 8.290 nan 0.000 0.572 477 S N -0.574 115.137 115.700 0.019 0.000 2.419 477 S HA 0.024 4.494 4.470 -0.000 0.000 0.235 477 S C 2.433 177.046 174.600 0.022 0.000 1.019 477 S CA 1.973 60.187 58.200 0.023 0.000 0.982 477 S CB -0.290 62.923 63.200 0.021 0.000 0.789 477 S HN 2.207 nan 8.310 nan 0.000 0.490 478 G N 0.819 109.630 108.800 0.017 0.000 2.744 478 G HA2 0.332 4.292 3.960 -0.000 0.000 0.211 478 G HA3 0.332 4.292 3.960 -0.000 0.000 0.211 478 G C 0.542 175.452 174.900 0.017 0.000 1.143 478 G CA -0.006 45.104 45.100 0.016 0.000 0.788 478 G HN 0.625 nan 8.290 nan 0.000 0.534 479 L N 0.939 122.173 121.223 0.018 0.000 3.677 479 L HA -0.143 4.197 4.340 -0.000 0.000 0.464 479 L C -0.872 176.007 176.870 0.014 0.000 1.278 479 L CA -0.163 54.688 54.840 0.018 0.000 0.806 479 L CB -1.682 40.391 42.059 0.023 0.000 1.610 479 L HN 0.212 nan 8.230 nan 0.000 0.867 480 D N 1.330 121.737 120.400 0.011 0.000 2.458 480 D HA 0.286 4.926 4.640 -0.000 0.000 0.243 480 D C 1.361 177.665 176.300 0.007 0.000 1.146 480 D CA 1.365 55.370 54.000 0.008 0.000 0.877 480 D CB 1.326 42.130 40.800 0.007 0.000 1.176 480 D HN 0.553 nan 8.370 nan 0.000 0.461 481 G N 1.432 110.235 108.800 0.005 0.000 2.205 481 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.261 481 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.261 481 G C 0.464 175.367 174.900 0.005 0.000 0.980 481 G CA 0.167 45.269 45.100 0.003 0.000 0.632 481 G HN 0.511 nan 8.290 nan 0.000 0.533 482 V N 2.421 122.341 119.914 0.010 0.000 2.686 482 V HA 0.506 4.626 4.120 -0.000 0.000 0.295 482 V C 1.459 177.563 176.094 0.016 0.000 1.055 482 V CA 0.125 62.434 62.300 0.016 0.000 1.050 482 V CB 1.424 33.259 31.823 0.020 0.000 0.984 482 V HN 1.031 nan 8.190 nan 0.000 0.482 483 S N 5.006 120.717 115.700 0.020 0.000 2.569 483 S HA 0.122 4.592 4.470 -0.000 0.000 0.274 483 S C -1.716 172.893 174.600 0.015 0.000 1.353 483 S CA -0.617 57.594 58.200 0.018 0.000 1.023 483 S CB 0.465 63.681 63.200 0.027 0.000 0.876 483 S HN 0.580 nan 8.310 nan 0.000 0.540 484 P HA -0.063 nan 4.420 nan 0.000 0.215 484 P C 1.631 178.934 177.300 0.005 0.000 1.153 484 P CA 1.952 65.057 63.100 0.008 0.000 0.853 484 P CB -0.243 31.460 31.700 0.005 0.000 0.788 485 A N -0.290 122.531 122.820 0.001 0.000 1.902 485 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 485 A C 2.485 180.066 177.584 -0.004 0.000 1.181 485 A CA 2.052 54.083 52.037 -0.011 0.000 0.623 485 A CB -1.866 17.122 19.000 -0.019 0.000 0.818 485 A HN 0.271 nan 8.150 nan 0.000 0.443 486 G N -0.294 108.513 108.800 0.012 0.000 2.421 486 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 486 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 486 G C 1.684 176.602 174.900 0.030 0.000 1.171 486 G CA 1.128 46.243 45.100 0.025 0.000 0.775 486 G HN 0.565 nan 8.290 nan 0.000 0.543 487 K N 0.238 120.653 120.400 0.025 0.000 2.032 487 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 487 K C 2.457 179.076 176.600 0.032 0.000 1.048 487 K CA 1.409 57.713 56.287 0.028 0.000 0.927 487 K CB -0.171 32.342 32.500 0.022 0.000 0.712 487 K HN 0.246 nan 8.250 nan 0.000 0.441 488 K N 1.334 121.748 120.400 0.022 0.000 2.063 488 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 488 K C 2.162 178.786 176.600 0.039 0.000 1.048 488 K CA 1.156 57.457 56.287 0.023 0.000 0.928 488 K CB -0.115 32.389 32.500 0.006 0.000 0.713 488 K HN 0.125 nan 8.250 nan 0.000 0.442 489 L N 0.532 121.777 121.223 0.037 0.000 2.027 489 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 489 L C 2.094 179.035 176.870 0.119 0.000 1.074 489 L CA 1.096 55.979 54.840 0.072 0.000 0.745 489 L CB -0.172 41.915 42.059 0.047 0.000 0.898 489 L HN 0.011 nan 8.230 nan 0.000 0.433 490 V N 0.112 120.082 119.914 0.093 0.000 2.295 490 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 490 V C 2.495 178.645 176.094 0.094 0.000 1.049 490 V CA 2.147 64.505 62.300 0.096 0.000 1.024 490 V CB -0.740 31.126 31.823 0.071 0.000 0.648 490 V HN 0.566 nan 8.190 nan 0.000 0.447 491 Q N -0.033 119.811 119.800 0.072 0.000 2.124 491 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 491 Q C 2.404 178.445 176.000 0.069 0.000 0.977 491 Q CA 1.739 57.579 55.803 0.061 0.000 0.850 491 Q CB -0.437 28.327 28.738 0.043 0.000 0.901 491 Q HN 0.681 nan 8.270 nan 0.000 0.429 492 A N 0.965 123.837 122.820 0.086 0.000 1.898 492 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 492 A C 2.081 179.738 177.584 0.120 0.000 1.181 492 A CA 0.950 53.043 52.037 0.093 0.000 0.620 492 A CB -0.603 18.469 19.000 0.121 0.000 0.819 492 A HN 0.269 nan 8.150 nan 0.000 0.442 493 L N -1.011 120.318 121.223 0.177 0.000 2.017 493 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 493 L C 2.684 179.700 176.870 0.243 0.000 1.073 493 L CA 1.034 56.030 54.840 0.260 0.000 0.745 493 L CB -0.440 41.757 42.059 0.229 0.000 0.894 493 L HN 0.273 nan 8.230 nan 0.000 0.432 494 R N 0.099 120.690 120.500 0.152 0.000 2.241 494 R HA -0.114 4.226 4.340 -0.000 0.000 0.224 494 R C 1.882 178.207 176.300 0.041 0.000 1.101 494 R CA 0.633 56.798 56.100 0.108 0.000 0.995 494 R CB -0.375 29.974 30.300 0.082 0.000 0.870 494 R HN 0.441 nan 8.270 nan 0.000 0.463 495 E N 0.250 120.460 120.200 0.018 0.000 2.204 495 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 495 E C 1.312 177.837 176.600 -0.124 0.000 0.989 495 E CA 0.910 57.287 56.400 -0.038 0.000 0.824 495 E CB 0.362 30.043 29.700 -0.032 0.000 0.756 495 E HN 0.316 nan 8.360 nan 0.000 0.477 496 Q N -1.360 118.311 119.800 -0.215 0.000 2.245 496 Q HA 0.147 4.487 4.340 -0.000 0.000 0.250 496 Q C -0.278 175.248 176.000 -0.791 0.000 0.830 496 Q CA 0.139 55.616 55.803 -0.544 0.000 0.950 496 Q CB 0.813 29.071 28.738 -0.800 0.000 1.124 496 Q HN 0.085 nan 8.270 nan 0.000 0.502 497 F N 3.277 123.223 119.950 -0.008 0.000 2.500 497 F HA 0.399 4.926 4.527 -0.000 0.000 0.349 497 F C -2.094 173.721 175.800 0.026 0.000 1.127 497 F CA -2.550 55.457 58.000 0.010 0.000 0.998 497 F CB 1.508 40.520 39.000 0.018 0.000 1.237 497 F HN -0.172 nan 8.300 nan 0.000 0.439 498 P HA 0.151 nan 4.420 nan 0.000 0.272 498 P C -2.525 174.849 177.300 0.124 0.000 1.230 498 P CA -1.156 62.002 63.100 0.097 0.000 0.788 498 P CB 0.384 32.115 31.700 0.051 0.000 0.949 499 P HA 0.058 nan 4.420 nan 0.000 0.271 499 P C -0.356 176.997 177.300 0.088 0.000 1.233 499 P CA -0.186 62.980 63.100 0.110 0.000 0.789 499 P CB 0.437 32.187 31.700 0.083 0.000 0.951 500 L N 1.898 123.178 121.223 0.095 0.000 2.352 500 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 500 L C 1.244 178.125 176.870 0.017 0.000 1.109 500 L CA 0.412 55.257 54.840 0.008 0.000 0.952 500 L CB -0.643 41.340 42.059 -0.126 0.000 1.314 500 L HN 0.301 nan 8.230 nan 0.000 0.427 501 E N 1.077 121.288 120.200 0.017 0.000 2.299 501 E HA 0.041 4.390 4.350 -0.000 0.000 0.193 501 E C 0.154 176.766 176.600 0.020 0.000 0.998 501 E CA 0.406 56.820 56.400 0.023 0.000 0.851 501 E CB 0.438 30.151 29.700 0.022 0.000 0.795 501 E HN 0.568 nan 8.360 nan 0.000 0.492 502 T N 0.294 114.848 114.554 0.001 0.000 2.932 502 T HA 0.093 4.443 4.350 -0.000 0.000 0.318 502 T C -1.799 172.880 174.700 -0.036 0.000 1.265 502 T CA -0.989 61.109 62.100 -0.002 0.000 1.036 502 T CB 1.342 70.210 68.868 0.001 0.000 1.209 502 T HN -0.215 nan 8.240 nan 0.000 0.484 503 D N 2.995 123.370 120.400 -0.042 0.000 2.525 503 D HA 0.310 4.950 4.640 -0.000 0.000 0.235 503 D C 0.623 176.881 176.300 -0.070 0.000 1.137 503 D CA 0.723 54.676 54.000 -0.078 0.000 0.868 503 D CB 0.379 41.138 40.800 -0.068 0.000 1.180 503 D HN 0.698 nan 8.370 nan 0.000 0.465 504 R N 0.417 120.862 120.500 -0.092 0.000 2.716 504 R HA 0.613 4.953 4.340 -0.000 0.000 0.271 504 R C -3.146 173.114 176.300 -0.066 0.000 1.028 504 R CA -1.653 54.409 56.100 -0.063 0.000 0.883 504 R CB 0.249 30.521 30.300 -0.046 0.000 1.250 504 R HN -0.003 nan 8.270 nan 0.000 0.465 505 P HA 0.146 nan 4.420 nan 0.000 0.267 505 P C -0.330 176.959 177.300 -0.018 0.000 1.209 505 P CA -0.238 62.845 63.100 -0.029 0.000 0.763 505 P CB 0.590 32.281 31.700 -0.015 0.000 0.816 506 L N 1.695 122.907 121.223 -0.017 0.000 2.731 506 L HA 0.174 4.514 4.340 -0.000 0.000 0.240 506 L C 2.302 179.186 176.870 0.022 0.000 1.120 506 L CA 0.365 55.209 54.840 0.007 0.000 0.913 506 L CB -0.302 41.757 42.059 0.001 0.000 1.213 506 L HN 0.530 nan 8.230 nan 0.000 0.515 507 G N 0.321 109.129 108.800 0.014 0.000 2.553 507 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 507 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 507 G C 1.380 176.295 174.900 0.024 0.000 1.195 507 G CA 0.836 45.945 45.100 0.015 0.000 0.779 507 G HN 0.376 nan 8.290 nan 0.000 0.577 508 Q N -0.079 119.740 119.800 0.033 0.000 2.084 508 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 508 Q C 2.557 178.606 176.000 0.082 0.000 0.978 508 Q CA 1.377 57.208 55.803 0.047 0.000 0.844 508 Q CB -0.157 28.606 28.738 0.042 0.000 0.898 508 Q HN 0.640 nan 8.270 nan 0.000 0.426 509 E N 0.586 120.852 120.200 0.110 0.000 2.077 509 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 509 E C 2.005 178.622 176.600 0.028 0.000 0.989 509 E CA 0.875 57.396 56.400 0.201 0.000 0.800 509 E CB -0.095 29.739 29.700 0.224 0.000 0.746 509 E HN 0.349 nan 8.360 nan 0.000 0.452 510 I N 1.141 121.697 120.570 -0.023 0.000 2.163 510 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 510 I C 2.580 178.662 176.117 -0.058 0.000 1.085 510 I CA 1.110 62.364 61.300 -0.077 0.000 1.347 510 I CB -0.351 37.630 38.000 -0.031 0.000 1.044 510 I HN 0.092 nan 8.210 nan 0.000 0.408 511 A N 0.647 123.463 122.820 -0.007 0.000 1.902 511 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 511 A C 2.524 180.120 177.584 0.021 0.000 1.181 511 A CA 1.967 54.006 52.037 0.004 0.000 0.623 511 A CB -0.860 18.151 19.000 0.019 0.000 0.818 511 A HN 0.454 nan 8.150 nan 0.000 0.443 512 A N -0.651 122.210 122.820 0.068 0.000 1.898 512 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 512 A C 2.120 179.786 177.584 0.137 0.000 1.181 512 A CA 1.692 53.804 52.037 0.125 0.000 0.620 512 A CB -0.591 18.536 19.000 0.210 0.000 0.819 512 A HN 0.681 nan 8.150 nan 0.000 0.442 513 L N -0.181 121.074 121.223 0.054 0.000 2.093 513 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 513 L C 2.627 179.417 176.870 -0.133 0.000 1.085 513 L CA 2.045 56.827 54.840 -0.097 0.000 0.755 513 L CB -0.864 40.879 42.059 -0.526 0.000 0.904 513 L HN 0.341 nan 8.230 nan 0.000 0.435 514 A N -1.505 121.233 122.820 -0.135 0.000 1.908 514 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 514 A C 2.267 179.791 177.584 -0.099 0.000 1.181 514 A CA 2.352 54.300 52.037 -0.148 0.000 0.627 514 A CB -1.234 17.709 19.000 -0.094 0.000 0.818 514 A HN 0.506 nan 8.150 nan 0.000 0.445 515 T N -1.481 113.059 114.554 -0.024 0.000 2.788 515 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 515 T C 1.861 176.573 174.700 0.019 0.000 1.044 515 T CA 1.897 64.003 62.100 0.011 0.000 1.139 515 T CB -0.371 68.523 68.868 0.043 0.000 0.867 515 T HN 0.802 nan 8.240 nan 0.000 0.454 516 H N 1.135 120.165 119.070 -0.066 0.000 2.333 516 H HA 0.141 4.697 4.556 -0.000 0.000 0.302 516 H C 2.017 177.272 175.328 -0.122 0.000 1.075 516 H CA 1.149 57.163 56.048 -0.058 0.000 1.348 516 H CB -0.526 29.227 29.762 -0.014 0.000 1.393 516 H HN 0.223 nan 8.280 nan 0.000 0.509 517 L N 0.036 121.049 121.223 -0.351 0.000 2.129 517 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 517 L C 2.269 178.968 176.870 -0.286 0.000 1.087 517 L CA 1.097 55.585 54.840 -0.587 0.000 0.757 517 L CB -0.530 41.024 42.059 -0.842 0.000 0.896 517 L HN 0.341 nan 8.230 nan 0.000 0.434 518 L N -0.864 120.240 121.223 -0.198 0.000 2.376 518 L HA -0.147 4.193 4.340 -0.000 0.000 0.219 518 L C 2.193 179.028 176.870 -0.058 0.000 1.133 518 L CA 0.897 55.690 54.840 -0.079 0.000 0.816 518 L CB -0.186 41.861 42.059 -0.020 0.000 0.933 518 L HN 0.380 nan 8.230 nan 0.000 0.449 519 Q N -1.503 118.171 119.800 -0.209 0.000 2.316 519 Q HA 0.204 4.544 4.340 -0.000 0.000 0.235 519 Q C -0.030 175.544 176.000 -0.710 0.000 0.863 519 Q CA 0.074 55.723 55.803 -0.256 0.000 0.939 519 Q CB 1.033 29.736 28.738 -0.057 0.000 1.108 519 Q HN 0.441 nan 8.270 nan 0.000 0.522 520 Q N -0.062 119.275 119.800 -0.772 0.000 2.416 520 Q HA 0.488 4.828 4.340 -0.000 0.000 0.281 520 Q C -1.236 174.621 176.000 -0.238 0.000 1.067 520 Q CA -0.453 54.974 55.803 -0.628 0.000 0.809 520 Q CB 2.663 31.175 28.738 -0.377 0.000 1.418 520 Q HN -0.069 nan 8.270 nan 0.000 0.411 521 S N 1.895 117.531 115.700 -0.107 0.000 2.690 521 S HA 0.567 5.037 4.470 -0.000 0.000 0.291 521 S C -2.424 171.942 174.600 -0.389 0.000 1.138 521 S CA -1.174 56.906 58.200 -0.201 0.000 1.013 521 S CB 0.973 64.113 63.200 -0.101 0.000 1.053 521 S HN 0.419 nan 8.310 nan 0.000 0.539 522 P HA 0.355 nan 4.420 nan 0.000 0.279 522 P C -1.060 176.037 177.300 -0.339 0.000 1.318 522 P CA -0.010 62.673 63.100 -0.694 0.000 0.819 522 P CB 0.278 31.278 31.700 -1.168 0.000 0.927 523 V N 0.000 119.813 119.914 -0.168 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.239 62.300 -0.101 0.000 1.235 523 V CB 0.000 31.778 31.823 -0.074 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556