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_D 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 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.515 32.500 0.025 0.000 1.064 9 P HA 0.202 nan 4.420 nan 0.000 0.269 9 P C -1.327 175.980 177.300 0.013 0.000 1.211 9 P CA -0.269 62.841 63.100 0.017 0.000 0.781 9 P CB 0.456 32.169 31.700 0.022 0.000 0.877 10 A N 1.459 124.285 122.820 0.010 0.000 2.359 10 A HA 0.518 4.835 4.320 -0.006 0.000 0.303 10 A C -0.919 176.667 177.584 0.003 0.000 1.066 10 A CA -0.596 51.444 52.037 0.005 0.000 0.730 10 A CB 1.171 20.173 19.000 0.004 0.000 1.211 10 A HN 0.324 nan 8.150 nan 0.000 0.439 11 V N 2.644 122.557 119.914 -0.002 0.000 2.364 11 V HA 0.261 4.377 4.120 -0.006 0.000 0.272 11 V C 0.383 176.472 176.094 -0.007 0.000 1.036 11 V CA -0.258 62.039 62.300 -0.005 0.000 0.880 11 V CB 1.130 32.945 31.823 -0.013 0.000 0.991 11 V HN 0.945 nan 8.190 nan 0.000 0.460 12 E N 4.592 124.790 120.200 -0.003 0.000 2.130 12 E HA 0.350 4.696 4.350 -0.006 0.000 0.284 12 E C -0.907 175.691 176.600 -0.004 0.000 1.018 12 E CA -0.803 55.595 56.400 -0.003 0.000 0.817 12 E CB 1.236 30.937 29.700 0.002 0.000 1.078 12 E HN 0.562 nan 8.360 nan 0.000 0.396 13 L N 5.425 126.642 121.223 -0.010 0.000 2.278 13 L HA 0.255 4.591 4.340 -0.006 0.000 0.287 13 L C -0.124 176.743 176.870 -0.004 0.000 1.072 13 L CA 0.513 55.346 54.840 -0.012 0.000 0.819 13 L CB 1.187 43.233 42.059 -0.023 0.000 1.176 13 L HN 0.727 nan 8.230 nan 0.000 0.435 14 D N 2.872 123.276 120.400 0.005 0.000 3.136 14 D HA 0.179 4.815 4.640 -0.006 0.000 0.254 14 D C 1.341 177.650 176.300 0.016 0.000 1.563 14 D CA 0.899 54.906 54.000 0.011 0.000 1.225 14 D CB 0.675 41.485 40.800 0.018 0.000 1.079 14 D HN 0.593 nan 8.370 nan 0.000 0.314 15 R N -1.907 118.614 120.500 0.035 0.000 2.428 15 R HA 0.232 4.569 4.340 -0.006 0.000 0.193 15 R C 0.092 176.440 176.300 0.081 0.000 0.852 15 R CA -0.206 55.923 56.100 0.047 0.000 1.055 15 R CB 0.715 31.045 30.300 0.050 0.000 1.343 15 R HN 0.182 nan 8.270 nan 0.000 0.655 16 H N 0.404 119.467 119.070 -0.012 0.000 2.538 16 H HA 0.564 5.115 4.556 -0.007 0.000 0.353 16 H C -1.478 173.844 175.328 -0.010 0.000 1.109 16 H CA -0.727 55.313 56.048 -0.013 0.000 1.192 16 H CB 1.509 31.264 29.762 -0.012 0.000 1.555 16 H HN 0.008 nan 8.280 nan 0.000 0.518 17 I N 4.434 124.668 120.570 -0.560 0.000 2.533 17 I HA 0.268 4.435 4.170 -0.006 0.000 0.290 17 I C -1.136 174.697 176.117 -0.475 0.000 1.056 17 I CA -0.862 60.234 61.300 -0.339 0.000 1.057 17 I CB 1.435 39.323 38.000 -0.186 0.000 1.240 17 I HN 0.841 nan 8.210 nan 0.000 0.423 18 D N 6.027 126.305 120.400 -0.203 0.000 2.423 18 D HA 0.216 4.852 4.640 -0.006 0.000 0.255 18 D C 1.009 177.277 176.300 -0.053 0.000 1.174 18 D CA -0.572 53.371 54.000 -0.094 0.000 1.008 18 D CB 0.986 41.810 40.800 0.041 0.000 1.101 18 D HN 0.504 nan 8.370 nan 0.000 0.516 19 L N -0.383 120.835 121.223 -0.008 0.000 2.079 19 L HA -0.153 4.183 4.340 -0.006 0.000 0.210 19 L C 1.475 178.379 176.870 0.057 0.000 1.081 19 L CA 1.410 56.264 54.840 0.024 0.000 0.752 19 L CB -0.477 41.610 42.059 0.046 0.000 0.896 19 L HN 0.456 nan 8.230 nan 0.000 0.433 20 D N -0.286 120.148 120.400 0.057 0.000 2.117 20 D HA -0.162 4.474 4.640 -0.006 0.000 0.198 20 D C 2.340 178.677 176.300 0.062 0.000 0.982 20 D CA 1.032 55.080 54.000 0.081 0.000 0.828 20 D CB -0.088 40.752 40.800 0.068 0.000 0.967 20 D HN 0.402 nan 8.370 nan 0.000 0.464 21 Q N 0.412 120.229 119.800 0.028 0.000 2.084 21 Q HA -0.070 4.266 4.340 -0.006 0.000 0.202 21 Q C 2.244 178.238 176.000 -0.010 0.000 0.978 21 Q CA 1.376 57.183 55.803 0.007 0.000 0.844 21 Q CB -0.117 28.613 28.738 -0.013 0.000 0.898 21 Q HN 0.198 nan 8.270 nan 0.000 0.426 22 A N 0.978 123.787 122.820 -0.018 0.000 1.883 22 A HA -0.254 4.063 4.320 -0.006 0.000 0.217 22 A C 1.972 179.531 177.584 -0.042 0.000 1.186 22 A CA 1.725 53.739 52.037 -0.038 0.000 0.624 22 A CB -0.901 18.077 19.000 -0.036 0.000 0.822 22 A HN 0.459 nan 8.150 nan 0.000 0.444 23 H N -0.055 118.959 119.070 -0.094 0.000 2.423 23 H HA 0.036 4.588 4.556 -0.007 0.000 0.297 23 H C 2.228 177.468 175.328 -0.146 0.000 1.075 23 H CA 1.412 57.364 56.048 -0.160 0.000 1.342 23 H CB -0.148 29.425 29.762 -0.316 0.000 1.395 23 H HN 0.414 nan 8.280 nan 0.000 0.530 24 A N 0.435 123.244 122.820 -0.019 0.000 1.902 24 A HA -0.099 4.217 4.320 -0.006 0.000 0.217 24 A C 2.841 180.384 177.584 -0.068 0.000 1.181 24 A CA 1.567 53.597 52.037 -0.011 0.000 0.623 24 A CB -0.860 18.157 19.000 0.029 0.000 0.818 24 A HN 0.281 nan 8.150 nan 0.000 0.443 25 V N -0.207 119.658 119.914 -0.083 0.000 2.307 25 V HA -0.211 3.906 4.120 -0.006 0.000 0.245 25 V C 3.068 179.067 176.094 -0.159 0.000 1.045 25 V CA 1.905 64.150 62.300 -0.093 0.000 1.024 25 V CB -1.233 30.539 31.823 -0.084 0.000 0.651 25 V HN 0.605 nan 8.190 nan 0.000 0.449 26 A N 0.721 123.404 122.820 -0.228 0.000 1.933 26 A HA -0.191 4.125 4.320 -0.006 0.000 0.218 26 A C 2.377 179.744 177.584 -0.361 0.000 1.175 26 A CA 2.180 54.026 52.037 -0.318 0.000 0.628 26 A CB -0.658 18.156 19.000 -0.311 0.000 0.814 26 A HN 0.698 nan 8.150 nan 0.000 0.444 27 S N -1.883 113.624 115.700 -0.321 0.000 2.603 27 S HA 0.368 4.834 4.470 -0.006 0.000 0.220 27 S C 1.401 176.126 174.600 0.209 0.000 0.967 27 S CA 1.017 59.178 58.200 -0.065 0.000 0.920 27 S CB -0.387 62.681 63.200 -0.220 0.000 0.773 27 S HN 1.926 nan 8.310 nan 0.000 0.529 28 G N 0.428 109.285 108.800 0.096 0.000 2.162 28 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.260 28 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.260 28 G C 0.862 175.830 174.900 0.114 0.000 0.976 28 G CA 0.159 45.372 45.100 0.189 0.000 0.655 28 G HN 0.974 nan 8.290 nan 0.000 0.533 29 G N -0.451 108.392 108.800 0.071 0.000 2.511 29 G HA2 0.554 4.510 3.960 -0.006 0.000 0.217 29 G HA3 0.554 4.510 3.960 -0.006 0.000 0.217 29 G C 0.659 175.584 174.900 0.042 0.000 1.133 29 G CA 1.736 46.873 45.100 0.061 0.000 0.792 29 G HN 1.812 nan 8.290 nan 0.000 0.539 30 A N -0.510 122.325 122.820 0.025 0.000 2.498 30 A HA 0.808 5.124 4.320 -0.006 0.000 0.298 30 A C -0.295 177.292 177.584 0.005 0.000 1.075 30 A CA -0.825 51.221 52.037 0.015 0.000 0.714 30 A CB 1.571 20.577 19.000 0.009 0.000 1.299 30 A HN 0.195 nan 8.150 nan 0.000 0.407 31 R N -0.045 120.458 120.500 0.005 0.000 2.549 31 R HA 0.665 5.001 4.340 -0.006 0.000 0.267 31 R C -0.827 175.467 176.300 -0.011 0.000 1.045 31 R CA -0.448 55.651 56.100 -0.002 0.000 1.115 31 R CB 1.388 31.689 30.300 0.003 0.000 1.121 31 R HN 0.680 nan 8.270 nan 0.000 0.543 32 I N 1.174 121.734 120.570 -0.017 0.000 2.509 32 I HA 0.388 4.554 4.170 -0.006 0.000 0.293 32 I C -1.390 174.716 176.117 -0.017 0.000 1.020 32 I CA -0.870 60.417 61.300 -0.021 0.000 1.088 32 I CB 1.875 39.855 38.000 -0.033 0.000 1.267 32 I HN 0.284 nan 8.210 nan 0.000 0.430 33 V N 8.145 128.050 119.914 -0.014 0.000 2.709 33 V HA 0.489 4.605 4.120 -0.006 0.000 0.308 33 V C -1.309 174.777 176.094 -0.012 0.000 1.062 33 V CA -0.702 61.591 62.300 -0.012 0.000 0.901 33 V CB 2.085 33.904 31.823 -0.007 0.000 1.003 33 V HN 0.653 nan 8.190 nan 0.000 0.425 34 L N 6.600 127.815 121.223 -0.012 0.000 2.313 34 L HA 0.738 5.074 4.340 -0.006 0.000 0.282 34 L C 0.737 177.602 176.870 -0.008 0.000 1.092 34 L CA 0.688 55.521 54.840 -0.012 0.000 0.831 34 L CB 0.814 42.865 42.059 -0.014 0.000 1.159 34 L HN 0.920 nan 8.230 nan 0.000 0.442 35 A N 6.907 129.724 122.820 -0.005 0.000 2.445 35 A HA 0.383 4.699 4.320 -0.006 0.000 0.242 35 A C -1.557 176.025 177.584 -0.002 0.000 1.075 35 A CA -0.826 51.210 52.037 -0.002 0.000 0.777 35 A CB -0.327 18.674 19.000 0.002 0.000 1.013 35 A HN 0.785 nan 8.150 nan 0.000 0.493 36 P HA -0.163 nan 4.420 nan 0.000 0.216 36 P C -1.465 175.834 177.300 -0.001 0.000 1.154 36 P CA 1.896 64.995 63.100 -0.002 0.000 0.865 36 P CB -0.754 30.945 31.700 -0.001 0.000 0.789 37 P HA -0.120 nan 4.420 nan 0.000 0.218 37 P C 1.362 178.663 177.300 0.002 0.000 1.149 37 P CA 1.857 64.959 63.100 0.002 0.000 0.817 37 P CB -0.570 31.133 31.700 0.004 0.000 0.785 38 A N -0.309 122.511 122.820 0.000 0.000 1.897 38 A HA -0.153 4.164 4.320 -0.006 0.000 0.215 38 A C 2.393 179.974 177.584 -0.004 0.000 1.181 38 A CA 1.168 53.205 52.037 -0.001 0.000 0.620 38 A CB -1.049 17.949 19.000 -0.003 0.000 0.821 38 A HN -0.007 nan 8.150 nan 0.000 0.443 39 R N -0.168 120.328 120.500 -0.007 0.000 2.081 39 R HA -0.170 4.166 4.340 -0.006 0.000 0.235 39 R C 1.308 177.602 176.300 -0.010 0.000 1.131 39 R CA 1.933 58.027 56.100 -0.010 0.000 0.960 39 R CB -0.336 29.958 30.300 -0.010 0.000 0.856 39 R HN 0.463 nan 8.270 nan 0.000 0.436 40 D N 0.130 120.527 120.400 -0.006 0.000 2.117 40 D HA -0.173 4.463 4.640 -0.006 0.000 0.198 40 D C 1.990 178.288 176.300 -0.003 0.000 0.982 40 D CA 1.437 55.434 54.000 -0.005 0.000 0.828 40 D CB -0.194 40.604 40.800 -0.002 0.000 0.967 40 D HN 0.465 nan 8.370 nan 0.000 0.464 41 R N 0.351 120.851 120.500 0.000 0.000 2.148 41 R HA 0.014 4.350 4.340 -0.006 0.000 0.223 41 R C 2.048 178.350 176.300 0.004 0.000 1.088 41 R CA 1.004 57.106 56.100 0.004 0.000 0.985 41 R CB -0.762 29.543 30.300 0.008 0.000 0.880 41 R HN 0.072 nan 8.270 nan 0.000 0.451 42 C N 0.772 120.071 119.300 -0.002 0.000 2.475 42 C HA 0.171 4.627 4.460 -0.006 0.000 0.279 42 C C 2.618 177.598 174.990 -0.016 0.000 1.322 42 C CA 0.356 59.371 59.018 -0.006 0.000 1.734 42 C CB -0.731 27.002 27.740 -0.012 0.000 2.005 42 C HN 0.530 nan 8.230 nan 0.000 0.495 43 R N 1.118 121.607 120.500 -0.018 0.000 2.096 43 R HA -0.097 4.240 4.340 -0.006 0.000 0.235 43 R C 2.368 178.656 176.300 -0.021 0.000 1.127 43 R CA 1.562 57.648 56.100 -0.024 0.000 0.968 43 R CB -0.448 29.840 30.300 -0.019 0.000 0.861 43 R HN 0.539 nan 8.270 nan 0.000 0.440 44 A N 0.269 123.082 122.820 -0.012 0.000 1.902 44 A HA -0.185 4.132 4.320 -0.006 0.000 0.217 44 A C 2.190 179.766 177.584 -0.014 0.000 1.181 44 A CA 1.847 53.879 52.037 -0.009 0.000 0.623 44 A CB -0.581 18.419 19.000 0.001 0.000 0.818 44 A HN 0.297 nan 8.150 nan 0.000 0.443 45 S N -0.843 114.853 115.700 -0.007 0.000 2.368 45 S HA -0.198 4.268 4.470 -0.006 0.000 0.224 45 S C 2.025 176.587 174.600 -0.063 0.000 1.029 45 S CA 1.579 59.775 58.200 -0.006 0.000 0.988 45 S CB -0.339 62.882 63.200 0.035 0.000 0.838 45 S HN 0.672 nan 8.310 nan 0.000 0.462 46 E N 0.353 120.520 120.200 -0.055 0.000 2.085 46 E HA -0.158 4.188 4.350 -0.006 0.000 0.194 46 E C 2.087 178.639 176.600 -0.080 0.000 0.994 46 E CA 1.110 57.465 56.400 -0.074 0.000 0.801 46 E CB -0.359 29.301 29.700 -0.065 0.000 0.743 46 E HN 0.604 nan 8.360 nan 0.000 0.453 47 A N 1.342 124.127 122.820 -0.058 0.000 1.902 47 A HA -0.181 4.135 4.320 -0.006 0.000 0.217 47 A C 2.148 179.685 177.584 -0.079 0.000 1.181 47 A CA 1.448 53.456 52.037 -0.049 0.000 0.623 47 A CB -0.458 18.525 19.000 -0.029 0.000 0.818 47 A HN 0.189 nan 8.150 nan 0.000 0.443 48 R N -1.143 119.298 120.500 -0.099 0.000 2.096 48 R HA -0.121 4.216 4.340 -0.006 0.000 0.235 48 R C 2.091 178.231 176.300 -0.267 0.000 1.127 48 R CA 1.400 57.422 56.100 -0.129 0.000 0.968 48 R CB -0.626 29.623 30.300 -0.085 0.000 0.861 48 R HN 0.497 nan 8.270 nan 0.000 0.440 49 L N 0.631 121.614 121.223 -0.400 0.000 2.046 49 L HA -0.029 4.307 4.340 -0.006 0.000 0.208 49 L C 2.155 178.877 176.870 -0.246 0.000 1.077 49 L CA 2.101 56.617 54.840 -0.540 0.000 0.747 49 L CB -0.991 40.786 42.059 -0.469 0.000 0.896 49 L HN 0.161 nan 8.230 nan 0.000 0.432 50 G N -1.074 107.641 108.800 -0.141 0.000 2.418 50 G HA2 -0.254 3.703 3.960 -0.006 0.000 0.217 50 G HA3 -0.254 3.703 3.960 -0.006 0.000 0.217 50 G C 1.596 176.461 174.900 -0.059 0.000 1.158 50 G CA 0.834 45.893 45.100 -0.068 0.000 0.771 50 G HN 0.645 nan 8.290 nan 0.000 0.545 51 A N 0.093 122.873 122.820 -0.066 0.000 1.902 51 A HA 0.093 4.409 4.320 -0.006 0.000 0.217 51 A C 2.599 180.166 177.584 -0.027 0.000 1.181 51 A CA 1.743 53.758 52.037 -0.037 0.000 0.623 51 A CB -0.634 18.348 19.000 -0.030 0.000 0.818 51 A HN 0.250 nan 8.150 nan 0.000 0.443 52 V N 0.294 120.177 119.914 -0.053 0.000 2.343 52 V HA -0.277 3.839 4.120 -0.006 0.000 0.247 52 V C 2.407 178.510 176.094 0.015 0.000 1.051 52 V CA 2.097 64.396 62.300 -0.002 0.000 1.036 52 V CB -0.620 31.195 31.823 -0.014 0.000 0.654 52 V HN 0.580 nan 8.190 nan 0.000 0.451 53 I N -0.633 119.928 120.570 -0.015 0.000 2.252 53 I HA -0.194 3.973 4.170 -0.006 0.000 0.245 53 I C 2.698 178.817 176.117 0.003 0.000 1.102 53 I CA 1.360 62.661 61.300 0.002 0.000 1.385 53 I CB -0.426 37.567 38.000 -0.011 0.000 1.064 53 I HN 0.218 nan 8.210 nan 0.000 0.414 54 R N 0.917 121.414 120.500 -0.005 0.000 2.115 54 R HA -0.136 4.201 4.340 -0.006 0.000 0.230 54 R C 1.598 177.902 176.300 0.006 0.000 1.111 54 R CA 1.153 57.252 56.100 -0.003 0.000 0.976 54 R CB -0.228 30.068 30.300 -0.007 0.000 0.870 54 R HN 0.490 nan 8.270 nan 0.000 0.445 55 E N 0.116 120.324 120.200 0.013 0.000 2.489 55 E HA 0.133 4.479 4.350 -0.006 0.000 0.193 55 E C 0.360 176.978 176.600 0.029 0.000 1.057 55 E CA 0.328 56.741 56.400 0.021 0.000 0.866 55 E CB 0.502 30.219 29.700 0.028 0.000 0.916 55 E HN 0.301 nan 8.360 nan 0.000 0.500 56 A N 2.149 124.987 122.820 0.031 0.000 2.822 56 A HA -0.224 4.093 4.320 -0.006 0.000 0.287 56 A C 0.136 177.757 177.584 0.062 0.000 1.479 56 A CA 0.553 52.611 52.037 0.036 0.000 0.779 56 A CB -1.377 17.633 19.000 0.017 0.000 1.022 56 A HN 0.152 nan 8.150 nan 0.000 0.532 57 R N 0.177 120.729 120.500 0.088 0.000 2.623 57 R HA 0.071 4.407 4.340 -0.006 0.000 0.271 57 R C 0.517 176.932 176.300 0.192 0.000 1.043 57 R CA -0.025 56.153 56.100 0.131 0.000 1.083 57 R CB 0.025 30.413 30.300 0.147 0.000 0.974 57 R HN 0.713 nan 8.270 nan 0.000 0.436 58 H N 1.975 121.086 119.070 0.068 0.000 3.160 58 H HA 0.190 4.744 4.556 -0.004 0.000 0.257 58 H C -0.853 174.543 175.328 0.114 0.000 1.140 58 H CA -0.346 55.734 56.048 0.054 0.000 1.492 58 H CB 0.203 29.971 29.762 0.009 0.000 1.529 58 H HN 0.052 nan 8.280 nan 0.000 0.490 59 V N 6.420 126.514 119.914 0.299 0.000 2.686 59 V HA -0.005 4.111 4.120 -0.006 0.000 0.306 59 V C -0.757 175.547 176.094 0.350 0.000 1.065 59 V CA -1.004 61.507 62.300 0.351 0.000 0.894 59 V CB 1.358 33.400 31.823 0.366 0.000 1.004 59 V HN 0.648 nan 8.190 nan 0.000 0.424 60 Y N 3.803 124.335 120.300 0.386 0.000 2.805 60 Y HA 0.358 4.910 4.550 0.004 0.000 0.331 60 Y C 1.358 177.352 175.900 0.157 0.000 1.241 60 Y CA 1.864 60.093 58.100 0.215 0.000 1.546 60 Y CB 0.480 39.118 38.460 0.297 0.000 1.248 60 Y HN 1.061 nan 8.280 nan 0.000 0.559 61 G N 4.027 112.560 108.800 -0.444 0.000 2.225 61 G HA2 -0.300 3.657 3.960 -0.006 0.000 0.254 61 G HA3 -0.300 3.657 3.960 -0.006 0.000 0.254 61 G C 0.630 175.499 174.900 -0.052 0.000 0.988 61 G CA 0.542 45.485 45.100 -0.260 0.000 0.625 61 G HN 0.670 nan 8.290 nan 0.000 0.527 62 L N 0.018 121.249 121.223 0.013 0.000 2.577 62 L HA 0.307 4.644 4.340 -0.006 0.000 0.225 62 L C 2.047 178.929 176.870 0.020 0.000 1.053 62 L CA 1.542 56.415 54.840 0.056 0.000 0.866 62 L CB 0.553 42.691 42.059 0.131 0.000 1.132 62 L HN 0.468 nan 8.230 nan 0.000 0.486 63 T N -3.840 110.726 114.554 0.021 0.000 3.475 63 T HA 0.203 4.549 4.350 -0.006 0.000 0.310 63 T C 0.153 174.847 174.700 -0.009 0.000 0.963 63 T CA 0.086 62.195 62.100 0.015 0.000 0.985 63 T CB -0.006 68.903 68.868 0.068 0.000 1.198 63 T HN 0.174 nan 8.240 nan 0.000 0.508 64 T N -2.065 112.424 114.554 -0.107 0.000 2.816 64 T HA 0.781 5.127 4.350 -0.006 0.000 0.299 64 T C 0.478 174.925 174.700 -0.422 0.000 1.230 64 T CA -0.278 61.734 62.100 -0.148 0.000 1.007 64 T CB 1.379 70.248 68.868 0.001 0.000 1.289 64 T HN 0.338 nan 8.240 nan 0.000 0.508 65 G N -0.215 108.383 108.800 -0.337 0.000 2.588 65 G HA2 0.571 4.527 3.960 -0.006 0.000 0.278 65 G HA3 0.571 4.527 3.960 -0.006 0.000 0.278 65 G C -1.080 173.435 174.900 -0.642 0.000 1.307 65 G CA -0.791 44.033 45.100 -0.461 0.000 1.016 65 G HN 0.539 nan 8.290 nan 0.000 0.503 66 F N -0.662 119.255 119.950 -0.055 0.000 2.470 66 F HA 0.598 5.120 4.527 -0.009 0.000 0.329 66 F C 1.211 177.121 175.800 0.183 0.000 1.072 66 F CA 0.407 58.434 58.000 0.044 0.000 0.989 66 F CB 1.356 40.444 39.000 0.148 0.000 1.193 66 F HN 1.017 nan 8.300 nan 0.000 0.481 67 G N 2.120 111.259 108.800 0.565 0.000 2.596 67 G HA2 -0.275 3.681 3.960 -0.006 0.000 0.295 67 G HA3 -0.275 3.681 3.960 -0.006 0.000 0.295 67 G C -1.668 173.359 174.900 0.211 0.000 1.240 67 G CA 0.040 45.324 45.100 0.307 0.000 0.985 67 G HN 0.558 nan 8.290 nan 0.000 0.555 68 P HA 0.087 nan 4.420 nan 0.000 0.237 68 P C 1.708 179.046 177.300 0.064 0.000 1.178 68 P CA 0.952 64.100 63.100 0.081 0.000 0.766 68 P CB -0.067 31.664 31.700 0.052 0.000 0.876 69 L N -0.970 120.290 121.223 0.063 0.000 2.591 69 L HA 0.176 4.512 4.340 -0.006 0.000 0.228 69 L C 2.369 179.247 176.870 0.013 0.000 1.133 69 L CA 0.249 55.100 54.840 0.018 0.000 0.880 69 L CB -0.647 41.401 42.059 -0.018 0.000 1.033 69 L HN -0.080 nan 8.230 nan 0.000 0.450 70 A N 1.478 124.344 122.820 0.077 0.000 2.125 70 A HA -0.197 4.120 4.320 -0.006 0.000 0.219 70 A C 1.949 179.579 177.584 0.076 0.000 1.156 70 A CA 1.582 53.676 52.037 0.095 0.000 0.671 70 A CB -0.562 18.600 19.000 0.270 0.000 0.794 70 A HN 0.663 nan 8.150 nan 0.000 0.459 71 N N -0.507 118.227 118.700 0.057 0.000 2.571 71 N HA -0.055 4.682 4.740 -0.006 0.000 0.189 71 N C 0.032 175.550 175.510 0.014 0.000 1.154 71 N CA 0.320 53.397 53.050 0.045 0.000 0.907 71 N CB -0.229 38.278 38.487 0.033 0.000 0.977 71 N HN 0.207 nan 8.380 nan 0.000 0.449 72 R N 1.044 121.540 120.500 -0.007 0.000 2.230 72 R HA 0.387 4.723 4.340 -0.006 0.000 0.337 72 R C -0.121 176.149 176.300 -0.050 0.000 1.063 72 R CA -0.336 55.744 56.100 -0.033 0.000 0.935 72 R CB 0.622 30.895 30.300 -0.045 0.000 1.121 72 R HN 0.147 nan 8.270 nan 0.000 0.486 73 L N 3.664 124.856 121.223 -0.053 0.000 2.467 73 L HA 0.287 4.623 4.340 -0.006 0.000 0.270 73 L C 0.227 177.055 176.870 -0.069 0.000 1.205 73 L CA -0.087 54.711 54.840 -0.070 0.000 0.828 73 L CB 0.395 42.388 42.059 -0.109 0.000 1.101 73 L HN 0.348 nan 8.230 nan 0.000 0.479 74 I N 0.749 121.278 120.570 -0.069 0.000 2.608 74 I HA 0.269 4.435 4.170 -0.006 0.000 0.295 74 I C 0.086 176.177 176.117 -0.044 0.000 1.049 74 I CA -0.396 60.867 61.300 -0.062 0.000 1.063 74 I CB 1.839 39.789 38.000 -0.083 0.000 1.248 74 I HN 0.506 nan 8.210 nan 0.000 0.424 75 S N 3.049 118.728 115.700 -0.035 0.000 2.580 75 S HA 0.259 4.726 4.470 -0.006 0.000 0.274 75 S C 1.397 175.985 174.600 -0.019 0.000 1.329 75 S CA -0.110 58.074 58.200 -0.026 0.000 1.036 75 S CB 1.409 64.596 63.200 -0.022 0.000 0.919 75 S HN 0.918 nan 8.310 nan 0.000 0.515 76 G N 1.550 110.342 108.800 -0.014 0.000 2.479 76 G HA2 -0.225 3.731 3.960 -0.006 0.000 0.220 76 G HA3 -0.225 3.731 3.960 -0.006 0.000 0.220 76 G C 1.094 175.988 174.900 -0.010 0.000 1.115 76 G CA 0.834 45.928 45.100 -0.009 0.000 0.757 76 G HN 0.897 nan 8.290 nan 0.000 0.560 77 E N -0.059 120.135 120.200 -0.011 0.000 2.478 77 E HA -0.008 4.339 4.350 -0.006 0.000 0.198 77 E C 0.877 177.472 176.600 -0.008 0.000 1.046 77 E CA 0.566 56.960 56.400 -0.010 0.000 0.870 77 E CB -0.034 29.660 29.700 -0.010 0.000 0.818 77 E HN 0.336 nan 8.360 nan 0.000 0.527 78 N N 0.385 119.080 118.700 -0.008 0.000 2.194 78 N HA 0.069 4.806 4.740 -0.006 0.000 0.231 78 N C 1.118 176.628 175.510 -0.000 0.000 1.247 78 N CA 0.068 53.115 53.050 -0.004 0.000 0.884 78 N CB 1.342 39.825 38.487 -0.007 0.000 1.146 78 N HN 0.009 nan 8.380 nan 0.000 0.516 79 V N 1.256 121.170 119.914 -0.001 0.000 2.407 79 V HA -0.176 3.940 4.120 -0.006 0.000 0.248 79 V C 2.372 178.480 176.094 0.022 0.000 1.055 79 V CA 1.561 63.865 62.300 0.008 0.000 1.049 79 V CB -0.308 31.521 31.823 0.009 0.000 0.662 79 V HN 0.251 nan 8.190 nan 0.000 0.455 80 R N -0.199 120.308 120.500 0.012 0.000 2.096 80 R HA -0.134 4.202 4.340 -0.006 0.000 0.235 80 R C 2.423 178.729 176.300 0.010 0.000 1.127 80 R CA 1.895 58.000 56.100 0.009 0.000 0.968 80 R CB -0.696 29.602 30.300 -0.002 0.000 0.861 80 R HN 0.499 nan 8.270 nan 0.000 0.440 81 T N 1.807 116.371 114.554 0.016 0.000 2.777 81 T HA -0.117 4.229 4.350 -0.006 0.000 0.266 81 T C 1.741 176.469 174.700 0.048 0.000 1.040 81 T CA 0.975 63.089 62.100 0.024 0.000 1.141 81 T CB -0.211 68.673 68.868 0.028 0.000 0.868 81 T HN 0.081 nan 8.240 nan 0.000 0.444 82 L N 1.476 122.738 121.223 0.065 0.000 1.970 82 L HA -0.155 4.182 4.340 -0.006 0.000 0.212 82 L C 2.403 179.408 176.870 0.224 0.000 1.071 82 L CA 1.873 56.794 54.840 0.136 0.000 0.751 82 L CB -0.738 41.359 42.059 0.063 0.000 0.889 82 L HN 0.251 nan 8.230 nan 0.000 0.432 83 Q N -0.858 119.030 119.800 0.148 0.000 2.291 83 Q HA -0.090 4.247 4.340 -0.006 0.000 0.205 83 Q C 2.137 178.105 176.000 -0.054 0.000 0.970 83 Q CA 1.117 56.976 55.803 0.093 0.000 0.876 83 Q CB -0.271 28.508 28.738 0.069 0.000 0.935 83 Q HN 0.716 nan 8.270 nan 0.000 0.455 84 A N 1.538 124.309 122.820 -0.081 0.000 1.929 84 A HA -0.141 4.175 4.320 -0.006 0.000 0.216 84 A C 1.724 179.055 177.584 -0.422 0.000 1.176 84 A CA 1.120 53.006 52.037 -0.251 0.000 0.628 84 A CB -0.196 18.695 19.000 -0.181 0.000 0.816 84 A HN 0.246 nan 8.150 nan 0.000 0.444 85 N N -0.155 118.473 118.700 -0.120 0.000 2.331 85 N HA -0.085 4.652 4.740 -0.006 0.000 0.180 85 N C 1.524 177.108 175.510 0.122 0.000 1.019 85 N CA 1.086 54.174 53.050 0.063 0.000 0.881 85 N CB -0.459 38.158 38.487 0.216 0.000 0.972 85 N HN 0.439 nan 8.380 nan 0.000 0.435 86 L N 0.883 122.093 121.223 -0.021 0.000 1.989 86 L HA -0.090 4.246 4.340 -0.006 0.000 0.211 86 L C 1.881 178.325 176.870 -0.710 0.000 1.071 86 L CA 1.449 56.020 54.840 -0.448 0.000 0.749 86 L CB -0.666 41.029 42.059 -0.606 0.000 0.890 86 L HN -0.109 nan 8.230 nan 0.000 0.431 87 V N -0.453 119.192 119.914 -0.447 0.000 2.594 87 V HA -0.316 3.800 4.120 -0.006 0.000 0.253 87 V C 2.328 178.258 176.094 -0.273 0.000 1.069 87 V CA 2.086 64.157 62.300 -0.381 0.000 1.082 87 V CB -1.058 30.594 31.823 -0.286 0.000 0.680 87 V HN 0.623 nan 8.190 nan 0.000 0.469 88 H N -0.305 118.630 119.070 -0.225 0.000 2.284 88 H HA -0.135 4.417 4.556 -0.006 0.000 0.304 88 H C 2.244 177.508 175.328 -0.107 0.000 1.069 88 H CA 1.821 57.792 56.048 -0.129 0.000 1.327 88 H CB -0.220 29.535 29.762 -0.012 0.000 1.387 88 H HN 0.602 nan 8.280 nan 0.000 0.498 89 F N 0.687 120.665 119.950 0.047 0.000 2.365 89 F HA -0.020 4.502 4.527 -0.009 0.000 0.300 89 F C 1.622 177.393 175.800 -0.048 0.000 1.090 89 F CA 0.766 58.764 58.000 -0.004 0.000 1.408 89 F CB -0.703 38.300 39.000 0.005 0.000 1.060 89 F HN 0.000 nan 8.300 nan 0.000 0.534 90 L N 0.644 121.495 121.223 -0.620 0.000 2.418 90 L HA 0.212 4.548 4.340 -0.006 0.000 0.218 90 L C 1.925 178.638 176.870 -0.262 0.000 1.125 90 L CA 0.431 54.991 54.840 -0.466 0.000 0.835 90 L CB -0.672 40.990 42.059 -0.662 0.000 0.953 90 L HN 0.268 nan 8.230 nan 0.000 0.454 91 A N 0.169 122.799 122.820 -0.317 0.000 3.029 91 A HA 0.137 4.453 4.320 -0.006 0.000 0.251 91 A C 1.207 178.725 177.584 -0.109 0.000 1.749 91 A CA 0.287 52.013 52.037 -0.519 0.000 1.386 91 A CB -0.684 17.932 19.000 -0.640 0.000 1.043 91 A HN 0.362 nan 8.150 nan 0.000 0.638 92 S N -0.524 115.220 115.700 0.074 0.000 2.574 92 S HA 0.389 4.856 4.470 -0.006 0.000 0.242 92 S C 0.843 175.545 174.600 0.169 0.000 0.982 92 S CA 0.050 58.325 58.200 0.125 0.000 0.977 92 S CB 0.054 63.303 63.200 0.081 0.000 0.814 92 S HN 0.745 nan 8.310 nan 0.000 0.464 93 G N 1.439 110.445 108.800 0.344 0.000 2.544 93 G HA2 0.511 4.468 3.960 -0.006 0.000 0.242 93 G HA3 0.511 4.468 3.960 -0.006 0.000 0.242 93 G C -0.153 174.723 174.900 -0.041 0.000 1.247 93 G CA 0.069 45.214 45.100 0.074 0.000 0.840 93 G HN 1.062 nan 8.290 nan 0.000 0.578 94 V N -1.138 118.741 119.914 -0.058 0.000 3.182 94 V HA 1.028 5.145 4.120 -0.006 0.000 0.308 94 V C 0.532 176.590 176.094 -0.059 0.000 1.240 94 V CA -0.077 62.191 62.300 -0.053 0.000 1.063 94 V CB 1.118 32.931 31.823 -0.017 0.000 1.076 94 V HN 2.572 nan 8.190 nan 0.000 0.446 95 G N 0.686 109.459 108.800 -0.045 0.000 2.712 95 G HA2 0.053 4.009 3.960 -0.006 0.000 0.683 95 G HA3 0.053 4.009 3.960 -0.006 0.000 0.683 95 G C -3.028 171.846 174.900 -0.042 0.000 1.320 95 G CA -0.342 44.737 45.100 -0.036 0.000 0.847 95 G HN 1.009 nan 8.290 nan 0.000 0.553 96 P HA 0.377 nan 4.420 nan 0.000 0.266 96 P C 0.828 178.109 177.300 -0.031 0.000 1.195 96 P CA 0.124 63.211 63.100 -0.020 0.000 0.768 96 P CB 0.725 32.422 31.700 -0.005 0.000 0.838 97 V N 1.942 121.838 119.914 -0.030 0.000 3.096 97 V HA 0.142 4.258 4.120 -0.006 0.000 0.306 97 V C 0.288 176.374 176.094 -0.013 0.000 1.088 97 V CA -0.525 61.752 62.300 -0.039 0.000 1.129 97 V CB -0.285 31.520 31.823 -0.031 0.000 1.014 97 V HN 0.245 nan 8.190 nan 0.000 0.486 98 L N 2.556 123.767 121.223 -0.020 0.000 2.461 98 L HA 0.276 4.613 4.340 -0.006 0.000 0.272 98 L C 0.595 177.483 176.870 0.031 0.000 1.197 98 L CA -0.281 54.560 54.840 0.001 0.000 0.836 98 L CB 0.248 42.297 42.059 -0.017 0.000 1.105 98 L HN 1.023 nan 8.230 nan 0.000 0.477 99 D N -0.030 120.405 120.400 0.058 0.000 2.368 99 D HA -0.121 4.516 4.640 -0.006 0.000 0.240 99 D C 0.725 177.115 176.300 0.150 0.000 1.169 99 D CA -0.422 53.645 54.000 0.113 0.000 0.906 99 D CB 0.535 41.407 40.800 0.120 0.000 1.187 99 D HN 0.549 nan 8.370 nan 0.000 0.435 100 W N 1.404 122.707 121.300 0.005 0.000 2.290 100 W HA -0.317 4.340 4.660 -0.005 0.000 0.323 100 W C 2.150 178.663 176.519 -0.010 0.000 1.260 100 W CA 2.818 60.166 57.345 0.004 0.000 1.266 100 W CB -0.806 28.660 29.460 0.009 0.000 1.149 100 W HN 0.458 nan 8.180 nan 0.000 0.482 101 T N -0.466 114.216 114.554 0.214 0.000 2.821 101 T HA -0.189 4.157 4.350 -0.006 0.000 0.267 101 T C 1.556 176.180 174.700 -0.127 0.000 1.046 101 T CA 2.142 64.217 62.100 -0.042 0.000 1.139 101 T CB -0.816 68.122 68.868 0.117 0.000 0.871 101 T HN 0.187 nan 8.240 nan 0.000 0.454 102 T N 1.929 116.465 114.554 -0.029 0.000 2.777 102 T HA 0.063 4.409 4.350 -0.006 0.000 0.266 102 T C 2.443 177.095 174.700 -0.079 0.000 1.040 102 T CA 1.018 63.099 62.100 -0.032 0.000 1.141 102 T CB -0.481 68.397 68.868 0.017 0.000 0.868 102 T HN 0.420 nan 8.240 nan 0.000 0.444 103 A N 1.718 124.479 122.820 -0.099 0.000 1.933 103 A HA -0.095 4.222 4.320 -0.006 0.000 0.218 103 A C 2.364 179.842 177.584 -0.177 0.000 1.175 103 A CA 1.328 53.293 52.037 -0.120 0.000 0.628 103 A CB -0.425 18.508 19.000 -0.112 0.000 0.814 103 A HN 0.393 nan 8.150 nan 0.000 0.444 104 R N -0.667 119.663 120.500 -0.283 0.000 2.115 104 R HA 0.048 4.384 4.340 -0.006 0.000 0.226 104 R C 2.407 178.573 176.300 -0.223 0.000 1.100 104 R CA 0.980 56.886 56.100 -0.323 0.000 0.980 104 R CB -0.365 29.597 30.300 -0.565 0.000 0.875 104 R HN 0.494 nan 8.270 nan 0.000 0.445 105 A N 1.114 123.821 122.820 -0.188 0.000 1.972 105 A HA -0.178 4.138 4.320 -0.006 0.000 0.219 105 A C 2.099 179.627 177.584 -0.094 0.000 1.169 105 A CA 1.228 53.187 52.037 -0.129 0.000 0.635 105 A CB -0.422 18.525 19.000 -0.088 0.000 0.810 105 A HN 0.318 nan 8.150 nan 0.000 0.446 106 M N -0.284 119.263 119.600 -0.088 0.000 2.099 106 M HA -0.119 4.358 4.480 -0.006 0.000 0.262 106 M C 1.899 178.156 176.300 -0.071 0.000 1.067 106 M CA 2.009 57.269 55.300 -0.067 0.000 1.124 106 M CB -0.246 32.318 32.600 -0.061 0.000 1.353 106 M HN 0.187 nan 8.290 nan 0.000 0.410 107 V N 1.181 121.042 119.914 -0.088 0.000 2.332 107 V HA -0.285 3.832 4.120 -0.006 0.000 0.248 107 V C 2.439 178.489 176.094 -0.073 0.000 1.055 107 V CA 1.861 64.114 62.300 -0.078 0.000 1.038 107 V CB -0.995 30.773 31.823 -0.091 0.000 0.651 107 V HN 0.611 nan 8.190 nan 0.000 0.450 108 L N 0.853 122.023 121.223 -0.088 0.000 2.083 108 L HA -0.048 4.288 4.340 -0.006 0.000 0.209 108 L C 2.418 179.248 176.870 -0.065 0.000 1.083 108 L CA 2.301 57.093 54.840 -0.080 0.000 0.752 108 L CB -0.895 41.106 42.059 -0.096 0.000 0.899 108 L HN 0.202 nan 8.230 nan 0.000 0.433 109 A N -0.337 122.446 122.820 -0.062 0.000 1.933 109 A HA -0.245 4.071 4.320 -0.006 0.000 0.218 109 A C 2.456 180.014 177.584 -0.043 0.000 1.175 109 A CA 1.755 53.761 52.037 -0.052 0.000 0.628 109 A CB -0.598 18.374 19.000 -0.046 0.000 0.814 109 A HN 0.487 nan 8.150 nan 0.000 0.444 110 R N -0.642 119.834 120.500 -0.040 0.000 2.075 110 R HA -0.070 4.266 4.340 -0.006 0.000 0.232 110 R C 1.926 178.210 176.300 -0.028 0.000 1.126 110 R CA 1.538 57.620 56.100 -0.030 0.000 0.963 110 R CB -0.645 29.636 30.300 -0.031 0.000 0.858 110 R HN 0.437 nan 8.270 nan 0.000 0.435 111 L N -0.154 121.047 121.223 -0.035 0.000 2.017 111 L HA -0.090 4.247 4.340 -0.006 0.000 0.208 111 L C 1.921 178.773 176.870 -0.031 0.000 1.073 111 L CA 1.625 56.445 54.840 -0.032 0.000 0.745 111 L CB -0.513 41.523 42.059 -0.039 0.000 0.894 111 L HN 0.068 nan 8.230 nan 0.000 0.432 112 V N -0.981 118.910 119.914 -0.040 0.000 2.343 112 V HA -0.280 3.836 4.120 -0.006 0.000 0.247 112 V C 2.773 178.849 176.094 -0.030 0.000 1.051 112 V CA 1.813 64.088 62.300 -0.041 0.000 1.036 112 V CB -0.924 30.863 31.823 -0.059 0.000 0.654 112 V HN 0.644 nan 8.190 nan 0.000 0.451 113 S N -0.270 115.414 115.700 -0.028 0.000 2.356 113 S HA -0.169 4.298 4.470 -0.006 0.000 0.223 113 S C 1.939 176.535 174.600 -0.007 0.000 1.032 113 S CA 1.813 60.002 58.200 -0.019 0.000 1.005 113 S CB -0.365 62.825 63.200 -0.016 0.000 0.867 113 S HN 0.520 nan 8.310 nan 0.000 0.449 114 I N 1.664 122.232 120.570 -0.005 0.000 2.286 114 I HA -0.172 3.994 4.170 -0.006 0.000 0.248 114 I C 2.659 178.778 176.117 0.004 0.000 1.115 114 I CA 1.104 62.407 61.300 0.005 0.000 1.392 114 I CB -0.510 37.491 38.000 0.000 0.000 1.065 114 I HN 0.384 nan 8.210 nan 0.000 0.418 115 A N -0.002 122.815 122.820 -0.006 0.000 2.178 115 A HA -0.182 4.135 4.320 -0.006 0.000 0.218 115 A C 2.045 179.630 177.584 0.002 0.000 1.157 115 A CA 1.074 53.108 52.037 -0.005 0.000 0.689 115 A CB -0.306 18.687 19.000 -0.012 0.000 0.787 115 A HN 0.400 nan 8.150 nan 0.000 0.465 116 Q N -1.063 118.739 119.800 0.004 0.000 2.436 116 Q HA 0.079 4.416 4.340 -0.006 0.000 0.209 116 Q C 1.228 177.238 176.000 0.017 0.000 0.965 116 Q CA 0.747 56.555 55.803 0.008 0.000 0.910 116 Q CB -0.577 28.163 28.738 0.004 0.000 0.980 116 Q HN 1.013 nan 8.270 nan 0.000 0.491 117 G N 0.549 109.362 108.800 0.023 0.000 2.225 117 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.264 117 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.264 117 G C 0.461 175.397 174.900 0.061 0.000 1.060 117 G CA 0.434 45.555 45.100 0.034 0.000 0.833 117 G HN 0.524 nan 8.290 nan 0.000 0.498 118 A N -1.067 121.799 122.820 0.076 0.000 2.635 118 A HA 0.722 5.039 4.320 -0.006 0.000 0.279 118 A C 1.617 179.314 177.584 0.189 0.000 1.122 118 A CA 1.342 53.449 52.037 0.117 0.000 0.965 118 A CB 0.307 19.334 19.000 0.045 0.000 1.221 118 A HN 0.771 nan 8.150 nan 0.000 0.566 119 S N -1.139 114.673 115.700 0.187 0.000 2.505 119 S HA 0.364 4.830 4.470 -0.006 0.000 0.216 119 S C 1.538 176.321 174.600 0.306 0.000 1.018 119 S CA 0.682 59.019 58.200 0.228 0.000 0.911 119 S CB 0.438 63.703 63.200 0.108 0.000 0.818 119 S HN 1.661 nan 8.310 nan 0.000 0.497 120 G N 1.967 110.877 108.800 0.183 0.000 2.168 120 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.263 120 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.263 120 G C 0.250 175.148 174.900 -0.003 0.000 0.977 120 G CA 0.070 45.174 45.100 0.007 0.000 0.659 120 G HN 0.903 nan 8.290 nan 0.000 0.533 121 A N 0.341 123.175 122.820 0.023 0.000 2.531 121 A HA 0.598 4.915 4.320 -0.006 0.000 0.236 121 A C 1.164 178.708 177.584 -0.067 0.000 1.062 121 A CA 1.056 53.086 52.037 -0.012 0.000 0.760 121 A CB 0.199 19.197 19.000 -0.004 0.000 0.995 121 A HN 2.039 nan 8.150 nan 0.000 0.501 122 S N 1.527 117.151 115.700 -0.128 0.000 2.614 122 S HA 0.204 4.670 4.470 -0.006 0.000 0.265 122 S C 0.716 175.208 174.600 -0.180 0.000 1.303 122 S CA 0.089 58.140 58.200 -0.249 0.000 1.000 122 S CB 0.727 63.570 63.200 -0.595 0.000 0.935 122 S HN 0.713 nan 8.310 nan 0.000 0.551 123 E N 1.316 121.410 120.200 -0.177 0.000 2.118 123 E HA -0.099 4.248 4.350 -0.006 0.000 0.195 123 E C 2.122 178.666 176.600 -0.094 0.000 0.992 123 E CA 1.141 57.477 56.400 -0.107 0.000 0.804 123 E CB -0.732 28.919 29.700 -0.083 0.000 0.741 123 E HN 0.898 nan 8.360 nan 0.000 0.458 124 G N 0.566 109.290 108.800 -0.126 0.000 2.418 124 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.217 124 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.217 124 G C 1.632 176.500 174.900 -0.053 0.000 1.158 124 G CA 1.236 46.292 45.100 -0.073 0.000 0.771 124 G HN 0.182 nan 8.290 nan 0.000 0.545 125 T N 1.290 115.802 114.554 -0.071 0.000 2.746 125 T HA -0.025 4.321 4.350 -0.006 0.000 0.267 125 T C 2.382 177.063 174.700 -0.033 0.000 1.039 125 T CA 0.869 62.945 62.100 -0.040 0.000 1.142 125 T CB -0.135 68.709 68.868 -0.041 0.000 0.866 125 T HN 0.243 nan 8.240 nan 0.000 0.444 126 I N 1.293 121.837 120.570 -0.042 0.000 2.226 126 I HA -0.160 4.006 4.170 -0.006 0.000 0.245 126 I C 2.886 178.987 176.117 -0.027 0.000 1.100 126 I CA 1.022 62.303 61.300 -0.033 0.000 1.374 126 I CB -0.439 37.539 38.000 -0.036 0.000 1.057 126 I HN 0.188 nan 8.210 nan 0.000 0.413 127 A N 0.734 123.537 122.820 -0.028 0.000 1.972 127 A HA -0.166 4.150 4.320 -0.006 0.000 0.219 127 A C 2.323 179.900 177.584 -0.012 0.000 1.169 127 A CA 1.215 53.240 52.037 -0.020 0.000 0.635 127 A CB -0.371 18.617 19.000 -0.020 0.000 0.810 127 A HN 0.248 nan 8.150 nan 0.000 0.446 128 R N -0.197 120.299 120.500 -0.008 0.000 2.092 128 R HA -0.008 4.328 4.340 -0.006 0.000 0.231 128 R C 1.996 178.300 176.300 0.006 0.000 1.119 128 R CA 1.131 57.235 56.100 0.006 0.000 0.970 128 R CB -0.947 29.362 30.300 0.014 0.000 0.864 128 R HN 0.595 nan 8.270 nan 0.000 0.440 129 L N 0.114 121.333 121.223 -0.007 0.000 2.072 129 L HA -0.067 4.269 4.340 -0.006 0.000 0.205 129 L C 2.465 179.322 176.870 -0.022 0.000 1.079 129 L CA 1.042 55.873 54.840 -0.015 0.000 0.752 129 L CB -0.448 41.597 42.059 -0.024 0.000 0.906 129 L HN 0.052 nan 8.230 nan 0.000 0.436 130 I N -0.011 120.546 120.570 -0.021 0.000 2.226 130 I HA -0.277 3.889 4.170 -0.006 0.000 0.245 130 I C 2.113 178.218 176.117 -0.019 0.000 1.100 130 I CA 1.166 62.451 61.300 -0.024 0.000 1.374 130 I CB -0.417 37.570 38.000 -0.021 0.000 1.057 130 I HN 0.254 nan 8.210 nan 0.000 0.413 131 D N 0.835 121.228 120.400 -0.012 0.000 2.123 131 D HA -0.179 4.457 4.640 -0.006 0.000 0.196 131 D C 2.136 178.432 176.300 -0.007 0.000 0.992 131 D CA 0.974 54.969 54.000 -0.009 0.000 0.833 131 D CB -0.335 40.461 40.800 -0.007 0.000 0.954 131 D HN 0.160 nan 8.370 nan 0.000 0.455 132 L N 0.808 122.032 121.223 0.001 0.000 1.994 132 L HA -0.139 4.197 4.340 -0.006 0.000 0.208 132 L C 2.180 179.035 176.870 -0.026 0.000 1.071 132 L CA 1.401 56.248 54.840 0.012 0.000 0.745 132 L CB -0.915 41.165 42.059 0.036 0.000 0.892 132 L HN 0.095 nan 8.230 nan 0.000 0.431 133 L N 0.153 121.347 121.223 -0.048 0.000 2.131 133 L HA -0.221 4.115 4.340 -0.006 0.000 0.210 133 L C 1.914 178.756 176.870 -0.046 0.000 1.092 133 L CA 1.028 55.821 54.840 -0.078 0.000 0.759 133 L CB -0.610 41.402 42.059 -0.078 0.000 0.903 133 L HN 0.377 nan 8.230 nan 0.000 0.435 134 N N -0.356 118.331 118.700 -0.021 0.000 2.461 134 N HA -0.019 4.718 4.740 -0.006 0.000 0.188 134 N C 0.876 176.396 175.510 0.018 0.000 1.134 134 N CA 0.382 53.431 53.050 -0.002 0.000 0.878 134 N CB 0.116 38.600 38.487 -0.004 0.000 0.972 134 N HN 0.358 nan 8.380 nan 0.000 0.456 135 S N -0.095 115.618 115.700 0.021 0.000 2.694 135 S HA 0.301 4.767 4.470 -0.006 0.000 0.278 135 S C 0.723 175.397 174.600 0.124 0.000 1.152 135 S CA -0.469 57.758 58.200 0.045 0.000 1.010 135 S CB 1.493 64.704 63.200 0.017 0.000 1.104 135 S HN -0.077 nan 8.310 nan 0.000 0.547 136 E N 0.058 120.358 120.200 0.166 0.000 2.465 136 E HA 0.368 4.715 4.350 -0.006 0.000 0.195 136 E C -0.268 176.637 176.600 0.508 0.000 1.028 136 E CA -0.008 56.584 56.400 0.319 0.000 0.899 136 E CB -0.092 29.698 29.700 0.151 0.000 1.032 136 E HN 0.499 nan 8.360 nan 0.000 0.468 137 L N -0.165 121.271 121.223 0.356 0.000 2.304 137 L HA 0.778 5.115 4.340 -0.006 0.000 0.268 137 L C -0.095 176.889 176.870 0.190 0.000 1.010 137 L CA -1.111 53.966 54.840 0.395 0.000 0.813 137 L CB 1.682 43.855 42.059 0.189 0.000 1.315 137 L HN -0.166 nan 8.230 nan 0.000 0.445 138 A N 0.903 123.849 122.820 0.210 0.000 2.539 138 A HA 0.852 5.168 4.320 -0.006 0.000 0.296 138 A C -2.832 174.814 177.584 0.103 0.000 1.073 138 A CA -1.437 50.574 52.037 -0.043 0.000 0.700 138 A CB 1.934 20.709 19.000 -0.374 0.000 1.296 138 A HN 0.371 nan 8.150 nan 0.000 0.405 139 P HA 0.400 nan 4.420 nan 0.000 0.278 139 P C -0.408 176.795 177.300 -0.162 0.000 1.238 139 P CA 0.047 62.989 63.100 -0.263 0.000 0.794 139 P CB 1.380 32.926 31.700 -0.256 0.000 0.955 140 A N 3.476 126.180 122.820 -0.193 0.000 2.316 140 A HA 0.461 4.777 4.320 -0.006 0.000 0.311 140 A C -0.180 177.331 177.584 -0.122 0.000 1.339 140 A CA -0.397 51.581 52.037 -0.098 0.000 0.960 140 A CB -0.339 18.623 19.000 -0.063 0.000 1.152 140 A HN 0.362 nan 8.150 nan 0.000 0.547 141 V N 5.308 125.154 119.914 -0.112 0.000 2.540 141 V HA 0.351 4.468 4.120 -0.006 0.000 0.302 141 V C -2.390 173.597 176.094 -0.178 0.000 1.035 141 V CA -1.868 60.344 62.300 -0.147 0.000 0.873 141 V CB 2.000 33.768 31.823 -0.092 0.000 0.992 141 V HN 0.703 nan 8.190 nan 0.000 0.428 142 P HA 0.085 nan 4.420 nan 0.000 0.268 142 P C 0.711 177.925 177.300 -0.144 0.000 1.205 142 P CA 0.106 63.060 63.100 -0.243 0.000 0.771 142 P CB 0.633 32.105 31.700 -0.380 0.000 0.858 143 S N 2.527 118.176 115.700 -0.085 0.000 2.470 143 S HA 0.057 4.523 4.470 -0.006 0.000 0.225 143 S C 0.679 175.259 174.600 -0.032 0.000 1.006 143 S CA 0.299 58.472 58.200 -0.046 0.000 0.934 143 S CB -0.077 63.109 63.200 -0.024 0.000 0.778 143 S HN 0.327 nan 8.310 nan 0.000 0.517 144 R N -0.218 120.260 120.500 -0.037 0.000 2.720 144 R HA 0.648 4.985 4.340 -0.006 0.000 0.272 144 R C 0.810 177.104 176.300 -0.011 0.000 0.991 144 R CA -0.078 56.012 56.100 -0.017 0.000 1.010 144 R CB 1.489 31.782 30.300 -0.012 0.000 1.141 144 R HN 0.314 nan 8.270 nan 0.000 0.494 145 G N 0.086 108.890 108.800 0.006 0.000 3.006 145 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.195 145 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.195 145 G C 0.105 175.019 174.900 0.023 0.000 1.034 145 G CA -0.078 45.035 45.100 0.021 0.000 0.807 145 G HN 0.605 nan 8.290 nan 0.000 0.469 146 T N 0.913 115.477 114.554 0.017 0.000 2.922 146 T HA 0.515 4.861 4.350 -0.006 0.000 0.285 146 T C 1.507 176.221 174.700 0.022 0.000 1.005 146 T CA 0.525 62.633 62.100 0.014 0.000 1.061 146 T CB 1.589 70.461 68.868 0.006 0.000 1.007 146 T HN 1.162 nan 8.240 nan 0.000 0.502 147 V N 1.283 121.211 119.914 0.025 0.000 3.542 147 V HA 0.583 4.699 4.120 -0.006 0.000 0.296 147 V C 1.176 177.296 176.094 0.044 0.000 1.364 147 V CA 0.171 62.493 62.300 0.037 0.000 1.118 147 V CB -1.363 30.484 31.823 0.040 0.000 0.972 147 V HN 1.350 nan 8.190 nan 0.000 0.430 153 L N -0.281 120.897 121.223 -0.074 0.000 2.017 153 L HA -0.138 4.199 4.340 -0.006 0.000 0.208 153 L C 2.382 179.184 176.870 -0.112 0.000 1.073 153 L CA 1.447 56.217 54.840 -0.117 0.000 0.745 153 L CB -0.642 41.321 42.059 -0.161 0.000 0.894 153 L HN 0.110 nan 8.230 nan 0.000 0.432 154 T N 0.569 115.084 114.554 -0.065 0.000 2.622 154 T HA -0.114 4.232 4.350 -0.006 0.000 0.266 154 T C -0.404 174.343 174.700 0.078 0.000 1.047 154 T CA 1.867 63.961 62.100 -0.010 0.000 1.159 154 T CB -1.309 67.582 68.868 0.039 0.000 0.863 154 T HN 0.318 nan 8.240 nan 0.000 0.422 155 P HA -0.002 nan 4.420 nan 0.000 0.217 155 P C 1.624 178.939 177.300 0.025 0.000 1.150 155 P CA 1.035 64.167 63.100 0.053 0.000 0.832 155 P CB -0.243 31.456 31.700 -0.002 0.000 0.787 156 L N -0.674 120.534 121.223 -0.024 0.000 2.141 156 L HA -0.092 4.244 4.340 -0.006 0.000 0.209 156 L C 2.802 179.624 176.870 -0.080 0.000 1.094 156 L CA 1.324 56.133 54.840 -0.052 0.000 0.763 156 L CB -1.029 40.991 42.059 -0.064 0.000 0.908 156 L HN -0.050 nan 8.230 nan 0.000 0.437 157 A N -0.917 121.831 122.820 -0.120 0.000 1.898 157 A HA -0.223 4.093 4.320 -0.006 0.000 0.216 157 A C 2.123 179.592 177.584 -0.193 0.000 1.181 157 A CA 1.288 53.202 52.037 -0.205 0.000 0.620 157 A CB -0.726 18.087 19.000 -0.311 0.000 0.819 157 A HN 0.404 nan 8.150 nan 0.000 0.442 158 H N -1.234 117.770 119.070 -0.110 0.000 2.423 158 H HA -0.087 4.465 4.556 -0.007 0.000 0.297 158 H C 2.077 177.330 175.328 -0.124 0.000 1.075 158 H CA 1.704 57.690 56.048 -0.103 0.000 1.342 158 H CB -0.228 29.478 29.762 -0.093 0.000 1.395 158 H HN 0.586 nan 8.280 nan 0.000 0.530 159 M N 0.581 120.174 119.600 -0.010 0.000 2.117 159 M HA -0.148 4.328 4.480 -0.006 0.000 0.262 159 M C 2.083 178.331 176.300 -0.086 0.000 1.065 159 M CA 1.260 56.516 55.300 -0.073 0.000 1.114 159 M CB -0.088 32.473 32.600 -0.064 0.000 1.361 159 M HN -0.002 nan 8.290 nan 0.000 0.408 160 V N 1.322 121.188 119.914 -0.079 0.000 2.295 160 V HA -0.305 3.811 4.120 -0.006 0.000 0.246 160 V C 2.448 178.504 176.094 -0.064 0.000 1.049 160 V CA 1.797 64.055 62.300 -0.072 0.000 1.024 160 V CB -0.788 30.980 31.823 -0.092 0.000 0.648 160 V HN 0.542 nan 8.190 nan 0.000 0.447 161 L N -0.792 120.385 121.223 -0.077 0.000 2.042 161 L HA -0.239 4.098 4.340 -0.006 0.000 0.210 161 L C 2.666 179.499 176.870 -0.061 0.000 1.076 161 L CA 1.711 56.519 54.840 -0.053 0.000 0.749 161 L CB -0.810 41.215 42.059 -0.056 0.000 0.893 161 L HN 0.412 nan 8.230 nan 0.000 0.432 162 C N -0.126 119.090 119.300 -0.139 0.000 2.432 162 C HA -0.149 4.307 4.460 -0.006 0.000 0.277 162 C C 2.694 177.587 174.990 -0.162 0.000 1.249 162 C CA 0.397 59.223 59.018 -0.320 0.000 1.725 162 C CB -0.863 26.519 27.740 -0.596 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.380 121.573 121.223 -0.050 0.000 2.353 163 L HA -0.180 4.156 4.340 -0.006 0.000 0.220 163 L C 2.396 179.340 176.870 0.124 0.000 1.133 163 L CA 1.307 56.218 54.840 0.119 0.000 0.798 163 L CB -0.647 41.446 42.059 0.057 0.000 0.922 163 L HN 0.539 nan 8.230 nan 0.000 0.445 164 Q N -0.470 119.372 119.800 0.070 0.000 2.360 164 Q HA 0.118 4.454 4.340 -0.006 0.000 0.202 164 Q C 1.393 177.449 176.000 0.092 0.000 0.915 164 Q CA 0.501 56.344 55.803 0.065 0.000 0.943 164 Q CB 0.623 29.381 28.738 0.033 0.000 1.064 164 Q HN 0.555 nan 8.270 nan 0.000 0.511 165 G N 1.783 110.672 108.800 0.147 0.000 2.159 165 G HA2 -0.316 3.640 3.960 -0.006 0.000 0.256 165 G HA3 -0.316 3.640 3.960 -0.006 0.000 0.256 165 G C 0.564 175.533 174.900 0.115 0.000 0.977 165 G CA 0.086 45.293 45.100 0.179 0.000 0.652 165 G HN 0.325 nan 8.290 nan 0.000 0.531 166 R N 0.253 120.793 120.500 0.067 0.000 2.586 166 R HA 0.483 4.820 4.340 -0.006 0.000 0.306 166 R C 0.965 177.274 176.300 0.015 0.000 1.079 166 R CA 0.508 56.633 56.100 0.042 0.000 1.083 166 R CB 0.686 31.009 30.300 0.038 0.000 1.306 166 R HN 0.533 nan 8.270 nan 0.000 0.567 167 G N -0.344 108.452 108.800 -0.007 0.000 2.698 167 G HA2 0.221 4.177 3.960 -0.006 0.000 0.293 167 G HA3 0.221 4.177 3.960 -0.006 0.000 0.293 167 G C -1.520 173.319 174.900 -0.102 0.000 1.437 167 G CA -0.697 44.367 45.100 -0.060 0.000 0.852 167 G HN -0.105 nan 8.290 nan 0.000 0.499 168 D N -0.464 119.885 120.400 -0.085 0.000 2.360 168 D HA 0.582 5.219 4.640 -0.006 0.000 0.242 168 D C -0.447 175.742 176.300 -0.185 0.000 1.184 168 D CA 0.523 54.507 54.000 -0.026 0.000 0.930 168 D CB 0.911 41.719 40.800 0.013 0.000 1.161 168 D HN 0.110 nan 8.370 nan 0.000 0.447 169 F N -0.590 119.384 119.950 0.040 0.000 2.618 169 F HA 0.539 5.063 4.527 -0.006 0.000 0.332 169 F C -0.151 175.695 175.800 0.076 0.000 1.061 169 F CA -0.901 57.131 58.000 0.053 0.000 0.974 169 F CB 1.205 40.237 39.000 0.054 0.000 1.310 169 F HN -0.071 nan 8.300 nan 0.000 0.491 170 L N 1.414 122.841 121.223 0.339 0.000 2.381 170 L HA 0.437 4.774 4.340 -0.006 0.000 0.268 170 L C -1.044 176.053 176.870 0.378 0.000 0.997 170 L CA -1.052 53.964 54.840 0.294 0.000 0.818 170 L CB 1.960 44.193 42.059 0.289 0.000 1.310 170 L HN 0.593 nan 8.230 nan 0.000 0.416 171 D N 1.060 121.582 120.400 0.204 0.000 2.437 171 D HA 0.232 4.868 4.640 -0.006 0.000 0.259 171 D C 0.780 176.923 176.300 -0.261 0.000 1.118 171 D CA -0.647 53.396 54.000 0.071 0.000 1.017 171 D CB 0.934 41.730 40.800 -0.006 0.000 1.120 171 D HN 0.345 nan 8.370 nan 0.000 0.541 172 R N -0.528 119.557 120.500 -0.690 0.000 2.139 172 R HA -0.126 4.211 4.340 -0.006 0.000 0.243 172 R C 0.929 176.889 176.300 -0.567 0.000 1.145 172 R CA 1.642 57.006 56.100 -1.226 0.000 0.976 172 R CB -0.169 29.543 30.300 -0.979 0.000 0.866 172 R HN 0.533 nan 8.270 nan 0.000 0.449 173 D N -1.288 118.936 120.400 -0.294 0.000 2.347 173 D HA 0.009 4.646 4.640 -0.006 0.000 0.215 173 D C 1.221 177.481 176.300 -0.066 0.000 0.976 173 D CA 1.193 55.105 54.000 -0.148 0.000 0.884 173 D CB 0.508 41.248 40.800 -0.100 0.000 0.915 173 D HN 0.488 nan 8.370 nan 0.000 0.526 174 G N 1.364 110.144 108.800 -0.033 0.000 2.175 174 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.244 174 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.244 174 G C 0.594 175.521 174.900 0.045 0.000 0.982 174 G CA 0.453 45.581 45.100 0.046 0.000 0.641 174 G HN 0.425 nan 8.290 nan 0.000 0.527 175 T N -0.473 114.097 114.554 0.026 0.000 2.851 175 T HA 0.614 4.960 4.350 -0.006 0.000 0.298 175 T C 0.542 175.278 174.700 0.060 0.000 0.977 175 T CA -0.388 61.731 62.100 0.031 0.000 1.126 175 T CB 1.501 70.377 68.868 0.013 0.000 0.916 175 T HN 0.432 nan 8.240 nan 0.000 0.529 176 R N 2.226 122.761 120.500 0.058 0.000 2.441 176 R HA 0.512 4.849 4.340 -0.006 0.000 0.284 176 R C -0.344 176.006 176.300 0.084 0.000 1.070 176 R CA -0.505 55.642 56.100 0.078 0.000 1.047 176 R CB 0.646 30.980 30.300 0.057 0.000 1.016 176 R HN 0.628 nan 8.270 nan 0.000 0.477 177 L N 2.291 123.589 121.223 0.125 0.000 2.370 177 L HA 0.299 4.635 4.340 -0.006 0.000 0.266 177 L C 0.255 177.220 176.870 0.158 0.000 1.002 177 L CA -1.098 53.817 54.840 0.125 0.000 0.818 177 L CB 2.010 44.149 42.059 0.134 0.000 1.325 177 L HN 0.694 nan 8.230 nan 0.000 0.418 178 D N 1.265 121.739 120.400 0.122 0.000 2.371 178 D HA 0.024 4.660 4.640 -0.006 0.000 0.242 178 D C 1.039 177.463 176.300 0.207 0.000 1.218 178 D CA -0.034 54.042 54.000 0.126 0.000 0.945 178 D CB 1.454 42.303 40.800 0.081 0.000 1.137 178 D HN 0.613 nan 8.370 nan 0.000 0.464 179 G N 0.215 109.135 108.800 0.200 0.000 2.491 179 G HA2 -0.284 3.672 3.960 -0.006 0.000 0.218 179 G HA3 -0.284 3.672 3.960 -0.006 0.000 0.218 179 G C 1.580 176.614 174.900 0.224 0.000 1.180 179 G CA 1.921 47.196 45.100 0.292 0.000 0.774 179 G HN 0.680 nan 8.290 nan 0.000 0.562 180 A N 0.775 123.667 122.820 0.120 0.000 1.883 180 A HA -0.082 4.234 4.320 -0.006 0.000 0.217 180 A C 2.217 179.817 177.584 0.028 0.000 1.186 180 A CA 2.363 54.438 52.037 0.064 0.000 0.624 180 A CB -0.487 18.541 19.000 0.046 0.000 0.822 180 A HN 0.442 nan 8.150 nan 0.000 0.444 181 E N 0.057 120.278 120.200 0.036 0.000 2.106 181 E HA -0.022 4.324 4.350 -0.006 0.000 0.192 181 E C 1.936 178.493 176.600 -0.070 0.000 0.984 181 E CA 1.533 57.932 56.400 -0.001 0.000 0.806 181 E CB -0.807 28.907 29.700 0.024 0.000 0.750 181 E HN 0.395 nan 8.360 nan 0.000 0.458 182 G N 0.759 109.502 108.800 -0.094 0.000 2.421 182 G HA2 -0.219 3.737 3.960 -0.006 0.000 0.216 182 G HA3 -0.219 3.737 3.960 -0.006 0.000 0.216 182 G C 1.585 176.101 174.900 -0.640 0.000 1.171 182 G CA 0.930 45.722 45.100 -0.513 0.000 0.775 182 G HN 0.314 nan 8.290 nan 0.000 0.543 183 L N -0.350 120.645 121.223 -0.380 0.000 2.093 183 L HA 0.005 4.341 4.340 -0.006 0.000 0.208 183 L C 2.927 179.705 176.870 -0.153 0.000 1.085 183 L CA 0.970 55.670 54.840 -0.233 0.000 0.755 183 L CB -0.368 41.654 42.059 -0.062 0.000 0.904 183 L HN 0.188 nan 8.230 nan 0.000 0.435 184 R N 0.548 120.980 120.500 -0.114 0.000 2.055 184 R HA -0.158 4.178 4.340 -0.006 0.000 0.228 184 R C 2.517 178.767 176.300 -0.083 0.000 1.143 184 R CA 1.419 57.475 56.100 -0.073 0.000 0.945 184 R CB -0.167 30.106 30.300 -0.045 0.000 0.841 184 R HN 0.150 nan 8.270 nan 0.000 0.429 185 R N -0.450 119.993 120.500 -0.096 0.000 2.105 185 R HA -0.098 4.239 4.340 -0.006 0.000 0.239 185 R C 1.859 178.104 176.300 -0.092 0.000 1.135 185 R CA 1.794 57.846 56.100 -0.080 0.000 0.967 185 R CB -0.435 29.822 30.300 -0.072 0.000 0.861 185 R HN 0.405 nan 8.270 nan 0.000 0.442 186 G N -0.502 108.207 108.800 -0.151 0.000 2.985 186 G HA2 -0.063 3.893 3.960 -0.006 0.000 0.209 186 G HA3 -0.063 3.893 3.960 -0.006 0.000 0.209 186 G C -0.099 174.744 174.900 -0.096 0.000 1.165 186 G CA -0.313 44.706 45.100 -0.134 0.000 0.776 186 G HN 0.234 nan 8.290 nan 0.000 0.541 187 R N -1.045 119.403 120.500 -0.087 0.000 3.422 187 R HA -0.137 4.199 4.340 -0.006 0.000 0.267 187 R C -0.308 175.959 176.300 -0.055 0.000 1.074 187 R CA 0.502 56.568 56.100 -0.057 0.000 0.718 187 R CB -2.658 27.619 30.300 -0.038 0.000 1.157 187 R HN 0.408 nan 8.270 nan 0.000 0.440 188 L N 0.637 121.813 121.223 -0.078 0.000 2.352 188 L HA 0.365 4.702 4.340 -0.006 0.000 0.269 188 L C 0.943 177.796 176.870 -0.029 0.000 1.034 188 L CA -0.832 53.974 54.840 -0.056 0.000 0.806 188 L CB 1.133 43.141 42.059 -0.085 0.000 1.244 188 L HN -0.088 nan 8.230 nan 0.000 0.447 189 Q N 2.229 122.026 119.800 -0.006 0.000 2.245 189 Q HA 0.391 4.728 4.340 -0.006 0.000 0.256 189 Q C -2.344 173.672 176.000 0.027 0.000 0.942 189 Q CA -1.943 53.865 55.803 0.008 0.000 0.896 189 Q CB 1.554 30.297 28.738 0.008 0.000 1.272 189 Q HN 0.303 nan 8.270 nan 0.000 0.442 190 P HA 0.008 nan 4.420 nan 0.000 0.271 190 P C -0.241 177.085 177.300 0.044 0.000 1.220 190 P CA -0.508 62.622 63.100 0.050 0.000 0.768 190 P CB 0.546 32.273 31.700 0.045 0.000 0.848 191 L N 3.436 124.688 121.223 0.049 0.000 2.513 191 L HA 0.148 4.484 4.340 -0.006 0.000 0.272 191 L C -0.085 176.804 176.870 0.032 0.000 1.187 191 L CA 0.649 55.510 54.840 0.035 0.000 0.895 191 L CB -0.617 41.459 42.059 0.029 0.000 1.147 191 L HN 0.310 nan 8.230 nan 0.000 0.483 192 D N 4.488 124.910 120.400 0.037 0.000 2.425 192 D HA 0.260 4.896 4.640 -0.006 0.000 0.240 192 D C -0.125 176.213 176.300 0.064 0.000 1.080 192 D CA -0.215 53.814 54.000 0.047 0.000 0.836 192 D CB 0.834 41.669 40.800 0.058 0.000 1.125 192 D HN 0.618 nan 8.370 nan 0.000 0.525 193 L N 3.213 124.464 121.223 0.047 0.000 2.848 193 L HA 0.125 4.461 4.340 -0.006 0.000 0.240 193 L C 1.825 178.733 176.870 0.063 0.000 1.232 193 L CA -0.154 54.719 54.840 0.055 0.000 1.031 193 L CB -0.210 41.859 42.059 0.016 0.000 1.338 193 L HN 0.410 nan 8.230 nan 0.000 0.509 194 S N -2.040 113.699 115.700 0.065 0.000 2.419 194 S HA -0.218 4.248 4.470 -0.006 0.000 0.233 194 S C 1.471 176.035 174.600 -0.060 0.000 1.016 194 S CA 0.983 59.174 58.200 -0.015 0.000 0.974 194 S CB -0.467 62.691 63.200 -0.070 0.000 0.786 194 S HN 0.529 nan 8.310 nan 0.000 0.492 195 H N 1.749 120.814 119.070 -0.008 0.000 2.556 195 H HA 0.329 4.881 4.556 -0.006 0.000 0.268 195 H C 0.530 175.852 175.328 -0.010 0.000 0.996 195 H CA 0.434 56.474 56.048 -0.013 0.000 1.157 195 H CB -0.232 29.520 29.762 -0.016 0.000 1.355 195 H HN 0.380 nan 8.280 nan 0.000 0.597 196 R N 0.844 121.396 120.500 0.087 0.000 3.531 196 R HA -0.137 4.200 4.340 -0.006 0.000 0.280 196 R C -0.810 175.538 176.300 0.080 0.000 1.130 196 R CA 0.854 56.992 56.100 0.064 0.000 0.757 196 R CB -1.881 28.445 30.300 0.044 0.000 1.218 196 R HN 0.537 nan 8.270 nan 0.000 0.454 197 D N -0.954 119.497 120.400 0.084 0.000 2.615 197 D HA 0.255 4.891 4.640 -0.006 0.000 0.236 197 D C 1.185 177.521 176.300 0.061 0.000 1.233 197 D CA 0.277 54.323 54.000 0.076 0.000 0.829 197 D CB 0.411 41.242 40.800 0.052 0.000 1.024 197 D HN 0.288 nan 8.370 nan 0.000 0.490 198 A N 0.589 123.441 122.820 0.053 0.000 1.933 198 A HA -0.087 4.229 4.320 -0.006 0.000 0.218 198 A C 2.186 179.780 177.584 0.017 0.000 1.175 198 A CA 0.707 52.753 52.037 0.015 0.000 0.628 198 A CB -0.611 18.385 19.000 -0.007 0.000 0.814 198 A HN 0.370 nan 8.150 nan 0.000 0.444 199 L N -0.900 120.365 121.223 0.070 0.000 2.265 199 L HA -0.169 4.168 4.340 -0.006 0.000 0.215 199 L C 2.835 179.748 176.870 0.072 0.000 1.117 199 L CA 0.746 55.638 54.840 0.086 0.000 0.782 199 L CB -0.442 41.718 42.059 0.169 0.000 0.914 199 L HN 0.451 nan 8.230 nan 0.000 0.441 200 A N -0.395 122.470 122.820 0.074 0.000 2.119 200 A HA -0.003 4.314 4.320 -0.006 0.000 0.217 200 A C 2.155 179.752 177.584 0.021 0.000 1.153 200 A CA 0.937 53.010 52.037 0.060 0.000 0.692 200 A CB -0.163 18.876 19.000 0.065 0.000 0.799 200 A HN 0.395 nan 8.150 nan 0.000 0.458 201 L N -1.126 120.097 121.223 0.001 0.000 2.388 201 L HA 0.113 4.449 4.340 -0.006 0.000 0.209 201 L C 0.089 176.934 176.870 -0.042 0.000 1.061 201 L CA 0.251 55.077 54.840 -0.023 0.000 0.834 201 L CB 0.235 42.275 42.059 -0.033 0.000 1.029 201 L HN 0.048 nan 8.230 nan 0.000 0.473 202 V N 2.093 121.972 119.914 -0.058 0.000 2.258 202 V HA 0.362 4.479 4.120 -0.006 0.000 0.258 202 V C -0.469 175.590 176.094 -0.057 0.000 1.121 202 V CA -0.192 62.053 62.300 -0.092 0.000 0.942 202 V CB -0.189 31.533 31.823 -0.168 0.000 1.170 202 V HN 0.337 nan 8.190 nan 0.000 0.487 203 N N 2.145 120.826 118.700 -0.033 0.000 3.545 203 N HA 0.490 5.226 4.740 -0.006 0.000 0.227 203 N C -0.100 175.424 175.510 0.022 0.000 1.380 203 N CA 0.595 53.648 53.050 0.004 0.000 0.892 203 N CB 2.241 40.749 38.487 0.036 0.000 1.441 203 N HN 0.782 nan 8.380 nan 0.000 0.497 204 G N 0.050 108.895 108.800 0.075 0.000 2.698 204 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.233 204 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.233 204 G C 0.195 175.133 174.900 0.063 0.000 1.352 204 G CA 0.461 45.610 45.100 0.082 0.000 0.879 204 G HN 1.215 nan 8.290 nan 0.000 0.567 205 T N -3.019 111.560 114.554 0.041 0.000 3.269 205 T HA 0.572 4.918 4.350 -0.006 0.000 0.269 205 T C 1.799 176.501 174.700 0.003 0.000 0.993 205 T CA 0.952 63.069 62.100 0.028 0.000 0.909 205 T CB 0.469 69.352 68.868 0.025 0.000 1.115 205 T HN 0.816 nan 8.240 nan 0.000 0.543 206 S N 1.668 117.364 115.700 -0.005 0.000 2.370 206 S HA -0.080 4.386 4.470 -0.006 0.000 0.226 206 S C 2.470 177.058 174.600 -0.020 0.000 1.033 206 S CA 1.322 59.511 58.200 -0.019 0.000 1.011 206 S CB -0.595 62.589 63.200 -0.026 0.000 0.852 206 S HN 0.839 nan 8.310 nan 0.000 0.457 207 A N 2.718 125.530 122.820 -0.014 0.000 1.841 207 A HA -0.108 4.208 4.320 -0.006 0.000 0.214 207 A C 2.284 179.867 177.584 -0.002 0.000 1.195 207 A CA 1.840 53.869 52.037 -0.012 0.000 0.611 207 A CB -0.850 18.144 19.000 -0.010 0.000 0.835 207 A HN 0.657 nan 8.150 nan 0.000 0.443 208 M N -1.427 118.177 119.600 0.006 0.000 2.213 208 M HA -0.099 4.377 4.480 -0.006 0.000 0.263 208 M C 1.783 178.089 176.300 0.009 0.000 1.062 208 M CA 2.311 57.620 55.300 0.015 0.000 1.105 208 M CB -1.320 31.291 32.600 0.019 0.000 1.385 208 M HN 0.183 nan 8.290 nan 0.000 0.417 209 T N 1.130 115.680 114.554 -0.006 0.000 2.777 209 T HA 0.017 4.363 4.350 -0.006 0.000 0.266 209 T C 1.979 176.675 174.700 -0.006 0.000 1.040 209 T CA 1.605 63.695 62.100 -0.018 0.000 1.141 209 T CB -0.711 68.138 68.868 -0.032 0.000 0.868 209 T HN 0.716 nan 8.240 nan 0.000 0.444 210 G N 1.420 110.214 108.800 -0.010 0.000 2.421 210 G HA2 -0.127 3.830 3.960 -0.006 0.000 0.216 210 G HA3 -0.127 3.830 3.960 -0.006 0.000 0.216 210 G C 1.525 176.435 174.900 0.018 0.000 1.171 210 G CA 0.509 45.602 45.100 -0.012 0.000 0.775 210 G HN 0.487 nan 8.290 nan 0.000 0.543 211 I N 1.467 122.052 120.570 0.026 0.000 2.163 211 I HA -0.193 3.973 4.170 -0.006 0.000 0.243 211 I C 3.280 179.448 176.117 0.085 0.000 1.085 211 I CA 1.083 62.414 61.300 0.051 0.000 1.347 211 I CB -0.248 37.780 38.000 0.046 0.000 1.044 211 I HN 0.240 nan 8.210 nan 0.000 0.408 212 A N 1.291 124.164 122.820 0.088 0.000 1.969 212 A HA -0.162 4.155 4.320 -0.006 0.000 0.218 212 A C 2.250 179.941 177.584 0.178 0.000 1.169 212 A CA 1.738 53.866 52.037 0.151 0.000 0.635 212 A CB -0.777 18.283 19.000 0.099 0.000 0.810 212 A HN 0.523 nan 8.150 nan 0.000 0.445 213 L N -2.075 119.216 121.223 0.114 0.000 2.217 213 L HA 0.030 4.366 4.340 -0.006 0.000 0.211 213 L C 1.925 178.903 176.870 0.180 0.000 1.107 213 L CA 1.532 56.448 54.840 0.126 0.000 0.783 213 L CB -1.004 41.096 42.059 0.069 0.000 0.919 213 L HN -0.003 nan 8.230 nan 0.000 0.442 214 V N 0.797 120.817 119.914 0.176 0.000 2.548 214 V HA -0.139 3.977 4.120 -0.006 0.000 0.249 214 V C 2.419 178.633 176.094 0.199 0.000 1.055 214 V CA 1.573 64.016 62.300 0.238 0.000 1.065 214 V CB -0.942 30.988 31.823 0.179 0.000 0.681 214 V HN 0.500 nan 8.190 nan 0.000 0.462 215 N N 0.962 119.754 118.700 0.152 0.000 2.120 215 N HA -0.114 4.622 4.740 -0.006 0.000 0.188 215 N C 1.937 177.488 175.510 0.068 0.000 1.024 215 N CA 1.689 54.803 53.050 0.107 0.000 0.852 215 N CB -0.540 37.998 38.487 0.084 0.000 1.003 215 N HN 0.469 nan 8.380 nan 0.000 0.424 216 A N 0.382 123.261 122.820 0.098 0.000 1.908 216 A HA -0.218 4.098 4.320 -0.006 0.000 0.218 216 A C 2.122 179.718 177.584 0.021 0.000 1.181 216 A CA 1.896 53.968 52.037 0.059 0.000 0.627 216 A CB -0.964 18.136 19.000 0.166 0.000 0.818 216 A HN 0.451 nan 8.150 nan 0.000 0.445 217 H N -0.185 118.850 119.070 -0.058 0.000 2.321 217 H HA 0.042 4.593 4.556 -0.007 0.000 0.300 217 H C 2.232 177.473 175.328 -0.144 0.000 1.087 217 H CA 2.021 57.951 56.048 -0.196 0.000 1.319 217 H CB -0.280 29.236 29.762 -0.409 0.000 1.379 217 H HN 0.392 nan 8.280 nan 0.000 0.501 218 A N -0.334 122.501 122.820 0.025 0.000 1.902 218 A HA -0.193 4.123 4.320 -0.006 0.000 0.217 218 A C 2.729 180.296 177.584 -0.029 0.000 1.181 218 A CA 1.544 53.602 52.037 0.035 0.000 0.623 218 A CB -1.247 17.811 19.000 0.096 0.000 0.818 218 A HN 0.652 nan 8.150 nan 0.000 0.443 219 C N -1.344 117.957 119.300 0.002 0.000 2.422 219 C HA -0.034 4.423 4.460 -0.006 0.000 0.279 219 C C 2.789 177.761 174.990 -0.030 0.000 1.305 219 C CA 1.152 60.214 59.018 0.073 0.000 1.757 219 C CB -1.340 26.475 27.740 0.125 0.000 1.962 219 C HN 0.737 nan 8.230 nan 0.000 0.499 220 R N -0.120 120.266 120.500 -0.191 0.000 2.073 220 R HA -0.128 4.208 4.340 -0.006 0.000 0.234 220 R C 2.250 178.355 176.300 -0.325 0.000 1.134 220 R CA 1.557 57.469 56.100 -0.314 0.000 0.952 220 R CB -0.415 29.600 30.300 -0.475 0.000 0.850 220 R HN 0.602 nan 8.270 nan 0.000 0.433 221 H N 0.528 119.466 119.070 -0.220 0.000 2.326 221 H HA -0.080 4.473 4.556 -0.006 0.000 0.301 221 H C 2.175 177.484 175.328 -0.032 0.000 1.081 221 H CA 1.639 57.602 56.048 -0.142 0.000 1.334 221 H CB -0.213 29.466 29.762 -0.137 0.000 1.385 221 H HN 0.242 nan 8.280 nan 0.000 0.504 222 L N -0.160 121.029 121.223 -0.058 0.000 2.131 222 L HA -0.084 4.253 4.340 -0.006 0.000 0.210 222 L C 2.741 179.444 176.870 -0.279 0.000 1.092 222 L CA 1.036 55.651 54.840 -0.376 0.000 0.759 222 L CB -0.784 40.640 42.059 -1.058 0.000 0.903 222 L HN 0.298 nan 8.230 nan 0.000 0.435 223 G N -0.054 108.724 108.800 -0.037 0.000 2.422 223 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.218 223 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.218 223 G C 1.408 176.412 174.900 0.173 0.000 1.146 223 G CA 0.503 45.777 45.100 0.289 0.000 0.769 223 G HN 0.311 nan 8.290 nan 0.000 0.547 224 N N 0.066 118.755 118.700 -0.019 0.000 2.188 224 N HA -0.086 4.650 4.740 -0.006 0.000 0.184 224 N C 1.855 177.278 175.510 -0.145 0.000 1.018 224 N CA 0.849 53.827 53.050 -0.121 0.000 0.858 224 N CB -0.308 38.041 38.487 -0.229 0.000 0.989 224 N HN 0.577 nan 8.380 nan 0.000 0.426 225 W N 1.605 122.863 121.300 -0.070 0.000 2.418 225 W HA 0.077 4.733 4.660 -0.007 0.000 0.292 225 W C 2.498 178.997 176.519 -0.034 0.000 1.213 225 W CA 1.025 58.324 57.345 -0.076 0.000 1.283 225 W CB -0.380 28.990 29.460 -0.150 0.000 1.119 225 W HN 0.026 nan 8.180 nan 0.000 0.542 226 A N -0.073 122.874 122.820 0.212 0.000 1.908 226 A HA -0.194 4.123 4.320 -0.006 0.000 0.218 226 A C 1.995 179.666 177.584 0.144 0.000 1.181 226 A CA 2.252 54.426 52.037 0.228 0.000 0.627 226 A CB -1.133 18.092 19.000 0.375 0.000 0.818 226 A HN 0.091 nan 8.150 nan 0.000 0.445 227 V N -0.288 119.696 119.914 0.117 0.000 2.270 227 V HA -0.214 3.903 4.120 -0.006 0.000 0.245 227 V C 3.085 179.165 176.094 -0.023 0.000 1.043 227 V CA 1.937 64.249 62.300 0.020 0.000 1.014 227 V CB -1.292 30.551 31.823 0.033 0.000 0.645 227 V HN 0.620 nan 8.190 nan 0.000 0.447 228 A N -0.213 122.586 122.820 -0.034 0.000 1.908 228 A HA -0.181 4.136 4.320 -0.006 0.000 0.218 228 A C 2.193 179.802 177.584 0.041 0.000 1.181 228 A CA 1.943 53.952 52.037 -0.047 0.000 0.627 228 A CB -0.577 18.315 19.000 -0.180 0.000 0.818 228 A HN 0.522 nan 8.150 nan 0.000 0.445 229 L N -1.098 120.189 121.223 0.107 0.000 2.156 229 L HA -0.102 4.234 4.340 -0.006 0.000 0.208 229 L C 2.659 179.593 176.870 0.107 0.000 1.095 229 L CA 1.507 56.425 54.840 0.129 0.000 0.770 229 L CB -0.860 41.297 42.059 0.163 0.000 0.914 229 L HN 0.324 nan 8.230 nan 0.000 0.439 230 T N 0.115 114.723 114.554 0.089 0.000 2.821 230 T HA -0.113 4.233 4.350 -0.006 0.000 0.267 230 T C 2.063 176.873 174.700 0.183 0.000 1.046 230 T CA 1.272 63.435 62.100 0.106 0.000 1.139 230 T CB -0.107 68.771 68.868 0.017 0.000 0.871 230 T HN 0.427 nan 8.240 nan 0.000 0.454 231 A N 1.325 124.216 122.820 0.119 0.000 1.877 231 A HA 0.003 4.319 4.320 -0.006 0.000 0.216 231 A C 2.205 179.911 177.584 0.204 0.000 1.186 231 A CA 1.182 53.354 52.037 0.225 0.000 0.620 231 A CB -0.814 18.249 19.000 0.104 0.000 0.822 231 A HN 0.395 nan 8.150 nan 0.000 0.443 232 L N -0.740 120.560 121.223 0.128 0.000 2.141 232 L HA -0.078 4.259 4.340 -0.006 0.000 0.209 232 L C 2.193 179.121 176.870 0.097 0.000 1.094 232 L CA 1.729 56.629 54.840 0.100 0.000 0.763 232 L CB -0.635 41.473 42.059 0.081 0.000 0.908 232 L HN 0.385 nan 8.230 nan 0.000 0.437 233 L N -0.215 121.077 121.223 0.114 0.000 2.046 233 L HA -0.100 4.236 4.340 -0.006 0.000 0.208 233 L C 2.487 179.417 176.870 0.099 0.000 1.077 233 L CA 2.037 56.935 54.840 0.097 0.000 0.747 233 L CB -0.992 41.134 42.059 0.111 0.000 0.896 233 L HN 0.251 nan 8.230 nan 0.000 0.432 234 A N -0.764 122.149 122.820 0.154 0.000 1.933 234 A HA -0.215 4.101 4.320 -0.006 0.000 0.218 234 A C 2.129 179.737 177.584 0.040 0.000 1.175 234 A CA 1.820 53.911 52.037 0.089 0.000 0.628 234 A CB -0.619 18.449 19.000 0.114 0.000 0.814 234 A HN 0.642 nan 8.150 nan 0.000 0.444 235 E N -1.145 119.094 120.200 0.065 0.000 2.347 235 E HA -0.112 4.234 4.350 -0.006 0.000 0.196 235 E C 1.597 178.213 176.600 0.027 0.000 1.008 235 E CA 0.891 57.315 56.400 0.041 0.000 0.852 235 E CB -0.239 29.493 29.700 0.052 0.000 0.783 235 E HN 0.681 nan 8.360 nan 0.000 0.505 236 C N -0.002 119.315 119.300 0.030 0.000 2.634 236 C HA 0.170 4.627 4.460 -0.006 0.000 0.268 236 C C 1.683 176.678 174.990 0.007 0.000 1.322 236 C CA -0.009 59.019 59.018 0.016 0.000 1.737 236 C CB -0.161 27.588 27.740 0.015 0.000 1.976 236 C HN 0.315 nan 8.230 nan 0.000 0.547 237 L N -0.034 121.194 121.223 0.008 0.000 3.168 237 L HA 0.291 4.627 4.340 -0.006 0.000 0.277 237 L C 0.304 177.166 176.870 -0.014 0.000 1.245 237 L CA -0.086 54.753 54.840 -0.002 0.000 1.035 237 L CB -0.276 41.785 42.059 0.004 0.000 1.399 237 L HN 0.222 nan 8.230 nan 0.000 0.580 238 R N 0.712 121.203 120.500 -0.016 0.000 3.333 238 R HA -0.155 4.181 4.340 -0.006 0.000 0.256 238 R C 0.695 176.962 176.300 -0.056 0.000 1.010 238 R CA 0.456 56.539 56.100 -0.029 0.000 0.680 238 R CB -1.855 28.432 30.300 -0.022 0.000 1.102 238 R HN 0.516 nan 8.270 nan 0.000 0.440 239 G N 0.638 109.391 108.800 -0.078 0.000 2.554 239 G HA2 0.178 4.135 3.960 -0.006 0.000 0.238 239 G HA3 0.178 4.135 3.960 -0.006 0.000 0.238 239 G C 0.038 174.798 174.900 -0.233 0.000 1.259 239 G CA -0.549 44.460 45.100 -0.152 0.000 0.843 239 G HN 0.250 nan 8.290 nan 0.000 0.582 240 R N 0.590 120.919 120.500 -0.285 0.000 2.202 240 R HA 0.233 4.569 4.340 -0.006 0.000 0.334 240 R C 1.543 177.542 176.300 -0.500 0.000 1.036 240 R CA 0.158 56.086 56.100 -0.285 0.000 0.878 240 R CB 0.917 31.107 30.300 -0.183 0.000 1.067 240 R HN 0.708 nan 8.270 nan 0.000 0.457 241 T N -1.185 113.120 114.554 -0.415 0.000 3.035 241 T HA -0.138 4.208 4.350 -0.006 0.000 0.268 241 T C 1.403 175.955 174.700 -0.247 0.000 1.109 241 T CA 0.934 62.770 62.100 -0.440 0.000 1.119 241 T CB -0.038 68.719 68.868 -0.185 0.000 0.900 241 T HN 0.737 nan 8.240 nan 0.000 0.503 242 E N 1.729 121.824 120.200 -0.175 0.000 2.265 242 E HA 0.005 4.351 4.350 -0.006 0.000 0.196 242 E C 2.198 178.769 176.600 -0.048 0.000 0.996 242 E CA 0.851 57.205 56.400 -0.076 0.000 0.832 242 E CB -0.520 29.149 29.700 -0.051 0.000 0.756 242 E HN 0.615 nan 8.360 nan 0.000 0.491 243 A N 0.821 123.564 122.820 -0.128 0.000 2.066 243 A HA -0.074 4.242 4.320 -0.006 0.000 0.218 243 A C 0.987 178.706 177.584 0.224 0.000 1.157 243 A CA 0.579 52.609 52.037 -0.011 0.000 0.670 243 A CB -0.582 18.377 19.000 -0.069 0.000 0.804 243 A HN 0.479 nan 8.150 nan 0.000 0.453 244 W N -0.193 121.108 121.300 0.003 0.000 3.330 244 W HA 0.599 5.256 4.660 -0.006 0.000 0.348 244 W C 0.843 177.365 176.519 0.004 0.000 1.205 244 W CA -1.095 56.253 57.345 0.004 0.000 1.841 244 W CB -1.376 28.090 29.460 0.009 0.000 1.084 244 W HN 0.344 nan 8.180 nan 0.000 0.665 245 A N 0.878 123.809 122.820 0.184 0.000 2.531 245 A HA 0.411 4.727 4.320 -0.006 0.000 0.236 245 A C 1.685 179.323 177.584 0.089 0.000 1.062 245 A CA 0.736 52.837 52.037 0.107 0.000 0.760 245 A CB 0.557 19.593 19.000 0.059 0.000 0.995 245 A HN 0.258 nan 8.150 nan 0.000 0.501 246 A N 2.369 125.229 122.820 0.067 0.000 1.972 246 A HA 0.149 4.465 4.320 -0.006 0.000 0.219 246 A C 2.362 179.968 177.584 0.036 0.000 1.169 246 A CA 2.162 54.228 52.037 0.049 0.000 0.635 246 A CB -0.955 18.067 19.000 0.037 0.000 0.810 246 A HN 1.750 nan 8.150 nan 0.000 0.446 247 A N -0.113 122.726 122.820 0.032 0.000 1.940 247 A HA -0.105 4.211 4.320 -0.006 0.000 0.219 247 A C 2.148 179.745 177.584 0.022 0.000 1.176 247 A CA 1.580 53.630 52.037 0.021 0.000 0.631 247 A CB -0.579 18.432 19.000 0.018 0.000 0.814 247 A HN 0.495 nan 8.150 nan 0.000 0.446 248 L N -0.573 120.670 121.223 0.033 0.000 2.056 248 L HA -0.155 4.181 4.340 -0.006 0.000 0.207 248 L C 2.867 179.754 176.870 0.028 0.000 1.078 248 L CA 1.425 56.284 54.840 0.032 0.000 0.749 248 L CB -0.470 41.618 42.059 0.048 0.000 0.901 248 L HN 0.343 nan 8.230 nan 0.000 0.433 249 S N -0.227 115.494 115.700 0.035 0.000 2.370 249 S HA -0.193 4.273 4.470 -0.006 0.000 0.226 249 S C 1.506 176.112 174.600 0.010 0.000 1.033 249 S CA 1.451 59.669 58.200 0.030 0.000 1.011 249 S CB -0.336 62.885 63.200 0.036 0.000 0.852 249 S HN 0.450 nan 8.310 nan 0.000 0.457 250 D N 1.398 121.803 120.400 0.008 0.000 2.218 250 D HA -0.028 4.608 4.640 -0.006 0.000 0.204 250 D C 1.712 178.001 176.300 -0.017 0.000 0.976 250 D CA 0.683 54.681 54.000 -0.005 0.000 0.853 250 D CB -0.280 40.520 40.800 -0.000 0.000 0.939 250 D HN 0.337 nan 8.370 nan 0.000 0.481 251 L N -0.555 120.660 121.223 -0.012 0.000 2.313 251 L HA 0.023 4.360 4.340 -0.006 0.000 0.214 251 L C 1.544 178.391 176.870 -0.039 0.000 1.119 251 L CA 0.501 55.329 54.840 -0.020 0.000 0.809 251 L CB 0.181 42.235 42.059 -0.009 0.000 0.933 251 L HN -0.176 nan 8.230 nan 0.000 0.449 252 R N 0.760 121.234 120.500 -0.044 0.000 2.644 252 R HA 0.190 4.526 4.340 -0.006 0.000 0.271 252 R C -2.214 174.014 176.300 -0.119 0.000 1.687 252 R CA -1.368 54.680 56.100 -0.087 0.000 1.655 252 R CB 0.887 31.179 30.300 -0.015 0.000 1.285 252 R HN -0.146 nan 8.270 nan 0.000 0.643 253 P HA -0.078 nan 4.420 nan 0.000 0.297 253 P C -0.684 176.546 177.300 -0.117 0.000 1.544 253 P CA 0.222 63.256 63.100 -0.109 0.000 0.798 253 P CB -0.348 31.300 31.700 -0.086 0.000 1.757 254 H N 0.893 119.965 119.070 0.003 0.000 2.767 254 H HA 0.092 4.644 4.556 -0.007 0.000 0.316 254 H C -1.315 174.027 175.328 0.022 0.000 1.059 254 H CA -1.515 54.537 56.048 0.007 0.000 1.461 254 H CB 0.517 30.278 29.762 -0.000 0.000 1.475 254 H HN 0.095 nan 8.280 nan 0.000 0.531 255 P HA -0.171 nan 4.420 nan 0.000 0.216 255 P C 1.657 179.031 177.300 0.124 0.000 1.157 255 P CA 1.750 64.912 63.100 0.104 0.000 0.880 255 P CB 0.119 31.873 31.700 0.090 0.000 0.791 256 G N -0.455 108.437 108.800 0.154 0.000 2.418 256 G HA2 -0.313 3.644 3.960 -0.006 0.000 0.217 256 G HA3 -0.313 3.644 3.960 -0.006 0.000 0.217 256 G C 1.681 176.690 174.900 0.181 0.000 1.158 256 G CA 0.797 46.021 45.100 0.208 0.000 0.771 256 G HN 0.324 nan 8.290 nan 0.000 0.545 257 Q N 0.124 119.992 119.800 0.114 0.000 2.046 257 Q HA -0.093 4.243 4.340 -0.006 0.000 0.200 257 Q C 2.481 178.519 176.000 0.064 0.000 0.975 257 Q CA 1.631 57.472 55.803 0.064 0.000 0.836 257 Q CB -0.211 28.577 28.738 0.084 0.000 0.896 257 Q HN 0.515 nan 8.270 nan 0.000 0.428 258 K N 0.109 120.555 120.400 0.077 0.000 2.063 258 K HA -0.234 4.083 4.320 -0.006 0.000 0.208 258 K C 1.661 178.293 176.600 0.053 0.000 1.048 258 K CA 1.881 58.200 56.287 0.055 0.000 0.928 258 K CB -0.165 32.363 32.500 0.047 0.000 0.713 258 K HN 0.200 nan 8.250 nan 0.000 0.442 259 D N -0.140 120.307 120.400 0.079 0.000 2.117 259 D HA -0.086 4.550 4.640 -0.006 0.000 0.198 259 D C 1.694 178.054 176.300 0.099 0.000 0.982 259 D CA 1.409 55.454 54.000 0.075 0.000 0.828 259 D CB -0.033 40.814 40.800 0.079 0.000 0.967 259 D HN 0.325 nan 8.370 nan 0.000 0.464 260 A N 0.573 123.492 122.820 0.166 0.000 1.877 260 A HA 0.025 4.341 4.320 -0.006 0.000 0.216 260 A C 2.392 179.935 177.584 -0.068 0.000 1.186 260 A CA 2.331 54.441 52.037 0.122 0.000 0.620 260 A CB -1.148 17.845 19.000 -0.012 0.000 0.822 260 A HN 0.313 nan 8.150 nan 0.000 0.443 261 A N -0.206 122.570 122.820 -0.073 0.000 1.902 261 A HA 0.161 4.477 4.320 -0.006 0.000 0.217 261 A C 2.513 180.072 177.584 -0.042 0.000 1.181 261 A CA 2.150 54.127 52.037 -0.100 0.000 0.623 261 A CB -1.039 17.963 19.000 0.003 0.000 0.818 261 A HN 1.079 nan 8.150 nan 0.000 0.443 262 A N -0.233 122.585 122.820 -0.004 0.000 1.902 262 A HA -0.163 4.154 4.320 -0.006 0.000 0.217 262 A C 2.237 179.814 177.584 -0.012 0.000 1.181 262 A CA 1.632 53.673 52.037 0.008 0.000 0.623 262 A CB -0.429 18.578 19.000 0.011 0.000 0.818 262 A HN 0.547 nan 8.150 nan 0.000 0.443 263 R N -0.676 119.804 120.500 -0.032 0.000 2.092 263 R HA 0.046 4.383 4.340 -0.006 0.000 0.231 263 R C 2.014 178.265 176.300 -0.082 0.000 1.119 263 R CA 1.199 57.270 56.100 -0.048 0.000 0.970 263 R CB -0.424 29.855 30.300 -0.036 0.000 0.864 263 R HN 0.500 nan 8.270 nan 0.000 0.440 264 L N 0.188 121.308 121.223 -0.171 0.000 2.027 264 L HA -0.160 4.176 4.340 -0.006 0.000 0.206 264 L C 2.517 179.375 176.870 -0.021 0.000 1.074 264 L CA 1.423 56.078 54.840 -0.309 0.000 0.745 264 L CB -0.320 41.173 42.059 -0.942 0.000 0.898 264 L HN 0.138 nan 8.230 nan 0.000 0.433 265 R N -0.111 120.436 120.500 0.078 0.000 2.091 265 R HA -0.161 4.175 4.340 -0.006 0.000 0.238 265 R C 2.403 178.763 176.300 0.100 0.000 1.136 265 R CA 1.381 57.586 56.100 0.175 0.000 0.959 265 R CB -0.597 29.786 30.300 0.138 0.000 0.856 265 R HN 0.364 nan 8.270 nan 0.000 0.437 266 A N 1.435 124.282 122.820 0.044 0.000 1.902 266 A HA -0.159 4.157 4.320 -0.006 0.000 0.217 266 A C 2.070 179.667 177.584 0.023 0.000 1.181 266 A CA 1.155 53.205 52.037 0.022 0.000 0.623 266 A CB -0.295 18.703 19.000 -0.004 0.000 0.818 266 A HN 0.111 nan 8.150 nan 0.000 0.443 267 R N -0.229 120.282 120.500 0.018 0.000 2.105 267 R HA -0.120 4.216 4.340 -0.006 0.000 0.239 267 R C 1.940 178.276 176.300 0.059 0.000 1.135 267 R CA 1.758 57.870 56.100 0.019 0.000 0.967 267 R CB -1.341 28.960 30.300 0.001 0.000 0.861 267 R HN 0.688 nan 8.270 nan 0.000 0.442 268 V N -0.866 119.114 119.914 0.111 0.000 3.649 268 V HA 0.103 4.219 4.120 -0.006 0.000 0.275 268 V C 0.245 176.385 176.094 0.077 0.000 1.281 268 V CA -0.538 61.833 62.300 0.118 0.000 1.143 268 V CB -0.536 31.402 31.823 0.192 0.000 0.892 268 V HN -0.073 nan 8.190 nan 0.000 0.441 269 D N 1.435 121.872 120.400 0.061 0.000 2.493 269 D HA 0.397 5.033 4.640 -0.006 0.000 0.240 269 D C 1.462 177.779 176.300 0.028 0.000 1.142 269 D CA 1.982 56.005 54.000 0.039 0.000 0.872 269 D CB 0.510 41.328 40.800 0.029 0.000 1.173 269 D HN 0.575 nan 8.370 nan 0.000 0.467 270 G N 2.387 111.199 108.800 0.020 0.000 2.195 270 G HA2 -0.270 3.687 3.960 -0.006 0.000 0.246 270 G HA3 -0.270 3.687 3.960 -0.006 0.000 0.246 270 G C 0.486 175.396 174.900 0.016 0.000 0.984 270 G CA 0.344 45.453 45.100 0.015 0.000 0.633 270 G HN 0.816 nan 8.290 nan 0.000 0.525 271 S N 0.271 115.984 115.700 0.022 0.000 2.564 271 S HA 0.632 5.098 4.470 -0.006 0.000 0.278 271 S C 1.267 175.874 174.600 0.012 0.000 1.333 271 S CA 0.851 59.064 58.200 0.022 0.000 1.048 271 S CB 1.257 64.476 63.200 0.032 0.000 0.900 271 S HN 1.629 nan 8.310 nan 0.000 0.505 272 A N 5.269 128.096 122.820 0.012 0.000 2.470 272 A HA 0.339 4.655 4.320 -0.006 0.000 0.251 272 A C 1.696 179.287 177.584 0.010 0.000 1.245 272 A CA -0.363 51.680 52.037 0.010 0.000 0.932 272 A CB 0.096 19.103 19.000 0.011 0.000 1.037 272 A HN 0.723 nan 8.150 nan 0.000 0.522 273 R N -0.165 120.341 120.500 0.010 0.000 2.290 273 R HA 0.117 4.453 4.340 -0.006 0.000 0.197 273 R C 0.759 177.058 176.300 -0.003 0.000 0.913 273 R CA 0.891 56.995 56.100 0.007 0.000 1.040 273 R CB -0.327 29.981 30.300 0.013 0.000 0.992 273 R HN 0.496 nan 8.270 nan 0.000 0.500 274 V N -1.505 118.403 119.914 -0.010 0.000 2.973 274 V HA 0.477 4.593 4.120 -0.006 0.000 0.314 274 V C 0.456 176.528 176.094 -0.036 0.000 1.066 274 V CA -0.928 61.348 62.300 -0.040 0.000 1.021 274 V CB 1.996 33.781 31.823 -0.063 0.000 1.076 274 V HN -0.261 nan 8.190 nan 0.000 0.462 275 V N 3.512 123.391 119.914 -0.057 0.000 2.383 275 V HA 0.460 4.577 4.120 -0.006 0.000 0.275 275 V C 1.012 177.078 176.094 -0.046 0.000 1.036 275 V CA -0.263 62.028 62.300 -0.015 0.000 0.889 275 V CB 0.769 32.584 31.823 -0.014 0.000 0.985 275 V HN 0.935 nan 8.190 nan 0.000 0.459 276 R N 1.574 122.050 120.500 -0.040 0.000 2.334 276 R HA 0.194 4.530 4.340 -0.006 0.000 0.212 276 R C -0.131 176.085 176.300 -0.141 0.000 0.897 276 R CA -0.176 55.856 56.100 -0.113 0.000 1.056 276 R CB 0.215 30.424 30.300 -0.150 0.000 1.046 276 R HN 0.722 nan 8.270 nan 0.000 0.513 277 H N 0.206 119.251 119.070 -0.042 0.000 2.803 277 H HA 0.071 4.623 4.556 -0.006 0.000 0.330 277 H C -0.229 175.077 175.328 -0.036 0.000 1.057 277 H CA 0.009 56.038 56.048 -0.033 0.000 1.458 277 H CB 0.952 30.697 29.762 -0.028 0.000 1.470 277 H HN -0.200 nan 8.280 nan 0.000 0.560 278 V N 6.287 126.242 119.914 0.069 0.000 2.427 278 V HA -0.058 4.058 4.120 -0.006 0.000 0.268 278 V C 1.846 177.969 176.094 0.048 0.000 1.046 278 V CA 0.159 62.479 62.300 0.033 0.000 0.970 278 V CB -0.182 31.651 31.823 0.016 0.000 1.001 278 V HN 0.806 nan 8.190 nan 0.000 0.476 279 I N 3.327 123.914 120.570 0.029 0.000 2.361 279 I HA -0.120 4.046 4.170 -0.006 0.000 0.251 279 I C 2.072 178.196 176.117 0.013 0.000 1.133 279 I CA 1.896 63.207 61.300 0.018 0.000 1.413 279 I CB -0.281 37.722 38.000 0.004 0.000 1.073 279 I HN 0.564 nan 8.210 nan 0.000 0.424 280 A N 0.958 123.785 122.820 0.012 0.000 2.216 280 A HA -0.085 4.231 4.320 -0.006 0.000 0.214 280 A C 2.123 179.714 177.584 0.012 0.000 1.160 280 A CA 1.022 53.065 52.037 0.010 0.000 0.725 280 A CB -0.504 18.501 19.000 0.008 0.000 0.784 280 A HN 0.506 nan 8.150 nan 0.000 0.472 281 E N 0.041 120.254 120.200 0.020 0.000 2.208 281 E HA -0.096 4.250 4.350 -0.006 0.000 0.193 281 E C 1.149 177.759 176.600 0.016 0.000 0.988 281 E CA 0.204 56.618 56.400 0.023 0.000 0.828 281 E CB -0.203 29.523 29.700 0.042 0.000 0.763 281 E HN 0.637 nan 8.360 nan 0.000 0.478 282 R N 1.798 122.304 120.500 0.010 0.000 2.401 282 R HA 0.063 4.400 4.340 -0.006 0.000 0.299 282 R C -0.340 175.959 176.300 -0.003 0.000 1.064 282 R CA 0.038 56.136 56.100 -0.002 0.000 1.000 282 R CB 0.413 30.705 30.300 -0.014 0.000 0.973 282 R HN -0.121 nan 8.270 nan 0.000 0.438 283 R N 5.211 125.708 120.500 -0.004 0.000 2.294 283 R HA 0.314 4.650 4.340 -0.006 0.000 0.319 283 R C -0.496 175.800 176.300 -0.007 0.000 0.984 283 R CA -0.651 55.447 56.100 -0.004 0.000 0.861 283 R CB 1.217 31.515 30.300 -0.002 0.000 1.104 283 R HN 0.471 nan 8.270 nan 0.000 0.451 284 L N 2.610 123.829 121.223 -0.006 0.000 2.343 284 L HA 0.372 4.708 4.340 -0.006 0.000 0.275 284 L C 0.082 176.948 176.870 -0.007 0.000 1.056 284 L CA -0.638 54.197 54.840 -0.008 0.000 0.804 284 L CB 1.119 43.173 42.059 -0.007 0.000 1.203 284 L HN 0.691 nan 8.230 nan 0.000 0.440 285 D N 0.854 121.250 120.400 -0.007 0.000 2.585 285 D HA 0.459 5.095 4.640 -0.006 0.000 0.254 285 D C 0.607 176.903 176.300 -0.006 0.000 1.067 285 D CA -0.352 53.645 54.000 -0.006 0.000 1.090 285 D CB 1.234 42.030 40.800 -0.006 0.000 1.408 285 D HN 0.415 nan 8.370 nan 0.000 0.554 286 A N -0.171 122.645 122.820 -0.006 0.000 1.948 286 A HA 0.008 4.324 4.320 -0.006 0.000 0.220 286 A C 2.043 179.623 177.584 -0.006 0.000 1.177 286 A CA 2.204 54.238 52.037 -0.005 0.000 0.636 286 A CB -1.675 17.322 19.000 -0.005 0.000 0.815 286 A HN 0.696 nan 8.150 nan 0.000 0.449 287 G N -0.840 107.956 108.800 -0.007 0.000 2.509 287 G HA2 -0.137 3.819 3.960 -0.006 0.000 0.218 287 G HA3 -0.137 3.819 3.960 -0.006 0.000 0.218 287 G C 0.940 175.834 174.900 -0.009 0.000 1.124 287 G CA 1.043 46.138 45.100 -0.008 0.000 0.776 287 G HN 0.540 nan 8.290 nan 0.000 0.547 288 D N 0.244 120.638 120.400 -0.010 0.000 2.333 288 D HA 0.032 4.669 4.640 -0.006 0.000 0.208 288 D C 0.917 177.211 176.300 -0.010 0.000 0.984 288 D CA -0.076 53.917 54.000 -0.012 0.000 0.873 288 D CB 0.505 41.298 40.800 -0.013 0.000 0.935 288 D HN 0.142 nan 8.370 nan 0.000 0.521 289 I N 1.673 122.238 120.570 -0.008 0.000 2.587 289 I HA 0.300 4.467 4.170 -0.006 0.000 0.284 289 I C 1.316 177.428 176.117 -0.008 0.000 1.134 289 I CA 0.748 62.044 61.300 -0.007 0.000 1.410 289 I CB 0.068 38.064 38.000 -0.006 0.000 1.392 289 I HN -0.025 nan 8.210 nan 0.000 0.545 290 G N 5.286 114.081 108.800 -0.008 0.000 2.333 290 G HA2 0.176 4.132 3.960 -0.006 0.000 0.288 290 G HA3 0.176 4.132 3.960 -0.006 0.000 0.288 290 G C -1.187 173.708 174.900 -0.008 0.000 1.286 290 G CA -0.699 44.396 45.100 -0.008 0.000 0.865 290 G HN 0.375 nan 8.290 nan 0.000 0.506 291 T N 1.911 116.459 114.554 -0.009 0.000 2.744 291 T HA 0.541 4.887 4.350 -0.006 0.000 0.291 291 T C -0.066 174.627 174.700 -0.011 0.000 0.957 291 T CA -0.188 61.906 62.100 -0.009 0.000 1.002 291 T CB 1.238 70.101 68.868 -0.009 0.000 0.919 291 T HN 0.435 nan 8.240 nan 0.000 0.468 292 E N 3.189 123.382 120.200 -0.012 0.000 2.283 292 E HA 0.206 4.552 4.350 -0.006 0.000 0.267 292 E C -1.315 175.276 176.600 -0.014 0.000 1.045 292 E CA -2.036 54.355 56.400 -0.014 0.000 0.884 292 E CB 0.716 30.407 29.700 -0.016 0.000 1.106 292 E HN 0.330 nan 8.360 nan 0.000 0.408 293 P HA -0.131 nan 4.420 nan 0.000 0.215 293 P C -0.486 176.805 177.300 -0.016 0.000 1.153 293 P CA 1.431 64.522 63.100 -0.015 0.000 0.853 293 P CB 0.319 32.009 31.700 -0.016 0.000 0.788 294 E N -1.789 118.401 120.200 -0.017 0.000 2.369 294 E HA 0.608 4.954 4.350 -0.006 0.000 0.270 294 E C -0.927 175.665 176.600 -0.015 0.000 0.909 294 E CA -1.133 55.257 56.400 -0.016 0.000 0.775 294 E CB 1.934 31.623 29.700 -0.018 0.000 1.270 294 E HN -0.083 nan 8.360 nan 0.000 0.445 295 A N 0.464 123.276 122.820 -0.013 0.000 2.366 295 A HA 0.426 4.742 4.320 -0.006 0.000 0.249 295 A C 1.165 178.744 177.584 -0.009 0.000 1.084 295 A CA 0.349 52.381 52.037 -0.008 0.000 0.794 295 A CB 0.127 19.124 19.000 -0.004 0.000 1.034 295 A HN 0.781 nan 8.150 nan 0.000 0.491 296 G N -0.471 108.326 108.800 -0.006 0.000 2.776 296 G HA2 0.250 4.206 3.960 -0.006 0.000 0.209 296 G HA3 0.250 4.206 3.960 -0.006 0.000 0.209 296 G C 0.462 175.358 174.900 -0.008 0.000 1.145 296 G CA 0.387 45.482 45.100 -0.008 0.000 0.791 296 G HN 0.723 nan 8.290 nan 0.000 0.530 297 Q N 0.149 119.950 119.800 0.001 0.000 2.397 297 Q HA 0.306 4.643 4.340 -0.006 0.000 0.275 297 Q C -1.431 174.579 176.000 0.016 0.000 1.090 297 Q CA -1.032 54.776 55.803 0.009 0.000 0.809 297 Q CB 2.072 30.832 28.738 0.036 0.000 1.362 297 Q HN 0.026 nan 8.270 nan 0.000 0.431 298 D N 0.748 121.156 120.400 0.014 0.000 2.377 298 D HA 0.347 4.983 4.640 -0.006 0.000 0.245 298 D C -0.147 176.207 176.300 0.091 0.000 1.196 298 D CA -0.046 53.970 54.000 0.028 0.000 0.962 298 D CB 0.851 41.654 40.800 0.005 0.000 1.127 298 D HN 0.623 nan 8.370 nan 0.000 0.471 299 A N 0.538 123.404 122.820 0.076 0.000 2.386 299 A HA 0.013 4.329 4.320 -0.006 0.000 0.246 299 A C 0.667 178.397 177.584 0.243 0.000 1.089 299 A CA -0.103 51.986 52.037 0.087 0.000 0.790 299 A CB -0.077 18.935 19.000 0.020 0.000 1.042 299 A HN 0.540 nan 8.150 nan 0.000 0.497 300 Y N 0.905 121.222 120.300 0.028 0.000 2.207 300 Y HA -0.205 4.341 4.550 -0.006 0.000 0.287 300 Y C 2.936 178.870 175.900 0.056 0.000 1.156 300 Y CA 1.658 59.781 58.100 0.038 0.000 1.182 300 Y CB -1.323 37.151 38.460 0.023 0.000 0.979 300 Y HN 0.741 nan 8.280 nan 0.000 0.521 301 S N -1.024 114.803 115.700 0.213 0.000 2.500 301 S HA -0.106 4.360 4.470 -0.006 0.000 0.239 301 S C 1.788 176.491 174.600 0.173 0.000 0.989 301 S CA 1.094 59.385 58.200 0.151 0.000 0.951 301 S CB -0.551 62.714 63.200 0.107 0.000 0.759 301 S HN 0.460 nan 8.310 nan 0.000 0.523 302 L N -0.334 121.011 121.223 0.203 0.000 2.588 302 L HA 0.359 4.695 4.340 -0.006 0.000 0.194 302 L C 2.747 179.832 176.870 0.358 0.000 1.070 302 L CA 0.212 55.220 54.840 0.280 0.000 0.852 302 L CB -0.203 41.958 42.059 0.169 0.000 1.199 302 L HN 0.167 nan 8.230 nan 0.000 0.486 303 R N -0.122 120.508 120.500 0.217 0.000 2.096 303 R HA -0.134 4.202 4.340 -0.006 0.000 0.235 303 R C 1.520 177.920 176.300 0.166 0.000 1.127 303 R CA 1.731 57.934 56.100 0.171 0.000 0.968 303 R CB -0.174 30.191 30.300 0.107 0.000 0.861 303 R HN 0.389 nan 8.270 nan 0.000 0.440 304 C N 0.321 119.676 119.300 0.091 0.000 2.688 304 C HA 0.433 4.889 4.460 -0.006 0.000 0.297 304 C C 2.105 177.101 174.990 0.010 0.000 1.308 304 C CA -0.368 58.639 59.018 -0.018 0.000 1.726 304 C CB -0.393 27.235 27.740 -0.187 0.000 1.982 304 C HN 0.620 nan 8.230 nan 0.000 0.604 305 A N 2.649 125.520 122.820 0.084 0.000 1.908 305 A HA -0.102 4.214 4.320 -0.006 0.000 0.218 305 A C 0.012 177.508 177.584 -0.146 0.000 1.181 305 A CA 1.796 53.816 52.037 -0.027 0.000 0.627 305 A CB -1.541 17.445 19.000 -0.024 0.000 0.818 305 A HN 0.414 nan 8.150 nan 0.000 0.445 306 P HA -0.150 nan 4.420 nan 0.000 0.215 306 P C 1.257 178.482 177.300 -0.126 0.000 1.153 306 P CA 1.489 64.494 63.100 -0.158 0.000 0.853 306 P CB -0.051 31.603 31.700 -0.077 0.000 0.788 307 Q N -0.965 118.782 119.800 -0.089 0.000 2.079 307 Q HA -0.078 4.258 4.340 -0.006 0.000 0.200 307 Q C 2.121 178.036 176.000 -0.142 0.000 0.974 307 Q CA 1.222 56.969 55.803 -0.094 0.000 0.840 307 Q CB -1.394 27.296 28.738 -0.079 0.000 0.898 307 Q HN 0.099 nan 8.270 nan 0.000 0.430 308 V N 0.292 120.118 119.914 -0.148 0.000 2.255 308 V HA -0.201 3.916 4.120 -0.006 0.000 0.243 308 V C 2.099 178.036 176.094 -0.262 0.000 1.038 308 V CA 1.450 63.650 62.300 -0.167 0.000 1.008 308 V CB -0.624 31.126 31.823 -0.121 0.000 0.645 308 V HN 0.295 nan 8.190 nan 0.000 0.449 309 L N 0.613 121.630 121.223 -0.343 0.000 2.042 309 L HA -0.122 4.214 4.340 -0.006 0.000 0.210 309 L C 2.669 179.013 176.870 -0.877 0.000 1.076 309 L CA 1.848 56.291 54.840 -0.661 0.000 0.749 309 L CB -1.243 40.406 42.059 -0.682 0.000 0.893 309 L HN 0.494 nan 8.230 nan 0.000 0.432 310 G N -0.427 108.084 108.800 -0.482 0.000 2.440 310 G HA2 -0.263 3.694 3.960 -0.006 0.000 0.218 310 G HA3 -0.263 3.694 3.960 -0.006 0.000 0.218 310 G C 1.758 176.568 174.900 -0.151 0.000 1.154 310 G CA 0.865 45.824 45.100 -0.234 0.000 0.767 310 G HN 0.484 nan 8.290 nan 0.000 0.552 311 A N 0.767 123.469 122.820 -0.196 0.000 1.930 311 A HA 0.206 4.523 4.320 -0.006 0.000 0.217 311 A C 2.697 180.220 177.584 -0.103 0.000 1.175 311 A CA 1.975 53.914 52.037 -0.163 0.000 0.627 311 A CB -0.953 17.939 19.000 -0.180 0.000 0.815 311 A HN 0.507 nan 8.150 nan 0.000 0.443 312 G N -1.088 107.617 108.800 -0.160 0.000 2.422 312 G HA2 -0.121 3.835 3.960 -0.006 0.000 0.218 312 G HA3 -0.121 3.835 3.960 -0.006 0.000 0.218 312 G C 1.289 176.267 174.900 0.129 0.000 1.146 312 G CA 1.028 46.079 45.100 -0.083 0.000 0.769 312 G HN 0.370 nan 8.290 nan 0.000 0.547 313 F N 1.705 121.658 119.950 0.006 0.000 2.186 313 F HA 0.034 4.556 4.527 -0.007 0.000 0.299 313 F C 2.312 178.137 175.800 0.042 0.000 1.090 313 F CA 0.428 58.444 58.000 0.027 0.000 1.307 313 F CB -0.594 38.415 39.000 0.015 0.000 1.019 313 F HN 0.120 nan 8.300 nan 0.000 0.489 314 D N -0.651 119.879 120.400 0.218 0.000 2.178 314 D HA -0.098 4.538 4.640 -0.006 0.000 0.202 314 D C 2.192 178.603 176.300 0.185 0.000 0.974 314 D CA 1.368 55.461 54.000 0.156 0.000 0.841 314 D CB -0.330 40.512 40.800 0.069 0.000 0.953 314 D HN 0.208 nan 8.370 nan 0.000 0.478 315 T N 1.196 115.852 114.554 0.171 0.000 2.812 315 T HA -0.106 4.240 4.350 -0.006 0.000 0.264 315 T C 1.898 176.772 174.700 0.291 0.000 1.042 315 T CA 0.345 62.588 62.100 0.239 0.000 1.140 315 T CB -0.185 68.776 68.868 0.154 0.000 0.870 315 T HN 0.042 nan 8.240 nan 0.000 0.445 316 L N 1.626 122.976 121.223 0.212 0.000 2.083 316 L HA 0.120 4.456 4.340 -0.006 0.000 0.209 316 L C 2.557 179.546 176.870 0.198 0.000 1.083 316 L CA 1.739 56.676 54.840 0.162 0.000 0.752 316 L CB -1.071 41.066 42.059 0.129 0.000 0.899 316 L HN 0.211 nan 8.230 nan 0.000 0.433 317 A N -1.137 121.801 122.820 0.197 0.000 1.902 317 A HA -0.278 4.038 4.320 -0.006 0.000 0.217 317 A C 2.137 179.862 177.584 0.235 0.000 1.181 317 A CA 1.760 53.902 52.037 0.175 0.000 0.623 317 A CB -1.464 17.630 19.000 0.157 0.000 0.818 317 A HN 0.743 nan 8.150 nan 0.000 0.443 318 W N 0.328 121.687 121.300 0.098 0.000 2.381 318 W HA -0.178 4.472 4.660 -0.016 0.000 0.301 318 W C 2.232 178.817 176.519 0.109 0.000 1.205 318 W CA 1.870 59.267 57.345 0.087 0.000 1.285 318 W CB -0.711 28.793 29.460 0.073 0.000 1.133 318 W HN 0.625 nan 8.180 nan 0.000 0.521 319 H N 0.202 119.229 119.070 -0.071 0.000 2.319 319 H HA -0.175 4.378 4.556 -0.004 0.000 0.297 319 H C 1.304 176.520 175.328 -0.187 0.000 1.097 319 H CA 2.425 58.324 56.048 -0.249 0.000 1.285 319 H CB -0.528 29.198 29.762 -0.061 0.000 1.368 319 H HN 0.064 nan 8.280 nan 0.000 0.495 320 D N 0.120 120.583 120.400 0.105 0.000 2.224 320 D HA -0.058 4.579 4.640 -0.006 0.000 0.205 320 D C 2.578 178.856 176.300 -0.037 0.000 0.965 320 D CA 0.475 54.508 54.000 0.055 0.000 0.852 320 D CB -0.178 40.688 40.800 0.109 0.000 0.947 320 D HN 0.384 nan 8.370 nan 0.000 0.494 321 R N 0.249 120.727 120.500 -0.037 0.000 2.066 321 R HA -0.042 4.295 4.340 -0.006 0.000 0.232 321 R C 2.296 178.539 176.300 -0.094 0.000 1.131 321 R CA 0.730 56.817 56.100 -0.021 0.000 0.955 321 R CB -0.429 29.903 30.300 0.053 0.000 0.851 321 R HN 0.090 nan 8.270 nan 0.000 0.432 322 V N 1.469 121.245 119.914 -0.231 0.000 2.358 322 V HA -0.219 3.897 4.120 -0.006 0.000 0.246 322 V C 2.225 178.180 176.094 -0.231 0.000 1.047 322 V CA 1.384 63.533 62.300 -0.253 0.000 1.035 322 V CB -0.430 31.125 31.823 -0.448 0.000 0.658 322 V HN 0.233 nan 8.190 nan 0.000 0.452 323 L N 0.012 121.061 121.223 -0.290 0.000 2.083 323 L HA -0.135 4.201 4.340 -0.006 0.000 0.209 323 L C 2.446 179.239 176.870 -0.127 0.000 1.083 323 L CA 2.359 57.057 54.840 -0.236 0.000 0.752 323 L CB -0.994 40.890 42.059 -0.291 0.000 0.899 323 L HN 0.335 nan 8.230 nan 0.000 0.433 324 T N -0.033 114.471 114.554 -0.083 0.000 2.720 324 T HA -0.177 4.169 4.350 -0.006 0.000 0.268 324 T C 1.969 176.659 174.700 -0.017 0.000 1.037 324 T CA 2.074 64.158 62.100 -0.027 0.000 1.144 324 T CB -0.310 68.582 68.868 0.040 0.000 0.864 324 T HN 0.325 nan 8.240 nan 0.000 0.444 325 I N 0.679 121.228 120.570 -0.036 0.000 2.179 325 I HA -0.154 4.013 4.170 -0.006 0.000 0.242 325 I C 2.744 178.814 176.117 -0.079 0.000 1.088 325 I CA 1.334 62.608 61.300 -0.043 0.000 1.357 325 I CB -0.353 37.600 38.000 -0.079 0.000 1.051 325 I HN 0.214 nan 8.210 nan 0.000 0.409 326 E N 1.359 121.490 120.200 -0.114 0.000 2.085 326 E HA -0.266 4.081 4.350 -0.006 0.000 0.194 326 E C 2.027 178.577 176.600 -0.083 0.000 0.994 326 E CA 1.379 57.710 56.400 -0.114 0.000 0.801 326 E CB -0.304 29.323 29.700 -0.122 0.000 0.743 326 E HN 0.327 nan 8.360 nan 0.000 0.453 327 L N 0.886 122.061 121.223 -0.081 0.000 2.046 327 L HA -0.087 4.249 4.340 -0.006 0.000 0.208 327 L C 1.258 178.083 176.870 -0.074 0.000 1.077 327 L CA 1.823 56.617 54.840 -0.076 0.000 0.747 327 L CB -0.417 41.591 42.059 -0.086 0.000 0.896 327 L HN 0.138 nan 8.230 nan 0.000 0.432 328 N N -0.020 118.639 118.700 -0.068 0.000 2.322 328 N HA 0.184 4.920 4.740 -0.006 0.000 0.194 328 N C 0.335 175.831 175.510 -0.022 0.000 1.126 328 N CA 0.631 53.655 53.050 -0.045 0.000 0.845 328 N CB 0.192 38.680 38.487 0.002 0.000 0.976 328 N HN 0.435 nan 8.380 nan 0.000 0.475 329 A N 0.222 123.018 122.820 -0.040 0.000 2.248 329 A HA 0.589 4.906 4.320 -0.006 0.000 0.316 329 A C -0.007 177.553 177.584 -0.040 0.000 1.101 329 A CA -0.404 51.606 52.037 -0.044 0.000 0.875 329 A CB 0.988 19.945 19.000 -0.071 0.000 1.207 329 A HN -0.044 nan 8.150 nan 0.000 0.504 330 V N 1.119 121.008 119.914 -0.042 0.000 2.328 330 V HA 0.327 4.443 4.120 -0.006 0.000 0.278 330 V C 0.846 176.913 176.094 -0.044 0.000 1.021 330 V CA 0.390 62.669 62.300 -0.035 0.000 0.838 330 V CB 0.687 32.491 31.823 -0.033 0.000 0.999 330 V HN 1.029 nan 8.190 nan 0.000 0.447 331 T N -0.732 113.806 114.554 -0.027 0.000 3.176 331 T HA 0.218 4.565 4.350 -0.006 0.000 0.263 331 T C 0.152 174.869 174.700 0.029 0.000 1.021 331 T CA -0.539 61.552 62.100 -0.014 0.000 0.905 331 T CB -0.305 68.564 68.868 0.002 0.000 1.057 331 T HN 0.547 nan 8.240 nan 0.000 0.558 332 D N 2.386 122.792 120.400 0.009 0.000 2.360 332 D HA 0.522 5.159 4.640 -0.006 0.000 0.242 332 D C -0.038 176.273 176.300 0.019 0.000 1.184 332 D CA 0.006 54.022 54.000 0.028 0.000 0.930 332 D CB 0.428 41.225 40.800 -0.005 0.000 1.161 332 D HN 0.350 nan 8.370 nan 0.000 0.447 333 N N -0.271 118.460 118.700 0.051 0.000 2.600 333 N HA 0.244 4.981 4.740 -0.006 0.000 0.272 333 N C -2.939 172.585 175.510 0.023 0.000 1.095 333 N CA -1.218 51.839 53.050 0.012 0.000 0.993 333 N CB 1.686 40.308 38.487 0.226 0.000 1.603 333 N HN 0.022 nan 8.380 nan 0.000 0.526 334 P HA 0.285 nan 4.420 nan 0.000 0.277 334 P C -0.884 176.082 177.300 -0.556 0.000 1.276 334 P CA -0.387 62.419 63.100 -0.491 0.000 0.788 334 P CB 0.771 31.989 31.700 -0.803 0.000 1.114 335 V N -3.866 115.654 119.914 -0.657 0.000 2.876 335 V HA 0.589 4.705 4.120 -0.006 0.000 0.312 335 V C -0.928 174.741 176.094 -0.708 0.000 1.085 335 V CA -0.902 61.048 62.300 -0.583 0.000 0.945 335 V CB 1.584 33.251 31.823 -0.259 0.000 1.017 335 V HN 0.216 nan 8.190 nan 0.000 0.428 336 F N 2.500 122.438 119.950 -0.020 0.000 2.311 336 F HA 0.596 5.123 4.527 -0.000 0.000 0.371 336 F C -2.358 173.440 175.800 -0.004 0.000 1.083 336 F CA -2.633 55.363 58.000 -0.006 0.000 1.113 336 F CB 1.133 40.136 39.000 0.004 0.000 1.349 336 F HN 0.296 nan 8.300 nan 0.000 0.470 337 P HA -0.042 nan 4.420 nan 0.000 0.255 337 P C -1.969 175.377 177.300 0.076 0.000 1.161 337 P CA -0.529 62.608 63.100 0.061 0.000 0.768 337 P CB 0.387 32.113 31.700 0.043 0.000 0.746 338 P HA -0.185 nan 4.420 nan 0.000 0.219 338 P C 0.780 178.101 177.300 0.036 0.000 1.146 338 P CA 1.346 64.474 63.100 0.047 0.000 0.808 338 P CB -0.070 31.650 31.700 0.033 0.000 0.779 339 D N -1.980 118.439 120.400 0.031 0.000 2.317 339 D HA 0.044 4.680 4.640 -0.006 0.000 0.211 339 D C 1.462 177.779 176.300 0.029 0.000 0.966 339 D CA 0.961 54.976 54.000 0.025 0.000 0.876 339 D CB -1.114 39.697 40.800 0.019 0.000 0.927 339 D HN 0.164 nan 8.370 nan 0.000 0.519 340 G N 0.008 108.832 108.800 0.041 0.000 2.143 340 G HA2 -0.360 3.596 3.960 -0.006 0.000 0.249 340 G HA3 -0.360 3.596 3.960 -0.006 0.000 0.249 340 G C 1.234 176.158 174.900 0.041 0.000 0.981 340 G CA 1.001 46.128 45.100 0.045 0.000 0.665 340 G HN 0.644 nan 8.290 nan 0.000 0.528 341 S N -1.378 114.343 115.700 0.036 0.000 2.374 341 S HA 0.158 4.624 4.470 -0.006 0.000 0.227 341 S C 1.217 175.839 174.600 0.038 0.000 1.037 341 S CA 2.129 60.347 58.200 0.030 0.000 1.024 341 S CB -0.424 62.790 63.200 0.023 0.000 0.861 341 S HN 2.117 nan 8.310 nan 0.000 0.456 342 V N -3.934 116.010 119.914 0.050 0.000 3.114 342 V HA 0.560 4.676 4.120 -0.006 0.000 0.308 342 V C -2.541 173.608 176.094 0.092 0.000 1.168 342 V CA -2.130 60.207 62.300 0.062 0.000 1.015 342 V CB 1.234 33.090 31.823 0.055 0.000 1.050 342 V HN -0.122 nan 8.190 nan 0.000 0.433 343 P HA 0.182 nan 4.420 nan 0.000 0.215 343 P C 0.309 177.764 177.300 0.259 0.000 1.153 343 P CA 2.316 65.514 63.100 0.163 0.000 0.853 343 P CB 0.160 31.949 31.700 0.149 0.000 0.788 344 A N -2.170 120.761 122.820 0.184 0.000 2.597 344 A HA 0.632 4.949 4.320 -0.006 0.000 0.292 344 A C -1.895 175.699 177.584 0.017 0.000 1.057 344 A CA -0.549 51.535 52.037 0.080 0.000 0.674 344 A CB 0.406 19.465 19.000 0.099 0.000 1.278 344 A HN -0.049 nan 8.150 nan 0.000 0.416 345 L N 1.017 122.159 121.223 -0.136 0.000 2.362 345 L HA 0.616 4.952 4.340 -0.006 0.000 0.271 345 L C -1.092 175.652 176.870 -0.209 0.000 1.002 345 L CA -0.722 54.076 54.840 -0.071 0.000 0.818 345 L CB 2.270 44.280 42.059 -0.083 0.000 1.298 345 L HN 0.844 nan 8.230 nan 0.000 0.420 346 H N 1.097 120.107 119.070 -0.100 0.000 2.539 346 H HA 0.726 5.276 4.556 -0.010 0.000 0.332 346 H C 0.129 175.392 175.328 -0.108 0.000 1.031 346 H CA -0.204 55.781 56.048 -0.104 0.000 1.206 346 H CB 1.899 31.601 29.762 -0.100 0.000 1.446 346 H HN 0.734 nan 8.280 nan 0.000 0.496 347 G N 0.739 109.499 108.800 -0.068 0.000 2.896 347 G HA2 0.458 4.414 3.960 -0.006 0.000 0.247 347 G HA3 0.458 4.414 3.960 -0.006 0.000 0.247 347 G C -0.217 174.508 174.900 -0.292 0.000 1.187 347 G CA -0.335 44.684 45.100 -0.135 0.000 0.837 347 G HN 0.641 nan 8.290 nan 0.000 0.559 348 G N 0.019 108.532 108.800 -0.479 0.000 4.716 348 G HA2 0.276 4.233 3.960 -0.006 0.000 0.282 348 G HA3 0.276 4.233 3.960 -0.006 0.000 0.282 348 G C 0.245 174.561 174.900 -0.973 0.000 1.173 348 G CA -0.160 44.286 45.100 -1.091 0.000 0.913 348 G HN 0.262 nan 8.290 nan 0.000 0.566 349 N N 0.893 119.233 118.700 -0.599 0.000 2.609 349 N HA -0.044 4.692 4.740 -0.006 0.000 0.190 349 N C 1.468 176.841 175.510 -0.228 0.000 1.157 349 N CA 0.336 53.192 53.050 -0.324 0.000 0.918 349 N CB -0.148 38.228 38.487 -0.185 0.000 0.978 349 N HN 0.631 nan 8.380 nan 0.000 0.448 350 F N -1.278 118.649 119.950 -0.038 0.000 2.789 350 F HA 0.336 4.868 4.527 0.007 0.000 0.300 350 F C 0.819 176.612 175.800 -0.011 0.000 1.132 350 F CA -0.807 57.177 58.000 -0.027 0.000 1.404 350 F CB -0.714 38.270 39.000 -0.027 0.000 1.114 350 F HN -0.166 nan 8.300 nan 0.000 0.584 351 M N 2.782 122.396 119.600 0.023 0.000 2.429 351 M HA 0.354 4.830 4.480 -0.006 0.000 0.334 351 M C 0.941 177.293 176.300 0.086 0.000 1.560 351 M CA -0.529 54.838 55.300 0.113 0.000 1.291 351 M CB 0.097 32.684 32.600 -0.022 0.000 1.754 351 M HN 0.239 nan 8.290 nan 0.000 0.456 352 G N 3.492 112.358 108.800 0.110 0.000 3.471 352 G HA2 0.043 3.999 3.960 -0.006 0.000 0.254 352 G HA3 0.043 3.999 3.960 -0.006 0.000 0.254 352 G C 0.664 175.607 174.900 0.071 0.000 1.199 352 G CA -0.206 44.942 45.100 0.080 0.000 1.683 352 G HN 0.813 nan 8.290 nan 0.000 0.625 353 Q N -0.040 119.806 119.800 0.076 0.000 2.167 353 Q HA -0.085 4.251 4.340 -0.006 0.000 0.202 353 Q C 1.927 177.917 176.000 -0.017 0.000 0.970 353 Q CA 1.420 57.238 55.803 0.026 0.000 0.855 353 Q CB -0.094 28.642 28.738 -0.002 0.000 0.911 353 Q HN 0.713 nan 8.270 nan 0.000 0.438 354 H N -1.723 117.324 119.070 -0.038 0.000 2.326 354 H HA -0.054 4.493 4.556 -0.014 0.000 0.301 354 H C 1.800 177.045 175.328 -0.139 0.000 1.081 354 H CA 1.723 57.721 56.048 -0.083 0.000 1.334 354 H CB -0.028 29.672 29.762 -0.102 0.000 1.385 354 H HN 0.066 nan 8.280 nan 0.000 0.504 355 V N 0.506 120.424 119.914 0.007 0.000 2.515 355 V HA -0.212 3.904 4.120 -0.006 0.000 0.250 355 V C 2.488 178.564 176.094 -0.030 0.000 1.058 355 V CA 1.361 63.623 62.300 -0.063 0.000 1.064 355 V CB -0.911 30.890 31.823 -0.038 0.000 0.675 355 V HN 0.566 nan 8.190 nan 0.000 0.461 356 A N 0.134 122.955 122.820 0.002 0.000 1.865 356 A HA -0.178 4.138 4.320 -0.006 0.000 0.217 356 A C 2.191 179.789 177.584 0.023 0.000 1.191 356 A CA 1.915 53.964 52.037 0.021 0.000 0.623 356 A CB -0.559 18.457 19.000 0.027 0.000 0.826 356 A HN 0.489 nan 8.150 nan 0.000 0.444 357 L N -0.162 121.065 121.223 0.006 0.000 2.093 357 L HA -0.136 4.200 4.340 -0.006 0.000 0.208 357 L C 2.938 179.856 176.870 0.081 0.000 1.085 357 L CA 1.747 56.621 54.840 0.057 0.000 0.755 357 L CB -0.922 41.184 42.059 0.077 0.000 0.904 357 L HN 0.668 nan 8.230 nan 0.000 0.435 358 T N -4.685 109.814 114.554 -0.091 0.000 2.904 358 T HA -0.073 4.273 4.350 -0.006 0.000 0.267 358 T C 2.034 176.809 174.700 0.125 0.000 1.059 358 T CA 1.145 63.141 62.100 -0.174 0.000 1.137 358 T CB -0.166 68.357 68.868 -0.575 0.000 0.879 358 T HN 0.108 nan 8.240 nan 0.000 0.467 359 S N 1.664 117.428 115.700 0.107 0.000 2.368 359 S HA -0.097 4.369 4.470 -0.006 0.000 0.224 359 S C 1.854 176.526 174.600 0.119 0.000 1.029 359 S CA 1.224 59.520 58.200 0.160 0.000 0.988 359 S CB -0.527 62.740 63.200 0.111 0.000 0.838 359 S HN 0.520 nan 8.310 nan 0.000 0.462 360 D N 1.650 122.111 120.400 0.101 0.000 2.117 360 D HA -0.001 4.635 4.640 -0.006 0.000 0.197 360 D C 2.133 178.494 176.300 0.101 0.000 0.987 360 D CA 1.200 55.253 54.000 0.088 0.000 0.829 360 D CB -0.453 40.393 40.800 0.077 0.000 0.961 360 D HN 0.369 nan 8.370 nan 0.000 0.460 361 A N 0.747 123.663 122.820 0.160 0.000 1.902 361 A HA -0.144 4.172 4.320 -0.006 0.000 0.217 361 A C 2.163 179.829 177.584 0.138 0.000 1.181 361 A CA 1.026 53.178 52.037 0.191 0.000 0.623 361 A CB -0.718 18.525 19.000 0.404 0.000 0.818 361 A HN 0.246 nan 8.150 nan 0.000 0.443 362 L N -0.238 121.069 121.223 0.139 0.000 2.046 362 L HA -0.033 4.304 4.340 -0.006 0.000 0.208 362 L C 2.665 179.536 176.870 0.002 0.000 1.077 362 L CA 2.075 56.945 54.840 0.050 0.000 0.747 362 L CB -0.820 41.212 42.059 -0.045 0.000 0.896 362 L HN 0.349 nan 8.230 nan 0.000 0.432 363 A N -1.444 121.390 122.820 0.023 0.000 1.908 363 A HA -0.242 4.075 4.320 -0.006 0.000 0.218 363 A C 2.273 179.838 177.584 -0.031 0.000 1.181 363 A CA 2.476 54.516 52.037 0.004 0.000 0.627 363 A CB -1.276 17.741 19.000 0.029 0.000 0.818 363 A HN 0.516 nan 8.150 nan 0.000 0.445 364 T N 0.250 114.795 114.554 -0.015 0.000 2.708 364 T HA -0.028 4.318 4.350 -0.006 0.000 0.266 364 T C 2.242 176.889 174.700 -0.088 0.000 1.037 364 T CA 1.710 63.787 62.100 -0.038 0.000 1.146 364 T CB -0.511 68.350 68.868 -0.012 0.000 0.865 364 T HN 0.622 nan 8.240 nan 0.000 0.435 365 A N 0.943 123.713 122.820 -0.083 0.000 1.902 365 A HA -0.057 4.259 4.320 -0.006 0.000 0.217 365 A C 2.595 180.011 177.584 -0.280 0.000 1.181 365 A CA 1.372 53.326 52.037 -0.139 0.000 0.623 365 A CB -1.065 17.890 19.000 -0.076 0.000 0.818 365 A HN 0.350 nan 8.150 nan 0.000 0.443 366 V N -0.260 119.479 119.914 -0.292 0.000 2.343 366 V HA -0.232 3.884 4.120 -0.006 0.000 0.247 366 V C 2.744 178.516 176.094 -0.536 0.000 1.051 366 V CA 2.485 64.467 62.300 -0.531 0.000 1.036 366 V CB -1.164 30.519 31.823 -0.233 0.000 0.654 366 V HN 0.620 nan 8.190 nan 0.000 0.451 367 T N -0.241 114.145 114.554 -0.279 0.000 2.788 367 T HA -0.146 4.201 4.350 -0.006 0.000 0.268 367 T C 1.935 176.499 174.700 -0.226 0.000 1.044 367 T CA 1.540 63.517 62.100 -0.205 0.000 1.139 367 T CB -0.155 68.650 68.868 -0.105 0.000 0.867 367 T HN 0.284 nan 8.240 nan 0.000 0.454 368 V N 1.245 121.023 119.914 -0.226 0.000 2.295 368 V HA -0.103 4.013 4.120 -0.006 0.000 0.246 368 V C 2.395 178.343 176.094 -0.244 0.000 1.049 368 V CA 1.353 63.538 62.300 -0.191 0.000 1.024 368 V CB -0.572 31.153 31.823 -0.162 0.000 0.648 368 V HN 0.322 nan 8.190 nan 0.000 0.447 369 L N 0.337 121.320 121.223 -0.400 0.000 2.141 369 L HA -0.047 4.289 4.340 -0.006 0.000 0.209 369 L C 2.510 179.151 176.870 -0.381 0.000 1.094 369 L CA 2.029 56.617 54.840 -0.421 0.000 0.763 369 L CB -1.153 40.524 42.059 -0.636 0.000 0.908 369 L HN 0.293 nan 8.230 nan 0.000 0.437 370 A N -0.666 121.810 122.820 -0.574 0.000 1.968 370 A HA -0.005 4.311 4.320 -0.006 0.000 0.217 370 A C 2.413 179.965 177.584 -0.053 0.000 1.169 370 A CA 1.335 53.220 52.037 -0.253 0.000 0.638 370 A CB -1.109 17.757 19.000 -0.223 0.000 0.812 370 A HN 0.411 nan 8.150 nan 0.000 0.446 371 G N -0.132 108.611 108.800 -0.095 0.000 2.422 371 G HA2 -0.089 3.867 3.960 -0.006 0.000 0.218 371 G HA3 -0.089 3.867 3.960 -0.006 0.000 0.218 371 G C 1.456 176.354 174.900 -0.004 0.000 1.140 371 G CA 1.124 46.203 45.100 -0.036 0.000 0.775 371 G HN 0.492 nan 8.290 nan 0.000 0.545 372 L N 1.383 122.597 121.223 -0.014 0.000 2.017 372 L HA 0.189 4.525 4.340 -0.006 0.000 0.208 372 L C 2.980 179.888 176.870 0.064 0.000 1.073 372 L CA 2.242 57.095 54.840 0.023 0.000 0.745 372 L CB -0.741 41.321 42.059 0.005 0.000 0.894 372 L HN 0.199 nan 8.230 nan 0.000 0.432 373 A N -0.886 121.995 122.820 0.102 0.000 1.902 373 A HA -0.211 4.105 4.320 -0.006 0.000 0.217 373 A C 2.322 179.962 177.584 0.093 0.000 1.181 373 A CA 1.634 53.752 52.037 0.134 0.000 0.623 373 A CB -0.751 18.388 19.000 0.233 0.000 0.818 373 A HN 0.584 nan 8.150 nan 0.000 0.443 374 E N -0.012 120.235 120.200 0.079 0.000 2.077 374 E HA -0.192 4.154 4.350 -0.006 0.000 0.193 374 E C 2.023 178.655 176.600 0.053 0.000 0.989 374 E CA 0.850 57.287 56.400 0.062 0.000 0.800 374 E CB -0.194 29.536 29.700 0.051 0.000 0.746 374 E HN 0.364 nan 8.360 nan 0.000 0.452 375 R N 0.320 120.849 120.500 0.048 0.000 2.148 375 R HA -0.021 4.315 4.340 -0.006 0.000 0.223 375 R C 2.345 178.673 176.300 0.048 0.000 1.088 375 R CA 0.737 56.864 56.100 0.044 0.000 0.985 375 R CB -0.345 29.979 30.300 0.041 0.000 0.880 375 R HN 0.397 nan 8.270 nan 0.000 0.451 376 Q N 0.015 119.848 119.800 0.056 0.000 2.119 376 Q HA -0.027 4.309 4.340 -0.006 0.000 0.201 376 Q C 2.164 178.187 176.000 0.039 0.000 0.972 376 Q CA 1.080 56.916 55.803 0.056 0.000 0.847 376 Q CB -0.060 28.721 28.738 0.071 0.000 0.903 376 Q HN 0.299 nan 8.270 nan 0.000 0.433 377 I N 0.653 121.246 120.570 0.039 0.000 2.202 377 I HA -0.255 3.911 4.170 -0.006 0.000 0.242 377 I C 2.441 178.584 176.117 0.043 0.000 1.091 377 I CA 0.934 62.251 61.300 0.027 0.000 1.368 377 I CB -0.436 37.584 38.000 0.034 0.000 1.058 377 I HN 0.144 nan 8.210 nan 0.000 0.410 378 A N 0.782 123.635 122.820 0.054 0.000 1.978 378 A HA -0.265 4.051 4.320 -0.006 0.000 0.220 378 A C 2.431 180.036 177.584 0.035 0.000 1.170 378 A CA 2.040 54.115 52.037 0.063 0.000 0.636 378 A CB -0.662 18.372 19.000 0.057 0.000 0.810 378 A HN 0.416 nan 8.150 nan 0.000 0.448 379 R N -0.997 119.516 120.500 0.022 0.000 2.062 379 R HA -0.009 4.327 4.340 -0.006 0.000 0.226 379 R C 2.038 178.331 176.300 -0.013 0.000 1.125 379 R CA 1.334 57.437 56.100 0.004 0.000 0.966 379 R CB -0.417 29.892 30.300 0.015 0.000 0.861 379 R HN 0.386 nan 8.270 nan 0.000 0.433 380 L N 1.270 122.490 121.223 -0.006 0.000 2.079 380 L HA -0.114 4.223 4.340 -0.006 0.000 0.210 380 L C 1.961 178.805 176.870 -0.043 0.000 1.081 380 L CA 2.455 57.282 54.840 -0.022 0.000 0.752 380 L CB -0.491 41.554 42.059 -0.023 0.000 0.896 380 L HN 0.457 nan 8.230 nan 0.000 0.433 381 T N -4.172 110.362 114.554 -0.034 0.000 3.107 381 T HA 0.034 4.380 4.350 -0.006 0.000 0.249 381 T C 0.701 175.216 174.700 -0.309 0.000 1.096 381 T CA -0.159 61.899 62.100 -0.071 0.000 1.012 381 T CB -0.492 68.462 68.868 0.144 0.000 0.977 381 T HN 0.251 nan 8.240 nan 0.000 0.527 382 D N 2.630 122.906 120.400 -0.205 0.000 2.347 382 D HA 0.072 4.708 4.640 -0.006 0.000 0.235 382 D C 1.309 177.487 176.300 -0.202 0.000 1.149 382 D CA -0.277 53.578 54.000 -0.242 0.000 0.850 382 D CB 1.279 42.018 40.800 -0.102 0.000 1.061 382 D HN 0.614 nan 8.370 nan 0.000 0.487 383 E N 3.344 123.393 120.200 -0.251 0.000 2.267 383 E HA -0.192 4.154 4.350 -0.006 0.000 0.197 383 E C 1.062 177.612 176.600 -0.085 0.000 0.998 383 E CA 0.721 57.036 56.400 -0.143 0.000 0.830 383 E CB 0.091 29.719 29.700 -0.120 0.000 0.751 383 E HN 0.367 nan 8.360 nan 0.000 0.491 384 R N 0.056 120.508 120.500 -0.080 0.000 2.275 384 R HA 0.158 4.494 4.340 -0.006 0.000 0.199 384 R C 1.686 177.961 176.300 -0.042 0.000 0.989 384 R CA 0.566 56.637 56.100 -0.048 0.000 1.016 384 R CB 0.179 30.457 30.300 -0.037 0.000 0.918 384 R HN 0.291 nan 8.270 nan 0.000 0.473 385 L N -0.067 121.126 121.223 -0.050 0.000 2.878 385 L HA 0.113 4.449 4.340 -0.006 0.000 0.253 385 L C 0.595 177.444 176.870 -0.035 0.000 1.135 385 L CA -0.116 54.701 54.840 -0.038 0.000 0.943 385 L CB 0.205 42.244 42.059 -0.033 0.000 1.307 385 L HN 0.093 nan 8.230 nan 0.000 0.545 386 N N 0.936 119.608 118.700 -0.047 0.000 2.362 386 N HA -0.036 4.700 4.740 -0.006 0.000 0.204 386 N C 0.003 175.494 175.510 -0.030 0.000 1.166 386 N CA -0.291 52.736 53.050 -0.039 0.000 0.831 386 N CB -0.182 38.273 38.487 -0.052 0.000 1.008 386 N HN 0.072 nan 8.380 nan 0.000 0.472 387 R N -0.370 120.113 120.500 -0.028 0.000 3.188 387 R HA -0.167 4.169 4.340 -0.006 0.000 0.247 387 R C 0.788 177.076 176.300 -0.020 0.000 0.918 387 R CA 0.489 56.575 56.100 -0.022 0.000 0.629 387 R CB -2.109 28.180 30.300 -0.018 0.000 1.087 387 R HN 0.633 nan 8.270 nan 0.000 0.462 388 G N -0.832 107.955 108.800 -0.022 0.000 2.195 388 G HA2 -0.309 3.647 3.960 -0.006 0.000 0.246 388 G HA3 -0.309 3.647 3.960 -0.006 0.000 0.246 388 G C 0.265 175.152 174.900 -0.021 0.000 0.984 388 G CA 0.106 45.194 45.100 -0.018 0.000 0.633 388 G HN 0.290 nan 8.290 nan 0.000 0.525 389 L N 1.482 122.688 121.223 -0.028 0.000 2.418 389 L HA 0.420 4.756 4.340 -0.006 0.000 0.265 389 L C -1.622 175.227 176.870 -0.035 0.000 1.143 389 L CA -2.054 52.768 54.840 -0.031 0.000 0.809 389 L CB 0.728 42.769 42.059 -0.030 0.000 1.124 389 L HN -0.095 nan 8.230 nan 0.000 0.456 390 P HA 0.035 nan 4.420 nan 0.000 0.267 390 P C -2.460 174.858 177.300 0.030 0.000 1.200 390 P CA -0.866 62.220 63.100 -0.022 0.000 0.772 390 P CB -0.188 31.376 31.700 -0.227 0.000 0.855 391 P HA -0.037 nan 4.420 nan 0.000 0.263 391 P C -0.205 177.114 177.300 0.033 0.000 1.195 391 P CA 0.390 63.418 63.100 -0.120 0.000 0.762 391 P CB -0.166 31.508 31.700 -0.044 0.000 0.799 392 F N 1.571 121.619 119.950 0.163 0.000 3.069 392 F HA -0.243 4.281 4.527 -0.006 0.000 0.285 392 F C 1.330 177.301 175.800 0.286 0.000 0.827 392 F CA 0.352 58.472 58.000 0.200 0.000 1.108 392 F CB -2.633 36.478 39.000 0.185 0.000 1.252 392 F HN 0.278 nan 8.300 nan 0.000 0.483 393 L N -1.721 119.656 121.223 0.257 0.000 3.737 393 L HA -0.316 4.020 4.340 -0.006 0.000 0.418 393 L C 1.326 178.346 176.870 0.251 0.000 1.216 393 L CA 1.034 56.006 54.840 0.221 0.000 0.915 393 L CB -1.999 40.206 42.059 0.244 0.000 1.834 393 L HN 0.706 nan 8.230 nan 0.000 0.943 394 H N 0.353 119.547 119.070 0.207 0.000 2.603 394 H HA 0.668 5.220 4.556 -0.006 0.000 0.370 394 H C 0.290 175.674 175.328 0.094 0.000 1.225 394 H CA -0.450 55.679 56.048 0.134 0.000 1.410 394 H CB 0.946 30.778 29.762 0.116 0.000 1.495 394 H HN 0.295 nan 8.280 nan 0.000 0.602 395 R N -0.255 120.259 120.500 0.023 0.000 2.912 395 R HA 0.479 4.816 4.340 -0.006 0.000 0.262 395 R C -0.291 176.118 176.300 0.182 0.000 1.057 395 R CA -0.262 55.827 56.100 -0.019 0.000 0.981 395 R CB 1.974 32.280 30.300 0.010 0.000 1.201 395 R HN 1.090 nan 8.270 nan 0.000 0.484 396 G N 1.130 110.005 108.800 0.126 0.000 2.782 396 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.228 396 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.228 396 G C -2.722 172.304 174.900 0.210 0.000 1.372 396 G CA -1.204 43.978 45.100 0.137 0.000 0.862 396 G HN 0.378 nan 8.290 nan 0.000 0.547 397 P HA 0.461 nan 4.420 nan 0.000 0.268 397 P C 0.320 177.626 177.300 0.010 0.000 1.204 397 P CA 0.778 63.933 63.100 0.092 0.000 0.768 397 P CB 0.773 32.497 31.700 0.039 0.000 0.842 398 A N 3.106 125.902 122.820 -0.039 0.000 2.425 398 A HA 0.517 4.833 4.320 -0.006 0.000 0.249 398 A C 1.482 178.951 177.584 -0.192 0.000 1.084 398 A CA 0.813 52.622 52.037 -0.380 0.000 0.781 398 A CB -0.876 18.009 19.000 -0.190 0.000 1.019 398 A HN 0.799 nan 8.150 nan 0.000 0.490 399 G N 0.626 109.301 108.800 -0.208 0.000 3.400 399 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.209 399 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.209 399 G C 1.099 175.950 174.900 -0.082 0.000 1.411 399 G CA 0.369 45.410 45.100 -0.097 0.000 0.917 399 G HN 0.794 nan 8.290 nan 0.000 0.570 400 L N 1.160 122.342 121.223 -0.070 0.000 2.131 400 L HA 0.115 4.452 4.340 -0.006 0.000 0.210 400 L C 0.802 177.642 176.870 -0.050 0.000 1.092 400 L CA 1.054 55.868 54.840 -0.044 0.000 0.759 400 L CB -0.313 41.733 42.059 -0.022 0.000 0.903 400 L HN 0.322 nan 8.230 nan 0.000 0.435 401 N N -1.209 117.444 118.700 -0.079 0.000 2.321 401 N HA 0.190 4.927 4.740 -0.006 0.000 0.299 401 N C -0.014 175.432 175.510 -0.106 0.000 1.048 401 N CA -0.105 52.912 53.050 -0.054 0.000 0.836 401 N CB 2.077 40.589 38.487 0.042 0.000 1.269 401 N HN -0.184 nan 8.380 nan 0.000 0.486 402 S N 0.212 115.889 115.700 -0.039 0.000 2.559 402 S HA 0.242 4.708 4.470 -0.006 0.000 0.226 402 S C 1.286 175.938 174.600 0.087 0.000 1.000 402 S CA 0.057 58.249 58.200 -0.012 0.000 0.948 402 S CB 0.469 63.612 63.200 -0.094 0.000 0.870 402 S HN 0.926 nan 8.310 nan 0.000 0.497 403 G N 2.432 111.274 108.800 0.070 0.000 2.629 403 G HA2 -0.346 3.610 3.960 -0.006 0.000 0.313 403 G HA3 -0.346 3.610 3.960 -0.006 0.000 0.313 403 G C 0.251 175.067 174.900 -0.141 0.000 1.217 403 G CA 0.803 45.910 45.100 0.010 0.000 0.994 403 G HN 0.462 nan 8.290 nan 0.000 0.549 404 F N 1.360 121.397 119.950 0.145 0.000 2.664 404 F HA 0.464 4.988 4.527 -0.006 0.000 0.301 404 F C 2.407 178.235 175.800 0.046 0.000 1.126 404 F CA 0.927 58.986 58.000 0.098 0.000 1.373 404 F CB 0.128 39.203 39.000 0.125 0.000 1.042 404 F HN 0.320 nan 8.300 nan 0.000 0.535 405 M N -0.072 119.532 119.600 0.007 0.000 2.202 405 M HA -0.120 4.356 4.480 -0.006 0.000 0.262 405 M C 2.315 178.475 176.300 -0.233 0.000 1.063 405 M CA 2.133 57.157 55.300 -0.460 0.000 1.097 405 M CB -0.369 31.724 32.600 -0.844 0.000 1.382 405 M HN 0.312 nan 8.290 nan 0.000 0.413 406 G N -0.881 107.851 108.800 -0.113 0.000 2.395 406 G HA2 -0.053 3.903 3.960 -0.006 0.000 0.214 406 G HA3 -0.053 3.903 3.960 -0.006 0.000 0.214 406 G C 1.479 176.381 174.900 0.003 0.000 1.177 406 G CA 0.640 45.701 45.100 -0.065 0.000 0.794 406 G HN 0.593 nan 8.290 nan 0.000 0.532 407 A N 0.073 122.933 122.820 0.067 0.000 1.940 407 A HA -0.109 4.207 4.320 -0.006 0.000 0.219 407 A C 2.265 179.914 177.584 0.108 0.000 1.176 407 A CA 2.049 54.158 52.037 0.119 0.000 0.631 407 A CB -0.428 18.727 19.000 0.257 0.000 0.814 407 A HN 0.382 nan 8.150 nan 0.000 0.446 408 Q N 0.022 119.898 119.800 0.126 0.000 2.084 408 Q HA -0.119 4.217 4.340 -0.006 0.000 0.202 408 Q C 2.097 178.141 176.000 0.073 0.000 0.978 408 Q CA 1.997 57.872 55.803 0.119 0.000 0.844 408 Q CB -0.280 28.575 28.738 0.194 0.000 0.898 408 Q HN 0.431 nan 8.270 nan 0.000 0.426 409 V N 0.549 120.486 119.914 0.038 0.000 2.427 409 V HA -0.207 3.910 4.120 -0.006 0.000 0.248 409 V C 2.346 178.455 176.094 0.025 0.000 1.051 409 V CA 2.014 64.327 62.300 0.021 0.000 1.048 409 V CB -0.782 31.034 31.823 -0.011 0.000 0.666 409 V HN 0.387 nan 8.190 nan 0.000 0.456 410 T N 0.455 115.025 114.554 0.027 0.000 2.746 410 T HA -0.184 4.162 4.350 -0.006 0.000 0.267 410 T C 2.086 176.806 174.700 0.034 0.000 1.039 410 T CA 1.636 63.752 62.100 0.027 0.000 1.142 410 T CB -0.416 68.469 68.868 0.028 0.000 0.866 410 T HN 0.576 nan 8.240 nan 0.000 0.444 411 A N 1.265 124.111 122.820 0.043 0.000 1.908 411 A HA -0.165 4.152 4.320 -0.006 0.000 0.218 411 A C 2.559 180.170 177.584 0.045 0.000 1.181 411 A CA 2.245 54.310 52.037 0.047 0.000 0.627 411 A CB -1.298 17.734 19.000 0.053 0.000 0.818 411 A HN 0.484 nan 8.150 nan 0.000 0.445 412 T N 0.218 114.797 114.554 0.042 0.000 2.746 412 T HA -0.013 4.334 4.350 -0.006 0.000 0.267 412 T C 2.231 176.948 174.700 0.029 0.000 1.039 412 T CA 1.608 63.729 62.100 0.036 0.000 1.142 412 T CB -0.478 68.412 68.868 0.036 0.000 0.866 412 T HN 0.617 nan 8.240 nan 0.000 0.444 413 A N 1.213 124.048 122.820 0.026 0.000 1.902 413 A HA -0.004 4.312 4.320 -0.006 0.000 0.217 413 A C 2.301 179.899 177.584 0.024 0.000 1.181 413 A CA 1.220 53.270 52.037 0.021 0.000 0.623 413 A CB -0.842 18.168 19.000 0.017 0.000 0.818 413 A HN 0.482 nan 8.150 nan 0.000 0.443 414 L N -1.241 119.999 121.223 0.030 0.000 2.056 414 L HA -0.152 4.184 4.340 -0.006 0.000 0.207 414 L C 2.557 179.448 176.870 0.035 0.000 1.078 414 L CA 1.144 56.005 54.840 0.035 0.000 0.749 414 L CB -0.510 41.575 42.059 0.044 0.000 0.901 414 L HN 0.470 nan 8.230 nan 0.000 0.433 415 L N 0.191 121.435 121.223 0.034 0.000 2.056 415 L HA -0.104 4.232 4.340 -0.006 0.000 0.207 415 L C 2.643 179.521 176.870 0.014 0.000 1.078 415 L CA 1.920 56.774 54.840 0.024 0.000 0.749 415 L CB -0.661 41.411 42.059 0.022 0.000 0.901 415 L HN 0.129 nan 8.230 nan 0.000 0.433 416 A N -0.782 122.047 122.820 0.016 0.000 1.908 416 A HA -0.289 4.028 4.320 -0.006 0.000 0.218 416 A C 2.333 179.924 177.584 0.012 0.000 1.181 416 A CA 1.912 53.956 52.037 0.012 0.000 0.627 416 A CB -0.758 18.249 19.000 0.013 0.000 0.818 416 A HN 0.633 nan 8.150 nan 0.000 0.445 417 E N -0.669 119.540 120.200 0.016 0.000 2.106 417 E HA -0.180 4.166 4.350 -0.006 0.000 0.192 417 E C 2.035 178.645 176.600 0.016 0.000 0.984 417 E CA 1.263 57.672 56.400 0.016 0.000 0.806 417 E CB -0.203 29.508 29.700 0.019 0.000 0.750 417 E HN 0.676 nan 8.360 nan 0.000 0.458 418 M N -0.005 119.605 119.600 0.017 0.000 2.108 418 M HA -0.174 4.302 4.480 -0.006 0.000 0.261 418 M C 2.322 178.625 176.300 0.006 0.000 1.066 418 M CA 1.583 56.891 55.300 0.014 0.000 1.107 418 M CB -0.195 32.410 32.600 0.008 0.000 1.356 418 M HN 0.020 nan 8.290 nan 0.000 0.406 419 R N 0.101 120.603 120.500 0.002 0.000 2.189 419 R HA -0.030 4.306 4.340 -0.006 0.000 0.223 419 R C 2.219 178.524 176.300 0.008 0.000 1.092 419 R CA 1.095 57.195 56.100 0.001 0.000 0.989 419 R CB -0.462 29.837 30.300 -0.002 0.000 0.876 419 R HN 0.376 nan 8.270 nan 0.000 0.457 420 A N 0.610 123.436 122.820 0.010 0.000 2.067 420 A HA -0.043 4.273 4.320 -0.006 0.000 0.219 420 A C 0.838 178.432 177.584 0.016 0.000 1.158 420 A CA 0.980 53.024 52.037 0.012 0.000 0.661 420 A CB 0.023 19.029 19.000 0.010 0.000 0.801 420 A HN 0.121 nan 8.150 nan 0.000 0.452 421 T N 0.112 114.678 114.554 0.019 0.000 2.767 421 T HA 0.550 4.896 4.350 -0.006 0.000 0.284 421 T C 0.445 175.166 174.700 0.035 0.000 0.973 421 T CA 0.051 62.166 62.100 0.026 0.000 0.996 421 T CB 1.539 70.422 68.868 0.024 0.000 0.927 421 T HN 0.378 nan 8.240 nan 0.000 0.456 422 G N 2.927 111.761 108.800 0.056 0.000 2.795 422 G HA2 0.677 4.633 3.960 -0.006 0.000 0.267 422 G HA3 0.677 4.633 3.960 -0.006 0.000 0.267 422 G C -2.658 172.292 174.900 0.083 0.000 1.362 422 G CA -1.616 43.522 45.100 0.064 0.000 1.048 422 G HN 0.441 nan 8.290 nan 0.000 0.547 423 P HA 0.263 nan 4.420 nan 0.000 0.266 423 P C 0.324 177.698 177.300 0.123 0.000 1.195 423 P CA 0.358 63.501 63.100 0.071 0.000 0.768 423 P CB 1.320 33.039 31.700 0.032 0.000 0.838 424 A N 1.914 124.805 122.820 0.118 0.000 1.997 424 A HA -0.035 4.282 4.320 -0.006 0.000 0.212 424 A C 2.049 179.714 177.584 0.135 0.000 1.178 424 A CA 0.978 53.120 52.037 0.176 0.000 0.698 424 A CB -0.989 18.079 19.000 0.114 0.000 0.842 424 A HN 0.473 nan 8.150 nan 0.000 0.458 425 S N 0.602 116.335 115.700 0.055 0.000 2.419 425 S HA -0.176 4.290 4.470 -0.006 0.000 0.235 425 S C 1.666 176.239 174.600 -0.044 0.000 1.019 425 S CA 1.554 59.764 58.200 0.017 0.000 0.982 425 S CB -0.679 62.529 63.200 0.014 0.000 0.789 425 S HN 0.793 nan 8.310 nan 0.000 0.490 426 I N -1.391 119.085 120.570 -0.158 0.000 3.444 426 I HA 0.072 4.238 4.170 -0.006 0.000 0.287 426 I C 0.683 176.567 176.117 -0.390 0.000 1.302 426 I CA 0.919 62.052 61.300 -0.279 0.000 1.368 426 I CB -0.328 37.460 38.000 -0.354 0.000 1.048 426 I HN 0.160 nan 8.210 nan 0.000 0.487 427 H N 1.131 120.212 119.070 0.019 0.000 2.524 427 H HA 0.316 4.870 4.556 -0.004 0.000 0.299 427 H C 0.589 175.929 175.328 0.021 0.000 1.074 427 H CA -0.239 55.820 56.048 0.019 0.000 1.115 427 H CB 0.157 29.930 29.762 0.018 0.000 1.522 427 H HN 0.298 nan 8.280 nan 0.000 0.543 428 S N 1.271 117.013 115.700 0.069 0.000 2.552 428 S HA 0.189 4.655 4.470 -0.006 0.000 0.289 428 S C 0.284 174.921 174.600 0.062 0.000 1.304 428 S CA -0.195 58.042 58.200 0.062 0.000 1.063 428 S CB -0.020 63.202 63.200 0.038 0.000 0.848 428 S HN 0.294 nan 8.310 nan 0.000 0.499 429 I N 3.367 123.973 120.570 0.060 0.000 2.533 429 I HA 0.222 4.388 4.170 -0.006 0.000 0.290 429 I C 0.081 176.225 176.117 0.044 0.000 1.056 429 I CA -0.636 60.695 61.300 0.051 0.000 1.057 429 I CB 2.120 40.152 38.000 0.053 0.000 1.240 429 I HN 0.563 nan 8.210 nan 0.000 0.423 430 S N 3.895 119.618 115.700 0.039 0.000 2.525 430 S HA 0.238 4.704 4.470 -0.006 0.000 0.285 430 S C -0.191 174.431 174.600 0.036 0.000 1.283 430 S CA 0.448 58.670 58.200 0.037 0.000 1.072 430 S CB 0.204 63.423 63.200 0.031 0.000 0.867 430 S HN 0.766 nan 8.310 nan 0.000 0.492 431 T N 3.170 117.747 114.554 0.039 0.000 2.696 431 T HA 0.420 4.767 4.350 -0.006 0.000 0.291 431 T C -0.396 174.327 174.700 0.039 0.000 1.095 431 T CA -0.120 62.002 62.100 0.037 0.000 1.026 431 T CB 0.824 69.715 68.868 0.039 0.000 1.390 431 T HN 0.914 nan 8.240 nan 0.000 0.513 432 N N 0.652 119.375 118.700 0.039 0.000 2.727 432 N HA -0.218 4.519 4.740 -0.006 0.000 0.251 432 N C 0.312 175.844 175.510 0.036 0.000 1.040 432 N CA 0.767 53.842 53.050 0.042 0.000 0.712 432 N CB -1.168 37.350 38.487 0.051 0.000 0.912 432 N HN 1.527 nan 8.380 nan 0.000 0.545 433 A N -0.437 122.401 122.820 0.029 0.000 2.799 433 A HA -0.002 4.315 4.320 -0.006 0.000 0.287 433 A C 1.327 178.927 177.584 0.027 0.000 1.484 433 A CA 2.112 54.164 52.037 0.024 0.000 0.813 433 A CB -2.300 16.712 19.000 0.021 0.000 1.009 433 A HN 2.289 nan 8.150 nan 0.000 0.545 434 A N -2.483 120.355 122.820 0.030 0.000 3.396 434 A HA -0.349 3.967 4.320 -0.006 0.000 0.267 434 A C 1.376 178.982 177.584 0.036 0.000 1.139 434 A CA 1.944 54.000 52.037 0.031 0.000 1.115 434 A CB -2.548 16.468 19.000 0.026 0.000 1.133 434 A HN 2.234 nan 8.150 nan 0.000 0.920 435 N N 0.065 118.790 118.700 0.041 0.000 2.188 435 N HA -0.093 4.643 4.740 -0.006 0.000 0.184 435 N C 0.960 176.504 175.510 0.056 0.000 1.018 435 N CA 1.860 54.939 53.050 0.048 0.000 0.858 435 N CB -0.161 38.360 38.487 0.055 0.000 0.989 435 N HN 0.755 nan 8.380 nan 0.000 0.426 436 Q N 0.489 120.322 119.800 0.056 0.000 3.008 436 Q HA 0.076 4.412 4.340 -0.006 0.000 0.307 436 Q C -0.464 175.570 176.000 0.056 0.000 1.273 436 Q CA -0.292 55.550 55.803 0.065 0.000 1.091 436 Q CB 0.622 29.394 28.738 0.057 0.000 1.393 436 Q HN 0.496 nan 8.270 nan 0.000 0.521 437 D N -0.416 120.015 120.400 0.051 0.000 2.350 437 D HA -0.082 4.555 4.640 -0.006 0.000 0.216 437 D C 0.684 177.009 176.300 0.042 0.000 0.968 437 D CA 0.437 54.462 54.000 0.042 0.000 0.894 437 D CB 0.086 40.907 40.800 0.034 0.000 0.909 437 D HN 0.208 nan 8.370 nan 0.000 0.520 438 V N -1.780 118.164 119.914 0.051 0.000 2.733 438 V HA 0.737 4.853 4.120 -0.006 0.000 0.306 438 V C -0.445 175.689 176.094 0.066 0.000 1.084 438 V CA -1.218 61.111 62.300 0.049 0.000 0.905 438 V CB 1.855 33.702 31.823 0.039 0.000 1.010 438 V HN 0.092 nan 8.190 nan 0.000 0.424 439 V N 1.302 121.253 119.914 0.062 0.000 2.962 439 V HA 0.787 4.903 4.120 -0.006 0.000 0.313 439 V C 1.103 177.236 176.094 0.065 0.000 1.099 439 V CA 0.274 62.618 62.300 0.073 0.000 0.971 439 V CB 1.461 33.323 31.823 0.066 0.000 1.028 439 V HN 1.295 nan 8.190 nan 0.000 0.430 440 S N 2.507 118.250 115.700 0.072 0.000 2.406 440 S HA 0.087 4.553 4.470 -0.006 0.000 0.224 440 S C 1.151 175.784 174.600 0.056 0.000 1.030 440 S CA 1.125 59.360 58.200 0.059 0.000 0.958 440 S CB -0.854 62.386 63.200 0.065 0.000 0.811 440 S HN 1.386 nan 8.310 nan 0.000 0.489 441 L N 0.366 121.625 121.223 0.060 0.000 4.040 441 L HA -0.190 4.147 4.340 -0.006 0.000 0.410 441 L C 1.475 178.378 176.870 0.054 0.000 1.187 441 L CA 0.019 54.895 54.840 0.059 0.000 0.956 441 L CB -2.276 39.827 42.059 0.074 0.000 2.022 441 L HN 0.539 nan 8.230 nan 0.000 0.897 442 G N -0.443 108.387 108.800 0.050 0.000 2.432 442 G HA2 -0.192 3.765 3.960 -0.006 0.000 0.219 442 G HA3 -0.192 3.765 3.960 -0.006 0.000 0.219 442 G C 1.272 176.197 174.900 0.041 0.000 1.135 442 G CA 1.372 46.498 45.100 0.043 0.000 0.767 442 G HN 0.466 nan 8.290 nan 0.000 0.550 443 T N 1.342 115.919 114.554 0.038 0.000 2.777 443 T HA -0.023 4.323 4.350 -0.006 0.000 0.266 443 T C 2.375 177.097 174.700 0.036 0.000 1.040 443 T CA 0.922 63.041 62.100 0.032 0.000 1.141 443 T CB -0.117 68.765 68.868 0.024 0.000 0.868 443 T HN 0.271 nan 8.240 nan 0.000 0.444 444 I N 1.596 122.190 120.570 0.039 0.000 2.226 444 I HA -0.153 4.013 4.170 -0.006 0.000 0.245 444 I C 3.014 179.161 176.117 0.050 0.000 1.100 444 I CA 1.066 62.391 61.300 0.041 0.000 1.374 444 I CB -0.552 37.475 38.000 0.045 0.000 1.057 444 I HN 0.203 nan 8.210 nan 0.000 0.413 445 A N 0.883 123.737 122.820 0.057 0.000 1.883 445 A HA -0.218 4.098 4.320 -0.006 0.000 0.217 445 A C 2.553 180.176 177.584 0.065 0.000 1.186 445 A CA 2.098 54.172 52.037 0.063 0.000 0.624 445 A CB -0.934 18.103 19.000 0.062 0.000 0.822 445 A HN 0.439 nan 8.150 nan 0.000 0.444 446 A N -0.459 122.398 122.820 0.063 0.000 1.902 446 A HA -0.159 4.158 4.320 -0.006 0.000 0.217 446 A C 2.252 179.876 177.584 0.067 0.000 1.181 446 A CA 1.570 53.652 52.037 0.074 0.000 0.623 446 A CB -0.450 18.590 19.000 0.067 0.000 0.818 446 A HN 0.553 nan 8.150 nan 0.000 0.443 447 R N -0.605 119.927 120.500 0.053 0.000 2.092 447 R HA 0.027 4.363 4.340 -0.006 0.000 0.231 447 R C 1.968 178.298 176.300 0.049 0.000 1.119 447 R CA 1.258 57.387 56.100 0.047 0.000 0.970 447 R CB -0.413 29.908 30.300 0.035 0.000 0.864 447 R HN 0.504 nan 8.270 nan 0.000 0.440 448 L N -0.375 120.877 121.223 0.049 0.000 2.141 448 L HA -0.189 4.147 4.340 -0.006 0.000 0.209 448 L C 2.700 179.601 176.870 0.052 0.000 1.094 448 L CA 0.634 55.502 54.840 0.047 0.000 0.763 448 L CB -0.450 41.638 42.059 0.048 0.000 0.908 448 L HN 0.368 nan 8.230 nan 0.000 0.437 449 C N 0.338 119.674 119.300 0.059 0.000 2.446 449 C HA -0.144 4.313 4.460 -0.006 0.000 0.277 449 C C 3.086 178.118 174.990 0.071 0.000 1.275 449 C CA 0.789 59.843 59.018 0.060 0.000 1.727 449 C CB -0.496 27.284 27.740 0.066 0.000 2.010 449 C HN 0.495 nan 8.230 nan 0.000 0.486 450 R N 1.335 121.879 120.500 0.074 0.000 2.091 450 R HA -0.094 4.242 4.340 -0.006 0.000 0.238 450 R C 2.091 178.439 176.300 0.081 0.000 1.136 450 R CA 2.034 58.183 56.100 0.081 0.000 0.959 450 R CB -0.846 29.499 30.300 0.075 0.000 0.856 450 R HN 0.549 nan 8.270 nan 0.000 0.437 451 E N 0.685 120.926 120.200 0.067 0.000 2.077 451 E HA -0.173 4.173 4.350 -0.006 0.000 0.193 451 E C 1.874 178.519 176.600 0.075 0.000 0.989 451 E CA 1.372 57.810 56.400 0.062 0.000 0.800 451 E CB -0.126 29.602 29.700 0.048 0.000 0.746 451 E HN 0.433 nan 8.360 nan 0.000 0.452 452 K N 0.321 120.766 120.400 0.075 0.000 2.097 452 K HA -0.034 4.282 4.320 -0.006 0.000 0.205 452 K C 2.312 179.004 176.600 0.153 0.000 1.050 452 K CA 0.775 57.112 56.287 0.083 0.000 0.938 452 K CB -0.132 32.396 32.500 0.046 0.000 0.718 452 K HN 0.093 nan 8.250 nan 0.000 0.442 453 I N 1.469 122.142 120.570 0.172 0.000 2.226 453 I HA -0.286 3.880 4.170 -0.006 0.000 0.245 453 I C 1.608 177.847 176.117 0.202 0.000 1.100 453 I CA 1.186 62.643 61.300 0.261 0.000 1.374 453 I CB -0.241 37.878 38.000 0.197 0.000 1.057 453 I HN 0.145 nan 8.210 nan 0.000 0.413 454 D N 0.539 121.016 120.400 0.128 0.000 2.144 454 D HA -0.126 4.510 4.640 -0.006 0.000 0.199 454 D C 2.335 178.689 176.300 0.089 0.000 0.984 454 D CA 0.914 54.965 54.000 0.085 0.000 0.834 454 D CB -0.206 40.633 40.800 0.065 0.000 0.955 454 D HN 0.180 nan 8.370 nan 0.000 0.465 455 R N -0.058 120.511 120.500 0.115 0.000 2.092 455 R HA -0.114 4.222 4.340 -0.006 0.000 0.231 455 R C 2.136 178.545 176.300 0.182 0.000 1.119 455 R CA 0.463 56.631 56.100 0.113 0.000 0.970 455 R CB -1.030 29.328 30.300 0.096 0.000 0.864 455 R HN 0.346 nan 8.270 nan 0.000 0.440 456 W N 1.932 123.233 121.300 0.001 0.000 2.358 456 W HA -0.100 4.556 4.660 -0.006 0.000 0.303 456 W C 2.102 178.612 176.519 -0.015 0.000 1.208 456 W CA 1.429 58.774 57.345 0.001 0.000 1.274 456 W CB -0.652 28.815 29.460 0.012 0.000 1.138 456 W HN 0.135 nan 8.180 nan 0.000 0.515 457 A N 0.179 122.998 122.820 -0.002 0.000 1.933 457 A HA -0.228 4.088 4.320 -0.006 0.000 0.218 457 A C 1.871 179.372 177.584 -0.139 0.000 1.175 457 A CA 1.978 53.900 52.037 -0.192 0.000 0.628 457 A CB -0.764 18.148 19.000 -0.146 0.000 0.814 457 A HN 0.470 nan 8.150 nan 0.000 0.444 458 E N -0.398 119.778 120.200 -0.040 0.000 2.106 458 E HA -0.089 4.257 4.350 -0.006 0.000 0.192 458 E C 1.832 178.418 176.600 -0.023 0.000 0.984 458 E CA 1.067 57.445 56.400 -0.037 0.000 0.806 458 E CB -0.236 29.465 29.700 0.002 0.000 0.750 458 E HN 0.699 nan 8.360 nan 0.000 0.458 459 I N 0.856 121.449 120.570 0.038 0.000 2.252 459 I HA -0.264 3.903 4.170 -0.006 0.000 0.245 459 I C 2.214 178.344 176.117 0.021 0.000 1.102 459 I CA 0.949 62.287 61.300 0.063 0.000 1.385 459 I CB -0.128 37.963 38.000 0.152 0.000 1.064 459 I HN 0.111 nan 8.210 nan 0.000 0.414 460 L N 0.411 121.619 121.223 -0.024 0.000 2.083 460 L HA -0.185 4.151 4.340 -0.006 0.000 0.209 460 L C 2.830 179.591 176.870 -0.180 0.000 1.083 460 L CA 1.186 55.967 54.840 -0.098 0.000 0.752 460 L CB -0.665 41.250 42.059 -0.239 0.000 0.899 460 L HN 0.237 nan 8.230 nan 0.000 0.433 461 A N 0.400 123.083 122.820 -0.228 0.000 1.902 461 A HA -0.191 4.125 4.320 -0.006 0.000 0.217 461 A C 2.210 179.672 177.584 -0.204 0.000 1.181 461 A CA 1.557 53.424 52.037 -0.284 0.000 0.623 461 A CB -0.645 18.198 19.000 -0.262 0.000 0.818 461 A HN 0.345 nan 8.150 nan 0.000 0.443 462 I N -0.847 119.653 120.570 -0.117 0.000 2.226 462 I HA -0.235 3.931 4.170 -0.006 0.000 0.245 462 I C 2.429 178.477 176.117 -0.115 0.000 1.100 462 I CA 1.274 62.532 61.300 -0.071 0.000 1.374 462 I CB -0.279 37.715 38.000 -0.009 0.000 1.057 462 I HN 0.399 nan 8.210 nan 0.000 0.413 463 L N 1.177 122.347 121.223 -0.087 0.000 2.083 463 L HA -0.139 4.198 4.340 -0.006 0.000 0.209 463 L C 2.516 179.326 176.870 -0.100 0.000 1.083 463 L CA 2.085 56.878 54.840 -0.078 0.000 0.752 463 L CB -0.777 41.277 42.059 -0.008 0.000 0.899 463 L HN 0.180 nan 8.230 nan 0.000 0.433 464 A N -0.577 122.178 122.820 -0.109 0.000 1.898 464 A HA -0.140 4.176 4.320 -0.006 0.000 0.216 464 A C 2.253 179.764 177.584 -0.121 0.000 1.181 464 A CA 1.880 53.866 52.037 -0.085 0.000 0.620 464 A CB -0.829 18.077 19.000 -0.156 0.000 0.819 464 A HN 0.496 nan 8.150 nan 0.000 0.442 465 L N -0.920 120.195 121.223 -0.180 0.000 2.056 465 L HA -0.231 4.105 4.340 -0.006 0.000 0.207 465 L C 2.718 179.396 176.870 -0.320 0.000 1.078 465 L CA 1.172 55.928 54.840 -0.141 0.000 0.749 465 L CB -0.685 41.360 42.059 -0.023 0.000 0.901 465 L HN 0.482 nan 8.230 nan 0.000 0.433 466 C N -0.185 118.778 119.300 -0.562 0.000 2.432 466 C HA -0.138 4.318 4.460 -0.006 0.000 0.277 466 C C 2.752 177.536 174.990 -0.343 0.000 1.249 466 C CA 0.474 59.018 59.018 -0.791 0.000 1.725 466 C CB -0.740 26.658 27.740 -0.569 0.000 2.028 466 C HN 0.427 nan 8.230 nan 0.000 0.477 467 L N 0.931 122.046 121.223 -0.181 0.000 2.083 467 L HA -0.144 4.192 4.340 -0.006 0.000 0.209 467 L C 2.859 179.711 176.870 -0.030 0.000 1.083 467 L CA 1.476 56.275 54.840 -0.069 0.000 0.752 467 L CB -0.706 41.346 42.059 -0.012 0.000 0.899 467 L HN 0.347 nan 8.230 nan 0.000 0.433 468 A N -0.295 122.513 122.820 -0.021 0.000 1.877 468 A HA -0.297 4.019 4.320 -0.006 0.000 0.216 468 A C 2.211 179.821 177.584 0.042 0.000 1.186 468 A CA 1.994 54.050 52.037 0.032 0.000 0.620 468 A CB -0.529 18.506 19.000 0.058 0.000 0.822 468 A HN 0.424 nan 8.150 nan 0.000 0.443 469 Q N -0.338 119.486 119.800 0.040 0.000 2.046 469 Q HA -0.018 4.319 4.340 -0.006 0.000 0.200 469 Q C 2.081 178.109 176.000 0.047 0.000 0.975 469 Q CA 2.146 58.007 55.803 0.097 0.000 0.836 469 Q CB -0.520 28.358 28.738 0.233 0.000 0.896 469 Q HN 0.543 nan 8.270 nan 0.000 0.428 470 A N 0.442 123.259 122.820 -0.003 0.000 1.902 470 A HA -0.092 4.224 4.320 -0.006 0.000 0.217 470 A C 2.313 179.901 177.584 0.007 0.000 1.181 470 A CA 1.838 53.872 52.037 -0.005 0.000 0.623 470 A CB -1.252 17.730 19.000 -0.030 0.000 0.818 470 A HN 0.557 nan 8.150 nan 0.000 0.443 471 A N -0.077 122.751 122.820 0.013 0.000 1.902 471 A HA -0.197 4.119 4.320 -0.006 0.000 0.217 471 A C 1.924 179.522 177.584 0.024 0.000 1.181 471 A CA 1.724 53.774 52.037 0.022 0.000 0.623 471 A CB -0.540 18.478 19.000 0.030 0.000 0.818 471 A HN 0.660 nan 8.150 nan 0.000 0.443 472 E N -0.249 119.969 120.200 0.030 0.000 2.072 472 E HA -0.092 4.254 4.350 -0.006 0.000 0.191 472 E C 1.944 178.557 176.600 0.021 0.000 0.985 472 E CA 0.989 57.407 56.400 0.031 0.000 0.801 472 E CB -0.275 29.451 29.700 0.042 0.000 0.750 472 E HN 0.612 nan 8.360 nan 0.000 0.452 473 L N 0.528 121.762 121.223 0.019 0.000 2.093 473 L HA -0.161 4.176 4.340 -0.006 0.000 0.208 473 L C 2.649 179.519 176.870 0.000 0.000 1.085 473 L CA 0.941 55.784 54.840 0.004 0.000 0.755 473 L CB -0.175 41.882 42.059 -0.003 0.000 0.904 473 L HN 0.016 nan 8.230 nan 0.000 0.435 474 R N -0.265 120.238 120.500 0.004 0.000 2.075 474 R HA -0.050 4.286 4.340 -0.006 0.000 0.226 474 R C 1.816 178.120 176.300 0.006 0.000 1.114 474 R CA 1.676 57.777 56.100 0.002 0.000 0.972 474 R CB -0.420 29.882 30.300 0.003 0.000 0.869 474 R HN 0.359 nan 8.270 nan 0.000 0.437 475 C N -0.023 119.284 119.300 0.011 0.000 3.183 475 C HA 0.661 5.117 4.460 -0.006 0.000 0.285 475 C C 0.662 175.660 174.990 0.013 0.000 1.313 475 C CA -0.297 58.728 59.018 0.012 0.000 1.711 475 C CB -0.738 27.012 27.740 0.016 0.000 2.135 475 C HN 0.733 nan 8.230 nan 0.000 0.651 476 G N 1.642 110.450 108.800 0.013 0.000 2.746 476 G HA2 -0.136 3.820 3.960 -0.006 0.000 0.685 476 G HA3 -0.136 3.820 3.960 -0.006 0.000 0.685 476 G C 0.684 175.595 174.900 0.019 0.000 1.350 476 G CA 0.054 45.163 45.100 0.014 0.000 0.837 476 G HN 0.755 nan 8.290 nan 0.000 0.564 477 S N -0.801 114.910 115.700 0.019 0.000 2.440 477 S HA 0.056 4.522 4.470 -0.006 0.000 0.238 477 S C 2.333 176.947 174.600 0.023 0.000 1.010 477 S CA 1.906 60.120 58.200 0.023 0.000 0.972 477 S CB -0.145 63.068 63.200 0.022 0.000 0.774 477 S HN 2.162 nan 8.310 nan 0.000 0.501 478 G N 0.781 109.592 108.800 0.019 0.000 2.920 478 G HA2 0.376 4.332 3.960 -0.006 0.000 0.208 478 G HA3 0.376 4.332 3.960 -0.006 0.000 0.208 478 G C 0.506 175.417 174.900 0.020 0.000 1.159 478 G CA -0.191 44.920 45.100 0.018 0.000 0.784 478 G HN 0.589 nan 8.290 nan 0.000 0.535 479 L N 1.061 122.296 121.223 0.021 0.000 3.677 479 L HA -0.147 4.190 4.340 -0.006 0.000 0.464 479 L C -0.899 175.982 176.870 0.019 0.000 1.278 479 L CA -0.110 54.743 54.840 0.022 0.000 0.806 479 L CB -1.676 40.398 42.059 0.027 0.000 1.610 479 L HN 0.211 nan 8.230 nan 0.000 0.867 480 D N 1.398 121.807 120.400 0.016 0.000 2.417 480 D HA 0.301 4.937 4.640 -0.006 0.000 0.250 480 D C 1.362 177.671 176.300 0.014 0.000 1.166 480 D CA 1.317 55.325 54.000 0.014 0.000 0.881 480 D CB 1.364 42.171 40.800 0.012 0.000 1.164 480 D HN 0.541 nan 8.370 nan 0.000 0.467 481 G N 1.434 110.243 108.800 0.014 0.000 2.199 481 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.254 481 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.254 481 G C 0.451 175.361 174.900 0.017 0.000 0.982 481 G CA 0.086 45.194 45.100 0.014 0.000 0.632 481 G HN 0.514 nan 8.290 nan 0.000 0.529 482 V N 2.556 122.482 119.914 0.020 0.000 2.686 482 V HA 0.499 4.615 4.120 -0.006 0.000 0.295 482 V C 1.495 177.604 176.094 0.025 0.000 1.055 482 V CA 0.163 62.478 62.300 0.025 0.000 1.050 482 V CB 1.401 33.240 31.823 0.028 0.000 0.984 482 V HN 1.053 nan 8.190 nan 0.000 0.482 483 S N 5.097 120.814 115.700 0.029 0.000 2.569 483 S HA 0.111 4.577 4.470 -0.006 0.000 0.274 483 S C -1.727 172.886 174.600 0.022 0.000 1.353 483 S CA -0.577 57.639 58.200 0.027 0.000 1.023 483 S CB 0.376 63.597 63.200 0.035 0.000 0.876 483 S HN 0.580 nan 8.310 nan 0.000 0.540 484 P HA -0.033 nan 4.420 nan 0.000 0.215 484 P C 1.601 178.907 177.300 0.010 0.000 1.153 484 P CA 1.896 65.004 63.100 0.013 0.000 0.853 484 P CB -0.233 31.473 31.700 0.009 0.000 0.788 485 A N -0.310 122.514 122.820 0.006 0.000 1.898 485 A HA -0.040 4.276 4.320 -0.006 0.000 0.216 485 A C 2.468 180.053 177.584 0.002 0.000 1.181 485 A CA 1.960 53.994 52.037 -0.006 0.000 0.620 485 A CB -1.835 17.157 19.000 -0.015 0.000 0.819 485 A HN 0.265 nan 8.150 nan 0.000 0.442 486 G N -0.298 108.513 108.800 0.018 0.000 2.418 486 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.217 486 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.217 486 G C 1.684 176.605 174.900 0.034 0.000 1.158 486 G CA 1.097 46.215 45.100 0.030 0.000 0.771 486 G HN 0.561 nan 8.290 nan 0.000 0.545 487 K N 0.188 120.605 120.400 0.029 0.000 2.026 487 K HA -0.054 4.263 4.320 -0.006 0.000 0.208 487 K C 2.450 179.070 176.600 0.034 0.000 1.048 487 K CA 1.319 57.625 56.287 0.031 0.000 0.929 487 K CB -0.153 32.362 32.500 0.025 0.000 0.713 487 K HN 0.237 nan 8.250 nan 0.000 0.439 488 K N 1.385 121.800 120.400 0.025 0.000 2.063 488 K HA -0.147 4.169 4.320 -0.006 0.000 0.208 488 K C 2.166 178.791 176.600 0.040 0.000 1.048 488 K CA 1.021 57.323 56.287 0.025 0.000 0.928 488 K CB -0.093 32.413 32.500 0.010 0.000 0.713 488 K HN 0.112 nan 8.250 nan 0.000 0.442 489 L N 0.620 121.865 121.223 0.038 0.000 1.994 489 L HA -0.174 4.163 4.340 -0.006 0.000 0.208 489 L C 2.085 179.025 176.870 0.116 0.000 1.071 489 L CA 1.171 56.053 54.840 0.071 0.000 0.745 489 L CB -0.196 41.891 42.059 0.047 0.000 0.892 489 L HN 0.010 nan 8.230 nan 0.000 0.431 490 V N -0.011 119.958 119.914 0.091 0.000 2.343 490 V HA -0.324 3.792 4.120 -0.006 0.000 0.247 490 V C 2.489 178.637 176.094 0.090 0.000 1.051 490 V CA 2.090 64.445 62.300 0.093 0.000 1.036 490 V CB -0.697 31.168 31.823 0.070 0.000 0.654 490 V HN 0.555 nan 8.190 nan 0.000 0.451 491 Q N -0.197 119.646 119.800 0.071 0.000 2.124 491 Q HA -0.180 4.156 4.340 -0.006 0.000 0.202 491 Q C 2.412 178.454 176.000 0.070 0.000 0.977 491 Q CA 1.799 57.638 55.803 0.061 0.000 0.850 491 Q CB -0.418 28.346 28.738 0.045 0.000 0.901 491 Q HN 0.690 nan 8.270 nan 0.000 0.429 492 A N 0.739 123.611 122.820 0.086 0.000 1.898 492 A HA -0.138 4.178 4.320 -0.006 0.000 0.216 492 A C 2.053 179.709 177.584 0.120 0.000 1.181 492 A CA 0.971 53.065 52.037 0.095 0.000 0.620 492 A CB -0.610 18.464 19.000 0.123 0.000 0.819 492 A HN 0.279 nan 8.150 nan 0.000 0.442 493 L N -0.982 120.341 121.223 0.166 0.000 2.017 493 L HA -0.161 4.175 4.340 -0.006 0.000 0.208 493 L C 2.666 179.679 176.870 0.240 0.000 1.073 493 L CA 1.028 56.010 54.840 0.237 0.000 0.745 493 L CB -0.433 41.742 42.059 0.193 0.000 0.894 493 L HN 0.271 nan 8.230 nan 0.000 0.432 494 R N 0.306 120.895 120.500 0.148 0.000 2.293 494 R HA -0.140 4.197 4.340 -0.006 0.000 0.219 494 R C 1.865 178.191 176.300 0.044 0.000 1.091 494 R CA 0.740 56.904 56.100 0.106 0.000 1.004 494 R CB -0.389 29.959 30.300 0.080 0.000 0.865 494 R HN 0.546 nan 8.270 nan 0.000 0.469 495 E N 0.034 120.249 120.200 0.025 0.000 2.150 495 E HA -0.153 4.193 4.350 -0.006 0.000 0.193 495 E C 1.515 178.050 176.600 -0.110 0.000 0.985 495 E CA 0.867 57.250 56.400 -0.029 0.000 0.814 495 E CB 0.249 29.935 29.700 -0.023 0.000 0.752 495 E HN 0.226 nan 8.360 nan 0.000 0.466 496 Q N -1.235 118.449 119.800 -0.194 0.000 2.322 496 Q HA 0.134 4.470 4.340 -0.006 0.000 0.250 496 Q C -0.381 175.171 176.000 -0.746 0.000 0.853 496 Q CA 0.279 55.773 55.803 -0.515 0.000 0.951 496 Q CB 0.904 29.177 28.738 -0.776 0.000 1.114 496 Q HN 0.118 nan 8.270 nan 0.000 0.523 497 F N 2.207 122.148 119.950 -0.016 0.000 2.434 497 F HA 0.418 4.941 4.527 -0.006 0.000 0.355 497 F C -2.120 173.693 175.800 0.021 0.000 1.115 497 F CA -2.626 55.376 58.000 0.003 0.000 1.010 497 F CB 1.309 40.313 39.000 0.007 0.000 1.234 497 F HN -0.183 nan 8.300 nan 0.000 0.439 498 P HA 0.140 nan 4.420 nan 0.000 0.272 498 P C -2.361 175.010 177.300 0.119 0.000 1.230 498 P CA -0.987 62.166 63.100 0.089 0.000 0.788 498 P CB 0.000 31.727 31.700 0.044 0.000 0.949 499 P HA 0.057 nan 4.420 nan 0.000 0.272 499 P C -0.656 176.695 177.300 0.084 0.000 1.240 499 P CA -0.141 63.025 63.100 0.110 0.000 0.791 499 P CB 0.480 32.230 31.700 0.083 0.000 0.978 500 L N 1.733 123.008 121.223 0.087 0.000 2.358 500 L HA 0.165 4.501 4.340 -0.006 0.000 0.274 500 L C 1.286 178.160 176.870 0.007 0.000 1.136 500 L CA 0.399 55.234 54.840 -0.008 0.000 0.970 500 L CB -0.768 41.190 42.059 -0.167 0.000 1.314 500 L HN 0.303 nan 8.230 nan 0.000 0.427 501 E N 0.928 121.135 120.200 0.012 0.000 2.216 501 E HA 0.011 4.357 4.350 -0.006 0.000 0.192 501 E C 0.227 176.836 176.600 0.016 0.000 0.988 501 E CA 0.573 56.984 56.400 0.019 0.000 0.834 501 E CB 0.391 30.102 29.700 0.019 0.000 0.772 501 E HN 0.588 nan 8.360 nan 0.000 0.479 502 T N -0.042 114.510 114.554 -0.003 0.000 2.853 502 T HA 0.113 4.460 4.350 -0.006 0.000 0.311 502 T C -1.793 172.884 174.700 -0.038 0.000 1.307 502 T CA -1.004 61.094 62.100 -0.004 0.000 1.019 502 T CB 1.354 70.222 68.868 -0.001 0.000 1.264 502 T HN -0.231 nan 8.240 nan 0.000 0.497 503 D N 2.718 123.094 120.400 -0.041 0.000 2.488 503 D HA 0.337 4.973 4.640 -0.006 0.000 0.238 503 D C 0.577 176.836 176.300 -0.067 0.000 1.138 503 D CA 0.664 54.620 54.000 -0.074 0.000 0.873 503 D CB 0.366 41.129 40.800 -0.060 0.000 1.183 503 D HN 0.666 nan 8.370 nan 0.000 0.458 504 R N 0.561 121.009 120.500 -0.088 0.000 2.692 504 R HA 0.607 4.944 4.340 -0.006 0.000 0.269 504 R C -3.139 173.125 176.300 -0.061 0.000 1.030 504 R CA -1.671 54.393 56.100 -0.060 0.000 0.882 504 R CB 0.341 30.614 30.300 -0.045 0.000 1.250 504 R HN 0.003 nan 8.270 nan 0.000 0.465 505 P HA 0.134 nan 4.420 nan 0.000 0.267 505 P C -0.304 176.988 177.300 -0.013 0.000 1.205 505 P CA -0.242 62.843 63.100 -0.024 0.000 0.765 505 P CB 0.590 32.283 31.700 -0.013 0.000 0.828 506 L N 1.605 122.823 121.223 -0.009 0.000 2.731 506 L HA 0.184 4.520 4.340 -0.006 0.000 0.240 506 L C 2.268 179.158 176.870 0.033 0.000 1.120 506 L CA 0.330 55.181 54.840 0.018 0.000 0.913 506 L CB -0.227 41.842 42.059 0.018 0.000 1.213 506 L HN 0.534 nan 8.230 nan 0.000 0.515 507 G N 0.171 108.983 108.800 0.021 0.000 2.529 507 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.219 507 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.219 507 G C 1.395 176.313 174.900 0.031 0.000 1.177 507 G CA 0.750 45.863 45.100 0.022 0.000 0.773 507 G HN 0.363 nan 8.290 nan 0.000 0.573 508 Q N -0.164 119.659 119.800 0.038 0.000 2.119 508 Q HA -0.074 4.262 4.340 -0.006 0.000 0.201 508 Q C 2.554 178.609 176.000 0.093 0.000 0.972 508 Q CA 1.298 57.132 55.803 0.052 0.000 0.847 508 Q CB -0.100 28.664 28.738 0.043 0.000 0.903 508 Q HN 0.623 nan 8.270 nan 0.000 0.433 509 E N 0.466 120.741 120.200 0.126 0.000 2.106 509 E HA -0.159 4.187 4.350 -0.006 0.000 0.192 509 E C 1.945 178.583 176.600 0.064 0.000 0.984 509 E CA 0.764 57.309 56.400 0.242 0.000 0.806 509 E CB -0.027 29.844 29.700 0.286 0.000 0.750 509 E HN 0.338 nan 8.360 nan 0.000 0.458 510 I N 1.121 121.692 120.570 0.001 0.000 2.142 510 I HA -0.301 3.866 4.170 -0.006 0.000 0.240 510 I C 2.561 178.646 176.117 -0.052 0.000 1.078 510 I CA 1.104 62.366 61.300 -0.063 0.000 1.343 510 I CB -0.330 37.657 38.000 -0.021 0.000 1.046 510 I HN 0.095 nan 8.210 nan 0.000 0.405 511 A N 0.659 123.479 122.820 -0.001 0.000 1.908 511 A HA -0.205 4.111 4.320 -0.006 0.000 0.218 511 A C 2.525 180.123 177.584 0.023 0.000 1.181 511 A CA 2.040 54.081 52.037 0.007 0.000 0.627 511 A CB -0.925 18.088 19.000 0.022 0.000 0.818 511 A HN 0.456 nan 8.150 nan 0.000 0.445 512 A N -0.681 122.183 122.820 0.074 0.000 1.902 512 A HA -0.020 4.296 4.320 -0.006 0.000 0.217 512 A C 2.136 179.804 177.584 0.140 0.000 1.181 512 A CA 1.742 53.859 52.037 0.134 0.000 0.623 512 A CB -0.607 18.529 19.000 0.226 0.000 0.818 512 A HN 0.700 nan 8.150 nan 0.000 0.443 513 L N -0.294 120.950 121.223 0.035 0.000 2.093 513 L HA 0.007 4.343 4.340 -0.006 0.000 0.208 513 L C 2.632 179.405 176.870 -0.162 0.000 1.085 513 L CA 1.993 56.738 54.840 -0.159 0.000 0.755 513 L CB -0.801 40.875 42.059 -0.639 0.000 0.904 513 L HN 0.342 nan 8.230 nan 0.000 0.435 514 A N -1.471 121.260 122.820 -0.148 0.000 1.908 514 A HA -0.226 4.090 4.320 -0.006 0.000 0.218 514 A C 2.275 179.797 177.584 -0.104 0.000 1.181 514 A CA 2.352 54.296 52.037 -0.155 0.000 0.627 514 A CB -1.253 17.688 19.000 -0.098 0.000 0.818 514 A HN 0.491 nan 8.150 nan 0.000 0.445 515 T N -1.404 113.133 114.554 -0.028 0.000 2.759 515 T HA -0.184 4.162 4.350 -0.006 0.000 0.269 515 T C 1.851 176.557 174.700 0.009 0.000 1.042 515 T CA 1.981 64.085 62.100 0.006 0.000 1.140 515 T CB -0.395 68.498 68.868 0.041 0.000 0.864 515 T HN 0.812 nan 8.240 nan 0.000 0.455 516 H N 0.980 120.007 119.070 -0.072 0.000 2.326 516 H HA 0.122 4.674 4.556 -0.006 0.000 0.301 516 H C 2.027 177.278 175.328 -0.129 0.000 1.081 516 H CA 1.195 57.204 56.048 -0.065 0.000 1.334 516 H CB -0.471 29.277 29.762 -0.024 0.000 1.385 516 H HN 0.238 nan 8.280 nan 0.000 0.504 517 L N 0.012 121.040 121.223 -0.324 0.000 2.079 517 L HA -0.183 4.153 4.340 -0.006 0.000 0.210 517 L C 2.342 179.052 176.870 -0.267 0.000 1.081 517 L CA 1.063 55.573 54.840 -0.550 0.000 0.752 517 L CB -0.514 41.033 42.059 -0.852 0.000 0.896 517 L HN 0.341 nan 8.230 nan 0.000 0.433 518 L N -0.826 120.280 121.223 -0.196 0.000 2.275 518 L HA -0.177 4.159 4.340 -0.006 0.000 0.215 518 L C 2.282 179.112 176.870 -0.067 0.000 1.119 518 L CA 1.048 55.839 54.840 -0.083 0.000 0.790 518 L CB -0.240 41.803 42.059 -0.027 0.000 0.919 518 L HN 0.384 nan 8.230 nan 0.000 0.443 519 Q N -1.516 118.152 119.800 -0.220 0.000 2.316 519 Q HA 0.176 4.512 4.340 -0.006 0.000 0.235 519 Q C 0.058 175.596 176.000 -0.770 0.000 0.863 519 Q CA 0.113 55.741 55.803 -0.291 0.000 0.939 519 Q CB 0.987 29.667 28.738 -0.096 0.000 1.108 519 Q HN 0.455 nan 8.270 nan 0.000 0.522 520 Q N -0.334 118.989 119.800 -0.794 0.000 2.421 520 Q HA 0.480 4.816 4.340 -0.006 0.000 0.280 520 Q C -1.274 174.587 176.000 -0.231 0.000 1.085 520 Q CA -0.448 54.968 55.803 -0.643 0.000 0.807 520 Q CB 2.723 31.222 28.738 -0.399 0.000 1.405 520 Q HN -0.073 nan 8.270 nan 0.000 0.419 521 S N 1.802 117.446 115.700 -0.094 0.000 2.638 521 S HA 0.537 5.003 4.470 -0.006 0.000 0.298 521 S C -2.414 171.965 174.600 -0.369 0.000 1.111 521 S CA -1.184 56.906 58.200 -0.183 0.000 1.027 521 S CB 1.096 64.250 63.200 -0.078 0.000 1.064 521 S HN 0.428 nan 8.310 nan 0.000 0.525 522 P HA 0.196 nan 4.420 nan 0.000 0.247 522 P C -0.397 176.697 177.300 -0.343 0.000 1.756 522 P CA -0.142 62.551 63.100 -0.678 0.000 1.117 522 P CB -0.320 30.675 31.700 -1.175 0.000 1.869 523 V N 0.000 119.804 119.914 -0.184 0.000 2.409 523 V HA 0.000 4.116 4.120 -0.006 0.000 0.244 523 V CA 0.000 62.231 62.300 -0.114 0.000 1.235 523 V CB 0.000 31.775 31.823 -0.079 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556