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_F DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 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 0.132 nan 4.420 nan 0.000 0.266 9 P C -1.234 176.075 177.300 0.015 0.000 1.193 9 P CA -0.130 62.981 63.100 0.019 0.000 0.770 9 P CB 0.555 32.270 31.700 0.024 0.000 0.836 10 A N 2.164 124.991 122.820 0.012 0.000 2.342 10 A HA 0.556 4.876 4.320 0.000 0.000 0.323 10 A C -0.863 176.724 177.584 0.006 0.000 1.125 10 A CA -0.597 51.444 52.037 0.007 0.000 0.785 10 A CB 1.150 20.154 19.000 0.005 0.000 1.221 10 A HN 0.349 nan 8.150 nan 0.000 0.463 11 V N 2.483 122.398 119.914 0.001 0.000 2.347 11 V HA 0.281 4.401 4.120 0.000 0.000 0.280 11 V C 0.206 176.298 176.094 -0.005 0.000 1.021 11 V CA -0.356 61.943 62.300 -0.001 0.000 0.847 11 V CB 1.237 33.055 31.823 -0.009 0.000 0.990 11 V HN 0.974 nan 8.190 nan 0.000 0.444 12 E N 4.511 124.711 120.200 -0.000 0.000 2.130 12 E HA 0.363 4.713 4.350 0.000 0.000 0.284 12 E C -0.956 175.643 176.600 -0.002 0.000 1.018 12 E CA -0.779 55.620 56.400 -0.001 0.000 0.817 12 E CB 1.301 31.004 29.700 0.004 0.000 1.078 12 E HN 0.553 nan 8.360 nan 0.000 0.396 13 L N 5.640 126.858 121.223 -0.008 0.000 2.261 13 L HA 0.275 4.615 4.340 0.000 0.000 0.289 13 L C -0.222 176.646 176.870 -0.004 0.000 1.059 13 L CA 0.415 55.248 54.840 -0.012 0.000 0.816 13 L CB 1.114 43.160 42.059 -0.022 0.000 1.191 13 L HN 0.713 nan 8.230 nan 0.000 0.431 14 D N 2.944 123.347 120.400 0.005 0.000 3.094 14 D HA 0.174 4.814 4.640 0.000 0.000 0.267 14 D C 1.361 177.669 176.300 0.014 0.000 1.542 14 D CA 0.925 54.931 54.000 0.010 0.000 1.157 14 D CB 0.699 41.509 40.800 0.017 0.000 1.098 14 D HN 0.592 nan 8.370 nan 0.000 0.340 15 R N -1.891 118.629 120.500 0.032 0.000 2.428 15 R HA 0.228 4.568 4.340 0.000 0.000 0.193 15 R C 0.133 176.477 176.300 0.073 0.000 0.852 15 R CA -0.210 55.916 56.100 0.044 0.000 1.055 15 R CB 0.682 31.012 30.300 0.049 0.000 1.343 15 R HN 0.180 nan 8.270 nan 0.000 0.655 16 H N 0.361 119.423 119.070 -0.012 0.000 2.524 16 H HA 0.584 5.140 4.556 0.000 0.000 0.353 16 H C -1.427 173.895 175.328 -0.011 0.000 1.136 16 H CA -0.710 55.330 56.048 -0.014 0.000 1.193 16 H CB 1.561 31.315 29.762 -0.013 0.000 1.558 16 H HN 0.019 nan 8.280 nan 0.000 0.515 17 I N 4.190 124.420 120.570 -0.567 0.000 2.619 17 I HA 0.268 4.438 4.170 0.000 0.000 0.292 17 I C -1.219 174.623 176.117 -0.457 0.000 1.100 17 I CA -0.865 60.243 61.300 -0.320 0.000 1.043 17 I CB 1.615 39.507 38.000 -0.181 0.000 1.239 17 I HN 0.854 nan 8.210 nan 0.000 0.420 18 D N 5.948 126.251 120.400 -0.162 0.000 2.432 18 D HA 0.239 4.880 4.640 0.000 0.000 0.258 18 D C 0.984 177.260 176.300 -0.041 0.000 1.146 18 D CA -0.588 53.375 54.000 -0.061 0.000 1.015 18 D CB 0.970 41.810 40.800 0.067 0.000 1.107 18 D HN 0.504 nan 8.370 nan 0.000 0.529 19 L N -0.425 120.798 121.223 -0.001 0.000 2.079 19 L HA -0.143 4.197 4.340 0.000 0.000 0.210 19 L C 1.464 178.374 176.870 0.066 0.000 1.081 19 L CA 1.390 56.247 54.840 0.028 0.000 0.752 19 L CB -0.481 41.605 42.059 0.045 0.000 0.896 19 L HN 0.437 nan 8.230 nan 0.000 0.433 20 D N -0.230 120.210 120.400 0.067 0.000 2.117 20 D HA -0.168 4.472 4.640 0.000 0.000 0.198 20 D C 2.329 178.675 176.300 0.076 0.000 0.982 20 D CA 1.048 55.105 54.000 0.094 0.000 0.828 20 D CB -0.116 40.730 40.800 0.077 0.000 0.967 20 D HN 0.402 nan 8.370 nan 0.000 0.464 21 Q N 0.349 120.173 119.800 0.039 0.000 2.084 21 Q HA -0.058 4.282 4.340 0.000 0.000 0.202 21 Q C 2.207 178.207 176.000 -0.001 0.000 0.978 21 Q CA 1.355 57.168 55.803 0.017 0.000 0.844 21 Q CB -0.089 28.648 28.738 -0.001 0.000 0.898 21 Q HN 0.206 nan 8.270 nan 0.000 0.426 22 A N 0.781 123.597 122.820 -0.008 0.000 1.902 22 A HA -0.230 4.090 4.320 0.000 0.000 0.217 22 A C 1.951 179.514 177.584 -0.034 0.000 1.181 22 A CA 1.549 53.567 52.037 -0.031 0.000 0.623 22 A CB -0.787 18.192 19.000 -0.034 0.000 0.818 22 A HN 0.441 nan 8.150 nan 0.000 0.443 23 H N 0.010 119.032 119.070 -0.081 0.000 2.423 23 H HA 0.034 4.591 4.556 0.000 0.000 0.297 23 H C 2.219 177.465 175.328 -0.137 0.000 1.075 23 H CA 1.415 57.378 56.048 -0.142 0.000 1.342 23 H CB -0.137 29.462 29.762 -0.272 0.000 1.395 23 H HN 0.404 nan 8.280 nan 0.000 0.530 24 A N 0.472 123.286 122.820 -0.009 0.000 1.902 24 A HA -0.100 4.220 4.320 0.000 0.000 0.217 24 A C 2.817 180.362 177.584 -0.064 0.000 1.181 24 A CA 1.609 53.643 52.037 -0.005 0.000 0.623 24 A CB -0.804 18.217 19.000 0.036 0.000 0.818 24 A HN 0.290 nan 8.150 nan 0.000 0.443 25 V N -0.353 119.512 119.914 -0.081 0.000 2.323 25 V HA -0.163 3.957 4.120 0.000 0.000 0.244 25 V C 3.049 179.048 176.094 -0.157 0.000 1.041 25 V CA 1.744 63.990 62.300 -0.090 0.000 1.025 25 V CB -1.206 30.569 31.823 -0.080 0.000 0.656 25 V HN 0.594 nan 8.190 nan 0.000 0.451 26 A N 0.873 123.558 122.820 -0.224 0.000 1.940 26 A HA -0.197 4.123 4.320 0.000 0.000 0.219 26 A C 2.376 179.745 177.584 -0.358 0.000 1.176 26 A CA 2.238 54.087 52.037 -0.313 0.000 0.631 26 A CB -0.661 18.159 19.000 -0.301 0.000 0.814 26 A HN 0.691 nan 8.150 nan 0.000 0.446 27 S N -2.050 113.464 115.700 -0.310 0.000 2.603 27 S HA 0.374 4.844 4.470 0.000 0.000 0.220 27 S C 1.422 176.162 174.600 0.234 0.000 0.967 27 S CA 1.014 59.191 58.200 -0.038 0.000 0.920 27 S CB -0.286 62.789 63.200 -0.207 0.000 0.773 27 S HN 1.918 nan 8.310 nan 0.000 0.529 28 G N 0.515 109.375 108.800 0.099 0.000 2.184 28 G HA2 -0.241 3.719 3.960 0.000 0.000 0.264 28 G HA3 -0.241 3.719 3.960 0.000 0.000 0.264 28 G C 0.910 175.879 174.900 0.115 0.000 0.975 28 G CA 0.168 45.381 45.100 0.189 0.000 0.642 28 G HN 0.949 nan 8.290 nan 0.000 0.536 29 G N -0.174 108.670 108.800 0.073 0.000 2.484 29 G HA2 0.496 4.456 3.960 0.000 0.000 0.218 29 G HA3 0.496 4.456 3.960 0.000 0.000 0.218 29 G C 0.725 175.652 174.900 0.044 0.000 1.130 29 G CA 1.817 46.954 45.100 0.062 0.000 0.784 29 G HN 1.819 nan 8.290 nan 0.000 0.543 30 A N -0.234 122.603 122.820 0.027 0.000 2.454 30 A HA 0.755 5.075 4.320 0.000 0.000 0.302 30 A C 0.021 177.610 177.584 0.008 0.000 1.079 30 A CA -0.915 51.133 52.037 0.018 0.000 0.731 30 A CB 1.279 20.287 19.000 0.012 0.000 1.299 30 A HN 0.412 nan 8.150 nan 0.000 0.413 31 R N 1.084 121.588 120.500 0.007 0.000 2.549 31 R HA 0.812 5.152 4.340 0.000 0.000 0.267 31 R C -0.887 175.408 176.300 -0.008 0.000 1.045 31 R CA -0.529 55.571 56.100 0.001 0.000 1.115 31 R CB 1.065 31.369 30.300 0.006 0.000 1.121 31 R HN 0.631 nan 8.270 nan 0.000 0.543 32 I N 1.634 122.196 120.570 -0.014 0.000 2.569 32 I HA 0.423 4.593 4.170 0.000 0.000 0.296 32 I C -1.022 175.087 176.117 -0.014 0.000 1.028 32 I CA -1.207 60.083 61.300 -0.018 0.000 1.082 32 I CB 2.153 40.135 38.000 -0.030 0.000 1.264 32 I HN 0.646 nan 8.210 nan 0.000 0.429 33 V N 5.080 124.987 119.914 -0.012 0.000 2.789 33 V HA 0.561 4.681 4.120 0.000 0.000 0.311 33 V C -1.160 174.927 176.094 -0.011 0.000 1.073 33 V CA -0.897 61.397 62.300 -0.010 0.000 0.921 33 V CB 1.717 33.537 31.823 -0.005 0.000 1.009 33 V HN 0.661 nan 8.190 nan 0.000 0.426 34 L N 4.679 125.896 121.223 -0.011 0.000 2.278 34 L HA 0.810 5.150 4.340 0.000 0.000 0.287 34 L C 0.822 177.688 176.870 -0.007 0.000 1.072 34 L CA 0.339 55.173 54.840 -0.011 0.000 0.819 34 L CB 0.568 42.618 42.059 -0.013 0.000 1.176 34 L HN 1.144 nan 8.230 nan 0.000 0.435 35 A N 6.887 129.704 122.820 -0.005 0.000 2.445 35 A HA 0.372 4.692 4.320 0.000 0.000 0.242 35 A C -1.586 175.996 177.584 -0.003 0.000 1.075 35 A CA -0.766 51.270 52.037 -0.002 0.000 0.777 35 A CB -0.329 18.672 19.000 0.001 0.000 1.013 35 A HN 0.788 nan 8.150 nan 0.000 0.493 36 P HA -0.151 nan 4.420 nan 0.000 0.216 36 P C -1.456 175.842 177.300 -0.003 0.000 1.157 36 P CA 1.850 64.948 63.100 -0.003 0.000 0.880 36 P CB -0.753 30.945 31.700 -0.002 0.000 0.791 37 P HA -0.146 nan 4.420 nan 0.000 0.216 37 P C 1.407 178.707 177.300 -0.001 0.000 1.150 37 P CA 1.947 65.047 63.100 0.000 0.000 0.837 37 P CB -0.599 31.103 31.700 0.003 0.000 0.786 38 A N -0.202 122.617 122.820 -0.001 0.000 1.873 38 A HA -0.194 4.126 4.320 0.000 0.000 0.215 38 A C 2.407 179.986 177.584 -0.007 0.000 1.186 38 A CA 1.519 53.554 52.037 -0.003 0.000 0.616 38 A CB -1.166 17.831 19.000 -0.005 0.000 0.823 38 A HN 0.011 nan 8.150 nan 0.000 0.442 39 R N -0.338 120.156 120.500 -0.009 0.000 2.091 39 R HA -0.175 4.165 4.340 0.000 0.000 0.238 39 R C 1.349 177.640 176.300 -0.014 0.000 1.136 39 R CA 1.939 58.031 56.100 -0.014 0.000 0.959 39 R CB -0.310 29.982 30.300 -0.013 0.000 0.856 39 R HN 0.460 nan 8.270 nan 0.000 0.437 40 D N 0.021 120.415 120.400 -0.010 0.000 2.117 40 D HA -0.164 4.476 4.640 0.000 0.000 0.198 40 D C 1.980 178.275 176.300 -0.009 0.000 0.982 40 D CA 1.457 55.451 54.000 -0.010 0.000 0.828 40 D CB -0.188 40.609 40.800 -0.006 0.000 0.967 40 D HN 0.463 nan 8.370 nan 0.000 0.464 41 R N 0.288 120.785 120.500 -0.005 0.000 2.148 41 R HA 0.018 4.358 4.340 0.000 0.000 0.223 41 R C 2.016 178.314 176.300 -0.004 0.000 1.088 41 R CA 1.008 57.107 56.100 -0.001 0.000 0.985 41 R CB -0.799 29.503 30.300 0.004 0.000 0.880 41 R HN 0.078 nan 8.270 nan 0.000 0.451 42 C N 0.776 120.070 119.300 -0.010 0.000 2.457 42 C HA 0.166 4.626 4.460 0.000 0.000 0.278 42 C C 2.607 177.579 174.990 -0.031 0.000 1.309 42 C CA 0.352 59.361 59.018 -0.016 0.000 1.735 42 C CB -0.768 26.960 27.740 -0.020 0.000 1.992 42 C HN 0.528 nan 8.230 nan 0.000 0.493 43 R N 1.074 121.555 120.500 -0.032 0.000 2.096 43 R HA -0.086 4.254 4.340 0.000 0.000 0.235 43 R C 2.373 178.650 176.300 -0.038 0.000 1.127 43 R CA 1.549 57.625 56.100 -0.041 0.000 0.968 43 R CB -0.406 29.874 30.300 -0.032 0.000 0.861 43 R HN 0.536 nan 8.270 nan 0.000 0.440 44 A N 0.152 122.957 122.820 -0.025 0.000 1.902 44 A HA -0.171 4.149 4.320 0.000 0.000 0.217 44 A C 2.166 179.733 177.584 -0.027 0.000 1.181 44 A CA 1.791 53.816 52.037 -0.020 0.000 0.623 44 A CB -0.575 18.421 19.000 -0.007 0.000 0.818 44 A HN 0.291 nan 8.150 nan 0.000 0.443 45 S N -0.823 114.863 115.700 -0.023 0.000 2.383 45 S HA -0.192 4.278 4.470 0.000 0.000 0.227 45 S C 2.016 176.561 174.600 -0.091 0.000 1.026 45 S CA 1.569 59.752 58.200 -0.027 0.000 0.981 45 S CB -0.322 62.886 63.200 0.013 0.000 0.818 45 S HN 0.679 nan 8.310 nan 0.000 0.472 46 E N 0.333 120.481 120.200 -0.087 0.000 2.077 46 E HA -0.126 4.224 4.350 0.000 0.000 0.193 46 E C 2.067 178.599 176.600 -0.113 0.000 0.989 46 E CA 1.066 57.396 56.400 -0.118 0.000 0.800 46 E CB -0.347 29.281 29.700 -0.120 0.000 0.746 46 E HN 0.599 nan 8.360 nan 0.000 0.452 47 A N 1.163 123.934 122.820 -0.081 0.000 1.930 47 A HA -0.136 4.184 4.320 0.000 0.000 0.217 47 A C 2.131 179.667 177.584 -0.080 0.000 1.175 47 A CA 1.162 53.161 52.037 -0.063 0.000 0.627 47 A CB -0.367 18.610 19.000 -0.039 0.000 0.815 47 A HN 0.167 nan 8.150 nan 0.000 0.443 48 R N -1.185 119.256 120.500 -0.099 0.000 2.092 48 R HA -0.083 4.257 4.340 0.000 0.000 0.231 48 R C 2.070 178.229 176.300 -0.234 0.000 1.119 48 R CA 1.333 57.365 56.100 -0.114 0.000 0.970 48 R CB -0.501 29.757 30.300 -0.069 0.000 0.864 48 R HN 0.498 nan 8.270 nan 0.000 0.440 49 L N 0.455 121.457 121.223 -0.368 0.000 2.056 49 L HA 0.002 4.342 4.340 0.000 0.000 0.207 49 L C 2.104 178.833 176.870 -0.234 0.000 1.078 49 L CA 2.032 56.564 54.840 -0.513 0.000 0.749 49 L CB -0.960 40.800 42.059 -0.499 0.000 0.901 49 L HN 0.145 nan 8.230 nan 0.000 0.433 50 G N -1.017 107.701 108.800 -0.136 0.000 2.422 50 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 50 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 50 G C 1.570 176.442 174.900 -0.047 0.000 1.146 50 G CA 0.794 45.858 45.100 -0.060 0.000 0.769 50 G HN 0.638 nan 8.290 nan 0.000 0.547 51 A N 0.006 122.793 122.820 -0.055 0.000 1.929 51 A HA 0.172 4.492 4.320 0.000 0.000 0.216 51 A C 2.566 180.143 177.584 -0.012 0.000 1.176 51 A CA 1.537 53.558 52.037 -0.025 0.000 0.628 51 A CB -0.488 18.501 19.000 -0.019 0.000 0.816 51 A HN 0.228 nan 8.150 nan 0.000 0.444 52 V N 0.289 120.184 119.914 -0.031 0.000 2.407 52 V HA -0.262 3.858 4.120 0.000 0.000 0.248 52 V C 2.395 178.509 176.094 0.033 0.000 1.055 52 V CA 2.020 64.333 62.300 0.022 0.000 1.049 52 V CB -0.594 31.248 31.823 0.031 0.000 0.662 52 V HN 0.569 nan 8.190 nan 0.000 0.455 53 I N -0.451 120.119 120.570 0.001 0.000 2.193 53 I HA -0.214 3.956 4.170 0.000 0.000 0.240 53 I C 2.724 178.850 176.117 0.015 0.000 1.084 53 I CA 1.627 62.935 61.300 0.015 0.000 1.365 53 I CB -0.486 37.514 38.000 -0.000 0.000 1.064 53 I HN 0.198 nan 8.210 nan 0.000 0.410 54 R N 1.423 121.926 120.500 0.005 0.000 2.117 54 R HA -0.212 4.129 4.340 0.000 0.000 0.243 54 R C 1.730 178.038 176.300 0.013 0.000 1.143 54 R CA 1.810 57.914 56.100 0.006 0.000 0.968 54 R CB -0.105 30.196 30.300 0.001 0.000 0.863 54 R HN 0.446 nan 8.270 nan 0.000 0.444 55 E N -0.620 119.593 120.200 0.021 0.000 2.489 55 E HA 0.083 4.434 4.350 0.000 0.000 0.193 55 E C 0.381 177.003 176.600 0.037 0.000 1.057 55 E CA 0.403 56.820 56.400 0.028 0.000 0.866 55 E CB 0.424 30.145 29.700 0.035 0.000 0.916 55 E HN 0.464 nan 8.360 nan 0.000 0.500 56 A N 2.066 124.910 122.820 0.040 0.000 2.822 56 A HA -0.219 4.101 4.320 0.000 0.000 0.287 56 A C 0.057 177.684 177.584 0.071 0.000 1.479 56 A CA 0.521 52.585 52.037 0.045 0.000 0.779 56 A CB -1.388 17.628 19.000 0.026 0.000 1.022 56 A HN 0.128 nan 8.150 nan 0.000 0.532 57 R N 0.200 120.758 120.500 0.097 0.000 2.643 57 R HA 0.106 4.446 4.340 0.000 0.000 0.270 57 R C 0.544 176.960 176.300 0.194 0.000 1.061 57 R CA -0.069 56.112 56.100 0.136 0.000 1.107 57 R CB 0.085 30.475 30.300 0.150 0.000 0.999 57 R HN 0.719 nan 8.270 nan 0.000 0.460 58 H N 1.897 121.009 119.070 0.070 0.000 3.160 58 H HA 0.213 4.769 4.556 0.000 0.000 0.257 58 H C -0.925 174.473 175.328 0.117 0.000 1.140 58 H CA -0.366 55.716 56.048 0.056 0.000 1.492 58 H CB 0.205 29.974 29.762 0.010 0.000 1.529 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.507 126.605 119.914 0.306 0.000 2.686 59 V HA -0.003 4.117 4.120 0.000 0.000 0.306 59 V C -0.734 175.578 176.094 0.363 0.000 1.065 59 V CA -1.012 61.500 62.300 0.353 0.000 0.894 59 V CB 1.280 33.313 31.823 0.350 0.000 1.004 59 V HN 0.658 nan 8.190 nan 0.000 0.424 60 Y N 3.831 124.365 120.300 0.390 0.000 2.805 60 Y HA 0.345 4.896 4.550 0.000 0.000 0.331 60 Y C 1.379 177.376 175.900 0.161 0.000 1.241 60 Y CA 1.884 60.115 58.100 0.217 0.000 1.546 60 Y CB 0.497 39.130 38.460 0.289 0.000 1.248 60 Y HN 1.074 nan 8.280 nan 0.000 0.559 61 G N 4.059 112.592 108.800 -0.446 0.000 2.234 61 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 61 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 61 G C 0.610 175.494 174.900 -0.027 0.000 0.987 61 G CA 0.585 45.545 45.100 -0.232 0.000 0.625 61 G HN 0.673 nan 8.290 nan 0.000 0.532 62 L N -0.204 121.033 121.223 0.023 0.000 2.577 62 L HA 0.291 4.631 4.340 0.000 0.000 0.225 62 L C 2.151 179.037 176.870 0.025 0.000 1.053 62 L CA 1.521 56.400 54.840 0.065 0.000 0.866 62 L CB 0.488 42.631 42.059 0.140 0.000 1.132 62 L HN 0.436 nan 8.230 nan 0.000 0.486 63 T N -4.096 110.474 114.554 0.026 0.000 3.332 63 T HA 0.179 4.529 4.350 0.000 0.000 0.304 63 T C 0.270 174.953 174.700 -0.028 0.000 0.971 63 T CA 0.101 62.208 62.100 0.012 0.000 0.954 63 T CB 0.075 68.983 68.868 0.066 0.000 1.175 63 T HN 0.176 nan 8.240 nan 0.000 0.519 64 T N -1.680 112.804 114.554 -0.116 0.000 2.864 64 T HA 0.769 5.119 4.350 0.000 0.000 0.299 64 T C 0.573 175.000 174.700 -0.454 0.000 1.166 64 T CA -0.264 61.736 62.100 -0.165 0.000 1.007 64 T CB 1.473 70.341 68.868 0.001 0.000 1.219 64 T HN 0.293 nan 8.240 nan 0.000 0.506 65 G N 0.069 108.649 108.800 -0.366 0.000 2.570 65 G HA2 0.539 4.499 3.960 0.000 0.000 0.276 65 G HA3 0.539 4.499 3.960 0.000 0.000 0.276 65 G C -0.987 173.490 174.900 -0.705 0.000 1.346 65 G CA -0.737 44.061 45.100 -0.503 0.000 1.034 65 G HN 0.562 nan 8.290 nan 0.000 0.512 66 F N -0.848 119.073 119.950 -0.049 0.000 2.483 66 F HA 0.602 5.129 4.527 0.000 0.000 0.329 66 F C 1.202 177.116 175.800 0.190 0.000 1.064 66 F CA 0.404 58.436 58.000 0.053 0.000 0.986 66 F CB 1.331 40.407 39.000 0.128 0.000 1.218 66 F HN 1.019 nan 8.300 nan 0.000 0.484 67 G N 1.792 110.925 108.800 0.555 0.000 2.596 67 G HA2 -0.290 3.670 3.960 0.000 0.000 0.295 67 G HA3 -0.290 3.670 3.960 0.000 0.000 0.295 67 G C -1.899 173.123 174.900 0.203 0.000 1.240 67 G CA -0.050 45.229 45.100 0.298 0.000 0.985 67 G HN 0.519 nan 8.290 nan 0.000 0.555 68 P HA 0.158 nan 4.420 nan 0.000 0.230 68 P C 1.628 178.965 177.300 0.061 0.000 1.158 68 P CA 0.712 63.858 63.100 0.077 0.000 0.769 68 P CB -0.064 31.665 31.700 0.049 0.000 0.807 69 L N -1.581 119.679 121.223 0.061 0.000 2.612 69 L HA 0.206 4.546 4.340 0.000 0.000 0.230 69 L C 1.934 178.811 176.870 0.011 0.000 1.140 69 L CA 0.039 54.889 54.840 0.017 0.000 0.896 69 L CB -0.597 41.451 42.059 -0.018 0.000 1.065 69 L HN -0.051 nan 8.230 nan 0.000 0.447 70 A N 1.194 124.061 122.820 0.078 0.000 2.168 70 A HA -0.142 4.178 4.320 0.000 0.000 0.215 70 A C 1.932 179.563 177.584 0.078 0.000 1.152 70 A CA 1.157 53.254 52.037 0.099 0.000 0.716 70 A CB -0.469 18.699 19.000 0.280 0.000 0.794 70 A HN 0.632 nan 8.150 nan 0.000 0.465 71 N N -0.587 118.143 118.700 0.049 0.000 2.467 71 N HA -0.020 4.720 4.740 0.000 0.000 0.184 71 N C 0.023 175.527 175.510 -0.009 0.000 1.106 71 N CA 0.179 53.247 53.050 0.030 0.000 0.892 71 N CB -0.155 38.347 38.487 0.024 0.000 0.969 71 N HN 0.163 nan 8.380 nan 0.000 0.454 72 R N 1.071 121.557 120.500 -0.024 0.000 2.204 72 R HA 0.394 4.734 4.340 0.000 0.000 0.341 72 R C -0.164 176.094 176.300 -0.070 0.000 1.035 72 R CA -0.292 55.779 56.100 -0.048 0.000 0.887 72 R CB 0.691 30.959 30.300 -0.053 0.000 1.114 72 R HN 0.149 nan 8.270 nan 0.000 0.473 73 L N 3.810 124.986 121.223 -0.077 0.000 2.417 73 L HA 0.371 4.711 4.340 0.000 0.000 0.268 73 L C 0.185 177.007 176.870 -0.081 0.000 1.158 73 L CA -0.389 54.394 54.840 -0.094 0.000 0.819 73 L CB 0.538 42.521 42.059 -0.127 0.000 1.112 73 L HN 0.343 nan 8.230 nan 0.000 0.458 74 I N 1.164 121.687 120.570 -0.078 0.000 2.474 74 I HA 0.223 4.393 4.170 0.000 0.000 0.294 74 I C 0.290 176.381 176.117 -0.044 0.000 1.005 74 I CA -0.221 61.040 61.300 -0.065 0.000 1.113 74 I CB 1.720 39.670 38.000 -0.084 0.000 1.289 74 I HN 0.536 nan 8.210 nan 0.000 0.436 75 S N 3.052 118.732 115.700 -0.034 0.000 2.580 75 S HA 0.341 4.812 4.470 0.000 0.000 0.274 75 S C 1.463 176.054 174.600 -0.016 0.000 1.329 75 S CA 0.198 58.384 58.200 -0.023 0.000 1.036 75 S CB 1.261 64.449 63.200 -0.020 0.000 0.919 75 S HN 0.880 nan 8.310 nan 0.000 0.515 76 G N 2.767 111.561 108.800 -0.010 0.000 2.469 76 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 76 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 76 G C 1.243 176.139 174.900 -0.006 0.000 1.150 76 G CA 1.125 46.222 45.100 -0.005 0.000 0.763 76 G HN 0.897 nan 8.290 nan 0.000 0.561 77 E N 0.796 120.991 120.200 -0.008 0.000 2.472 77 E HA -0.060 4.290 4.350 0.000 0.000 0.200 77 E C 0.935 177.531 176.600 -0.005 0.000 1.046 77 E CA 0.614 57.009 56.400 -0.007 0.000 0.871 77 E CB -0.291 29.405 29.700 -0.007 0.000 0.806 77 E HN 0.378 nan 8.360 nan 0.000 0.533 78 N N 0.603 119.299 118.700 -0.006 0.000 2.203 78 N HA 0.066 4.806 4.740 0.000 0.000 0.207 78 N C 1.428 176.939 175.510 0.003 0.000 1.130 78 N CA 0.124 53.173 53.050 -0.002 0.000 0.861 78 N CB 0.994 39.478 38.487 -0.006 0.000 1.005 78 N HN 0.020 nan 8.380 nan 0.000 0.507 79 V N 1.018 120.933 119.914 0.002 0.000 2.427 79 V HA -0.154 3.966 4.120 0.000 0.000 0.248 79 V C 2.372 178.479 176.094 0.022 0.000 1.051 79 V CA 1.270 63.577 62.300 0.011 0.000 1.048 79 V CB -0.191 31.639 31.823 0.012 0.000 0.666 79 V HN 0.193 nan 8.190 nan 0.000 0.456 80 R N 0.455 120.960 120.500 0.009 0.000 2.083 80 R HA -0.125 4.215 4.340 0.000 0.000 0.237 80 R C 2.385 178.689 176.300 0.006 0.000 1.137 80 R CA 2.005 58.107 56.100 0.003 0.000 0.951 80 R CB -1.551 28.744 30.300 -0.008 0.000 0.851 80 R HN 0.518 nan 8.270 nan 0.000 0.434 81 T N 2.470 117.032 114.554 0.014 0.000 2.746 81 T HA -0.133 4.217 4.350 0.000 0.000 0.267 81 T C 1.905 176.634 174.700 0.048 0.000 1.039 81 T CA 1.197 63.311 62.100 0.023 0.000 1.142 81 T CB -0.340 68.545 68.868 0.028 0.000 0.866 81 T HN 0.089 nan 8.240 nan 0.000 0.444 82 L N 1.330 122.591 121.223 0.064 0.000 1.971 82 L HA -0.176 4.164 4.340 0.000 0.000 0.215 82 L C 2.461 179.455 176.870 0.206 0.000 1.072 82 L CA 1.879 56.797 54.840 0.131 0.000 0.758 82 L CB -0.699 41.403 42.059 0.072 0.000 0.889 82 L HN 0.260 nan 8.230 nan 0.000 0.433 83 Q N -0.900 118.981 119.800 0.135 0.000 2.224 83 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 83 Q C 2.188 178.154 176.000 -0.055 0.000 0.970 83 Q CA 1.241 57.093 55.803 0.082 0.000 0.865 83 Q CB -0.302 28.472 28.738 0.059 0.000 0.922 83 Q HN 0.720 nan 8.270 nan 0.000 0.445 84 A N 1.501 124.272 122.820 -0.082 0.000 1.929 84 A HA -0.157 4.163 4.320 0.000 0.000 0.216 84 A C 1.725 179.085 177.584 -0.373 0.000 1.176 84 A CA 1.198 53.090 52.037 -0.241 0.000 0.628 84 A CB -0.247 18.643 19.000 -0.183 0.000 0.816 84 A HN 0.257 nan 8.150 nan 0.000 0.444 85 N N -0.180 118.463 118.700 -0.096 0.000 2.331 85 N HA -0.095 4.645 4.740 0.000 0.000 0.180 85 N C 1.556 177.134 175.510 0.113 0.000 1.019 85 N CA 1.190 54.286 53.050 0.077 0.000 0.881 85 N CB -0.464 38.151 38.487 0.213 0.000 0.972 85 N HN 0.451 nan 8.380 nan 0.000 0.435 86 L N 0.935 122.145 121.223 -0.023 0.000 1.994 86 L HA -0.086 4.254 4.340 0.000 0.000 0.208 86 L C 1.939 178.400 176.870 -0.682 0.000 1.071 86 L CA 1.433 56.021 54.840 -0.420 0.000 0.745 86 L CB -0.704 41.007 42.059 -0.580 0.000 0.892 86 L HN -0.119 nan 8.230 nan 0.000 0.431 87 V N -0.318 119.331 119.914 -0.440 0.000 2.407 87 V HA -0.339 3.781 4.120 0.000 0.000 0.248 87 V C 2.379 178.289 176.094 -0.307 0.000 1.055 87 V CA 2.203 64.269 62.300 -0.390 0.000 1.049 87 V CB -0.994 30.646 31.823 -0.305 0.000 0.662 87 V HN 0.626 nan 8.190 nan 0.000 0.455 88 H N -0.359 118.570 119.070 -0.234 0.000 2.276 88 H HA -0.174 4.382 4.556 0.000 0.000 0.301 88 H C 2.234 177.476 175.328 -0.143 0.000 1.073 88 H CA 1.937 57.897 56.048 -0.148 0.000 1.311 88 H CB -0.278 29.468 29.762 -0.027 0.000 1.379 88 H HN 0.594 nan 8.280 nan 0.000 0.494 89 F N 0.783 120.764 119.950 0.051 0.000 2.365 89 F HA -0.043 4.484 4.527 0.000 0.000 0.300 89 F C 1.688 177.459 175.800 -0.048 0.000 1.090 89 F CA 0.806 58.805 58.000 -0.001 0.000 1.408 89 F CB -0.780 38.225 39.000 0.008 0.000 1.060 89 F HN 0.008 nan 8.300 nan 0.000 0.534 90 L N 0.706 121.459 121.223 -0.784 0.000 2.313 90 L HA 0.148 4.488 4.340 0.000 0.000 0.214 90 L C 1.931 178.624 176.870 -0.295 0.000 1.119 90 L CA 0.493 55.003 54.840 -0.550 0.000 0.809 90 L CB -0.765 40.884 42.059 -0.683 0.000 0.933 90 L HN 0.286 nan 8.230 nan 0.000 0.449 91 A N 0.102 122.714 122.820 -0.346 0.000 3.051 91 A HA 0.144 4.464 4.320 0.000 0.000 0.257 91 A C 1.186 178.714 177.584 -0.093 0.000 1.785 91 A CA 0.310 52.027 52.037 -0.533 0.000 1.420 91 A CB -0.664 17.942 19.000 -0.656 0.000 1.063 91 A HN 0.368 nan 8.150 nan 0.000 0.630 92 S N -0.402 115.349 115.700 0.086 0.000 2.601 92 S HA 0.388 4.858 4.470 0.000 0.000 0.244 92 S C 0.836 175.538 174.600 0.169 0.000 1.001 92 S CA 0.058 58.336 58.200 0.130 0.000 0.984 92 S CB 0.093 63.344 63.200 0.084 0.000 0.842 92 S HN 0.763 nan 8.310 nan 0.000 0.474 93 G N 1.474 110.476 108.800 0.336 0.000 2.527 93 G HA2 0.517 4.477 3.960 0.000 0.000 0.248 93 G HA3 0.517 4.477 3.960 0.000 0.000 0.248 93 G C -0.141 174.726 174.900 -0.056 0.000 1.231 93 G CA 0.029 45.166 45.100 0.061 0.000 0.838 93 G HN 0.992 nan 8.290 nan 0.000 0.570 94 V N -0.956 118.921 119.914 -0.061 0.000 3.167 94 V HA 1.033 5.153 4.120 0.000 0.000 0.310 94 V C 0.582 176.640 176.094 -0.061 0.000 1.207 94 V CA -0.169 62.097 62.300 -0.056 0.000 1.059 94 V CB 1.067 32.879 31.823 -0.019 0.000 1.079 94 V HN 2.526 nan 8.190 nan 0.000 0.446 95 G N 0.464 109.237 108.800 -0.046 0.000 2.707 95 G HA2 0.059 4.019 3.960 0.000 0.000 0.686 95 G HA3 0.059 4.019 3.960 0.000 0.000 0.686 95 G C -2.677 172.198 174.900 -0.042 0.000 1.315 95 G CA -0.314 44.765 45.100 -0.036 0.000 0.832 95 G HN 1.117 nan 8.290 nan 0.000 0.573 96 P HA 0.385 nan 4.420 nan 0.000 0.267 96 P C 0.894 178.176 177.300 -0.031 0.000 1.200 96 P CA 0.482 63.570 63.100 -0.020 0.000 0.772 96 P CB 0.699 32.397 31.700 -0.004 0.000 0.855 97 V N 1.303 121.200 119.914 -0.029 0.000 3.051 97 V HA 0.157 4.277 4.120 0.000 0.000 0.306 97 V C 0.701 176.789 176.094 -0.010 0.000 1.083 97 V CA -0.675 61.603 62.300 -0.036 0.000 1.104 97 V CB -0.498 31.309 31.823 -0.028 0.000 1.027 97 V HN 0.298 nan 8.190 nan 0.000 0.483 98 L N 2.564 123.777 121.223 -0.016 0.000 2.461 98 L HA 0.257 4.597 4.340 0.000 0.000 0.272 98 L C 0.655 177.545 176.870 0.034 0.000 1.197 98 L CA -0.214 54.629 54.840 0.004 0.000 0.836 98 L CB 0.189 42.240 42.059 -0.012 0.000 1.105 98 L HN 1.027 nan 8.230 nan 0.000 0.477 99 D N -0.035 120.401 120.400 0.061 0.000 2.361 99 D HA -0.119 4.521 4.640 0.000 0.000 0.239 99 D C 0.722 177.115 176.300 0.156 0.000 1.200 99 D CA -0.430 53.639 54.000 0.114 0.000 0.915 99 D CB 0.537 41.410 40.800 0.122 0.000 1.170 99 D HN 0.552 nan 8.370 nan 0.000 0.444 100 W N 1.206 122.510 121.300 0.007 0.000 2.290 100 W HA -0.299 4.361 4.660 0.000 0.000 0.323 100 W C 2.161 178.675 176.519 -0.008 0.000 1.260 100 W CA 2.671 60.020 57.345 0.006 0.000 1.266 100 W CB -0.768 28.698 29.460 0.010 0.000 1.149 100 W HN 0.443 nan 8.180 nan 0.000 0.482 101 T N -0.283 114.425 114.554 0.256 0.000 2.746 101 T HA -0.214 4.136 4.350 0.000 0.000 0.267 101 T C 1.566 176.199 174.700 -0.111 0.000 1.039 101 T CA 2.306 64.405 62.100 -0.002 0.000 1.142 101 T CB -0.911 68.042 68.868 0.141 0.000 0.866 101 T HN 0.185 nan 8.240 nan 0.000 0.444 102 T N 1.958 116.502 114.554 -0.017 0.000 2.777 102 T HA 0.017 4.367 4.350 0.000 0.000 0.266 102 T C 2.425 177.081 174.700 -0.073 0.000 1.040 102 T CA 1.094 63.179 62.100 -0.025 0.000 1.141 102 T CB -0.535 68.346 68.868 0.022 0.000 0.868 102 T HN 0.427 nan 8.240 nan 0.000 0.444 103 A N 1.745 124.510 122.820 -0.091 0.000 1.933 103 A HA -0.123 4.197 4.320 0.000 0.000 0.218 103 A C 2.372 179.853 177.584 -0.171 0.000 1.175 103 A CA 1.449 53.418 52.037 -0.114 0.000 0.628 103 A CB -0.457 18.480 19.000 -0.105 0.000 0.814 103 A HN 0.412 nan 8.150 nan 0.000 0.444 104 R N -0.630 119.703 120.500 -0.279 0.000 2.090 104 R HA 0.022 4.362 4.340 0.000 0.000 0.228 104 R C 2.424 178.593 176.300 -0.218 0.000 1.110 104 R CA 1.037 56.946 56.100 -0.319 0.000 0.973 104 R CB -0.406 29.556 30.300 -0.564 0.000 0.869 104 R HN 0.498 nan 8.270 nan 0.000 0.440 105 A N 1.159 123.868 122.820 -0.185 0.000 1.972 105 A HA -0.184 4.136 4.320 0.000 0.000 0.219 105 A C 2.110 179.640 177.584 -0.090 0.000 1.169 105 A CA 1.311 53.273 52.037 -0.125 0.000 0.635 105 A CB -0.447 18.502 19.000 -0.085 0.000 0.810 105 A HN 0.337 nan 8.150 nan 0.000 0.446 106 M N -0.331 119.219 119.600 -0.084 0.000 2.132 106 M HA -0.109 4.371 4.480 0.000 0.000 0.263 106 M C 1.853 178.113 176.300 -0.067 0.000 1.065 106 M CA 1.920 57.183 55.300 -0.062 0.000 1.122 106 M CB -0.220 32.346 32.600 -0.056 0.000 1.365 106 M HN 0.180 nan 8.290 nan 0.000 0.411 107 V N 1.141 121.004 119.914 -0.084 0.000 2.332 107 V HA -0.276 3.844 4.120 0.000 0.000 0.248 107 V C 2.431 178.483 176.094 -0.070 0.000 1.055 107 V CA 1.767 64.021 62.300 -0.076 0.000 1.038 107 V CB -0.941 30.829 31.823 -0.088 0.000 0.651 107 V HN 0.593 nan 8.190 nan 0.000 0.450 108 L N 0.872 122.043 121.223 -0.086 0.000 2.046 108 L HA -0.073 4.267 4.340 0.000 0.000 0.208 108 L C 2.442 179.274 176.870 -0.064 0.000 1.077 108 L CA 2.331 57.124 54.840 -0.078 0.000 0.747 108 L CB -0.952 41.052 42.059 -0.093 0.000 0.896 108 L HN 0.215 nan 8.230 nan 0.000 0.432 109 A N -0.355 122.429 122.820 -0.060 0.000 1.908 109 A HA -0.271 4.049 4.320 0.000 0.000 0.218 109 A C 2.468 180.028 177.584 -0.041 0.000 1.181 109 A CA 1.897 53.903 52.037 -0.051 0.000 0.627 109 A CB -0.626 18.348 19.000 -0.044 0.000 0.818 109 A HN 0.486 nan 8.150 nan 0.000 0.445 110 R N -0.630 119.847 120.500 -0.037 0.000 2.075 110 R HA -0.085 4.255 4.340 0.000 0.000 0.232 110 R C 1.954 178.239 176.300 -0.025 0.000 1.126 110 R CA 1.585 57.669 56.100 -0.027 0.000 0.963 110 R CB -0.689 29.594 30.300 -0.027 0.000 0.858 110 R HN 0.444 nan 8.270 nan 0.000 0.435 111 L N -0.078 121.126 121.223 -0.033 0.000 2.012 111 L HA -0.112 4.228 4.340 0.000 0.000 0.210 111 L C 1.923 178.775 176.870 -0.030 0.000 1.073 111 L CA 1.688 56.510 54.840 -0.030 0.000 0.748 111 L CB -0.548 41.489 42.059 -0.037 0.000 0.891 111 L HN 0.081 nan 8.230 nan 0.000 0.431 112 V N -1.012 118.878 119.914 -0.039 0.000 2.407 112 V HA -0.264 3.856 4.120 0.000 0.000 0.248 112 V C 2.768 178.843 176.094 -0.031 0.000 1.055 112 V CA 1.778 64.053 62.300 -0.042 0.000 1.049 112 V CB -0.804 30.982 31.823 -0.062 0.000 0.662 112 V HN 0.646 nan 8.190 nan 0.000 0.455 113 S N -0.340 115.345 115.700 -0.026 0.000 2.368 113 S HA -0.125 4.345 4.470 0.000 0.000 0.224 113 S C 1.920 176.518 174.600 -0.004 0.000 1.029 113 S CA 1.571 59.761 58.200 -0.016 0.000 0.988 113 S CB -0.319 62.874 63.200 -0.012 0.000 0.838 113 S HN 0.527 nan 8.310 nan 0.000 0.462 114 I N 1.703 122.272 120.570 -0.002 0.000 2.286 114 I HA -0.142 4.028 4.170 0.000 0.000 0.248 114 I C 2.659 178.779 176.117 0.004 0.000 1.115 114 I CA 1.051 62.356 61.300 0.008 0.000 1.392 114 I CB -0.475 37.526 38.000 0.003 0.000 1.065 114 I HN 0.364 nan 8.210 nan 0.000 0.418 115 A N 0.075 122.891 122.820 -0.006 0.000 2.186 115 A HA -0.190 4.130 4.320 0.000 0.000 0.219 115 A C 2.055 179.640 177.584 0.001 0.000 1.159 115 A CA 1.142 53.176 52.037 -0.006 0.000 0.680 115 A CB -0.321 18.671 19.000 -0.012 0.000 0.787 115 A HN 0.407 nan 8.150 nan 0.000 0.467 116 Q N -1.137 118.665 119.800 0.004 0.000 2.435 116 Q HA 0.097 4.437 4.340 0.000 0.000 0.207 116 Q C 1.203 177.212 176.000 0.016 0.000 0.956 116 Q CA 0.756 56.564 55.803 0.008 0.000 0.917 116 Q CB -0.519 28.222 28.738 0.005 0.000 0.997 116 Q HN 1.034 nan 8.270 nan 0.000 0.497 117 G N 0.587 109.399 108.800 0.021 0.000 2.248 117 G HA2 -0.198 3.762 3.960 0.000 0.000 0.263 117 G HA3 -0.198 3.762 3.960 0.000 0.000 0.263 117 G C 0.454 175.388 174.900 0.057 0.000 1.082 117 G CA 0.408 45.526 45.100 0.030 0.000 0.863 117 G HN 0.518 nan 8.290 nan 0.000 0.495 118 A N -1.040 121.825 122.820 0.076 0.000 2.628 118 A HA 0.710 5.030 4.320 0.000 0.000 0.267 118 A C 1.640 179.347 177.584 0.206 0.000 1.159 118 A CA 1.349 53.459 52.037 0.121 0.000 0.972 118 A CB 0.301 19.332 19.000 0.052 0.000 1.211 118 A HN 0.823 nan 8.150 nan 0.000 0.576 119 S N -1.071 114.743 115.700 0.190 0.000 2.512 119 S HA 0.372 4.842 4.470 0.000 0.000 0.216 119 S C 1.490 176.258 174.600 0.281 0.000 1.006 119 S CA 0.631 58.974 58.200 0.238 0.000 0.915 119 S CB 0.467 63.737 63.200 0.116 0.000 0.824 119 S HN 1.661 nan 8.310 nan 0.000 0.497 120 G N 1.992 110.876 108.800 0.140 0.000 2.155 120 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 120 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 120 G C 0.239 175.111 174.900 -0.046 0.000 0.983 120 G CA 0.028 45.095 45.100 -0.056 0.000 0.676 120 G HN 0.914 nan 8.290 nan 0.000 0.528 121 A N 0.373 123.191 122.820 -0.004 0.000 2.540 121 A HA 0.591 4.911 4.320 0.000 0.000 0.239 121 A C 1.163 178.697 177.584 -0.084 0.000 1.061 121 A CA 1.034 53.055 52.037 -0.027 0.000 0.758 121 A CB 0.183 19.177 19.000 -0.009 0.000 0.991 121 A HN 2.041 nan 8.150 nan 0.000 0.502 122 S N 1.751 117.372 115.700 -0.132 0.000 2.603 122 S HA 0.185 4.655 4.470 0.000 0.000 0.268 122 S C 0.742 175.245 174.600 -0.160 0.000 1.317 122 S CA 0.078 58.128 58.200 -0.250 0.000 1.012 122 S CB 0.767 63.661 63.200 -0.510 0.000 0.926 122 S HN 0.720 nan 8.310 nan 0.000 0.539 123 E N 1.674 121.777 120.200 -0.162 0.000 2.118 123 E HA -0.132 4.218 4.350 0.000 0.000 0.195 123 E C 2.125 178.686 176.600 -0.065 0.000 0.992 123 E CA 1.261 57.606 56.400 -0.091 0.000 0.804 123 E CB -0.755 28.899 29.700 -0.076 0.000 0.741 123 E HN 0.908 nan 8.360 nan 0.000 0.458 124 G N 0.488 109.246 108.800 -0.070 0.000 2.418 124 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 124 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 124 G C 1.638 176.530 174.900 -0.014 0.000 1.158 124 G CA 1.274 46.361 45.100 -0.022 0.000 0.771 124 G HN 0.187 nan 8.290 nan 0.000 0.545 125 T N 1.328 115.867 114.554 -0.025 0.000 2.746 125 T HA -0.059 4.291 4.350 0.000 0.000 0.267 125 T C 2.392 177.083 174.700 -0.015 0.000 1.039 125 T CA 1.032 63.125 62.100 -0.012 0.000 1.142 125 T CB -0.169 68.691 68.868 -0.014 0.000 0.866 125 T HN 0.248 nan 8.240 nan 0.000 0.444 126 I N 1.254 121.808 120.570 -0.027 0.000 2.286 126 I HA -0.161 4.009 4.170 0.000 0.000 0.248 126 I C 2.873 178.979 176.117 -0.018 0.000 1.115 126 I CA 1.005 62.291 61.300 -0.023 0.000 1.392 126 I CB -0.445 37.538 38.000 -0.029 0.000 1.065 126 I HN 0.184 nan 8.210 nan 0.000 0.418 127 A N 0.811 123.620 122.820 -0.017 0.000 1.972 127 A HA -0.174 4.146 4.320 0.000 0.000 0.219 127 A C 2.333 179.914 177.584 -0.005 0.000 1.169 127 A CA 1.268 53.298 52.037 -0.012 0.000 0.635 127 A CB -0.377 18.617 19.000 -0.010 0.000 0.810 127 A HN 0.252 nan 8.150 nan 0.000 0.446 128 R N -0.183 120.317 120.500 0.001 0.000 2.092 128 R HA -0.006 4.334 4.340 0.000 0.000 0.231 128 R C 2.028 178.335 176.300 0.011 0.000 1.119 128 R CA 1.123 57.231 56.100 0.013 0.000 0.970 128 R CB -1.013 29.301 30.300 0.023 0.000 0.864 128 R HN 0.589 nan 8.270 nan 0.000 0.440 129 L N 0.217 121.439 121.223 -0.001 0.000 2.027 129 L HA -0.099 4.241 4.340 0.000 0.000 0.206 129 L C 2.496 179.355 176.870 -0.019 0.000 1.074 129 L CA 1.164 55.997 54.840 -0.011 0.000 0.745 129 L CB -0.466 41.581 42.059 -0.020 0.000 0.898 129 L HN 0.063 nan 8.230 nan 0.000 0.433 130 I N -0.124 120.435 120.570 -0.019 0.000 2.226 130 I HA -0.281 3.889 4.170 0.000 0.000 0.245 130 I C 2.130 178.237 176.117 -0.018 0.000 1.100 130 I CA 1.136 62.423 61.300 -0.022 0.000 1.374 130 I CB -0.364 37.624 38.000 -0.019 0.000 1.057 130 I HN 0.259 nan 8.210 nan 0.000 0.413 131 D N 0.749 121.142 120.400 -0.011 0.000 2.097 131 D HA -0.177 4.463 4.640 0.000 0.000 0.195 131 D C 2.144 178.439 176.300 -0.008 0.000 0.989 131 D CA 0.970 54.964 54.000 -0.009 0.000 0.827 131 D CB -0.353 40.443 40.800 -0.006 0.000 0.966 131 D HN 0.152 nan 8.370 nan 0.000 0.456 132 L N 0.883 122.107 121.223 0.002 0.000 1.989 132 L HA -0.165 4.175 4.340 0.000 0.000 0.211 132 L C 2.211 179.065 176.870 -0.027 0.000 1.071 132 L CA 1.451 56.299 54.840 0.012 0.000 0.749 132 L CB -0.931 41.153 42.059 0.042 0.000 0.890 132 L HN 0.101 nan 8.230 nan 0.000 0.431 133 L N 0.165 121.358 121.223 -0.049 0.000 2.127 133 L HA -0.237 4.103 4.340 0.000 0.000 0.211 133 L C 2.085 178.926 176.870 -0.049 0.000 1.089 133 L CA 1.158 55.949 54.840 -0.081 0.000 0.757 133 L CB -0.615 41.397 42.059 -0.079 0.000 0.899 133 L HN 0.390 nan 8.230 nan 0.000 0.434 134 N N -0.437 118.249 118.700 -0.022 0.000 2.467 134 N HA -0.028 4.712 4.740 0.000 0.000 0.184 134 N C 0.947 176.467 175.510 0.017 0.000 1.106 134 N CA 0.490 53.538 53.050 -0.003 0.000 0.892 134 N CB 0.076 38.560 38.487 -0.005 0.000 0.969 134 N HN 0.358 nan 8.380 nan 0.000 0.454 135 S N 0.053 115.764 115.700 0.018 0.000 2.686 135 S HA 0.265 4.735 4.470 0.000 0.000 0.270 135 S C 0.757 175.427 174.600 0.118 0.000 1.194 135 S CA -0.447 57.777 58.200 0.040 0.000 0.990 135 S CB 1.391 64.596 63.200 0.009 0.000 1.029 135 S HN -0.073 nan 8.310 nan 0.000 0.560 136 E N 0.092 120.388 120.200 0.160 0.000 2.444 136 E HA 0.352 4.702 4.350 0.000 0.000 0.191 136 E C -0.161 176.743 176.600 0.507 0.000 1.041 136 E CA -0.012 56.580 56.400 0.320 0.000 0.883 136 E CB -0.208 29.587 29.700 0.158 0.000 1.024 136 E HN 0.503 nan 8.360 nan 0.000 0.470 137 L N -0.113 121.310 121.223 0.334 0.000 2.331 137 L HA 0.751 5.091 4.340 0.000 0.000 0.268 137 L C -0.020 176.961 176.870 0.184 0.000 1.015 137 L CA -1.072 53.988 54.840 0.366 0.000 0.807 137 L CB 1.550 43.702 42.059 0.155 0.000 1.293 137 L HN -0.158 nan 8.230 nan 0.000 0.451 138 A N 1.006 123.963 122.820 0.229 0.000 2.549 138 A HA 0.793 5.114 4.320 0.000 0.000 0.297 138 A C -2.813 174.843 177.584 0.120 0.000 1.061 138 A CA -1.359 50.668 52.037 -0.017 0.000 0.690 138 A CB 1.858 20.654 19.000 -0.340 0.000 1.287 138 A HN 0.362 nan 8.150 nan 0.000 0.402 139 P HA 0.382 nan 4.420 nan 0.000 0.274 139 P C -0.338 176.871 177.300 -0.151 0.000 1.231 139 P CA 0.068 63.017 63.100 -0.252 0.000 0.790 139 P CB 1.259 32.814 31.700 -0.241 0.000 0.951 140 A N 3.185 125.893 122.820 -0.187 0.000 2.294 140 A HA 0.487 4.807 4.320 0.000 0.000 0.316 140 A C -0.280 177.235 177.584 -0.114 0.000 1.359 140 A CA -0.454 51.527 52.037 -0.093 0.000 0.956 140 A CB -0.224 18.739 19.000 -0.062 0.000 1.155 140 A HN 0.348 nan 8.150 nan 0.000 0.544 141 V N 5.565 125.417 119.914 -0.102 0.000 2.540 141 V HA 0.434 4.554 4.120 0.000 0.000 0.302 141 V C -2.246 173.748 176.094 -0.167 0.000 1.035 141 V CA -1.793 60.426 62.300 -0.134 0.000 0.873 141 V CB 2.157 33.932 31.823 -0.080 0.000 0.992 141 V HN 0.806 nan 8.190 nan 0.000 0.428 142 P HA 0.082 nan 4.420 nan 0.000 0.268 142 P C 0.690 177.907 177.300 -0.139 0.000 1.205 142 P CA 0.081 63.041 63.100 -0.233 0.000 0.771 142 P CB 1.038 32.523 31.700 -0.359 0.000 0.858 143 S N 2.844 118.496 115.700 -0.081 0.000 2.461 143 S HA 0.010 4.481 4.470 0.000 0.000 0.228 143 S C 0.853 175.436 174.600 -0.029 0.000 1.005 143 S CA 0.165 58.340 58.200 -0.042 0.000 0.942 143 S CB -0.115 63.073 63.200 -0.020 0.000 0.776 143 S HN 0.407 nan 8.310 nan 0.000 0.514 144 R N -0.178 120.301 120.500 -0.035 0.000 2.668 144 R HA 0.625 4.965 4.340 0.000 0.000 0.279 144 R C 0.818 177.112 176.300 -0.009 0.000 0.976 144 R CA 0.043 56.134 56.100 -0.015 0.000 0.978 144 R CB 1.540 31.833 30.300 -0.011 0.000 1.133 144 R HN 0.330 nan 8.270 nan 0.000 0.484 145 G N 0.226 109.031 108.800 0.009 0.000 3.006 145 G HA2 -0.209 3.751 3.960 0.000 0.000 0.195 145 G HA3 -0.209 3.751 3.960 0.000 0.000 0.195 145 G C 0.086 175.002 174.900 0.026 0.000 1.034 145 G CA -0.103 45.011 45.100 0.023 0.000 0.807 145 G HN 0.597 nan 8.290 nan 0.000 0.469 146 T N 0.779 115.345 114.554 0.021 0.000 2.928 146 T HA 0.526 4.876 4.350 0.000 0.000 0.284 146 T C 1.427 176.142 174.700 0.026 0.000 1.008 146 T CA 0.483 62.594 62.100 0.019 0.000 1.057 146 T CB 1.637 70.511 68.868 0.011 0.000 1.018 146 T HN 1.165 nan 8.240 nan 0.000 0.493 147 V N 1.243 121.174 119.914 0.029 0.000 3.444 147 V HA 0.599 4.720 4.120 0.000 0.000 0.308 147 V C 1.131 177.253 176.094 0.048 0.000 1.371 147 V CA 0.219 62.543 62.300 0.040 0.000 1.141 147 V CB -1.292 30.558 31.823 0.044 0.000 1.037 147 V HN 1.350 nan 8.190 nan 0.000 0.433 153 L N -0.293 120.889 121.223 -0.068 0.000 2.046 153 L HA -0.135 4.205 4.340 0.000 0.000 0.208 153 L C 2.347 179.151 176.870 -0.110 0.000 1.077 153 L CA 1.407 56.181 54.840 -0.111 0.000 0.747 153 L CB -0.634 41.333 42.059 -0.154 0.000 0.896 153 L HN 0.092 nan 8.230 nan 0.000 0.432 154 T N 0.528 115.045 114.554 -0.061 0.000 2.622 154 T HA -0.093 4.257 4.350 0.000 0.000 0.266 154 T C -0.415 174.335 174.700 0.083 0.000 1.047 154 T CA 1.743 63.837 62.100 -0.010 0.000 1.159 154 T CB -1.184 67.709 68.868 0.042 0.000 0.863 154 T HN 0.311 nan 8.240 nan 0.000 0.422 155 P HA 0.012 nan 4.420 nan 0.000 0.218 155 P C 1.567 178.886 177.300 0.031 0.000 1.149 155 P CA 0.993 64.132 63.100 0.064 0.000 0.817 155 P CB -0.226 31.478 31.700 0.006 0.000 0.785 156 L N -0.736 120.475 121.223 -0.020 0.000 2.156 156 L HA -0.066 4.274 4.340 0.000 0.000 0.208 156 L C 2.776 179.596 176.870 -0.083 0.000 1.095 156 L CA 1.226 56.036 54.840 -0.050 0.000 0.770 156 L CB -0.993 41.030 42.059 -0.060 0.000 0.914 156 L HN -0.058 nan 8.230 nan 0.000 0.439 157 A N -0.852 121.892 122.820 -0.127 0.000 1.898 157 A HA -0.216 4.104 4.320 0.000 0.000 0.216 157 A C 2.132 179.589 177.584 -0.212 0.000 1.181 157 A CA 1.252 53.157 52.037 -0.220 0.000 0.620 157 A CB -0.714 18.086 19.000 -0.333 0.000 0.819 157 A HN 0.395 nan 8.150 nan 0.000 0.442 158 H N -1.106 117.898 119.070 -0.110 0.000 2.387 158 H HA -0.116 4.440 4.556 0.000 0.000 0.299 158 H C 2.100 177.354 175.328 -0.123 0.000 1.090 158 H CA 1.780 57.766 56.048 -0.103 0.000 1.332 158 H CB -0.293 29.414 29.762 -0.092 0.000 1.386 158 H HN 0.602 nan 8.280 nan 0.000 0.516 159 M N 0.591 120.185 119.600 -0.011 0.000 2.080 159 M HA -0.158 4.322 4.480 0.000 0.000 0.260 159 M C 2.141 178.389 176.300 -0.088 0.000 1.068 159 M CA 1.389 56.646 55.300 -0.072 0.000 1.109 159 M CB -0.147 32.416 32.600 -0.062 0.000 1.342 159 M HN -0.003 nan 8.290 nan 0.000 0.405 160 V N 1.281 121.146 119.914 -0.082 0.000 2.332 160 V HA -0.308 3.812 4.120 0.000 0.000 0.248 160 V C 2.450 178.502 176.094 -0.069 0.000 1.055 160 V CA 1.862 64.117 62.300 -0.075 0.000 1.038 160 V CB -0.747 31.017 31.823 -0.097 0.000 0.651 160 V HN 0.548 nan 8.190 nan 0.000 0.450 161 L N -0.908 120.265 121.223 -0.083 0.000 2.046 161 L HA -0.233 4.107 4.340 0.000 0.000 0.208 161 L C 2.669 179.498 176.870 -0.069 0.000 1.077 161 L CA 1.750 56.555 54.840 -0.059 0.000 0.747 161 L CB -0.760 41.266 42.059 -0.056 0.000 0.896 161 L HN 0.405 nan 8.230 nan 0.000 0.432 162 C N -0.113 119.098 119.300 -0.149 0.000 2.413 162 C HA -0.168 4.292 4.460 0.000 0.000 0.276 162 C C 2.684 177.555 174.990 -0.199 0.000 1.236 162 C CA 0.488 59.301 59.018 -0.343 0.000 1.735 162 C CB -0.889 26.492 27.740 -0.598 0.000 2.031 162 C HN 0.441 nan 8.230 nan 0.000 0.474 163 L N 0.294 121.479 121.223 -0.063 0.000 2.362 163 L HA -0.167 4.173 4.340 0.000 0.000 0.219 163 L C 2.413 179.357 176.870 0.124 0.000 1.134 163 L CA 1.264 56.175 54.840 0.120 0.000 0.807 163 L CB -0.646 41.449 42.059 0.061 0.000 0.927 163 L HN 0.537 nan 8.230 nan 0.000 0.447 164 Q N -0.399 119.441 119.800 0.066 0.000 2.360 164 Q HA 0.117 4.457 4.340 0.000 0.000 0.202 164 Q C 1.334 177.388 176.000 0.091 0.000 0.915 164 Q CA 0.504 56.344 55.803 0.062 0.000 0.943 164 Q CB 0.611 29.366 28.738 0.027 0.000 1.064 164 Q HN 0.550 nan 8.270 nan 0.000 0.511 165 G N 1.749 110.636 108.800 0.145 0.000 2.143 165 G HA2 -0.304 3.656 3.960 0.000 0.000 0.249 165 G HA3 -0.304 3.656 3.960 0.000 0.000 0.249 165 G C 0.494 175.460 174.900 0.110 0.000 0.981 165 G CA 0.032 45.241 45.100 0.182 0.000 0.665 165 G HN 0.311 nan 8.290 nan 0.000 0.528 166 R N 0.080 120.616 120.500 0.060 0.000 2.552 166 R HA 0.478 4.818 4.340 0.000 0.000 0.314 166 R C 0.966 177.272 176.300 0.011 0.000 1.041 166 R CA 0.496 56.619 56.100 0.037 0.000 1.076 166 R CB 0.789 31.111 30.300 0.035 0.000 1.290 166 R HN 0.549 nan 8.270 nan 0.000 0.563 167 G N -0.284 108.507 108.800 -0.016 0.000 2.698 167 G HA2 0.213 4.173 3.960 0.000 0.000 0.293 167 G HA3 0.213 4.173 3.960 0.000 0.000 0.293 167 G C -1.542 173.292 174.900 -0.110 0.000 1.437 167 G CA -0.706 44.355 45.100 -0.065 0.000 0.852 167 G HN -0.111 nan 8.290 nan 0.000 0.499 168 D N -0.388 119.962 120.400 -0.083 0.000 2.357 168 D HA 0.542 5.182 4.640 0.000 0.000 0.242 168 D C -0.428 175.767 176.300 -0.176 0.000 1.153 168 D CA 0.571 54.554 54.000 -0.028 0.000 0.918 168 D CB 0.886 41.693 40.800 0.013 0.000 1.181 168 D HN 0.102 nan 8.370 nan 0.000 0.435 169 F N -0.419 119.555 119.950 0.040 0.000 2.575 169 F HA 0.513 5.040 4.527 0.000 0.000 0.330 169 F C -0.070 175.776 175.800 0.077 0.000 1.056 169 F CA -0.923 57.109 58.000 0.053 0.000 0.964 169 F CB 1.163 40.195 39.000 0.054 0.000 1.258 169 F HN -0.071 nan 8.300 nan 0.000 0.484 170 L N 1.540 122.963 121.223 0.333 0.000 2.365 170 L HA 0.411 4.751 4.340 0.000 0.000 0.273 170 L C -0.982 176.113 176.870 0.375 0.000 1.000 170 L CA -1.071 53.944 54.840 0.292 0.000 0.819 170 L CB 1.808 44.042 42.059 0.292 0.000 1.284 170 L HN 0.600 nan 8.230 nan 0.000 0.418 171 D N 0.971 121.492 120.400 0.202 0.000 2.451 171 D HA 0.127 4.767 4.640 0.000 0.000 0.259 171 D C 0.933 177.111 176.300 -0.204 0.000 1.201 171 D CA -0.707 53.344 54.000 0.086 0.000 1.028 171 D CB 0.788 41.587 40.800 -0.001 0.000 1.095 171 D HN 0.361 nan 8.370 nan 0.000 0.539 172 R N -0.575 119.545 120.500 -0.633 0.000 2.139 172 R HA -0.144 4.196 4.340 0.000 0.000 0.243 172 R C 0.693 176.639 176.300 -0.591 0.000 1.145 172 R CA 1.639 56.989 56.100 -1.250 0.000 0.976 172 R CB -0.278 29.406 30.300 -1.027 0.000 0.866 172 R HN 0.447 nan 8.270 nan 0.000 0.449 173 D N -1.379 118.842 120.400 -0.298 0.000 2.349 173 D HA 0.098 4.738 4.640 0.000 0.000 0.224 173 D C 0.843 177.103 176.300 -0.066 0.000 1.029 173 D CA 1.052 54.961 54.000 -0.152 0.000 0.879 173 D CB 0.596 41.333 40.800 -0.105 0.000 0.906 173 D HN 0.525 nan 8.370 nan 0.000 0.528 174 G N 0.954 109.735 108.800 -0.031 0.000 2.176 174 G HA2 -0.261 3.699 3.960 0.000 0.000 0.253 174 G HA3 -0.261 3.699 3.960 0.000 0.000 0.253 174 G C 0.553 175.479 174.900 0.043 0.000 0.979 174 G CA 0.235 45.361 45.100 0.044 0.000 0.641 174 G HN 0.284 nan 8.290 nan 0.000 0.530 175 T N 2.681 117.250 114.554 0.025 0.000 2.870 175 T HA 0.445 4.795 4.350 0.000 0.000 0.300 175 T C 0.778 175.515 174.700 0.062 0.000 0.989 175 T CA -0.146 61.972 62.100 0.031 0.000 1.139 175 T CB 0.856 69.732 68.868 0.013 0.000 0.920 175 T HN 0.262 nan 8.240 nan 0.000 0.537 176 R N 2.897 123.432 120.500 0.058 0.000 2.390 176 R HA 0.462 4.802 4.340 0.000 0.000 0.291 176 R C -0.433 175.917 176.300 0.083 0.000 1.070 176 R CA -0.307 55.837 56.100 0.074 0.000 1.014 176 R CB 0.569 30.900 30.300 0.051 0.000 1.007 176 R HN 0.566 nan 8.270 nan 0.000 0.466 177 L N 2.466 123.763 121.223 0.124 0.000 2.386 177 L HA 0.270 4.610 4.340 0.000 0.000 0.271 177 L C 0.016 176.982 176.870 0.161 0.000 0.993 177 L CA -1.299 53.618 54.840 0.128 0.000 0.819 177 L CB 2.106 44.251 42.059 0.143 0.000 1.294 177 L HN 0.602 nan 8.230 nan 0.000 0.414 178 D N 1.408 121.881 120.400 0.122 0.000 2.360 178 D HA 0.085 4.725 4.640 0.000 0.000 0.242 178 D C 1.258 177.681 176.300 0.205 0.000 1.184 178 D CA 0.026 54.101 54.000 0.126 0.000 0.930 178 D CB 1.022 41.870 40.800 0.079 0.000 1.161 178 D HN 0.581 nan 8.370 nan 0.000 0.447 179 G N 0.367 109.288 108.800 0.202 0.000 2.599 179 G HA2 -0.310 3.651 3.960 0.000 0.000 0.219 179 G HA3 -0.310 3.651 3.960 0.000 0.000 0.219 179 G C 1.506 176.547 174.900 0.235 0.000 1.193 179 G CA 2.128 47.407 45.100 0.299 0.000 0.778 179 G HN 0.741 nan 8.290 nan 0.000 0.589 180 A N 0.709 123.604 122.820 0.124 0.000 1.883 180 A HA -0.099 4.221 4.320 0.000 0.000 0.217 180 A C 2.229 179.829 177.584 0.028 0.000 1.186 180 A CA 2.430 54.507 52.037 0.066 0.000 0.624 180 A CB -0.552 18.476 19.000 0.047 0.000 0.822 180 A HN 0.455 nan 8.150 nan 0.000 0.444 181 E N 0.118 120.341 120.200 0.037 0.000 2.110 181 E HA -0.055 4.295 4.350 0.000 0.000 0.193 181 E C 1.942 178.506 176.600 -0.061 0.000 0.988 181 E CA 1.703 58.105 56.400 0.004 0.000 0.804 181 E CB -0.866 28.851 29.700 0.029 0.000 0.745 181 E HN 0.403 nan 8.360 nan 0.000 0.458 182 G N 0.781 109.529 108.800 -0.086 0.000 2.421 182 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 182 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 182 G C 1.637 176.186 174.900 -0.586 0.000 1.171 182 G CA 0.926 45.749 45.100 -0.462 0.000 0.775 182 G HN 0.313 nan 8.290 nan 0.000 0.543 183 L N -0.052 120.937 121.223 -0.390 0.000 2.042 183 L HA -0.100 4.240 4.340 0.000 0.000 0.210 183 L C 2.940 179.714 176.870 -0.160 0.000 1.076 183 L CA 1.520 56.214 54.840 -0.242 0.000 0.749 183 L CB -0.432 41.586 42.059 -0.069 0.000 0.893 183 L HN 0.232 nan 8.230 nan 0.000 0.432 184 R N 0.570 121.002 120.500 -0.114 0.000 2.070 184 R HA -0.211 4.129 4.340 0.000 0.000 0.232 184 R C 2.529 178.779 176.300 -0.082 0.000 1.138 184 R CA 1.827 57.883 56.100 -0.073 0.000 0.936 184 R CB -0.258 30.014 30.300 -0.045 0.000 0.839 184 R HN 0.171 nan 8.270 nan 0.000 0.429 185 R N -0.534 119.908 120.500 -0.097 0.000 2.105 185 R HA -0.093 4.247 4.340 0.000 0.000 0.239 185 R C 1.825 178.072 176.300 -0.088 0.000 1.135 185 R CA 1.824 57.876 56.100 -0.080 0.000 0.967 185 R CB -0.462 29.795 30.300 -0.072 0.000 0.861 185 R HN 0.442 nan 8.270 nan 0.000 0.442 186 G N -0.507 108.208 108.800 -0.142 0.000 3.042 186 G HA2 -0.076 3.884 3.960 0.000 0.000 0.212 186 G HA3 -0.076 3.884 3.960 0.000 0.000 0.212 186 G C 0.071 174.918 174.900 -0.089 0.000 1.166 186 G CA -0.083 44.947 45.100 -0.116 0.000 0.767 186 G HN 0.402 nan 8.290 nan 0.000 0.546 187 R N -0.821 119.629 120.500 -0.084 0.000 3.205 187 R HA -0.151 4.189 4.340 0.000 0.000 0.249 187 R C -0.865 175.401 176.300 -0.056 0.000 0.937 187 R CA 0.134 56.200 56.100 -0.057 0.000 0.641 187 R CB -1.874 28.404 30.300 -0.036 0.000 1.114 187 R HN 0.338 nan 8.270 nan 0.000 0.451 188 L N 1.335 122.512 121.223 -0.077 0.000 2.322 188 L HA 0.514 4.854 4.340 0.000 0.000 0.269 188 L C 0.337 177.189 176.870 -0.029 0.000 1.012 188 L CA -1.232 53.574 54.840 -0.057 0.000 0.815 188 L CB 1.786 43.791 42.059 -0.091 0.000 1.295 188 L HN 0.172 nan 8.230 nan 0.000 0.438 189 Q N 2.124 121.921 119.800 -0.004 0.000 2.245 189 Q HA 0.413 4.753 4.340 0.000 0.000 0.256 189 Q C -2.372 173.646 176.000 0.029 0.000 0.942 189 Q CA -1.982 53.827 55.803 0.009 0.000 0.896 189 Q CB 1.671 30.415 28.738 0.011 0.000 1.272 189 Q HN 0.291 nan 8.270 nan 0.000 0.442 190 P HA 0.013 nan 4.420 nan 0.000 0.271 190 P C -0.265 177.062 177.300 0.045 0.000 1.216 190 P CA -0.539 62.592 63.100 0.052 0.000 0.771 190 P CB 0.617 32.344 31.700 0.045 0.000 0.864 191 L N 3.242 124.495 121.223 0.050 0.000 2.513 191 L HA 0.170 4.510 4.340 0.000 0.000 0.272 191 L C -0.104 176.784 176.870 0.030 0.000 1.187 191 L CA 0.646 55.508 54.840 0.037 0.000 0.895 191 L CB -0.601 41.476 42.059 0.031 0.000 1.147 191 L HN 0.308 nan 8.230 nan 0.000 0.483 192 D N 4.530 124.951 120.400 0.036 0.000 2.425 192 D HA 0.254 4.894 4.640 0.000 0.000 0.240 192 D C -0.105 176.227 176.300 0.054 0.000 1.080 192 D CA -0.212 53.809 54.000 0.036 0.000 0.836 192 D CB 0.763 41.587 40.800 0.040 0.000 1.125 192 D HN 0.615 nan 8.370 nan 0.000 0.525 193 L N 3.151 124.392 121.223 0.030 0.000 2.783 193 L HA 0.119 4.459 4.340 0.000 0.000 0.236 193 L C 1.897 178.785 176.870 0.030 0.000 1.225 193 L CA -0.131 54.733 54.840 0.040 0.000 1.026 193 L CB -0.221 41.843 42.059 0.008 0.000 1.314 193 L HN 0.409 nan 8.230 nan 0.000 0.489 194 S N -1.991 113.707 115.700 -0.003 0.000 2.440 194 S HA -0.226 4.244 4.470 0.000 0.000 0.238 194 S C 1.455 175.977 174.600 -0.130 0.000 1.010 194 S CA 1.013 59.161 58.200 -0.087 0.000 0.972 194 S CB -0.500 62.607 63.200 -0.155 0.000 0.774 194 S HN 0.550 nan 8.310 nan 0.000 0.501 195 H N 1.608 120.671 119.070 -0.013 0.000 2.556 195 H HA 0.331 4.887 4.556 0.000 0.000 0.268 195 H C 0.558 175.876 175.328 -0.017 0.000 0.996 195 H CA 0.419 56.456 56.048 -0.019 0.000 1.157 195 H CB -0.133 29.614 29.762 -0.024 0.000 1.355 195 H HN 0.349 nan 8.280 nan 0.000 0.597 196 R N 0.931 121.476 120.500 0.075 0.000 3.651 196 R HA -0.134 4.206 4.340 0.000 0.000 0.292 196 R C -0.791 175.552 176.300 0.071 0.000 1.161 196 R CA 0.846 56.981 56.100 0.057 0.000 0.787 196 R CB -1.822 28.504 30.300 0.042 0.000 1.249 196 R HN 0.553 nan 8.270 nan 0.000 0.476 197 D N -0.953 119.493 120.400 0.076 0.000 2.615 197 D HA 0.249 4.889 4.640 0.000 0.000 0.236 197 D C 1.154 177.487 176.300 0.056 0.000 1.233 197 D CA 0.300 54.340 54.000 0.066 0.000 0.829 197 D CB 0.421 41.246 40.800 0.041 0.000 1.024 197 D HN 0.287 nan 8.370 nan 0.000 0.490 198 A N 0.335 123.185 122.820 0.049 0.000 1.930 198 A HA -0.084 4.236 4.320 0.000 0.000 0.217 198 A C 1.909 179.503 177.584 0.017 0.000 1.175 198 A CA 0.691 52.736 52.037 0.014 0.000 0.627 198 A CB -0.441 18.553 19.000 -0.011 0.000 0.815 198 A HN 0.281 nan 8.150 nan 0.000 0.443 199 L N -0.523 120.741 121.223 0.068 0.000 2.549 199 L HA -0.035 4.305 4.340 0.000 0.000 0.229 199 L C 2.603 179.522 176.870 0.082 0.000 1.158 199 L CA 1.263 56.154 54.840 0.086 0.000 0.842 199 L CB -0.564 41.596 42.059 0.168 0.000 0.952 199 L HN 0.397 nan 8.230 nan 0.000 0.452 200 A N -1.394 121.471 122.820 0.076 0.000 2.123 200 A HA 0.070 4.390 4.320 0.000 0.000 0.214 200 A C 2.125 179.724 177.584 0.026 0.000 1.152 200 A CA 0.850 52.926 52.037 0.065 0.000 0.728 200 A CB -0.199 18.839 19.000 0.063 0.000 0.814 200 A HN 0.385 nan 8.150 nan 0.000 0.464 201 L N -1.068 120.159 121.223 0.006 0.000 2.425 201 L HA 0.128 4.468 4.340 0.000 0.000 0.215 201 L C 0.050 176.898 176.870 -0.037 0.000 1.065 201 L CA 0.272 55.102 54.840 -0.018 0.000 0.842 201 L CB 0.367 42.408 42.059 -0.029 0.000 1.033 201 L HN 0.047 nan 8.230 nan 0.000 0.474 202 V N 1.986 121.870 119.914 -0.049 0.000 2.218 202 V HA 0.372 4.492 4.120 0.000 0.000 0.261 202 V C -0.466 175.599 176.094 -0.049 0.000 1.142 202 V CA -0.200 62.050 62.300 -0.083 0.000 0.965 202 V CB -0.143 31.587 31.823 -0.155 0.000 1.190 202 V HN 0.329 nan 8.190 nan 0.000 0.478 203 N N 1.862 120.548 118.700 -0.023 0.000 3.348 203 N HA 0.499 5.239 4.740 0.000 0.000 0.233 203 N C -0.001 175.528 175.510 0.032 0.000 1.440 203 N CA 0.563 53.621 53.050 0.014 0.000 0.887 203 N CB 2.173 40.690 38.487 0.049 0.000 1.410 203 N HN 0.741 nan 8.380 nan 0.000 0.502 204 G N -0.001 108.852 108.800 0.088 0.000 2.645 204 G HA2 -0.249 3.711 3.960 0.000 0.000 0.246 204 G HA3 -0.249 3.711 3.960 0.000 0.000 0.246 204 G C 0.197 175.142 174.900 0.074 0.000 1.322 204 G CA 0.565 45.721 45.100 0.094 0.000 0.898 204 G HN 1.211 nan 8.290 nan 0.000 0.573 205 T N -3.201 111.382 114.554 0.049 0.000 3.275 205 T HA 0.577 4.927 4.350 0.000 0.000 0.265 205 T C 1.757 176.462 174.700 0.008 0.000 0.978 205 T CA 0.917 63.038 62.100 0.035 0.000 0.923 205 T CB 0.491 69.378 68.868 0.033 0.000 1.126 205 T HN 0.789 nan 8.240 nan 0.000 0.538 206 S N 1.590 117.290 115.700 -0.000 0.000 2.383 206 S HA -0.061 4.409 4.470 0.000 0.000 0.229 206 S C 2.446 177.036 174.600 -0.017 0.000 1.030 206 S CA 1.260 59.451 58.200 -0.015 0.000 1.002 206 S CB -0.522 62.665 63.200 -0.021 0.000 0.829 206 S HN 0.835 nan 8.310 nan 0.000 0.467 207 A N 2.658 125.472 122.820 -0.010 0.000 1.854 207 A HA -0.065 4.255 4.320 0.000 0.000 0.214 207 A C 2.273 179.858 177.584 0.002 0.000 1.192 207 A CA 1.678 53.710 52.037 -0.008 0.000 0.611 207 A CB -0.800 18.197 19.000 -0.005 0.000 0.832 207 A HN 0.646 nan 8.150 nan 0.000 0.442 208 M N -1.434 118.172 119.600 0.010 0.000 2.159 208 M HA -0.098 4.382 4.480 0.000 0.000 0.263 208 M C 1.816 178.122 176.300 0.011 0.000 1.063 208 M CA 2.324 57.635 55.300 0.018 0.000 1.110 208 M CB -1.362 31.252 32.600 0.023 0.000 1.374 208 M HN 0.165 nan 8.290 nan 0.000 0.411 209 T N 1.121 115.672 114.554 -0.005 0.000 2.777 209 T HA 0.007 4.357 4.350 0.000 0.000 0.266 209 T C 1.979 176.674 174.700 -0.008 0.000 1.040 209 T CA 1.639 63.728 62.100 -0.020 0.000 1.141 209 T CB -0.737 68.110 68.868 -0.034 0.000 0.868 209 T HN 0.719 nan 8.240 nan 0.000 0.444 210 G N 1.331 110.126 108.800 -0.009 0.000 2.421 210 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 210 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 210 G C 1.524 176.436 174.900 0.020 0.000 1.171 210 G CA 0.509 45.603 45.100 -0.010 0.000 0.775 210 G HN 0.485 nan 8.290 nan 0.000 0.543 211 I N 1.488 122.074 120.570 0.028 0.000 2.179 211 I HA -0.187 3.983 4.170 0.000 0.000 0.242 211 I C 3.277 179.446 176.117 0.087 0.000 1.088 211 I CA 1.076 62.408 61.300 0.054 0.000 1.357 211 I CB -0.209 37.820 38.000 0.049 0.000 1.051 211 I HN 0.236 nan 8.210 nan 0.000 0.409 212 A N 1.182 124.055 122.820 0.089 0.000 1.972 212 A HA -0.170 4.150 4.320 0.000 0.000 0.219 212 A C 2.239 179.930 177.584 0.178 0.000 1.169 212 A CA 1.810 53.938 52.037 0.152 0.000 0.635 212 A CB -0.797 18.257 19.000 0.090 0.000 0.810 212 A HN 0.528 nan 8.150 nan 0.000 0.446 213 L N -2.247 119.043 121.223 0.112 0.000 2.217 213 L HA 0.067 4.407 4.340 0.000 0.000 0.211 213 L C 1.888 178.871 176.870 0.189 0.000 1.107 213 L CA 1.427 56.343 54.840 0.127 0.000 0.783 213 L CB -0.864 41.236 42.059 0.068 0.000 0.919 213 L HN -0.010 nan 8.230 nan 0.000 0.442 214 V N 0.721 120.745 119.914 0.183 0.000 2.488 214 V HA -0.124 3.996 4.120 0.000 0.000 0.246 214 V C 2.410 178.631 176.094 0.212 0.000 1.046 214 V CA 1.510 63.959 62.300 0.249 0.000 1.053 214 V CB -0.879 31.052 31.823 0.180 0.000 0.679 214 V HN 0.495 nan 8.190 nan 0.000 0.458 215 N N 0.986 119.784 118.700 0.164 0.000 2.084 215 N HA -0.120 4.620 4.740 0.000 0.000 0.190 215 N C 1.950 177.515 175.510 0.092 0.000 1.030 215 N CA 1.726 54.849 53.050 0.122 0.000 0.849 215 N CB -0.566 37.980 38.487 0.099 0.000 1.012 215 N HN 0.459 nan 8.380 nan 0.000 0.423 216 A N 0.382 123.280 122.820 0.130 0.000 1.908 216 A HA -0.229 4.091 4.320 0.000 0.000 0.218 216 A C 2.125 179.728 177.584 0.031 0.000 1.181 216 A CA 1.983 54.076 52.037 0.093 0.000 0.627 216 A CB -0.996 18.122 19.000 0.196 0.000 0.818 216 A HN 0.478 nan 8.150 nan 0.000 0.445 217 H N -0.277 118.764 119.070 -0.049 0.000 2.321 217 H HA 0.061 4.617 4.556 0.000 0.000 0.300 217 H C 2.234 177.476 175.328 -0.143 0.000 1.087 217 H CA 1.958 57.886 56.048 -0.199 0.000 1.319 217 H CB -0.272 29.224 29.762 -0.444 0.000 1.379 217 H HN 0.397 nan 8.280 nan 0.000 0.501 218 A N -0.216 122.627 122.820 0.038 0.000 1.883 218 A HA -0.210 4.110 4.320 0.000 0.000 0.217 218 A C 2.734 180.301 177.584 -0.028 0.000 1.186 218 A CA 1.603 53.668 52.037 0.046 0.000 0.624 218 A CB -1.296 17.767 19.000 0.105 0.000 0.822 218 A HN 0.657 nan 8.150 nan 0.000 0.444 219 C N -1.306 117.996 119.300 0.003 0.000 2.422 219 C HA -0.054 4.406 4.460 0.000 0.000 0.279 219 C C 2.802 177.765 174.990 -0.045 0.000 1.305 219 C CA 1.187 60.246 59.018 0.068 0.000 1.757 219 C CB -1.383 26.429 27.740 0.120 0.000 1.962 219 C HN 0.735 nan 8.230 nan 0.000 0.499 220 R N -0.102 120.271 120.500 -0.213 0.000 2.073 220 R HA -0.131 4.209 4.340 0.000 0.000 0.234 220 R C 2.269 178.358 176.300 -0.351 0.000 1.134 220 R CA 1.585 57.478 56.100 -0.345 0.000 0.952 220 R CB -0.448 29.546 30.300 -0.511 0.000 0.850 220 R HN 0.597 nan 8.270 nan 0.000 0.433 221 H N 0.611 119.540 119.070 -0.236 0.000 2.353 221 H HA -0.097 4.460 4.556 0.000 0.000 0.300 221 H C 2.192 177.495 175.328 -0.041 0.000 1.090 221 H CA 1.657 57.614 56.048 -0.150 0.000 1.327 221 H CB -0.226 29.451 29.762 -0.141 0.000 1.383 221 H HN 0.252 nan 8.280 nan 0.000 0.508 222 L N -0.199 120.983 121.223 -0.068 0.000 2.131 222 L HA -0.085 4.255 4.340 0.000 0.000 0.210 222 L C 2.739 179.435 176.870 -0.289 0.000 1.092 222 L CA 1.066 55.679 54.840 -0.379 0.000 0.759 222 L CB -0.753 40.694 42.059 -1.020 0.000 0.903 222 L HN 0.301 nan 8.230 nan 0.000 0.435 223 G N -0.216 108.552 108.800 -0.052 0.000 2.408 223 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 223 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 223 G C 1.405 176.384 174.900 0.132 0.000 1.150 223 G CA 0.429 45.680 45.100 0.252 0.000 0.776 223 G HN 0.305 nan 8.290 nan 0.000 0.542 224 N N 0.092 118.763 118.700 -0.048 0.000 2.188 224 N HA -0.083 4.657 4.740 0.000 0.000 0.184 224 N C 1.841 177.261 175.510 -0.151 0.000 1.018 224 N CA 0.818 53.786 53.050 -0.137 0.000 0.858 224 N CB -0.322 38.023 38.487 -0.236 0.000 0.989 224 N HN 0.572 nan 8.380 nan 0.000 0.426 225 W N 1.616 122.867 121.300 -0.082 0.000 2.388 225 W HA 0.056 4.716 4.660 0.000 0.000 0.294 225 W C 2.490 178.985 176.519 -0.040 0.000 1.212 225 W CA 1.126 58.420 57.345 -0.084 0.000 1.271 225 W CB -0.391 28.973 29.460 -0.160 0.000 1.126 225 W HN 0.030 nan 8.180 nan 0.000 0.535 226 A N -0.175 122.769 122.820 0.207 0.000 1.908 226 A HA -0.175 4.145 4.320 0.000 0.000 0.218 226 A C 1.991 179.664 177.584 0.148 0.000 1.181 226 A CA 2.134 54.308 52.037 0.229 0.000 0.627 226 A CB -1.083 18.150 19.000 0.388 0.000 0.818 226 A HN 0.098 nan 8.150 nan 0.000 0.445 227 V N -0.330 119.655 119.914 0.119 0.000 2.270 227 V HA -0.199 3.921 4.120 0.000 0.000 0.245 227 V C 3.077 179.156 176.094 -0.025 0.000 1.043 227 V CA 1.891 64.204 62.300 0.022 0.000 1.014 227 V CB -1.225 30.616 31.823 0.029 0.000 0.645 227 V HN 0.608 nan 8.190 nan 0.000 0.447 228 A N -0.268 122.526 122.820 -0.043 0.000 1.940 228 A HA -0.165 4.155 4.320 0.000 0.000 0.219 228 A C 2.187 179.790 177.584 0.033 0.000 1.176 228 A CA 1.847 53.848 52.037 -0.059 0.000 0.631 228 A CB -0.539 18.339 19.000 -0.203 0.000 0.814 228 A HN 0.522 nan 8.150 nan 0.000 0.446 229 L N -1.191 120.092 121.223 0.100 0.000 2.156 229 L HA -0.099 4.241 4.340 0.000 0.000 0.208 229 L C 2.683 179.616 176.870 0.105 0.000 1.095 229 L CA 1.502 56.418 54.840 0.127 0.000 0.770 229 L CB -0.918 41.240 42.059 0.164 0.000 0.914 229 L HN 0.310 nan 8.230 nan 0.000 0.439 230 T N 0.227 114.834 114.554 0.088 0.000 2.746 230 T HA -0.151 4.199 4.350 0.000 0.000 0.267 230 T C 2.056 176.861 174.700 0.174 0.000 1.039 230 T CA 1.377 63.539 62.100 0.104 0.000 1.142 230 T CB -0.140 68.737 68.868 0.016 0.000 0.866 230 T HN 0.435 nan 8.240 nan 0.000 0.444 231 A N 1.208 124.095 122.820 0.111 0.000 1.902 231 A HA -0.004 4.316 4.320 0.000 0.000 0.217 231 A C 2.198 179.896 177.584 0.190 0.000 1.181 231 A CA 1.190 53.353 52.037 0.209 0.000 0.623 231 A CB -0.782 18.275 19.000 0.095 0.000 0.818 231 A HN 0.400 nan 8.150 nan 0.000 0.443 232 L N -0.828 120.467 121.223 0.120 0.000 2.201 232 L HA -0.051 4.289 4.340 0.000 0.000 0.212 232 L C 2.153 179.078 176.870 0.092 0.000 1.105 232 L CA 1.596 56.491 54.840 0.093 0.000 0.775 232 L CB -0.604 41.501 42.059 0.076 0.000 0.913 232 L HN 0.381 nan 8.230 nan 0.000 0.440 233 L N -0.319 120.970 121.223 0.111 0.000 2.093 233 L HA -0.051 4.289 4.340 0.000 0.000 0.208 233 L C 2.461 179.389 176.870 0.097 0.000 1.085 233 L CA 1.965 56.862 54.840 0.095 0.000 0.755 233 L CB -0.925 41.200 42.059 0.110 0.000 0.904 233 L HN 0.236 nan 8.230 nan 0.000 0.435 234 A N -0.868 122.042 122.820 0.150 0.000 1.933 234 A HA -0.184 4.136 4.320 0.000 0.000 0.218 234 A C 2.118 179.723 177.584 0.036 0.000 1.175 234 A CA 1.656 53.745 52.037 0.086 0.000 0.628 234 A CB -0.563 18.503 19.000 0.110 0.000 0.814 234 A HN 0.621 nan 8.150 nan 0.000 0.444 235 E N -1.136 119.100 120.200 0.061 0.000 2.347 235 E HA -0.100 4.250 4.350 0.000 0.000 0.196 235 E C 1.490 178.104 176.600 0.023 0.000 1.008 235 E CA 0.827 57.248 56.400 0.036 0.000 0.852 235 E CB -0.207 29.521 29.700 0.047 0.000 0.783 235 E HN 0.680 nan 8.360 nan 0.000 0.505 236 C N -0.082 119.234 119.300 0.027 0.000 2.735 236 C HA 0.189 4.649 4.460 0.000 0.000 0.271 236 C C 1.707 176.700 174.990 0.006 0.000 1.281 236 C CA -0.067 58.960 59.018 0.014 0.000 1.719 236 C CB -0.095 27.652 27.740 0.013 0.000 2.024 236 C HN 0.314 nan 8.230 nan 0.000 0.566 237 L N -0.002 121.225 121.223 0.007 0.000 3.066 237 L HA 0.285 4.625 4.340 0.000 0.000 0.265 237 L C 0.355 177.216 176.870 -0.013 0.000 1.232 237 L CA -0.050 54.789 54.840 -0.002 0.000 1.031 237 L CB -0.272 41.790 42.059 0.004 0.000 1.379 237 L HN 0.241 nan 8.230 nan 0.000 0.563 238 R N 0.509 120.999 120.500 -0.017 0.000 3.416 238 R HA -0.154 4.186 4.340 0.000 0.000 0.263 238 R C 0.724 176.989 176.300 -0.058 0.000 1.053 238 R CA 0.423 56.505 56.100 -0.029 0.000 0.705 238 R CB -1.968 28.322 30.300 -0.017 0.000 1.124 238 R HN 0.504 nan 8.270 nan 0.000 0.444 239 G N 0.673 109.424 108.800 -0.082 0.000 2.491 239 G HA2 0.157 4.118 3.960 0.000 0.000 0.238 239 G HA3 0.157 4.118 3.960 0.000 0.000 0.238 239 G C 0.021 174.773 174.900 -0.246 0.000 1.277 239 G CA -0.521 44.485 45.100 -0.158 0.000 0.851 239 G HN 0.237 nan 8.290 nan 0.000 0.573 240 R N 0.694 121.017 120.500 -0.294 0.000 2.202 240 R HA 0.229 4.569 4.340 0.000 0.000 0.334 240 R C 1.565 177.551 176.300 -0.524 0.000 1.036 240 R CA 0.198 56.118 56.100 -0.300 0.000 0.878 240 R CB 0.858 31.046 30.300 -0.187 0.000 1.067 240 R HN 0.707 nan 8.270 nan 0.000 0.457 241 T N -1.179 113.111 114.554 -0.440 0.000 3.085 241 T HA -0.130 4.220 4.350 0.000 0.000 0.263 241 T C 1.411 175.958 174.700 -0.255 0.000 1.127 241 T CA 0.864 62.687 62.100 -0.462 0.000 1.103 241 T CB -0.033 68.715 68.868 -0.201 0.000 0.921 241 T HN 0.736 nan 8.240 nan 0.000 0.510 242 E N 1.782 121.871 120.200 -0.185 0.000 2.265 242 E HA -0.012 4.338 4.350 0.000 0.000 0.196 242 E C 2.202 178.771 176.600 -0.052 0.000 0.996 242 E CA 0.894 57.246 56.400 -0.080 0.000 0.832 242 E CB -0.545 29.123 29.700 -0.053 0.000 0.756 242 E HN 0.606 nan 8.360 nan 0.000 0.491 243 A N 0.734 123.475 122.820 -0.132 0.000 2.119 243 A HA -0.074 4.246 4.320 0.000 0.000 0.217 243 A C 0.954 178.665 177.584 0.211 0.000 1.153 243 A CA 0.587 52.612 52.037 -0.020 0.000 0.692 243 A CB -0.573 18.378 19.000 -0.081 0.000 0.799 243 A HN 0.487 nan 8.150 nan 0.000 0.458 244 W N -0.274 121.026 121.300 -0.001 0.000 3.239 244 W HA 0.600 5.261 4.660 0.000 0.000 0.368 244 W C 0.794 177.314 176.519 0.002 0.000 1.154 244 W CA -1.097 56.248 57.345 0.001 0.000 1.860 244 W CB -1.326 28.136 29.460 0.004 0.000 1.094 244 W HN 0.341 nan 8.180 nan 0.000 0.643 245 A N 0.855 123.785 122.820 0.184 0.000 2.498 245 A HA 0.428 4.748 4.320 0.000 0.000 0.239 245 A C 1.690 179.328 177.584 0.089 0.000 1.068 245 A CA 0.706 52.808 52.037 0.108 0.000 0.766 245 A CB 0.579 19.616 19.000 0.061 0.000 1.003 245 A HN 0.257 nan 8.150 nan 0.000 0.497 246 A N 2.513 125.374 122.820 0.068 0.000 1.978 246 A HA 0.100 4.420 4.320 0.000 0.000 0.220 246 A C 2.366 179.972 177.584 0.037 0.000 1.170 246 A CA 2.305 54.371 52.037 0.049 0.000 0.636 246 A CB -0.962 18.061 19.000 0.037 0.000 0.810 246 A HN 1.763 nan 8.150 nan 0.000 0.448 247 A N -0.295 122.545 122.820 0.033 0.000 1.940 247 A HA -0.092 4.228 4.320 0.000 0.000 0.219 247 A C 2.145 179.742 177.584 0.022 0.000 1.176 247 A CA 1.559 53.609 52.037 0.023 0.000 0.631 247 A CB -0.547 18.465 19.000 0.020 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.634 120.609 121.223 0.033 0.000 2.093 248 L HA -0.133 4.207 4.340 0.000 0.000 0.208 248 L C 2.824 179.710 176.870 0.027 0.000 1.085 248 L CA 1.292 56.151 54.840 0.032 0.000 0.755 248 L CB -0.348 41.740 42.059 0.048 0.000 0.904 248 L HN 0.344 nan 8.230 nan 0.000 0.435 249 S N -0.272 115.448 115.700 0.033 0.000 2.356 249 S HA -0.181 4.289 4.470 0.000 0.000 0.223 249 S C 1.479 176.083 174.600 0.007 0.000 1.032 249 S CA 1.349 59.565 58.200 0.027 0.000 1.005 249 S CB -0.279 62.941 63.200 0.032 0.000 0.867 249 S HN 0.446 nan 8.310 nan 0.000 0.449 250 D N 1.435 121.839 120.400 0.006 0.000 2.218 250 D HA -0.026 4.614 4.640 0.000 0.000 0.204 250 D C 1.685 177.974 176.300 -0.018 0.000 0.976 250 D CA 0.649 54.645 54.000 -0.007 0.000 0.853 250 D CB -0.271 40.529 40.800 -0.001 0.000 0.939 250 D HN 0.335 nan 8.370 nan 0.000 0.481 251 L N -0.572 120.643 121.223 -0.013 0.000 2.313 251 L HA 0.025 4.365 4.340 0.000 0.000 0.214 251 L C 1.522 178.369 176.870 -0.039 0.000 1.119 251 L CA 0.502 55.330 54.840 -0.020 0.000 0.809 251 L CB 0.171 42.225 42.059 -0.009 0.000 0.933 251 L HN -0.171 nan 8.230 nan 0.000 0.449 252 R N 0.691 121.164 120.500 -0.045 0.000 2.687 252 R HA 0.185 4.526 4.340 0.000 0.000 0.264 252 R C -2.198 174.026 176.300 -0.127 0.000 1.715 252 R CA -1.314 54.733 56.100 -0.089 0.000 1.633 252 R CB 0.886 31.176 30.300 -0.017 0.000 1.353 252 R HN -0.155 nan 8.270 nan 0.000 0.653 253 P HA -0.098 nan 4.420 nan 0.000 0.311 253 P C -0.659 176.563 177.300 -0.130 0.000 1.543 253 P CA 0.286 63.314 63.100 -0.119 0.000 0.766 253 P CB -0.362 31.282 31.700 -0.093 0.000 1.711 254 H N 0.805 119.876 119.070 0.001 0.000 2.899 254 H HA 0.081 4.637 4.556 0.000 0.000 0.303 254 H C -1.273 174.067 175.328 0.020 0.000 1.042 254 H CA -1.499 54.552 56.048 0.005 0.000 1.479 254 H CB 0.426 30.185 29.762 -0.005 0.000 1.493 254 H HN 0.087 nan 8.280 nan 0.000 0.534 255 P HA -0.178 nan 4.420 nan 0.000 0.216 255 P C 1.653 179.028 177.300 0.124 0.000 1.157 255 P CA 1.814 64.976 63.100 0.104 0.000 0.880 255 P CB 0.104 31.861 31.700 0.094 0.000 0.791 256 G N -0.553 108.339 108.800 0.153 0.000 2.422 256 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 256 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 256 G C 1.673 176.669 174.900 0.160 0.000 1.146 256 G CA 0.722 45.945 45.100 0.204 0.000 0.769 256 G HN 0.329 nan 8.290 nan 0.000 0.547 257 Q N 0.084 119.944 119.800 0.099 0.000 2.079 257 Q HA -0.057 4.283 4.340 0.000 0.000 0.200 257 Q C 2.466 178.497 176.000 0.051 0.000 0.974 257 Q CA 1.480 57.311 55.803 0.046 0.000 0.840 257 Q CB -0.188 28.592 28.738 0.070 0.000 0.898 257 Q HN 0.510 nan 8.270 nan 0.000 0.430 258 K N 0.169 120.611 120.400 0.069 0.000 2.057 258 K HA -0.226 4.094 4.320 0.000 0.000 0.207 258 K C 1.683 178.313 176.600 0.050 0.000 1.049 258 K CA 1.848 58.165 56.287 0.050 0.000 0.931 258 K CB -0.154 32.372 32.500 0.044 0.000 0.714 258 K HN 0.184 nan 8.250 nan 0.000 0.440 259 D N -0.009 120.438 120.400 0.077 0.000 2.097 259 D HA -0.108 4.532 4.640 0.000 0.000 0.195 259 D C 1.721 178.080 176.300 0.098 0.000 0.989 259 D CA 1.579 55.627 54.000 0.079 0.000 0.827 259 D CB -0.105 40.753 40.800 0.097 0.000 0.966 259 D HN 0.314 nan 8.370 nan 0.000 0.456 260 A N 0.604 123.520 122.820 0.159 0.000 1.883 260 A HA -0.028 4.292 4.320 0.000 0.000 0.217 260 A C 2.407 179.947 177.584 -0.074 0.000 1.186 260 A CA 2.566 54.668 52.037 0.109 0.000 0.624 260 A CB -1.192 17.782 19.000 -0.045 0.000 0.822 260 A HN 0.335 nan 8.150 nan 0.000 0.444 261 A N -0.281 122.492 122.820 -0.078 0.000 1.902 261 A HA 0.164 4.484 4.320 0.000 0.000 0.217 261 A C 2.514 180.070 177.584 -0.047 0.000 1.181 261 A CA 2.140 54.115 52.037 -0.103 0.000 0.623 261 A CB -1.030 17.968 19.000 -0.003 0.000 0.818 261 A HN 1.099 nan 8.150 nan 0.000 0.443 262 A N -0.206 122.609 122.820 -0.008 0.000 1.902 262 A HA -0.159 4.161 4.320 0.000 0.000 0.217 262 A C 2.232 179.808 177.584 -0.014 0.000 1.181 262 A CA 1.610 53.650 52.037 0.005 0.000 0.623 262 A CB -0.419 18.587 19.000 0.010 0.000 0.818 262 A HN 0.551 nan 8.150 nan 0.000 0.443 263 R N -0.680 119.800 120.500 -0.034 0.000 2.115 263 R HA 0.076 4.416 4.340 0.000 0.000 0.226 263 R C 1.981 178.229 176.300 -0.087 0.000 1.100 263 R CA 1.104 57.174 56.100 -0.050 0.000 0.980 263 R CB -0.396 29.882 30.300 -0.037 0.000 0.875 263 R HN 0.492 nan 8.270 nan 0.000 0.445 264 L N 0.153 121.270 121.223 -0.176 0.000 2.056 264 L HA -0.140 4.200 4.340 0.000 0.000 0.207 264 L C 2.524 179.380 176.870 -0.024 0.000 1.078 264 L CA 1.369 56.020 54.840 -0.316 0.000 0.749 264 L CB -0.310 41.175 42.059 -0.955 0.000 0.901 264 L HN 0.131 nan 8.230 nan 0.000 0.433 265 R N -0.103 120.440 120.500 0.071 0.000 2.091 265 R HA -0.167 4.173 4.340 0.000 0.000 0.238 265 R C 2.396 178.753 176.300 0.094 0.000 1.136 265 R CA 1.425 57.625 56.100 0.166 0.000 0.959 265 R CB -0.572 29.805 30.300 0.129 0.000 0.856 265 R HN 0.364 nan 8.270 nan 0.000 0.437 266 A N 1.353 124.196 122.820 0.039 0.000 1.902 266 A HA -0.157 4.163 4.320 0.000 0.000 0.217 266 A C 2.067 179.662 177.584 0.018 0.000 1.181 266 A CA 1.135 53.183 52.037 0.019 0.000 0.623 266 A CB -0.294 18.702 19.000 -0.006 0.000 0.818 266 A HN 0.109 nan 8.150 nan 0.000 0.443 267 R N -0.216 120.291 120.500 0.012 0.000 2.105 267 R HA -0.124 4.216 4.340 0.000 0.000 0.239 267 R C 1.884 178.215 176.300 0.051 0.000 1.135 267 R CA 1.764 57.871 56.100 0.012 0.000 0.967 267 R CB -1.386 28.911 30.300 -0.005 0.000 0.861 267 R HN 0.687 nan 8.270 nan 0.000 0.442 268 V N -0.791 119.183 119.914 0.101 0.000 3.514 268 V HA 0.128 4.248 4.120 0.000 0.000 0.301 268 V C 0.116 176.251 176.094 0.068 0.000 1.346 268 V CA -0.637 61.727 62.300 0.107 0.000 1.156 268 V CB -0.495 31.436 31.823 0.180 0.000 1.029 268 V HN -0.090 nan 8.190 nan 0.000 0.428 269 D N 1.421 121.852 120.400 0.052 0.000 2.450 269 D HA 0.432 5.072 4.640 0.000 0.000 0.247 269 D C 1.437 177.749 176.300 0.021 0.000 1.162 269 D CA 1.838 55.858 54.000 0.032 0.000 0.879 269 D CB 0.603 41.417 40.800 0.024 0.000 1.163 269 D HN 0.556 nan 8.370 nan 0.000 0.472 270 G N 2.446 111.254 108.800 0.013 0.000 2.195 270 G HA2 -0.261 3.699 3.960 0.000 0.000 0.246 270 G HA3 -0.261 3.699 3.960 0.000 0.000 0.246 270 G C 0.479 175.383 174.900 0.007 0.000 0.984 270 G CA 0.308 45.412 45.100 0.008 0.000 0.633 270 G HN 0.791 nan 8.290 nan 0.000 0.525 271 S N 0.149 115.855 115.700 0.011 0.000 2.565 271 S HA 0.653 5.123 4.470 0.000 0.000 0.276 271 S C 1.254 175.850 174.600 -0.006 0.000 1.326 271 S CA 0.833 59.038 58.200 0.009 0.000 1.045 271 S CB 1.309 64.520 63.200 0.019 0.000 0.918 271 S HN 1.621 nan 8.310 nan 0.000 0.505 272 A N 5.038 127.855 122.820 -0.005 0.000 2.470 272 A HA 0.337 4.657 4.320 0.000 0.000 0.251 272 A C 1.731 179.308 177.584 -0.011 0.000 1.245 272 A CA -0.364 51.667 52.037 -0.011 0.000 0.932 272 A CB 0.085 19.083 19.000 -0.004 0.000 1.037 272 A HN 0.721 nan 8.150 nan 0.000 0.522 273 R N -0.129 120.367 120.500 -0.008 0.000 2.237 273 R HA 0.101 4.441 4.340 0.000 0.000 0.195 273 R C 0.883 177.172 176.300 -0.020 0.000 0.956 273 R CA 0.989 57.085 56.100 -0.006 0.000 1.029 273 R CB -0.509 29.793 30.300 0.004 0.000 0.972 273 R HN 0.499 nan 8.270 nan 0.000 0.493 274 V N -1.081 118.812 119.914 -0.035 0.000 3.170 274 V HA 0.404 4.524 4.120 0.000 0.000 0.309 274 V C 0.541 176.582 176.094 -0.088 0.000 1.071 274 V CA -0.888 61.369 62.300 -0.070 0.000 1.063 274 V CB 1.708 33.476 31.823 -0.091 0.000 1.123 274 V HN -0.253 nan 8.190 nan 0.000 0.464 275 V N 3.406 123.255 119.914 -0.108 0.000 2.370 275 V HA 0.465 4.586 4.120 0.000 0.000 0.279 275 V C 0.992 176.981 176.094 -0.175 0.000 1.029 275 V CA -0.299 61.943 62.300 -0.097 0.000 0.870 275 V CB 0.806 32.623 31.823 -0.010 0.000 0.984 275 V HN 0.926 nan 8.190 nan 0.000 0.451 276 R N 1.442 121.751 120.500 -0.318 0.000 2.334 276 R HA 0.191 4.531 4.340 0.000 0.000 0.212 276 R C -0.088 176.062 176.300 -0.249 0.000 0.897 276 R CA -0.175 55.759 56.100 -0.277 0.000 1.056 276 R CB 0.210 30.359 30.300 -0.252 0.000 1.046 276 R HN 0.788 nan 8.270 nan 0.000 0.513 277 H N -0.036 119.009 119.070 -0.042 0.000 2.815 277 H HA 0.085 4.641 4.556 0.000 0.000 0.350 277 H C -0.148 175.158 175.328 -0.036 0.000 1.080 277 H CA -0.264 55.764 56.048 -0.033 0.000 1.433 277 H CB 0.761 30.506 29.762 -0.028 0.000 1.432 277 H HN -0.221 nan 8.280 nan 0.000 0.592 278 V N 5.260 125.228 119.914 0.089 0.000 2.408 278 V HA -0.029 4.091 4.120 0.000 0.000 0.267 278 V C 1.804 177.924 176.094 0.043 0.000 1.047 278 V CA -0.061 62.263 62.300 0.040 0.000 0.937 278 V CB 0.079 31.916 31.823 0.024 0.000 0.999 278 V HN 0.833 nan 8.190 nan 0.000 0.472 279 I N 3.353 123.939 120.570 0.026 0.000 2.335 279 I HA -0.127 4.043 4.170 0.000 0.000 0.251 279 I C 2.102 178.222 176.117 0.004 0.000 1.129 279 I CA 1.958 63.264 61.300 0.011 0.000 1.402 279 I CB -0.279 37.722 38.000 0.001 0.000 1.069 279 I HN 0.564 nan 8.210 nan 0.000 0.424 280 A N 0.967 123.790 122.820 0.006 0.000 2.178 280 A HA -0.120 4.200 4.320 0.000 0.000 0.218 280 A C 2.151 179.737 177.584 0.004 0.000 1.157 280 A CA 1.223 53.262 52.037 0.004 0.000 0.689 280 A CB -0.536 18.466 19.000 0.005 0.000 0.787 280 A HN 0.521 nan 8.150 nan 0.000 0.465 281 E N 0.031 120.236 120.200 0.008 0.000 2.150 281 E HA -0.114 4.236 4.350 0.000 0.000 0.193 281 E C 1.177 177.777 176.600 -0.001 0.000 0.985 281 E CA 0.267 56.672 56.400 0.008 0.000 0.814 281 E CB -0.222 29.490 29.700 0.019 0.000 0.752 281 E HN 0.629 nan 8.360 nan 0.000 0.466 282 R N 1.722 122.217 120.500 -0.008 0.000 2.401 282 R HA 0.062 4.402 4.340 0.000 0.000 0.299 282 R C -0.387 175.905 176.300 -0.013 0.000 1.064 282 R CA 0.032 56.121 56.100 -0.017 0.000 1.000 282 R CB 0.361 30.643 30.300 -0.030 0.000 0.973 282 R HN -0.120 nan 8.270 nan 0.000 0.438 283 R N 5.175 125.667 120.500 -0.013 0.000 2.229 283 R HA 0.278 4.619 4.340 0.000 0.000 0.328 283 R C -0.410 175.882 176.300 -0.013 0.000 1.009 283 R CA -0.531 55.563 56.100 -0.010 0.000 0.864 283 R CB 1.086 31.381 30.300 -0.008 0.000 1.085 283 R HN 0.467 nan 8.270 nan 0.000 0.453 284 L N 2.883 124.099 121.223 -0.012 0.000 2.399 284 L HA 0.336 4.677 4.340 0.000 0.000 0.266 284 L C 0.178 177.042 176.870 -0.010 0.000 1.114 284 L CA -0.518 54.314 54.840 -0.012 0.000 0.804 284 L CB 0.888 42.941 42.059 -0.011 0.000 1.146 284 L HN 0.683 nan 8.230 nan 0.000 0.451 285 D N 0.813 121.206 120.400 -0.011 0.000 2.533 285 D HA 0.424 5.064 4.640 0.000 0.000 0.247 285 D C 0.548 176.843 176.300 -0.009 0.000 1.056 285 D CA -0.336 53.658 54.000 -0.009 0.000 1.054 285 D CB 1.303 42.098 40.800 -0.009 0.000 1.400 285 D HN 0.424 nan 8.370 nan 0.000 0.533 286 A N 0.096 122.911 122.820 -0.007 0.000 1.927 286 A HA -0.044 4.277 4.320 0.000 0.000 0.220 286 A C 2.036 179.615 177.584 -0.008 0.000 1.185 286 A CA 2.463 54.495 52.037 -0.007 0.000 0.639 286 A CB -1.693 17.304 19.000 -0.006 0.000 0.820 286 A HN 0.729 nan 8.150 nan 0.000 0.451 287 G N -1.033 107.761 108.800 -0.009 0.000 2.509 287 G HA2 -0.131 3.829 3.960 0.000 0.000 0.218 287 G HA3 -0.131 3.829 3.960 0.000 0.000 0.218 287 G C 0.953 175.847 174.900 -0.011 0.000 1.124 287 G CA 1.043 46.137 45.100 -0.009 0.000 0.776 287 G HN 0.535 nan 8.290 nan 0.000 0.547 288 D N 0.233 120.626 120.400 -0.012 0.000 2.333 288 D HA 0.023 4.663 4.640 0.000 0.000 0.208 288 D C 0.890 177.183 176.300 -0.012 0.000 0.984 288 D CA -0.026 53.966 54.000 -0.014 0.000 0.873 288 D CB 0.440 41.230 40.800 -0.016 0.000 0.935 288 D HN 0.136 nan 8.370 nan 0.000 0.521 289 I N 1.667 122.232 120.570 -0.010 0.000 2.494 289 I HA 0.302 4.472 4.170 0.000 0.000 0.289 289 I C 1.289 177.401 176.117 -0.008 0.000 1.106 289 I CA 0.655 61.949 61.300 -0.009 0.000 1.369 289 I CB 0.043 38.038 38.000 -0.007 0.000 1.410 289 I HN -0.050 nan 8.210 nan 0.000 0.523 290 G N 5.306 114.101 108.800 -0.009 0.000 2.336 290 G HA2 0.202 4.162 3.960 0.000 0.000 0.286 290 G HA3 0.202 4.162 3.960 0.000 0.000 0.286 290 G C -1.182 173.712 174.900 -0.009 0.000 1.269 290 G CA -0.624 44.471 45.100 -0.008 0.000 0.873 290 G HN 0.330 nan 8.290 nan 0.000 0.494 291 T N 1.963 116.512 114.554 -0.009 0.000 2.744 291 T HA 0.544 4.894 4.350 0.000 0.000 0.291 291 T C -0.182 174.512 174.700 -0.011 0.000 0.957 291 T CA -0.217 61.877 62.100 -0.009 0.000 1.002 291 T CB 1.276 70.139 68.868 -0.008 0.000 0.919 291 T HN 0.419 nan 8.240 nan 0.000 0.468 292 E N 3.219 123.412 120.200 -0.012 0.000 2.283 292 E HA 0.202 4.552 4.350 0.000 0.000 0.267 292 E C -1.350 175.242 176.600 -0.013 0.000 1.045 292 E CA -2.030 54.362 56.400 -0.014 0.000 0.884 292 E CB 0.805 30.496 29.700 -0.016 0.000 1.106 292 E HN 0.334 nan 8.360 nan 0.000 0.408 293 P HA -0.158 nan 4.420 nan 0.000 0.216 293 P C -0.513 176.780 177.300 -0.013 0.000 1.153 293 P CA 1.494 64.586 63.100 -0.013 0.000 0.858 293 P CB 0.303 31.995 31.700 -0.013 0.000 0.789 294 E N -1.745 118.447 120.200 -0.014 0.000 2.393 294 E HA 0.603 4.953 4.350 0.000 0.000 0.273 294 E C -0.950 175.643 176.600 -0.012 0.000 0.918 294 E CA -1.196 55.196 56.400 -0.013 0.000 0.773 294 E CB 1.939 31.631 29.700 -0.013 0.000 1.275 294 E HN -0.096 nan 8.360 nan 0.000 0.451 295 A N 0.515 123.329 122.820 -0.010 0.000 2.406 295 A HA 0.395 4.716 4.320 0.000 0.000 0.243 295 A C 1.179 178.759 177.584 -0.006 0.000 1.082 295 A CA 0.404 52.437 52.037 -0.006 0.000 0.786 295 A CB 0.028 19.026 19.000 -0.002 0.000 1.029 295 A HN 0.787 nan 8.150 nan 0.000 0.495 296 G N -0.472 108.326 108.800 -0.004 0.000 2.848 296 G HA2 0.269 4.229 3.960 0.000 0.000 0.208 296 G HA3 0.269 4.229 3.960 0.000 0.000 0.208 296 G C 0.455 175.352 174.900 -0.005 0.000 1.152 296 G CA 0.401 45.498 45.100 -0.005 0.000 0.789 296 G HN 0.731 nan 8.290 nan 0.000 0.531 297 Q N 0.067 119.869 119.800 0.003 0.000 2.421 297 Q HA 0.308 4.648 4.340 0.000 0.000 0.280 297 Q C -1.457 174.553 176.000 0.016 0.000 1.085 297 Q CA -1.047 54.761 55.803 0.008 0.000 0.807 297 Q CB 2.029 30.787 28.738 0.033 0.000 1.405 297 Q HN 0.023 nan 8.270 nan 0.000 0.419 298 D N 0.682 121.089 120.400 0.013 0.000 2.377 298 D HA 0.358 4.998 4.640 0.000 0.000 0.245 298 D C -0.145 176.209 176.300 0.089 0.000 1.196 298 D CA -0.067 53.950 54.000 0.027 0.000 0.962 298 D CB 0.825 41.628 40.800 0.005 0.000 1.127 298 D HN 0.623 nan 8.370 nan 0.000 0.471 299 A N 0.420 123.286 122.820 0.076 0.000 2.386 299 A HA 0.012 4.332 4.320 0.000 0.000 0.246 299 A C 0.678 178.408 177.584 0.243 0.000 1.089 299 A CA -0.098 51.992 52.037 0.089 0.000 0.790 299 A CB -0.081 18.932 19.000 0.022 0.000 1.042 299 A HN 0.536 nan 8.150 nan 0.000 0.497 300 Y N 0.896 121.213 120.300 0.027 0.000 2.207 300 Y HA -0.207 4.343 4.550 0.000 0.000 0.287 300 Y C 2.943 178.877 175.900 0.056 0.000 1.156 300 Y CA 1.642 59.765 58.100 0.038 0.000 1.182 300 Y CB -1.378 37.096 38.460 0.023 0.000 0.979 300 Y HN 0.739 nan 8.280 nan 0.000 0.521 301 S N -0.902 114.927 115.700 0.214 0.000 2.493 301 S HA -0.134 4.336 4.470 0.000 0.000 0.243 301 S C 1.808 176.511 174.600 0.172 0.000 0.991 301 S CA 1.250 59.541 58.200 0.152 0.000 0.957 301 S CB -0.590 62.675 63.200 0.108 0.000 0.756 301 S HN 0.459 nan 8.310 nan 0.000 0.521 302 L N -0.366 120.978 121.223 0.202 0.000 2.588 302 L HA 0.356 4.696 4.340 0.000 0.000 0.194 302 L C 2.714 179.797 176.870 0.355 0.000 1.070 302 L CA 0.183 55.191 54.840 0.280 0.000 0.852 302 L CB -0.219 41.943 42.059 0.172 0.000 1.199 302 L HN 0.145 nan 8.230 nan 0.000 0.486 303 R N -0.023 120.605 120.500 0.213 0.000 2.096 303 R HA -0.143 4.197 4.340 0.000 0.000 0.235 303 R C 1.460 177.861 176.300 0.168 0.000 1.127 303 R CA 1.807 58.008 56.100 0.168 0.000 0.968 303 R CB -0.189 30.173 30.300 0.104 0.000 0.861 303 R HN 0.403 nan 8.270 nan 0.000 0.440 304 C N 0.230 119.585 119.300 0.092 0.000 2.688 304 C HA 0.444 4.904 4.460 0.000 0.000 0.297 304 C C 2.066 177.061 174.990 0.009 0.000 1.308 304 C CA -0.418 58.591 59.018 -0.015 0.000 1.726 304 C CB -0.389 27.239 27.740 -0.186 0.000 1.982 304 C HN 0.609 nan 8.230 nan 0.000 0.604 305 A N 2.668 125.537 122.820 0.081 0.000 1.908 305 A HA -0.091 4.229 4.320 0.000 0.000 0.218 305 A C 0.021 177.514 177.584 -0.153 0.000 1.181 305 A CA 1.767 53.785 52.037 -0.032 0.000 0.627 305 A CB -1.521 17.460 19.000 -0.031 0.000 0.818 305 A HN 0.418 nan 8.150 nan 0.000 0.445 306 P HA -0.153 nan 4.420 nan 0.000 0.215 306 P C 1.264 178.481 177.300 -0.139 0.000 1.153 306 P CA 1.496 64.493 63.100 -0.171 0.000 0.853 306 P CB -0.047 31.600 31.700 -0.088 0.000 0.788 307 Q N -0.975 118.766 119.800 -0.097 0.000 2.083 307 Q HA -0.074 4.266 4.340 0.000 0.000 0.198 307 Q C 2.129 178.039 176.000 -0.149 0.000 0.969 307 Q CA 1.213 56.956 55.803 -0.101 0.000 0.838 307 Q CB -1.340 27.348 28.738 -0.084 0.000 0.900 307 Q HN 0.094 nan 8.270 nan 0.000 0.436 308 V N 0.272 120.094 119.914 -0.154 0.000 2.283 308 V HA -0.194 3.926 4.120 0.000 0.000 0.243 308 V C 2.084 178.018 176.094 -0.267 0.000 1.039 308 V CA 1.418 63.616 62.300 -0.171 0.000 1.016 308 V CB -0.586 31.165 31.823 -0.120 0.000 0.650 308 V HN 0.300 nan 8.190 nan 0.000 0.449 309 L N 0.586 121.599 121.223 -0.350 0.000 2.046 309 L HA -0.101 4.239 4.340 0.000 0.000 0.208 309 L C 2.676 178.992 176.870 -0.922 0.000 1.077 309 L CA 1.802 56.237 54.840 -0.675 0.000 0.747 309 L CB -1.242 40.403 42.059 -0.691 0.000 0.896 309 L HN 0.488 nan 8.230 nan 0.000 0.432 310 G N -0.335 108.152 108.800 -0.522 0.000 2.440 310 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 310 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 310 G C 1.761 176.554 174.900 -0.178 0.000 1.154 310 G CA 0.861 45.794 45.100 -0.279 0.000 0.767 310 G HN 0.479 nan 8.290 nan 0.000 0.552 311 A N 0.730 123.424 122.820 -0.210 0.000 1.930 311 A HA 0.208 4.528 4.320 0.000 0.000 0.217 311 A C 2.681 180.200 177.584 -0.109 0.000 1.175 311 A CA 1.969 53.904 52.037 -0.170 0.000 0.627 311 A CB -0.898 17.991 19.000 -0.185 0.000 0.815 311 A HN 0.503 nan 8.150 nan 0.000 0.443 312 G N -1.118 107.583 108.800 -0.164 0.000 2.408 312 G HA2 -0.094 3.866 3.960 0.000 0.000 0.217 312 G HA3 -0.094 3.866 3.960 0.000 0.000 0.217 312 G C 1.283 176.268 174.900 0.143 0.000 1.150 312 G CA 0.982 46.036 45.100 -0.075 0.000 0.776 312 G HN 0.372 nan 8.290 nan 0.000 0.542 313 F N 1.734 121.687 119.950 0.005 0.000 2.186 313 F HA 0.041 4.568 4.527 0.000 0.000 0.299 313 F C 2.297 178.122 175.800 0.041 0.000 1.090 313 F CA 0.373 58.389 58.000 0.026 0.000 1.307 313 F CB -0.634 38.375 39.000 0.015 0.000 1.019 313 F HN 0.116 nan 8.300 nan 0.000 0.489 314 D N -0.572 119.956 120.400 0.213 0.000 2.219 314 D HA -0.102 4.539 4.640 0.000 0.000 0.205 314 D C 2.190 178.598 176.300 0.181 0.000 0.970 314 D CA 1.372 55.464 54.000 0.154 0.000 0.851 314 D CB -0.339 40.501 40.800 0.066 0.000 0.943 314 D HN 0.206 nan 8.370 nan 0.000 0.488 315 T N 1.138 115.791 114.554 0.164 0.000 2.777 315 T HA -0.110 4.240 4.350 0.000 0.000 0.266 315 T C 1.906 176.773 174.700 0.278 0.000 1.040 315 T CA 0.363 62.597 62.100 0.224 0.000 1.141 315 T CB -0.194 68.758 68.868 0.140 0.000 0.868 315 T HN 0.044 nan 8.240 nan 0.000 0.444 316 L N 1.526 122.871 121.223 0.203 0.000 2.083 316 L HA 0.125 4.465 4.340 0.000 0.000 0.209 316 L C 2.559 179.546 176.870 0.194 0.000 1.083 316 L CA 1.686 56.619 54.840 0.156 0.000 0.752 316 L CB -0.995 41.137 42.059 0.122 0.000 0.899 316 L HN 0.213 nan 8.230 nan 0.000 0.433 317 A N -1.207 121.730 122.820 0.196 0.000 1.902 317 A HA -0.272 4.049 4.320 0.000 0.000 0.217 317 A C 2.119 179.840 177.584 0.228 0.000 1.181 317 A CA 1.708 53.849 52.037 0.174 0.000 0.623 317 A CB -1.402 17.693 19.000 0.158 0.000 0.818 317 A HN 0.736 nan 8.150 nan 0.000 0.443 318 W N 0.357 121.716 121.300 0.099 0.000 2.379 318 W HA -0.180 4.480 4.660 0.000 0.000 0.307 318 W C 2.267 178.855 176.519 0.114 0.000 1.200 318 W CA 1.923 59.322 57.345 0.090 0.000 1.297 318 W CB -0.777 28.730 29.460 0.078 0.000 1.140 318 W HN 0.624 nan 8.180 nan 0.000 0.507 319 H N 0.176 119.185 119.070 -0.101 0.000 2.319 319 H HA -0.184 4.373 4.556 0.000 0.000 0.297 319 H C 1.362 176.570 175.328 -0.200 0.000 1.097 319 H CA 2.459 58.342 56.048 -0.275 0.000 1.285 319 H CB -0.554 29.165 29.762 -0.072 0.000 1.368 319 H HN 0.069 nan 8.280 nan 0.000 0.495 320 D N 0.147 120.594 120.400 0.079 0.000 2.178 320 D HA -0.065 4.575 4.640 0.000 0.000 0.202 320 D C 2.610 178.876 176.300 -0.057 0.000 0.974 320 D CA 0.560 54.575 54.000 0.027 0.000 0.841 320 D CB -0.199 40.660 40.800 0.098 0.000 0.953 320 D HN 0.387 nan 8.370 nan 0.000 0.478 321 R N 0.235 120.706 120.500 -0.048 0.000 2.066 321 R HA -0.049 4.291 4.340 0.000 0.000 0.232 321 R C 2.315 178.548 176.300 -0.111 0.000 1.131 321 R CA 0.748 56.828 56.100 -0.033 0.000 0.955 321 R CB -0.435 29.891 30.300 0.044 0.000 0.851 321 R HN 0.094 nan 8.270 nan 0.000 0.432 322 V N 1.457 121.220 119.914 -0.251 0.000 2.343 322 V HA -0.224 3.896 4.120 0.000 0.000 0.247 322 V C 2.230 178.169 176.094 -0.258 0.000 1.051 322 V CA 1.408 63.538 62.300 -0.284 0.000 1.036 322 V CB -0.451 31.080 31.823 -0.487 0.000 0.654 322 V HN 0.235 nan 8.190 nan 0.000 0.451 323 L N 0.060 121.092 121.223 -0.318 0.000 2.083 323 L HA -0.145 4.195 4.340 0.000 0.000 0.209 323 L C 2.441 179.220 176.870 -0.152 0.000 1.083 323 L CA 2.371 57.050 54.840 -0.268 0.000 0.752 323 L CB -1.013 40.839 42.059 -0.344 0.000 0.899 323 L HN 0.343 nan 8.230 nan 0.000 0.433 324 T N -0.114 114.377 114.554 -0.106 0.000 2.746 324 T HA -0.170 4.180 4.350 0.000 0.000 0.267 324 T C 1.969 176.645 174.700 -0.041 0.000 1.039 324 T CA 2.029 64.100 62.100 -0.049 0.000 1.142 324 T CB -0.308 68.574 68.868 0.023 0.000 0.866 324 T HN 0.323 nan 8.240 nan 0.000 0.444 325 I N 0.697 121.234 120.570 -0.055 0.000 2.179 325 I HA -0.167 4.003 4.170 0.000 0.000 0.242 325 I C 2.735 178.795 176.117 -0.094 0.000 1.088 325 I CA 1.347 62.611 61.300 -0.061 0.000 1.357 325 I CB -0.329 37.611 38.000 -0.099 0.000 1.051 325 I HN 0.209 nan 8.210 nan 0.000 0.409 326 E N 1.282 121.405 120.200 -0.130 0.000 2.058 326 E HA -0.266 4.084 4.350 0.000 0.000 0.194 326 E C 2.036 178.582 176.600 -0.090 0.000 0.997 326 E CA 1.390 57.717 56.400 -0.122 0.000 0.801 326 E CB -0.340 29.283 29.700 -0.129 0.000 0.746 326 E HN 0.302 nan 8.360 nan 0.000 0.450 327 L N 1.079 122.247 121.223 -0.092 0.000 2.042 327 L HA -0.138 4.202 4.340 0.000 0.000 0.210 327 L C 1.239 178.057 176.870 -0.087 0.000 1.076 327 L CA 1.906 56.694 54.840 -0.087 0.000 0.749 327 L CB -0.500 41.500 42.059 -0.099 0.000 0.893 327 L HN 0.167 nan 8.230 nan 0.000 0.432 328 N N -0.123 118.526 118.700 -0.086 0.000 2.314 328 N HA 0.189 4.929 4.740 0.000 0.000 0.200 328 N C 0.278 175.768 175.510 -0.032 0.000 1.135 328 N CA 0.618 53.630 53.050 -0.064 0.000 0.835 328 N CB 0.206 38.669 38.487 -0.041 0.000 0.989 328 N HN 0.437 nan 8.380 nan 0.000 0.478 329 A N 0.175 122.967 122.820 -0.046 0.000 2.261 329 A HA 0.601 4.921 4.320 0.000 0.000 0.323 329 A C -0.032 177.530 177.584 -0.038 0.000 1.107 329 A CA -0.406 51.604 52.037 -0.045 0.000 0.883 329 A CB 1.048 20.006 19.000 -0.069 0.000 1.251 329 A HN -0.037 nan 8.150 nan 0.000 0.502 330 V N 1.199 121.091 119.914 -0.037 0.000 2.311 330 V HA 0.313 4.433 4.120 0.000 0.000 0.275 330 V C 0.831 176.904 176.094 -0.034 0.000 1.022 330 V CA 0.373 62.657 62.300 -0.027 0.000 0.830 330 V CB 0.672 32.480 31.823 -0.024 0.000 1.012 330 V HN 1.027 nan 8.190 nan 0.000 0.452 331 T N -0.760 113.784 114.554 -0.017 0.000 3.186 331 T HA 0.213 4.563 4.350 0.000 0.000 0.257 331 T C 0.139 174.864 174.700 0.043 0.000 1.029 331 T CA -0.535 61.563 62.100 -0.004 0.000 0.916 331 T CB -0.357 68.518 68.868 0.012 0.000 1.041 331 T HN 0.526 nan 8.240 nan 0.000 0.562 332 D N 2.489 122.904 120.400 0.024 0.000 2.344 332 D HA 0.508 5.148 4.640 0.000 0.000 0.244 332 D C -0.093 176.231 176.300 0.040 0.000 1.134 332 D CA 0.058 54.086 54.000 0.048 0.000 0.930 332 D CB 0.536 41.344 40.800 0.013 0.000 1.175 332 D HN 0.335 nan 8.370 nan 0.000 0.437 333 N N 0.173 118.931 118.700 0.096 0.000 2.537 333 N HA 0.284 5.024 4.740 0.000 0.000 0.281 333 N C -2.913 172.637 175.510 0.066 0.000 1.097 333 N CA -1.313 51.770 53.050 0.056 0.000 0.964 333 N CB 1.864 40.518 38.487 0.279 0.000 1.588 333 N HN 0.023 nan 8.380 nan 0.000 0.511 334 P HA 0.345 nan 4.420 nan 0.000 0.289 334 P C -0.912 176.080 177.300 -0.513 0.000 1.299 334 P CA -0.428 62.404 63.100 -0.447 0.000 0.766 334 P CB 0.877 32.111 31.700 -0.776 0.000 1.226 335 V N -4.207 115.307 119.914 -0.666 0.000 3.078 335 V HA 0.633 4.753 4.120 0.000 0.000 0.311 335 V C -1.126 174.499 176.094 -0.782 0.000 1.138 335 V CA -0.943 61.000 62.300 -0.595 0.000 1.007 335 V CB 1.725 33.397 31.823 -0.252 0.000 1.045 335 V HN 0.232 nan 8.190 nan 0.000 0.432 336 F N 1.809 121.745 119.950 -0.023 0.000 2.359 336 F HA 0.618 5.145 4.527 0.000 0.000 0.369 336 F C -2.415 173.381 175.800 -0.008 0.000 1.084 336 F CA -2.489 55.505 58.000 -0.010 0.000 1.096 336 F CB 1.305 40.305 39.000 -0.001 0.000 1.335 336 F HN 0.288 nan 8.300 nan 0.000 0.457 337 P HA -0.045 nan 4.420 nan 0.000 0.257 337 P C -1.973 175.370 177.300 0.072 0.000 1.162 337 P CA -0.495 62.639 63.100 0.056 0.000 0.762 337 P CB 0.408 32.129 31.700 0.036 0.000 0.753 338 P HA -0.184 nan 4.420 nan 0.000 0.219 338 P C 0.854 178.174 177.300 0.034 0.000 1.146 338 P CA 1.355 64.481 63.100 0.044 0.000 0.808 338 P CB -0.088 31.631 31.700 0.031 0.000 0.779 339 D N -1.652 118.765 120.400 0.029 0.000 2.347 339 D HA 0.018 4.658 4.640 0.000 0.000 0.215 339 D C 1.434 177.751 176.300 0.028 0.000 0.976 339 D CA 0.942 54.956 54.000 0.023 0.000 0.884 339 D CB -1.236 39.574 40.800 0.017 0.000 0.915 339 D HN 0.173 nan 8.370 nan 0.000 0.526 340 G N 0.134 108.957 108.800 0.039 0.000 2.153 340 G HA2 -0.367 3.593 3.960 0.000 0.000 0.252 340 G HA3 -0.367 3.593 3.960 0.000 0.000 0.252 340 G C 1.192 176.116 174.900 0.039 0.000 0.994 340 G CA 1.080 46.207 45.100 0.044 0.000 0.698 340 G HN 0.630 nan 8.290 nan 0.000 0.521 341 S N -1.542 114.178 115.700 0.033 0.000 2.370 341 S HA 0.207 4.677 4.470 0.000 0.000 0.226 341 S C 1.184 175.804 174.600 0.034 0.000 1.033 341 S CA 1.816 60.033 58.200 0.028 0.000 1.011 341 S CB -0.304 62.908 63.200 0.020 0.000 0.852 341 S HN 2.019 nan 8.310 nan 0.000 0.457 342 V N -3.476 116.464 119.914 0.044 0.000 3.007 342 V HA 0.553 4.673 4.120 0.000 0.000 0.311 342 V C -2.531 173.613 176.094 0.082 0.000 1.120 342 V CA -2.197 60.136 62.300 0.054 0.000 0.980 342 V CB 1.270 33.120 31.823 0.045 0.000 1.033 342 V HN -0.136 nan 8.190 nan 0.000 0.429 343 P HA 0.166 nan 4.420 nan 0.000 0.216 343 P C 0.316 177.756 177.300 0.233 0.000 1.150 343 P CA 2.295 65.489 63.100 0.157 0.000 0.837 343 P CB 0.170 31.959 31.700 0.149 0.000 0.786 344 A N -2.173 120.730 122.820 0.139 0.000 2.597 344 A HA 0.626 4.946 4.320 0.000 0.000 0.292 344 A C -1.915 175.649 177.584 -0.033 0.000 1.057 344 A CA -0.549 51.485 52.037 -0.005 0.000 0.674 344 A CB 0.392 19.360 19.000 -0.054 0.000 1.278 344 A HN -0.049 nan 8.150 nan 0.000 0.416 345 L N 1.160 122.278 121.223 -0.177 0.000 2.362 345 L HA 0.606 4.946 4.340 0.000 0.000 0.271 345 L C -1.084 175.650 176.870 -0.227 0.000 1.002 345 L CA -0.722 54.063 54.840 -0.091 0.000 0.818 345 L CB 2.255 44.260 42.059 -0.089 0.000 1.298 345 L HN 0.855 nan 8.230 nan 0.000 0.420 346 H N 1.132 120.137 119.070 -0.108 0.000 2.505 346 H HA 0.754 5.310 4.556 0.000 0.000 0.338 346 H C 0.160 175.424 175.328 -0.107 0.000 1.057 346 H CA -0.182 55.802 56.048 -0.107 0.000 1.202 346 H CB 1.955 31.654 29.762 -0.105 0.000 1.466 346 H HN 0.739 nan 8.280 nan 0.000 0.499 347 G N 0.627 109.396 108.800 -0.053 0.000 2.793 347 G HA2 0.454 4.414 3.960 0.000 0.000 0.248 347 G HA3 0.454 4.414 3.960 0.000 0.000 0.248 347 G C -0.369 174.368 174.900 -0.272 0.000 1.198 347 G CA -0.313 44.713 45.100 -0.123 0.000 0.865 347 G HN 0.674 nan 8.290 nan 0.000 0.534 348 G N 0.059 108.585 108.800 -0.458 0.000 4.885 348 G HA2 0.312 4.272 3.960 0.000 0.000 0.263 348 G HA3 0.312 4.272 3.960 0.000 0.000 0.263 348 G C 0.143 174.462 174.900 -0.968 0.000 1.168 348 G CA -0.179 44.284 45.100 -1.061 0.000 0.906 348 G HN 0.258 nan 8.290 nan 0.000 0.575 349 N N 0.832 119.163 118.700 -0.615 0.000 2.571 349 N HA -0.023 4.717 4.740 0.000 0.000 0.189 349 N C 1.444 176.819 175.510 -0.226 0.000 1.154 349 N CA 0.225 53.080 53.050 -0.326 0.000 0.907 349 N CB -0.117 38.262 38.487 -0.180 0.000 0.977 349 N HN 0.628 nan 8.380 nan 0.000 0.449 350 F N -1.254 118.681 119.950 -0.026 0.000 2.789 350 F HA 0.343 4.870 4.527 0.000 0.000 0.300 350 F C 0.794 176.593 175.800 -0.002 0.000 1.132 350 F CA -0.817 57.173 58.000 -0.016 0.000 1.404 350 F CB -0.693 38.298 39.000 -0.016 0.000 1.114 350 F HN -0.168 nan 8.300 nan 0.000 0.584 351 M N 2.722 122.338 119.600 0.026 0.000 2.429 351 M HA 0.369 4.849 4.480 0.000 0.000 0.334 351 M C 0.963 177.316 176.300 0.088 0.000 1.560 351 M CA -0.584 54.784 55.300 0.113 0.000 1.291 351 M CB 0.132 32.717 32.600 -0.025 0.000 1.754 351 M HN 0.234 nan 8.290 nan 0.000 0.456 352 G N 3.382 112.249 108.800 0.111 0.000 3.452 352 G HA2 0.030 3.990 3.960 0.000 0.000 0.258 352 G HA3 0.030 3.990 3.960 0.000 0.000 0.258 352 G C 0.691 175.631 174.900 0.067 0.000 1.305 352 G CA -0.188 44.961 45.100 0.082 0.000 1.514 352 G HN 0.805 nan 8.290 nan 0.000 0.593 353 Q N 0.006 119.842 119.800 0.060 0.000 2.167 353 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 353 Q C 1.927 177.901 176.000 -0.044 0.000 0.970 353 Q CA 1.466 57.270 55.803 0.002 0.000 0.855 353 Q CB -0.124 28.591 28.738 -0.039 0.000 0.911 353 Q HN 0.726 nan 8.270 nan 0.000 0.438 354 H N -1.753 117.299 119.070 -0.031 0.000 2.321 354 H HA -0.063 4.493 4.556 0.000 0.000 0.300 354 H C 1.799 177.050 175.328 -0.127 0.000 1.087 354 H CA 1.754 57.757 56.048 -0.075 0.000 1.319 354 H CB -0.006 29.697 29.762 -0.098 0.000 1.379 354 H HN 0.068 nan 8.280 nan 0.000 0.501 355 V N 0.490 120.414 119.914 0.017 0.000 2.515 355 V HA -0.209 3.911 4.120 0.000 0.000 0.250 355 V C 2.457 178.543 176.094 -0.014 0.000 1.058 355 V CA 1.360 63.630 62.300 -0.050 0.000 1.064 355 V CB -0.862 30.942 31.823 -0.031 0.000 0.675 355 V HN 0.566 nan 8.190 nan 0.000 0.461 356 A N 0.066 122.892 122.820 0.010 0.000 1.858 356 A HA -0.143 4.177 4.320 0.000 0.000 0.216 356 A C 2.191 179.795 177.584 0.034 0.000 1.190 356 A CA 1.732 53.786 52.037 0.028 0.000 0.617 356 A CB -0.513 18.504 19.000 0.029 0.000 0.827 356 A HN 0.478 nan 8.150 nan 0.000 0.443 357 L N -0.052 121.183 121.223 0.021 0.000 2.093 357 L HA -0.153 4.187 4.340 0.000 0.000 0.208 357 L C 2.978 179.916 176.870 0.114 0.000 1.085 357 L CA 1.819 56.705 54.840 0.077 0.000 0.755 357 L CB -0.969 41.150 42.059 0.099 0.000 0.904 357 L HN 0.667 nan 8.230 nan 0.000 0.435 358 T N -4.590 109.938 114.554 -0.045 0.000 2.904 358 T HA -0.089 4.261 4.350 0.000 0.000 0.267 358 T C 2.027 176.826 174.700 0.164 0.000 1.059 358 T CA 1.235 63.270 62.100 -0.110 0.000 1.137 358 T CB -0.213 68.368 68.868 -0.479 0.000 0.879 358 T HN 0.123 nan 8.240 nan 0.000 0.467 359 S N 1.634 117.417 115.700 0.138 0.000 2.368 359 S HA -0.092 4.378 4.470 0.000 0.000 0.224 359 S C 1.864 176.532 174.600 0.113 0.000 1.029 359 S CA 1.191 59.488 58.200 0.163 0.000 0.988 359 S CB -0.520 62.750 63.200 0.118 0.000 0.838 359 S HN 0.521 nan 8.310 nan 0.000 0.462 360 D N 1.644 122.104 120.400 0.101 0.000 2.144 360 D HA 0.003 4.643 4.640 0.000 0.000 0.199 360 D C 2.109 178.465 176.300 0.094 0.000 0.984 360 D CA 1.158 55.208 54.000 0.084 0.000 0.834 360 D CB -0.396 40.447 40.800 0.073 0.000 0.955 360 D HN 0.374 nan 8.370 nan 0.000 0.465 361 A N 0.746 123.657 122.820 0.152 0.000 1.898 361 A HA -0.132 4.188 4.320 0.000 0.000 0.216 361 A C 2.151 179.809 177.584 0.122 0.000 1.181 361 A CA 0.935 53.079 52.037 0.177 0.000 0.620 361 A CB -0.673 18.554 19.000 0.378 0.000 0.819 361 A HN 0.241 nan 8.150 nan 0.000 0.442 362 L N -0.280 121.012 121.223 0.115 0.000 2.093 362 L HA 0.000 4.340 4.340 0.000 0.000 0.208 362 L C 2.625 179.486 176.870 -0.015 0.000 1.085 362 L CA 1.975 56.828 54.840 0.021 0.000 0.755 362 L CB -0.763 41.231 42.059 -0.107 0.000 0.904 362 L HN 0.340 nan 8.230 nan 0.000 0.435 363 A N -1.499 121.327 122.820 0.010 0.000 1.908 363 A HA -0.211 4.109 4.320 0.000 0.000 0.218 363 A C 2.264 179.827 177.584 -0.034 0.000 1.181 363 A CA 2.335 54.370 52.037 -0.004 0.000 0.627 363 A CB -1.186 17.828 19.000 0.024 0.000 0.818 363 A HN 0.498 nan 8.150 nan 0.000 0.445 364 T N 0.242 114.784 114.554 -0.019 0.000 2.708 364 T HA -0.001 4.349 4.350 0.000 0.000 0.266 364 T C 2.250 176.898 174.700 -0.087 0.000 1.037 364 T CA 1.575 63.651 62.100 -0.040 0.000 1.146 364 T CB -0.482 68.376 68.868 -0.016 0.000 0.865 364 T HN 0.605 nan 8.240 nan 0.000 0.435 365 A N 0.990 123.761 122.820 -0.082 0.000 1.908 365 A HA -0.074 4.246 4.320 0.000 0.000 0.218 365 A C 2.587 180.012 177.584 -0.264 0.000 1.181 365 A CA 1.441 53.400 52.037 -0.131 0.000 0.627 365 A CB -1.089 17.869 19.000 -0.070 0.000 0.818 365 A HN 0.352 nan 8.150 nan 0.000 0.445 366 V N -0.286 119.460 119.914 -0.279 0.000 2.343 366 V HA -0.221 3.899 4.120 0.000 0.000 0.247 366 V C 2.737 178.519 176.094 -0.521 0.000 1.051 366 V CA 2.454 64.451 62.300 -0.507 0.000 1.036 366 V CB -1.127 30.557 31.823 -0.232 0.000 0.654 366 V HN 0.627 nan 8.190 nan 0.000 0.451 367 T N -0.278 114.111 114.554 -0.275 0.000 2.821 367 T HA -0.141 4.209 4.350 0.000 0.000 0.267 367 T C 1.933 176.499 174.700 -0.222 0.000 1.046 367 T CA 1.490 63.468 62.100 -0.203 0.000 1.139 367 T CB -0.138 68.668 68.868 -0.105 0.000 0.871 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.198 120.978 119.914 -0.224 0.000 2.295 368 V HA -0.100 4.020 4.120 0.000 0.000 0.246 368 V C 2.404 178.356 176.094 -0.237 0.000 1.049 368 V CA 1.350 63.538 62.300 -0.187 0.000 1.024 368 V CB -0.560 31.168 31.823 -0.159 0.000 0.648 368 V HN 0.316 nan 8.190 nan 0.000 0.447 369 L N 0.320 121.311 121.223 -0.387 0.000 2.093 369 L HA -0.054 4.286 4.340 0.000 0.000 0.208 369 L C 2.540 179.183 176.870 -0.378 0.000 1.085 369 L CA 2.084 56.679 54.840 -0.407 0.000 0.755 369 L CB -1.144 40.547 42.059 -0.612 0.000 0.904 369 L HN 0.289 nan 8.230 nan 0.000 0.435 370 A N -0.632 121.824 122.820 -0.606 0.000 1.969 370 A HA -0.054 4.266 4.320 0.000 0.000 0.218 370 A C 2.418 179.968 177.584 -0.056 0.000 1.169 370 A CA 1.464 53.339 52.037 -0.270 0.000 0.635 370 A CB -1.203 17.658 19.000 -0.231 0.000 0.810 370 A HN 0.424 nan 8.150 nan 0.000 0.445 371 G N -0.068 108.673 108.800 -0.098 0.000 2.408 371 G HA2 -0.120 3.840 3.960 0.000 0.000 0.217 371 G HA3 -0.120 3.840 3.960 0.000 0.000 0.217 371 G C 1.477 176.375 174.900 -0.003 0.000 1.150 371 G CA 1.161 46.239 45.100 -0.037 0.000 0.776 371 G HN 0.515 nan 8.290 nan 0.000 0.542 372 L N 1.435 122.649 121.223 -0.013 0.000 2.017 372 L HA 0.135 4.475 4.340 0.000 0.000 0.208 372 L C 3.018 179.928 176.870 0.066 0.000 1.073 372 L CA 2.363 57.218 54.840 0.025 0.000 0.745 372 L CB -0.790 41.275 42.059 0.010 0.000 0.894 372 L HN 0.211 nan 8.230 nan 0.000 0.432 373 A N -0.852 122.031 122.820 0.106 0.000 1.902 373 A HA -0.235 4.085 4.320 0.000 0.000 0.217 373 A C 2.333 179.976 177.584 0.099 0.000 1.181 373 A CA 1.752 53.873 52.037 0.140 0.000 0.623 373 A CB -0.798 18.350 19.000 0.246 0.000 0.818 373 A HN 0.613 nan 8.150 nan 0.000 0.443 374 E N -0.035 120.215 120.200 0.084 0.000 2.077 374 E HA -0.196 4.154 4.350 0.000 0.000 0.193 374 E C 2.045 178.679 176.600 0.056 0.000 0.989 374 E CA 0.869 57.308 56.400 0.066 0.000 0.800 374 E CB -0.218 29.515 29.700 0.054 0.000 0.746 374 E HN 0.374 nan 8.360 nan 0.000 0.452 375 R N 0.368 120.898 120.500 0.050 0.000 2.148 375 R HA -0.044 4.296 4.340 0.000 0.000 0.227 375 R C 2.347 178.676 176.300 0.049 0.000 1.103 375 R CA 0.801 56.929 56.100 0.046 0.000 0.983 375 R CB -0.363 29.963 30.300 0.042 0.000 0.874 375 R HN 0.409 nan 8.270 nan 0.000 0.451 376 Q N -0.038 119.797 119.800 0.058 0.000 2.119 376 Q HA -0.028 4.312 4.340 0.000 0.000 0.201 376 Q C 2.161 178.185 176.000 0.040 0.000 0.972 376 Q CA 1.065 56.903 55.803 0.057 0.000 0.847 376 Q CB -0.056 28.725 28.738 0.073 0.000 0.903 376 Q HN 0.304 nan 8.270 nan 0.000 0.433 377 I N 0.594 121.188 120.570 0.040 0.000 2.202 377 I HA -0.250 3.921 4.170 0.000 0.000 0.242 377 I C 2.427 178.569 176.117 0.043 0.000 1.091 377 I CA 0.913 62.229 61.300 0.028 0.000 1.368 377 I CB -0.400 37.622 38.000 0.036 0.000 1.058 377 I HN 0.143 nan 8.210 nan 0.000 0.410 378 A N 0.833 123.686 122.820 0.054 0.000 1.940 378 A HA -0.259 4.061 4.320 0.000 0.000 0.219 378 A C 2.435 180.037 177.584 0.030 0.000 1.176 378 A CA 1.998 54.071 52.037 0.061 0.000 0.631 378 A CB -0.643 18.391 19.000 0.057 0.000 0.814 378 A HN 0.405 nan 8.150 nan 0.000 0.446 379 R N -0.921 119.590 120.500 0.019 0.000 2.062 379 R HA -0.037 4.303 4.340 0.000 0.000 0.229 379 R C 2.039 178.329 176.300 -0.017 0.000 1.128 379 R CA 1.428 57.529 56.100 0.001 0.000 0.960 379 R CB -0.442 29.865 30.300 0.013 0.000 0.855 379 R HN 0.383 nan 8.270 nan 0.000 0.432 380 L N 1.307 122.524 121.223 -0.010 0.000 2.127 380 L HA -0.122 4.218 4.340 0.000 0.000 0.211 380 L C 1.956 178.796 176.870 -0.050 0.000 1.089 380 L CA 2.494 57.319 54.840 -0.026 0.000 0.757 380 L CB -0.531 41.512 42.059 -0.026 0.000 0.899 380 L HN 0.477 nan 8.230 nan 0.000 0.434 381 T N -4.279 110.247 114.554 -0.046 0.000 3.107 381 T HA 0.037 4.387 4.350 0.000 0.000 0.249 381 T C 0.723 175.219 174.700 -0.340 0.000 1.096 381 T CA -0.114 61.930 62.100 -0.093 0.000 1.012 381 T CB -0.459 68.475 68.868 0.109 0.000 0.977 381 T HN 0.267 nan 8.240 nan 0.000 0.527 382 D N 2.654 122.920 120.400 -0.224 0.000 2.347 382 D HA 0.070 4.710 4.640 0.000 0.000 0.235 382 D C 1.306 177.483 176.300 -0.204 0.000 1.149 382 D CA -0.300 53.547 54.000 -0.256 0.000 0.850 382 D CB 1.285 42.018 40.800 -0.112 0.000 1.061 382 D HN 0.612 nan 8.370 nan 0.000 0.487 383 E N 3.245 123.297 120.200 -0.247 0.000 2.267 383 E HA -0.202 4.148 4.350 0.000 0.000 0.197 383 E C 1.067 177.618 176.600 -0.081 0.000 0.998 383 E CA 0.791 57.108 56.400 -0.138 0.000 0.830 383 E CB 0.083 29.715 29.700 -0.112 0.000 0.751 383 E HN 0.367 nan 8.360 nan 0.000 0.491 384 R N -0.020 120.433 120.500 -0.077 0.000 2.246 384 R HA 0.181 4.521 4.340 0.000 0.000 0.199 384 R C 1.744 178.019 176.300 -0.041 0.000 0.984 384 R CA 0.536 56.608 56.100 -0.046 0.000 1.015 384 R CB 0.197 30.476 30.300 -0.035 0.000 0.930 384 R HN 0.264 nan 8.270 nan 0.000 0.475 385 L N 0.002 121.195 121.223 -0.050 0.000 2.749 385 L HA 0.120 4.460 4.340 0.000 0.000 0.242 385 L C 0.589 177.438 176.870 -0.035 0.000 1.103 385 L CA -0.097 54.720 54.840 -0.038 0.000 0.906 385 L CB 0.176 42.215 42.059 -0.033 0.000 1.228 385 L HN 0.121 nan 8.230 nan 0.000 0.517 386 N N 0.877 119.549 118.700 -0.047 0.000 2.362 386 N HA -0.045 4.696 4.740 0.000 0.000 0.204 386 N C -0.004 175.489 175.510 -0.029 0.000 1.166 386 N CA -0.265 52.762 53.050 -0.039 0.000 0.831 386 N CB -0.220 38.236 38.487 -0.053 0.000 1.008 386 N HN 0.069 nan 8.380 nan 0.000 0.472 387 R N -0.450 120.034 120.500 -0.026 0.000 3.188 387 R HA -0.170 4.171 4.340 0.000 0.000 0.247 387 R C 0.780 177.070 176.300 -0.018 0.000 0.918 387 R CA 0.480 56.568 56.100 -0.020 0.000 0.629 387 R CB -2.117 28.174 30.300 -0.016 0.000 1.087 387 R HN 0.638 nan 8.270 nan 0.000 0.462 388 G N -0.895 107.893 108.800 -0.020 0.000 2.176 388 G HA2 -0.304 3.656 3.960 0.000 0.000 0.232 388 G HA3 -0.304 3.656 3.960 0.000 0.000 0.232 388 G C 0.251 175.140 174.900 -0.018 0.000 0.986 388 G CA 0.080 45.171 45.100 -0.016 0.000 0.643 388 G HN 0.278 nan 8.290 nan 0.000 0.522 389 L N 1.508 122.715 121.223 -0.025 0.000 2.418 389 L HA 0.436 4.776 4.340 0.000 0.000 0.265 389 L C -1.621 175.230 176.870 -0.030 0.000 1.143 389 L CA -2.075 52.748 54.840 -0.028 0.000 0.809 389 L CB 0.753 42.794 42.059 -0.029 0.000 1.124 389 L HN -0.094 nan 8.230 nan 0.000 0.456 390 P HA 0.043 nan 4.420 nan 0.000 0.267 390 P C -2.480 174.844 177.300 0.040 0.000 1.200 390 P CA -0.902 62.191 63.100 -0.012 0.000 0.772 390 P CB -0.178 31.401 31.700 -0.202 0.000 0.855 391 P HA -0.015 nan 4.420 nan 0.000 0.267 391 P C -0.242 177.099 177.300 0.069 0.000 1.209 391 P CA 0.342 63.382 63.100 -0.101 0.000 0.763 391 P CB -0.150 31.538 31.700 -0.020 0.000 0.816 392 F N 1.589 121.641 119.950 0.169 0.000 3.069 392 F HA -0.242 4.285 4.527 0.000 0.000 0.285 392 F C 1.295 177.278 175.800 0.305 0.000 0.827 392 F CA 0.334 58.460 58.000 0.210 0.000 1.108 392 F CB -2.647 36.466 39.000 0.189 0.000 1.252 392 F HN 0.274 nan 8.300 nan 0.000 0.483 393 L N -1.599 119.790 121.223 0.277 0.000 3.737 393 L HA -0.313 4.027 4.340 0.000 0.000 0.418 393 L C 1.299 178.330 176.870 0.269 0.000 1.216 393 L CA 1.045 56.026 54.840 0.234 0.000 0.915 393 L CB -1.961 40.242 42.059 0.240 0.000 1.834 393 L HN 0.694 nan 8.230 nan 0.000 0.943 394 H N 0.362 119.558 119.070 0.212 0.000 2.603 394 H HA 0.693 5.249 4.556 0.000 0.000 0.370 394 H C 0.255 175.641 175.328 0.098 0.000 1.225 394 H CA -0.544 55.587 56.048 0.138 0.000 1.410 394 H CB 0.932 30.766 29.762 0.119 0.000 1.495 394 H HN 0.295 nan 8.280 nan 0.000 0.602 395 R N -0.119 120.389 120.500 0.014 0.000 2.888 395 R HA 0.491 4.831 4.340 0.000 0.000 0.266 395 R C -0.330 176.064 176.300 0.157 0.000 1.020 395 R CA -0.254 55.831 56.100 -0.026 0.000 0.963 395 R CB 2.096 32.402 30.300 0.010 0.000 1.197 395 R HN 1.106 nan 8.270 nan 0.000 0.481 396 G N 1.385 110.254 108.800 0.115 0.000 2.796 396 G HA2 -0.176 3.784 3.960 0.000 0.000 0.571 396 G HA3 -0.176 3.784 3.960 0.000 0.000 0.571 396 G C -2.750 172.276 174.900 0.210 0.000 1.370 396 G CA -1.265 43.915 45.100 0.134 0.000 0.856 396 G HN 0.385 nan 8.290 nan 0.000 0.538 397 P HA 0.456 nan 4.420 nan 0.000 0.264 397 P C 0.432 177.758 177.300 0.043 0.000 1.193 397 P CA 0.812 63.974 63.100 0.102 0.000 0.763 397 P CB 0.733 32.460 31.700 0.046 0.000 0.810 398 A N 3.404 126.234 122.820 0.017 0.000 2.445 398 A HA 0.494 4.814 4.320 0.000 0.000 0.242 398 A C 1.566 179.045 177.584 -0.175 0.000 1.075 398 A CA 0.806 52.645 52.037 -0.330 0.000 0.777 398 A CB -0.893 18.020 19.000 -0.145 0.000 1.013 398 A HN 0.801 nan 8.150 nan 0.000 0.493 399 G N 0.181 108.861 108.800 -0.200 0.000 3.757 399 G HA2 -0.292 3.668 3.960 0.000 0.000 0.215 399 G HA3 -0.292 3.668 3.960 0.000 0.000 0.215 399 G C 1.111 175.962 174.900 -0.082 0.000 1.411 399 G CA 0.494 45.537 45.100 -0.094 0.000 0.896 399 G HN 0.828 nan 8.290 nan 0.000 0.581 400 L N 1.066 122.249 121.223 -0.067 0.000 2.093 400 L HA 0.127 4.467 4.340 0.000 0.000 0.208 400 L C 0.880 177.720 176.870 -0.050 0.000 1.085 400 L CA 0.999 55.813 54.840 -0.042 0.000 0.755 400 L CB -0.290 41.758 42.059 -0.019 0.000 0.904 400 L HN 0.321 nan 8.230 nan 0.000 0.435 401 N N -1.215 117.439 118.700 -0.077 0.000 2.362 401 N HA 0.191 4.931 4.740 0.000 0.000 0.298 401 N C -0.007 175.434 175.510 -0.116 0.000 1.048 401 N CA -0.094 52.923 53.050 -0.055 0.000 0.858 401 N CB 2.061 40.577 38.487 0.048 0.000 1.218 401 N HN -0.180 nan 8.380 nan 0.000 0.488 402 S N 0.149 115.818 115.700 -0.051 0.000 2.603 402 S HA 0.242 4.712 4.470 0.000 0.000 0.232 402 S C 1.280 175.920 174.600 0.066 0.000 1.016 402 S CA 0.025 58.204 58.200 -0.034 0.000 0.976 402 S CB 0.482 63.616 63.200 -0.111 0.000 0.921 402 S HN 0.922 nan 8.310 nan 0.000 0.516 403 G N 2.483 111.322 108.800 0.065 0.000 2.629 403 G HA2 -0.350 3.610 3.960 0.000 0.000 0.313 403 G HA3 -0.350 3.610 3.960 0.000 0.000 0.313 403 G C 0.266 175.076 174.900 -0.150 0.000 1.217 403 G CA 0.859 45.967 45.100 0.014 0.000 0.994 403 G HN 0.469 nan 8.290 nan 0.000 0.549 404 F N 1.305 121.346 119.950 0.152 0.000 2.664 404 F HA 0.469 4.996 4.527 0.000 0.000 0.301 404 F C 2.416 178.246 175.800 0.050 0.000 1.126 404 F CA 0.905 58.968 58.000 0.104 0.000 1.373 404 F CB 0.142 39.222 39.000 0.132 0.000 1.042 404 F HN 0.313 nan 8.300 nan 0.000 0.535 405 M N -0.029 119.571 119.600 0.000 0.000 2.149 405 M HA -0.129 4.351 4.480 0.000 0.000 0.261 405 M C 2.349 178.512 176.300 -0.229 0.000 1.064 405 M CA 2.158 57.180 55.300 -0.463 0.000 1.102 405 M CB -0.404 31.666 32.600 -0.885 0.000 1.369 405 M HN 0.316 nan 8.290 nan 0.000 0.408 406 G N -0.872 107.858 108.800 -0.118 0.000 2.394 406 G HA2 -0.079 3.881 3.960 0.000 0.000 0.214 406 G HA3 -0.079 3.881 3.960 0.000 0.000 0.214 406 G C 1.472 176.374 174.900 0.002 0.000 1.176 406 G CA 0.668 45.728 45.100 -0.067 0.000 0.786 406 G HN 0.598 nan 8.290 nan 0.000 0.533 407 A N -0.011 122.846 122.820 0.063 0.000 1.972 407 A HA -0.094 4.226 4.320 0.000 0.000 0.219 407 A C 2.256 179.907 177.584 0.112 0.000 1.169 407 A CA 2.015 54.120 52.037 0.113 0.000 0.635 407 A CB -0.391 18.746 19.000 0.228 0.000 0.810 407 A HN 0.394 nan 8.150 nan 0.000 0.446 408 Q N 0.036 119.915 119.800 0.132 0.000 2.079 408 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 408 Q C 2.050 178.099 176.000 0.082 0.000 0.974 408 Q CA 1.961 57.842 55.803 0.130 0.000 0.840 408 Q CB -0.232 28.634 28.738 0.213 0.000 0.898 408 Q HN 0.438 nan 8.270 nan 0.000 0.430 409 V N 0.528 120.469 119.914 0.045 0.000 2.515 409 V HA -0.188 3.932 4.120 0.000 0.000 0.250 409 V C 2.316 178.427 176.094 0.029 0.000 1.058 409 V CA 1.957 64.274 62.300 0.027 0.000 1.064 409 V CB -0.746 31.074 31.823 -0.005 0.000 0.675 409 V HN 0.370 nan 8.190 nan 0.000 0.461 410 T N 0.505 115.077 114.554 0.031 0.000 2.746 410 T HA -0.161 4.189 4.350 0.000 0.000 0.267 410 T C 2.084 176.807 174.700 0.037 0.000 1.039 410 T CA 1.594 63.712 62.100 0.030 0.000 1.142 410 T CB -0.369 68.518 68.868 0.030 0.000 0.866 410 T HN 0.571 nan 8.240 nan 0.000 0.444 411 A N 1.256 124.105 122.820 0.048 0.000 1.902 411 A HA -0.136 4.184 4.320 0.000 0.000 0.217 411 A C 2.550 180.164 177.584 0.049 0.000 1.181 411 A CA 2.109 54.177 52.037 0.052 0.000 0.623 411 A CB -1.211 17.823 19.000 0.058 0.000 0.818 411 A HN 0.477 nan 8.150 nan 0.000 0.443 412 T N 0.253 114.835 114.554 0.046 0.000 2.777 412 T HA 0.008 4.358 4.350 0.000 0.000 0.266 412 T C 2.230 176.949 174.700 0.031 0.000 1.040 412 T CA 1.500 63.623 62.100 0.039 0.000 1.141 412 T CB -0.447 68.444 68.868 0.039 0.000 0.868 412 T HN 0.600 nan 8.240 nan 0.000 0.444 413 A N 1.355 124.192 122.820 0.029 0.000 1.902 413 A HA -0.006 4.314 4.320 0.000 0.000 0.217 413 A C 2.302 179.901 177.584 0.026 0.000 1.181 413 A CA 1.233 53.284 52.037 0.023 0.000 0.623 413 A CB -0.869 18.143 19.000 0.019 0.000 0.818 413 A HN 0.477 nan 8.150 nan 0.000 0.443 414 L N -1.174 120.068 121.223 0.032 0.000 2.046 414 L HA -0.165 4.175 4.340 0.000 0.000 0.208 414 L C 2.571 179.463 176.870 0.037 0.000 1.077 414 L CA 1.193 56.055 54.840 0.037 0.000 0.747 414 L CB -0.562 41.525 42.059 0.046 0.000 0.896 414 L HN 0.475 nan 8.230 nan 0.000 0.432 415 L N 0.293 121.538 121.223 0.036 0.000 2.027 415 L HA -0.119 4.221 4.340 0.000 0.000 0.206 415 L C 2.673 179.553 176.870 0.016 0.000 1.074 415 L CA 1.977 56.832 54.840 0.026 0.000 0.745 415 L CB -0.739 41.334 42.059 0.024 0.000 0.898 415 L HN 0.133 nan 8.230 nan 0.000 0.433 416 A N -0.760 122.071 122.820 0.017 0.000 1.917 416 A HA -0.314 4.006 4.320 0.000 0.000 0.219 416 A C 2.342 179.934 177.584 0.013 0.000 1.182 416 A CA 2.058 54.103 52.037 0.013 0.000 0.633 416 A CB -0.816 18.193 19.000 0.014 0.000 0.819 416 A HN 0.653 nan 8.150 nan 0.000 0.448 417 E N -0.733 119.477 120.200 0.017 0.000 2.106 417 E HA -0.178 4.172 4.350 0.000 0.000 0.192 417 E C 2.060 178.670 176.600 0.017 0.000 0.984 417 E CA 1.254 57.664 56.400 0.017 0.000 0.806 417 E CB -0.201 29.511 29.700 0.020 0.000 0.750 417 E HN 0.686 nan 8.360 nan 0.000 0.458 418 M N 0.015 119.626 119.600 0.018 0.000 2.080 418 M HA -0.187 4.293 4.480 0.000 0.000 0.260 418 M C 2.345 178.649 176.300 0.007 0.000 1.068 418 M CA 1.609 56.917 55.300 0.015 0.000 1.109 418 M CB -0.256 32.349 32.600 0.009 0.000 1.342 418 M HN 0.022 nan 8.290 nan 0.000 0.405 419 R N 0.147 120.649 120.500 0.003 0.000 2.193 419 R HA -0.060 4.281 4.340 0.000 0.000 0.229 419 R C 2.188 178.493 176.300 0.008 0.000 1.110 419 R CA 1.179 57.280 56.100 0.001 0.000 0.988 419 R CB -0.484 29.816 30.300 -0.001 0.000 0.871 419 R HN 0.388 nan 8.270 nan 0.000 0.458 420 A N 0.509 123.336 122.820 0.011 0.000 2.121 420 A HA -0.028 4.292 4.320 0.000 0.000 0.218 420 A C 0.730 178.326 177.584 0.019 0.000 1.154 420 A CA 0.884 52.929 52.037 0.014 0.000 0.679 420 A CB 0.106 19.113 19.000 0.012 0.000 0.795 420 A HN 0.107 nan 8.150 nan 0.000 0.458 421 T N 0.092 114.659 114.554 0.021 0.000 2.771 421 T HA 0.556 4.906 4.350 0.000 0.000 0.281 421 T C 0.427 175.150 174.700 0.038 0.000 0.982 421 T CA 0.042 62.160 62.100 0.030 0.000 0.978 421 T CB 1.542 70.427 68.868 0.028 0.000 0.930 421 T HN 0.361 nan 8.240 nan 0.000 0.447 422 G N 2.978 111.814 108.800 0.060 0.000 2.795 422 G HA2 0.678 4.638 3.960 0.000 0.000 0.267 422 G HA3 0.678 4.638 3.960 0.000 0.000 0.267 422 G C -2.637 172.311 174.900 0.081 0.000 1.362 422 G CA -1.648 43.490 45.100 0.063 0.000 1.048 422 G HN 0.438 nan 8.290 nan 0.000 0.547 423 P HA 0.240 nan 4.420 nan 0.000 0.265 423 P C 0.334 177.696 177.300 0.103 0.000 1.187 423 P CA 0.423 63.558 63.100 0.058 0.000 0.766 423 P CB 1.256 32.966 31.700 0.016 0.000 0.820 424 A N 1.940 124.825 122.820 0.107 0.000 1.997 424 A HA -0.034 4.286 4.320 0.000 0.000 0.212 424 A C 2.065 179.720 177.584 0.117 0.000 1.178 424 A CA 0.987 53.127 52.037 0.172 0.000 0.698 424 A CB -0.980 18.090 19.000 0.118 0.000 0.842 424 A HN 0.473 nan 8.150 nan 0.000 0.458 425 S N 0.675 116.399 115.700 0.040 0.000 2.400 425 S HA -0.190 4.281 4.470 0.000 0.000 0.232 425 S C 1.711 176.277 174.600 -0.058 0.000 1.025 425 S CA 1.604 59.808 58.200 0.006 0.000 0.993 425 S CB -0.707 62.497 63.200 0.006 0.000 0.808 425 S HN 0.792 nan 8.310 nan 0.000 0.478 426 I N -1.217 119.246 120.570 -0.179 0.000 3.334 426 I HA 0.022 4.192 4.170 0.000 0.000 0.282 426 I C 0.762 176.665 176.117 -0.356 0.000 1.313 426 I CA 1.070 62.202 61.300 -0.279 0.000 1.396 426 I CB -0.391 37.398 38.000 -0.351 0.000 1.054 426 I HN 0.173 nan 8.210 nan 0.000 0.495 427 H N 1.263 120.345 119.070 0.019 0.000 2.524 427 H HA 0.311 4.867 4.556 0.000 0.000 0.299 427 H C 0.659 175.999 175.328 0.021 0.000 1.074 427 H CA -0.221 55.838 56.048 0.019 0.000 1.115 427 H CB 0.038 29.812 29.762 0.019 0.000 1.522 427 H HN 0.304 nan 8.280 nan 0.000 0.543 428 S N 1.208 116.953 115.700 0.075 0.000 2.552 428 S HA 0.200 4.670 4.470 0.000 0.000 0.289 428 S C 0.273 174.912 174.600 0.064 0.000 1.304 428 S CA -0.214 58.025 58.200 0.064 0.000 1.063 428 S CB -0.001 63.222 63.200 0.039 0.000 0.848 428 S HN 0.297 nan 8.310 nan 0.000 0.499 429 I N 3.344 123.951 120.570 0.061 0.000 2.569 429 I HA 0.219 4.389 4.170 0.000 0.000 0.290 429 I C 0.049 176.193 176.117 0.045 0.000 1.088 429 I CA -0.630 60.701 61.300 0.052 0.000 1.047 429 I CB 2.139 40.171 38.000 0.052 0.000 1.237 429 I HN 0.583 nan 8.210 nan 0.000 0.421 430 S N 3.959 119.682 115.700 0.039 0.000 2.537 430 S HA 0.273 4.743 4.470 0.000 0.000 0.286 430 S C -0.203 174.419 174.600 0.037 0.000 1.299 430 S CA 0.447 58.669 58.200 0.037 0.000 1.067 430 S CB 0.296 63.515 63.200 0.032 0.000 0.864 430 S HN 0.777 nan 8.310 nan 0.000 0.494 431 T N 3.014 117.592 114.554 0.040 0.000 2.647 431 T HA 0.412 4.762 4.350 0.000 0.000 0.295 431 T C -0.377 174.347 174.700 0.040 0.000 1.126 431 T CA -0.076 62.047 62.100 0.039 0.000 1.040 431 T CB 0.781 69.673 68.868 0.041 0.000 1.472 431 T HN 0.921 nan 8.240 nan 0.000 0.500 432 N N 0.580 119.305 118.700 0.041 0.000 2.727 432 N HA -0.219 4.521 4.740 0.000 0.000 0.251 432 N C 0.295 175.827 175.510 0.037 0.000 1.040 432 N CA 0.811 53.887 53.050 0.043 0.000 0.712 432 N CB -1.192 37.327 38.487 0.053 0.000 0.912 432 N HN 1.580 nan 8.380 nan 0.000 0.545 433 A N -0.699 122.139 122.820 0.029 0.000 2.822 433 A HA 0.009 4.330 4.320 0.000 0.000 0.287 433 A C 1.323 178.924 177.584 0.028 0.000 1.479 433 A CA 2.063 54.115 52.037 0.025 0.000 0.779 433 A CB -2.295 16.718 19.000 0.021 0.000 1.022 433 A HN 2.256 nan 8.150 nan 0.000 0.532 434 A N -2.428 120.411 122.820 0.031 0.000 3.396 434 A HA -0.356 3.964 4.320 0.000 0.000 0.267 434 A C 1.372 178.978 177.584 0.037 0.000 1.139 434 A CA 2.006 54.061 52.037 0.032 0.000 1.115 434 A CB -2.541 16.474 19.000 0.026 0.000 1.133 434 A HN 2.211 nan 8.150 nan 0.000 0.920 435 N N -0.043 118.682 118.700 0.042 0.000 2.188 435 N HA -0.090 4.650 4.740 0.000 0.000 0.184 435 N C 0.978 176.521 175.510 0.057 0.000 1.018 435 N CA 1.842 54.922 53.050 0.049 0.000 0.858 435 N CB -0.144 38.377 38.487 0.056 0.000 0.989 435 N HN 0.753 nan 8.380 nan 0.000 0.426 436 Q N 0.500 120.334 119.800 0.056 0.000 3.091 436 Q HA 0.067 4.407 4.340 0.000 0.000 0.301 436 Q C -0.426 175.608 176.000 0.057 0.000 1.337 436 Q CA -0.308 55.534 55.803 0.065 0.000 1.083 436 Q CB 0.603 29.377 28.738 0.060 0.000 1.477 436 Q HN 0.500 nan 8.270 nan 0.000 0.537 437 D N -0.487 119.944 120.400 0.051 0.000 2.350 437 D HA -0.083 4.557 4.640 0.000 0.000 0.216 437 D C 0.689 177.015 176.300 0.042 0.000 0.968 437 D CA 0.456 54.481 54.000 0.042 0.000 0.894 437 D CB 0.065 40.885 40.800 0.034 0.000 0.909 437 D HN 0.209 nan 8.370 nan 0.000 0.520 438 V N -1.902 118.043 119.914 0.050 0.000 2.760 438 V HA 0.762 4.882 4.120 0.000 0.000 0.309 438 V C -0.461 175.671 176.094 0.064 0.000 1.077 438 V CA -1.221 61.108 62.300 0.048 0.000 0.910 438 V CB 1.986 33.832 31.823 0.038 0.000 1.008 438 V HN 0.109 nan 8.190 nan 0.000 0.424 439 V N 0.877 120.828 119.914 0.061 0.000 2.925 439 V HA 0.753 4.873 4.120 0.000 0.000 0.311 439 V C 1.059 177.191 176.094 0.064 0.000 1.104 439 V CA 0.281 62.625 62.300 0.073 0.000 0.954 439 V CB 1.376 33.239 31.823 0.067 0.000 1.022 439 V HN 1.352 nan 8.190 nan 0.000 0.427 440 S N 3.023 118.766 115.700 0.071 0.000 2.395 440 S HA 0.046 4.516 4.470 0.000 0.000 0.225 440 S C 1.202 175.835 174.600 0.055 0.000 1.027 440 S CA 1.262 59.497 58.200 0.057 0.000 0.965 440 S CB -0.883 62.355 63.200 0.064 0.000 0.812 440 S HN 1.433 nan 8.310 nan 0.000 0.482 441 L N 0.263 121.523 121.223 0.060 0.000 4.232 441 L HA -0.201 4.139 4.340 0.000 0.000 0.415 441 L C 1.533 178.436 176.870 0.056 0.000 1.168 441 L CA 0.026 54.903 54.840 0.061 0.000 0.966 441 L CB -2.282 39.822 42.059 0.075 0.000 2.052 441 L HN 0.534 nan 8.230 nan 0.000 0.887 442 G N -0.320 108.511 108.800 0.052 0.000 2.422 442 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 442 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 442 G C 1.281 176.208 174.900 0.045 0.000 1.146 442 G CA 1.426 46.554 45.100 0.046 0.000 0.769 442 G HN 0.470 nan 8.290 nan 0.000 0.547 443 T N 1.381 115.960 114.554 0.042 0.000 2.708 443 T HA -0.047 4.303 4.350 0.000 0.000 0.266 443 T C 2.378 177.102 174.700 0.040 0.000 1.037 443 T CA 1.028 63.150 62.100 0.036 0.000 1.146 443 T CB -0.156 68.729 68.868 0.028 0.000 0.865 443 T HN 0.268 nan 8.240 nan 0.000 0.435 444 I N 1.625 122.220 120.570 0.043 0.000 2.226 444 I HA -0.177 3.993 4.170 0.000 0.000 0.245 444 I C 3.020 179.169 176.117 0.053 0.000 1.100 444 I CA 1.135 62.462 61.300 0.045 0.000 1.374 444 I CB -0.549 37.481 38.000 0.049 0.000 1.057 444 I HN 0.216 nan 8.210 nan 0.000 0.413 445 A N 0.772 123.627 122.820 0.060 0.000 1.908 445 A HA -0.199 4.122 4.320 0.000 0.000 0.218 445 A C 2.535 180.159 177.584 0.067 0.000 1.181 445 A CA 2.013 54.090 52.037 0.065 0.000 0.627 445 A CB -0.865 18.174 19.000 0.064 0.000 0.818 445 A HN 0.444 nan 8.150 nan 0.000 0.445 446 A N -0.490 122.370 122.820 0.066 0.000 1.930 446 A HA -0.125 4.195 4.320 0.000 0.000 0.217 446 A C 2.246 179.871 177.584 0.068 0.000 1.175 446 A CA 1.457 53.539 52.037 0.076 0.000 0.627 446 A CB -0.413 18.630 19.000 0.071 0.000 0.815 446 A HN 0.548 nan 8.150 nan 0.000 0.443 447 R N -0.571 119.963 120.500 0.055 0.000 2.092 447 R HA 0.042 4.382 4.340 0.000 0.000 0.231 447 R C 1.970 178.300 176.300 0.051 0.000 1.119 447 R CA 1.232 57.361 56.100 0.050 0.000 0.970 447 R CB -0.417 29.905 30.300 0.038 0.000 0.864 447 R HN 0.488 nan 8.270 nan 0.000 0.440 448 L N -0.252 121.002 121.223 0.051 0.000 2.141 448 L HA -0.212 4.128 4.340 0.000 0.000 0.209 448 L C 2.708 179.610 176.870 0.052 0.000 1.094 448 L CA 0.732 55.601 54.840 0.049 0.000 0.763 448 L CB -0.459 41.631 42.059 0.051 0.000 0.908 448 L HN 0.384 nan 8.230 nan 0.000 0.437 449 C N 0.225 119.560 119.300 0.058 0.000 2.440 449 C HA -0.137 4.323 4.460 0.000 0.000 0.278 449 C C 3.076 178.107 174.990 0.069 0.000 1.295 449 C CA 0.731 59.783 59.018 0.057 0.000 1.738 449 C CB -0.512 27.263 27.740 0.058 0.000 1.987 449 C HN 0.484 nan 8.230 nan 0.000 0.492 450 R N 1.323 121.867 120.500 0.073 0.000 2.081 450 R HA -0.077 4.263 4.340 0.000 0.000 0.235 450 R C 2.117 178.465 176.300 0.081 0.000 1.131 450 R CA 1.997 58.146 56.100 0.082 0.000 0.960 450 R CB -0.816 29.530 30.300 0.076 0.000 0.856 450 R HN 0.518 nan 8.270 nan 0.000 0.436 451 E N 0.758 120.998 120.200 0.067 0.000 2.085 451 E HA -0.185 4.165 4.350 0.000 0.000 0.194 451 E C 1.853 178.498 176.600 0.075 0.000 0.994 451 E CA 1.402 57.840 56.400 0.063 0.000 0.801 451 E CB -0.116 29.613 29.700 0.049 0.000 0.743 451 E HN 0.434 nan 8.360 nan 0.000 0.453 452 K N 0.237 120.682 120.400 0.075 0.000 2.097 452 K HA -0.022 4.298 4.320 0.000 0.000 0.205 452 K C 2.300 178.990 176.600 0.151 0.000 1.050 452 K CA 0.730 57.067 56.287 0.082 0.000 0.938 452 K CB -0.103 32.423 32.500 0.044 0.000 0.718 452 K HN 0.091 nan 8.250 nan 0.000 0.442 453 I N 1.418 122.090 120.570 0.170 0.000 2.315 453 I HA -0.269 3.901 4.170 0.000 0.000 0.248 453 I C 1.554 177.794 176.117 0.205 0.000 1.117 453 I CA 1.152 62.609 61.300 0.261 0.000 1.404 453 I CB -0.185 37.934 38.000 0.200 0.000 1.071 453 I HN 0.129 nan 8.210 nan 0.000 0.419 454 D N 0.505 120.984 120.400 0.131 0.000 2.144 454 D HA -0.119 4.521 4.640 0.000 0.000 0.200 454 D C 2.329 178.684 176.300 0.091 0.000 0.978 454 D CA 0.859 54.911 54.000 0.087 0.000 0.833 454 D CB -0.182 40.658 40.800 0.067 0.000 0.961 454 D HN 0.167 nan 8.370 nan 0.000 0.470 455 R N -0.068 120.503 120.500 0.118 0.000 2.075 455 R HA -0.109 4.231 4.340 0.000 0.000 0.232 455 R C 2.120 178.530 176.300 0.183 0.000 1.126 455 R CA 0.459 56.628 56.100 0.115 0.000 0.963 455 R CB -1.044 29.314 30.300 0.097 0.000 0.858 455 R HN 0.338 nan 8.270 nan 0.000 0.435 456 W N 1.925 123.226 121.300 0.003 0.000 2.338 456 W HA -0.109 4.551 4.660 0.000 0.000 0.304 456 W C 2.090 178.601 176.519 -0.013 0.000 1.212 456 W CA 1.438 58.784 57.345 0.003 0.000 1.264 456 W CB -0.633 28.835 29.460 0.014 0.000 1.142 456 W HN 0.139 nan 8.180 nan 0.000 0.512 457 A N 0.178 123.002 122.820 0.006 0.000 1.902 457 A HA -0.233 4.088 4.320 0.000 0.000 0.217 457 A C 1.869 179.371 177.584 -0.137 0.000 1.181 457 A CA 2.006 53.932 52.037 -0.185 0.000 0.623 457 A CB -0.802 18.114 19.000 -0.141 0.000 0.818 457 A HN 0.450 nan 8.150 nan 0.000 0.443 458 E N -0.332 119.844 120.200 -0.040 0.000 2.072 458 E HA -0.109 4.241 4.350 0.000 0.000 0.191 458 E C 1.849 178.435 176.600 -0.022 0.000 0.985 458 E CA 1.157 57.535 56.400 -0.036 0.000 0.801 458 E CB -0.258 29.444 29.700 0.003 0.000 0.750 458 E HN 0.699 nan 8.360 nan 0.000 0.452 459 I N 0.809 121.403 120.570 0.039 0.000 2.226 459 I HA -0.278 3.892 4.170 0.000 0.000 0.245 459 I C 2.236 178.369 176.117 0.025 0.000 1.100 459 I CA 0.982 62.323 61.300 0.068 0.000 1.374 459 I CB -0.170 37.925 38.000 0.158 0.000 1.057 459 I HN 0.121 nan 8.210 nan 0.000 0.413 460 L N 0.451 121.662 121.223 -0.020 0.000 2.083 460 L HA -0.203 4.137 4.340 0.000 0.000 0.209 460 L C 2.834 179.601 176.870 -0.171 0.000 1.083 460 L CA 1.297 56.080 54.840 -0.095 0.000 0.752 460 L CB -0.664 41.247 42.059 -0.247 0.000 0.899 460 L HN 0.243 nan 8.230 nan 0.000 0.433 461 A N 0.206 122.892 122.820 -0.223 0.000 1.933 461 A HA -0.186 4.134 4.320 0.000 0.000 0.218 461 A C 2.203 179.672 177.584 -0.192 0.000 1.175 461 A CA 1.537 53.409 52.037 -0.275 0.000 0.628 461 A CB -0.638 18.206 19.000 -0.259 0.000 0.814 461 A HN 0.367 nan 8.150 nan 0.000 0.444 462 I N -0.911 119.595 120.570 -0.107 0.000 2.252 462 I HA -0.213 3.958 4.170 0.000 0.000 0.245 462 I C 2.397 178.453 176.117 -0.101 0.000 1.102 462 I CA 1.106 62.371 61.300 -0.059 0.000 1.385 462 I CB -0.225 37.775 38.000 0.001 0.000 1.064 462 I HN 0.396 nan 8.210 nan 0.000 0.414 463 L N 1.127 122.303 121.223 -0.077 0.000 2.083 463 L HA -0.116 4.224 4.340 0.000 0.000 0.209 463 L C 2.510 179.325 176.870 -0.091 0.000 1.083 463 L CA 2.046 56.845 54.840 -0.069 0.000 0.752 463 L CB -0.764 41.294 42.059 -0.001 0.000 0.899 463 L HN 0.172 nan 8.230 nan 0.000 0.433 464 A N -0.463 122.299 122.820 -0.097 0.000 1.877 464 A HA -0.147 4.173 4.320 0.000 0.000 0.216 464 A C 2.258 179.775 177.584 -0.112 0.000 1.186 464 A CA 1.910 53.904 52.037 -0.073 0.000 0.620 464 A CB -0.882 18.033 19.000 -0.142 0.000 0.822 464 A HN 0.486 nan 8.150 nan 0.000 0.443 465 L N -0.843 120.278 121.223 -0.170 0.000 2.046 465 L HA -0.251 4.089 4.340 0.000 0.000 0.208 465 L C 2.748 179.441 176.870 -0.296 0.000 1.077 465 L CA 1.249 56.012 54.840 -0.129 0.000 0.747 465 L CB -0.706 41.344 42.059 -0.014 0.000 0.896 465 L HN 0.497 nan 8.230 nan 0.000 0.432 466 C N -0.210 118.770 119.300 -0.534 0.000 2.432 466 C HA -0.144 4.316 4.460 0.000 0.000 0.277 466 C C 2.760 177.539 174.990 -0.351 0.000 1.249 466 C CA 0.481 59.024 59.018 -0.793 0.000 1.725 466 C CB -0.735 26.660 27.740 -0.575 0.000 2.028 466 C HN 0.425 nan 8.230 nan 0.000 0.477 467 L N 0.940 122.054 121.223 -0.181 0.000 2.083 467 L HA -0.160 4.180 4.340 0.000 0.000 0.209 467 L C 2.863 179.715 176.870 -0.030 0.000 1.083 467 L CA 1.533 56.331 54.840 -0.070 0.000 0.752 467 L CB -0.720 41.333 42.059 -0.011 0.000 0.899 467 L HN 0.354 nan 8.230 nan 0.000 0.433 468 A N -0.337 122.471 122.820 -0.019 0.000 1.908 468 A HA -0.306 4.014 4.320 0.000 0.000 0.218 468 A C 2.206 179.815 177.584 0.043 0.000 1.181 468 A CA 2.055 54.112 52.037 0.034 0.000 0.627 468 A CB -0.545 18.492 19.000 0.062 0.000 0.818 468 A HN 0.432 nan 8.150 nan 0.000 0.445 469 Q N -0.357 119.465 119.800 0.037 0.000 2.016 469 Q HA -0.019 4.321 4.340 0.000 0.000 0.200 469 Q C 2.099 178.125 176.000 0.044 0.000 0.978 469 Q CA 2.192 58.051 55.803 0.092 0.000 0.833 469 Q CB -0.543 28.325 28.738 0.217 0.000 0.895 469 Q HN 0.542 nan 8.270 nan 0.000 0.427 470 A N 0.441 123.255 122.820 -0.009 0.000 1.940 470 A HA -0.116 4.204 4.320 0.000 0.000 0.219 470 A C 2.302 179.889 177.584 0.005 0.000 1.176 470 A CA 1.894 53.926 52.037 -0.009 0.000 0.631 470 A CB -1.245 17.734 19.000 -0.035 0.000 0.814 470 A HN 0.562 nan 8.150 nan 0.000 0.446 471 A N -0.120 122.707 122.820 0.012 0.000 1.902 471 A HA -0.189 4.131 4.320 0.000 0.000 0.217 471 A C 1.919 179.517 177.584 0.023 0.000 1.181 471 A CA 1.699 53.748 52.037 0.021 0.000 0.623 471 A CB -0.532 18.485 19.000 0.029 0.000 0.818 471 A HN 0.651 nan 8.150 nan 0.000 0.443 472 E N -0.277 119.941 120.200 0.030 0.000 2.106 472 E HA -0.077 4.273 4.350 0.000 0.000 0.192 472 E C 1.909 178.522 176.600 0.022 0.000 0.984 472 E CA 0.887 57.306 56.400 0.031 0.000 0.806 472 E CB -0.243 29.482 29.700 0.042 0.000 0.750 472 E HN 0.612 nan 8.360 nan 0.000 0.458 473 L N 0.403 121.638 121.223 0.019 0.000 2.093 473 L HA -0.140 4.200 4.340 0.000 0.000 0.208 473 L C 2.619 179.490 176.870 0.001 0.000 1.085 473 L CA 0.909 55.752 54.840 0.005 0.000 0.755 473 L CB -0.123 41.936 42.059 -0.001 0.000 0.904 473 L HN 0.010 nan 8.230 nan 0.000 0.435 474 R N -0.360 120.142 120.500 0.004 0.000 2.080 474 R HA -0.030 4.310 4.340 0.000 0.000 0.222 474 R C 1.728 178.031 176.300 0.006 0.000 1.107 474 R CA 1.482 57.583 56.100 0.002 0.000 0.980 474 R CB -0.305 29.996 30.300 0.003 0.000 0.879 474 R HN 0.344 nan 8.270 nan 0.000 0.439 475 C N 0.226 119.532 119.300 0.010 0.000 3.104 475 C HA 0.659 5.119 4.460 0.000 0.000 0.284 475 C C 0.595 175.593 174.990 0.013 0.000 1.326 475 C CA -0.371 58.654 59.018 0.011 0.000 1.725 475 C CB -0.741 27.008 27.740 0.014 0.000 2.156 475 C HN 0.727 nan 8.230 nan 0.000 0.638 476 G N 1.751 110.559 108.800 0.013 0.000 2.758 476 G HA2 -0.150 3.810 3.960 0.000 0.000 0.686 476 G HA3 -0.150 3.810 3.960 0.000 0.000 0.686 476 G C 0.694 175.605 174.900 0.019 0.000 1.389 476 G CA 0.039 45.147 45.100 0.014 0.000 0.845 476 G HN 0.784 nan 8.290 nan 0.000 0.572 477 S N -0.632 115.080 115.700 0.020 0.000 2.440 477 S HA 0.046 4.516 4.470 0.000 0.000 0.238 477 S C 2.372 176.985 174.600 0.023 0.000 1.010 477 S CA 1.873 60.088 58.200 0.024 0.000 0.972 477 S CB -0.153 63.060 63.200 0.023 0.000 0.774 477 S HN 2.144 nan 8.310 nan 0.000 0.501 478 G N 0.845 109.657 108.800 0.019 0.000 2.813 478 G HA2 0.344 4.304 3.960 0.000 0.000 0.209 478 G HA3 0.344 4.304 3.960 0.000 0.000 0.209 478 G C 0.548 175.459 174.900 0.019 0.000 1.150 478 G CA -0.083 45.028 45.100 0.018 0.000 0.785 478 G HN 0.594 nan 8.290 nan 0.000 0.535 479 L N 0.952 122.187 121.223 0.020 0.000 3.660 479 L HA -0.143 4.197 4.340 0.000 0.000 0.440 479 L C -0.896 175.984 176.870 0.017 0.000 1.262 479 L CA -0.110 54.742 54.840 0.021 0.000 0.837 479 L CB -1.736 40.338 42.059 0.025 0.000 1.689 479 L HN 0.217 nan 8.230 nan 0.000 0.890 480 D N 1.442 121.850 120.400 0.014 0.000 2.434 480 D HA 0.284 4.924 4.640 0.000 0.000 0.252 480 D C 1.381 177.687 176.300 0.011 0.000 1.185 480 D CA 1.374 55.381 54.000 0.012 0.000 0.886 480 D CB 1.263 42.069 40.800 0.010 0.000 1.148 480 D HN 0.545 nan 8.370 nan 0.000 0.483 481 G N 1.445 110.252 108.800 0.010 0.000 2.217 481 G HA2 -0.281 3.679 3.960 0.000 0.000 0.246 481 G HA3 -0.281 3.679 3.960 0.000 0.000 0.246 481 G C 0.469 175.376 174.900 0.011 0.000 0.990 481 G CA 0.073 45.178 45.100 0.009 0.000 0.627 481 G HN 0.521 nan 8.290 nan 0.000 0.522 482 V N 2.593 122.516 119.914 0.015 0.000 2.715 482 V HA 0.484 4.604 4.120 0.000 0.000 0.299 482 V C 1.514 177.619 176.094 0.019 0.000 1.054 482 V CA 0.214 62.525 62.300 0.019 0.000 1.077 482 V CB 1.398 33.235 31.823 0.023 0.000 0.972 482 V HN 1.076 nan 8.190 nan 0.000 0.484 483 S N 4.892 120.606 115.700 0.022 0.000 2.576 483 S HA 0.127 4.597 4.470 0.000 0.000 0.272 483 S C -1.737 172.873 174.600 0.017 0.000 1.352 483 S CA -0.627 57.585 58.200 0.020 0.000 1.021 483 S CB 0.479 63.696 63.200 0.028 0.000 0.887 483 S HN 0.580 nan 8.310 nan 0.000 0.542 484 P HA -0.033 nan 4.420 nan 0.000 0.216 484 P C 1.636 178.940 177.300 0.006 0.000 1.153 484 P CA 1.877 64.982 63.100 0.009 0.000 0.848 484 P CB -0.242 31.462 31.700 0.006 0.000 0.787 485 A N -0.181 122.640 122.820 0.002 0.000 1.877 485 A HA -0.080 4.240 4.320 0.000 0.000 0.216 485 A C 2.493 180.075 177.584 -0.003 0.000 1.186 485 A CA 2.099 54.130 52.037 -0.010 0.000 0.620 485 A CB -1.895 17.094 19.000 -0.018 0.000 0.822 485 A HN 0.270 nan 8.150 nan 0.000 0.443 486 G N -0.411 108.396 108.800 0.012 0.000 2.418 486 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 486 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 486 G C 1.680 176.598 174.900 0.030 0.000 1.158 486 G CA 1.104 46.218 45.100 0.025 0.000 0.771 486 G HN 0.569 nan 8.290 nan 0.000 0.545 487 K N 0.198 120.613 120.400 0.026 0.000 2.026 487 K HA -0.073 4.247 4.320 0.000 0.000 0.208 487 K C 2.446 179.065 176.600 0.032 0.000 1.048 487 K CA 1.355 57.659 56.287 0.029 0.000 0.929 487 K CB -0.148 32.365 32.500 0.022 0.000 0.713 487 K HN 0.249 nan 8.250 nan 0.000 0.439 488 K N 1.344 121.758 120.400 0.023 0.000 2.057 488 K HA -0.139 4.181 4.320 0.000 0.000 0.207 488 K C 2.155 178.779 176.600 0.039 0.000 1.049 488 K CA 0.986 57.287 56.287 0.024 0.000 0.931 488 K CB -0.079 32.426 32.500 0.008 0.000 0.714 488 K HN 0.106 nan 8.250 nan 0.000 0.440 489 L N 0.576 121.821 121.223 0.036 0.000 2.005 489 L HA -0.171 4.169 4.340 0.000 0.000 0.207 489 L C 2.082 179.021 176.870 0.115 0.000 1.072 489 L CA 1.127 56.009 54.840 0.069 0.000 0.744 489 L CB -0.176 41.908 42.059 0.043 0.000 0.895 489 L HN 0.012 nan 8.230 nan 0.000 0.433 490 V N -0.049 119.920 119.914 0.091 0.000 2.343 490 V HA -0.329 3.791 4.120 0.000 0.000 0.247 490 V C 2.478 178.628 176.094 0.092 0.000 1.051 490 V CA 2.076 64.433 62.300 0.094 0.000 1.036 490 V CB -0.715 31.150 31.823 0.070 0.000 0.654 490 V HN 0.549 nan 8.190 nan 0.000 0.451 491 Q N -0.120 119.724 119.800 0.072 0.000 2.061 491 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 491 Q C 2.441 178.484 176.000 0.072 0.000 0.984 491 Q CA 1.910 57.751 55.803 0.062 0.000 0.846 491 Q CB -0.463 28.302 28.738 0.045 0.000 0.902 491 Q HN 0.682 nan 8.270 nan 0.000 0.421 492 A N 0.786 123.657 122.820 0.085 0.000 1.902 492 A HA -0.165 4.155 4.320 0.000 0.000 0.217 492 A C 2.073 179.732 177.584 0.124 0.000 1.181 492 A CA 1.124 53.218 52.037 0.095 0.000 0.623 492 A CB -0.687 18.384 19.000 0.119 0.000 0.818 492 A HN 0.290 nan 8.150 nan 0.000 0.443 493 L N -1.096 120.232 121.223 0.175 0.000 2.017 493 L HA -0.159 4.181 4.340 0.000 0.000 0.208 493 L C 2.684 179.705 176.870 0.252 0.000 1.073 493 L CA 1.017 56.008 54.840 0.252 0.000 0.745 493 L CB -0.445 41.740 42.059 0.211 0.000 0.894 493 L HN 0.265 nan 8.230 nan 0.000 0.432 494 R N 0.403 120.998 120.500 0.158 0.000 2.293 494 R HA -0.147 4.193 4.340 0.000 0.000 0.219 494 R C 1.854 178.185 176.300 0.052 0.000 1.091 494 R CA 0.814 56.983 56.100 0.116 0.000 1.004 494 R CB -0.422 29.929 30.300 0.086 0.000 0.865 494 R HN 0.550 nan 8.270 nan 0.000 0.469 495 E N -0.081 120.138 120.200 0.031 0.000 2.204 495 E HA -0.139 4.211 4.350 0.000 0.000 0.194 495 E C 1.400 177.935 176.600 -0.108 0.000 0.989 495 E CA 0.756 57.141 56.400 -0.026 0.000 0.824 495 E CB 0.256 29.943 29.700 -0.021 0.000 0.756 495 E HN 0.204 nan 8.360 nan 0.000 0.477 496 Q N -1.254 118.433 119.800 -0.188 0.000 2.288 496 Q HA 0.148 4.488 4.340 0.000 0.000 0.256 496 Q C -0.455 175.092 176.000 -0.755 0.000 0.835 496 Q CA 0.282 55.781 55.803 -0.507 0.000 0.958 496 Q CB 0.930 29.225 28.738 -0.739 0.000 1.125 496 Q HN 0.112 nan 8.270 nan 0.000 0.513 497 F N 2.058 122.003 119.950 -0.007 0.000 2.430 497 F HA 0.429 4.956 4.527 0.000 0.000 0.362 497 F C -2.139 173.676 175.800 0.026 0.000 1.103 497 F CA -2.562 55.445 58.000 0.010 0.000 1.045 497 F CB 1.383 40.394 39.000 0.018 0.000 1.276 497 F HN -0.205 nan 8.300 nan 0.000 0.444 498 P HA 0.112 nan 4.420 nan 0.000 0.269 498 P C -2.342 175.030 177.300 0.120 0.000 1.215 498 P CA -0.893 62.262 63.100 0.091 0.000 0.780 498 P CB -0.008 31.720 31.700 0.046 0.000 0.898 499 P HA 0.039 nan 4.420 nan 0.000 0.270 499 P C -0.634 176.717 177.300 0.085 0.000 1.223 499 P CA -0.112 63.053 63.100 0.109 0.000 0.785 499 P CB 0.480 32.229 31.700 0.082 0.000 0.923 500 L N 2.309 123.587 121.223 0.092 0.000 2.375 500 L HA 0.141 4.481 4.340 0.000 0.000 0.276 500 L C 1.299 178.178 176.870 0.015 0.000 1.162 500 L CA 0.474 55.316 54.840 0.004 0.000 0.991 500 L CB -0.762 41.217 42.059 -0.134 0.000 1.315 500 L HN 0.319 nan 8.230 nan 0.000 0.431 501 E N 1.029 121.238 120.200 0.016 0.000 2.230 501 E HA 0.024 4.374 4.350 0.000 0.000 0.192 501 E C 0.214 176.825 176.600 0.019 0.000 0.987 501 E CA 0.492 56.906 56.400 0.022 0.000 0.841 501 E CB 0.422 30.135 29.700 0.021 0.000 0.783 501 E HN 0.587 nan 8.360 nan 0.000 0.481 502 T N 0.086 114.640 114.554 0.001 0.000 2.889 502 T HA 0.107 4.457 4.350 0.000 0.000 0.315 502 T C -1.782 172.898 174.700 -0.033 0.000 1.291 502 T CA -1.000 61.099 62.100 -0.000 0.000 1.028 502 T CB 1.359 70.228 68.868 0.002 0.000 1.235 502 T HN -0.225 nan 8.240 nan 0.000 0.491 503 D N 2.772 123.149 120.400 -0.038 0.000 2.525 503 D HA 0.319 4.959 4.640 0.000 0.000 0.235 503 D C 0.597 176.857 176.300 -0.066 0.000 1.137 503 D CA 0.678 54.634 54.000 -0.073 0.000 0.868 503 D CB 0.375 41.138 40.800 -0.062 0.000 1.180 503 D HN 0.681 nan 8.370 nan 0.000 0.465 504 R N 0.454 120.902 120.500 -0.086 0.000 2.692 504 R HA 0.611 4.951 4.340 0.000 0.000 0.269 504 R C -3.141 173.122 176.300 -0.061 0.000 1.030 504 R CA -1.665 54.400 56.100 -0.059 0.000 0.882 504 R CB 0.337 30.612 30.300 -0.043 0.000 1.250 504 R HN 0.004 nan 8.270 nan 0.000 0.465 505 P HA 0.134 nan 4.420 nan 0.000 0.267 505 P C -0.307 176.984 177.300 -0.015 0.000 1.205 505 P CA -0.256 62.829 63.100 -0.026 0.000 0.765 505 P CB 0.596 32.288 31.700 -0.013 0.000 0.828 506 L N 1.569 122.785 121.223 -0.012 0.000 2.731 506 L HA 0.182 4.522 4.340 0.000 0.000 0.240 506 L C 2.270 179.159 176.870 0.030 0.000 1.120 506 L CA 0.348 55.197 54.840 0.014 0.000 0.913 506 L CB -0.240 41.825 42.059 0.009 0.000 1.213 506 L HN 0.537 nan 8.230 nan 0.000 0.515 507 G N 0.287 109.099 108.800 0.020 0.000 2.529 507 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 507 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 507 G C 1.381 176.299 174.900 0.030 0.000 1.177 507 G CA 0.762 45.875 45.100 0.021 0.000 0.773 507 G HN 0.387 nan 8.290 nan 0.000 0.573 508 Q N -0.082 119.741 119.800 0.038 0.000 2.119 508 Q HA -0.070 4.270 4.340 0.000 0.000 0.201 508 Q C 2.499 178.555 176.000 0.093 0.000 0.972 508 Q CA 1.274 57.108 55.803 0.052 0.000 0.847 508 Q CB -0.125 28.639 28.738 0.044 0.000 0.903 508 Q HN 0.618 nan 8.270 nan 0.000 0.433 509 E N 0.604 120.879 120.200 0.126 0.000 2.106 509 E HA -0.143 4.207 4.350 0.000 0.000 0.192 509 E C 1.953 178.593 176.600 0.066 0.000 0.984 509 E CA 0.734 57.280 56.400 0.242 0.000 0.806 509 E CB -0.017 29.851 29.700 0.280 0.000 0.750 509 E HN 0.348 nan 8.360 nan 0.000 0.458 510 I N 1.048 121.619 120.570 0.002 0.000 2.202 510 I HA -0.262 3.908 4.170 0.000 0.000 0.242 510 I C 2.542 178.632 176.117 -0.047 0.000 1.091 510 I CA 0.956 62.220 61.300 -0.060 0.000 1.368 510 I CB -0.281 37.706 38.000 -0.020 0.000 1.058 510 I HN 0.083 nan 8.210 nan 0.000 0.410 511 A N 0.735 123.556 122.820 0.002 0.000 1.902 511 A HA -0.169 4.151 4.320 0.000 0.000 0.217 511 A C 2.540 180.139 177.584 0.025 0.000 1.181 511 A CA 1.902 53.944 52.037 0.009 0.000 0.623 511 A CB -0.885 18.128 19.000 0.022 0.000 0.818 511 A HN 0.430 nan 8.150 nan 0.000 0.443 512 A N -0.614 122.250 122.820 0.074 0.000 1.902 512 A HA -0.040 4.280 4.320 0.000 0.000 0.217 512 A C 2.133 179.801 177.584 0.139 0.000 1.181 512 A CA 1.773 53.887 52.037 0.129 0.000 0.623 512 A CB -0.621 18.508 19.000 0.214 0.000 0.818 512 A HN 0.677 nan 8.150 nan 0.000 0.443 513 L N -0.281 120.977 121.223 0.058 0.000 2.093 513 L HA -0.006 4.334 4.340 0.000 0.000 0.208 513 L C 2.648 179.432 176.870 -0.143 0.000 1.085 513 L CA 2.012 56.787 54.840 -0.109 0.000 0.755 513 L CB -0.848 40.882 42.059 -0.549 0.000 0.904 513 L HN 0.347 nan 8.230 nan 0.000 0.435 514 A N -1.545 121.191 122.820 -0.140 0.000 1.908 514 A HA -0.227 4.093 4.320 0.000 0.000 0.218 514 A C 2.273 179.795 177.584 -0.104 0.000 1.181 514 A CA 2.338 54.282 52.037 -0.154 0.000 0.627 514 A CB -1.235 17.706 19.000 -0.097 0.000 0.818 514 A HN 0.490 nan 8.150 nan 0.000 0.445 515 T N -1.435 113.103 114.554 -0.026 0.000 2.759 515 T HA -0.170 4.180 4.350 0.000 0.000 0.269 515 T C 1.848 176.556 174.700 0.014 0.000 1.042 515 T CA 1.942 64.046 62.100 0.007 0.000 1.140 515 T CB -0.373 68.519 68.868 0.040 0.000 0.864 515 T HN 0.807 nan 8.240 nan 0.000 0.455 516 H N 1.026 120.054 119.070 -0.070 0.000 2.363 516 H HA 0.146 4.702 4.556 0.000 0.000 0.301 516 H C 1.994 177.248 175.328 -0.124 0.000 1.074 516 H CA 1.130 57.141 56.048 -0.062 0.000 1.354 516 H CB -0.484 29.265 29.762 -0.022 0.000 1.397 516 H HN 0.241 nan 8.280 nan 0.000 0.516 517 L N 0.018 121.022 121.223 -0.364 0.000 2.127 517 L HA -0.171 4.169 4.340 0.000 0.000 0.211 517 L C 2.253 178.953 176.870 -0.284 0.000 1.089 517 L CA 0.987 55.472 54.840 -0.592 0.000 0.757 517 L CB -0.485 41.049 42.059 -0.874 0.000 0.899 517 L HN 0.333 nan 8.230 nan 0.000 0.434 518 L N -0.771 120.334 121.223 -0.198 0.000 2.376 518 L HA -0.147 4.193 4.340 0.000 0.000 0.219 518 L C 2.197 179.039 176.870 -0.046 0.000 1.133 518 L CA 0.929 55.723 54.840 -0.076 0.000 0.816 518 L CB -0.166 41.881 42.059 -0.020 0.000 0.933 518 L HN 0.396 nan 8.230 nan 0.000 0.449 519 Q N -1.525 118.158 119.800 -0.194 0.000 2.316 519 Q HA 0.194 4.534 4.340 0.000 0.000 0.235 519 Q C -0.031 175.553 176.000 -0.692 0.000 0.863 519 Q CA 0.075 55.733 55.803 -0.242 0.000 0.939 519 Q CB 1.017 29.719 28.738 -0.061 0.000 1.108 519 Q HN 0.442 nan 8.270 nan 0.000 0.522 520 Q N 0.023 119.382 119.800 -0.734 0.000 2.379 520 Q HA 0.487 4.828 4.340 0.000 0.000 0.278 520 Q C -1.231 174.642 176.000 -0.211 0.000 1.068 520 Q CA -0.454 54.985 55.803 -0.608 0.000 0.816 520 Q CB 2.655 31.178 28.738 -0.359 0.000 1.387 520 Q HN -0.072 nan 8.270 nan 0.000 0.413 521 S N 1.992 117.637 115.700 -0.092 0.000 2.690 521 S HA 0.552 5.022 4.470 0.000 0.000 0.291 521 S C -2.398 171.987 174.600 -0.358 0.000 1.138 521 S CA -1.172 56.924 58.200 -0.173 0.000 1.013 521 S CB 0.912 64.066 63.200 -0.076 0.000 1.053 521 S HN 0.429 nan 8.310 nan 0.000 0.539 522 P HA 0.272 nan 4.420 nan 0.000 0.274 522 P C -0.699 176.401 177.300 -0.333 0.000 1.470 522 P CA -0.161 62.537 63.100 -0.671 0.000 1.001 522 P CB 0.071 31.074 31.700 -1.162 0.000 1.332 523 V N 0.000 119.814 119.914 -0.167 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.238 62.300 -0.103 0.000 1.235 523 V CB 0.000 31.777 31.823 -0.076 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556