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 2esn_1_D DATA FIRST_RESID 3 DATA SEQUENCE PLLRRLDLNL LLVFDALYRH RNVGTAASEL AISASAFSHA LGRLRQGLDD DATA SEQUENCE ELFLRQGNRM QPTQRAEHLA AAVAAALRAL GEGLEEWRPF VPGQSQRTFV DATA SEQUENCE FAATDYTAFA LLPPLMNRLQ HSAPGVRLRL VNAERKLSVE ALASGRIDFA DATA SEQUENCE LGYDEEHERL PEGIQAHDWF ADRYVVVARR DHPRLAGAPT LEGYLAERHA DATA SEQUENCE VVTPWNEDSG VIDRLLARSG LRREVAVQLP TVLAALFLAG STDFLLTAPR DATA SEQUENCE HAARALAEAA GLALYPAPFD IPPYVLRLYS HVQXXXRDAH AWMIGQLKGL DATA SEQUENCE D 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.286 177.300 -0.024 0.000 1.155 3 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 3 P CB 0.000 31.689 31.700 -0.018 0.000 0.726 4 L N -0.809 120.397 121.223 -0.028 0.000 6.223 4 L HA -0.286 4.052 4.340 -0.003 0.000 0.053 4 L C 1.546 178.393 176.870 -0.038 0.000 2.244 4 L CA 1.486 56.305 54.840 -0.035 0.000 1.647 4 L CB -1.843 40.197 42.059 -0.032 0.000 2.769 4 L HN -0.081 nan 8.230 nan 0.000 1.016 5 L N -0.156 121.044 121.223 -0.038 0.000 2.187 5 L HA -0.117 4.221 4.340 -0.003 0.000 0.213 5 L C 2.673 179.524 176.870 -0.031 0.000 1.100 5 L CA 1.870 56.687 54.840 -0.038 0.000 0.765 5 L CB -1.407 40.631 42.059 -0.035 0.000 0.904 5 L HN 0.473 nan 8.230 nan 0.000 0.437 6 R N -0.631 119.853 120.500 -0.027 0.000 2.127 6 R HA -0.067 4.271 4.340 -0.003 0.000 0.217 6 R C 2.286 178.573 176.300 -0.022 0.000 1.074 6 R CA 0.664 56.750 56.100 -0.023 0.000 0.991 6 R CB 0.212 30.501 30.300 -0.020 0.000 0.895 6 R HN 0.135 nan 8.270 nan 0.000 0.450 7 R N -0.031 120.456 120.500 -0.023 0.000 2.140 7 R HA 0.080 4.418 4.340 -0.003 0.000 0.213 7 R C 0.236 176.522 176.300 -0.023 0.000 1.059 7 R CA 0.141 56.228 56.100 -0.021 0.000 1.000 7 R CB -0.131 30.157 30.300 -0.020 0.000 0.910 7 R HN -0.016 nan 8.270 nan 0.000 0.455 8 L N 1.591 122.797 121.223 -0.029 0.000 2.453 8 L HA 0.090 4.428 4.340 -0.003 0.000 0.272 8 L C -0.611 176.242 176.870 -0.029 0.000 1.182 8 L CA 0.051 54.871 54.840 -0.032 0.000 0.858 8 L CB 0.752 42.785 42.059 -0.043 0.000 1.120 8 L HN 0.065 nan 8.230 nan 0.000 0.474 9 D N 4.105 124.490 120.400 -0.025 0.000 2.359 9 D HA 0.029 4.667 4.640 -0.003 0.000 0.250 9 D C 0.970 177.256 176.300 -0.024 0.000 1.264 9 D CA -0.161 53.826 54.000 -0.022 0.000 0.911 9 D CB 0.586 41.375 40.800 -0.019 0.000 1.056 9 D HN 0.490 nan 8.370 nan 0.000 0.499 10 L N 4.010 125.217 121.223 -0.025 0.000 2.187 10 L HA -0.131 4.207 4.340 -0.003 0.000 0.213 10 L C 1.937 178.798 176.870 -0.015 0.000 1.100 10 L CA 0.990 55.815 54.840 -0.025 0.000 0.765 10 L CB -0.812 41.229 42.059 -0.029 0.000 0.904 10 L HN 0.503 nan 8.230 nan 0.000 0.437 11 N N -0.415 118.277 118.700 -0.014 0.000 2.348 11 N HA -0.163 4.575 4.740 -0.003 0.000 0.185 11 N C 1.787 177.296 175.510 -0.003 0.000 1.019 11 N CA 0.997 54.042 53.050 -0.008 0.000 0.880 11 N CB -0.133 38.348 38.487 -0.010 0.000 0.965 11 N HN 0.393 nan 8.380 nan 0.000 0.437 12 L N 0.535 121.754 121.223 -0.007 0.000 2.376 12 L HA 0.007 4.345 4.340 -0.003 0.000 0.219 12 L C 2.043 178.938 176.870 0.043 0.000 1.133 12 L CA 0.261 55.098 54.840 -0.006 0.000 0.816 12 L CB -0.195 41.857 42.059 -0.012 0.000 0.933 12 L HN 0.105 nan 8.230 nan 0.000 0.449 13 L N -0.705 120.546 121.223 0.046 0.000 2.217 13 L HA -0.181 4.157 4.340 -0.003 0.000 0.211 13 L C 2.377 179.342 176.870 0.158 0.000 1.107 13 L CA 0.865 55.765 54.840 0.100 0.000 0.783 13 L CB -0.343 41.732 42.059 0.027 0.000 0.919 13 L HN 0.301 nan 8.230 nan 0.000 0.442 14 L N -0.924 120.356 121.223 0.096 0.000 2.083 14 L HA -0.180 4.158 4.340 -0.003 0.000 0.209 14 L C 2.525 179.466 176.870 0.119 0.000 1.083 14 L CA 0.810 55.710 54.840 0.100 0.000 0.752 14 L CB -0.446 41.650 42.059 0.063 0.000 0.899 14 L HN 0.076 nan 8.230 nan 0.000 0.433 15 V N -0.301 119.651 119.914 0.063 0.000 2.237 15 V HA -0.335 3.783 4.120 -0.003 0.000 0.245 15 V C 2.226 178.353 176.094 0.055 0.000 1.046 15 V CA 2.029 64.303 62.300 -0.043 0.000 1.007 15 V CB -0.654 30.970 31.823 -0.331 0.000 0.638 15 V HN 0.304 nan 8.190 nan 0.000 0.445 16 F N 1.513 121.477 119.950 0.023 0.000 2.045 16 F HA -0.353 4.173 4.527 -0.002 0.000 0.297 16 F C 2.314 178.258 175.800 0.241 0.000 1.114 16 F CA 2.592 60.694 58.000 0.171 0.000 1.207 16 F CB -0.450 38.640 39.000 0.151 0.000 0.964 16 F HN 0.322 nan 8.300 nan 0.000 0.486 17 D N -0.247 120.310 120.400 0.263 0.000 2.104 17 D HA -0.228 4.410 4.640 -0.003 0.000 0.194 17 D C 2.183 178.574 176.300 0.152 0.000 0.994 17 D CA 1.683 55.796 54.000 0.188 0.000 0.830 17 D CB -0.354 40.564 40.800 0.197 0.000 0.959 17 D HN 0.353 nan 8.370 nan 0.000 0.452 18 A N 0.194 123.114 122.820 0.167 0.000 1.902 18 A HA -0.100 4.218 4.320 -0.003 0.000 0.217 18 A C 2.388 180.071 177.584 0.166 0.000 1.181 18 A CA 0.933 53.098 52.037 0.213 0.000 0.623 18 A CB -0.932 18.173 19.000 0.176 0.000 0.818 18 A HN 0.419 nan 8.150 nan 0.000 0.443 19 L N -1.980 119.277 121.223 0.056 0.000 2.046 19 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 19 L C 2.531 179.265 176.870 -0.227 0.000 1.077 19 L CA 2.003 56.716 54.840 -0.211 0.000 0.747 19 L CB -0.425 41.260 42.059 -0.625 0.000 0.896 19 L HN 0.631 nan 8.230 nan 0.000 0.432 20 Y N 0.672 120.847 120.300 -0.207 0.000 2.165 20 Y HA -0.293 4.255 4.550 -0.003 0.000 0.286 20 Y C 2.710 178.622 175.900 0.019 0.000 1.155 20 Y CA 1.734 59.847 58.100 0.022 0.000 1.164 20 Y CB -0.022 38.365 38.460 -0.122 0.000 0.978 20 Y HN 0.065 nan 8.280 nan 0.000 0.513 21 R N -1.469 119.100 120.500 0.115 0.000 2.075 21 R HA -0.094 4.244 4.340 -0.003 0.000 0.226 21 R C 2.013 178.222 176.300 -0.151 0.000 1.114 21 R CA 1.414 57.507 56.100 -0.011 0.000 0.972 21 R CB -0.374 29.934 30.300 0.014 0.000 0.869 21 R HN 0.489 nan 8.270 nan 0.000 0.437 22 H N 0.192 119.213 119.070 -0.081 0.000 2.497 22 H HA 0.182 4.735 4.556 -0.004 0.000 0.282 22 H C 0.301 175.554 175.328 -0.125 0.000 1.003 22 H CA 0.215 56.201 56.048 -0.102 0.000 1.307 22 H CB 0.456 30.143 29.762 -0.125 0.000 1.437 22 H HN -0.005 nan 8.280 nan 0.000 0.544 23 R N 1.231 121.701 120.500 -0.050 0.000 3.502 23 R HA -0.172 4.166 4.340 -0.003 0.000 0.266 23 R C -0.366 175.891 176.300 -0.071 0.000 1.077 23 R CA 0.375 56.426 56.100 -0.082 0.000 0.718 23 R CB -2.593 27.664 30.300 -0.071 0.000 1.120 23 R HN 0.499 nan 8.270 nan 0.000 0.457 24 N N -0.706 117.937 118.700 -0.095 0.000 2.600 24 N HA 0.074 4.812 4.740 -0.003 0.000 0.272 24 N C 0.674 176.045 175.510 -0.232 0.000 1.095 24 N CA -0.132 52.849 53.050 -0.115 0.000 0.993 24 N CB 1.704 40.151 38.487 -0.066 0.000 1.603 24 N HN -0.183 nan 8.380 nan 0.000 0.526 25 V N 3.128 122.890 119.914 -0.254 0.000 2.287 25 V HA -0.138 3.980 4.120 -0.003 0.000 0.248 25 V C 2.404 178.143 176.094 -0.591 0.000 1.053 25 V CA 2.655 64.685 62.300 -0.450 0.000 1.027 25 V CB -0.690 31.011 31.823 -0.204 0.000 0.646 25 V HN 0.802 nan 8.190 nan 0.000 0.447 26 G N 0.170 108.764 108.800 -0.344 0.000 2.421 26 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.216 26 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.216 26 G C 1.750 176.450 174.900 -0.334 0.000 1.171 26 G CA 1.716 46.639 45.100 -0.295 0.000 0.775 26 G HN 0.584 nan 8.290 nan 0.000 0.543 27 T N -1.217 113.153 114.554 -0.306 0.000 3.014 27 T HA 0.388 4.736 4.350 -0.003 0.000 0.263 27 T C 2.511 176.796 174.700 -0.692 0.000 1.078 27 T CA 1.336 63.248 62.100 -0.315 0.000 1.135 27 T CB -0.052 68.779 68.868 -0.060 0.000 0.895 27 T HN 0.303 nan 8.240 nan 0.000 0.480 28 A N 2.045 124.395 122.820 -0.782 0.000 1.873 28 A HA 0.386 4.704 4.320 -0.003 0.000 0.215 28 A C 2.834 180.016 177.584 -0.671 0.000 1.186 28 A CA 1.677 53.196 52.037 -0.864 0.000 0.616 28 A CB -1.467 17.169 19.000 -0.607 0.000 0.823 28 A HN 0.684 nan 8.150 nan 0.000 0.442 29 A N -0.545 121.749 122.820 -0.876 0.000 1.892 29 A HA -0.197 4.121 4.320 -0.003 0.000 0.218 29 A C 2.510 179.953 177.584 -0.235 0.000 1.188 29 A CA 2.488 54.236 52.037 -0.482 0.000 0.631 29 A CB -1.200 17.531 19.000 -0.449 0.000 0.822 29 A HN 0.627 nan 8.150 nan 0.000 0.447 30 S N -0.709 114.834 115.700 -0.262 0.000 2.365 30 S HA -0.264 4.204 4.470 -0.003 0.000 0.225 30 S C 2.062 176.584 174.600 -0.130 0.000 1.039 30 S CA 1.908 60.010 58.200 -0.164 0.000 1.033 30 S CB -0.402 62.707 63.200 -0.153 0.000 0.887 30 S HN 0.686 nan 8.310 nan 0.000 0.447 31 E N -0.039 120.044 120.200 -0.194 0.000 2.153 31 E HA -0.084 4.264 4.350 -0.003 0.000 0.194 31 E C 1.739 178.317 176.600 -0.037 0.000 0.988 31 E CA 0.967 57.309 56.400 -0.097 0.000 0.811 31 E CB -0.125 29.505 29.700 -0.117 0.000 0.746 31 E HN 0.562 nan 8.360 nan 0.000 0.466 32 L N 0.061 121.260 121.223 -0.041 0.000 2.591 32 L HA 0.166 4.504 4.340 -0.003 0.000 0.228 32 L C 0.992 177.871 176.870 0.016 0.000 1.133 32 L CA 0.314 55.166 54.840 0.020 0.000 0.880 32 L CB -0.045 42.067 42.059 0.088 0.000 1.033 32 L HN 0.195 nan 8.230 nan 0.000 0.450 33 A N 1.233 124.048 122.820 -0.010 0.000 2.791 33 A HA -0.218 4.100 4.320 -0.003 0.000 0.292 33 A C 0.307 177.895 177.584 0.006 0.000 1.487 33 A CA 1.256 53.289 52.037 -0.006 0.000 0.760 33 A CB -2.518 16.482 19.000 0.001 0.000 1.031 33 A HN 0.579 nan 8.150 nan 0.000 0.503 34 I N -3.189 117.389 120.570 0.013 0.000 3.002 34 I HA 0.845 5.013 4.170 -0.003 0.000 0.310 34 I C 0.522 176.648 176.117 0.015 0.000 1.087 34 I CA -0.520 60.799 61.300 0.032 0.000 1.017 34 I CB 2.078 40.121 38.000 0.072 0.000 1.226 34 I HN 0.599 nan 8.210 nan 0.000 0.443 35 S N 2.261 117.971 115.700 0.018 0.000 2.608 35 S HA 0.489 4.957 4.470 -0.003 0.000 0.261 35 S C 1.175 175.775 174.600 -0.000 0.000 1.314 35 S CA -0.047 58.150 58.200 -0.005 0.000 0.992 35 S CB 1.417 64.615 63.200 -0.002 0.000 0.935 35 S HN 0.993 nan 8.310 nan 0.000 0.564 36 A N 1.538 124.336 122.820 -0.038 0.000 1.902 36 A HA 0.001 4.319 4.320 -0.003 0.000 0.217 36 A C 2.373 179.934 177.584 -0.038 0.000 1.181 36 A CA 1.821 53.830 52.037 -0.047 0.000 0.623 36 A CB -1.565 17.389 19.000 -0.076 0.000 0.818 36 A HN 0.836 nan 8.150 nan 0.000 0.443 37 S N 0.044 115.682 115.700 -0.104 0.000 2.355 37 S HA -0.015 4.453 4.470 -0.003 0.000 0.222 37 S C 2.346 176.716 174.600 -0.382 0.000 1.031 37 S CA 1.124 59.145 58.200 -0.299 0.000 0.993 37 S CB -0.555 62.520 63.200 -0.208 0.000 0.859 37 S HN 0.804 nan 8.310 nan 0.000 0.453 38 A N 1.300 124.069 122.820 -0.085 0.000 1.892 38 A HA -0.157 4.161 4.320 -0.003 0.000 0.218 38 A C 1.911 179.511 177.584 0.027 0.000 1.188 38 A CA 1.742 53.795 52.037 0.026 0.000 0.631 38 A CB -1.054 17.982 19.000 0.060 0.000 0.822 38 A HN 0.480 nan 8.150 nan 0.000 0.447 39 F N 1.251 121.149 119.950 -0.087 0.000 2.069 39 F HA -0.210 4.316 4.527 -0.002 0.000 0.298 39 F C 2.707 178.463 175.800 -0.073 0.000 1.113 39 F CA 2.178 60.133 58.000 -0.074 0.000 1.214 39 F CB -0.302 38.641 39.000 -0.095 0.000 0.978 39 F HN 0.217 nan 8.300 nan 0.000 0.474 40 S N -0.628 115.125 115.700 0.088 0.000 2.370 40 S HA -0.242 4.226 4.470 -0.003 0.000 0.226 40 S C 1.787 176.379 174.600 -0.012 0.000 1.033 40 S CA 1.402 59.603 58.200 0.000 0.000 1.011 40 S CB -0.675 62.490 63.200 -0.059 0.000 0.852 40 S HN 0.488 nan 8.310 nan 0.000 0.457 41 H N 1.607 120.680 119.070 0.005 0.000 2.353 41 H HA 0.098 4.652 4.556 -0.003 0.000 0.300 41 H C 2.483 177.782 175.328 -0.048 0.000 1.090 41 H CA 1.177 57.218 56.048 -0.012 0.000 1.327 41 H CB -0.995 28.765 29.762 -0.002 0.000 1.383 41 H HN 0.434 nan 8.280 nan 0.000 0.508 42 A N 1.078 123.909 122.820 0.017 0.000 1.902 42 A HA -0.127 4.191 4.320 -0.003 0.000 0.217 42 A C 2.533 180.042 177.584 -0.125 0.000 1.181 42 A CA 1.495 53.481 52.037 -0.084 0.000 0.623 42 A CB -0.820 18.077 19.000 -0.173 0.000 0.818 42 A HN 0.311 nan 8.150 nan 0.000 0.443 43 L N 0.193 121.295 121.223 -0.203 0.000 2.046 43 L HA -0.013 4.325 4.340 -0.003 0.000 0.208 43 L C 2.379 179.252 176.870 0.005 0.000 1.077 43 L CA 2.334 57.101 54.840 -0.122 0.000 0.747 43 L CB -1.110 40.866 42.059 -0.139 0.000 0.896 43 L HN 0.297 nan 8.230 nan 0.000 0.432 44 G N -0.603 108.214 108.800 0.029 0.000 2.469 44 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.219 44 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.219 44 G C 1.739 176.661 174.900 0.037 0.000 1.150 44 G CA 0.904 46.036 45.100 0.054 0.000 0.763 44 G HN 0.423 nan 8.290 nan 0.000 0.561 45 R N -0.755 119.758 120.500 0.022 0.000 2.092 45 R HA 0.026 4.364 4.340 -0.003 0.000 0.231 45 R C 2.459 178.765 176.300 0.010 0.000 1.119 45 R CA 0.888 56.994 56.100 0.009 0.000 0.970 45 R CB -0.538 29.762 30.300 -0.001 0.000 0.864 45 R HN 0.335 nan 8.270 nan 0.000 0.440 46 L N 1.393 122.625 121.223 0.015 0.000 2.017 46 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 46 L C 2.228 179.126 176.870 0.047 0.000 1.073 46 L CA 1.698 56.557 54.840 0.033 0.000 0.745 46 L CB -0.414 41.690 42.059 0.075 0.000 0.894 46 L HN 0.002 nan 8.230 nan 0.000 0.432 47 R N -1.124 119.417 120.500 0.068 0.000 2.096 47 R HA -0.250 4.088 4.340 -0.003 0.000 0.240 47 R C 2.271 178.594 176.300 0.039 0.000 1.139 47 R CA 1.876 58.019 56.100 0.071 0.000 0.952 47 R CB -0.381 29.969 30.300 0.083 0.000 0.854 47 R HN 0.459 nan 8.270 nan 0.000 0.436 48 Q N -0.331 119.487 119.800 0.029 0.000 1.942 48 Q HA -0.118 4.220 4.340 -0.003 0.000 0.203 48 Q C 2.126 178.129 176.000 0.005 0.000 0.987 48 Q CA 2.159 57.971 55.803 0.015 0.000 0.844 48 Q CB -0.688 28.057 28.738 0.011 0.000 0.911 48 Q HN 0.390 nan 8.270 nan 0.000 0.423 49 G N 0.475 109.274 108.800 -0.000 0.000 2.547 49 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.221 49 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.221 49 G C 1.153 176.042 174.900 -0.019 0.000 1.140 49 G CA 1.331 46.424 45.100 -0.012 0.000 0.760 49 G HN 0.397 nan 8.290 nan 0.000 0.583 50 L N -0.587 120.627 121.223 -0.016 0.000 2.640 50 L HA 0.194 4.532 4.340 -0.003 0.000 0.230 50 L C 0.898 177.760 176.870 -0.013 0.000 1.123 50 L CA 0.292 55.115 54.840 -0.029 0.000 0.900 50 L CB 0.102 42.130 42.059 -0.050 0.000 1.146 50 L HN 0.191 nan 8.230 nan 0.000 0.484 51 D N 1.085 121.486 120.400 0.001 0.000 2.701 51 D HA -0.234 4.403 4.640 -0.003 0.000 0.235 51 D C -0.096 176.211 176.300 0.011 0.000 1.155 51 D CA 0.888 54.892 54.000 0.007 0.000 0.649 51 D CB -0.375 40.425 40.800 0.000 0.000 1.050 51 D HN 0.442 nan 8.370 nan 0.000 0.425 52 D N -1.725 118.688 120.400 0.021 0.000 2.784 52 D HA 0.562 5.200 4.640 -0.003 0.000 0.256 52 D C 0.706 177.038 176.300 0.054 0.000 1.129 52 D CA -0.463 53.554 54.000 0.029 0.000 1.102 52 D CB 1.018 41.829 40.800 0.019 0.000 1.330 52 D HN -0.043 nan 8.370 nan 0.000 0.626 53 E N -0.881 119.358 120.200 0.065 0.000 2.474 53 E HA 0.321 4.669 4.350 -0.003 0.000 0.215 53 E C 1.175 177.862 176.600 0.145 0.000 0.867 53 E CA 0.458 56.914 56.400 0.094 0.000 1.135 53 E CB 0.135 29.879 29.700 0.073 0.000 1.147 53 E HN 0.552 nan 8.360 nan 0.000 0.534 54 L N -1.857 119.418 121.223 0.087 0.000 3.530 54 L HA -0.322 4.016 4.340 -0.003 0.000 0.357 54 L C -0.335 176.348 176.870 -0.312 0.000 2.051 54 L CA 1.865 56.708 54.840 0.005 0.000 2.804 54 L CB -1.239 40.990 42.059 0.284 0.000 1.640 54 L HN 0.082 nan 8.230 nan 0.000 0.757 55 F N -0.075 119.951 119.950 0.128 0.000 2.556 55 F HA 0.632 5.157 4.527 -0.004 0.000 0.314 55 F C -0.109 175.731 175.800 0.067 0.000 1.106 55 F CA -0.506 57.548 58.000 0.090 0.000 0.911 55 F CB 1.566 40.609 39.000 0.072 0.000 1.190 55 F HN -0.231 nan 8.300 nan 0.000 0.448 56 L N 3.273 124.619 121.223 0.205 0.000 2.265 56 L HA 0.489 4.827 4.340 -0.003 0.000 0.289 56 L C 0.336 177.276 176.870 0.116 0.000 1.033 56 L CA -0.696 54.220 54.840 0.126 0.000 0.814 56 L CB 1.442 43.547 42.059 0.077 0.000 1.203 56 L HN 0.573 nan 8.230 nan 0.000 0.423 57 R N 2.740 123.298 120.500 0.095 0.000 2.387 57 R HA 0.046 4.384 4.340 -0.003 0.000 0.321 57 R C 0.373 176.702 176.300 0.049 0.000 1.174 57 R CA 0.352 56.492 56.100 0.067 0.000 1.002 57 R CB 0.214 30.547 30.300 0.055 0.000 1.028 57 R HN 0.634 nan 8.270 nan 0.000 0.482 58 Q N 1.554 121.380 119.800 0.043 0.000 2.189 58 Q HA 0.185 4.523 4.340 -0.003 0.000 0.223 58 Q C 0.874 176.887 176.000 0.021 0.000 0.828 58 Q CA 0.149 55.971 55.803 0.031 0.000 0.967 58 Q CB 1.729 30.486 28.738 0.031 0.000 1.139 58 Q HN 0.861 nan 8.270 nan 0.000 0.497 59 G N -0.096 108.716 108.800 0.020 0.000 2.798 59 G HA2 -0.006 3.952 3.960 -0.003 0.000 0.202 59 G HA3 -0.006 3.952 3.960 -0.003 0.000 0.202 59 G C 0.646 175.549 174.900 0.005 0.000 1.149 59 G CA 0.518 45.623 45.100 0.010 0.000 0.713 59 G HN 0.252 nan 8.290 nan 0.000 0.749 60 N N -1.085 117.618 118.700 0.004 0.000 2.962 60 N HA -0.144 4.594 4.740 -0.003 0.000 0.206 60 N C 0.395 175.897 175.510 -0.013 0.000 0.907 60 N CA 0.895 53.941 53.050 -0.007 0.000 1.029 60 N CB -0.740 37.742 38.487 -0.009 0.000 1.009 60 N HN 0.437 nan 8.380 nan 0.000 0.587 61 R N 0.066 120.562 120.500 -0.006 0.000 2.540 61 R HA 0.460 4.798 4.340 -0.003 0.000 0.287 61 R C -0.008 176.301 176.300 0.014 0.000 0.980 61 R CA -0.594 55.501 56.100 -0.007 0.000 0.966 61 R CB 0.827 31.121 30.300 -0.009 0.000 1.106 61 R HN 0.055 nan 8.270 nan 0.000 0.480 62 M N 2.993 122.603 119.600 0.018 0.000 2.055 62 M HA 0.184 4.662 4.480 -0.003 0.000 0.347 62 M C -0.476 175.929 176.300 0.175 0.000 1.123 62 M CA -0.614 54.737 55.300 0.084 0.000 1.035 62 M CB 1.150 33.759 32.600 0.016 0.000 1.484 62 M HN 0.430 nan 8.290 nan 0.000 0.428 63 Q N 5.418 125.317 119.800 0.165 0.000 2.274 63 Q HA 0.437 4.775 4.340 -0.003 0.000 0.256 63 Q C -2.494 173.583 176.000 0.128 0.000 0.927 63 Q CA -1.301 54.577 55.803 0.124 0.000 0.939 63 Q CB 1.390 30.163 28.738 0.059 0.000 1.201 63 Q HN 0.274 nan 8.270 nan 0.000 0.426 64 P HA -0.015 nan 4.420 nan 0.000 0.266 64 P C -0.524 176.720 177.300 -0.094 0.000 1.195 64 P CA 0.002 62.984 63.100 -0.196 0.000 0.768 64 P CB 0.686 32.361 31.700 -0.043 0.000 0.838 65 T N 0.400 114.870 114.554 -0.140 0.000 2.715 65 T HA 0.043 4.391 4.350 -0.003 0.000 0.320 65 T C 1.183 175.877 174.700 -0.009 0.000 1.046 65 T CA 0.160 62.233 62.100 -0.045 0.000 0.983 65 T CB 0.194 69.044 68.868 -0.031 0.000 1.183 65 T HN 0.247 nan 8.240 nan 0.000 0.522 66 Q N -0.602 119.203 119.800 0.009 0.000 2.212 66 Q HA 0.222 4.560 4.340 -0.003 0.000 0.199 66 Q C 2.619 178.642 176.000 0.039 0.000 0.950 66 Q CA 1.028 56.847 55.803 0.027 0.000 0.863 66 Q CB -0.181 28.566 28.738 0.014 0.000 0.944 66 Q HN 0.591 nan 8.270 nan 0.000 0.465 67 R N 0.198 120.712 120.500 0.023 0.000 2.073 67 R HA 0.061 4.399 4.340 -0.003 0.000 0.229 67 R C 2.241 178.557 176.300 0.026 0.000 1.120 67 R CA 1.036 57.152 56.100 0.028 0.000 0.967 67 R CB -0.407 29.895 30.300 0.003 0.000 0.862 67 R HN 0.275 nan 8.270 nan 0.000 0.436 68 A N 1.193 124.030 122.820 0.028 0.000 1.892 68 A HA -0.278 4.039 4.320 -0.003 0.000 0.218 68 A C 1.988 179.694 177.584 0.203 0.000 1.188 68 A CA 1.914 54.048 52.037 0.160 0.000 0.631 68 A CB -0.546 18.448 19.000 -0.010 0.000 0.822 68 A HN 0.272 nan 8.150 nan 0.000 0.447 69 E N -0.398 119.885 120.200 0.138 0.000 2.086 69 E HA -0.270 4.078 4.350 -0.003 0.000 0.200 69 E C 1.908 178.566 176.600 0.097 0.000 1.012 69 E CA 2.073 58.571 56.400 0.163 0.000 0.812 69 E CB -0.582 29.208 29.700 0.150 0.000 0.743 69 E HN 0.813 nan 8.360 nan 0.000 0.453 70 H N -0.885 118.180 119.070 -0.009 0.000 2.357 70 H HA -0.094 4.459 4.556 -0.004 0.000 0.301 70 H C 2.064 177.347 175.328 -0.075 0.000 1.082 70 H CA 1.339 57.364 56.048 -0.039 0.000 1.342 70 H CB -0.054 29.684 29.762 -0.038 0.000 1.389 70 H HN 0.256 nan 8.280 nan 0.000 0.511 71 L N 1.382 122.467 121.223 -0.231 0.000 2.191 71 L HA -0.071 4.267 4.340 -0.003 0.000 0.212 71 L C 2.579 179.304 176.870 -0.241 0.000 1.103 71 L CA 1.655 56.276 54.840 -0.365 0.000 0.769 71 L CB -0.998 40.745 42.059 -0.527 0.000 0.908 71 L HN 0.336 nan 8.230 nan 0.000 0.438 72 A N -0.573 122.170 122.820 -0.128 0.000 1.877 72 A HA -0.127 4.191 4.320 -0.003 0.000 0.216 72 A C 2.432 179.904 177.584 -0.186 0.000 1.186 72 A CA 1.819 53.750 52.037 -0.177 0.000 0.620 72 A CB -1.027 17.365 19.000 -1.013 0.000 0.822 72 A HN 0.519 nan 8.150 nan 0.000 0.443 73 A N -0.546 122.168 122.820 -0.176 0.000 1.968 73 A HA 0.315 4.633 4.320 -0.003 0.000 0.217 73 A C 2.432 179.960 177.584 -0.094 0.000 1.169 73 A CA 1.656 53.633 52.037 -0.099 0.000 0.638 73 A CB -0.813 18.151 19.000 -0.060 0.000 0.812 73 A HN 0.932 nan 8.150 nan 0.000 0.446 74 A N -0.205 122.523 122.820 -0.153 0.000 1.858 74 A HA -0.018 4.300 4.320 -0.003 0.000 0.216 74 A C 2.189 179.720 177.584 -0.089 0.000 1.190 74 A CA 1.822 53.775 52.037 -0.140 0.000 0.617 74 A CB -1.101 17.767 19.000 -0.220 0.000 0.827 74 A HN 0.409 nan 8.150 nan 0.000 0.443 75 V N 0.181 120.047 119.914 -0.080 0.000 2.324 75 V HA -0.305 3.813 4.120 -0.003 0.000 0.250 75 V C 3.051 179.155 176.094 0.017 0.000 1.060 75 V CA 2.105 64.398 62.300 -0.012 0.000 1.042 75 V CB -1.507 30.359 31.823 0.073 0.000 0.650 75 V HN 0.638 nan 8.190 nan 0.000 0.450 76 A N 0.215 123.044 122.820 0.014 0.000 1.865 76 A HA -0.202 4.116 4.320 -0.003 0.000 0.217 76 A C 2.478 180.068 177.584 0.011 0.000 1.191 76 A CA 2.577 54.629 52.037 0.025 0.000 0.623 76 A CB -1.041 17.972 19.000 0.022 0.000 0.826 76 A HN 0.619 nan 8.150 nan 0.000 0.444 77 A N -0.281 122.535 122.820 -0.007 0.000 1.883 77 A HA 0.091 4.409 4.320 -0.003 0.000 0.217 77 A C 2.547 180.123 177.584 -0.013 0.000 1.186 77 A CA 2.518 54.548 52.037 -0.011 0.000 0.624 77 A CB -1.183 17.804 19.000 -0.022 0.000 0.822 77 A HN 1.178 nan 8.150 nan 0.000 0.444 78 A N -0.057 122.752 122.820 -0.019 0.000 1.851 78 A HA -0.131 4.187 4.320 -0.003 0.000 0.216 78 A C 2.173 179.749 177.584 -0.013 0.000 1.195 78 A CA 1.677 53.702 52.037 -0.021 0.000 0.622 78 A CB -0.827 18.157 19.000 -0.027 0.000 0.831 78 A HN 0.500 nan 8.150 nan 0.000 0.444 79 L N -1.312 119.911 121.223 -0.001 0.000 2.079 79 L HA -0.224 4.114 4.340 -0.003 0.000 0.210 79 L C 2.818 179.689 176.870 0.001 0.000 1.081 79 L CA 1.857 56.700 54.840 0.005 0.000 0.752 79 L CB -0.535 41.540 42.059 0.027 0.000 0.896 79 L HN 0.471 nan 8.230 nan 0.000 0.433 80 R N 0.218 120.720 120.500 0.003 0.000 2.070 80 R HA -0.161 4.176 4.340 -0.003 0.000 0.233 80 R C 2.455 178.750 176.300 -0.008 0.000 1.137 80 R CA 1.496 57.596 56.100 0.000 0.000 0.945 80 R CB -0.307 29.995 30.300 0.004 0.000 0.845 80 R HN 0.321 nan 8.270 nan 0.000 0.430 81 A N 1.096 123.910 122.820 -0.010 0.000 1.873 81 A HA -0.202 4.116 4.320 -0.003 0.000 0.218 81 A C 2.224 179.797 177.584 -0.019 0.000 1.193 81 A CA 1.640 53.669 52.037 -0.013 0.000 0.629 81 A CB -0.821 18.170 19.000 -0.014 0.000 0.826 81 A HN 0.362 nan 8.150 nan 0.000 0.447 82 L N -0.819 120.388 121.223 -0.026 0.000 2.012 82 L HA -0.156 4.182 4.340 -0.003 0.000 0.210 82 L C 2.901 179.746 176.870 -0.041 0.000 1.073 82 L CA 1.170 55.985 54.840 -0.042 0.000 0.748 82 L CB -1.048 40.981 42.059 -0.049 0.000 0.891 82 L HN 0.523 nan 8.230 nan 0.000 0.431 83 G N -0.266 108.518 108.800 -0.028 0.000 2.476 83 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.218 83 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.218 83 G C 1.419 176.307 174.900 -0.021 0.000 1.164 83 G CA 0.857 45.943 45.100 -0.023 0.000 0.768 83 G HN 0.442 nan 8.290 nan 0.000 0.560 84 E N 0.182 120.370 120.200 -0.019 0.000 2.072 84 E HA -0.057 4.291 4.350 -0.003 0.000 0.191 84 E C 2.841 179.444 176.600 0.004 0.000 0.985 84 E CA 0.687 57.076 56.400 -0.018 0.000 0.801 84 E CB -0.397 29.291 29.700 -0.019 0.000 0.750 84 E HN 0.407 nan 8.360 nan 0.000 0.452 85 G N 1.543 110.348 108.800 0.008 0.000 2.418 85 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.217 85 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.217 85 G C 1.597 176.545 174.900 0.080 0.000 1.158 85 G CA 0.317 45.441 45.100 0.041 0.000 0.771 85 G HN 0.089 nan 8.290 nan 0.000 0.545 86 L N -0.187 121.042 121.223 0.011 0.000 2.291 86 L HA 0.053 4.391 4.340 -0.003 0.000 0.214 86 L C 2.717 179.656 176.870 0.115 0.000 1.120 86 L CA 0.715 55.554 54.840 -0.001 0.000 0.799 86 L CB -0.179 41.822 42.059 -0.096 0.000 0.925 86 L HN 0.318 nan 8.230 nan 0.000 0.446 87 E N -0.243 120.003 120.200 0.077 0.000 2.122 87 E HA -0.193 4.155 4.350 -0.003 0.000 0.190 87 E C 1.943 178.603 176.600 0.099 0.000 0.977 87 E CA 0.344 56.785 56.400 0.069 0.000 0.820 87 E CB 0.168 29.869 29.700 0.000 0.000 0.770 87 E HN 0.349 nan 8.360 nan 0.000 0.462 88 E N 0.672 120.932 120.200 0.099 0.000 2.160 88 E HA -0.223 4.125 4.350 -0.003 0.000 0.195 88 E C 1.586 178.280 176.600 0.158 0.000 0.991 88 E CA 0.710 57.171 56.400 0.102 0.000 0.810 88 E CB -0.114 29.640 29.700 0.089 0.000 0.742 88 E HN 0.413 nan 8.360 nan 0.000 0.466 89 W N 1.152 122.448 121.300 -0.006 0.000 2.283 89 W HA -0.254 4.404 4.660 -0.003 0.000 0.335 89 W C 0.881 177.400 176.519 0.000 0.000 1.313 89 W CA 1.468 58.811 57.345 -0.004 0.000 1.263 89 W CB -0.006 29.450 29.460 -0.006 0.000 1.141 89 W HN -0.026 nan 8.180 nan 0.000 0.468 90 R N -0.424 120.131 120.500 0.091 0.000 2.832 90 R HA 0.302 4.640 4.340 -0.003 0.000 0.271 90 R C -2.104 174.206 176.300 0.017 0.000 0.996 90 R CA -1.602 54.483 56.100 -0.024 0.000 0.977 90 R CB 1.135 31.459 30.300 0.040 0.000 1.168 90 R HN -0.202 nan 8.270 nan 0.000 0.482 91 P HA -0.027 nan 4.420 nan 0.000 0.271 91 P C -0.795 176.539 177.300 0.057 0.000 1.218 91 P CA -0.100 63.020 63.100 0.034 0.000 0.780 91 P CB 0.383 32.087 31.700 0.007 0.000 0.901 92 F N 3.347 123.284 119.950 -0.021 0.000 2.571 92 F HA 0.131 4.656 4.527 -0.004 0.000 0.384 92 F C -0.362 175.379 175.800 -0.099 0.000 1.058 92 F CA 0.193 58.163 58.000 -0.051 0.000 1.200 92 F CB 0.289 39.278 39.000 -0.019 0.000 1.077 92 F HN -0.002 nan 8.300 nan 0.000 0.558 93 V N 9.807 129.214 119.914 -0.845 0.000 2.325 93 V HA 0.212 4.330 4.120 -0.003 0.000 0.280 93 V C -1.589 173.893 176.094 -1.019 0.000 1.016 93 V CA -1.208 60.675 62.300 -0.695 0.000 0.818 93 V CB 1.231 32.854 31.823 -0.333 0.000 1.019 93 V HN 0.657 nan 8.190 nan 0.000 0.434 94 P HA -0.101 nan 4.420 nan 0.000 0.216 94 P C 1.581 178.600 177.300 -0.468 0.000 1.150 94 P CA 1.475 63.969 63.100 -1.010 0.000 0.837 94 P CB 0.320 31.552 31.700 -0.779 0.000 0.786 95 G N -0.618 108.005 108.800 -0.296 0.000 2.559 95 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.216 95 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.216 95 G C 1.548 176.356 174.900 -0.153 0.000 1.126 95 G CA 0.323 45.332 45.100 -0.152 0.000 0.778 95 G HN 0.357 nan 8.290 nan 0.000 0.543 96 Q N -0.750 118.910 119.800 -0.233 0.000 2.369 96 Q HA 0.221 4.559 4.340 -0.003 0.000 0.254 96 Q C 1.006 176.903 176.000 -0.172 0.000 0.858 96 Q CA -0.202 55.498 55.803 -0.173 0.000 0.961 96 Q CB 0.424 29.065 28.738 -0.162 0.000 1.119 96 Q HN 0.302 nan 8.270 nan 0.000 0.538 97 S N 0.788 116.316 115.700 -0.286 0.000 2.561 97 S HA -0.073 4.395 4.470 -0.003 0.000 0.294 97 S C 0.334 174.910 174.600 -0.039 0.000 1.294 97 S CA 0.547 58.635 58.200 -0.187 0.000 1.055 97 S CB 0.463 63.514 63.200 -0.249 0.000 0.819 97 S HN 0.360 nan 8.310 nan 0.000 0.503 98 Q N 2.092 121.899 119.800 0.012 0.000 2.135 98 Q HA 0.195 4.533 4.340 -0.003 0.000 0.231 98 Q C 0.091 176.136 176.000 0.075 0.000 0.817 98 Q CA -0.296 55.534 55.803 0.045 0.000 1.073 98 Q CB 0.586 29.340 28.738 0.025 0.000 1.176 98 Q HN 0.539 nan 8.270 nan 0.000 0.478 99 R N 0.906 121.469 120.500 0.105 0.000 2.594 99 R HA 0.161 4.499 4.340 -0.003 0.000 0.272 99 R C -0.596 175.780 176.300 0.126 0.000 1.074 99 R CA 0.594 56.733 56.100 0.066 0.000 1.105 99 R CB 0.749 31.054 30.300 0.007 0.000 1.008 99 R HN -0.066 nan 8.270 nan 0.000 0.472 100 T N 4.800 119.393 114.554 0.066 0.000 2.749 100 T HA 0.309 4.657 4.350 -0.003 0.000 0.287 100 T C -0.620 174.149 174.700 0.114 0.000 0.970 100 T CA -0.205 61.988 62.100 0.155 0.000 0.980 100 T CB 0.255 69.197 68.868 0.123 0.000 0.924 100 T HN 0.263 nan 8.240 nan 0.000 0.456 101 F N 2.325 122.430 119.950 0.258 0.000 2.410 101 F HA 0.456 4.981 4.527 -0.003 0.000 0.349 101 F C 0.274 176.265 175.800 0.318 0.000 1.117 101 F CA -0.789 57.388 58.000 0.293 0.000 1.104 101 F CB 1.154 40.422 39.000 0.446 0.000 1.122 101 F HN 0.183 nan 8.300 nan 0.000 0.483 102 V N 5.347 125.457 119.914 0.327 0.000 2.370 102 V HA 0.325 4.443 4.120 -0.003 0.000 0.283 102 V C -0.509 175.707 176.094 0.204 0.000 1.023 102 V CA -0.770 61.694 62.300 0.274 0.000 0.857 102 V CB 0.801 32.715 31.823 0.151 0.000 0.985 102 V HN 0.484 nan 8.190 nan 0.000 0.443 103 F N 2.893 122.972 119.950 0.214 0.000 2.458 103 F HA 0.718 5.243 4.527 -0.003 0.000 0.336 103 F C 0.634 176.545 175.800 0.185 0.000 1.114 103 F CA -0.697 57.433 58.000 0.216 0.000 0.987 103 F CB 1.692 40.786 39.000 0.157 0.000 1.130 103 F HN 0.528 nan 8.300 nan 0.000 0.458 104 A N 2.727 125.752 122.820 0.342 0.000 2.366 104 A HA 0.810 5.128 4.320 -0.003 0.000 0.272 104 A C -0.342 177.466 177.584 0.372 0.000 1.135 104 A CA 0.170 52.393 52.037 0.310 0.000 0.804 104 A CB 0.125 19.273 19.000 0.247 0.000 1.064 104 A HN 0.994 nan 8.150 nan 0.000 0.499 105 A N 1.674 124.691 122.820 0.328 0.000 2.588 105 A HA 0.923 5.240 4.320 -0.003 0.000 0.290 105 A C -0.091 177.617 177.584 0.206 0.000 1.136 105 A CA 0.089 52.303 52.037 0.296 0.000 0.681 105 A CB 0.819 19.952 19.000 0.221 0.000 1.282 105 A HN 1.807 nan 8.150 nan 0.000 0.421 106 T N -2.434 112.204 114.554 0.140 0.000 2.888 106 T HA 0.518 4.866 4.350 -0.003 0.000 0.288 106 T C 0.563 175.306 174.700 0.071 0.000 1.063 106 T CA 0.300 62.400 62.100 -0.001 0.000 1.010 106 T CB 1.446 70.244 68.868 -0.117 0.000 1.214 106 T HN 0.818 nan 8.240 nan 0.000 0.533 107 D N -0.226 120.206 120.400 0.054 0.000 2.182 107 D HA -0.233 4.405 4.640 -0.003 0.000 0.201 107 D C 1.450 177.872 176.300 0.204 0.000 0.986 107 D CA 1.410 55.474 54.000 0.107 0.000 0.847 107 D CB -0.445 40.399 40.800 0.074 0.000 0.942 107 D HN 0.574 nan 8.370 nan 0.000 0.467 108 Y N 2.388 122.753 120.300 0.109 0.000 2.184 108 Y HA -0.145 4.403 4.550 -0.003 0.000 0.290 108 Y C 2.653 178.752 175.900 0.332 0.000 1.129 108 Y CA 2.779 61.000 58.100 0.203 0.000 1.144 108 Y CB -0.827 37.718 38.460 0.141 0.000 0.995 108 Y HN 0.156 nan 8.280 nan 0.000 0.513 109 T N -1.462 113.119 114.554 0.045 0.000 2.857 109 T HA -0.058 4.290 4.350 -0.003 0.000 0.266 109 T C 2.155 176.893 174.700 0.063 0.000 1.048 109 T CA 1.083 63.225 62.100 0.071 0.000 1.139 109 T CB -1.045 68.005 68.868 0.303 0.000 0.874 109 T HN 0.335 nan 8.240 nan 0.000 0.455 110 A N 1.425 124.285 122.820 0.065 0.000 1.908 110 A HA 0.029 4.347 4.320 -0.003 0.000 0.218 110 A C 2.061 179.647 177.584 0.005 0.000 1.181 110 A CA 1.711 53.754 52.037 0.009 0.000 0.627 110 A CB -1.169 17.860 19.000 0.048 0.000 0.818 110 A HN 0.617 nan 8.150 nan 0.000 0.445 111 F N 0.858 120.775 119.950 -0.055 0.000 2.146 111 F HA 0.042 4.566 4.527 -0.004 0.000 0.298 111 F C 2.361 178.123 175.800 -0.063 0.000 1.096 111 F CA 1.279 59.254 58.000 -0.041 0.000 1.275 111 F CB -0.410 38.606 39.000 0.027 0.000 1.008 111 F HN 0.227 nan 8.300 nan 0.000 0.480 112 A N 0.394 123.046 122.820 -0.280 0.000 1.897 112 A HA -0.060 4.258 4.320 -0.003 0.000 0.215 112 A C 2.065 179.508 177.584 -0.235 0.000 1.181 112 A CA 1.671 53.515 52.037 -0.322 0.000 0.620 112 A CB -1.079 17.812 19.000 -0.181 0.000 0.821 112 A HN 0.525 nan 8.150 nan 0.000 0.443 113 L N -0.720 120.383 121.223 -0.201 0.000 2.145 113 L HA 0.158 4.496 4.340 -0.003 0.000 0.201 113 L C 2.195 178.816 176.870 -0.414 0.000 1.075 113 L CA 1.297 55.868 54.840 -0.447 0.000 0.773 113 L CB -0.384 41.253 42.059 -0.704 0.000 0.936 113 L HN 0.335 nan 8.230 nan 0.000 0.451 114 L N -0.253 120.767 121.223 -0.339 0.000 2.056 114 L HA -0.081 4.257 4.340 -0.003 0.000 0.207 114 L C -0.166 176.559 176.870 -0.242 0.000 1.078 114 L CA 1.075 55.739 54.840 -0.293 0.000 0.749 114 L CB -1.834 40.095 42.059 -0.217 0.000 0.901 114 L HN 0.240 nan 8.230 nan 0.000 0.433 115 P HA -0.146 nan 4.420 nan 0.000 0.213 115 P C -1.358 175.831 177.300 -0.184 0.000 1.170 115 P CA 1.683 64.666 63.100 -0.196 0.000 0.902 115 P CB -1.172 30.394 31.700 -0.223 0.000 0.789 116 P HA -0.113 nan 4.420 nan 0.000 0.217 116 P C 1.757 178.942 177.300 -0.190 0.000 1.151 116 P CA 1.055 64.050 63.100 -0.175 0.000 0.828 116 P CB -0.311 31.281 31.700 -0.179 0.000 0.788 117 L N -0.753 120.317 121.223 -0.256 0.000 2.017 117 L HA -0.109 4.229 4.340 -0.003 0.000 0.208 117 L C 2.371 179.120 176.870 -0.202 0.000 1.073 117 L CA 2.134 56.808 54.840 -0.276 0.000 0.745 117 L CB -1.102 40.720 42.059 -0.395 0.000 0.894 117 L HN -0.183 nan 8.230 nan 0.000 0.432 118 M N -0.953 118.536 119.600 -0.185 0.000 2.349 118 M HA -0.067 4.411 4.480 -0.003 0.000 0.266 118 M C 2.064 178.285 176.300 -0.130 0.000 1.076 118 M CA 1.123 56.338 55.300 -0.141 0.000 1.126 118 M CB -1.732 30.790 32.600 -0.130 0.000 1.392 118 M HN 0.436 nan 8.290 nan 0.000 0.440 119 N N 0.960 119.589 118.700 -0.119 0.000 2.149 119 N HA -0.198 4.540 4.740 -0.003 0.000 0.188 119 N C 1.836 177.313 175.510 -0.056 0.000 1.019 119 N CA 1.485 54.482 53.050 -0.088 0.000 0.857 119 N CB 0.029 38.481 38.487 -0.058 0.000 0.997 119 N HN 0.370 nan 8.380 nan 0.000 0.426 120 R N 0.047 120.518 120.500 -0.048 0.000 2.064 120 R HA 0.077 4.414 4.340 -0.003 0.000 0.221 120 R C 2.066 178.373 176.300 0.012 0.000 1.136 120 R CA 0.676 56.782 56.100 0.011 0.000 0.980 120 R CB -0.368 29.914 30.300 -0.030 0.000 0.876 120 R HN 0.252 nan 8.270 nan 0.000 0.437 121 L N 1.928 123.137 121.223 -0.023 0.000 2.083 121 L HA -0.208 4.130 4.340 -0.003 0.000 0.209 121 L C 2.796 179.667 176.870 0.003 0.000 1.083 121 L CA 1.729 56.598 54.840 0.047 0.000 0.752 121 L CB -0.751 41.345 42.059 0.062 0.000 0.899 121 L HN 0.447 nan 8.230 nan 0.000 0.433 122 Q N -0.756 118.970 119.800 -0.124 0.000 2.308 122 Q HA -0.239 4.099 4.340 -0.003 0.000 0.209 122 Q C 1.646 177.499 176.000 -0.245 0.000 0.985 122 Q CA 1.633 57.311 55.803 -0.208 0.000 0.881 122 Q CB -0.223 28.322 28.738 -0.323 0.000 0.917 122 Q HN 0.587 nan 8.270 nan 0.000 0.443 123 H N 0.375 119.466 119.070 0.034 0.000 2.406 123 H HA 0.111 4.664 4.556 -0.003 0.000 0.304 123 H C 2.338 177.696 175.328 0.049 0.000 1.042 123 H CA 1.486 57.554 56.048 0.033 0.000 1.360 123 H CB 0.088 29.863 29.762 0.022 0.000 1.448 123 H HN 0.491 nan 8.280 nan 0.000 0.553 124 S N 0.176 115.990 115.700 0.190 0.000 2.528 124 S HA 0.341 4.809 4.470 -0.003 0.000 0.219 124 S C 1.184 175.887 174.600 0.172 0.000 0.985 124 S CA 0.266 58.573 58.200 0.179 0.000 0.914 124 S CB 0.368 63.691 63.200 0.205 0.000 0.776 124 S HN 0.358 nan 8.310 nan 0.000 0.526 125 A N 1.466 124.381 122.820 0.159 0.000 3.422 125 A HA 0.632 4.950 4.320 -0.003 0.000 0.271 125 A C -2.499 175.139 177.584 0.090 0.000 1.104 125 A CA -0.850 51.258 52.037 0.119 0.000 0.899 125 A CB 0.524 19.654 19.000 0.215 0.000 1.309 125 A HN 0.227 nan 8.150 nan 0.000 0.580 126 P HA -0.007 nan 4.420 nan 0.000 0.230 126 P C 1.498 178.823 177.300 0.041 0.000 1.158 126 P CA 1.731 64.854 63.100 0.039 0.000 0.769 126 P CB 0.401 32.120 31.700 0.032 0.000 0.807 127 G N -1.035 107.790 108.800 0.041 0.000 2.744 127 G HA2 0.032 3.990 3.960 -0.003 0.000 0.211 127 G HA3 0.032 3.990 3.960 -0.003 0.000 0.211 127 G C 0.347 175.302 174.900 0.092 0.000 1.146 127 G CA 0.063 45.189 45.100 0.044 0.000 0.787 127 G HN 0.122 nan 8.290 nan 0.000 0.534 128 V N 1.168 121.168 119.914 0.142 0.000 2.637 128 V HA 0.371 4.489 4.120 -0.003 0.000 0.296 128 V C 0.287 176.524 176.094 0.238 0.000 1.046 128 V CA -0.137 62.319 62.300 0.260 0.000 1.066 128 V CB 1.037 33.099 31.823 0.399 0.000 0.968 128 V HN 0.261 nan 8.190 nan 0.000 0.483 129 R N 3.686 124.351 120.500 0.274 0.000 2.732 129 R HA 0.764 5.102 4.340 -0.003 0.000 0.278 129 R C -1.398 175.082 176.300 0.300 0.000 0.976 129 R CA -0.630 55.602 56.100 0.220 0.000 0.963 129 R CB 1.507 31.910 30.300 0.171 0.000 1.150 129 R HN 0.477 nan 8.270 nan 0.000 0.478 130 L N 1.095 122.445 121.223 0.213 0.000 2.362 130 L HA 0.569 4.907 4.340 -0.003 0.000 0.271 130 L C -0.596 176.391 176.870 0.196 0.000 1.002 130 L CA -0.350 54.637 54.840 0.245 0.000 0.818 130 L CB 1.800 43.914 42.059 0.091 0.000 1.298 130 L HN 0.476 nan 8.230 nan 0.000 0.420 131 R N 2.944 123.601 120.500 0.262 0.000 2.483 131 R HA 0.687 5.025 4.340 -0.003 0.000 0.303 131 R C -1.893 174.546 176.300 0.232 0.000 0.987 131 R CA -0.663 55.554 56.100 0.195 0.000 0.881 131 R CB 1.057 31.459 30.300 0.171 0.000 1.177 131 R HN 0.456 nan 8.270 nan 0.000 0.451 132 L N 4.824 126.146 121.223 0.165 0.000 2.325 132 L HA 0.560 4.898 4.340 -0.003 0.000 0.278 132 L C -0.565 176.394 176.870 0.148 0.000 1.023 132 L CA -0.653 54.295 54.840 0.180 0.000 0.811 132 L CB 1.982 44.108 42.059 0.111 0.000 1.249 132 L HN 0.498 nan 8.230 nan 0.000 0.431 133 V N -0.393 119.623 119.914 0.170 0.000 2.876 133 V HA 0.654 4.772 4.120 -0.003 0.000 0.312 133 V C -0.524 175.659 176.094 0.148 0.000 1.085 133 V CA -0.945 61.438 62.300 0.137 0.000 0.945 133 V CB 2.028 33.929 31.823 0.130 0.000 1.017 133 V HN 0.658 nan 8.190 nan 0.000 0.428 134 N N 2.561 121.332 118.700 0.118 0.000 2.442 134 N HA 0.653 5.390 4.740 -0.003 0.000 0.265 134 N C -0.040 175.568 175.510 0.162 0.000 1.138 134 N CA 0.404 53.530 53.050 0.127 0.000 0.956 134 N CB 1.689 40.221 38.487 0.076 0.000 1.067 134 N HN 1.183 nan 8.380 nan 0.000 0.474 135 A N 1.852 124.819 122.820 0.246 0.000 2.337 135 A HA 0.320 4.638 4.320 -0.003 0.000 0.331 135 A C 1.097 178.872 177.584 0.319 0.000 1.137 135 A CA -0.584 51.596 52.037 0.237 0.000 0.807 135 A CB 1.078 20.203 19.000 0.209 0.000 1.250 135 A HN 0.678 nan 8.150 nan 0.000 0.468 136 E N 0.238 120.550 120.200 0.187 0.000 2.130 136 E HA -0.169 4.179 4.350 -0.003 0.000 0.196 136 E C 0.452 177.132 176.600 0.133 0.000 0.998 136 E CA 1.339 57.837 56.400 0.163 0.000 0.806 136 E CB 0.016 29.758 29.700 0.071 0.000 0.738 136 E HN 0.652 nan 8.360 nan 0.000 0.459 137 R N -0.673 119.770 120.500 -0.094 0.000 2.831 137 R HA 0.232 4.570 4.340 -0.003 0.000 0.266 137 R C 0.687 176.460 176.300 -0.878 0.000 1.051 137 R CA -0.736 54.998 56.100 -0.609 0.000 0.943 137 R CB 0.275 30.324 30.300 -0.418 0.000 1.228 137 R HN -0.238 nan 8.270 nan 0.000 0.467 138 K N 0.325 119.814 120.400 -1.518 0.000 2.063 138 K HA -0.085 4.233 4.320 -0.003 0.000 0.208 138 K C 0.552 176.884 176.600 -0.448 0.000 1.048 138 K CA 1.385 57.070 56.287 -1.003 0.000 0.928 138 K CB -0.409 31.399 32.500 -1.154 0.000 0.713 138 K HN 0.374 nan 8.250 nan 0.000 0.442 139 L N 1.346 122.303 121.223 -0.443 0.000 2.492 139 L HA 0.282 4.619 4.340 -0.003 0.000 0.258 139 L C -1.013 175.726 176.870 -0.217 0.000 1.028 139 L CA 0.029 54.688 54.840 -0.302 0.000 0.900 139 L CB 1.792 43.624 42.059 -0.379 0.000 1.191 139 L HN 0.006 nan 8.230 nan 0.000 0.459 140 S N 1.877 117.487 115.700 -0.149 0.000 2.694 140 S HA 0.054 4.522 4.470 -0.003 0.000 0.211 140 S C 1.544 176.089 174.600 -0.092 0.000 1.328 140 S CA 0.305 58.438 58.200 -0.111 0.000 1.236 140 S CB 0.409 63.561 63.200 -0.080 0.000 1.121 140 S HN 0.556 nan 8.310 nan 0.000 0.517 141 V N 1.916 121.766 119.914 -0.106 0.000 2.365 141 V HA -0.379 3.739 4.120 -0.003 0.000 0.267 141 V C 2.057 178.057 176.094 -0.156 0.000 1.150 141 V CA 2.899 65.126 62.300 -0.121 0.000 1.119 141 V CB -0.455 31.297 31.823 -0.118 0.000 0.776 141 V HN 0.858 nan 8.190 nan 0.000 0.455 142 E N -0.254 119.875 120.200 -0.119 0.000 2.086 142 E HA -0.278 4.070 4.350 -0.003 0.000 0.200 142 E C 2.263 178.810 176.600 -0.089 0.000 1.012 142 E CA 1.845 58.182 56.400 -0.106 0.000 0.812 142 E CB -0.520 29.140 29.700 -0.067 0.000 0.743 142 E HN 0.840 nan 8.360 nan 0.000 0.453 143 A N 0.975 123.759 122.820 -0.060 0.000 1.917 143 A HA -0.196 4.122 4.320 -0.003 0.000 0.219 143 A C 2.242 179.808 177.584 -0.031 0.000 1.182 143 A CA 1.488 53.507 52.037 -0.030 0.000 0.633 143 A CB -0.725 18.269 19.000 -0.011 0.000 0.819 143 A HN 0.339 nan 8.150 nan 0.000 0.448 144 L N -1.225 119.968 121.223 -0.050 0.000 2.141 144 L HA -0.144 4.194 4.340 -0.003 0.000 0.209 144 L C 3.036 179.895 176.870 -0.017 0.000 1.094 144 L CA 0.872 55.695 54.840 -0.028 0.000 0.763 144 L CB -0.447 41.608 42.059 -0.007 0.000 0.908 144 L HN 0.470 nan 8.230 nan 0.000 0.437 145 A N -0.434 122.289 122.820 -0.162 0.000 1.855 145 A HA -0.143 4.175 4.320 -0.003 0.000 0.213 145 A C 2.455 180.047 177.584 0.013 0.000 1.195 145 A CA 1.549 53.512 52.037 -0.122 0.000 0.610 145 A CB -0.687 18.089 19.000 -0.373 0.000 0.837 145 A HN 0.341 nan 8.150 nan 0.000 0.444 146 S N -0.895 114.789 115.700 -0.026 0.000 2.400 146 S HA -0.029 4.438 4.470 -0.003 0.000 0.234 146 S C 1.689 176.293 174.600 0.007 0.000 1.049 146 S CA 1.745 59.942 58.200 -0.005 0.000 1.039 146 S CB -0.779 62.415 63.200 -0.010 0.000 0.856 146 S HN 1.917 nan 8.310 nan 0.000 0.465 147 G N 0.686 109.492 108.800 0.010 0.000 2.136 147 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.242 147 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.242 147 G C 0.806 175.709 174.900 0.005 0.000 0.989 147 G CA 0.384 45.489 45.100 0.008 0.000 0.682 147 G HN 0.301 nan 8.290 nan 0.000 0.522 148 R N -0.452 120.053 120.500 0.009 0.000 2.159 148 R HA 0.108 4.446 4.340 -0.003 0.000 0.237 148 R C 1.248 177.565 176.300 0.029 0.000 1.131 148 R CA 1.136 57.248 56.100 0.020 0.000 0.982 148 R CB -0.209 30.104 30.300 0.022 0.000 0.868 148 R HN 0.611 nan 8.270 nan 0.000 0.453 149 I N 0.240 120.821 120.570 0.018 0.000 2.533 149 I HA 0.096 4.264 4.170 -0.003 0.000 0.290 149 I C 0.483 176.571 176.117 -0.048 0.000 1.056 149 I CA -0.488 60.821 61.300 0.015 0.000 1.057 149 I CB 2.642 40.663 38.000 0.036 0.000 1.240 149 I HN -0.172 nan 8.210 nan 0.000 0.423 150 D N 4.717 125.056 120.400 -0.103 0.000 2.149 150 D HA 0.053 4.691 4.640 -0.003 0.000 0.201 150 D C -0.172 175.617 176.300 -0.853 0.000 0.972 150 D CA 1.872 55.669 54.000 -0.338 0.000 0.835 150 D CB 0.387 41.095 40.800 -0.154 0.000 0.966 150 D HN 0.206 nan 8.370 nan 0.000 0.476 151 F N -0.896 118.855 119.950 -0.332 0.000 2.662 151 F HA 0.529 5.054 4.527 -0.003 0.000 0.312 151 F C -0.700 175.079 175.800 -0.034 0.000 1.113 151 F CA -1.141 56.687 58.000 -0.286 0.000 0.951 151 F CB 1.916 40.526 39.000 -0.651 0.000 1.344 151 F HN -0.289 nan 8.300 nan 0.000 0.462 152 A N 1.759 124.821 122.820 0.403 0.000 2.449 152 A HA 0.909 5.227 4.320 -0.003 0.000 0.302 152 A C -1.696 176.259 177.584 0.620 0.000 1.048 152 A CA -0.588 51.704 52.037 0.426 0.000 0.708 152 A CB 1.379 20.534 19.000 0.259 0.000 1.274 152 A HN 0.697 nan 8.150 nan 0.000 0.410 153 L N 1.109 122.683 121.223 0.585 0.000 2.313 153 L HA 0.926 5.264 4.340 -0.003 0.000 0.268 153 L C 0.806 178.062 176.870 0.643 0.000 1.010 153 L CA -0.062 55.183 54.840 0.675 0.000 0.814 153 L CB 2.125 44.544 42.059 0.599 0.000 1.304 153 L HN 1.238 nan 8.230 nan 0.000 0.441 154 G N -0.129 109.086 108.800 0.692 0.000 2.350 154 G HA2 0.216 4.174 3.960 -0.003 0.000 0.282 154 G HA3 0.216 4.174 3.960 -0.003 0.000 0.282 154 G C -2.168 173.115 174.900 0.638 0.000 1.314 154 G CA -0.359 45.088 45.100 0.578 0.000 0.915 154 G HN 0.688 nan 8.290 nan 0.000 0.499 155 Y N -1.296 119.243 120.300 0.397 0.000 2.669 155 Y HA 0.815 5.363 4.550 -0.003 0.000 0.335 155 Y C -1.141 174.933 175.900 0.289 0.000 1.116 155 Y CA -1.524 56.789 58.100 0.354 0.000 1.081 155 Y CB 1.398 40.032 38.460 0.291 0.000 1.297 155 Y HN 0.356 nan 8.280 nan 0.000 0.484 156 D N 1.917 122.576 120.400 0.433 0.000 2.373 156 D HA 0.129 4.767 4.640 -0.003 0.000 0.227 156 D C -0.820 175.654 176.300 0.290 0.000 1.091 156 D CA -0.238 53.908 54.000 0.244 0.000 0.840 156 D CB 1.687 42.628 40.800 0.235 0.000 1.060 156 D HN 0.711 nan 8.370 nan 0.000 0.502 157 E N 1.760 122.045 120.200 0.141 0.000 2.354 157 E HA 0.023 4.371 4.350 -0.003 0.000 0.269 157 E C -0.205 176.473 176.600 0.129 0.000 1.036 157 E CA -0.331 56.182 56.400 0.187 0.000 0.876 157 E CB 0.626 30.365 29.700 0.065 0.000 1.009 157 E HN 0.288 nan 8.360 nan 0.000 0.416 158 E N 2.961 123.262 120.200 0.168 0.000 2.222 158 E HA -0.309 4.039 4.350 -0.003 0.000 0.189 158 E C -0.151 176.496 176.600 0.079 0.000 1.415 158 E CA 1.589 58.085 56.400 0.159 0.000 0.689 158 E CB -2.391 27.354 29.700 0.075 0.000 1.107 158 E HN 0.904 nan 8.360 nan 0.000 0.350 159 H N -0.968 118.154 119.070 0.087 0.000 2.726 159 H HA -0.336 4.218 4.556 -0.003 0.000 0.315 159 H C 0.051 175.419 175.328 0.068 0.000 1.032 159 H CA 1.239 57.332 56.048 0.075 0.000 1.166 159 H CB -1.714 28.079 29.762 0.052 0.000 1.377 159 H HN 0.752 nan 8.280 nan 0.000 0.377 160 E N 0.945 121.089 120.200 -0.093 0.000 2.467 160 E HA -0.057 4.291 4.350 -0.003 0.000 0.264 160 E C 0.731 177.312 176.600 -0.031 0.000 1.020 160 E CA -0.040 56.291 56.400 -0.116 0.000 0.945 160 E CB 0.614 30.271 29.700 -0.072 0.000 0.942 160 E HN 0.623 nan 8.360 nan 0.000 0.449 161 R N 1.032 121.507 120.500 -0.042 0.000 2.120 161 R HA -0.065 4.273 4.340 -0.003 0.000 0.234 161 R C 0.028 176.348 176.300 0.033 0.000 1.123 161 R CA 0.957 57.058 56.100 0.002 0.000 0.975 161 R CB -0.979 29.316 30.300 -0.008 0.000 0.866 161 R HN 0.671 nan 8.270 nan 0.000 0.446 162 L N -3.059 118.180 121.223 0.028 0.000 0.651 162 L HA -0.112 4.226 4.340 -0.003 0.000 0.358 162 L C -2.678 174.211 176.870 0.032 0.000 1.004 162 L CA -1.098 53.769 54.840 0.045 0.000 1.222 162 L CB -1.684 40.459 42.059 0.142 0.000 0.111 162 L HN 0.028 nan 8.230 nan 0.000 0.117 163 P HA 0.254 nan 4.420 nan 0.000 0.274 163 P C -0.462 176.858 177.300 0.033 0.000 1.260 163 P CA -0.287 62.816 63.100 0.006 0.000 0.793 163 P CB 0.418 32.105 31.700 -0.021 0.000 1.048 164 E N -0.701 119.515 120.200 0.028 0.000 2.373 164 E HA 0.329 4.677 4.350 -0.003 0.000 0.267 164 E C 0.913 177.559 176.600 0.076 0.000 1.032 164 E CA 0.183 56.610 56.400 0.045 0.000 0.889 164 E CB -0.150 29.570 29.700 0.033 0.000 0.984 164 E HN 0.802 nan 8.360 nan 0.000 0.425 165 G N 2.451 111.312 108.800 0.102 0.000 2.162 165 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.260 165 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.260 165 G C 0.058 175.107 174.900 0.248 0.000 0.976 165 G CA -0.247 44.957 45.100 0.173 0.000 0.655 165 G HN 0.392 nan 8.290 nan 0.000 0.533 166 I N 1.309 121.982 120.570 0.173 0.000 2.406 166 I HA 0.416 4.584 4.170 -0.003 0.000 0.290 166 I C 0.517 176.730 176.117 0.161 0.000 0.999 166 I CA -0.860 60.555 61.300 0.193 0.000 1.124 166 I CB 1.380 39.478 38.000 0.163 0.000 1.289 166 I HN 0.562 nan 8.210 nan 0.000 0.441 167 Q N 5.605 125.503 119.800 0.163 0.000 2.306 167 Q HA 0.965 5.303 4.340 -0.003 0.000 0.269 167 Q C -1.411 174.649 176.000 0.099 0.000 1.053 167 Q CA -1.016 54.845 55.803 0.097 0.000 0.879 167 Q CB 2.976 31.746 28.738 0.055 0.000 1.344 167 Q HN 0.622 nan 8.270 nan 0.000 0.464 168 A N 0.725 123.500 122.820 -0.075 0.000 2.594 168 A HA 0.634 4.952 4.320 -0.003 0.000 0.295 168 A C -2.000 175.400 177.584 -0.307 0.000 1.071 168 A CA -0.660 51.272 52.037 -0.175 0.000 0.685 168 A CB 1.592 20.392 19.000 -0.333 0.000 1.285 168 A HN 0.830 nan 8.150 nan 0.000 0.405 169 H N 0.833 119.865 119.070 -0.063 0.000 2.689 169 H HA 0.417 4.971 4.556 -0.004 0.000 0.346 169 H C -1.153 174.211 175.328 0.060 0.000 1.037 169 H CA -0.405 55.653 56.048 0.015 0.000 1.234 169 H CB 1.382 31.169 29.762 0.042 0.000 1.572 169 H HN 0.643 nan 8.280 nan 0.000 0.524 170 D N 2.478 122.948 120.400 0.116 0.000 2.423 170 D HA -0.063 4.575 4.640 -0.003 0.000 0.238 170 D C 0.729 177.148 176.300 0.199 0.000 1.142 170 D CA 0.126 54.166 54.000 0.066 0.000 0.884 170 D CB 0.783 41.583 40.800 0.000 0.000 1.199 170 D HN 0.785 nan 8.370 nan 0.000 0.438 171 W N 0.698 122.026 121.300 0.047 0.000 1.868 171 W HA 0.241 4.899 4.660 -0.003 0.000 0.203 171 W C -0.959 175.643 176.519 0.138 0.000 0.857 171 W CA -0.422 56.949 57.345 0.044 0.000 0.992 171 W CB 0.235 29.690 29.460 -0.009 0.000 0.847 171 W HN 0.170 nan 8.180 nan 0.000 0.579 172 F N 2.755 122.365 119.950 -0.566 0.000 2.588 172 F HA 0.702 5.227 4.527 -0.003 0.000 0.318 172 F C -0.878 174.661 175.800 -0.434 0.000 1.155 172 F CA -1.509 56.195 58.000 -0.493 0.000 0.967 172 F CB 1.360 39.959 39.000 -0.668 0.000 1.236 172 F HN 0.026 nan 8.300 nan 0.000 0.455 173 A N 4.259 126.505 122.820 -0.956 0.000 2.292 173 A HA 0.706 5.024 4.320 -0.003 0.000 0.319 173 A C -1.182 175.551 177.584 -1.418 0.000 1.206 173 A CA -0.149 51.323 52.037 -0.941 0.000 0.835 173 A CB 0.977 19.647 19.000 -0.549 0.000 1.164 173 A HN 0.740 nan 8.150 nan 0.000 0.505 174 D N -0.097 119.504 120.400 -1.331 0.000 2.677 174 D HA 0.575 5.213 4.640 -0.003 0.000 0.298 174 D C -0.660 175.072 176.300 -0.947 0.000 1.250 174 D CA -0.392 52.951 54.000 -1.095 0.000 0.888 174 D CB 1.265 41.534 40.800 -0.886 0.000 1.397 174 D HN 0.726 nan 8.370 nan 0.000 0.461 175 R N -0.264 119.945 120.500 -0.486 0.000 2.867 175 R HA 0.569 4.907 4.340 -0.003 0.000 0.268 175 R C -0.948 175.317 176.300 -0.058 0.000 1.014 175 R CA -0.807 55.167 56.100 -0.211 0.000 0.946 175 R CB 0.671 30.893 30.300 -0.130 0.000 1.208 175 R HN 0.294 nan 8.270 nan 0.000 0.477 176 Y N 0.054 120.385 120.300 0.052 0.000 2.301 176 Y HA 0.475 5.023 4.550 -0.004 0.000 0.328 176 Y C 0.224 176.113 175.900 -0.019 0.000 1.242 176 Y CA 0.088 58.212 58.100 0.039 0.000 1.323 176 Y CB 1.646 40.129 38.460 0.038 0.000 1.266 176 Y HN 0.257 nan 8.280 nan 0.000 0.527 177 V N 2.123 122.136 119.914 0.165 0.000 3.048 177 V HA 0.371 4.489 4.120 -0.003 0.000 0.303 177 V C -1.382 174.788 176.094 0.127 0.000 1.214 177 V CA -1.007 61.339 62.300 0.077 0.000 0.984 177 V CB 2.565 34.397 31.823 0.015 0.000 1.054 177 V HN 0.417 nan 8.190 nan 0.000 0.430 178 V N 4.789 124.787 119.914 0.140 0.000 2.394 178 V HA 0.548 4.666 4.120 -0.003 0.000 0.282 178 V C -0.217 175.991 176.094 0.189 0.000 1.031 178 V CA -0.441 61.996 62.300 0.229 0.000 0.881 178 V CB 1.628 33.642 31.823 0.318 0.000 0.982 178 V HN 0.558 nan 8.190 nan 0.000 0.451 179 V N 4.014 124.016 119.914 0.147 0.000 2.513 179 V HA 0.927 5.045 4.120 -0.003 0.000 0.299 179 V C 0.198 176.354 176.094 0.103 0.000 1.035 179 V CA -0.265 62.074 62.300 0.064 0.000 0.889 179 V CB 1.730 33.563 31.823 0.016 0.000 0.988 179 V HN 1.057 nan 8.190 nan 0.000 0.440 180 A N 4.519 127.396 122.820 0.095 0.000 2.572 180 A HA 0.767 5.085 4.320 -0.003 0.000 0.295 180 A C -0.269 177.374 177.584 0.098 0.000 1.072 180 A CA -0.985 51.128 52.037 0.127 0.000 0.691 180 A CB 1.403 20.483 19.000 0.134 0.000 1.291 180 A HN 0.975 nan 8.150 nan 0.000 0.404 181 R N 1.137 121.703 120.500 0.110 0.000 2.697 181 R HA 0.115 4.453 4.340 -0.003 0.000 0.265 181 R C 0.362 176.717 176.300 0.093 0.000 1.009 181 R CA 0.232 56.370 56.100 0.064 0.000 1.099 181 R CB 0.445 30.766 30.300 0.035 0.000 0.965 181 R HN 0.773 nan 8.270 nan 0.000 0.428 182 R N 0.803 121.329 120.500 0.043 0.000 2.103 182 R HA -0.136 4.201 4.340 -0.003 0.000 0.242 182 R C 0.302 176.651 176.300 0.083 0.000 1.142 182 R CA 2.044 58.174 56.100 0.050 0.000 0.960 182 R CB -0.020 30.288 30.300 0.013 0.000 0.858 182 R HN 0.709 nan 8.270 nan 0.000 0.439 183 D N -0.231 120.207 120.400 0.064 0.000 2.706 183 D HA -0.018 4.620 4.640 -0.003 0.000 0.236 183 D C -0.325 176.020 176.300 0.076 0.000 1.231 183 D CA 0.074 54.108 54.000 0.057 0.000 0.828 183 D CB -0.350 40.462 40.800 0.019 0.000 1.015 183 D HN 0.222 nan 8.370 nan 0.000 0.484 184 H N 2.199 121.282 119.070 0.022 0.000 3.001 184 H HA -0.009 4.545 4.556 -0.003 0.000 0.334 184 H C -1.352 173.978 175.328 0.003 0.000 1.034 184 H CA -0.711 55.343 56.048 0.009 0.000 1.420 184 H CB 1.478 31.259 29.762 0.030 0.000 1.405 184 H HN -0.043 nan 8.280 nan 0.000 0.593 185 P HA -0.099 nan 4.420 nan 0.000 0.225 185 P C 0.607 177.994 177.300 0.145 0.000 1.148 185 P CA 1.138 64.247 63.100 0.015 0.000 0.779 185 P CB 0.179 31.832 31.700 -0.079 0.000 0.780 186 R N -1.328 119.405 120.500 0.388 0.000 2.616 186 R HA 0.390 4.728 4.340 -0.003 0.000 0.427 186 R C -0.835 175.499 176.300 0.056 0.000 1.030 186 R CA -0.374 55.840 56.100 0.190 0.000 1.133 186 R CB -0.109 30.272 30.300 0.135 0.000 1.444 186 R HN 0.033 nan 8.270 nan 0.000 0.578 187 L N 0.936 122.184 121.223 0.042 0.000 2.476 187 L HA 0.569 4.906 4.340 -0.003 0.000 0.269 187 L C -0.315 176.550 176.870 -0.008 0.000 0.965 187 L CA -0.274 54.493 54.840 -0.121 0.000 0.845 187 L CB 2.346 44.206 42.059 -0.333 0.000 1.259 187 L HN 0.251 nan 8.230 nan 0.000 0.403 188 A N 2.374 125.175 122.820 -0.033 0.000 2.663 188 A HA 0.848 5.166 4.320 -0.003 0.000 0.273 188 A C 0.174 177.786 177.584 0.047 0.000 0.932 188 A CA 0.309 52.387 52.037 0.068 0.000 1.055 188 A CB 0.195 19.236 19.000 0.068 0.000 1.206 188 A HN 0.788 nan 8.150 nan 0.000 0.485 189 G N -1.198 107.502 108.800 -0.167 0.000 2.451 189 G HA2 0.633 4.591 3.960 -0.003 0.000 0.292 189 G HA3 0.633 4.591 3.960 -0.003 0.000 0.292 189 G C -0.297 174.194 174.900 -0.682 0.000 1.427 189 G CA 0.072 45.080 45.100 -0.155 0.000 0.792 189 G HN 1.279 nan 8.290 nan 0.000 0.498 190 A N 1.082 123.680 122.820 -0.371 0.000 2.565 190 A HA 0.544 4.862 4.320 -0.003 0.000 0.237 190 A C -1.433 175.949 177.584 -0.336 0.000 1.053 190 A CA -0.066 51.751 52.037 -0.366 0.000 0.755 190 A CB -0.433 18.538 19.000 -0.048 0.000 0.980 190 A HN 0.558 nan 8.150 nan 0.000 0.506 191 P HA 0.265 nan 4.420 nan 0.000 0.277 191 P C 0.242 177.536 177.300 -0.011 0.000 1.240 191 P CA -0.134 62.899 63.100 -0.112 0.000 0.798 191 P CB 0.868 32.561 31.700 -0.012 0.000 0.979 192 T N -0.373 114.188 114.554 0.012 0.000 2.732 192 T HA 0.086 4.434 4.350 -0.003 0.000 0.287 192 T C 1.296 176.057 174.700 0.103 0.000 0.993 192 T CA -0.584 61.539 62.100 0.038 0.000 0.966 192 T CB 0.175 69.060 68.868 0.028 0.000 1.047 192 T HN 0.227 nan 8.240 nan 0.000 0.527 193 L N 0.410 121.694 121.223 0.102 0.000 2.027 193 L HA 0.039 4.377 4.340 -0.003 0.000 0.206 193 L C 2.808 179.781 176.870 0.171 0.000 1.074 193 L CA 2.134 57.065 54.840 0.151 0.000 0.745 193 L CB -1.034 41.085 42.059 0.101 0.000 0.898 193 L HN 0.973 nan 8.230 nan 0.000 0.433 194 E N -0.767 119.497 120.200 0.106 0.000 2.118 194 E HA -0.214 4.134 4.350 -0.003 0.000 0.195 194 E C 2.031 178.695 176.600 0.107 0.000 0.992 194 E CA 1.270 57.725 56.400 0.092 0.000 0.804 194 E CB -0.475 29.258 29.700 0.055 0.000 0.741 194 E HN 0.613 nan 8.360 nan 0.000 0.458 195 G N 0.037 108.897 108.800 0.101 0.000 2.421 195 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.216 195 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.216 195 G C 1.400 176.375 174.900 0.125 0.000 1.171 195 G CA 0.906 46.053 45.100 0.077 0.000 0.775 195 G HN 0.443 nan 8.290 nan 0.000 0.543 196 Y N 1.022 121.366 120.300 0.074 0.000 2.114 196 Y HA -0.098 4.450 4.550 -0.004 0.000 0.282 196 Y C 2.405 178.447 175.900 0.236 0.000 1.165 196 Y CA 1.629 59.828 58.100 0.166 0.000 1.148 196 Y CB -0.143 38.459 38.460 0.238 0.000 0.972 196 Y HN 0.098 nan 8.280 nan 0.000 0.504 197 L N -0.393 121.029 121.223 0.332 0.000 2.599 197 L HA 0.044 4.381 4.340 -0.003 0.000 0.230 197 L C 2.333 179.284 176.870 0.134 0.000 1.141 197 L CA 0.524 55.496 54.840 0.220 0.000 0.877 197 L CB -0.429 41.729 42.059 0.166 0.000 1.009 197 L HN 0.302 nan 8.230 nan 0.000 0.447 198 A N -1.133 121.749 122.820 0.104 0.000 2.072 198 A HA 0.038 4.355 4.320 -0.003 0.000 0.216 198 A C 1.136 178.749 177.584 0.048 0.000 1.156 198 A CA 0.453 52.530 52.037 0.066 0.000 0.701 198 A CB 0.026 19.059 19.000 0.055 0.000 0.816 198 A HN 0.172 nan 8.150 nan 0.000 0.458 199 E N 0.294 120.499 120.200 0.008 0.000 2.342 199 E HA 0.349 4.697 4.350 -0.003 0.000 0.257 199 E C -0.225 176.306 176.600 -0.115 0.000 1.150 199 E CA -0.305 56.053 56.400 -0.070 0.000 0.926 199 E CB 0.481 30.047 29.700 -0.224 0.000 1.074 199 E HN 0.364 nan 8.360 nan 0.000 0.449 200 R N 0.397 120.834 120.500 -0.105 0.000 2.532 200 R HA 0.411 4.749 4.340 -0.003 0.000 0.272 200 R C 0.090 176.110 176.300 -0.467 0.000 1.032 200 R CA -0.482 55.519 56.100 -0.165 0.000 1.089 200 R CB 0.847 31.054 30.300 -0.155 0.000 1.098 200 R HN 0.448 nan 8.270 nan 0.000 0.526 201 H N -0.569 118.310 119.070 -0.318 0.000 2.690 201 H HA 0.404 4.958 4.556 -0.003 0.000 0.368 201 H C -0.816 174.347 175.328 -0.274 0.000 1.150 201 H CA -0.825 55.090 56.048 -0.221 0.000 1.174 201 H CB 2.238 31.902 29.762 -0.162 0.000 1.684 201 H HN 0.662 nan 8.280 nan 0.000 0.538 202 A N 2.147 124.961 122.820 -0.010 0.000 2.309 202 A HA 0.517 4.835 4.320 -0.003 0.000 0.298 202 A C -0.015 177.610 177.584 0.068 0.000 1.165 202 A CA -0.573 51.478 52.037 0.023 0.000 0.821 202 A CB 0.605 19.674 19.000 0.114 0.000 1.102 202 A HN 0.427 nan 8.150 nan 0.000 0.500 203 V N 1.544 121.484 119.914 0.043 0.000 2.789 203 V HA 0.746 4.864 4.120 -0.003 0.000 0.311 203 V C -0.892 175.229 176.094 0.045 0.000 1.073 203 V CA -0.608 61.725 62.300 0.055 0.000 0.921 203 V CB 1.699 33.545 31.823 0.037 0.000 1.009 203 V HN 0.664 nan 8.190 nan 0.000 0.426 204 V N 5.126 125.073 119.914 0.055 0.000 2.350 204 V HA 0.514 4.632 4.120 -0.003 0.000 0.276 204 V C 0.676 176.785 176.094 0.026 0.000 1.028 204 V CA 0.365 62.684 62.300 0.033 0.000 0.860 204 V CB 1.386 33.228 31.823 0.031 0.000 0.990 204 V HN 1.099 nan 8.190 nan 0.000 0.453 205 T N 2.957 117.513 114.554 0.004 0.000 3.253 205 T HA 0.343 4.691 4.350 -0.003 0.000 0.391 205 T C -2.130 172.539 174.700 -0.051 0.000 1.527 205 T CA -1.834 60.274 62.100 0.014 0.000 1.268 205 T CB 1.292 70.179 68.868 0.033 0.000 1.126 205 T HN 0.370 nan 8.240 nan 0.000 0.620 206 P HA 0.018 nan 4.420 nan 0.000 0.222 206 P C 0.154 177.065 177.300 -0.649 0.000 1.147 206 P CA 0.662 63.434 63.100 -0.545 0.000 0.790 206 P CB 0.112 31.179 31.700 -1.055 0.000 0.780 207 W N -0.486 120.829 121.300 0.026 0.000 2.390 207 W HA 0.258 4.915 4.660 -0.004 0.000 0.397 207 W C -0.069 176.457 176.519 0.012 0.000 0.839 207 W CA -0.450 56.905 57.345 0.017 0.000 2.576 207 W CB -0.846 28.615 29.460 0.002 0.000 1.346 207 W HN 0.064 nan 8.180 nan 0.000 0.708 208 N N 1.654 120.425 118.700 0.118 0.000 2.710 208 N HA -0.209 4.529 4.740 -0.003 0.000 0.249 208 N C 0.370 175.934 175.510 0.091 0.000 1.059 208 N CA 1.466 54.565 53.050 0.082 0.000 0.720 208 N CB -1.355 37.175 38.487 0.071 0.000 0.983 208 N HN 0.418 nan 8.380 nan 0.000 0.544 209 E N 0.229 120.497 120.200 0.113 0.000 2.391 209 E HA 0.096 4.444 4.350 -0.003 0.000 0.255 209 E C 0.460 177.092 176.600 0.054 0.000 1.187 209 E CA -0.139 56.315 56.400 0.090 0.000 0.941 209 E CB 0.590 30.357 29.700 0.110 0.000 1.010 209 E HN 0.122 nan 8.360 nan 0.000 0.458 210 D N 0.077 120.500 120.400 0.038 0.000 2.183 210 D HA -0.069 4.569 4.640 -0.003 0.000 0.203 210 D C 0.701 177.010 176.300 0.015 0.000 0.969 210 D CA 1.217 55.230 54.000 0.021 0.000 0.842 210 D CB -0.050 40.758 40.800 0.013 0.000 0.957 210 D HN 0.456 nan 8.370 nan 0.000 0.484 211 S N -1.252 114.459 115.700 0.020 0.000 2.651 211 S HA 0.710 5.178 4.470 -0.003 0.000 0.279 211 S C 0.124 174.740 174.600 0.026 0.000 1.148 211 S CA -0.766 57.441 58.200 0.012 0.000 0.837 211 S CB 1.759 64.957 63.200 -0.002 0.000 1.138 211 S HN 0.159 nan 8.310 nan 0.000 0.478 212 G N -0.224 108.588 108.800 0.020 0.000 2.504 212 G HA2 0.465 4.423 3.960 -0.003 0.000 0.288 212 G HA3 0.465 4.423 3.960 -0.003 0.000 0.288 212 G C 0.914 175.831 174.900 0.028 0.000 1.182 212 G CA -0.294 44.828 45.100 0.036 0.000 0.894 212 G HN 1.238 nan 8.290 nan 0.000 0.521 213 V N 1.174 121.114 119.914 0.043 0.000 2.380 213 V HA -0.179 3.939 4.120 -0.003 0.000 0.251 213 V C 2.585 178.665 176.094 -0.023 0.000 1.063 213 V CA 2.008 64.324 62.300 0.026 0.000 1.055 213 V CB -0.539 31.330 31.823 0.075 0.000 0.657 213 V HN 0.600 nan 8.190 nan 0.000 0.455 214 I N 0.411 120.954 120.570 -0.044 0.000 2.439 214 I HA -0.109 4.058 4.170 -0.003 0.000 0.251 214 I C 2.170 178.268 176.117 -0.033 0.000 1.139 214 I CA 1.562 62.847 61.300 -0.025 0.000 1.438 214 I CB -0.522 37.498 38.000 0.033 0.000 1.085 214 I HN 0.366 nan 8.210 nan 0.000 0.427 215 D N 0.504 120.886 120.400 -0.031 0.000 2.117 215 D HA -0.176 4.462 4.640 -0.003 0.000 0.197 215 D C 2.307 178.574 176.300 -0.055 0.000 0.987 215 D CA 1.169 55.137 54.000 -0.054 0.000 0.829 215 D CB -0.213 40.563 40.800 -0.040 0.000 0.961 215 D HN 0.351 nan 8.370 nan 0.000 0.460 216 R N 0.147 120.629 120.500 -0.031 0.000 2.081 216 R HA -0.099 4.239 4.340 -0.003 0.000 0.235 216 R C 2.352 178.633 176.300 -0.031 0.000 1.131 216 R CA 0.435 56.520 56.100 -0.024 0.000 0.960 216 R CB -0.413 29.883 30.300 -0.006 0.000 0.856 216 R HN 0.132 nan 8.270 nan 0.000 0.436 217 L N 1.251 122.455 121.223 -0.031 0.000 2.012 217 L HA -0.143 4.195 4.340 -0.003 0.000 0.210 217 L C 1.892 178.708 176.870 -0.090 0.000 1.073 217 L CA 1.683 56.504 54.840 -0.030 0.000 0.748 217 L CB -0.532 41.528 42.059 0.002 0.000 0.891 217 L HN 0.149 nan 8.230 nan 0.000 0.431 218 L N -0.734 120.394 121.223 -0.158 0.000 2.056 218 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 218 L C 2.665 179.437 176.870 -0.164 0.000 1.078 218 L CA 1.120 55.804 54.840 -0.260 0.000 0.749 218 L CB -0.789 41.076 42.059 -0.322 0.000 0.901 218 L HN 0.395 nan 8.230 nan 0.000 0.433 219 A N 0.170 122.925 122.820 -0.110 0.000 1.948 219 A HA -0.256 4.062 4.320 -0.003 0.000 0.220 219 A C 2.281 179.829 177.584 -0.060 0.000 1.177 219 A CA 1.653 53.645 52.037 -0.076 0.000 0.636 219 A CB -0.571 18.396 19.000 -0.055 0.000 0.815 219 A HN 0.349 nan 8.150 nan 0.000 0.449 220 R N -0.212 120.256 120.500 -0.052 0.000 2.170 220 R HA -0.081 4.257 4.340 -0.003 0.000 0.242 220 R C 1.357 177.634 176.300 -0.039 0.000 1.145 220 R CA 1.479 57.559 56.100 -0.033 0.000 0.984 220 R CB -0.255 30.035 30.300 -0.016 0.000 0.869 220 R HN 0.460 nan 8.270 nan 0.000 0.455 221 S N -0.779 114.883 115.700 -0.063 0.000 2.572 221 S HA 0.170 4.638 4.470 -0.003 0.000 0.228 221 S C 0.743 175.304 174.600 -0.066 0.000 0.963 221 S CA 0.378 58.540 58.200 -0.064 0.000 0.939 221 S CB 1.381 64.529 63.200 -0.087 0.000 0.804 221 S HN 0.611 nan 8.310 nan 0.000 0.480 222 G N 1.839 110.602 108.800 -0.062 0.000 2.273 222 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.280 222 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.280 222 G C -0.201 174.658 174.900 -0.069 0.000 1.047 222 G CA 0.183 45.249 45.100 -0.056 0.000 0.869 222 G HN 0.471 nan 8.290 nan 0.000 0.502 223 L N -1.551 119.612 121.223 -0.100 0.000 2.333 223 L HA 0.902 5.240 4.340 -0.003 0.000 0.269 223 L C 0.402 177.203 176.870 -0.114 0.000 1.010 223 L CA -1.337 53.434 54.840 -0.115 0.000 0.818 223 L CB 2.133 44.087 42.059 -0.176 0.000 1.306 223 L HN 0.143 nan 8.230 nan 0.000 0.430 224 R N 1.052 121.494 120.500 -0.096 0.000 2.574 224 R HA 0.487 4.825 4.340 -0.003 0.000 0.288 224 R C -1.229 175.014 176.300 -0.095 0.000 1.004 224 R CA -0.649 55.398 56.100 -0.088 0.000 0.895 224 R CB 1.731 31.996 30.300 -0.060 0.000 1.191 224 R HN 0.690 nan 8.270 nan 0.000 0.444 225 R N 1.555 121.972 120.500 -0.138 0.000 2.668 225 R HA 0.373 4.711 4.340 -0.003 0.000 0.279 225 R C -0.843 175.384 176.300 -0.123 0.000 0.976 225 R CA -0.887 55.090 56.100 -0.204 0.000 0.978 225 R CB 1.440 31.414 30.300 -0.544 0.000 1.133 225 R HN 0.535 nan 8.270 nan 0.000 0.484 226 E N 2.254 122.442 120.200 -0.021 0.000 2.129 226 E HA 0.132 4.480 4.350 -0.003 0.000 0.283 226 E C -0.923 175.693 176.600 0.026 0.000 1.080 226 E CA -0.576 55.834 56.400 0.017 0.000 0.867 226 E CB 1.060 30.783 29.700 0.039 0.000 1.056 226 E HN 0.389 nan 8.360 nan 0.000 0.404 227 V N 4.809 124.699 119.914 -0.041 0.000 2.406 227 V HA 0.219 4.337 4.120 -0.003 0.000 0.272 227 V C 0.910 176.915 176.094 -0.148 0.000 1.043 227 V CA 0.204 62.458 62.300 -0.076 0.000 0.915 227 V CB 0.901 32.689 31.823 -0.058 0.000 0.988 227 V HN 0.872 nan 8.190 nan 0.000 0.466 228 A N 4.890 127.525 122.820 -0.308 0.000 1.956 228 A HA 0.434 4.752 4.320 -0.003 0.000 0.212 228 A C 0.640 178.078 177.584 -0.244 0.000 1.188 228 A CA 0.520 52.319 52.037 -0.397 0.000 0.675 228 A CB 0.402 18.764 19.000 -1.063 0.000 0.845 228 A HN 0.616 nan 8.150 nan 0.000 0.455 229 V N 0.226 120.013 119.914 -0.212 0.000 2.733 229 V HA 0.375 4.493 4.120 -0.003 0.000 0.306 229 V C -1.051 175.022 176.094 -0.035 0.000 1.084 229 V CA -0.649 61.609 62.300 -0.071 0.000 0.905 229 V CB 1.638 33.464 31.823 0.006 0.000 1.010 229 V HN 0.477 nan 8.190 nan 0.000 0.424 230 Q N 4.033 123.827 119.800 -0.011 0.000 2.337 230 Q HA 0.898 5.236 4.340 -0.003 0.000 0.266 230 Q C -1.159 174.848 176.000 0.013 0.000 1.023 230 Q CA -0.642 55.163 55.803 0.003 0.000 0.829 230 Q CB 2.701 31.440 28.738 0.002 0.000 1.306 230 Q HN 0.782 nan 8.270 nan 0.000 0.449 231 L N -0.262 120.969 121.223 0.014 0.000 2.622 231 L HA 0.675 5.013 4.340 -0.003 0.000 0.258 231 L C -2.637 174.230 176.870 -0.006 0.000 0.996 231 L CA -2.031 52.816 54.840 0.011 0.000 0.858 231 L CB 2.342 44.415 42.059 0.024 0.000 1.449 231 L HN 0.313 nan 8.230 nan 0.000 0.411 232 P HA 0.107 nan 4.420 nan 0.000 0.255 232 P C 0.080 177.336 177.300 -0.074 0.000 1.248 232 P CA 0.371 63.428 63.100 -0.071 0.000 0.807 232 P CB 0.424 32.068 31.700 -0.093 0.000 1.150 233 T N 0.133 114.671 114.554 -0.027 0.000 2.815 233 T HA 0.219 4.567 4.350 -0.003 0.000 0.289 233 T C 1.342 176.048 174.700 0.011 0.000 1.000 233 T CA -0.310 61.786 62.100 -0.006 0.000 0.958 233 T CB 1.788 70.660 68.868 0.007 0.000 0.944 233 T HN -0.349 nan 8.240 nan 0.000 0.442 234 V N 4.381 124.300 119.914 0.008 0.000 2.343 234 V HA -0.137 3.981 4.120 -0.003 0.000 0.247 234 V C 2.389 178.467 176.094 -0.028 0.000 1.051 234 V CA 1.638 63.927 62.300 -0.018 0.000 1.036 234 V CB -0.637 31.155 31.823 -0.051 0.000 0.654 234 V HN 0.781 nan 8.190 nan 0.000 0.451 235 L N 0.127 121.341 121.223 -0.014 0.000 2.056 235 L HA -0.093 4.245 4.340 -0.003 0.000 0.207 235 L C 2.747 179.697 176.870 0.133 0.000 1.078 235 L CA 1.501 56.336 54.840 -0.009 0.000 0.749 235 L CB -0.812 41.244 42.059 -0.005 0.000 0.901 235 L HN 0.371 nan 8.230 nan 0.000 0.433 236 A N 0.060 122.955 122.820 0.126 0.000 1.969 236 A HA -0.079 4.238 4.320 -0.003 0.000 0.218 236 A C 2.513 180.191 177.584 0.156 0.000 1.169 236 A CA 1.478 53.614 52.037 0.166 0.000 0.635 236 A CB -0.490 18.559 19.000 0.082 0.000 0.810 236 A HN 0.386 nan 8.150 nan 0.000 0.445 237 A N -0.171 122.702 122.820 0.088 0.000 1.930 237 A HA 0.010 4.328 4.320 -0.003 0.000 0.217 237 A C 2.116 179.732 177.584 0.054 0.000 1.175 237 A CA 1.344 53.426 52.037 0.075 0.000 0.627 237 A CB -0.558 18.471 19.000 0.049 0.000 0.815 237 A HN 0.459 nan 8.150 nan 0.000 0.443 238 L N -1.998 119.220 121.223 -0.009 0.000 2.042 238 L HA -0.198 4.139 4.340 -0.003 0.000 0.210 238 L C 2.450 179.221 176.870 -0.165 0.000 1.076 238 L CA 1.533 56.300 54.840 -0.121 0.000 0.749 238 L CB -0.573 41.339 42.059 -0.245 0.000 0.893 238 L HN 0.407 nan 8.230 nan 0.000 0.432 239 F N -0.897 119.040 119.950 -0.021 0.000 2.186 239 F HA -0.222 4.302 4.527 -0.003 0.000 0.299 239 F C 2.237 178.034 175.800 -0.005 0.000 1.090 239 F CA 0.948 58.938 58.000 -0.016 0.000 1.307 239 F CB -0.341 38.648 39.000 -0.019 0.000 1.019 239 F HN 0.009 nan 8.300 nan 0.000 0.489 240 L N 0.769 122.102 121.223 0.184 0.000 1.989 240 L HA -0.162 4.176 4.340 -0.003 0.000 0.211 240 L C 2.421 179.343 176.870 0.087 0.000 1.071 240 L CA 2.113 57.032 54.840 0.131 0.000 0.749 240 L CB -1.304 40.848 42.059 0.156 0.000 0.890 240 L HN 0.051 nan 8.230 nan 0.000 0.431 241 A N -0.480 122.392 122.820 0.087 0.000 1.940 241 A HA -0.120 4.198 4.320 -0.003 0.000 0.219 241 A C 2.307 179.900 177.584 0.015 0.000 1.176 241 A CA 1.652 53.731 52.037 0.070 0.000 0.631 241 A CB -1.639 17.398 19.000 0.062 0.000 0.814 241 A HN 0.582 nan 8.150 nan 0.000 0.446 242 G N -1.586 107.209 108.800 -0.008 0.000 2.471 242 G HA2 0.047 4.005 3.960 -0.003 0.000 0.219 242 G HA3 0.047 4.005 3.960 -0.003 0.000 0.219 242 G C 1.268 176.163 174.900 -0.008 0.000 1.125 242 G CA 1.140 46.227 45.100 -0.021 0.000 0.775 242 G HN 0.495 nan 8.290 nan 0.000 0.548 243 S N -0.372 115.322 115.700 -0.010 0.000 2.593 243 S HA 0.269 4.737 4.470 -0.003 0.000 0.236 243 S C 0.562 175.084 174.600 -0.130 0.000 0.991 243 S CA 0.222 58.397 58.200 -0.042 0.000 0.963 243 S CB 0.518 63.713 63.200 -0.008 0.000 0.865 243 S HN 0.641 nan 8.310 nan 0.000 0.488 244 T N -1.696 112.744 114.554 -0.189 0.000 2.778 244 T HA 0.438 4.786 4.350 -0.003 0.000 0.293 244 T C -1.080 173.425 174.700 -0.323 0.000 1.144 244 T CA -0.689 61.170 62.100 -0.401 0.000 1.010 244 T CB 1.209 69.571 68.868 -0.843 0.000 1.325 244 T HN -0.227 nan 8.240 nan 0.000 0.515 245 D N 0.097 120.234 120.400 -0.438 0.000 2.358 245 D HA 0.259 4.897 4.640 -0.003 0.000 0.224 245 D C -0.412 175.964 176.300 0.127 0.000 1.123 245 D CA -0.081 53.788 54.000 -0.219 0.000 0.833 245 D CB -0.314 40.249 40.800 -0.396 0.000 0.946 245 D HN 0.324 nan 8.370 nan 0.000 0.505 246 F N 0.936 120.897 119.950 0.017 0.000 2.429 246 F HA 0.263 4.788 4.527 -0.003 0.000 0.348 246 F C 1.066 176.838 175.800 -0.046 0.000 1.109 246 F CA -0.937 57.037 58.000 -0.043 0.000 1.232 246 F CB 0.316 39.296 39.000 -0.033 0.000 1.157 246 F HN -0.268 nan 8.300 nan 0.000 0.564 247 L N 4.024 125.257 121.223 0.016 0.000 2.325 247 L HA 0.556 4.894 4.340 -0.003 0.000 0.279 247 L C -0.665 176.251 176.870 0.076 0.000 1.054 247 L CA -1.028 53.797 54.840 -0.025 0.000 0.804 247 L CB 1.689 43.610 42.059 -0.230 0.000 1.200 247 L HN 0.450 nan 8.230 nan 0.000 0.436 248 L N 1.729 123.034 121.223 0.136 0.000 2.385 248 L HA 0.538 4.876 4.340 -0.003 0.000 0.273 248 L C -0.518 176.478 176.870 0.210 0.000 0.990 248 L CA 0.194 55.131 54.840 0.161 0.000 0.821 248 L CB 2.208 44.333 42.059 0.109 0.000 1.279 248 L HN 0.470 nan 8.230 nan 0.000 0.412 249 T N 4.660 119.373 114.554 0.265 0.000 2.770 249 T HA 0.890 5.238 4.350 -0.003 0.000 0.297 249 T C -0.335 174.591 174.700 0.376 0.000 0.997 249 T CA -0.116 62.177 62.100 0.322 0.000 0.949 249 T CB 0.991 70.084 68.868 0.375 0.000 0.941 249 T HN 0.875 nan 8.240 nan 0.000 0.457 250 A N 4.973 127.987 122.820 0.323 0.000 2.594 250 A HA 0.887 5.205 4.320 -0.003 0.000 0.291 250 A C -3.129 174.304 177.584 -0.252 0.000 1.105 250 A CA -2.098 49.993 52.037 0.091 0.000 0.694 250 A CB 1.120 20.110 19.000 -0.018 0.000 1.291 250 A HN 0.463 nan 8.150 nan 0.000 0.410 251 P HA 0.206 nan 4.420 nan 0.000 0.268 251 P C 0.592 177.796 177.300 -0.160 0.000 1.204 251 P CA -0.121 62.671 63.100 -0.513 0.000 0.768 251 P CB 0.647 31.924 31.700 -0.706 0.000 0.842 252 R N 2.705 123.185 120.500 -0.034 0.000 2.081 252 R HA -0.234 4.104 4.340 -0.003 0.000 0.235 252 R C 1.876 178.269 176.300 0.156 0.000 1.131 252 R CA 1.609 57.730 56.100 0.034 0.000 0.960 252 R CB -0.574 29.741 30.300 0.024 0.000 0.856 252 R HN 0.590 nan 8.270 nan 0.000 0.436 253 H N 0.152 119.348 119.070 0.210 0.000 2.319 253 H HA -0.111 4.443 4.556 -0.004 0.000 0.297 253 H C 1.695 177.240 175.328 0.361 0.000 1.097 253 H CA 2.341 58.607 56.048 0.363 0.000 1.285 253 H CB -0.275 29.858 29.762 0.618 0.000 1.368 253 H HN 0.345 nan 8.280 nan 0.000 0.495 254 A N 0.652 123.632 122.820 0.267 0.000 1.873 254 A HA -0.028 4.290 4.320 -0.003 0.000 0.215 254 A C 2.672 180.127 177.584 -0.215 0.000 1.186 254 A CA 1.894 53.823 52.037 -0.180 0.000 0.616 254 A CB -1.381 17.488 19.000 -0.218 0.000 0.823 254 A HN 0.613 nan 8.150 nan 0.000 0.442 255 A N -0.051 122.693 122.820 -0.127 0.000 1.883 255 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 255 A C 2.234 179.751 177.584 -0.113 0.000 1.186 255 A CA 1.547 53.505 52.037 -0.131 0.000 0.624 255 A CB -0.537 18.407 19.000 -0.094 0.000 0.822 255 A HN 0.495 nan 8.150 nan 0.000 0.444 256 R N -0.417 120.051 120.500 -0.053 0.000 2.091 256 R HA -0.159 4.179 4.340 -0.003 0.000 0.238 256 R C 2.428 178.701 176.300 -0.046 0.000 1.136 256 R CA 1.410 57.489 56.100 -0.035 0.000 0.959 256 R CB -0.908 29.406 30.300 0.024 0.000 0.856 256 R HN 0.537 nan 8.270 nan 0.000 0.437 257 A N 0.926 123.718 122.820 -0.047 0.000 1.940 257 A HA -0.122 4.195 4.320 -0.003 0.000 0.219 257 A C 1.878 179.411 177.584 -0.085 0.000 1.176 257 A CA 1.304 53.324 52.037 -0.028 0.000 0.631 257 A CB -0.144 18.889 19.000 0.055 0.000 0.814 257 A HN 0.129 nan 8.150 nan 0.000 0.446 258 L N -1.236 119.882 121.223 -0.174 0.000 2.640 258 L HA 0.319 4.656 4.340 -0.003 0.000 0.230 258 L C 2.502 179.230 176.870 -0.237 0.000 1.123 258 L CA 0.798 55.485 54.840 -0.255 0.000 0.900 258 L CB -0.538 41.266 42.059 -0.425 0.000 1.146 258 L HN 0.328 nan 8.230 nan 0.000 0.484 259 A N -0.294 122.429 122.820 -0.161 0.000 1.892 259 A HA -0.189 4.129 4.320 -0.003 0.000 0.218 259 A C 2.258 179.772 177.584 -0.116 0.000 1.188 259 A CA 1.705 53.658 52.037 -0.139 0.000 0.631 259 A CB -0.221 18.714 19.000 -0.108 0.000 0.822 259 A HN 0.337 nan 8.150 nan 0.000 0.447 260 E N -0.409 119.741 120.200 -0.082 0.000 2.072 260 E HA -0.031 4.317 4.350 -0.003 0.000 0.190 260 E C 2.389 178.961 176.600 -0.046 0.000 0.982 260 E CA 1.139 57.508 56.400 -0.052 0.000 0.803 260 E CB -0.605 29.079 29.700 -0.027 0.000 0.755 260 E HN 0.556 nan 8.360 nan 0.000 0.453 261 A N 1.179 123.966 122.820 -0.056 0.000 1.902 261 A HA -0.051 4.267 4.320 -0.003 0.000 0.217 261 A C 2.259 179.839 177.584 -0.006 0.000 1.181 261 A CA 2.049 54.092 52.037 0.010 0.000 0.623 261 A CB -0.316 18.722 19.000 0.063 0.000 0.818 261 A HN 0.241 nan 8.150 nan 0.000 0.443 262 A N -2.106 120.563 122.820 -0.252 0.000 2.147 262 A HA 0.446 4.764 4.320 -0.003 0.000 0.211 262 A C 1.552 179.061 177.584 -0.125 0.000 1.160 262 A CA 1.115 52.965 52.037 -0.313 0.000 0.781 262 A CB -0.599 17.986 19.000 -0.692 0.000 0.842 262 A HN 1.987 nan 8.150 nan 0.000 0.475 263 G N -0.326 108.412 108.800 -0.102 0.000 2.452 263 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.275 263 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.275 263 G C -0.353 174.510 174.900 -0.063 0.000 1.131 263 G CA 0.233 45.300 45.100 -0.057 0.000 1.031 263 G HN 0.474 nan 8.290 nan 0.000 0.511 264 L N -0.400 120.768 121.223 -0.093 0.000 2.319 264 L HA 0.934 5.272 4.340 -0.003 0.000 0.267 264 L C 0.621 177.420 176.870 -0.118 0.000 1.011 264 L CA -0.872 53.910 54.840 -0.096 0.000 0.818 264 L CB 2.109 44.090 42.059 -0.131 0.000 1.316 264 L HN 0.478 nan 8.230 nan 0.000 0.432 265 A N 1.717 124.448 122.820 -0.150 0.000 2.340 265 A HA 0.867 5.185 4.320 -0.003 0.000 0.331 265 A C -1.223 176.049 177.584 -0.520 0.000 1.140 265 A CA -0.434 51.411 52.037 -0.320 0.000 0.801 265 A CB 1.255 20.097 19.000 -0.264 0.000 1.234 265 A HN 0.448 nan 8.150 nan 0.000 0.469 266 L N 1.749 122.578 121.223 -0.656 0.000 2.356 266 L HA 0.632 4.970 4.340 -0.003 0.000 0.277 266 L C -1.319 175.160 176.870 -0.652 0.000 0.996 266 L CA -0.011 54.526 54.840 -0.507 0.000 0.822 266 L CB 1.310 43.224 42.059 -0.242 0.000 1.256 266 L HN 0.646 nan 8.230 nan 0.000 0.413 267 Y N 3.098 123.396 120.300 -0.004 0.000 2.512 267 Y HA 0.663 5.211 4.550 -0.003 0.000 0.348 267 Y C -2.260 173.625 175.900 -0.026 0.000 0.990 267 Y CA -2.644 55.449 58.100 -0.011 0.000 1.033 267 Y CB 1.406 39.864 38.460 -0.004 0.000 1.259 267 Y HN 0.422 nan 8.280 nan 0.000 0.461 268 P HA 0.273 nan 4.420 nan 0.000 0.274 268 P C -0.775 176.494 177.300 -0.051 0.000 1.246 268 P CA -0.290 62.815 63.100 0.009 0.000 0.795 268 P CB 0.938 32.629 31.700 -0.015 0.000 1.006 269 A N 2.651 125.344 122.820 -0.212 0.000 2.340 269 A HA 0.438 4.756 4.320 -0.003 0.000 0.268 269 A C -1.546 175.762 177.584 -0.460 0.000 1.100 269 A CA -1.268 50.473 52.037 -0.494 0.000 0.803 269 A CB -0.610 17.828 19.000 -0.936 0.000 1.043 269 A HN 0.423 nan 8.150 nan 0.000 0.488 270 P HA 0.151 nan 4.420 nan 0.000 0.253 270 P C -0.626 176.649 177.300 -0.042 0.000 1.281 270 P CA 0.525 63.544 63.100 -0.135 0.000 0.792 270 P CB -0.593 31.112 31.700 0.007 0.000 1.193 271 F N -2.890 116.967 119.950 -0.154 0.000 2.664 271 F HA 0.623 5.148 4.527 -0.004 0.000 0.317 271 F C -0.733 175.008 175.800 -0.098 0.000 1.108 271 F CA -1.753 56.169 58.000 -0.130 0.000 0.957 271 F CB 0.378 39.275 39.000 -0.172 0.000 1.365 271 F HN -0.444 nan 8.300 nan 0.000 0.475 272 D N 2.121 122.609 120.400 0.146 0.000 2.316 272 D HA 0.425 5.063 4.640 -0.003 0.000 0.245 272 D C -0.420 175.930 176.300 0.083 0.000 1.171 272 D CA 0.392 54.420 54.000 0.048 0.000 0.856 272 D CB 1.343 42.171 40.800 0.045 0.000 1.090 272 D HN 0.471 nan 8.370 nan 0.000 0.476 273 I N 4.538 125.103 120.570 -0.008 0.000 2.382 273 I HA 0.211 4.379 4.170 -0.003 0.000 0.286 273 I C -1.962 174.173 176.117 0.031 0.000 1.002 273 I CA -1.939 59.372 61.300 0.018 0.000 1.135 273 I CB 1.694 39.677 38.000 -0.029 0.000 1.288 273 I HN 0.049 nan 8.210 nan 0.000 0.448 274 P HA 0.193 nan 4.420 nan 0.000 0.268 274 P C -2.539 174.794 177.300 0.054 0.000 1.204 274 P CA -0.980 62.146 63.100 0.043 0.000 0.768 274 P CB -0.145 31.594 31.700 0.065 0.000 0.842 275 P HA 0.085 nan 4.420 nan 0.000 0.271 275 P C -0.604 176.629 177.300 -0.111 0.000 1.216 275 P CA -0.006 63.039 63.100 -0.092 0.000 0.776 275 P CB 0.259 31.854 31.700 -0.175 0.000 0.881 276 Y N 1.391 121.578 120.300 -0.188 0.000 2.458 276 Y HA 0.625 5.173 4.550 -0.003 0.000 0.322 276 Y C -0.271 175.453 175.900 -0.293 0.000 1.259 276 Y CA -1.490 56.427 58.100 -0.305 0.000 1.302 276 Y CB 0.875 38.885 38.460 -0.750 0.000 1.314 276 Y HN 0.296 nan 8.280 nan 0.000 0.509 277 V N 1.184 121.091 119.914 -0.011 0.000 2.487 277 V HA 0.511 4.628 4.120 -0.003 0.000 0.298 277 V C -0.827 175.333 176.094 0.111 0.000 1.028 277 V CA -1.237 61.011 62.300 -0.087 0.000 0.860 277 V CB 1.168 32.943 31.823 -0.081 0.000 0.991 277 V HN 0.924 nan 8.190 nan 0.000 0.427 278 L N 5.662 126.823 121.223 -0.103 0.000 2.360 278 L HA 0.578 4.916 4.340 -0.003 0.000 0.276 278 L C 0.576 177.149 176.870 -0.496 0.000 1.121 278 L CA -0.162 54.528 54.840 -0.251 0.000 0.845 278 L CB 0.665 42.263 42.059 -0.769 0.000 1.143 278 L HN 0.693 nan 8.230 nan 0.000 0.452 279 R N 2.995 123.477 120.500 -0.029 0.000 2.778 279 R HA 0.560 4.898 4.340 -0.003 0.000 0.277 279 R C -1.157 175.323 176.300 0.300 0.000 0.977 279 R CA -1.189 54.908 56.100 -0.006 0.000 0.950 279 R CB 2.461 32.586 30.300 -0.292 0.000 1.165 279 R HN 0.300 nan 8.270 nan 0.000 0.474 280 L N 2.192 123.586 121.223 0.285 0.000 2.282 280 L HA 0.379 4.717 4.340 -0.003 0.000 0.288 280 L C -1.391 175.497 176.870 0.031 0.000 1.033 280 L CA -0.294 54.691 54.840 0.242 0.000 0.807 280 L CB 0.582 42.721 42.059 0.132 0.000 1.209 280 L HN 0.396 nan 8.230 nan 0.000 0.423 281 Y N 3.004 123.526 120.300 0.370 0.000 2.360 281 Y HA 0.700 5.248 4.550 -0.004 0.000 0.337 281 Y C 0.302 176.373 175.900 0.285 0.000 1.039 281 Y CA -0.464 57.807 58.100 0.286 0.000 1.109 281 Y CB 1.963 40.542 38.460 0.198 0.000 1.201 281 Y HN 0.657 nan 8.280 nan 0.000 0.458 282 S N 0.348 116.249 115.700 0.336 0.000 2.564 282 S HA 0.345 4.813 4.470 -0.003 0.000 0.274 282 S C -1.585 173.134 174.600 0.198 0.000 1.124 282 S CA -1.009 57.281 58.200 0.150 0.000 0.869 282 S CB 1.407 64.636 63.200 0.049 0.000 1.105 282 S HN 0.700 nan 8.310 nan 0.000 0.472 283 H N 1.402 120.491 119.070 0.031 0.000 2.767 283 H HA 0.417 4.971 4.556 -0.004 0.000 0.316 283 H C 1.075 176.438 175.328 0.058 0.000 1.059 283 H CA -0.419 55.654 56.048 0.043 0.000 1.461 283 H CB 0.622 30.394 29.762 0.017 0.000 1.475 283 H HN 0.449 nan 8.280 nan 0.000 0.531 284 V N 3.387 123.208 119.914 -0.155 0.000 2.490 284 V HA -0.108 4.010 4.120 -0.003 0.000 0.250 284 V C 0.824 176.720 176.094 -0.330 0.000 1.061 284 V CA 1.665 63.869 62.300 -0.161 0.000 1.064 284 V CB -1.147 30.643 31.823 -0.054 0.000 0.670 284 V HN 0.855 nan 8.190 nan 0.000 0.461 290 D N 3.240 123.671 120.400 0.053 0.000 2.224 290 D HA -0.129 4.509 4.640 -0.003 0.000 0.205 290 D C 1.425 177.747 176.300 0.036 0.000 0.965 290 D CA 1.190 55.257 54.000 0.112 0.000 0.852 290 D CB 0.223 41.133 40.800 0.184 0.000 0.947 290 D HN 0.541 nan 8.370 nan 0.000 0.494 291 A N 1.646 124.381 122.820 -0.141 0.000 1.883 291 A HA -0.232 4.086 4.320 -0.003 0.000 0.217 291 A C 2.013 179.767 177.584 0.283 0.000 1.186 291 A CA 1.400 53.170 52.037 -0.445 0.000 0.624 291 A CB -1.151 17.652 19.000 -0.328 0.000 0.822 291 A HN 0.343 nan 8.150 nan 0.000 0.444 292 H N -1.021 118.156 119.070 0.179 0.000 2.321 292 H HA -0.063 4.491 4.556 -0.003 0.000 0.300 292 H C 2.543 178.029 175.328 0.263 0.000 1.087 292 H CA 0.809 57.054 56.048 0.328 0.000 1.319 292 H CB 0.013 29.840 29.762 0.109 0.000 1.379 292 H HN 0.573 nan 8.280 nan 0.000 0.501 293 A N 0.772 123.757 122.820 0.275 0.000 1.969 293 A HA -0.192 4.126 4.320 -0.003 0.000 0.218 293 A C 2.111 179.771 177.584 0.127 0.000 1.169 293 A CA 1.260 53.389 52.037 0.154 0.000 0.635 293 A CB -0.938 18.143 19.000 0.136 0.000 0.810 293 A HN 0.650 nan 8.150 nan 0.000 0.445 294 W N -0.143 121.149 121.300 -0.013 0.000 2.381 294 W HA -0.170 4.488 4.660 -0.003 0.000 0.301 294 W C 1.922 178.374 176.519 -0.112 0.000 1.205 294 W CA 2.161 59.490 57.345 -0.026 0.000 1.285 294 W CB -0.224 29.221 29.460 -0.026 0.000 1.133 294 W HN 0.340 nan 8.180 nan 0.000 0.521 295 M N 0.649 120.134 119.600 -0.192 0.000 2.099 295 M HA -0.115 4.363 4.480 -0.003 0.000 0.262 295 M C 1.998 177.942 176.300 -0.593 0.000 1.067 295 M CA 1.854 56.780 55.300 -0.622 0.000 1.124 295 M CB -1.123 31.108 32.600 -0.616 0.000 1.353 295 M HN 0.129 nan 8.290 nan 0.000 0.410 296 I N -0.409 119.930 120.570 -0.386 0.000 2.145 296 I HA -0.295 3.873 4.170 -0.003 0.000 0.244 296 I C 2.289 178.180 176.117 -0.376 0.000 1.075 296 I CA 1.619 62.675 61.300 -0.406 0.000 1.332 296 I CB -1.326 36.428 38.000 -0.410 0.000 1.033 296 I HN 0.500 nan 8.210 nan 0.000 0.410 297 G N -0.359 108.248 108.800 -0.322 0.000 2.470 297 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.220 297 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.220 297 G C 1.606 176.296 174.900 -0.350 0.000 1.121 297 G CA 0.297 45.234 45.100 -0.271 0.000 0.766 297 G HN 0.304 nan 8.290 nan 0.000 0.553 298 Q N -0.303 119.167 119.800 -0.550 0.000 2.062 298 Q HA 0.074 4.412 4.340 -0.003 0.000 0.196 298 Q C 2.733 178.482 176.000 -0.418 0.000 0.967 298 Q CA 0.588 56.049 55.803 -0.570 0.000 0.832 298 Q CB -0.470 27.730 28.738 -0.897 0.000 0.899 298 Q HN 0.403 nan 8.270 nan 0.000 0.442 299 L N 1.336 122.294 121.223 -0.442 0.000 2.017 299 L HA -0.165 4.173 4.340 -0.003 0.000 0.208 299 L C 2.288 179.066 176.870 -0.154 0.000 1.073 299 L CA 1.567 56.194 54.840 -0.354 0.000 0.745 299 L CB -0.854 40.913 42.059 -0.487 0.000 0.894 299 L HN 0.135 nan 8.230 nan 0.000 0.432 300 K N -0.505 119.812 120.400 -0.139 0.000 2.037 300 K HA -0.275 4.043 4.320 -0.003 0.000 0.229 300 K C 1.461 178.034 176.600 -0.046 0.000 1.040 300 K CA 1.927 58.176 56.287 -0.064 0.000 0.981 300 K CB -0.887 31.553 32.500 -0.100 0.000 0.749 300 K HN 0.494 nan 8.250 nan 0.000 0.451 301 G N 0.334 109.081 108.800 -0.089 0.000 3.518 301 G HA2 0.225 4.183 3.960 -0.003 0.000 0.273 301 G HA3 0.225 4.183 3.960 -0.003 0.000 0.273 301 G C -0.348 174.513 174.900 -0.064 0.000 1.199 301 G CA -0.356 44.707 45.100 -0.062 0.000 0.899 301 G HN 0.001 nan 8.290 nan 0.000 0.533 302 L N -0.062 121.123 121.223 -0.064 0.000 2.344 302 L HA 0.637 4.975 4.340 -0.003 0.000 0.272 302 L C -0.618 176.239 176.870 -0.022 0.000 1.035 302 L CA -0.522 54.276 54.840 -0.070 0.000 0.807 302 L CB 1.918 43.907 42.059 -0.118 0.000 1.237 302 L HN 0.009 nan 8.230 nan 0.000 0.442 303 D N 0.000 120.378 120.400 -0.036 0.000 6.856 303 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 303 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 303 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 303 D HN 0.000 nan 8.370 nan 0.000 0.683