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 1y10_1_D DATA FIRST_RESID 14 DATA SEQUENCE DDLLGDLGGT ARAERAKLVE WLLEQGITPD EIRATNPPLL LATRHLVGDD DATA SEQUENCE GTYVSAREIS ENYGVDLELL QRVQRAVGLA RVDDPDAVVH MRADGEAAAR DATA SEQUENCE AQRFVELGLN PDQVVLVVRV LAEGLSHAAE AMRYTALEAI MRPGATELDI DATA SEQUENCE AKGSQALVSQ IVPLLGPMIQ DMLFMQLRHM METEAVNAGE RAAGKPLPGA DATA SEQUENCE RQVTVAFADL VGFXXXXEVV SAEELGHLAG RLAGLARDLT APPVWFIKTI DATA SEQUENCE GDAVMLVCPD PAPLLDTVLK LVEVVDTDNN FPRLRAGVAS GMAVSRAGDW DATA SEQUENCE FGSPVNVASR VTGVARPGAV LVADSVREAL GDAXXXDGFQ WSFAGPRRLR DATA SEQUENCE GIRGDVRLFR VRR 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.307 176.300 0.012 0.000 2.045 14 D CA 0.000 54.007 54.000 0.012 0.000 0.868 14 D CB 0.000 40.808 40.800 0.014 0.000 0.688 15 D N 0.720 121.127 120.400 0.012 0.000 2.889 15 D HA 0.272 4.912 4.640 0.000 0.000 0.243 15 D C 0.603 176.911 176.300 0.014 0.000 1.270 15 D CA 0.048 54.055 54.000 0.012 0.000 0.838 15 D CB 0.188 40.994 40.800 0.010 0.000 1.040 15 D HN 0.374 nan 8.370 nan 0.000 0.480 16 L N -0.313 120.920 121.223 0.017 0.000 2.585 16 L HA 0.168 4.508 4.340 0.000 0.000 0.226 16 L C 1.384 178.267 176.870 0.021 0.000 1.113 16 L CA 0.299 55.151 54.840 0.020 0.000 0.876 16 L CB 0.215 42.287 42.059 0.023 0.000 1.072 16 L HN 0.247 nan 8.230 nan 0.000 0.468 17 L N -1.470 119.764 121.223 0.018 0.000 2.575 17 L HA 0.371 4.711 4.340 0.000 0.000 0.228 17 L C 1.775 178.653 176.870 0.013 0.000 1.075 17 L CA 0.494 55.344 54.840 0.017 0.000 0.867 17 L CB -0.410 41.659 42.059 0.016 0.000 1.097 17 L HN 0.309 nan 8.230 nan 0.000 0.485 18 G N 1.596 110.404 108.800 0.012 0.000 2.677 18 G HA2 -0.482 3.479 3.960 0.000 0.000 0.321 18 G HA3 -0.482 3.479 3.960 0.000 0.000 0.321 18 G C 0.582 175.487 174.900 0.009 0.000 1.181 18 G CA 1.005 46.111 45.100 0.010 0.000 0.965 18 G HN 0.369 nan 8.290 nan 0.000 0.548 19 D N 0.375 120.780 120.400 0.008 0.000 2.407 19 D HA 0.308 4.948 4.640 0.000 0.000 0.208 19 D C 1.544 177.847 176.300 0.006 0.000 1.083 19 D CA -0.174 53.829 54.000 0.006 0.000 0.844 19 D CB -0.025 40.779 40.800 0.006 0.000 0.967 19 D HN 0.492 nan 8.370 nan 0.000 0.506 20 L N 0.049 121.276 121.223 0.006 0.000 2.483 20 L HA 0.402 4.742 4.340 0.000 0.000 0.277 20 L C 1.177 178.050 176.870 0.005 0.000 1.248 20 L CA 0.352 55.196 54.840 0.005 0.000 0.825 20 L CB 0.528 42.591 42.059 0.006 0.000 1.096 20 L HN 0.034 nan 8.230 nan 0.000 0.512 21 G N -0.809 107.993 108.800 0.003 0.000 2.682 21 G HA2 0.556 4.516 3.960 0.000 0.000 0.290 21 G HA3 0.556 4.516 3.960 0.000 0.000 0.290 21 G C -0.283 174.617 174.900 0.001 0.000 1.425 21 G CA -0.089 45.012 45.100 0.002 0.000 0.807 21 G HN 0.982 nan 8.290 nan 0.000 0.482 22 G N -0.454 108.346 108.800 0.001 0.000 2.594 22 G HA2 -0.108 3.852 3.960 0.000 0.000 0.297 22 G HA3 -0.108 3.852 3.960 0.000 0.000 0.297 22 G C 1.619 176.518 174.900 -0.001 0.000 1.273 22 G CA 1.764 46.863 45.100 -0.001 0.000 0.974 22 G HN 2.127 nan 8.290 nan 0.000 0.552 23 T N -1.406 113.146 114.554 -0.003 0.000 2.915 23 T HA 0.240 4.591 4.350 0.000 0.000 0.269 23 T C 2.606 177.303 174.700 -0.005 0.000 1.071 23 T CA 2.554 64.651 62.100 -0.005 0.000 1.132 23 T CB -0.465 68.399 68.868 -0.008 0.000 0.878 23 T HN 1.863 nan 8.240 nan 0.000 0.479 24 A N 1.866 124.683 122.820 -0.004 0.000 1.930 24 A HA 0.016 4.337 4.320 0.000 0.000 0.217 24 A C 2.507 180.091 177.584 0.001 0.000 1.175 24 A CA 1.483 53.518 52.037 -0.003 0.000 0.627 24 A CB -0.742 18.256 19.000 -0.002 0.000 0.815 24 A HN 0.508 nan 8.150 nan 0.000 0.443 25 R N -0.517 119.984 120.500 0.003 0.000 2.092 25 R HA -0.068 4.272 4.340 0.000 0.000 0.231 25 R C 2.217 178.521 176.300 0.007 0.000 1.119 25 R CA 1.305 57.409 56.100 0.006 0.000 0.970 25 R CB -0.299 30.005 30.300 0.006 0.000 0.864 25 R HN 0.457 nan 8.270 nan 0.000 0.440 26 A N 0.614 123.437 122.820 0.004 0.000 1.930 26 A HA -0.095 4.226 4.320 0.000 0.000 0.215 26 A C 1.821 179.407 177.584 0.003 0.000 1.176 26 A CA 1.053 53.093 52.037 0.004 0.000 0.632 26 A CB -0.256 18.745 19.000 0.001 0.000 0.819 26 A HN 0.412 nan 8.150 nan 0.000 0.445 27 E N -0.762 119.437 120.200 -0.002 0.000 2.110 27 E HA -0.222 4.128 4.350 0.000 0.000 0.193 27 E C 2.274 178.875 176.600 0.002 0.000 0.988 27 E CA 1.223 57.619 56.400 -0.007 0.000 0.804 27 E CB -0.074 29.617 29.700 -0.014 0.000 0.745 27 E HN 0.432 nan 8.360 nan 0.000 0.458 28 R N 0.937 121.442 120.500 0.009 0.000 2.073 28 R HA -0.025 4.315 4.340 0.000 0.000 0.229 28 R C 2.007 178.327 176.300 0.033 0.000 1.120 28 R CA 1.474 57.586 56.100 0.021 0.000 0.967 28 R CB -0.647 29.665 30.300 0.019 0.000 0.862 28 R HN 0.122 nan 8.270 nan 0.000 0.436 29 A N 1.252 124.088 122.820 0.027 0.000 1.917 29 A HA -0.195 4.125 4.320 0.000 0.000 0.219 29 A C 1.869 179.481 177.584 0.047 0.000 1.182 29 A CA 1.802 53.859 52.037 0.033 0.000 0.633 29 A CB -0.463 18.552 19.000 0.024 0.000 0.819 29 A HN 0.277 nan 8.150 nan 0.000 0.448 30 K N -0.874 119.549 120.400 0.039 0.000 2.097 30 K HA -0.091 4.229 4.320 0.000 0.000 0.205 30 K C 1.937 178.591 176.600 0.091 0.000 1.050 30 K CA 1.258 57.575 56.287 0.049 0.000 0.938 30 K CB -0.558 31.951 32.500 0.015 0.000 0.718 30 K HN 0.470 nan 8.250 nan 0.000 0.442 31 L N 1.238 122.508 121.223 0.079 0.000 2.027 31 L HA -0.125 4.215 4.340 0.000 0.000 0.206 31 L C 2.144 179.139 176.870 0.209 0.000 1.074 31 L CA 1.363 56.285 54.840 0.137 0.000 0.745 31 L CB -0.470 41.639 42.059 0.082 0.000 0.898 31 L HN -0.173 nan 8.230 nan 0.000 0.433 32 V N 0.196 120.186 119.914 0.127 0.000 2.332 32 V HA -0.325 3.796 4.120 0.000 0.000 0.248 32 V C 2.629 178.785 176.094 0.103 0.000 1.055 32 V CA 2.076 64.437 62.300 0.102 0.000 1.038 32 V CB -0.760 31.100 31.823 0.063 0.000 0.651 32 V HN 0.655 nan 8.190 nan 0.000 0.450 33 E N -0.949 119.317 120.200 0.111 0.000 2.058 33 E HA -0.327 4.023 4.350 0.000 0.000 0.194 33 E C 2.070 178.754 176.600 0.140 0.000 0.997 33 E CA 2.155 58.617 56.400 0.103 0.000 0.801 33 E CB -0.308 29.451 29.700 0.099 0.000 0.746 33 E HN 0.702 nan 8.360 nan 0.000 0.450 34 W N 1.239 122.542 121.300 0.005 0.000 2.363 34 W HA -0.154 4.506 4.660 0.000 0.000 0.296 34 W C 1.839 178.364 176.519 0.009 0.000 1.212 34 W CA 1.513 58.862 57.345 0.006 0.000 1.260 34 W CB -0.241 29.221 29.460 0.003 0.000 1.131 34 W HN 0.087 nan 8.180 nan 0.000 0.530 35 L N -0.124 121.117 121.223 0.030 0.000 2.056 35 L HA -0.203 4.137 4.340 0.000 0.000 0.207 35 L C 2.493 179.270 176.870 -0.155 0.000 1.078 35 L CA 1.103 55.851 54.840 -0.154 0.000 0.749 35 L CB -1.010 41.055 42.059 0.011 0.000 0.901 35 L HN 0.013 nan 8.230 nan 0.000 0.433 36 L N -0.551 120.633 121.223 -0.065 0.000 2.093 36 L HA -0.168 4.172 4.340 0.000 0.000 0.208 36 L C 2.468 179.289 176.870 -0.081 0.000 1.085 36 L CA 1.151 55.959 54.840 -0.054 0.000 0.755 36 L CB -0.449 41.601 42.059 -0.014 0.000 0.904 36 L HN 0.256 nan 8.230 nan 0.000 0.435 37 E N 0.058 120.203 120.200 -0.093 0.000 2.204 37 E HA -0.257 4.093 4.350 0.000 0.000 0.195 37 E C 1.930 178.439 176.600 -0.151 0.000 0.990 37 E CA 1.144 57.488 56.400 -0.094 0.000 0.821 37 E CB 0.032 29.695 29.700 -0.061 0.000 0.750 37 E HN 0.616 nan 8.360 nan 0.000 0.477 38 Q N -0.890 118.758 119.800 -0.253 0.000 2.360 38 Q HA 0.108 4.448 4.340 0.000 0.000 0.202 38 Q C 1.006 176.905 176.000 -0.168 0.000 0.915 38 Q CA 0.705 56.354 55.803 -0.257 0.000 0.943 38 Q CB 0.931 29.402 28.738 -0.445 0.000 1.064 38 Q HN 0.172 nan 8.270 nan 0.000 0.511 39 G N 1.179 109.902 108.800 -0.129 0.000 2.184 39 G HA2 -0.178 3.782 3.960 0.000 0.000 0.206 39 G HA3 -0.178 3.782 3.960 0.000 0.000 0.206 39 G C -0.006 174.855 174.900 -0.065 0.000 0.995 39 G CA -0.201 44.849 45.100 -0.084 0.000 0.651 39 G HN 0.314 nan 8.290 nan 0.000 0.511 40 I N 2.899 123.425 120.570 -0.074 0.000 2.556 40 I HA 0.330 4.501 4.170 0.000 0.000 0.284 40 I C 1.467 177.571 176.117 -0.023 0.000 1.114 40 I CA 0.408 61.688 61.300 -0.034 0.000 1.418 40 I CB 1.044 39.024 38.000 -0.034 0.000 1.394 40 I HN 0.308 nan 8.210 nan 0.000 0.552 41 T N 3.057 117.607 114.554 -0.006 0.000 2.913 41 T HA 0.265 4.616 4.350 0.000 0.000 0.287 41 T C -1.871 172.833 174.700 0.006 0.000 1.008 41 T CA -1.781 60.318 62.100 -0.002 0.000 1.067 41 T CB 1.402 70.271 68.868 0.002 0.000 0.996 41 T HN 0.308 nan 8.240 nan 0.000 0.513 42 P HA -0.097 nan 4.420 nan 0.000 0.216 42 P C 1.064 178.374 177.300 0.016 0.000 1.153 42 P CA 1.028 64.135 63.100 0.012 0.000 0.858 42 P CB -0.002 31.704 31.700 0.010 0.000 0.789 43 D N -0.463 119.947 120.400 0.016 0.000 2.104 43 D HA -0.176 4.465 4.640 0.000 0.000 0.194 43 D C 1.917 178.233 176.300 0.028 0.000 0.994 43 D CA 1.190 55.203 54.000 0.021 0.000 0.830 43 D CB -0.534 40.278 40.800 0.020 0.000 0.959 43 D HN 0.331 nan 8.370 nan 0.000 0.452 44 E N 0.020 120.237 120.200 0.028 0.000 2.051 44 E HA -0.120 4.231 4.350 0.000 0.000 0.192 44 E C 2.383 179.003 176.600 0.034 0.000 0.991 44 E CA 0.531 56.952 56.400 0.036 0.000 0.799 44 E CB -0.069 29.655 29.700 0.040 0.000 0.748 44 E HN 0.318 nan 8.360 nan 0.000 0.449 45 I N 0.634 121.221 120.570 0.028 0.000 2.208 45 I HA -0.287 3.884 4.170 0.000 0.000 0.245 45 I C 2.615 178.749 176.117 0.029 0.000 1.097 45 I CA 1.094 62.411 61.300 0.029 0.000 1.363 45 I CB -0.261 37.755 38.000 0.028 0.000 1.051 45 I HN 0.031 nan 8.210 nan 0.000 0.413 46 R N 0.644 121.160 120.500 0.027 0.000 2.096 46 R HA -0.098 4.242 4.340 0.000 0.000 0.235 46 R C 2.279 178.597 176.300 0.030 0.000 1.127 46 R CA 1.444 57.560 56.100 0.026 0.000 0.968 46 R CB -0.237 30.076 30.300 0.022 0.000 0.861 46 R HN 0.366 nan 8.270 nan 0.000 0.440 47 A N -0.458 122.384 122.820 0.037 0.000 2.167 47 A HA -0.030 4.290 4.320 0.000 0.000 0.214 47 A C 0.930 178.545 177.584 0.051 0.000 1.151 47 A CA 0.984 53.049 52.037 0.047 0.000 0.735 47 A CB 0.201 19.237 19.000 0.060 0.000 0.802 47 A HN 0.231 nan 8.150 nan 0.000 0.467 48 T N -0.378 114.201 114.554 0.042 0.000 2.934 48 T HA 0.395 4.745 4.350 0.000 0.000 0.328 48 T C -1.117 173.601 174.700 0.031 0.000 1.068 48 T CA -0.642 61.482 62.100 0.040 0.000 1.018 48 T CB -0.239 68.651 68.868 0.036 0.000 1.009 48 T HN 0.356 nan 8.240 nan 0.000 0.471 49 N N 5.518 124.235 118.700 0.029 0.000 2.443 49 N HA 0.568 5.308 4.740 0.000 0.000 0.269 49 N C -2.096 173.427 175.510 0.021 0.000 0.985 49 N CA -1.434 51.630 53.050 0.024 0.000 0.921 49 N CB 1.182 39.682 38.487 0.021 0.000 1.195 49 N HN 0.501 nan 8.380 nan 0.000 0.492 50 P HA 0.328 nan 4.420 nan 0.000 0.278 50 P C -2.573 174.741 177.300 0.025 0.000 1.258 50 P CA -1.340 61.773 63.100 0.021 0.000 0.811 50 P CB 1.041 32.751 31.700 0.017 0.000 1.063 51 P HA 0.058 nan 4.420 nan 0.000 0.253 51 P C 1.127 178.457 177.300 0.051 0.000 1.459 51 P CA -0.225 62.898 63.100 0.038 0.000 0.908 51 P CB 0.090 31.819 31.700 0.049 0.000 1.470 52 L N 0.208 121.454 121.223 0.038 0.000 2.043 52 L HA -0.112 4.228 4.340 0.000 0.000 0.212 52 L C 1.587 178.483 176.870 0.043 0.000 1.075 52 L CA 2.087 56.949 54.840 0.035 0.000 0.752 52 L CB -0.826 41.240 42.059 0.011 0.000 0.891 52 L HN -0.025 nan 8.230 nan 0.000 0.432 53 L N -1.275 119.962 121.223 0.025 0.000 3.014 53 L HA 0.114 4.454 4.340 0.000 0.000 0.263 53 L C 1.479 178.332 176.870 -0.029 0.000 1.207 53 L CA -0.434 54.413 54.840 0.012 0.000 1.017 53 L CB 0.296 42.356 42.059 0.001 0.000 1.360 53 L HN 0.196 nan 8.230 nan 0.000 0.560 54 L N 1.290 122.495 121.223 -0.030 0.000 2.083 54 L HA -0.109 4.232 4.340 0.000 0.000 0.209 54 L C 2.480 179.171 176.870 -0.297 0.000 1.083 54 L CA 2.274 57.038 54.840 -0.126 0.000 0.752 54 L CB -0.393 41.636 42.059 -0.050 0.000 0.899 54 L HN 0.265 nan 8.230 nan 0.000 0.433 55 A N -2.498 120.263 122.820 -0.097 0.000 2.072 55 A HA -0.031 4.289 4.320 0.000 0.000 0.216 55 A C 2.125 179.701 177.584 -0.014 0.000 1.156 55 A CA 1.502 53.502 52.037 -0.061 0.000 0.701 55 A CB -0.652 18.413 19.000 0.108 0.000 0.816 55 A HN 0.480 nan 8.150 nan 0.000 0.458 56 T N -0.035 114.518 114.554 -0.002 0.000 2.976 56 T HA -0.049 4.302 4.350 0.000 0.000 0.257 56 T C 2.025 176.718 174.700 -0.010 0.000 1.051 56 T CA 1.088 63.204 62.100 0.027 0.000 1.141 56 T CB -0.176 68.715 68.868 0.038 0.000 0.881 56 T HN 0.764 nan 8.240 nan 0.000 0.461 57 R N 0.958 121.410 120.500 -0.080 0.000 2.189 57 R HA -0.041 4.299 4.340 0.000 0.000 0.223 57 R C 1.734 178.034 176.300 -0.000 0.000 1.092 57 R CA 1.420 57.489 56.100 -0.051 0.000 0.989 57 R CB -0.809 29.451 30.300 -0.066 0.000 0.876 57 R HN 0.516 nan 8.270 nan 0.000 0.457 58 H N 1.181 120.258 119.070 0.013 0.000 2.353 58 H HA -0.105 4.451 4.556 0.000 0.000 0.298 58 H C 2.048 177.380 175.328 0.006 0.000 1.103 58 H CA 1.737 57.786 56.048 0.001 0.000 1.293 58 H CB -0.067 29.694 29.762 -0.002 0.000 1.372 58 H HN 0.128 nan 8.280 nan 0.000 0.501 59 L N 0.644 121.950 121.223 0.139 0.000 2.265 59 L HA -0.096 4.244 4.340 0.000 0.000 0.215 59 L C 1.706 178.611 176.870 0.058 0.000 1.117 59 L CA 0.630 55.522 54.840 0.085 0.000 0.782 59 L CB 0.027 42.129 42.059 0.071 0.000 0.914 59 L HN 0.293 nan 8.230 nan 0.000 0.441 60 V N -4.210 115.736 119.914 0.053 0.000 3.271 60 V HA 0.588 4.708 4.120 0.000 0.000 0.327 60 V C 1.113 177.228 176.094 0.036 0.000 1.389 60 V CA 0.219 62.541 62.300 0.038 0.000 1.156 60 V CB -0.087 31.754 31.823 0.030 0.000 1.103 60 V HN 0.394 nan 8.190 nan 0.000 0.453 61 G N 0.550 109.378 108.800 0.046 0.000 2.179 61 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 61 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 61 G C -0.102 174.817 174.900 0.033 0.000 0.990 61 G CA 0.131 45.253 45.100 0.037 0.000 0.646 61 G HN 0.649 nan 8.290 nan 0.000 0.517 62 D N 1.648 122.074 120.400 0.044 0.000 2.468 62 D HA 0.410 5.050 4.640 0.000 0.000 0.218 62 D C 1.191 177.536 176.300 0.075 0.000 1.155 62 D CA -0.090 53.925 54.000 0.024 0.000 0.924 62 D CB 0.416 41.222 40.800 0.010 0.000 1.029 62 D HN 0.290 nan 8.370 nan 0.000 0.515 63 D N 2.282 122.705 120.400 0.038 0.000 2.340 63 D HA 0.098 4.738 4.640 0.000 0.000 0.220 63 D C 1.366 177.667 176.300 0.001 0.000 1.039 63 D CA 0.281 54.322 54.000 0.068 0.000 0.866 63 D CB -0.215 40.578 40.800 -0.011 0.000 0.913 63 D HN 0.496 nan 8.370 nan 0.000 0.523 64 G N 0.309 109.052 108.800 -0.095 0.000 2.136 64 G HA2 -0.238 3.722 3.960 0.000 0.000 0.242 64 G HA3 -0.238 3.722 3.960 0.000 0.000 0.242 64 G C 0.348 174.995 174.900 -0.421 0.000 0.989 64 G CA 0.623 45.611 45.100 -0.186 0.000 0.682 64 G HN 0.828 nan 8.290 nan 0.000 0.522 65 T N -2.127 112.119 114.554 -0.513 0.000 2.942 65 T HA 0.803 5.154 4.350 0.000 0.000 0.289 65 T C -0.530 173.729 174.700 -0.734 0.000 1.044 65 T CA -0.913 60.886 62.100 -0.501 0.000 1.023 65 T CB 2.427 71.195 68.868 -0.166 0.000 1.123 65 T HN 0.564 nan 8.240 nan 0.000 0.512 66 Y N -0.561 119.760 120.300 0.036 0.000 2.553 66 Y HA 0.664 5.215 4.550 0.000 0.000 0.347 66 Y C -0.293 175.628 175.900 0.035 0.000 1.019 66 Y CA -1.295 56.828 58.100 0.038 0.000 1.032 66 Y CB 2.380 40.855 38.460 0.025 0.000 1.284 66 Y HN 0.760 nan 8.280 nan 0.000 0.466 67 V N -1.347 118.688 119.914 0.202 0.000 2.925 67 V HA 0.785 4.905 4.120 0.000 0.000 0.311 67 V C -0.280 175.876 176.094 0.103 0.000 1.104 67 V CA -1.181 61.193 62.300 0.123 0.000 0.954 67 V CB 1.366 33.244 31.823 0.092 0.000 1.022 67 V HN 0.851 nan 8.190 nan 0.000 0.427 68 S N 2.392 118.133 115.700 0.068 0.000 2.592 68 S HA 0.641 5.111 4.470 0.000 0.000 0.271 68 S C 1.360 175.998 174.600 0.063 0.000 1.326 68 S CA 0.059 58.287 58.200 0.046 0.000 1.024 68 S CB 1.472 64.689 63.200 0.029 0.000 0.921 68 S HN 1.970 nan 8.310 nan 0.000 0.527 69 A N 1.792 124.652 122.820 0.066 0.000 1.972 69 A HA -0.091 4.229 4.320 0.000 0.000 0.219 69 A C 2.229 179.839 177.584 0.043 0.000 1.169 69 A CA 1.702 53.779 52.037 0.066 0.000 0.635 69 A CB -0.843 18.200 19.000 0.071 0.000 0.810 69 A HN 0.941 nan 8.150 nan 0.000 0.446 70 R N 0.094 120.617 120.500 0.038 0.000 2.073 70 R HA -0.129 4.211 4.340 0.000 0.000 0.234 70 R C 2.075 178.401 176.300 0.044 0.000 1.134 70 R CA 2.028 58.150 56.100 0.036 0.000 0.952 70 R CB -0.463 29.854 30.300 0.029 0.000 0.850 70 R HN 0.634 nan 8.270 nan 0.000 0.433 71 E N -0.283 119.946 120.200 0.047 0.000 2.110 71 E HA -0.152 4.199 4.350 0.000 0.000 0.193 71 E C 1.730 178.375 176.600 0.075 0.000 0.988 71 E CA 1.084 57.518 56.400 0.058 0.000 0.804 71 E CB 0.062 29.797 29.700 0.057 0.000 0.745 71 E HN 0.314 nan 8.360 nan 0.000 0.458 72 I N 0.498 121.101 120.570 0.055 0.000 2.202 72 I HA -0.225 3.945 4.170 0.000 0.000 0.242 72 I C 2.619 178.776 176.117 0.068 0.000 1.091 72 I CA 0.959 62.276 61.300 0.028 0.000 1.368 72 I CB -1.428 36.531 38.000 -0.069 0.000 1.058 72 I HN 0.081 nan 8.210 nan 0.000 0.410 73 S N 0.441 116.173 115.700 0.052 0.000 2.370 73 S HA -0.245 4.225 4.470 0.000 0.000 0.226 73 S C 1.942 176.596 174.600 0.091 0.000 1.033 73 S CA 1.833 60.073 58.200 0.066 0.000 1.011 73 S CB -0.083 63.144 63.200 0.046 0.000 0.852 73 S HN 0.443 nan 8.310 nan 0.000 0.457 74 E N 0.661 120.910 120.200 0.082 0.000 2.017 74 E HA -0.110 4.241 4.350 0.000 0.000 0.193 74 E C 2.127 178.785 176.600 0.097 0.000 0.997 74 E CA 1.511 57.956 56.400 0.075 0.000 0.804 74 E CB -0.133 29.602 29.700 0.059 0.000 0.757 74 E HN 0.482 nan 8.360 nan 0.000 0.448 75 N N -0.377 118.405 118.700 0.138 0.000 2.166 75 N HA -0.159 4.581 4.740 0.000 0.000 0.186 75 N C 1.270 176.868 175.510 0.147 0.000 1.019 75 N CA 1.142 54.281 53.050 0.147 0.000 0.856 75 N CB -0.182 38.438 38.487 0.221 0.000 0.993 75 N HN 0.244 nan 8.380 nan 0.000 0.426 76 Y N -0.256 120.052 120.300 0.013 0.000 2.462 76 Y HA 0.295 4.845 4.550 0.000 0.000 0.261 76 Y C 1.405 177.311 175.900 0.009 0.000 1.146 76 Y CA -0.017 58.090 58.100 0.011 0.000 1.283 76 Y CB -0.027 38.441 38.460 0.014 0.000 1.090 76 Y HN 0.068 nan 8.280 nan 0.000 0.526 77 G N 1.376 110.263 108.800 0.145 0.000 2.314 77 G HA2 -0.182 3.778 3.960 0.000 0.000 0.292 77 G HA3 -0.182 3.778 3.960 0.000 0.000 0.292 77 G C -0.152 174.804 174.900 0.093 0.000 1.059 77 G CA 0.379 45.530 45.100 0.085 0.000 0.982 77 G HN 0.443 nan 8.290 nan 0.000 0.505 78 V N -2.788 117.191 119.914 0.107 0.000 2.715 78 V HA 0.790 4.910 4.120 0.000 0.000 0.310 78 V C 0.306 176.433 176.094 0.055 0.000 1.054 78 V CA -1.241 61.108 62.300 0.082 0.000 0.928 78 V CB 2.101 33.975 31.823 0.085 0.000 1.007 78 V HN 0.271 nan 8.190 nan 0.000 0.437 79 D N 1.918 122.345 120.400 0.044 0.000 2.434 79 D HA 0.067 4.707 4.640 0.000 0.000 0.252 79 D C 0.747 177.065 176.300 0.030 0.000 1.185 79 D CA -0.006 54.015 54.000 0.035 0.000 0.886 79 D CB 1.272 42.092 40.800 0.032 0.000 1.148 79 D HN 0.677 nan 8.370 nan 0.000 0.483 80 L N 4.249 125.489 121.223 0.028 0.000 2.046 80 L HA -0.090 4.250 4.340 0.000 0.000 0.208 80 L C 1.883 178.768 176.870 0.024 0.000 1.077 80 L CA 1.789 56.644 54.840 0.026 0.000 0.747 80 L CB -0.570 41.505 42.059 0.027 0.000 0.896 80 L HN 0.691 nan 8.230 nan 0.000 0.432 81 E N -0.879 119.334 120.200 0.023 0.000 2.072 81 E HA -0.234 4.116 4.350 0.000 0.000 0.191 81 E C 2.200 178.812 176.600 0.019 0.000 0.985 81 E CA 1.243 57.655 56.400 0.021 0.000 0.801 81 E CB -0.175 29.536 29.700 0.019 0.000 0.750 81 E HN 0.416 nan 8.360 nan 0.000 0.452 82 L N 1.259 122.494 121.223 0.021 0.000 2.046 82 L HA -0.160 4.180 4.340 0.000 0.000 0.208 82 L C 2.381 179.260 176.870 0.015 0.000 1.077 82 L CA 1.337 56.189 54.840 0.020 0.000 0.747 82 L CB -0.731 41.344 42.059 0.028 0.000 0.896 82 L HN 0.269 nan 8.230 nan 0.000 0.432 83 L N -0.562 120.668 121.223 0.013 0.000 2.042 83 L HA -0.263 4.077 4.340 0.000 0.000 0.210 83 L C 2.444 179.312 176.870 -0.002 0.000 1.076 83 L CA 1.889 56.729 54.840 -0.001 0.000 0.749 83 L CB -0.655 41.401 42.059 -0.005 0.000 0.893 83 L HN 0.452 nan 8.230 nan 0.000 0.432 84 Q N -0.989 118.820 119.800 0.015 0.000 2.079 84 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 84 Q C 2.358 178.367 176.000 0.015 0.000 0.974 84 Q CA 1.468 57.287 55.803 0.027 0.000 0.840 84 Q CB -0.131 28.630 28.738 0.038 0.000 0.898 84 Q HN 0.510 nan 8.270 nan 0.000 0.430 85 R N -0.130 120.376 120.500 0.010 0.000 2.081 85 R HA -0.125 4.215 4.340 0.000 0.000 0.235 85 R C 2.297 178.593 176.300 -0.007 0.000 1.131 85 R CA 1.337 57.439 56.100 0.004 0.000 0.960 85 R CB -0.301 30.002 30.300 0.006 0.000 0.856 85 R HN 0.100 nan 8.270 nan 0.000 0.436 86 V N 1.852 121.759 119.914 -0.011 0.000 2.307 86 V HA -0.269 3.851 4.120 0.000 0.000 0.245 86 V C 2.534 178.603 176.094 -0.041 0.000 1.045 86 V CA 2.092 64.379 62.300 -0.023 0.000 1.024 86 V CB -0.609 31.205 31.823 -0.015 0.000 0.651 86 V HN 0.489 nan 8.190 nan 0.000 0.449 87 Q N 0.131 119.897 119.800 -0.056 0.000 2.297 87 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 87 Q C 2.150 178.105 176.000 -0.074 0.000 0.962 87 Q CA 1.332 57.074 55.803 -0.102 0.000 0.879 87 Q CB -0.318 28.310 28.738 -0.183 0.000 0.947 87 Q HN 0.527 nan 8.270 nan 0.000 0.462 88 R N 0.557 121.040 120.500 -0.027 0.000 2.090 88 R HA 0.058 4.398 4.340 0.000 0.000 0.228 88 R C 2.347 178.638 176.300 -0.014 0.000 1.110 88 R CA 1.152 57.248 56.100 -0.006 0.000 0.973 88 R CB -0.239 30.068 30.300 0.011 0.000 0.869 88 R HN 0.379 nan 8.270 nan 0.000 0.440 89 A N 0.907 123.714 122.820 -0.022 0.000 2.014 89 A HA -0.080 4.240 4.320 0.000 0.000 0.218 89 A C 2.175 179.739 177.584 -0.033 0.000 1.163 89 A CA 1.319 53.341 52.037 -0.025 0.000 0.652 89 A CB -0.370 18.612 19.000 -0.029 0.000 0.808 89 A HN 0.240 nan 8.150 nan 0.000 0.449 90 V N -3.526 116.363 119.914 -0.041 0.000 3.217 90 V HA 0.426 4.546 4.120 0.000 0.000 0.264 90 V C 1.365 177.438 176.094 -0.035 0.000 1.135 90 V CA 0.978 63.252 62.300 -0.044 0.000 1.142 90 V CB -0.881 30.911 31.823 -0.052 0.000 0.754 90 V HN 1.496 nan 8.190 nan 0.000 0.484 91 G N 0.100 108.884 108.800 -0.027 0.000 2.131 91 G HA2 -0.176 3.784 3.960 0.000 0.000 0.201 91 G HA3 -0.176 3.784 3.960 0.000 0.000 0.201 91 G C -0.199 174.699 174.900 -0.005 0.000 1.000 91 G CA 0.122 45.215 45.100 -0.011 0.000 0.680 91 G HN 0.548 nan 8.290 nan 0.000 0.514 92 L N 0.445 121.653 121.223 -0.024 0.000 2.456 92 L HA 0.677 5.017 4.340 0.000 0.000 0.257 92 L C 1.432 178.348 176.870 0.077 0.000 1.162 92 L CA -0.408 54.425 54.840 -0.012 0.000 0.808 92 L CB 0.836 42.785 42.059 -0.183 0.000 1.136 92 L HN 0.356 nan 8.230 nan 0.000 0.466 93 A N 1.667 124.591 122.820 0.174 0.000 2.511 93 A HA 0.187 4.508 4.320 0.000 0.000 0.242 93 A C 0.073 177.779 177.584 0.204 0.000 1.069 93 A CA -0.135 52.000 52.037 0.163 0.000 0.763 93 A CB -0.073 19.004 19.000 0.129 0.000 1.001 93 A HN 0.707 nan 8.150 nan 0.000 0.498 94 R N 1.387 121.946 120.500 0.100 0.000 2.288 94 R HA 0.346 4.687 4.340 0.000 0.000 0.330 94 R C -1.119 175.205 176.300 0.040 0.000 1.069 94 R CA -0.109 56.038 56.100 0.079 0.000 0.941 94 R CB 0.544 30.870 30.300 0.043 0.000 0.998 94 R HN 0.413 nan 8.270 nan 0.000 0.452 95 V N 4.109 124.047 119.914 0.041 0.000 2.326 95 V HA 0.062 4.182 4.120 0.000 0.000 0.281 95 V C 0.242 176.335 176.094 -0.002 0.000 1.015 95 V CA -0.492 61.788 62.300 -0.034 0.000 0.823 95 V CB 1.382 33.102 31.823 -0.171 0.000 1.009 95 V HN 0.753 nan 8.190 nan 0.000 0.436 96 D N 1.604 121.999 120.400 -0.008 0.000 2.162 96 D HA -0.044 4.596 4.640 0.000 0.000 0.203 96 D C 0.788 177.086 176.300 -0.003 0.000 0.967 96 D CA 0.910 54.910 54.000 0.001 0.000 0.840 96 D CB 0.284 41.083 40.800 -0.001 0.000 0.972 96 D HN 0.598 nan 8.370 nan 0.000 0.482 97 D N 1.296 121.688 120.400 -0.014 0.000 2.338 97 D HA 0.026 4.666 4.640 0.000 0.000 0.255 97 D C -1.493 174.800 176.300 -0.012 0.000 1.237 97 D CA -1.799 52.193 54.000 -0.014 0.000 0.883 97 D CB 1.566 42.353 40.800 -0.021 0.000 1.087 97 D HN -0.028 nan 8.370 nan 0.000 0.485 98 P HA -0.042 nan 4.420 nan 0.000 0.226 98 P C 0.220 177.525 177.300 0.008 0.000 1.153 98 P CA 0.647 63.754 63.100 0.010 0.000 0.777 98 P CB 0.562 32.273 31.700 0.017 0.000 0.794 99 D N -0.350 120.051 120.400 0.002 0.000 2.360 99 D HA 0.128 4.768 4.640 0.000 0.000 0.210 99 D C 0.842 177.138 176.300 -0.007 0.000 1.047 99 D CA 0.096 54.097 54.000 0.003 0.000 0.854 99 D CB 0.301 41.104 40.800 0.004 0.000 0.936 99 D HN 0.105 nan 8.370 nan 0.000 0.514 100 A N 1.029 123.835 122.820 -0.023 0.000 2.450 100 A HA 0.288 4.609 4.320 0.000 0.000 0.255 100 A C 0.318 177.872 177.584 -0.049 0.000 1.096 100 A CA -0.195 51.817 52.037 -0.041 0.000 0.778 100 A CB 0.668 19.631 19.000 -0.062 0.000 1.031 100 A HN -0.040 nan 8.150 nan 0.000 0.494 101 V N 4.606 124.495 119.914 -0.041 0.000 2.320 101 V HA 0.242 4.363 4.120 0.000 0.000 0.265 101 V C 0.554 176.604 176.094 -0.074 0.000 1.048 101 V CA 0.145 62.435 62.300 -0.016 0.000 0.865 101 V CB 0.298 32.135 31.823 0.023 0.000 1.043 101 V HN 0.780 nan 8.190 nan 0.000 0.474 102 V N 2.944 122.798 119.914 -0.100 0.000 3.279 102 V HA 0.191 4.311 4.120 0.000 0.000 0.213 102 V C 0.741 176.792 176.094 -0.071 0.000 1.335 102 V CA -0.003 62.180 62.300 -0.195 0.000 1.317 102 V CB -0.135 31.506 31.823 -0.303 0.000 1.209 102 V HN 0.720 nan 8.190 nan 0.000 0.525 103 H N 1.220 120.345 119.070 0.091 0.000 2.871 103 H HA 0.267 4.823 4.556 0.000 0.000 0.355 103 H C 0.328 175.809 175.328 0.256 0.000 1.092 103 H CA 0.211 56.339 56.048 0.133 0.000 1.420 103 H CB 0.183 29.986 29.762 0.069 0.000 1.400 103 H HN 0.253 nan 8.280 nan 0.000 0.604 104 M N 2.307 122.137 119.600 0.382 0.000 2.248 104 M HA -0.109 4.371 4.480 0.000 0.000 0.343 104 M C 2.018 178.374 176.300 0.094 0.000 1.243 104 M CA 0.590 55.998 55.300 0.181 0.000 1.025 104 M CB 0.676 33.335 32.600 0.098 0.000 1.759 104 M HN 0.624 nan 8.290 nan 0.000 0.452 105 R N 3.107 123.609 120.500 0.004 0.000 2.096 105 R HA -0.200 4.140 4.340 0.000 0.000 0.240 105 R C 1.866 178.168 176.300 0.003 0.000 1.139 105 R CA 2.243 58.349 56.100 0.011 0.000 0.952 105 R CB -0.275 30.013 30.300 -0.020 0.000 0.854 105 R HN 0.884 nan 8.270 nan 0.000 0.436 106 A N 0.959 123.776 122.820 -0.006 0.000 1.972 106 A HA -0.181 4.139 4.320 0.000 0.000 0.219 106 A C 1.618 179.191 177.584 -0.018 0.000 1.169 106 A CA 1.865 53.900 52.037 -0.003 0.000 0.635 106 A CB -0.446 18.555 19.000 0.002 0.000 0.810 106 A HN 0.455 nan 8.150 nan 0.000 0.446 107 D N -0.301 120.088 120.400 -0.018 0.000 2.097 107 D HA -0.064 4.576 4.640 0.000 0.000 0.197 107 D C 2.134 178.374 176.300 -0.100 0.000 0.984 107 D CA 1.509 55.475 54.000 -0.055 0.000 0.826 107 D CB -0.790 39.974 40.800 -0.061 0.000 0.973 107 D HN 0.414 nan 8.370 nan 0.000 0.460 108 G N 0.728 109.481 108.800 -0.078 0.000 2.422 108 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 108 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 108 G C 1.522 176.306 174.900 -0.193 0.000 1.146 108 G CA 0.514 45.551 45.100 -0.106 0.000 0.769 108 G HN 0.289 nan 8.290 nan 0.000 0.547 109 E N 0.383 120.474 120.200 -0.183 0.000 2.106 109 E HA 0.040 4.390 4.350 0.000 0.000 0.192 109 E C 2.892 179.360 176.600 -0.219 0.000 0.984 109 E CA 0.606 56.824 56.400 -0.304 0.000 0.806 109 E CB -0.110 29.547 29.700 -0.072 0.000 0.750 109 E HN 0.415 nan 8.360 nan 0.000 0.458 110 A N 1.392 124.153 122.820 -0.099 0.000 1.930 110 A HA -0.057 4.264 4.320 0.000 0.000 0.217 110 A C 2.351 179.905 177.584 -0.050 0.000 1.175 110 A CA 1.518 53.531 52.037 -0.042 0.000 0.627 110 A CB -0.456 18.531 19.000 -0.022 0.000 0.815 110 A HN 0.280 nan 8.150 nan 0.000 0.443 111 A N -0.240 122.524 122.820 -0.094 0.000 1.968 111 A HA 0.268 4.588 4.320 0.000 0.000 0.217 111 A C 2.416 179.957 177.584 -0.070 0.000 1.169 111 A CA 1.634 53.626 52.037 -0.075 0.000 0.638 111 A CB -0.832 18.107 19.000 -0.102 0.000 0.812 111 A HN 0.999 nan 8.150 nan 0.000 0.446 112 A N 0.168 122.886 122.820 -0.169 0.000 1.972 112 A HA -0.169 4.151 4.320 0.000 0.000 0.219 112 A C 2.140 179.717 177.584 -0.013 0.000 1.169 112 A CA 1.438 53.364 52.037 -0.185 0.000 0.635 112 A CB -0.443 18.188 19.000 -0.616 0.000 0.810 112 A HN 0.558 nan 8.150 nan 0.000 0.446 113 R N -0.545 119.971 120.500 0.026 0.000 2.280 113 R HA 0.059 4.399 4.340 0.000 0.000 0.207 113 R C 2.075 178.469 176.300 0.157 0.000 1.043 113 R CA 0.721 56.892 56.100 0.119 0.000 1.006 113 R CB -0.299 30.077 30.300 0.126 0.000 0.885 113 R HN 0.501 nan 8.270 nan 0.000 0.467 114 A N 0.874 123.803 122.820 0.181 0.000 2.119 114 A HA -0.167 4.154 4.320 0.000 0.000 0.216 114 A C 2.013 179.770 177.584 0.289 0.000 1.152 114 A CA 0.697 52.928 52.037 0.323 0.000 0.708 114 A CB -0.208 18.891 19.000 0.164 0.000 0.805 114 A HN 0.313 nan 8.150 nan 0.000 0.460 115 Q N -0.160 119.731 119.800 0.151 0.000 2.291 115 Q HA -0.114 4.227 4.340 0.000 0.000 0.206 115 Q C 2.098 178.150 176.000 0.086 0.000 0.976 115 Q CA 1.201 57.071 55.803 0.112 0.000 0.875 115 Q CB -0.167 28.619 28.738 0.079 0.000 0.927 115 Q HN 0.623 nan 8.270 nan 0.000 0.450 116 R N -0.672 119.846 120.500 0.031 0.000 2.152 116 R HA -0.122 4.219 4.340 0.000 0.000 0.232 116 R C 1.519 177.714 176.300 -0.175 0.000 1.117 116 R CA 1.249 57.285 56.100 -0.106 0.000 0.981 116 R CB -0.105 30.075 30.300 -0.201 0.000 0.870 116 R HN 0.346 nan 8.270 nan 0.000 0.451 117 F N -0.571 119.393 119.950 0.024 0.000 2.234 117 F HA -0.166 4.361 4.527 0.000 0.000 0.299 117 F C 2.264 178.073 175.800 0.016 0.000 1.087 117 F CA 0.748 58.759 58.000 0.019 0.000 1.340 117 F CB -0.361 38.649 39.000 0.017 0.000 1.031 117 F HN -0.190 nan 8.300 nan 0.000 0.500 118 V N -0.137 119.882 119.914 0.176 0.000 2.323 118 V HA -0.227 3.893 4.120 0.000 0.000 0.244 118 V C 2.077 178.207 176.094 0.060 0.000 1.041 118 V CA 1.764 64.126 62.300 0.103 0.000 1.025 118 V CB -0.689 31.185 31.823 0.085 0.000 0.656 118 V HN 0.260 nan 8.190 nan 0.000 0.451 119 E N 0.019 120.242 120.200 0.039 0.000 2.187 119 E HA -0.269 4.081 4.350 0.000 0.000 0.199 119 E C 2.082 178.686 176.600 0.007 0.000 1.004 119 E CA 1.230 57.639 56.400 0.015 0.000 0.813 119 E CB -0.217 29.482 29.700 -0.001 0.000 0.736 119 E HN 0.333 nan 8.360 nan 0.000 0.468 120 L N -1.249 119.978 121.223 0.005 0.000 2.005 120 L HA -0.070 4.270 4.340 0.000 0.000 0.207 120 L C 1.990 178.874 176.870 0.023 0.000 1.072 120 L CA 2.290 57.134 54.840 0.006 0.000 0.744 120 L CB -0.384 41.680 42.059 0.008 0.000 0.895 120 L HN 0.337 nan 8.230 nan 0.000 0.433 121 G N -3.172 105.652 108.800 0.040 0.000 3.859 121 G HA2 -0.037 3.923 3.960 0.000 0.000 0.220 121 G HA3 -0.037 3.923 3.960 0.000 0.000 0.220 121 G C 0.085 175.013 174.900 0.046 0.000 0.892 121 G CA -0.445 44.677 45.100 0.037 0.000 0.858 121 G HN 0.081 nan 8.290 nan 0.000 0.625 122 L N 3.145 124.410 121.223 0.070 0.000 2.380 122 L HA 0.317 4.657 4.340 0.000 0.000 0.273 122 L C 0.650 177.555 176.870 0.058 0.000 1.138 122 L CA -0.807 54.075 54.840 0.069 0.000 0.832 122 L CB 0.584 42.704 42.059 0.103 0.000 1.124 122 L HN 0.446 nan 8.230 nan 0.000 0.454 123 N N 3.877 122.600 118.700 0.039 0.000 2.503 123 N HA 0.123 4.863 4.740 0.000 0.000 0.267 123 N C -2.242 173.286 175.510 0.031 0.000 1.214 123 N CA -1.300 51.769 53.050 0.032 0.000 0.959 123 N CB 1.409 39.909 38.487 0.022 0.000 1.142 123 N HN 0.227 nan 8.380 nan 0.000 0.455 124 P HA -0.139 nan 4.420 nan 0.000 0.216 124 P C 0.502 177.809 177.300 0.012 0.000 1.157 124 P CA 1.579 64.694 63.100 0.025 0.000 0.880 124 P CB 0.125 31.839 31.700 0.023 0.000 0.791 125 D N -1.174 119.231 120.400 0.009 0.000 2.149 125 D HA -0.182 4.458 4.640 0.000 0.000 0.198 125 D C 2.116 178.413 176.300 -0.006 0.000 0.990 125 D CA 1.128 55.129 54.000 0.002 0.000 0.839 125 D CB -0.514 40.288 40.800 0.003 0.000 0.948 125 D HN 0.440 nan 8.370 nan 0.000 0.460 126 Q N -0.017 119.780 119.800 -0.005 0.000 2.331 126 Q HA 0.010 4.350 4.340 0.000 0.000 0.203 126 Q C 1.877 177.856 176.000 -0.035 0.000 0.944 126 Q CA 0.598 56.392 55.803 -0.015 0.000 0.892 126 Q CB -0.013 28.721 28.738 -0.008 0.000 0.983 126 Q HN 0.133 nan 8.270 nan 0.000 0.482 127 V N 1.298 121.194 119.914 -0.031 0.000 2.307 127 V HA -0.218 3.903 4.120 0.000 0.000 0.245 127 V C 2.433 178.479 176.094 -0.080 0.000 1.045 127 V CA 1.444 63.702 62.300 -0.070 0.000 1.024 127 V CB -0.332 31.483 31.823 -0.014 0.000 0.651 127 V HN 0.206 nan 8.190 nan 0.000 0.449 128 V N -0.243 119.645 119.914 -0.042 0.000 2.282 128 V HA -0.322 3.799 4.120 0.000 0.000 0.249 128 V C 2.344 178.411 176.094 -0.045 0.000 1.057 128 V CA 2.434 64.711 62.300 -0.038 0.000 1.032 128 V CB -0.545 31.266 31.823 -0.019 0.000 0.645 128 V HN 0.496 nan 8.190 nan 0.000 0.447 129 L N -0.482 120.717 121.223 -0.039 0.000 2.012 129 L HA -0.171 4.169 4.340 0.000 0.000 0.210 129 L C 2.391 179.229 176.870 -0.053 0.000 1.073 129 L CA 1.580 56.398 54.840 -0.037 0.000 0.748 129 L CB -0.198 41.844 42.059 -0.027 0.000 0.891 129 L HN 0.153 nan 8.230 nan 0.000 0.431 130 V N -1.112 118.758 119.914 -0.073 0.000 2.343 130 V HA -0.285 3.836 4.120 0.000 0.000 0.247 130 V C 2.415 178.446 176.094 -0.105 0.000 1.051 130 V CA 1.661 63.904 62.300 -0.095 0.000 1.036 130 V CB -0.298 31.443 31.823 -0.136 0.000 0.654 130 V HN 0.302 nan 8.190 nan 0.000 0.451 131 V N -0.173 119.672 119.914 -0.116 0.000 2.332 131 V HA -0.297 3.824 4.120 0.000 0.000 0.248 131 V C 2.630 178.681 176.094 -0.072 0.000 1.055 131 V CA 2.159 64.398 62.300 -0.102 0.000 1.038 131 V CB -0.757 31.011 31.823 -0.092 0.000 0.651 131 V HN 0.489 nan 8.190 nan 0.000 0.450 132 R N -0.591 119.873 120.500 -0.058 0.000 2.073 132 R HA -0.128 4.213 4.340 0.000 0.000 0.234 132 R C 2.238 178.507 176.300 -0.052 0.000 1.134 132 R CA 1.576 57.648 56.100 -0.047 0.000 0.952 132 R CB -0.604 29.676 30.300 -0.034 0.000 0.850 132 R HN 0.431 nan 8.270 nan 0.000 0.433 133 V N 1.437 121.320 119.914 -0.052 0.000 2.287 133 V HA -0.248 3.872 4.120 0.000 0.000 0.248 133 V C 2.334 178.390 176.094 -0.063 0.000 1.053 133 V CA 1.445 63.715 62.300 -0.050 0.000 1.027 133 V CB -0.491 31.308 31.823 -0.041 0.000 0.646 133 V HN 0.209 nan 8.190 nan 0.000 0.447 134 L N 0.412 121.596 121.223 -0.065 0.000 2.013 134 L HA -0.182 4.158 4.340 0.000 0.000 0.212 134 L C 2.610 179.436 176.870 -0.073 0.000 1.073 134 L CA 2.519 57.320 54.840 -0.064 0.000 0.753 134 L CB -1.649 40.370 42.059 -0.067 0.000 0.890 134 L HN 0.351 nan 8.230 nan 0.000 0.432 135 A N -0.915 121.861 122.820 -0.072 0.000 1.898 135 A HA -0.223 4.097 4.320 0.000 0.000 0.216 135 A C 2.257 179.777 177.584 -0.107 0.000 1.181 135 A CA 1.563 53.557 52.037 -0.073 0.000 0.620 135 A CB -0.502 18.464 19.000 -0.055 0.000 0.819 135 A HN 0.442 nan 8.150 nan 0.000 0.442 136 E N 0.230 120.357 120.200 -0.122 0.000 2.038 136 E HA -0.093 4.257 4.350 0.000 0.000 0.195 136 E C 1.972 178.327 176.600 -0.409 0.000 1.000 136 E CA 1.992 58.270 56.400 -0.203 0.000 0.803 136 E CB -0.941 28.682 29.700 -0.130 0.000 0.750 136 E HN 0.364 nan 8.360 nan 0.000 0.448 137 G N 0.533 109.171 108.800 -0.270 0.000 2.418 137 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 137 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 137 G C 1.653 176.433 174.900 -0.199 0.000 1.158 137 G CA 1.011 45.964 45.100 -0.244 0.000 0.771 137 G HN 0.319 nan 8.290 nan 0.000 0.545 138 L N 1.558 122.702 121.223 -0.132 0.000 2.156 138 L HA -0.061 4.280 4.340 0.000 0.000 0.208 138 L C 3.273 180.109 176.870 -0.057 0.000 1.095 138 L CA 1.216 56.017 54.840 -0.066 0.000 0.770 138 L CB -0.297 41.737 42.059 -0.041 0.000 0.914 138 L HN 0.415 nan 8.230 nan 0.000 0.439 139 S N -1.250 114.384 115.700 -0.110 0.000 2.400 139 S HA -0.243 4.227 4.470 0.000 0.000 0.232 139 S C 1.689 176.336 174.600 0.079 0.000 1.025 139 S CA 1.323 59.502 58.200 -0.035 0.000 0.993 139 S CB -0.755 62.420 63.200 -0.042 0.000 0.808 139 S HN 0.577 nan 8.310 nan 0.000 0.478 140 H N 1.265 120.343 119.070 0.013 0.000 2.403 140 H HA 0.332 4.888 4.556 0.000 0.000 0.298 140 H C 2.657 177.993 175.328 0.013 0.000 1.059 140 H CA 0.470 56.525 56.048 0.012 0.000 1.363 140 H CB -0.233 29.534 29.762 0.009 0.000 1.410 140 H HN 0.557 nan 8.280 nan 0.000 0.528 141 A N 1.677 124.568 122.820 0.118 0.000 1.883 141 A HA -0.184 4.136 4.320 0.000 0.000 0.217 141 A C 2.573 180.196 177.584 0.065 0.000 1.186 141 A CA 1.527 53.608 52.037 0.072 0.000 0.624 141 A CB -1.041 17.983 19.000 0.041 0.000 0.822 141 A HN 0.461 nan 8.150 nan 0.000 0.444 142 A N -0.397 122.457 122.820 0.057 0.000 1.892 142 A HA -0.256 4.064 4.320 0.000 0.000 0.218 142 A C 2.074 179.699 177.584 0.069 0.000 1.188 142 A CA 2.020 54.089 52.037 0.054 0.000 0.631 142 A CB -0.681 18.345 19.000 0.043 0.000 0.822 142 A HN 0.692 nan 8.150 nan 0.000 0.447 143 E N -0.256 119.993 120.200 0.083 0.000 2.085 143 E HA -0.158 4.193 4.350 0.000 0.000 0.194 143 E C 2.158 178.811 176.600 0.089 0.000 0.994 143 E CA 1.102 57.553 56.400 0.085 0.000 0.801 143 E CB -0.276 29.473 29.700 0.082 0.000 0.743 143 E HN 0.544 nan 8.360 nan 0.000 0.453 144 A N 0.817 123.680 122.820 0.072 0.000 1.940 144 A HA -0.198 4.122 4.320 0.000 0.000 0.219 144 A C 2.185 179.830 177.584 0.102 0.000 1.176 144 A CA 1.748 53.821 52.037 0.060 0.000 0.631 144 A CB -0.485 18.539 19.000 0.040 0.000 0.814 144 A HN 0.311 nan 8.150 nan 0.000 0.446 145 M N -1.590 118.062 119.600 0.086 0.000 2.175 145 M HA -0.101 4.379 4.480 0.000 0.000 0.264 145 M C 2.375 178.726 176.300 0.086 0.000 1.063 145 M CA 1.629 56.976 55.300 0.079 0.000 1.119 145 M CB -0.290 32.343 32.600 0.056 0.000 1.377 145 M HN 0.508 nan 8.290 nan 0.000 0.415 146 R N -0.082 120.472 120.500 0.091 0.000 2.080 146 R HA -0.237 4.103 4.340 0.000 0.000 0.236 146 R C 2.256 178.613 176.300 0.096 0.000 1.137 146 R CA 2.110 58.258 56.100 0.080 0.000 0.943 146 R CB -0.605 29.744 30.300 0.082 0.000 0.846 146 R HN 0.395 nan 8.270 nan 0.000 0.431 147 Y N 1.114 121.419 120.300 0.008 0.000 2.224 147 Y HA -0.198 4.353 4.550 0.000 0.000 0.289 147 Y C 2.218 178.119 175.900 0.002 0.000 1.146 147 Y CA 2.244 60.345 58.100 0.003 0.000 1.182 147 Y CB -0.197 38.264 38.460 0.002 0.000 0.983 147 Y HN 0.111 nan 8.280 nan 0.000 0.524 148 T N 0.453 115.150 114.554 0.239 0.000 2.674 148 T HA -0.207 4.143 4.350 0.000 0.000 0.265 148 T C 2.088 176.809 174.700 0.035 0.000 1.039 148 T CA 1.506 63.693 62.100 0.145 0.000 1.150 148 T CB -0.752 68.189 68.868 0.122 0.000 0.864 148 T HN 0.500 nan 8.240 nan 0.000 0.427 149 A N 1.004 123.839 122.820 0.025 0.000 1.902 149 A HA 0.012 4.333 4.320 0.000 0.000 0.217 149 A C 2.215 179.774 177.584 -0.041 0.000 1.181 149 A CA 1.178 53.213 52.037 -0.003 0.000 0.623 149 A CB -0.835 18.169 19.000 0.007 0.000 0.818 149 A HN 0.354 nan 8.150 nan 0.000 0.443 150 L N -0.066 121.115 121.223 -0.070 0.000 2.079 150 L HA -0.179 4.161 4.340 0.000 0.000 0.210 150 L C 2.540 179.319 176.870 -0.153 0.000 1.081 150 L CA 2.044 56.814 54.840 -0.116 0.000 0.752 150 L CB -0.506 41.463 42.059 -0.150 0.000 0.896 150 L HN 0.507 nan 8.230 nan 0.000 0.433 151 E N -0.165 119.918 120.200 -0.195 0.000 2.051 151 E HA -0.222 4.128 4.350 0.000 0.000 0.192 151 E C 2.154 178.698 176.600 -0.093 0.000 0.991 151 E CA 1.353 57.646 56.400 -0.177 0.000 0.799 151 E CB 0.032 29.631 29.700 -0.168 0.000 0.748 151 E HN 0.446 nan 8.360 nan 0.000 0.449 152 A N 0.469 123.252 122.820 -0.062 0.000 1.972 152 A HA -0.112 4.209 4.320 0.000 0.000 0.219 152 A C 2.180 179.737 177.584 -0.046 0.000 1.169 152 A CA 1.194 53.207 52.037 -0.040 0.000 0.635 152 A CB -0.260 18.726 19.000 -0.022 0.000 0.810 152 A HN 0.278 nan 8.150 nan 0.000 0.446 153 I N -1.415 119.121 120.570 -0.057 0.000 2.726 153 I HA 0.041 4.211 4.170 0.000 0.000 0.243 153 I C 0.576 176.654 176.117 -0.065 0.000 1.082 153 I CA 0.134 61.400 61.300 -0.057 0.000 1.447 153 I CB -0.138 37.831 38.000 -0.053 0.000 1.250 153 I HN 0.110 nan 8.210 nan 0.000 0.453 154 M N 3.201 122.757 119.600 -0.074 0.000 2.685 154 M HA 0.117 4.597 4.480 0.000 0.000 0.316 154 M C -0.194 176.063 176.300 -0.071 0.000 1.523 154 M CA 0.757 56.013 55.300 -0.073 0.000 1.472 154 M CB -0.770 31.782 32.600 -0.080 0.000 1.525 154 M HN 0.149 nan 8.290 nan 0.000 0.471 155 R N 2.686 123.149 120.500 -0.061 0.000 2.700 155 R HA 0.577 4.917 4.340 0.000 0.000 0.253 155 R C -2.190 174.081 176.300 -0.048 0.000 1.091 155 R CA -1.361 54.707 56.100 -0.053 0.000 1.104 155 R CB 0.318 30.589 30.300 -0.048 0.000 1.202 155 R HN 0.318 nan 8.270 nan 0.000 0.532 156 P HA 0.134 nan 4.420 nan 0.000 0.276 156 P C 0.226 177.505 177.300 -0.035 0.000 1.235 156 P CA 0.190 63.268 63.100 -0.036 0.000 0.772 156 P CB 0.956 32.637 31.700 -0.031 0.000 0.871 157 G N 2.107 110.887 108.800 -0.034 0.000 2.245 157 G HA2 -0.255 3.706 3.960 0.000 0.000 0.264 157 G HA3 -0.255 3.706 3.960 0.000 0.000 0.264 157 G C 0.504 175.380 174.900 -0.039 0.000 0.985 157 G CA 0.060 45.141 45.100 -0.033 0.000 0.625 157 G HN 0.896 nan 8.290 nan 0.000 0.536 158 A N 1.284 124.077 122.820 -0.045 0.000 2.561 158 A HA 0.512 4.833 4.320 0.000 0.000 0.251 158 A C 1.203 178.753 177.584 -0.056 0.000 1.062 158 A CA 1.605 53.609 52.037 -0.055 0.000 0.761 158 A CB -0.168 18.796 19.000 -0.061 0.000 0.986 158 A HN 1.895 nan 8.150 nan 0.000 0.510 159 T N 0.532 115.048 114.554 -0.064 0.000 2.788 159 T HA 0.278 4.628 4.350 0.000 0.000 0.280 159 T C 0.952 175.607 174.700 -0.074 0.000 0.984 159 T CA 0.180 62.243 62.100 -0.062 0.000 0.972 159 T CB 0.601 69.432 68.868 -0.063 0.000 1.039 159 T HN 0.673 nan 8.240 nan 0.000 0.530 160 E N -0.422 119.741 120.200 -0.061 0.000 2.114 160 E HA -0.164 4.186 4.350 0.000 0.000 0.199 160 E C 1.847 178.380 176.600 -0.111 0.000 1.008 160 E CA 1.101 57.463 56.400 -0.063 0.000 0.810 160 E CB -0.254 29.426 29.700 -0.034 0.000 0.739 160 E HN 0.518 nan 8.360 nan 0.000 0.456 161 L N 1.466 122.607 121.223 -0.136 0.000 2.056 161 L HA -0.165 4.176 4.340 0.000 0.000 0.207 161 L C 1.569 178.251 176.870 -0.312 0.000 1.078 161 L CA 1.804 56.493 54.840 -0.251 0.000 0.749 161 L CB -0.292 41.639 42.059 -0.214 0.000 0.901 161 L HN -0.013 nan 8.230 nan 0.000 0.433 162 D N -0.272 120.006 120.400 -0.204 0.000 2.123 162 D HA -0.214 4.426 4.640 0.000 0.000 0.196 162 D C 2.287 178.481 176.300 -0.177 0.000 0.992 162 D CA 1.972 55.865 54.000 -0.179 0.000 0.833 162 D CB -0.109 40.620 40.800 -0.117 0.000 0.954 162 D HN 0.433 nan 8.370 nan 0.000 0.455 163 I N 1.156 121.637 120.570 -0.149 0.000 2.202 163 I HA -0.206 3.964 4.170 0.000 0.000 0.242 163 I C 2.571 178.605 176.117 -0.138 0.000 1.091 163 I CA 0.942 62.172 61.300 -0.117 0.000 1.368 163 I CB -0.247 37.703 38.000 -0.082 0.000 1.058 163 I HN -0.095 nan 8.210 nan 0.000 0.410 164 A N 0.844 123.547 122.820 -0.194 0.000 1.883 164 A HA -0.237 4.083 4.320 0.000 0.000 0.217 164 A C 2.354 179.756 177.584 -0.304 0.000 1.186 164 A CA 1.789 53.702 52.037 -0.207 0.000 0.624 164 A CB -0.473 18.377 19.000 -0.251 0.000 0.822 164 A HN 0.305 nan 8.150 nan 0.000 0.444 165 K N -1.078 119.002 120.400 -0.532 0.000 2.001 165 K HA -0.060 4.260 4.320 0.000 0.000 0.208 165 K C 2.223 178.735 176.600 -0.147 0.000 1.048 165 K CA 1.005 57.041 56.287 -0.419 0.000 0.932 165 K CB -0.505 31.693 32.500 -0.502 0.000 0.715 165 K HN 0.455 nan 8.250 nan 0.000 0.437 166 G N 1.159 109.874 108.800 -0.141 0.000 2.446 166 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 166 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 166 G C 1.604 176.480 174.900 -0.040 0.000 1.168 166 G CA 1.501 46.556 45.100 -0.076 0.000 0.771 166 G HN 0.445 nan 8.290 nan 0.000 0.551 167 S N -0.109 115.567 115.700 -0.041 0.000 2.368 167 S HA -0.152 4.318 4.470 0.000 0.000 0.224 167 S C 2.234 176.848 174.600 0.023 0.000 1.029 167 S CA 1.626 59.820 58.200 -0.010 0.000 0.988 167 S CB -0.465 62.728 63.200 -0.012 0.000 0.838 167 S HN 0.528 nan 8.310 nan 0.000 0.462 168 Q N 1.419 121.250 119.800 0.052 0.000 2.061 168 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 168 Q C 2.340 178.388 176.000 0.081 0.000 0.984 168 Q CA 1.624 57.490 55.803 0.105 0.000 0.846 168 Q CB -0.609 28.263 28.738 0.223 0.000 0.902 168 Q HN 0.718 nan 8.270 nan 0.000 0.421 169 A N 1.220 124.078 122.820 0.063 0.000 1.877 169 A HA -0.164 4.156 4.320 0.000 0.000 0.216 169 A C 2.056 179.660 177.584 0.032 0.000 1.186 169 A CA 1.164 53.230 52.037 0.049 0.000 0.620 169 A CB -0.828 18.192 19.000 0.033 0.000 0.822 169 A HN 0.537 nan 8.150 nan 0.000 0.443 170 L N 0.098 121.333 121.223 0.020 0.000 2.027 170 L HA -0.111 4.230 4.340 0.000 0.000 0.206 170 L C 2.464 179.346 176.870 0.021 0.000 1.074 170 L CA 1.918 56.767 54.840 0.015 0.000 0.745 170 L CB -0.624 41.438 42.059 0.005 0.000 0.898 170 L HN 0.270 nan 8.230 nan 0.000 0.433 171 V N -0.632 119.297 119.914 0.026 0.000 2.343 171 V HA -0.261 3.860 4.120 0.000 0.000 0.247 171 V C 2.847 178.961 176.094 0.034 0.000 1.051 171 V CA 1.784 64.102 62.300 0.029 0.000 1.036 171 V CB -0.521 31.321 31.823 0.033 0.000 0.654 171 V HN 0.511 nan 8.190 nan 0.000 0.451 172 S N -0.728 114.997 115.700 0.041 0.000 2.387 172 S HA -0.296 4.175 4.470 0.000 0.000 0.230 172 S C 2.008 176.626 174.600 0.030 0.000 1.035 172 S CA 2.070 60.295 58.200 0.041 0.000 1.014 172 S CB -0.183 63.047 63.200 0.050 0.000 0.836 172 S HN 0.744 nan 8.310 nan 0.000 0.466 173 Q N -0.316 119.500 119.800 0.026 0.000 2.212 173 Q HA 0.149 4.490 4.340 0.000 0.000 0.199 173 Q C 2.162 178.173 176.000 0.017 0.000 0.950 173 Q CA 1.064 56.879 55.803 0.020 0.000 0.863 173 Q CB -0.089 28.660 28.738 0.018 0.000 0.944 173 Q HN 0.559 nan 8.270 nan 0.000 0.465 174 I N 0.047 120.628 120.570 0.018 0.000 2.286 174 I HA -0.219 3.951 4.170 0.000 0.000 0.245 174 I C 2.169 178.296 176.117 0.016 0.000 1.104 174 I CA 0.564 61.874 61.300 0.017 0.000 1.397 174 I CB -0.130 37.881 38.000 0.019 0.000 1.072 174 I HN 0.021 nan 8.210 nan 0.000 0.417 175 V N 2.365 122.291 119.914 0.019 0.000 2.250 175 V HA -0.219 3.901 4.120 0.000 0.000 0.250 175 V C -0.233 175.869 176.094 0.013 0.000 1.060 175 V CA 2.403 64.714 62.300 0.018 0.000 1.030 175 V CB -2.093 29.744 31.823 0.024 0.000 0.643 175 V HN 0.382 nan 8.190 nan 0.000 0.445 176 P HA -0.095 nan 4.420 nan 0.000 0.225 176 P C 1.635 178.936 177.300 0.001 0.000 1.148 176 P CA 1.301 64.405 63.100 0.006 0.000 0.779 176 P CB -0.016 31.688 31.700 0.007 0.000 0.780 177 L N -1.445 119.780 121.223 0.003 0.000 2.307 177 L HA 0.035 4.376 4.340 0.000 0.000 0.211 177 L C 2.649 179.517 176.870 -0.004 0.000 1.099 177 L CA 0.420 55.259 54.840 -0.001 0.000 0.816 177 L CB -0.654 41.407 42.059 0.003 0.000 0.952 177 L HN -0.109 nan 8.230 nan 0.000 0.455 178 L N -0.113 121.110 121.223 0.001 0.000 2.046 178 L HA -0.127 4.214 4.340 0.000 0.000 0.208 178 L C 2.655 179.521 176.870 -0.007 0.000 1.077 178 L CA 1.436 56.277 54.840 0.002 0.000 0.747 178 L CB -1.038 41.026 42.059 0.009 0.000 0.896 178 L HN 0.312 nan 8.230 nan 0.000 0.432 179 G N 0.588 109.382 108.800 -0.009 0.000 2.480 179 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 179 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 179 G C -0.685 174.189 174.900 -0.043 0.000 1.200 179 G CA 0.753 45.842 45.100 -0.018 0.000 0.782 179 G HN 0.314 nan 8.290 nan 0.000 0.554 180 P HA -0.120 nan 4.420 nan 0.000 0.216 180 P C 2.057 179.313 177.300 -0.073 0.000 1.150 180 P CA 1.019 64.076 63.100 -0.073 0.000 0.837 180 P CB -0.113 31.556 31.700 -0.052 0.000 0.786 181 M N -0.926 118.649 119.600 -0.042 0.000 2.117 181 M HA -0.123 4.357 4.480 0.000 0.000 0.262 181 M C 1.937 178.219 176.300 -0.030 0.000 1.065 181 M CA 1.819 57.102 55.300 -0.029 0.000 1.114 181 M CB -1.030 31.563 32.600 -0.011 0.000 1.361 181 M HN -0.105 nan 8.290 nan 0.000 0.408 182 I N 0.281 120.834 120.570 -0.028 0.000 2.179 182 I HA -0.346 3.825 4.170 0.000 0.000 0.242 182 I C 2.533 178.625 176.117 -0.041 0.000 1.088 182 I CA 1.565 62.855 61.300 -0.017 0.000 1.357 182 I CB -0.464 37.533 38.000 -0.005 0.000 1.051 182 I HN 0.376 nan 8.210 nan 0.000 0.409 183 Q N 1.105 120.838 119.800 -0.112 0.000 2.077 183 Q HA -0.282 4.058 4.340 0.000 0.000 0.206 183 Q C 1.742 177.549 176.000 -0.320 0.000 0.989 183 Q CA 2.286 57.921 55.803 -0.280 0.000 0.853 183 Q CB -0.086 28.426 28.738 -0.376 0.000 0.907 183 Q HN 0.413 nan 8.270 nan 0.000 0.418 184 D N -0.761 119.526 120.400 -0.188 0.000 2.097 184 D HA -0.166 4.475 4.640 0.000 0.000 0.195 184 D C 1.819 178.133 176.300 0.023 0.000 0.989 184 D CA 1.399 55.348 54.000 -0.084 0.000 0.827 184 D CB -0.140 40.631 40.800 -0.048 0.000 0.966 184 D HN 0.357 nan 8.370 nan 0.000 0.456 185 M N -0.072 119.540 119.600 0.022 0.000 2.175 185 M HA -0.071 4.409 4.480 0.000 0.000 0.264 185 M C 2.295 178.656 176.300 0.103 0.000 1.063 185 M CA 0.593 55.927 55.300 0.056 0.000 1.119 185 M CB -0.713 31.910 32.600 0.038 0.000 1.377 185 M HN 0.063 nan 8.290 nan 0.000 0.415 186 L N 0.156 121.454 121.223 0.124 0.000 2.017 186 L HA -0.096 4.244 4.340 0.000 0.000 0.208 186 L C 2.156 179.224 176.870 0.331 0.000 1.073 186 L CA 1.847 56.810 54.840 0.204 0.000 0.745 186 L CB -0.858 41.335 42.059 0.223 0.000 0.894 186 L HN 0.114 nan 8.230 nan 0.000 0.432 187 F N -1.278 118.696 119.950 0.040 0.000 2.216 187 F HA -0.266 4.261 4.527 0.000 0.000 0.300 187 F C 2.531 178.359 175.800 0.047 0.000 1.085 187 F CA 1.063 59.087 58.000 0.040 0.000 1.326 187 F CB -0.155 38.864 39.000 0.031 0.000 1.027 187 F HN 0.174 nan 8.300 nan 0.000 0.497 188 M N -0.026 119.718 119.600 0.240 0.000 2.117 188 M HA -0.246 4.235 4.480 0.000 0.000 0.262 188 M C 2.245 178.636 176.300 0.152 0.000 1.065 188 M CA 1.654 57.046 55.300 0.155 0.000 1.114 188 M CB -0.112 32.554 32.600 0.110 0.000 1.361 188 M HN 0.046 nan 8.290 nan 0.000 0.408 189 Q N 0.160 120.053 119.800 0.154 0.000 2.172 189 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 189 Q C 2.064 178.158 176.000 0.156 0.000 0.964 189 Q CA 1.237 57.140 55.803 0.167 0.000 0.855 189 Q CB -0.387 28.432 28.738 0.136 0.000 0.918 189 Q HN 0.577 nan 8.270 nan 0.000 0.444 190 L N -0.019 121.265 121.223 0.103 0.000 2.109 190 L HA -0.109 4.231 4.340 0.000 0.000 0.207 190 L C 2.569 179.439 176.870 -0.001 0.000 1.086 190 L CA 0.884 55.736 54.840 0.021 0.000 0.760 190 L CB -0.284 41.731 42.059 -0.073 0.000 0.910 190 L HN 0.155 nan 8.230 nan 0.000 0.437 191 R N -0.861 119.656 120.500 0.029 0.000 2.081 191 R HA -0.208 4.133 4.340 0.000 0.000 0.235 191 R C 2.340 178.681 176.300 0.068 0.000 1.131 191 R CA 1.602 57.715 56.100 0.023 0.000 0.960 191 R CB -0.480 29.847 30.300 0.046 0.000 0.856 191 R HN 0.355 nan 8.270 nan 0.000 0.436 192 H N 0.543 119.653 119.070 0.067 0.000 2.387 192 H HA -0.051 4.505 4.556 0.000 0.000 0.299 192 H C 1.960 177.381 175.328 0.156 0.000 1.090 192 H CA 1.660 57.803 56.048 0.159 0.000 1.332 192 H CB 0.000 29.879 29.762 0.195 0.000 1.386 192 H HN 0.005 nan 8.280 nan 0.000 0.516 193 M N -0.449 119.130 119.600 -0.035 0.000 2.254 193 M HA -0.108 4.372 4.480 0.000 0.000 0.265 193 M C 1.326 177.566 176.300 -0.101 0.000 1.066 193 M CA 1.264 56.510 55.300 -0.090 0.000 1.123 193 M CB -0.161 32.438 32.600 -0.002 0.000 1.388 193 M HN 0.402 nan 8.290 nan 0.000 0.425 194 M N -0.207 119.335 119.600 -0.096 0.000 2.200 194 M HA -0.150 4.330 4.480 0.000 0.000 0.265 194 M C 1.863 178.059 176.300 -0.174 0.000 1.066 194 M CA 1.464 56.696 55.300 -0.113 0.000 1.127 194 M CB -1.206 31.333 32.600 -0.103 0.000 1.379 194 M HN 0.257 nan 8.290 nan 0.000 0.420 195 E N 0.347 120.385 120.200 -0.270 0.000 2.072 195 E HA -0.107 4.243 4.350 0.000 0.000 0.191 195 E C 1.717 178.043 176.600 -0.456 0.000 0.985 195 E CA 1.921 58.031 56.400 -0.483 0.000 0.801 195 E CB -0.130 29.059 29.700 -0.850 0.000 0.750 195 E HN 0.354 nan 8.360 nan 0.000 0.452 196 T N 0.365 114.754 114.554 -0.275 0.000 2.720 196 T HA -0.180 4.170 4.350 0.000 0.000 0.268 196 T C 1.652 176.334 174.700 -0.029 0.000 1.037 196 T CA 1.586 63.681 62.100 -0.008 0.000 1.144 196 T CB -0.361 68.519 68.868 0.021 0.000 0.864 196 T HN 0.193 nan 8.240 nan 0.000 0.444 197 E N 1.346 121.507 120.200 -0.064 0.000 2.106 197 E HA 0.037 4.387 4.350 0.000 0.000 0.192 197 E C 2.199 178.771 176.600 -0.047 0.000 0.984 197 E CA 1.227 57.601 56.400 -0.042 0.000 0.806 197 E CB -0.562 29.111 29.700 -0.045 0.000 0.750 197 E HN 0.434 nan 8.360 nan 0.000 0.458 198 A N -0.044 122.727 122.820 -0.081 0.000 1.873 198 A HA -0.107 4.213 4.320 0.000 0.000 0.215 198 A C 2.489 180.041 177.584 -0.054 0.000 1.186 198 A CA 1.563 53.555 52.037 -0.076 0.000 0.616 198 A CB -0.746 18.188 19.000 -0.110 0.000 0.823 198 A HN 0.184 nan 8.150 nan 0.000 0.442 199 V N 0.873 120.751 119.914 -0.060 0.000 2.343 199 V HA -0.268 3.852 4.120 0.000 0.000 0.247 199 V C 2.446 178.556 176.094 0.026 0.000 1.051 199 V CA 2.335 64.632 62.300 -0.006 0.000 1.036 199 V CB -1.149 30.695 31.823 0.035 0.000 0.654 199 V HN 0.743 nan 8.190 nan 0.000 0.451 200 N N 0.692 119.409 118.700 0.028 0.000 2.069 200 N HA -0.187 4.553 4.740 0.000 0.000 0.191 200 N C 1.745 177.266 175.510 0.018 0.000 1.031 200 N CA 1.931 55.000 53.050 0.032 0.000 0.852 200 N CB -0.379 38.125 38.487 0.029 0.000 1.018 200 N HN 0.421 nan 8.380 nan 0.000 0.423 201 A N -0.453 122.369 122.820 0.004 0.000 1.902 201 A HA 0.031 4.351 4.320 0.000 0.000 0.217 201 A C 2.323 179.909 177.584 0.003 0.000 1.181 201 A CA 1.794 53.831 52.037 -0.000 0.000 0.623 201 A CB -1.418 17.576 19.000 -0.011 0.000 0.818 201 A HN 0.460 nan 8.150 nan 0.000 0.443 202 G N -0.674 108.127 108.800 0.002 0.000 2.422 202 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 202 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 202 G C 1.412 176.322 174.900 0.017 0.000 1.140 202 G CA 0.965 46.069 45.100 0.006 0.000 0.775 202 G HN 0.660 nan 8.290 nan 0.000 0.545 203 E N -0.134 120.081 120.200 0.025 0.000 2.152 203 E HA 0.002 4.352 4.350 0.000 0.000 0.192 203 E C 2.733 179.348 176.600 0.026 0.000 0.983 203 E CA 0.280 56.700 56.400 0.033 0.000 0.818 203 E CB -0.006 29.721 29.700 0.045 0.000 0.758 203 E HN 0.312 nan 8.360 nan 0.000 0.467 204 R N 0.182 120.695 120.500 0.021 0.000 2.093 204 R HA 0.046 4.386 4.340 0.000 0.000 0.224 204 R C 2.296 178.604 176.300 0.013 0.000 1.101 204 R CA 0.860 56.970 56.100 0.017 0.000 0.979 204 R CB -0.090 30.219 30.300 0.015 0.000 0.877 204 R HN 0.066 nan 8.270 nan 0.000 0.441 205 A N 1.369 124.195 122.820 0.011 0.000 1.898 205 A HA 0.096 4.416 4.320 0.000 0.000 0.216 205 A C 1.250 178.840 177.584 0.010 0.000 1.181 205 A CA 1.375 53.417 52.037 0.008 0.000 0.620 205 A CB -0.171 18.832 19.000 0.005 0.000 0.819 205 A HN 0.353 nan 8.150 nan 0.000 0.442 206 A N -2.270 120.558 122.820 0.012 0.000 2.282 206 A HA 0.608 4.929 4.320 0.000 0.000 0.324 206 A C 1.172 178.766 177.584 0.017 0.000 1.119 206 A CA 0.084 52.129 52.037 0.014 0.000 0.880 206 A CB 0.733 19.742 19.000 0.015 0.000 1.294 206 A HN 0.600 nan 8.150 nan 0.000 0.493 207 G N -0.592 108.218 108.800 0.017 0.000 2.727 207 G HA2 0.148 4.108 3.960 0.000 0.000 0.203 207 G HA3 0.148 4.108 3.960 0.000 0.000 0.203 207 G C 0.651 175.563 174.900 0.021 0.000 1.117 207 G CA 0.315 45.425 45.100 0.018 0.000 0.817 207 G HN 0.844 nan 8.290 nan 0.000 0.553 208 K N 1.367 121.780 120.400 0.020 0.000 2.156 208 K HA 0.319 4.639 4.320 0.000 0.000 0.242 208 K C -2.356 174.262 176.600 0.030 0.000 1.033 208 K CA -1.106 55.195 56.287 0.023 0.000 0.878 208 K CB -0.297 32.215 32.500 0.020 0.000 1.057 208 K HN 0.011 nan 8.250 nan 0.000 0.505 209 P HA 0.111 nan 4.420 nan 0.000 0.275 209 P C -0.335 176.990 177.300 0.042 0.000 1.228 209 P CA -0.286 62.842 63.100 0.045 0.000 0.786 209 P CB 0.557 32.287 31.700 0.051 0.000 0.927 210 L N 3.799 125.052 121.223 0.049 0.000 2.467 210 L HA 0.160 4.500 4.340 0.000 0.000 0.270 210 L C -1.712 175.183 176.870 0.041 0.000 1.205 210 L CA -1.794 53.070 54.840 0.040 0.000 0.828 210 L CB -0.645 41.441 42.059 0.044 0.000 1.101 210 L HN 0.250 nan 8.230 nan 0.000 0.479 211 P HA -0.059 nan 4.420 nan 0.000 0.257 211 P C 0.668 177.987 177.300 0.030 0.000 1.162 211 P CA 1.065 64.179 63.100 0.024 0.000 0.762 211 P CB 0.317 32.023 31.700 0.009 0.000 0.753 212 G N 2.449 111.273 108.800 0.040 0.000 2.155 212 G HA2 -0.217 3.743 3.960 0.000 0.000 0.257 212 G HA3 -0.217 3.743 3.960 0.000 0.000 0.257 212 G C 0.458 175.411 174.900 0.089 0.000 0.983 212 G CA -0.015 45.115 45.100 0.050 0.000 0.676 212 G HN 0.865 nan 8.290 nan 0.000 0.528 213 A N 0.274 123.156 122.820 0.103 0.000 2.488 213 A HA 0.655 4.975 4.320 0.000 0.000 0.249 213 A C 0.772 178.468 177.584 0.187 0.000 1.083 213 A CA 0.144 52.275 52.037 0.158 0.000 0.768 213 A CB 0.356 19.435 19.000 0.131 0.000 1.017 213 A HN 0.360 nan 8.150 nan 0.000 0.496 214 R N 1.562 122.237 120.500 0.291 0.000 2.532 214 R HA 0.250 4.591 4.340 0.000 0.000 0.295 214 R C -0.045 176.358 176.300 0.172 0.000 0.968 214 R CA -0.527 55.731 56.100 0.264 0.000 0.916 214 R CB 1.536 32.080 30.300 0.407 0.000 1.124 214 R HN 0.961 nan 8.270 nan 0.000 0.463 215 Q N 1.735 121.590 119.800 0.092 0.000 2.286 215 Q HA 0.370 4.710 4.340 0.000 0.000 0.267 215 Q C -0.401 175.570 176.000 -0.048 0.000 1.028 215 Q CA -0.312 55.506 55.803 0.025 0.000 0.901 215 Q CB 0.844 29.590 28.738 0.014 0.000 1.183 215 Q HN 0.414 nan 8.270 nan 0.000 0.392 216 V N 0.021 119.871 119.914 -0.107 0.000 3.130 216 V HA 0.673 4.793 4.120 0.000 0.000 0.310 216 V C -0.580 175.398 176.094 -0.193 0.000 1.158 216 V CA -0.862 61.297 62.300 -0.235 0.000 1.029 216 V CB 2.090 33.640 31.823 -0.456 0.000 1.057 216 V HN 0.787 nan 8.190 nan 0.000 0.436 217 T N 1.946 116.358 114.554 -0.238 0.000 2.824 217 T HA 0.740 5.091 4.350 0.000 0.000 0.280 217 T C -0.527 174.032 174.700 -0.235 0.000 0.995 217 T CA -0.383 61.602 62.100 -0.191 0.000 1.009 217 T CB 1.483 70.249 68.868 -0.170 0.000 0.955 217 T HN 0.788 nan 8.240 nan 0.000 0.452 218 V N 2.098 121.906 119.914 -0.176 0.000 2.540 218 V HA 0.872 4.993 4.120 0.000 0.000 0.302 218 V C -0.231 175.761 176.094 -0.171 0.000 1.035 218 V CA -0.900 61.275 62.300 -0.208 0.000 0.873 218 V CB 1.607 33.338 31.823 -0.152 0.000 0.992 218 V HN 1.095 nan 8.190 nan 0.000 0.428 219 A N 4.065 126.729 122.820 -0.261 0.000 2.414 219 A HA 0.938 5.258 4.320 0.000 0.000 0.306 219 A C -1.423 175.961 177.584 -0.334 0.000 1.054 219 A CA -0.389 51.537 52.037 -0.185 0.000 0.724 219 A CB 1.248 20.162 19.000 -0.144 0.000 1.267 219 A HN 0.594 nan 8.150 nan 0.000 0.418 220 F N 0.809 120.743 119.950 -0.027 0.000 2.480 220 F HA 0.693 5.220 4.527 0.000 0.000 0.329 220 F C 0.615 176.393 175.800 -0.038 0.000 1.091 220 F CA -0.221 57.770 58.000 -0.015 0.000 0.972 220 F CB 2.514 41.516 39.000 0.003 0.000 1.150 220 F HN 0.712 nan 8.300 nan 0.000 0.467 221 A N 2.451 125.345 122.820 0.124 0.000 2.332 221 A HA 0.573 4.893 4.320 0.000 0.000 0.300 221 A C -1.653 175.951 177.584 0.034 0.000 1.153 221 A CA -0.535 51.520 52.037 0.029 0.000 0.764 221 A CB 0.985 19.946 19.000 -0.064 0.000 1.174 221 A HN 0.703 nan 8.150 nan 0.000 0.467 222 D N 1.975 122.387 120.400 0.020 0.000 2.350 222 D HA 0.549 5.190 4.640 0.000 0.000 0.245 222 D C -0.668 175.613 176.300 -0.032 0.000 1.036 222 D CA -0.291 53.716 54.000 0.011 0.000 0.848 222 D CB 1.150 41.961 40.800 0.019 0.000 1.307 222 D HN 0.444 nan 8.370 nan 0.000 0.469 223 L N 3.522 124.725 121.223 -0.034 0.000 2.319 223 L HA 0.276 4.616 4.340 0.000 0.000 0.280 223 L C 0.444 177.259 176.870 -0.091 0.000 1.099 223 L CA -0.865 53.940 54.840 -0.059 0.000 0.828 223 L CB 0.998 43.052 42.059 -0.009 0.000 1.150 223 L HN 0.350 nan 8.230 nan 0.000 0.442 224 V N 1.420 121.231 119.914 -0.172 0.000 3.185 224 V HA 0.498 4.618 4.120 0.000 0.000 0.305 224 V C 0.955 176.845 176.094 -0.340 0.000 1.090 224 V CA -0.361 61.779 62.300 -0.265 0.000 1.107 224 V CB 0.514 32.048 31.823 -0.481 0.000 1.061 224 V HN 0.772 nan 8.190 nan 0.000 0.480 225 G N 1.639 110.287 108.800 -0.252 0.000 2.529 225 G HA2 0.482 4.442 3.960 0.000 0.000 0.277 225 G HA3 0.482 4.442 3.960 0.000 0.000 0.277 225 G C -0.129 174.486 174.900 -0.475 0.000 1.383 225 G CA -0.034 44.971 45.100 -0.159 0.000 1.050 225 G HN 2.181 nan 8.290 nan 0.000 0.526 232 V N -0.995 118.951 119.914 0.053 0.000 3.336 232 V HA 0.774 4.894 4.120 0.000 0.000 0.314 232 V C 0.004 176.105 176.094 0.010 0.000 1.088 232 V CA -0.849 61.474 62.300 0.039 0.000 1.033 232 V CB 1.249 33.085 31.823 0.021 0.000 1.181 232 V HN 0.499 nan 8.190 nan 0.000 0.449 233 V N 1.185 121.089 119.914 -0.017 0.000 2.487 233 V HA 0.539 4.659 4.120 0.000 0.000 0.298 233 V C 0.404 176.463 176.094 -0.059 0.000 1.028 233 V CA -0.012 62.267 62.300 -0.035 0.000 0.860 233 V CB 1.260 33.056 31.823 -0.045 0.000 0.991 233 V HN 1.219 nan 8.190 nan 0.000 0.427 234 S N 4.135 119.802 115.700 -0.055 0.000 2.589 234 S HA 0.442 4.912 4.470 0.000 0.000 0.265 234 S C 1.345 175.887 174.600 -0.098 0.000 1.342 234 S CA 0.304 58.462 58.200 -0.071 0.000 1.005 234 S CB 1.519 64.686 63.200 -0.055 0.000 0.909 234 S HN 1.187 nan 8.310 nan 0.000 0.555 235 A N 1.119 123.871 122.820 -0.113 0.000 2.016 235 A HA 0.058 4.378 4.320 0.000 0.000 0.217 235 A C 2.026 179.538 177.584 -0.119 0.000 1.162 235 A CA 1.390 53.354 52.037 -0.122 0.000 0.662 235 A CB -0.993 17.946 19.000 -0.103 0.000 0.812 235 A HN 1.040 nan 8.150 nan 0.000 0.450 236 E N 0.617 120.719 120.200 -0.164 0.000 2.107 236 E HA -0.168 4.182 4.350 0.000 0.000 0.191 236 E C 1.547 178.037 176.600 -0.182 0.000 0.982 236 E CA 1.494 57.726 56.400 -0.281 0.000 0.809 236 E CB -0.211 29.203 29.700 -0.476 0.000 0.756 236 E HN 0.490 nan 8.360 nan 0.000 0.459 237 E N 0.708 120.843 120.200 -0.109 0.000 2.204 237 E HA -0.101 4.249 4.350 0.000 0.000 0.194 237 E C 2.128 178.759 176.600 0.052 0.000 0.989 237 E CA 0.733 57.132 56.400 -0.003 0.000 0.824 237 E CB -0.202 29.498 29.700 -0.001 0.000 0.756 237 E HN 0.447 nan 8.360 nan 0.000 0.477 238 L N 0.141 121.353 121.223 -0.019 0.000 2.549 238 L HA -0.003 4.338 4.340 0.000 0.000 0.229 238 L C 2.170 179.036 176.870 -0.007 0.000 1.158 238 L CA 0.801 55.631 54.840 -0.017 0.000 0.842 238 L CB -0.495 41.541 42.059 -0.039 0.000 0.952 238 L HN 0.123 nan 8.230 nan 0.000 0.452 239 G N -0.896 107.900 108.800 -0.006 0.000 2.441 239 G HA2 -0.205 3.755 3.960 0.000 0.000 0.212 239 G HA3 -0.205 3.755 3.960 0.000 0.000 0.212 239 G C 1.551 176.468 174.900 0.029 0.000 1.164 239 G CA 0.237 45.339 45.100 0.004 0.000 0.811 239 G HN 0.464 nan 8.290 nan 0.000 0.535 240 H N 0.452 119.481 119.070 -0.069 0.000 2.462 240 H HA 0.196 4.752 4.556 0.000 0.000 0.292 240 H C 2.094 177.377 175.328 -0.076 0.000 1.049 240 H CA 0.627 56.632 56.048 -0.071 0.000 1.334 240 H CB -0.069 29.637 29.762 -0.094 0.000 1.404 240 H HN 0.294 nan 8.280 nan 0.000 0.544 241 L N 0.259 121.307 121.223 -0.291 0.000 2.127 241 L HA 0.065 4.406 4.340 0.000 0.000 0.203 241 L C 3.096 179.927 176.870 -0.065 0.000 1.080 241 L CA 0.802 55.455 54.840 -0.311 0.000 0.768 241 L CB -0.431 41.553 42.059 -0.125 0.000 0.924 241 L HN 0.297 nan 8.230 nan 0.000 0.444 242 A N 0.155 122.966 122.820 -0.014 0.000 1.933 242 A HA -0.127 4.193 4.320 0.000 0.000 0.218 242 A C 2.300 179.914 177.584 0.050 0.000 1.175 242 A CA 1.674 53.735 52.037 0.040 0.000 0.628 242 A CB -1.188 17.836 19.000 0.040 0.000 0.814 242 A HN 0.442 nan 8.150 nan 0.000 0.444 243 G N -1.109 107.700 108.800 0.015 0.000 2.443 243 G HA2 -0.174 3.786 3.960 0.000 0.000 0.219 243 G HA3 -0.174 3.786 3.960 0.000 0.000 0.219 243 G C 1.752 176.671 174.900 0.032 0.000 1.131 243 G CA 0.681 45.799 45.100 0.029 0.000 0.775 243 G HN 0.482 nan 8.290 nan 0.000 0.547 244 R N -0.881 119.616 120.500 -0.005 0.000 2.100 244 R HA 0.133 4.473 4.340 0.000 0.000 0.220 244 R C 2.397 178.817 176.300 0.200 0.000 1.091 244 R CA 0.505 56.641 56.100 0.060 0.000 0.986 244 R CB -0.418 29.821 30.300 -0.101 0.000 0.888 244 R HN 0.378 nan 8.270 nan 0.000 0.444 245 L N 0.858 122.200 121.223 0.199 0.000 2.093 245 L HA -0.052 4.288 4.340 0.000 0.000 0.208 245 L C 2.205 179.067 176.870 -0.014 0.000 1.085 245 L CA 1.764 56.635 54.840 0.052 0.000 0.755 245 L CB -0.487 41.589 42.059 0.028 0.000 0.904 245 L HN 0.074 nan 8.230 nan 0.000 0.435 246 A N -0.609 122.261 122.820 0.083 0.000 1.898 246 A HA -0.045 4.275 4.320 0.000 0.000 0.216 246 A C 2.350 180.032 177.584 0.164 0.000 1.181 246 A CA 1.440 53.597 52.037 0.200 0.000 0.620 246 A CB -1.577 17.595 19.000 0.285 0.000 0.819 246 A HN 0.501 nan 8.150 nan 0.000 0.442 247 G N -0.235 108.631 108.800 0.110 0.000 2.446 247 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 247 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 247 G C 1.498 176.417 174.900 0.033 0.000 1.168 247 G CA 1.283 46.433 45.100 0.084 0.000 0.771 247 G HN 0.427 nan 8.290 nan 0.000 0.551 248 L N 1.136 122.355 121.223 -0.007 0.000 2.093 248 L HA 0.178 4.518 4.340 0.000 0.000 0.208 248 L C 3.121 179.903 176.870 -0.147 0.000 1.085 248 L CA 1.967 56.769 54.840 -0.065 0.000 0.755 248 L CB -0.562 41.442 42.059 -0.092 0.000 0.904 248 L HN 0.249 nan 8.230 nan 0.000 0.435 249 A N -0.593 122.062 122.820 -0.274 0.000 1.898 249 A HA -0.228 4.092 4.320 0.000 0.000 0.216 249 A C 2.513 179.891 177.584 -0.344 0.000 1.181 249 A CA 1.626 53.348 52.037 -0.525 0.000 0.620 249 A CB -0.643 17.632 19.000 -1.208 0.000 0.819 249 A HN 0.464 nan 8.150 nan 0.000 0.442 250 R N -0.317 120.141 120.500 -0.070 0.000 2.091 250 R HA -0.190 4.150 4.340 0.000 0.000 0.238 250 R C 1.172 177.514 176.300 0.070 0.000 1.136 250 R CA 2.053 58.267 56.100 0.190 0.000 0.959 250 R CB -0.390 30.068 30.300 0.263 0.000 0.856 250 R HN 0.440 nan 8.270 nan 0.000 0.437 251 D N 0.367 120.777 120.400 0.016 0.000 2.162 251 D HA -0.072 4.568 4.640 0.000 0.000 0.203 251 D C 1.887 178.180 176.300 -0.013 0.000 0.967 251 D CA 0.957 54.962 54.000 0.009 0.000 0.840 251 D CB 0.024 40.826 40.800 0.004 0.000 0.972 251 D HN 0.298 nan 8.370 nan 0.000 0.482 252 L N 0.198 121.391 121.223 -0.049 0.000 2.509 252 L HA 0.076 4.416 4.340 0.000 0.000 0.222 252 L C 0.523 177.359 176.870 -0.056 0.000 1.123 252 L CA 0.478 55.282 54.840 -0.060 0.000 0.856 252 L CB 0.115 42.119 42.059 -0.092 0.000 0.985 252 L HN -0.175 nan 8.230 nan 0.000 0.456 253 T N 0.952 115.478 114.554 -0.046 0.000 2.837 253 T HA 0.683 5.033 4.350 0.000 0.000 0.285 253 T C -0.123 174.595 174.700 0.030 0.000 0.984 253 T CA -0.340 61.749 62.100 -0.019 0.000 1.049 253 T CB 1.949 70.816 68.868 -0.001 0.000 0.947 253 T HN 0.238 nan 8.240 nan 0.000 0.472 254 A N 4.403 127.235 122.820 0.020 0.000 2.606 254 A HA 0.789 5.109 4.320 0.000 0.000 0.293 254 A C -3.037 174.563 177.584 0.027 0.000 1.082 254 A CA -1.869 50.192 52.037 0.040 0.000 0.685 254 A CB 0.781 19.795 19.000 0.022 0.000 1.284 254 A HN 0.530 nan 8.150 nan 0.000 0.408 255 P HA 0.101 nan 4.420 nan 0.000 0.264 255 P C -1.773 175.518 177.300 -0.015 0.000 1.179 255 P CA -0.195 62.937 63.100 0.053 0.000 0.763 255 P CB 0.218 31.975 31.700 0.095 0.000 0.806 256 P HA 0.039 nan 4.420 nan 0.000 0.253 256 P C -0.423 176.607 177.300 -0.450 0.000 1.260 256 P CA 0.375 63.377 63.100 -0.164 0.000 0.800 256 P CB 0.358 31.955 31.700 -0.171 0.000 1.162 257 V N 1.474 121.203 119.914 -0.308 0.000 2.498 257 V HA 0.162 4.282 4.120 0.000 0.000 0.279 257 V C 0.074 176.071 176.094 -0.162 0.000 1.048 257 V CA -0.423 61.661 62.300 -0.359 0.000 0.967 257 V CB 0.569 32.279 31.823 -0.189 0.000 0.988 257 V HN 0.098 nan 8.190 nan 0.000 0.473 258 W N 4.088 125.389 121.300 0.001 0.000 2.529 258 W HA 0.413 5.073 4.660 0.000 0.000 0.321 258 W C -0.388 176.197 176.519 0.110 0.000 1.047 258 W CA -1.786 55.592 57.345 0.056 0.000 1.216 258 W CB 1.109 30.607 29.460 0.063 0.000 1.357 258 W HN 0.484 nan 8.180 nan 0.000 0.489 259 F N 5.484 125.540 119.950 0.175 0.000 2.405 259 F HA 0.226 4.753 4.527 0.000 0.000 0.358 259 F C 0.729 176.587 175.800 0.096 0.000 1.151 259 F CA -1.131 56.917 58.000 0.080 0.000 1.161 259 F CB 0.204 39.231 39.000 0.046 0.000 1.245 259 F HN 0.181 nan 8.300 nan 0.000 0.545 260 I N 4.374 125.096 120.570 0.253 0.000 2.235 260 I HA -0.087 4.083 4.170 0.000 0.000 0.241 260 I C 0.819 176.867 176.117 -0.115 0.000 1.085 260 I CA 1.258 62.611 61.300 0.088 0.000 1.378 260 I CB -0.857 37.250 38.000 0.178 0.000 1.076 260 I HN 0.546 nan 8.210 nan 0.000 0.415 261 K N -0.916 119.433 120.400 -0.086 0.000 2.658 261 K HA 0.382 4.702 4.320 0.000 0.000 0.293 261 K C -1.261 175.394 176.600 0.092 0.000 1.026 261 K CA -0.724 55.486 56.287 -0.128 0.000 0.871 261 K CB 1.332 33.805 32.500 -0.046 0.000 1.524 261 K HN -0.218 nan 8.250 nan 0.000 0.400 262 T N 1.810 116.405 114.554 0.067 0.000 2.792 262 T HA 0.522 4.872 4.350 0.000 0.000 0.280 262 T C -0.355 174.406 174.700 0.103 0.000 0.990 262 T CA -0.780 61.423 62.100 0.170 0.000 0.960 262 T CB 0.297 69.278 68.868 0.187 0.000 0.939 262 T HN 0.520 nan 8.240 nan 0.000 0.439 263 I N 0.530 121.176 120.570 0.127 0.000 2.411 263 I HA 0.743 4.913 4.170 0.000 0.000 0.284 263 I C 0.909 177.074 176.117 0.079 0.000 1.012 263 I CA -0.722 60.630 61.300 0.087 0.000 1.119 263 I CB 0.866 38.920 38.000 0.089 0.000 1.261 263 I HN 0.797 nan 8.210 nan 0.000 0.448 264 G N 6.124 114.960 108.800 0.060 0.000 2.602 264 G HA2 -0.362 3.599 3.960 0.000 0.000 0.310 264 G HA3 -0.362 3.599 3.960 0.000 0.000 0.310 264 G C 0.276 175.209 174.900 0.056 0.000 1.183 264 G CA 0.835 45.967 45.100 0.053 0.000 0.979 264 G HN 1.023 nan 8.290 nan 0.000 0.545 265 D N 1.455 121.884 120.400 0.050 0.000 2.615 265 D HA 0.634 5.274 4.640 0.000 0.000 0.236 265 D C 0.416 176.749 176.300 0.056 0.000 1.233 265 D CA 0.864 54.893 54.000 0.047 0.000 0.829 265 D CB 0.036 40.852 40.800 0.026 0.000 1.024 265 D HN 1.259 nan 8.370 nan 0.000 0.490 266 A N 0.159 123.031 122.820 0.088 0.000 2.414 266 A HA 0.665 4.985 4.320 0.000 0.000 0.306 266 A C -0.427 177.264 177.584 0.180 0.000 1.054 266 A CA -0.779 51.332 52.037 0.123 0.000 0.724 266 A CB 2.062 21.150 19.000 0.146 0.000 1.267 266 A HN 0.330 nan 8.150 nan 0.000 0.418 267 V N 0.017 120.025 119.914 0.156 0.000 2.667 267 V HA 0.811 4.931 4.120 0.000 0.000 0.308 267 V C -0.117 176.053 176.094 0.127 0.000 1.048 267 V CA -0.823 61.587 62.300 0.184 0.000 0.928 267 V CB 1.559 33.354 31.823 -0.047 0.000 1.004 267 V HN 1.005 nan 8.190 nan 0.000 0.444 268 M N 4.996 124.665 119.600 0.116 0.000 2.149 268 M HA 0.631 5.111 4.480 0.000 0.000 0.342 268 M C -1.762 174.497 176.300 -0.069 0.000 1.068 268 M CA -0.542 54.611 55.300 -0.246 0.000 0.991 268 M CB 1.185 33.611 32.600 -0.290 0.000 1.596 268 M HN 0.761 nan 8.290 nan 0.000 0.439 269 L N 5.484 126.581 121.223 -0.211 0.000 2.346 269 L HA 0.808 5.148 4.340 0.000 0.000 0.274 269 L C -1.096 175.651 176.870 -0.205 0.000 1.007 269 L CA -1.012 53.758 54.840 -0.117 0.000 0.818 269 L CB 2.080 44.054 42.059 -0.142 0.000 1.284 269 L HN 0.427 nan 8.230 nan 0.000 0.424 270 V N 1.362 121.181 119.914 -0.158 0.000 2.760 270 V HA 0.512 4.632 4.120 0.000 0.000 0.309 270 V C -0.955 174.817 176.094 -0.537 0.000 1.077 270 V CA -0.567 61.544 62.300 -0.316 0.000 0.910 270 V CB 2.280 33.877 31.823 -0.377 0.000 1.008 270 V HN 0.919 nan 8.190 nan 0.000 0.424 271 C N 5.905 124.829 119.300 -0.626 0.000 2.880 271 C HA 0.567 5.027 4.460 0.000 0.000 0.320 271 C C -1.736 172.898 174.990 -0.594 0.000 1.176 271 C CA -1.232 57.319 59.018 -0.778 0.000 1.390 271 C CB 2.510 29.944 27.740 -0.509 0.000 1.846 271 C HN 0.770 nan 8.230 nan 0.000 0.478 272 P HA 0.014 nan 4.420 nan 0.000 0.218 272 P C -0.472 176.706 177.300 -0.203 0.000 1.148 272 P CA 1.548 64.476 63.100 -0.287 0.000 0.822 272 P CB 0.124 31.714 31.700 -0.184 0.000 0.784 273 D N -1.439 118.831 120.400 -0.216 0.000 2.278 273 D HA 0.147 4.787 4.640 0.000 0.000 0.245 273 D C -1.573 174.640 176.300 -0.145 0.000 1.052 273 D CA -2.041 51.874 54.000 -0.142 0.000 0.834 273 D CB 1.313 42.050 40.800 -0.106 0.000 1.194 273 D HN 0.029 nan 8.370 nan 0.000 0.481 274 P HA -0.103 nan 4.420 nan 0.000 0.217 274 P C 1.036 178.283 177.300 -0.087 0.000 1.151 274 P CA 0.797 63.834 63.100 -0.105 0.000 0.828 274 P CB 0.421 32.078 31.700 -0.072 0.000 0.788 275 A N 1.411 124.229 122.820 -0.003 0.000 1.858 275 A HA -0.096 4.224 4.320 0.000 0.000 0.216 275 A C 0.017 177.666 177.584 0.108 0.000 1.190 275 A CA 2.174 54.291 52.037 0.134 0.000 0.617 275 A CB -2.265 16.867 19.000 0.220 0.000 0.827 275 A HN 0.230 nan 8.150 nan 0.000 0.443 276 P HA -0.094 nan 4.420 nan 0.000 0.221 276 P C 1.656 178.915 177.300 -0.068 0.000 1.150 276 P CA 0.764 63.850 63.100 -0.022 0.000 0.800 276 P CB -0.116 31.544 31.700 -0.067 0.000 0.787 277 L N -0.894 120.259 121.223 -0.118 0.000 2.044 277 L HA -0.064 4.276 4.340 0.000 0.000 0.205 277 L C 2.527 179.308 176.870 -0.148 0.000 1.075 277 L CA 1.277 56.023 54.840 -0.156 0.000 0.747 277 L CB -0.772 41.167 42.059 -0.200 0.000 0.903 277 L HN -0.190 nan 8.230 nan 0.000 0.435 278 L N -0.070 121.046 121.223 -0.178 0.000 2.083 278 L HA -0.259 4.081 4.340 0.000 0.000 0.209 278 L C 2.175 178.975 176.870 -0.116 0.000 1.083 278 L CA 1.743 56.416 54.840 -0.278 0.000 0.752 278 L CB -0.586 41.055 42.059 -0.697 0.000 0.899 278 L HN 0.456 nan 8.230 nan 0.000 0.433 279 D N -0.877 119.555 120.400 0.053 0.000 2.117 279 D HA -0.173 4.467 4.640 0.000 0.000 0.198 279 D C 1.935 178.232 176.300 -0.005 0.000 0.982 279 D CA 1.657 55.722 54.000 0.108 0.000 0.828 279 D CB 0.206 41.072 40.800 0.110 0.000 0.967 279 D HN 0.111 nan 8.370 nan 0.000 0.464 280 T N -0.247 114.278 114.554 -0.049 0.000 2.777 280 T HA -0.144 4.207 4.350 0.000 0.000 0.266 280 T C 2.121 176.760 174.700 -0.103 0.000 1.040 280 T CA 1.792 63.843 62.100 -0.081 0.000 1.141 280 T CB -0.469 68.340 68.868 -0.100 0.000 0.868 280 T HN 0.251 nan 8.240 nan 0.000 0.444 281 V N 0.298 120.142 119.914 -0.116 0.000 2.427 281 V HA -0.008 4.112 4.120 0.000 0.000 0.248 281 V C 2.311 178.338 176.094 -0.112 0.000 1.051 281 V CA 1.339 63.563 62.300 -0.126 0.000 1.048 281 V CB -1.187 30.556 31.823 -0.133 0.000 0.666 281 V HN 0.388 nan 8.190 nan 0.000 0.456 282 L N -0.367 120.800 121.223 -0.094 0.000 2.141 282 L HA -0.098 4.242 4.340 0.000 0.000 0.209 282 L C 2.881 179.709 176.870 -0.069 0.000 1.094 282 L CA 1.866 56.660 54.840 -0.076 0.000 0.763 282 L CB -0.510 41.523 42.059 -0.042 0.000 0.908 282 L HN 0.289 nan 8.230 nan 0.000 0.437 283 K N -0.375 119.985 120.400 -0.066 0.000 2.057 283 K HA -0.191 4.130 4.320 0.000 0.000 0.206 283 K C 2.029 178.573 176.600 -0.094 0.000 1.050 283 K CA 1.071 57.316 56.287 -0.070 0.000 0.935 283 K CB -0.213 32.250 32.500 -0.063 0.000 0.715 283 K HN 0.057 nan 8.250 nan 0.000 0.439 284 L N 0.922 122.075 121.223 -0.117 0.000 2.012 284 L HA -0.192 4.149 4.340 0.000 0.000 0.210 284 L C 2.016 178.788 176.870 -0.164 0.000 1.073 284 L CA 1.525 56.273 54.840 -0.153 0.000 0.748 284 L CB -0.285 41.669 42.059 -0.175 0.000 0.891 284 L HN -0.073 nan 8.230 nan 0.000 0.431 285 V N -0.166 119.666 119.914 -0.136 0.000 2.358 285 V HA -0.263 3.857 4.120 0.000 0.000 0.246 285 V C 2.553 178.582 176.094 -0.109 0.000 1.047 285 V CA 1.841 64.065 62.300 -0.126 0.000 1.035 285 V CB -0.756 31.009 31.823 -0.097 0.000 0.658 285 V HN 0.637 nan 8.190 nan 0.000 0.452 286 E N 0.450 120.597 120.200 -0.089 0.000 2.085 286 E HA -0.205 4.145 4.350 0.000 0.000 0.194 286 E C 2.164 178.721 176.600 -0.071 0.000 0.994 286 E CA 1.981 58.340 56.400 -0.068 0.000 0.801 286 E CB -0.058 29.608 29.700 -0.056 0.000 0.743 286 E HN 0.435 nan 8.360 nan 0.000 0.453 287 V N 0.919 120.779 119.914 -0.090 0.000 2.283 287 V HA -0.205 3.916 4.120 0.000 0.000 0.243 287 V C 2.630 178.658 176.094 -0.109 0.000 1.039 287 V CA 1.394 63.643 62.300 -0.086 0.000 1.016 287 V CB -0.275 31.491 31.823 -0.095 0.000 0.650 287 V HN 0.176 nan 8.190 nan 0.000 0.449 288 V N 0.214 120.008 119.914 -0.199 0.000 2.392 288 V HA -0.285 3.835 4.120 0.000 0.000 0.249 288 V C 2.294 178.310 176.094 -0.131 0.000 1.059 288 V CA 2.226 64.348 62.300 -0.297 0.000 1.051 288 V CB -0.736 30.801 31.823 -0.477 0.000 0.658 288 V HN 0.537 nan 8.190 nan 0.000 0.455 289 D N 0.350 120.695 120.400 -0.093 0.000 2.149 289 D HA -0.130 4.510 4.640 0.000 0.000 0.198 289 D C 2.157 178.452 176.300 -0.007 0.000 0.990 289 D CA 1.858 55.834 54.000 -0.040 0.000 0.839 289 D CB -0.224 40.555 40.800 -0.035 0.000 0.948 289 D HN 0.626 nan 8.370 nan 0.000 0.460 290 T N -2.219 112.331 114.554 -0.007 0.000 3.272 290 T HA 0.044 4.394 4.350 0.000 0.000 0.250 290 T C 0.313 175.036 174.700 0.038 0.000 1.082 290 T CA -0.438 61.669 62.100 0.012 0.000 0.968 290 T CB 0.238 69.108 68.868 0.003 0.000 1.015 290 T HN -0.170 nan 8.240 nan 0.000 0.563 291 D N 1.756 122.196 120.400 0.066 0.000 2.340 291 D HA 0.426 5.066 4.640 0.000 0.000 0.243 291 D C -0.818 175.553 176.300 0.118 0.000 0.988 291 D CA -0.469 53.607 54.000 0.126 0.000 0.959 291 D CB 1.895 42.856 40.800 0.268 0.000 1.226 291 D HN 0.470 nan 8.370 nan 0.000 0.509 292 N N -0.076 118.683 118.700 0.098 0.000 2.312 292 N HA 0.231 4.971 4.740 0.000 0.000 0.296 292 N C -0.105 175.415 175.510 0.017 0.000 1.193 292 N CA -0.742 52.345 53.050 0.061 0.000 0.773 292 N CB 0.751 39.260 38.487 0.037 0.000 1.435 292 N HN 0.512 nan 8.380 nan 0.000 0.484 293 N N -0.706 117.993 118.700 -0.000 0.000 2.710 293 N HA -0.219 4.521 4.740 0.000 0.000 0.249 293 N C -1.421 173.988 175.510 -0.170 0.000 1.059 293 N CA 0.457 53.474 53.050 -0.055 0.000 0.720 293 N CB -0.694 37.759 38.487 -0.057 0.000 0.983 293 N HN 0.554 nan 8.380 nan 0.000 0.544 294 F N 0.153 120.091 119.950 -0.021 0.000 2.507 294 F HA 0.457 4.985 4.527 0.000 0.000 0.328 294 F C -1.847 173.912 175.800 -0.069 0.000 1.136 294 F CA -1.835 56.134 58.000 -0.052 0.000 0.930 294 F CB 1.738 40.703 39.000 -0.057 0.000 1.166 294 F HN -0.042 nan 8.300 nan 0.000 0.436 295 P HA 0.131 nan 4.420 nan 0.000 0.271 295 P C -0.638 176.636 177.300 -0.044 0.000 1.233 295 P CA -0.405 62.673 63.100 -0.037 0.000 0.789 295 P CB 0.553 32.166 31.700 -0.144 0.000 0.951 296 R N 0.535 120.964 120.500 -0.119 0.000 2.694 296 R HA 0.253 4.594 4.340 0.000 0.000 0.268 296 R C -0.134 176.093 176.300 -0.122 0.000 1.061 296 R CA -0.540 55.504 56.100 -0.092 0.000 1.133 296 R CB -0.100 30.177 30.300 -0.038 0.000 1.020 296 R HN 0.347 nan 8.270 nan 0.000 0.475 297 L N 2.513 123.663 121.223 -0.121 0.000 2.325 297 L HA 0.347 4.688 4.340 0.000 0.000 0.279 297 L C 0.098 176.925 176.870 -0.071 0.000 1.054 297 L CA -0.135 54.633 54.840 -0.120 0.000 0.804 297 L CB 0.961 42.916 42.059 -0.174 0.000 1.200 297 L HN 0.612 nan 8.230 nan 0.000 0.436 298 R N 3.845 124.316 120.500 -0.047 0.000 2.854 298 R HA 0.997 5.337 4.340 0.000 0.000 0.271 298 R C -1.561 174.732 176.300 -0.012 0.000 0.996 298 R CA -0.929 55.160 56.100 -0.019 0.000 0.961 298 R CB 1.689 31.995 30.300 0.009 0.000 1.182 298 R HN 0.652 nan 8.270 nan 0.000 0.479 299 A N 0.676 123.493 122.820 -0.005 0.000 2.486 299 A HA 0.732 5.052 4.320 0.000 0.000 0.300 299 A C -0.964 176.634 177.584 0.024 0.000 1.048 299 A CA -0.575 51.467 52.037 0.008 0.000 0.696 299 A CB 2.084 21.064 19.000 -0.033 0.000 1.278 299 A HN 0.901 nan 8.150 nan 0.000 0.405 300 G N 0.192 109.031 108.800 0.064 0.000 2.513 300 G HA2 0.607 4.567 3.960 0.000 0.000 0.317 300 G HA3 0.607 4.567 3.960 0.000 0.000 0.317 300 G C -1.180 173.765 174.900 0.075 0.000 1.277 300 G CA -0.512 44.631 45.100 0.071 0.000 0.955 300 G HN 1.087 nan 8.290 nan 0.000 0.484 301 V N 0.668 120.607 119.914 0.042 0.000 2.656 301 V HA 0.880 5.000 4.120 0.000 0.000 0.307 301 V C 0.210 176.323 176.094 0.033 0.000 1.051 301 V CA -0.700 61.607 62.300 0.012 0.000 0.893 301 V CB 1.198 32.997 31.823 -0.041 0.000 0.999 301 V HN 1.220 nan 8.190 nan 0.000 0.426 302 A N 2.945 125.777 122.820 0.021 0.000 2.515 302 A HA 0.964 5.284 4.320 0.000 0.000 0.296 302 A C -0.573 177.004 177.584 -0.012 0.000 1.094 302 A CA -0.575 51.476 52.037 0.024 0.000 0.718 302 A CB 2.184 21.215 19.000 0.052 0.000 1.307 302 A HN 0.706 nan 8.150 nan 0.000 0.408 303 S N -1.075 114.620 115.700 -0.009 0.000 2.568 303 S HA 0.961 5.431 4.470 0.000 0.000 0.293 303 S C 0.117 174.712 174.600 -0.009 0.000 1.089 303 S CA 0.088 58.270 58.200 -0.030 0.000 0.945 303 S CB 1.911 65.087 63.200 -0.039 0.000 1.077 303 S HN 2.218 nan 8.310 nan 0.000 0.485 304 G N 1.464 110.257 108.800 -0.011 0.000 2.351 304 G HA2 0.255 4.215 3.960 0.000 0.000 0.279 304 G HA3 0.255 4.215 3.960 0.000 0.000 0.279 304 G C -1.969 172.950 174.900 0.031 0.000 1.297 304 G CA -0.912 44.197 45.100 0.015 0.000 0.886 304 G HN 0.451 nan 8.290 nan 0.000 0.493 305 M N 1.188 120.825 119.600 0.061 0.000 2.108 305 M HA 0.696 5.176 4.480 0.000 0.000 0.354 305 M C 0.320 176.708 176.300 0.147 0.000 1.229 305 M CA -0.585 54.773 55.300 0.096 0.000 1.081 305 M CB 0.344 32.996 32.600 0.088 0.000 1.606 305 M HN 1.186 nan 8.290 nan 0.000 0.467 306 A N 3.747 126.700 122.820 0.222 0.000 2.413 306 A HA 0.858 5.178 4.320 0.000 0.000 0.307 306 A C -0.837 177.035 177.584 0.481 0.000 1.087 306 A CA -0.686 51.566 52.037 0.358 0.000 0.750 306 A CB 1.529 20.776 19.000 0.413 0.000 1.296 306 A HN 0.546 nan 8.150 nan 0.000 0.423 307 V N 0.977 121.137 119.914 0.410 0.000 2.472 307 V HA 0.579 4.699 4.120 0.000 0.000 0.290 307 V C 0.603 176.740 176.094 0.072 0.000 1.037 307 V CA -0.408 62.033 62.300 0.236 0.000 0.908 307 V CB 1.685 33.597 31.823 0.148 0.000 0.985 307 V HN 0.892 nan 8.190 nan 0.000 0.454 308 S N 4.794 120.288 115.700 -0.344 0.000 2.508 308 S HA 0.719 5.189 4.470 0.000 0.000 0.284 308 S C -0.456 173.963 174.600 -0.302 0.000 1.192 308 S CA -0.628 57.103 58.200 -0.781 0.000 1.070 308 S CB 0.471 62.911 63.200 -1.266 0.000 1.004 308 S HN 0.747 nan 8.310 nan 0.000 0.493 309 R N 2.641 123.046 120.500 -0.159 0.000 2.536 309 R HA 0.472 4.813 4.340 0.000 0.000 0.269 309 R C -0.351 175.957 176.300 0.014 0.000 1.113 309 R CA 0.310 56.376 56.100 -0.058 0.000 0.948 309 R CB 1.188 31.456 30.300 -0.053 0.000 1.237 309 R HN 1.097 nan 8.270 nan 0.000 0.441 310 A N 2.055 124.848 122.820 -0.046 0.000 2.832 310 A HA -0.206 4.114 4.320 0.000 0.000 0.280 310 A C 1.054 178.604 177.584 -0.056 0.000 1.464 310 A CA 1.955 53.975 52.037 -0.029 0.000 0.804 310 A CB -2.089 16.928 19.000 0.029 0.000 1.020 310 A HN 1.898 nan 8.150 nan 0.000 0.563 311 G N -2.165 106.553 108.800 -0.137 0.000 2.179 311 G HA2 -0.198 3.762 3.960 0.000 0.000 0.260 311 G HA3 -0.198 3.762 3.960 0.000 0.000 0.260 311 G C 0.004 174.807 174.900 -0.162 0.000 0.977 311 G CA 1.061 46.063 45.100 -0.164 0.000 0.641 311 G HN 1.332 nan 8.290 nan 0.000 0.533 312 D N -0.968 119.334 120.400 -0.163 0.000 2.384 312 D HA 0.696 5.336 4.640 0.000 0.000 0.250 312 D C -0.516 175.556 176.300 -0.379 0.000 1.029 312 D CA -0.609 53.304 54.000 -0.144 0.000 0.990 312 D CB 1.008 41.759 40.800 -0.081 0.000 1.175 312 D HN 0.141 nan 8.370 nan 0.000 0.532 313 W N 0.458 121.585 121.300 -0.288 0.000 2.844 313 W HA 0.587 5.247 4.660 0.000 0.000 0.340 313 W C -0.863 175.377 176.519 -0.465 0.000 1.093 313 W CA -0.605 56.641 57.345 -0.165 0.000 1.212 313 W CB 1.229 30.678 29.460 -0.019 0.000 1.422 313 W HN 0.082 nan 8.180 nan 0.000 0.515 314 F N 1.571 121.724 119.950 0.338 0.000 2.581 314 F HA 0.793 5.320 4.527 0.000 0.000 0.311 314 F C 0.656 176.574 175.800 0.197 0.000 1.113 314 F CA -0.558 57.567 58.000 0.208 0.000 0.935 314 F CB 2.139 41.197 39.000 0.098 0.000 1.232 314 F HN 0.587 nan 8.300 nan 0.000 0.445 315 G N 0.702 109.692 108.800 0.317 0.000 2.325 315 G HA2 0.061 4.022 3.960 0.000 0.000 0.285 315 G HA3 0.061 4.022 3.960 0.000 0.000 0.285 315 G C 0.115 175.115 174.900 0.167 0.000 1.303 315 G CA -0.211 45.023 45.100 0.222 0.000 0.970 315 G HN 0.686 nan 8.290 nan 0.000 0.490 316 S N 0.608 116.386 115.700 0.130 0.000 2.348 316 S HA -0.023 4.447 4.470 0.000 0.000 0.221 316 S C 0.569 175.227 174.600 0.097 0.000 1.033 316 S CA 2.628 60.887 58.200 0.099 0.000 1.010 316 S CB -0.770 62.476 63.200 0.077 0.000 0.891 316 S HN 0.511 nan 8.310 nan 0.000 0.442 317 P HA -0.061 nan 4.420 nan 0.000 0.218 317 P C 1.747 179.117 177.300 0.117 0.000 1.148 317 P CA 1.108 64.254 63.100 0.077 0.000 0.822 317 P CB -0.430 31.293 31.700 0.038 0.000 0.784 318 V N -0.299 119.709 119.914 0.157 0.000 2.453 318 V HA -0.150 3.970 4.120 0.000 0.000 0.247 318 V C 1.964 178.208 176.094 0.249 0.000 1.048 318 V CA 1.984 64.437 62.300 0.255 0.000 1.049 318 V CB -1.288 30.689 31.823 0.256 0.000 0.672 318 V HN -0.060 nan 8.190 nan 0.000 0.457 319 N N 0.825 119.618 118.700 0.155 0.000 2.106 319 N HA -0.099 4.642 4.740 0.000 0.000 0.188 319 N C 1.833 177.388 175.510 0.075 0.000 1.029 319 N CA 1.922 55.029 53.050 0.095 0.000 0.848 319 N CB -0.815 37.721 38.487 0.080 0.000 1.007 319 N HN 0.485 nan 8.380 nan 0.000 0.423 320 V N 1.761 121.727 119.914 0.086 0.000 2.261 320 V HA -0.189 3.931 4.120 0.000 0.000 0.246 320 V C 2.491 178.639 176.094 0.089 0.000 1.047 320 V CA 1.862 64.205 62.300 0.072 0.000 1.015 320 V CB -1.133 30.729 31.823 0.066 0.000 0.642 320 V HN 0.305 nan 8.190 nan 0.000 0.446 321 A N -0.537 122.369 122.820 0.143 0.000 1.940 321 A HA -0.275 4.045 4.320 0.000 0.000 0.219 321 A C 2.565 180.273 177.584 0.208 0.000 1.176 321 A CA 2.371 54.533 52.037 0.207 0.000 0.631 321 A CB -0.872 18.299 19.000 0.286 0.000 0.814 321 A HN 0.499 nan 8.150 nan 0.000 0.446 322 S N -0.998 114.751 115.700 0.082 0.000 2.383 322 S HA -0.180 4.290 4.470 0.000 0.000 0.229 322 S C 2.182 176.706 174.600 -0.126 0.000 1.030 322 S CA 1.410 59.444 58.200 -0.275 0.000 1.002 322 S CB -0.298 62.680 63.200 -0.369 0.000 0.829 322 S HN 0.558 nan 8.310 nan 0.000 0.467 323 R N 0.473 120.951 120.500 -0.037 0.000 2.100 323 R HA 0.159 4.500 4.340 0.000 0.000 0.220 323 R C 2.322 178.627 176.300 0.007 0.000 1.091 323 R CA 0.926 57.016 56.100 -0.016 0.000 0.986 323 R CB -1.374 28.926 30.300 0.001 0.000 0.888 323 R HN 0.403 nan 8.270 nan 0.000 0.444 324 V N 1.158 121.091 119.914 0.030 0.000 2.407 324 V HA -0.219 3.902 4.120 0.000 0.000 0.248 324 V C 2.163 178.280 176.094 0.038 0.000 1.055 324 V CA 2.185 64.510 62.300 0.040 0.000 1.049 324 V CB -0.792 31.066 31.823 0.058 0.000 0.662 324 V HN 0.321 nan 8.190 nan 0.000 0.455 325 T N 0.622 115.201 114.554 0.041 0.000 2.708 325 T HA -0.125 4.225 4.350 0.000 0.000 0.266 325 T C 1.845 176.556 174.700 0.018 0.000 1.037 325 T CA 1.600 63.725 62.100 0.040 0.000 1.146 325 T CB -0.625 68.276 68.868 0.056 0.000 0.865 325 T HN 0.614 nan 8.240 nan 0.000 0.435 326 G N 0.156 108.954 108.800 -0.003 0.000 2.679 326 G HA2 0.010 3.970 3.960 0.000 0.000 0.212 326 G HA3 0.010 3.970 3.960 0.000 0.000 0.212 326 G C 1.291 176.200 174.900 0.016 0.000 1.137 326 G CA 0.206 45.306 45.100 0.000 0.000 0.787 326 G HN 0.452 nan 8.290 nan 0.000 0.534 327 V N 0.029 119.955 119.914 0.019 0.000 3.578 327 V HA 0.464 4.584 4.120 0.000 0.000 0.290 327 V C 1.385 177.496 176.094 0.029 0.000 1.376 327 V CA 0.466 62.779 62.300 0.022 0.000 1.083 327 V CB 0.164 31.997 31.823 0.018 0.000 0.911 327 V HN 0.444 nan 8.190 nan 0.000 0.433 328 A N 0.426 123.266 122.820 0.034 0.000 2.293 328 A HA 0.641 4.961 4.320 0.000 0.000 0.302 328 A C 0.369 177.982 177.584 0.049 0.000 1.119 328 A CA -0.482 51.577 52.037 0.037 0.000 0.823 328 A CB 0.577 19.596 19.000 0.033 0.000 1.097 328 A HN 0.371 nan 8.150 nan 0.000 0.491 329 R N 0.695 121.225 120.500 0.049 0.000 2.615 329 R HA 0.297 4.637 4.340 0.000 0.000 0.270 329 R C -2.472 173.878 176.300 0.083 0.000 1.081 329 R CA -1.431 54.711 56.100 0.069 0.000 1.154 329 R CB -0.034 30.298 30.300 0.052 0.000 1.063 329 R HN 0.434 nan 8.270 nan 0.000 0.519 330 P HA -0.005 nan 4.420 nan 0.000 0.267 330 P C 0.407 177.747 177.300 0.066 0.000 1.205 330 P CA 0.721 63.896 63.100 0.125 0.000 0.765 330 P CB 0.557 32.428 31.700 0.286 0.000 0.828 331 G N 1.677 110.488 108.800 0.018 0.000 2.179 331 G HA2 -0.143 3.817 3.960 0.000 0.000 0.260 331 G HA3 -0.143 3.817 3.960 0.000 0.000 0.260 331 G C 0.304 175.199 174.900 -0.009 0.000 0.977 331 G CA 0.059 45.157 45.100 -0.003 0.000 0.641 331 G HN 0.870 nan 8.290 nan 0.000 0.533 332 A N -0.398 122.422 122.820 0.000 0.000 2.324 332 A HA 0.804 5.125 4.320 0.000 0.000 0.330 332 A C -0.046 177.527 177.584 -0.019 0.000 1.165 332 A CA -0.228 51.806 52.037 -0.005 0.000 0.813 332 A CB 1.931 20.939 19.000 0.015 0.000 1.197 332 A HN 1.077 nan 8.150 nan 0.000 0.484 333 V N 3.319 123.210 119.914 -0.038 0.000 2.347 333 V HA 0.335 4.455 4.120 0.000 0.000 0.280 333 V C -0.553 175.521 176.094 -0.033 0.000 1.021 333 V CA -0.282 61.986 62.300 -0.053 0.000 0.847 333 V CB 0.795 32.556 31.823 -0.102 0.000 0.990 333 V HN 0.739 nan 8.190 nan 0.000 0.444 334 L N 6.166 127.389 121.223 -0.001 0.000 2.317 334 L HA 0.701 5.041 4.340 0.000 0.000 0.281 334 L C -0.377 176.525 176.870 0.053 0.000 1.024 334 L CA 0.055 54.917 54.840 0.038 0.000 0.810 334 L CB 1.967 44.052 42.059 0.043 0.000 1.240 334 L HN 0.430 nan 8.230 nan 0.000 0.427 335 V N 4.019 124.003 119.914 0.117 0.000 2.588 335 V HA 0.755 4.875 4.120 0.000 0.000 0.304 335 V C 0.119 176.335 176.094 0.203 0.000 1.042 335 V CA -0.799 61.593 62.300 0.153 0.000 0.877 335 V CB 1.715 33.671 31.823 0.223 0.000 0.996 335 V HN 0.924 nan 8.190 nan 0.000 0.425 336 A N 2.307 125.210 122.820 0.137 0.000 2.332 336 A HA 0.318 4.638 4.320 0.000 0.000 0.258 336 A C 1.222 178.897 177.584 0.152 0.000 1.087 336 A CA -0.004 52.107 52.037 0.123 0.000 0.802 336 A CB 0.159 19.204 19.000 0.075 0.000 1.042 336 A HN 0.908 nan 8.150 nan 0.000 0.489 337 D N 0.657 121.143 120.400 0.143 0.000 2.158 337 D HA -0.180 4.460 4.640 0.000 0.000 0.197 337 D C 2.223 178.528 176.300 0.008 0.000 0.995 337 D CA 2.222 56.295 54.000 0.121 0.000 0.846 337 D CB -0.104 40.759 40.800 0.104 0.000 0.941 337 D HN 0.610 nan 8.370 nan 0.000 0.456 338 S N -0.680 115.031 115.700 0.017 0.000 2.387 338 S HA -0.167 4.303 4.470 0.000 0.000 0.230 338 S C 2.278 176.860 174.600 -0.029 0.000 1.035 338 S CA 1.401 59.597 58.200 -0.007 0.000 1.014 338 S CB -0.801 62.404 63.200 0.008 0.000 0.836 338 S HN 0.163 nan 8.310 nan 0.000 0.466 339 V N 1.873 121.779 119.914 -0.013 0.000 2.427 339 V HA -0.092 4.028 4.120 0.000 0.000 0.248 339 V C 2.892 178.947 176.094 -0.065 0.000 1.051 339 V CA 1.932 64.222 62.300 -0.017 0.000 1.048 339 V CB -0.875 30.970 31.823 0.036 0.000 0.666 339 V HN 0.457 nan 8.190 nan 0.000 0.456 340 R N 0.041 120.434 120.500 -0.179 0.000 2.066 340 R HA -0.162 4.178 4.340 0.000 0.000 0.232 340 R C 2.418 178.560 176.300 -0.263 0.000 1.131 340 R CA 1.788 57.643 56.100 -0.409 0.000 0.955 340 R CB -0.172 29.685 30.300 -0.738 0.000 0.851 340 R HN 0.600 nan 8.270 nan 0.000 0.432 341 E N -0.108 119.984 120.200 -0.180 0.000 2.070 341 E HA -0.233 4.118 4.350 0.000 0.000 0.197 341 E C 1.894 178.443 176.600 -0.085 0.000 1.004 341 E CA 1.540 57.870 56.400 -0.117 0.000 0.805 341 E CB -0.163 29.492 29.700 -0.074 0.000 0.744 341 E HN 0.420 nan 8.360 nan 0.000 0.451 342 A N 0.762 123.540 122.820 -0.069 0.000 1.933 342 A HA -0.154 4.167 4.320 0.000 0.000 0.218 342 A C 2.135 179.693 177.584 -0.044 0.000 1.175 342 A CA 1.070 53.077 52.037 -0.050 0.000 0.628 342 A CB -0.517 18.455 19.000 -0.047 0.000 0.814 342 A HN 0.160 nan 8.150 nan 0.000 0.444 343 L N -1.415 119.780 121.223 -0.047 0.000 2.291 343 L HA 0.070 4.410 4.340 0.000 0.000 0.214 343 L C 2.111 178.963 176.870 -0.030 0.000 1.120 343 L CA 0.512 55.344 54.840 -0.013 0.000 0.799 343 L CB -0.816 41.263 42.059 0.034 0.000 0.925 343 L HN 0.647 nan 8.230 nan 0.000 0.446 344 G N 0.595 109.354 108.800 -0.068 0.000 2.665 344 G HA2 -0.480 3.481 3.960 0.000 0.000 0.326 344 G HA3 -0.480 3.481 3.960 0.000 0.000 0.326 344 G C 0.215 175.069 174.900 -0.076 0.000 1.231 344 G CA 0.532 45.589 45.100 -0.072 0.000 0.992 344 G HN 0.447 nan 8.290 nan 0.000 0.549 345 D N -0.491 119.881 120.400 -0.047 0.000 2.968 345 D HA 0.885 5.525 4.640 0.000 0.000 0.301 345 D C 0.070 176.361 176.300 -0.015 0.000 1.226 345 D CA 1.156 55.135 54.000 -0.036 0.000 0.746 345 D CB 0.201 40.972 40.800 -0.047 0.000 1.278 345 D HN 1.758 nan 8.370 nan 0.000 0.544 351 G N -0.322 108.366 108.800 -0.187 0.000 2.396 351 G HA2 -0.105 3.855 3.960 0.000 0.000 0.242 351 G HA3 -0.105 3.855 3.960 0.000 0.000 0.242 351 G C 0.357 174.934 174.900 -0.538 0.000 1.069 351 G CA 0.601 45.437 45.100 -0.440 0.000 0.633 351 G HN 1.186 nan 8.290 nan 0.000 0.517 352 F N 1.295 121.211 119.950 -0.056 0.000 2.444 352 F HA 0.691 5.218 4.527 0.000 0.000 0.342 352 F C 0.423 176.055 175.800 -0.280 0.000 1.121 352 F CA -0.939 56.914 58.000 -0.245 0.000 0.997 352 F CB 1.938 40.705 39.000 -0.388 0.000 1.130 352 F HN -0.036 nan 8.300 nan 0.000 0.454 353 Q N 2.782 122.497 119.800 -0.142 0.000 2.278 353 Q HA 0.325 4.666 4.340 0.000 0.000 0.257 353 Q C -1.467 174.402 176.000 -0.218 0.000 0.928 353 Q CA -0.199 55.559 55.803 -0.075 0.000 0.932 353 Q CB 1.193 29.918 28.738 -0.022 0.000 1.221 353 Q HN 0.492 nan 8.270 nan 0.000 0.434 354 W N 0.723 122.047 121.300 0.041 0.000 2.647 354 W HA 0.712 5.372 4.660 0.000 0.000 0.353 354 W C -0.154 176.427 176.519 0.104 0.000 1.080 354 W CA -0.709 56.656 57.345 0.034 0.000 1.208 354 W CB 1.900 31.304 29.460 -0.092 0.000 1.396 354 W HN 0.397 nan 8.180 nan 0.000 0.573 355 S N 2.106 118.083 115.700 0.461 0.000 2.652 355 S HA 0.348 4.818 4.470 0.000 0.000 0.273 355 S C -1.372 173.504 174.600 0.461 0.000 1.172 355 S CA -0.806 57.617 58.200 0.370 0.000 1.009 355 S CB 0.032 63.363 63.200 0.219 0.000 1.094 355 S HN 0.386 nan 8.310 nan 0.000 0.471 356 F N 4.512 124.638 119.950 0.294 0.000 2.533 356 F HA 0.377 4.904 4.527 0.000 0.000 0.378 356 F C 1.300 177.064 175.800 -0.059 0.000 1.070 356 F CA 0.269 58.306 58.000 0.061 0.000 1.172 356 F CB 0.751 39.782 39.000 0.052 0.000 1.085 356 F HN 0.842 nan 8.300 nan 0.000 0.552 357 A N 4.359 127.321 122.820 0.236 0.000 2.063 357 A HA 0.547 4.867 4.320 0.000 0.000 0.211 357 A C 0.947 178.586 177.584 0.092 0.000 1.177 357 A CA 0.721 52.831 52.037 0.122 0.000 0.759 357 A CB -0.523 18.511 19.000 0.056 0.000 0.857 357 A HN 1.237 nan 8.150 nan 0.000 0.468 358 G N -1.539 107.378 108.800 0.196 0.000 2.459 358 G HA2 0.194 4.154 3.960 0.000 0.000 0.685 358 G HA3 0.194 4.154 3.960 0.000 0.000 0.685 358 G C -3.428 171.515 174.900 0.070 0.000 1.303 358 G CA -0.640 44.485 45.100 0.042 0.000 0.907 358 G HN 0.097 nan 8.290 nan 0.000 0.632 359 P HA 0.473 nan 4.420 nan 0.000 0.267 359 P C -0.028 177.275 177.300 0.003 0.000 1.201 359 P CA 0.186 63.300 63.100 0.024 0.000 0.775 359 P CB 0.614 32.316 31.700 0.004 0.000 0.854 360 R N 1.066 121.571 120.500 0.008 0.000 2.536 360 R HA 0.278 4.618 4.340 0.000 0.000 0.269 360 R C -0.920 175.385 176.300 0.008 0.000 1.113 360 R CA -0.850 55.253 56.100 0.005 0.000 0.948 360 R CB 1.145 31.449 30.300 0.007 0.000 1.237 360 R HN 0.437 nan 8.270 nan 0.000 0.441 361 R N 4.177 124.680 120.500 0.005 0.000 2.442 361 R HA 0.437 4.777 4.340 0.000 0.000 0.291 361 R C -0.916 175.389 176.300 0.008 0.000 1.069 361 R CA -0.211 55.893 56.100 0.007 0.000 1.022 361 R CB 0.585 30.887 30.300 0.004 0.000 0.976 361 R HN 0.421 nan 8.270 nan 0.000 0.443 362 L N 4.178 125.407 121.223 0.011 0.000 2.381 362 L HA 0.398 4.738 4.340 0.000 0.000 0.274 362 L C 1.325 178.201 176.870 0.010 0.000 0.988 362 L CA -1.095 53.752 54.840 0.011 0.000 0.824 362 L CB 2.121 44.189 42.059 0.016 0.000 1.263 362 L HN 0.777 nan 8.230 nan 0.000 0.410 363 R N 2.251 122.755 120.500 0.007 0.000 2.227 363 R HA -0.255 4.086 4.340 0.000 0.000 0.246 363 R C 1.622 177.927 176.300 0.008 0.000 1.119 363 R CA 2.270 58.373 56.100 0.005 0.000 0.930 363 R CB -0.612 29.688 30.300 0.001 0.000 0.912 363 R HN 0.928 nan 8.270 nan 0.000 0.435 364 G N 0.231 109.037 108.800 0.010 0.000 2.539 364 G HA2 0.097 4.057 3.960 0.000 0.000 0.215 364 G HA3 0.097 4.057 3.960 0.000 0.000 0.215 364 G C 0.610 175.521 174.900 0.018 0.000 1.141 364 G CA -0.138 44.970 45.100 0.014 0.000 0.806 364 G HN 0.040 nan 8.290 nan 0.000 0.533 365 I N -0.008 120.573 120.570 0.020 0.000 2.612 365 I HA 0.305 4.475 4.170 0.000 0.000 0.295 365 I C 0.759 176.888 176.117 0.020 0.000 1.011 365 I CA -0.798 60.516 61.300 0.023 0.000 1.326 365 I CB 1.404 39.420 38.000 0.028 0.000 1.427 365 I HN -0.142 nan 8.210 nan 0.000 0.537 366 R N 3.354 123.866 120.500 0.021 0.000 2.345 366 R HA 0.326 4.667 4.340 0.000 0.000 0.331 366 R C 0.892 177.203 176.300 0.017 0.000 1.067 366 R CA 1.089 57.200 56.100 0.018 0.000 0.962 366 R CB -0.476 29.835 30.300 0.019 0.000 0.987 366 R HN 0.939 nan 8.270 nan 0.000 0.451 367 G N 3.622 112.431 108.800 0.015 0.000 3.487 367 G HA2 -0.298 3.663 3.960 0.000 0.000 0.295 367 G HA3 -0.298 3.663 3.960 0.000 0.000 0.295 367 G C -0.582 174.326 174.900 0.014 0.000 1.454 367 G CA 0.487 45.595 45.100 0.013 0.000 1.039 367 G HN 0.598 nan 8.290 nan 0.000 0.624 368 D N -0.462 119.948 120.400 0.017 0.000 2.934 368 D HA 0.626 5.266 4.640 0.000 0.000 0.230 368 D C -0.693 175.622 176.300 0.025 0.000 1.204 368 D CA -0.005 54.006 54.000 0.019 0.000 0.873 368 D CB 2.210 43.020 40.800 0.018 0.000 1.645 368 D HN 0.615 nan 8.370 nan 0.000 0.502 369 V N 2.605 122.534 119.914 0.025 0.000 2.531 369 V HA 0.458 4.578 4.120 0.000 0.000 0.301 369 V C 0.323 176.432 176.094 0.025 0.000 1.034 369 V CA -0.868 61.450 62.300 0.029 0.000 0.865 369 V CB 1.955 33.795 31.823 0.029 0.000 0.995 369 V HN 0.336 nan 8.190 nan 0.000 0.424 370 R N 3.918 124.435 120.500 0.027 0.000 2.401 370 R HA 0.551 4.891 4.340 0.000 0.000 0.299 370 R C -0.969 175.256 176.300 -0.124 0.000 1.064 370 R CA -0.047 56.034 56.100 -0.031 0.000 1.000 370 R CB 0.453 30.739 30.300 -0.022 0.000 0.973 370 R HN 0.572 nan 8.270 nan 0.000 0.438 371 L N 4.110 125.189 121.223 -0.240 0.000 2.342 371 L HA 0.595 4.935 4.340 0.000 0.000 0.271 371 L C -0.812 175.772 176.870 -0.477 0.000 1.008 371 L CA -0.810 53.919 54.840 -0.183 0.000 0.818 371 L CB 1.337 43.373 42.059 -0.039 0.000 1.296 371 L HN 0.445 nan 8.230 nan 0.000 0.427 372 F N 0.366 120.352 119.950 0.060 0.000 2.565 372 F HA 0.541 5.068 4.527 0.000 0.000 0.313 372 F C 0.065 175.938 175.800 0.122 0.000 1.091 372 F CA -0.680 57.390 58.000 0.117 0.000 0.915 372 F CB 2.050 41.194 39.000 0.240 0.000 1.208 372 F HN 0.344 nan 8.300 nan 0.000 0.453 373 R N 1.655 122.317 120.500 0.271 0.000 2.349 373 R HA 0.778 5.118 4.340 0.000 0.000 0.299 373 R C -1.693 174.627 176.300 0.034 0.000 1.027 373 R CA -0.399 55.773 56.100 0.120 0.000 0.958 373 R CB 1.180 31.530 30.300 0.084 0.000 1.047 373 R HN 0.571 nan 8.270 nan 0.000 0.468 374 V N 4.833 124.657 119.914 -0.150 0.000 2.604 374 V HA 0.556 4.676 4.120 0.000 0.000 0.305 374 V C -0.191 175.756 176.094 -0.245 0.000 1.043 374 V CA -0.758 61.299 62.300 -0.406 0.000 0.888 374 V CB 1.851 33.232 31.823 -0.736 0.000 0.995 374 V HN 0.847 nan 8.190 nan 0.000 0.429 375 R N 2.153 122.527 120.500 -0.210 0.000 2.888 375 R HA 0.700 5.040 4.340 0.000 0.000 0.264 375 R C -0.542 175.721 176.300 -0.061 0.000 1.045 375 R CA -0.897 55.141 56.100 -0.105 0.000 0.962 375 R CB 2.517 32.779 30.300 -0.063 0.000 1.210 375 R HN 0.624 nan 8.270 nan 0.000 0.479 376 R N 0.000 120.483 120.500 -0.028 0.000 2.786 376 R HA 0.000 4.340 4.340 0.000 0.000 0.208 376 R CA 0.000 56.078 56.100 -0.036 0.000 0.921 376 R CB 0.000 30.280 30.300 -0.034 0.000 0.687 376 R HN 0.000 nan 8.270 nan 0.000 0.535