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 1izl_1_A DATA FIRST_RESID 32 DATA SEQUENCE WFGVIMIPTL LAATICFVIA FIAAPPVDID GIREPVSGSL LYGNNIITGA DATA SEQUENCE VVPSSNXXXX HFYPIWEAAS LDEWLYNGGP YQLIIFHFLL GASCYMGRQW DATA SEQUENCE ELSYRLGMRP WICVAYSAPL ASAFAVFLIY PIGQGSFSDG MPLGISGTFN DATA SEQUENCE FMIVFQAEHN ILMHPFHQLG VAGVFGGALF CAMHGSLVTS SLIRETTETE DATA SEQUENCE SANYGYKFGX XXXXXXXXXA HGYFGRLIFQ YASFNNSRSL HFFLAAWRVV DATA SEQUENCE GVWFAALGIS TMAFNLNGFN FNHSVIDAKG NVINTWADII NRANLGMEVM DATA SEQUENCE HERNAHNFPL DLA 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 32 W HA 0.000 nan 4.660 nan 0.000 0.303 32 W C 0.000 176.514 176.519 -0.008 0.000 1.175 32 W CA 0.000 57.340 57.345 -0.008 0.000 1.226 32 W CB 0.000 29.456 29.460 -0.007 0.000 1.126 33 F N 1.787 121.733 119.950 -0.007 0.000 2.084 33 F HA 0.461 4.988 4.527 0.001 0.000 0.296 33 F C 1.641 177.437 175.800 -0.007 0.000 1.111 33 F CA 1.616 59.612 58.000 -0.007 0.000 1.224 33 F CB -1.130 37.865 39.000 -0.007 0.000 0.991 33 F HN 0.747 nan 8.300 nan 0.000 0.471 34 G N -0.098 108.699 108.800 -0.006 0.000 2.327 34 G HA2 0.555 4.515 3.960 0.001 0.000 0.302 34 G HA3 0.555 4.515 3.960 0.001 0.000 0.302 34 G C -0.189 174.706 174.900 -0.008 0.000 1.113 34 G CA 0.402 45.499 45.100 -0.005 0.000 0.921 34 G HN 1.409 nan 8.290 nan 0.000 0.425 35 V N 1.759 121.668 119.914 -0.009 0.000 2.229 35 V HA 0.538 4.658 4.120 0.001 0.000 0.245 35 V C 1.248 177.333 176.094 -0.014 0.000 1.243 35 V CA 1.019 63.312 62.300 -0.012 0.000 1.176 35 V CB -0.612 31.204 31.823 -0.011 0.000 1.323 35 V HN 1.299 nan 8.190 nan 0.000 0.499 36 I N 1.499 122.059 120.570 -0.017 0.000 5.422 36 I HA 0.290 4.460 4.170 0.001 0.000 0.352 36 I C 2.020 178.118 176.117 -0.032 0.000 1.144 36 I CA 1.696 62.983 61.300 -0.022 0.000 1.603 36 I CB -0.524 37.470 38.000 -0.009 0.000 1.902 36 I HN 0.869 nan 8.210 nan 0.000 0.651 37 M N 0.799 120.385 119.600 -0.023 0.000 2.279 37 M HA 0.286 4.767 4.480 0.001 0.000 0.264 37 M C 2.453 178.730 176.300 -0.038 0.000 1.062 37 M CA 2.790 58.075 55.300 -0.024 0.000 1.099 37 M CB -1.990 30.602 32.600 -0.012 0.000 1.394 37 M HN 1.819 nan 8.290 nan 0.000 0.426 38 I N -0.858 119.690 120.570 -0.037 0.000 3.059 38 I HA 0.359 4.530 4.170 0.001 0.000 0.270 38 I C 0.685 176.765 176.117 -0.062 0.000 1.238 38 I CA 1.603 62.879 61.300 -0.040 0.000 1.478 38 I CB -1.868 36.115 38.000 -0.029 0.000 1.097 38 I HN 0.499 nan 8.210 nan 0.000 0.455 39 P HA 0.447 nan 4.420 nan 0.000 0.282 39 P C 1.284 178.446 177.300 -0.230 0.000 1.327 39 P CA 1.677 64.706 63.100 -0.119 0.000 0.949 39 P CB 0.267 31.918 31.700 -0.082 0.000 1.445 40 T N -2.201 112.224 114.554 -0.216 0.000 3.114 40 T HA 0.406 4.757 4.350 0.001 0.000 0.240 40 T C 2.072 176.619 174.700 -0.255 0.000 0.983 40 T CA 1.438 63.341 62.100 -0.328 0.000 1.151 40 T CB -0.804 67.990 68.868 -0.124 0.000 0.974 40 T HN 0.063 nan 8.240 nan 0.000 0.442 41 L N 1.342 122.496 121.223 -0.115 0.000 2.275 41 L HA 0.599 4.939 4.340 0.001 0.000 0.215 41 L C 3.168 180.002 176.870 -0.060 0.000 1.119 41 L CA 2.093 56.899 54.840 -0.057 0.000 0.790 41 L CB -1.996 40.049 42.059 -0.022 0.000 0.919 41 L HN 0.695 nan 8.230 nan 0.000 0.443 42 L N -1.908 119.263 121.223 -0.086 0.000 2.209 42 L HA 0.578 4.918 4.340 0.001 0.000 0.207 42 L C 2.795 179.629 176.870 -0.060 0.000 1.094 42 L CA 1.988 56.794 54.840 -0.057 0.000 0.790 42 L CB -1.595 40.432 42.059 -0.053 0.000 0.932 42 L HN 0.720 nan 8.230 nan 0.000 0.447 43 A N -0.959 121.772 122.820 -0.149 0.000 2.072 43 A HA 0.468 4.788 4.320 0.001 0.000 0.216 43 A C 2.357 179.951 177.584 0.017 0.000 1.156 43 A CA 1.221 53.186 52.037 -0.120 0.000 0.701 43 A CB -0.422 18.382 19.000 -0.327 0.000 0.816 43 A HN 1.201 nan 8.150 nan 0.000 0.458 44 A N -1.772 121.040 122.820 -0.014 0.000 2.308 44 A HA 0.481 4.802 4.320 0.001 0.000 0.217 44 A C 1.740 179.376 177.584 0.087 0.000 1.216 44 A CA 1.502 53.579 52.037 0.067 0.000 0.864 44 A CB -0.616 18.352 19.000 -0.053 0.000 0.902 44 A HN 0.541 nan 8.150 nan 0.000 0.499 45 T N -1.953 112.649 114.554 0.081 0.000 2.964 45 T HA 0.427 4.777 4.350 0.001 0.000 0.249 45 T C 1.807 176.599 174.700 0.153 0.000 1.000 45 T CA 1.107 63.272 62.100 0.107 0.000 0.992 45 T CB -0.410 68.488 68.868 0.049 0.000 1.087 45 T HN 0.592 nan 8.240 nan 0.000 0.489 46 I N 0.426 121.064 120.570 0.114 0.000 2.703 46 I HA 0.334 4.504 4.170 0.001 0.000 0.259 46 I C 2.948 179.141 176.117 0.126 0.000 1.151 46 I CA 1.391 62.753 61.300 0.103 0.000 1.470 46 I CB -1.669 36.370 38.000 0.066 0.000 1.112 46 I HN 0.733 nan 8.210 nan 0.000 0.437 47 C N -1.533 117.860 119.300 0.155 0.000 2.495 47 C HA 0.333 4.794 4.460 0.001 0.000 0.275 47 C C 2.574 177.676 174.990 0.188 0.000 1.392 47 C CA 0.906 60.020 59.018 0.160 0.000 1.766 47 C CB -1.094 26.754 27.740 0.180 0.000 1.933 47 C HN 0.679 nan 8.230 nan 0.000 0.519 48 F N 1.117 121.116 119.950 0.082 0.000 2.270 48 F HA 0.175 4.702 4.527 0.000 0.000 0.295 48 F C 2.227 178.074 175.800 0.078 0.000 1.087 48 F CA 1.694 59.752 58.000 0.097 0.000 1.365 48 F CB 0.225 39.296 39.000 0.118 0.000 1.056 48 F HN 0.143 nan 8.300 nan 0.000 0.506 49 V N -0.032 120.012 119.914 0.218 0.000 3.129 49 V HA 0.003 4.123 4.120 0.001 0.000 0.259 49 V C 2.207 178.324 176.094 0.038 0.000 1.116 49 V CA 1.960 64.331 62.300 0.118 0.000 1.127 49 V CB -1.422 30.482 31.823 0.136 0.000 0.742 49 V HN 0.247 nan 8.190 nan 0.000 0.474 50 I N -0.942 119.651 120.570 0.038 0.000 2.703 50 I HA 0.466 4.637 4.170 0.001 0.000 0.259 50 I C 2.535 178.637 176.117 -0.024 0.000 1.151 50 I CA 1.931 63.240 61.300 0.015 0.000 1.470 50 I CB -0.867 37.154 38.000 0.035 0.000 1.112 50 I HN 0.490 nan 8.210 nan 0.000 0.437 51 A N -0.197 122.591 122.820 -0.053 0.000 1.930 51 A HA 0.176 4.496 4.320 0.001 0.000 0.215 51 A C 2.538 180.047 177.584 -0.125 0.000 1.176 51 A CA 1.805 53.788 52.037 -0.089 0.000 0.632 51 A CB -1.267 17.673 19.000 -0.101 0.000 0.819 51 A HN 1.403 nan 8.150 nan 0.000 0.445 52 F N -0.200 119.645 119.950 -0.175 0.000 2.451 52 F HA 0.207 4.735 4.527 0.001 0.000 0.299 52 F C 2.571 178.324 175.800 -0.079 0.000 1.101 52 F CA 1.458 59.362 58.000 -0.159 0.000 1.436 52 F CB -1.167 37.712 39.000 -0.203 0.000 1.074 52 F HN 0.412 nan 8.300 nan 0.000 0.553 53 I N -0.218 120.318 120.570 -0.056 0.000 2.876 53 I HA 0.539 4.710 4.170 0.001 0.000 0.264 53 I C 2.338 178.435 176.117 -0.034 0.000 1.204 53 I CA 1.343 62.624 61.300 -0.031 0.000 1.485 53 I CB -1.478 36.513 38.000 -0.015 0.000 1.103 53 I HN 0.541 nan 8.210 nan 0.000 0.446 54 A N -0.107 122.686 122.820 -0.045 0.000 2.238 54 A HA 0.605 4.925 4.320 0.001 0.000 0.208 54 A C 1.855 179.412 177.584 -0.046 0.000 1.177 54 A CA 0.953 52.964 52.037 -0.044 0.000 0.804 54 A CB -0.513 18.456 19.000 -0.051 0.000 0.823 54 A HN 1.484 nan 8.150 nan 0.000 0.482 55 A N -1.176 121.616 122.820 -0.047 0.000 2.606 55 A HA 0.610 4.930 4.320 0.001 0.000 0.290 55 A C -0.290 177.275 177.584 -0.032 0.000 1.174 55 A CA 0.514 52.525 52.037 -0.043 0.000 0.958 55 A CB -0.135 18.834 19.000 -0.052 0.000 1.194 55 A HN 0.276 nan 8.150 nan 0.000 0.526 56 P HA 0.304 nan 4.420 nan 0.000 0.252 56 P C -0.318 176.972 177.300 -0.017 0.000 1.265 56 P CA 1.342 64.430 63.100 -0.019 0.000 0.775 56 P CB -0.657 31.034 31.700 -0.015 0.000 1.128 57 P HA 0.474 nan 4.420 nan 0.000 0.220 57 P C 0.558 177.848 177.300 -0.017 0.000 1.152 57 P CA 1.939 65.028 63.100 -0.019 0.000 0.812 57 P CB -0.082 31.604 31.700 -0.023 0.000 0.792 58 V N -2.851 117.053 119.914 -0.017 0.000 3.829 58 V HA 0.553 4.673 4.120 0.001 0.000 0.409 58 V C 0.479 176.566 176.094 -0.011 0.000 1.319 58 V CA 0.902 63.194 62.300 -0.013 0.000 1.906 58 V CB 0.099 31.913 31.823 -0.015 0.000 0.812 58 V HN 0.267 nan 8.190 nan 0.000 0.520 59 D N 1.022 121.417 120.400 -0.008 0.000 2.584 59 D HA 0.514 5.155 4.640 0.001 0.000 0.254 59 D C 1.878 178.181 176.300 0.005 0.000 1.085 59 D CA 2.499 56.498 54.000 -0.003 0.000 0.971 59 D CB 0.191 40.987 40.800 -0.005 0.000 1.103 59 D HN 2.334 nan 8.370 nan 0.000 0.453 60 I N -1.446 119.127 120.570 0.005 0.000 5.830 60 I HA 0.134 4.305 4.170 0.001 0.000 0.126 60 I C 1.182 177.310 176.117 0.019 0.000 1.817 60 I CA 1.725 63.031 61.300 0.009 0.000 2.044 60 I CB -2.779 35.224 38.000 0.005 0.000 3.396 60 I HN 2.102 nan 8.210 nan 0.000 0.171 61 D N -1.962 118.452 120.400 0.023 0.000 2.927 61 D HA 0.436 5.077 4.640 0.001 0.000 0.236 61 D C 1.736 178.067 176.300 0.052 0.000 1.163 61 D CA 2.012 56.034 54.000 0.037 0.000 0.801 61 D CB -1.486 39.336 40.800 0.037 0.000 0.975 61 D HN 3.112 nan 8.370 nan 0.000 0.413 62 G N -2.201 106.634 108.800 0.058 0.000 4.314 62 G HA2 0.546 4.507 3.960 0.001 0.000 0.166 62 G HA3 0.546 4.507 3.960 0.001 0.000 0.166 62 G C 1.740 176.699 174.900 0.099 0.000 1.213 62 G CA 1.889 47.042 45.100 0.088 0.000 1.027 62 G HN 1.788 nan 8.290 nan 0.000 0.352 63 I N 0.220 120.827 120.570 0.061 0.000 2.956 63 I HA 0.710 4.880 4.170 0.001 0.000 0.233 63 I C 2.147 178.281 176.117 0.028 0.000 1.054 63 I CA 3.020 64.352 61.300 0.054 0.000 1.456 63 I CB -1.536 36.481 38.000 0.028 0.000 1.297 63 I HN 1.917 nan 8.210 nan 0.000 0.448 64 R N -1.021 119.484 120.500 0.007 0.000 3.906 64 R HA 0.228 4.569 4.340 0.001 0.000 0.449 64 R C 1.727 178.015 176.300 -0.021 0.000 0.241 64 R CA 2.615 58.707 56.100 -0.012 0.000 1.420 64 R CB -2.538 27.748 30.300 -0.023 0.000 1.053 64 R HN 2.766 nan 8.270 nan 0.000 0.539 65 E N -3.274 116.902 120.200 -0.040 0.000 2.228 65 E HA 0.081 4.432 4.350 0.001 0.000 0.213 65 E C 0.075 176.654 176.600 -0.035 0.000 1.282 65 E CA 2.043 58.415 56.400 -0.046 0.000 0.707 65 E CB -2.819 26.849 29.700 -0.053 0.000 1.150 65 E HN 2.476 nan 8.360 nan 0.000 0.362 66 P HA 0.701 nan 4.420 nan 0.000 0.253 66 P C 0.688 177.963 177.300 -0.043 0.000 1.281 66 P CA 1.499 64.579 63.100 -0.033 0.000 0.792 66 P CB -0.259 31.422 31.700 -0.031 0.000 1.193 67 V N -1.408 118.478 119.914 -0.047 0.000 2.221 67 V HA 0.736 4.857 4.120 0.001 0.000 0.258 67 V C 0.787 176.848 176.094 -0.055 0.000 1.179 67 V CA 0.709 62.977 62.300 -0.053 0.000 1.022 67 V CB -0.166 31.623 31.823 -0.057 0.000 1.228 67 V HN 0.318 nan 8.190 nan 0.000 0.487 68 S N 2.615 118.274 115.700 -0.068 0.000 2.865 68 S HA 0.511 4.981 4.470 0.001 0.000 0.229 68 S C 0.600 175.101 174.600 -0.166 0.000 0.759 68 S CA 0.469 58.614 58.200 -0.092 0.000 1.142 68 S CB -0.164 63.011 63.200 -0.041 0.000 1.380 68 S HN 1.568 nan 8.310 nan 0.000 0.525 69 G N 0.874 109.594 108.800 -0.133 0.000 4.873 69 G HA2 0.660 4.620 3.960 0.001 0.000 0.314 69 G HA3 0.660 4.620 3.960 0.001 0.000 0.314 69 G C -0.102 174.724 174.900 -0.123 0.000 1.426 69 G CA 0.579 45.590 45.100 -0.148 0.000 1.136 69 G HN 1.277 nan 8.290 nan 0.000 0.589 70 S N -0.873 114.749 115.700 -0.131 0.000 2.653 70 S HA 0.779 5.250 4.470 0.001 0.000 0.268 70 S C 0.853 175.395 174.600 -0.096 0.000 1.153 70 S CA 0.017 58.158 58.200 -0.097 0.000 1.036 70 S CB 0.081 63.237 63.200 -0.073 0.000 1.103 70 S HN 1.929 nan 8.310 nan 0.000 0.466 71 L N -0.523 120.647 121.223 -0.088 0.000 3.370 71 L HA 0.233 4.573 4.340 0.001 0.000 0.308 71 L C 1.589 178.407 176.870 -0.088 0.000 4.222 71 L CA 2.663 57.460 54.840 -0.072 0.000 1.163 71 L CB -2.307 39.724 42.059 -0.048 0.000 3.373 71 L HN 2.717 nan 8.230 nan 0.000 0.809 72 L N -5.353 115.807 121.223 -0.106 0.000 2.933 72 L HA 0.748 5.088 4.340 0.001 0.000 0.271 72 L C 0.843 177.627 176.870 -0.143 0.000 1.071 72 L CA 0.312 55.084 54.840 -0.112 0.000 0.938 72 L CB 0.018 42.070 42.059 -0.010 0.000 1.534 72 L HN 1.008 nan 8.230 nan 0.000 0.396 73 Y N 0.578 120.855 120.300 -0.038 0.000 2.200 73 Y HA 0.347 4.897 4.550 0.001 0.000 0.290 73 Y C 1.895 177.768 175.900 -0.044 0.000 1.137 73 Y CA 2.326 60.398 58.100 -0.048 0.000 1.163 73 Y CB 0.407 38.833 38.460 -0.057 0.000 0.988 73 Y HN 1.027 nan 8.280 nan 0.000 0.518 74 G N -1.727 107.146 108.800 0.123 0.000 4.990 74 G HA2 0.041 4.001 3.960 0.001 0.000 0.221 74 G HA3 0.041 4.001 3.960 0.001 0.000 0.221 74 G C -0.751 174.184 174.900 0.058 0.000 0.986 74 G CA -0.299 44.842 45.100 0.068 0.000 1.002 74 G HN 0.376 nan 8.290 nan 0.000 0.531 75 N N -0.623 118.109 118.700 0.053 0.000 2.416 75 N HA 0.506 5.247 4.740 0.001 0.000 0.265 75 N C 0.799 176.330 175.510 0.035 0.000 1.195 75 N CA 0.845 53.921 53.050 0.042 0.000 0.943 75 N CB 0.076 38.586 38.487 0.037 0.000 1.115 75 N HN 1.015 nan 8.380 nan 0.000 0.481 76 N N 0.490 119.214 118.700 0.039 0.000 2.218 76 N HA 0.557 5.298 4.740 0.001 0.000 0.224 76 N C 1.427 176.961 175.510 0.040 0.000 1.248 76 N CA 1.045 54.118 53.050 0.039 0.000 0.875 76 N CB -0.389 38.125 38.487 0.045 0.000 1.165 76 N HN 2.228 nan 8.380 nan 0.000 0.485 77 I N -0.517 120.078 120.570 0.041 0.000 6.835 77 I HA 0.041 4.211 4.170 0.001 0.000 0.126 77 I C 0.766 176.915 176.117 0.053 0.000 1.824 77 I CA 0.294 61.618 61.300 0.040 0.000 2.065 77 I CB -2.991 35.027 38.000 0.031 0.000 3.539 77 I HN 1.498 nan 8.210 nan 0.000 0.178 78 I N 3.036 123.646 120.570 0.067 0.000 2.421 78 I HA 0.989 5.159 4.170 0.001 0.000 0.291 78 I C 1.545 177.731 176.117 0.115 0.000 1.089 78 I CA 0.845 62.203 61.300 0.096 0.000 1.354 78 I CB -0.374 37.680 38.000 0.090 0.000 1.413 78 I HN 3.034 nan 8.210 nan 0.000 0.513 79 T N 3.085 117.705 114.554 0.110 0.000 0.541 79 T HA 0.491 4.841 4.350 0.001 0.000 0.774 79 T C 0.658 175.385 174.700 0.045 0.000 0.992 79 T CA 0.385 62.530 62.100 0.075 0.000 4.077 79 T CB -1.378 67.539 68.868 0.082 0.000 2.303 79 T HN 3.033 nan 8.240 nan 0.000 0.398 80 G N -0.213 108.603 108.800 0.026 0.000 2.719 80 G HA2 0.888 4.848 3.960 0.001 0.000 0.284 80 G HA3 0.888 4.848 3.960 0.001 0.000 0.284 80 G C 0.214 175.121 174.900 0.011 0.000 1.488 80 G CA 1.520 46.630 45.100 0.018 0.000 1.139 80 G HN 2.823 nan 8.290 nan 0.000 0.552 81 A N 0.558 123.384 122.820 0.010 0.000 1.745 81 A HA 0.426 4.746 4.320 0.001 0.000 0.374 81 A C 1.344 178.932 177.584 0.007 0.000 0.861 81 A CA 0.812 52.853 52.037 0.007 0.000 0.509 81 A CB -1.686 17.317 19.000 0.005 0.000 2.176 81 A HN 2.906 nan 8.150 nan 0.000 0.304 82 V N 1.060 120.980 119.914 0.011 0.000 4.868 82 V HA 0.451 4.571 4.120 0.001 0.000 0.274 82 V C 1.480 177.579 176.094 0.009 0.000 0.450 82 V CA 2.876 65.183 62.300 0.012 0.000 0.773 82 V CB -2.952 28.875 31.823 0.007 0.000 0.704 82 V HN 2.938 nan 8.190 nan 0.000 1.326 83 V N -4.750 115.173 119.914 0.015 0.000 3.775 83 V HA 0.378 4.499 4.120 0.001 0.000 0.537 83 V C -0.193 175.889 176.094 -0.021 0.000 0.682 83 V CA 1.315 63.622 62.300 0.011 0.000 2.100 83 V CB -1.302 30.530 31.823 0.016 0.000 2.498 83 V HN 2.384 nan 8.190 nan 0.000 0.519 84 P HA 0.888 nan 4.420 nan 0.000 0.276 84 P C 0.528 177.770 177.300 -0.095 0.000 1.230 84 P CA 2.056 65.093 63.100 -0.105 0.000 0.776 84 P CB 1.108 32.666 31.700 -0.236 0.000 0.888 85 S N -0.113 115.546 115.700 -0.068 0.000 2.786 85 S HA 0.522 4.992 4.470 0.001 0.000 0.269 85 S C 1.382 175.956 174.600 -0.043 0.000 1.040 85 S CA 1.118 59.286 58.200 -0.053 0.000 1.099 85 S CB -0.450 62.730 63.200 -0.033 0.000 0.936 85 S HN 0.902 nan 8.310 nan 0.000 0.450 86 S N 1.050 116.728 115.700 -0.035 0.000 2.474 86 S HA 0.683 5.154 4.470 0.001 0.000 0.276 86 S C 0.064 174.646 174.600 -0.030 0.000 1.227 86 S CA 0.429 58.614 58.200 -0.027 0.000 1.050 86 S CB -0.565 62.624 63.200 -0.018 0.000 0.939 86 S HN 1.474 nan 8.310 nan 0.000 0.490 93 F N -0.311 119.605 119.950 -0.057 0.000 2.197 93 F HA 0.039 4.566 4.527 0.001 0.000 0.364 93 F C -0.119 175.527 175.800 -0.257 0.000 1.124 93 F CA 1.799 59.763 58.000 -0.059 0.000 1.235 93 F CB -3.143 35.901 39.000 0.073 0.000 1.829 93 F HN 0.732 nan 8.300 nan 0.000 0.763 94 Y N -0.031 120.051 120.300 -0.362 0.000 2.531 94 Y HA 0.785 5.336 4.550 0.001 0.000 0.096 94 Y C -0.026 175.395 175.900 -0.798 0.000 0.947 94 Y CA 1.055 58.857 58.100 -0.497 0.000 1.822 94 Y CB -0.154 38.121 38.460 -0.307 0.000 1.139 94 Y HN 1.067 nan 8.280 nan 0.000 0.205 95 P HA 0.448 nan 4.420 nan 0.000 0.225 95 P C 0.041 177.009 177.300 -0.554 0.000 1.156 95 P CA 2.572 65.381 63.100 -0.485 0.000 0.787 95 P CB -0.598 30.968 31.700 -0.222 0.000 0.802 96 I N -2.454 117.860 120.570 -0.426 0.000 2.460 96 I HA 0.591 4.761 4.170 0.001 0.000 0.277 96 I C 0.976 176.992 176.117 -0.169 0.000 1.057 96 I CA -1.223 59.921 61.300 -0.260 0.000 1.179 96 I CB -1.103 36.837 38.000 -0.100 0.000 1.329 96 I HN 0.339 nan 8.210 nan 0.000 0.478 97 W N 2.992 124.294 121.300 0.003 0.000 2.355 97 W HA 0.196 4.856 4.660 0.001 0.000 0.309 97 W C 1.801 178.321 176.519 0.001 0.000 1.206 97 W CA 2.922 60.265 57.345 -0.003 0.000 1.284 97 W CB -0.272 29.186 29.460 -0.003 0.000 1.145 97 W HN 1.124 nan 8.180 nan 0.000 0.502 98 E N -0.650 119.691 120.200 0.234 0.000 3.180 98 E HA -0.245 4.106 4.350 0.001 0.000 0.321 98 E C 1.240 177.913 176.600 0.122 0.000 1.452 98 E CA 2.222 58.703 56.400 0.135 0.000 1.710 98 E CB -2.024 27.731 29.700 0.092 0.000 1.867 98 E HN 1.368 nan 8.360 nan 0.000 0.513 99 A N -2.135 120.735 122.820 0.085 0.000 5.065 99 A HA 0.045 4.365 4.320 0.001 0.000 0.353 99 A C 2.146 179.757 177.584 0.044 0.000 1.666 99 A CA 4.454 56.526 52.037 0.059 0.000 0.694 99 A CB -1.957 17.078 19.000 0.058 0.000 1.495 99 A HN 2.805 nan 8.150 nan 0.000 0.410 100 A N -3.490 119.352 122.820 0.036 0.000 1.949 100 A HA 0.857 5.177 4.320 0.001 0.000 0.200 100 A C 1.900 179.499 177.584 0.024 0.000 2.254 100 A CA 2.505 54.554 52.037 0.020 0.000 1.206 100 A CB -0.561 18.439 19.000 -0.000 0.000 1.110 100 A HN 2.763 nan 8.150 nan 0.000 0.628 101 S N -2.929 112.770 115.700 -0.002 0.000 7.068 101 S HA 0.443 4.914 4.470 0.001 0.000 0.060 101 S C 1.569 176.115 174.600 -0.091 0.000 1.412 101 S CA 1.228 59.420 58.200 -0.013 0.000 1.149 101 S CB -0.996 62.205 63.200 0.000 0.000 1.418 101 S HN 1.635 nan 8.310 nan 0.000 0.543 102 L N 1.682 122.855 121.223 -0.083 0.000 2.446 102 L HA 0.605 4.946 4.340 0.001 0.000 0.219 102 L C 2.047 178.844 176.870 -0.122 0.000 1.116 102 L CA 2.078 56.848 54.840 -0.117 0.000 0.844 102 L CB -1.909 40.103 42.059 -0.079 0.000 0.970 102 L HN 0.924 nan 8.230 nan 0.000 0.457 103 D N -0.601 119.746 120.400 -0.090 0.000 2.355 103 D HA 0.265 4.905 4.640 0.001 0.000 0.218 103 D C 1.906 178.152 176.300 -0.090 0.000 1.004 103 D CA 1.462 55.415 54.000 -0.078 0.000 0.880 103 D CB -0.104 40.666 40.800 -0.049 0.000 0.911 103 D HN 0.779 nan 8.370 nan 0.000 0.528 104 E N -1.455 118.673 120.200 -0.120 0.000 2.127 104 E HA 0.245 4.596 4.350 0.001 0.000 0.191 104 E C 2.180 178.641 176.600 -0.232 0.000 0.964 104 E CA 0.848 57.176 56.400 -0.121 0.000 0.832 104 E CB -1.430 28.234 29.700 -0.061 0.000 0.790 104 E HN 1.132 nan 8.360 nan 0.000 0.465 105 W N 0.060 121.115 121.300 -0.408 0.000 2.937 105 W HA 0.540 5.201 4.660 0.001 0.000 0.245 105 W C 2.055 178.396 176.519 -0.296 0.000 1.306 105 W CA 1.303 58.317 57.345 -0.551 0.000 1.470 105 W CB -0.678 28.323 29.460 -0.766 0.000 1.132 105 W HN 0.739 nan 8.180 nan 0.000 0.675 106 L N -0.989 120.114 121.223 -0.199 0.000 2.928 106 L HA 0.634 4.974 4.340 0.001 0.000 0.246 106 L C 0.195 177.008 176.870 -0.095 0.000 1.239 106 L CA 0.146 54.907 54.840 -0.132 0.000 1.035 106 L CB -1.888 40.104 42.059 -0.111 0.000 1.360 106 L HN 0.940 nan 8.230 nan 0.000 0.529 107 Y N -2.222 118.025 120.300 -0.090 0.000 2.421 107 Y HA 0.692 5.242 4.550 0.001 0.000 0.339 107 Y C 0.802 176.682 175.900 -0.032 0.000 0.996 107 Y CA -0.410 57.657 58.100 -0.055 0.000 1.046 107 Y CB 0.049 38.482 38.460 -0.045 0.000 1.226 107 Y HN 1.734 nan 8.280 nan 0.000 0.445 108 N N -0.239 118.448 118.700 -0.020 0.000 1.191 108 N HA -0.112 4.628 4.740 0.001 0.000 0.120 108 N C 2.143 177.661 175.510 0.014 0.000 0.826 108 N CA 2.676 55.728 53.050 0.004 0.000 0.876 108 N CB -1.442 37.058 38.487 0.022 0.000 1.050 108 N HN 2.408 nan 8.380 nan 0.000 0.603 109 G N -1.129 107.701 108.800 0.051 0.000 2.446 109 G HA2 0.365 4.325 3.960 0.001 0.000 0.217 109 G HA3 0.365 4.325 3.960 0.001 0.000 0.217 109 G C 2.243 177.204 174.900 0.102 0.000 1.168 109 G CA 3.119 48.280 45.100 0.100 0.000 0.771 109 G HN 2.765 nan 8.290 nan 0.000 0.551 110 G N 0.040 108.880 108.800 0.068 0.000 2.620 110 G HA2 -0.212 3.749 3.960 0.001 0.000 0.315 110 G HA3 -0.212 3.749 3.960 0.001 0.000 0.315 110 G C 0.059 175.018 174.900 0.098 0.000 1.179 110 G CA 1.683 46.777 45.100 -0.011 0.000 0.971 110 G HN 0.974 nan 8.290 nan 0.000 0.544 111 P HA 0.243 nan 4.420 nan 0.000 0.229 111 P C 1.717 179.152 177.300 0.224 0.000 1.160 111 P CA 2.042 65.263 63.100 0.201 0.000 0.777 111 P CB -0.236 31.525 31.700 0.102 0.000 0.814 112 Y N -0.447 119.905 120.300 0.086 0.000 2.439 112 Y HA -0.078 4.473 4.550 0.001 0.000 0.292 112 Y C 2.945 178.874 175.900 0.048 0.000 1.130 112 Y CA 2.107 60.255 58.100 0.081 0.000 1.254 112 Y CB -0.384 38.129 38.460 0.088 0.000 1.000 112 Y HN 0.262 nan 8.280 nan 0.000 0.554 113 Q N -0.091 119.764 119.800 0.091 0.000 2.224 113 Q HA -0.052 4.288 4.340 0.001 0.000 0.203 113 Q C 2.119 178.013 176.000 -0.177 0.000 0.970 113 Q CA 1.913 57.696 55.803 -0.034 0.000 0.865 113 Q CB -1.404 27.341 28.738 0.012 0.000 0.922 113 Q HN 0.625 nan 8.270 nan 0.000 0.445 114 L N -0.830 120.298 121.223 -0.159 0.000 2.298 114 L HA 0.492 4.832 4.340 0.001 0.000 0.209 114 L C 2.977 179.435 176.870 -0.687 0.000 1.084 114 L CA 1.591 56.225 54.840 -0.343 0.000 0.816 114 L CB -1.437 40.532 42.059 -0.151 0.000 0.967 114 L HN 0.814 nan 8.230 nan 0.000 0.460 115 I N -0.477 119.814 120.570 -0.466 0.000 2.353 115 I HA 0.116 4.287 4.170 0.001 0.000 0.248 115 I C 2.776 178.361 176.117 -0.886 0.000 1.119 115 I CA 2.326 63.286 61.300 -0.566 0.000 1.417 115 I CB -1.392 36.435 38.000 -0.288 0.000 1.078 115 I HN 0.654 nan 8.210 nan 0.000 0.421 116 I N -0.244 119.897 120.570 -0.716 0.000 2.394 116 I HA 0.071 4.241 4.170 0.001 0.000 0.251 116 I C 2.865 178.840 176.117 -0.237 0.000 1.136 116 I CA 2.487 63.535 61.300 -0.420 0.000 1.425 116 I CB -2.137 35.672 38.000 -0.318 0.000 1.079 116 I HN 0.872 nan 8.210 nan 0.000 0.425 117 F N -0.511 119.239 119.950 -0.333 0.000 2.407 117 F HA -0.091 4.436 4.527 0.001 0.000 0.299 117 F C 2.313 178.041 175.800 -0.120 0.000 1.097 117 F CA 1.746 59.627 58.000 -0.199 0.000 1.422 117 F CB -1.300 37.565 39.000 -0.225 0.000 1.067 117 F HN 0.641 nan 8.300 nan 0.000 0.539 118 H N -1.882 117.056 119.070 -0.220 0.000 2.512 118 H HA 0.104 4.660 4.556 0.001 0.000 0.279 118 H C 2.048 177.309 175.328 -0.113 0.000 0.999 118 H CA 0.296 56.224 56.048 -0.200 0.000 1.283 118 H CB -0.831 28.760 29.762 -0.285 0.000 1.421 118 H HN 0.614 nan 8.280 nan 0.000 0.554 119 F N 0.434 120.426 119.950 0.070 0.000 2.259 119 F HA -0.075 4.453 4.527 0.000 0.000 0.298 119 F C 2.845 178.652 175.800 0.012 0.000 1.088 119 F CA 0.561 58.579 58.000 0.029 0.000 1.358 119 F CB -0.099 38.912 39.000 0.019 0.000 1.040 119 F HN 0.145 nan 8.300 nan 0.000 0.505 120 L N -0.127 121.208 121.223 0.187 0.000 2.341 120 L HA 0.159 4.499 4.340 0.001 0.000 0.214 120 L C 2.416 179.334 176.870 0.079 0.000 1.115 120 L CA 1.600 56.503 54.840 0.106 0.000 0.820 120 L CB -1.915 40.191 42.059 0.079 0.000 0.944 120 L HN 0.236 nan 8.230 nan 0.000 0.452 121 L N -1.379 119.897 121.223 0.088 0.000 2.354 121 L HA 0.531 4.871 4.340 0.001 0.000 0.212 121 L C 2.635 179.536 176.870 0.052 0.000 1.091 121 L CA 1.729 56.606 54.840 0.062 0.000 0.828 121 L CB -1.566 40.534 42.059 0.067 0.000 0.973 121 L HN 0.476 nan 8.230 nan 0.000 0.461 122 G N -1.145 107.703 108.800 0.080 0.000 2.426 122 G HA2 0.148 4.109 3.960 0.001 0.000 0.214 122 G HA3 0.148 4.109 3.960 0.001 0.000 0.214 122 G C 1.849 176.785 174.900 0.059 0.000 1.156 122 G CA 1.241 46.382 45.100 0.068 0.000 0.802 122 G HN 0.801 nan 8.290 nan 0.000 0.534 123 A N 0.869 123.731 122.820 0.070 0.000 1.968 123 A HA 0.328 4.648 4.320 0.001 0.000 0.217 123 A C 2.759 180.351 177.584 0.013 0.000 1.169 123 A CA 2.181 54.234 52.037 0.027 0.000 0.638 123 A CB -0.751 18.254 19.000 0.008 0.000 0.812 123 A HN 0.569 nan 8.150 nan 0.000 0.446 124 S N -0.807 114.907 115.700 0.023 0.000 2.428 124 S HA 0.014 4.485 4.470 0.001 0.000 0.230 124 S C 2.030 176.638 174.600 0.014 0.000 1.014 124 S CA 1.608 59.817 58.200 0.016 0.000 0.957 124 S CB -1.151 62.062 63.200 0.021 0.000 0.784 124 S HN 0.985 nan 8.310 nan 0.000 0.499 125 C N -0.108 119.201 119.300 0.015 0.000 2.533 125 C HA 0.491 4.951 4.460 0.001 0.000 0.272 125 C C 2.560 177.553 174.990 0.006 0.000 1.371 125 C CA 1.225 60.248 59.018 0.009 0.000 1.758 125 C CB -1.475 26.268 27.740 0.006 0.000 1.972 125 C HN 0.751 nan 8.230 nan 0.000 0.522 126 Y N -1.167 119.137 120.300 0.007 0.000 2.561 126 Y HA 0.325 4.875 4.550 0.001 0.000 0.291 126 Y C 2.518 178.419 175.900 0.001 0.000 1.141 126 Y CA 2.460 60.562 58.100 0.002 0.000 1.303 126 Y CB -0.828 37.632 38.460 0.000 0.000 1.015 126 Y HN 0.655 nan 8.280 nan 0.000 0.547 127 M N -0.685 118.917 119.600 0.003 0.000 2.538 127 M HA 0.415 4.896 4.480 0.001 0.000 0.259 127 M C 2.296 178.604 176.300 0.013 0.000 1.217 127 M CA 1.240 56.545 55.300 0.008 0.000 1.131 127 M CB -0.997 31.606 32.600 0.006 0.000 1.382 127 M HN 0.471 nan 8.290 nan 0.000 0.520 128 G N 0.324 109.130 108.800 0.010 0.000 2.408 128 G HA2 0.177 4.137 3.960 0.001 0.000 0.215 128 G HA3 0.177 4.137 3.960 0.001 0.000 0.215 128 G C 1.651 176.554 174.900 0.005 0.000 1.156 128 G CA 1.528 46.633 45.100 0.010 0.000 0.793 128 G HN 0.856 nan 8.290 nan 0.000 0.535 129 R N -0.560 119.942 120.500 0.003 0.000 2.200 129 R HA 0.370 4.710 4.340 0.001 0.000 0.208 129 R C 2.521 178.821 176.300 -0.000 0.000 1.033 129 R CA 1.713 57.813 56.100 -0.001 0.000 1.000 129 R CB -1.382 28.916 30.300 -0.002 0.000 0.906 129 R HN 0.577 nan 8.270 nan 0.000 0.462 130 Q N -1.849 117.953 119.800 0.003 0.000 2.187 130 Q HA -0.006 4.334 4.340 0.001 0.000 0.199 130 Q C 2.441 178.444 176.000 0.005 0.000 0.957 130 Q CA 1.699 57.505 55.803 0.005 0.000 0.857 130 Q CB -1.229 27.514 28.738 0.008 0.000 0.929 130 Q HN 1.196 nan 8.270 nan 0.000 0.453 131 W N 0.109 121.414 121.300 0.007 0.000 3.256 131 W HA 0.535 5.196 4.660 0.001 0.000 0.269 131 W C 1.813 178.325 176.519 -0.012 0.000 1.310 131 W CA 1.337 58.684 57.345 0.003 0.000 1.673 131 W CB -0.205 29.265 29.460 0.016 0.000 1.115 131 W HN 0.770 nan 8.180 nan 0.000 0.686 132 E N -0.847 119.347 120.200 -0.010 0.000 2.372 132 E HA 0.407 4.757 4.350 0.001 0.000 0.201 132 E C 1.653 178.243 176.600 -0.016 0.000 0.938 132 E CA 0.789 57.181 56.400 -0.015 0.000 0.944 132 E CB -0.390 29.304 29.700 -0.010 0.000 0.937 132 E HN 1.059 nan 8.360 nan 0.000 0.495 133 L N -0.177 121.039 121.223 -0.012 0.000 2.912 133 L HA 0.872 5.212 4.340 0.001 0.000 0.240 133 L C 1.861 178.723 176.870 -0.013 0.000 1.262 133 L CA 1.211 56.044 54.840 -0.012 0.000 1.058 133 L CB -0.774 41.280 42.059 -0.008 0.000 1.383 133 L HN 0.631 nan 8.230 nan 0.000 0.512 134 S N -2.984 112.704 115.700 -0.020 0.000 3.084 134 S HA 0.340 4.810 4.470 0.001 0.000 0.262 134 S C 1.847 176.424 174.600 -0.038 0.000 1.081 134 S CA 1.392 59.578 58.200 -0.023 0.000 0.855 134 S CB -0.170 63.020 63.200 -0.018 0.000 0.857 134 S HN 1.295 nan 8.310 nan 0.000 0.449 135 Y N 0.974 121.245 120.300 -0.048 0.000 2.397 135 Y HA 0.466 5.016 4.550 0.001 0.000 0.292 135 Y C 2.822 178.692 175.900 -0.051 0.000 1.115 135 Y CA 1.659 59.720 58.100 -0.066 0.000 1.208 135 Y CB -1.068 37.342 38.460 -0.084 0.000 1.046 135 Y HN 0.627 nan 8.280 nan 0.000 0.552 136 R N 0.190 120.667 120.500 -0.038 0.000 2.210 136 R HA 0.350 4.690 4.340 0.001 0.000 0.203 136 R C 2.259 178.543 176.300 -0.026 0.000 1.010 136 R CA 1.268 57.350 56.100 -0.031 0.000 1.008 136 R CB -1.563 28.721 30.300 -0.025 0.000 0.923 136 R HN 1.134 nan 8.270 nan 0.000 0.469 137 L N -1.393 119.815 121.223 -0.024 0.000 2.270 137 L HA 0.600 4.940 4.340 0.001 0.000 0.210 137 L C 1.935 178.793 176.870 -0.021 0.000 1.104 137 L CA 1.820 56.648 54.840 -0.020 0.000 0.804 137 L CB -0.694 41.355 42.059 -0.016 0.000 0.937 137 L HN 0.738 nan 8.230 nan 0.000 0.450 138 G N -3.105 105.679 108.800 -0.027 0.000 3.420 138 G HA2 0.605 4.565 3.960 0.001 0.000 0.142 138 G HA3 0.605 4.565 3.960 0.001 0.000 0.142 138 G C -0.064 174.814 174.900 -0.037 0.000 1.209 138 G CA 0.847 45.930 45.100 -0.027 0.000 1.454 138 G HN 1.628 nan 8.290 nan 0.000 0.728 139 M N 0.026 119.602 119.600 -0.039 0.000 2.380 139 M HA 0.898 5.378 4.480 0.001 0.000 0.202 139 M C -0.469 175.799 176.300 -0.053 0.000 0.975 139 M CA 0.565 55.833 55.300 -0.054 0.000 0.971 139 M CB 0.469 33.040 32.600 -0.048 0.000 2.685 139 M HN 1.876 nan 8.290 nan 0.000 0.431 140 R N 1.456 121.915 120.500 -0.069 0.000 3.033 140 R HA 0.833 5.173 4.340 0.001 0.000 0.236 140 R C -2.284 173.963 176.300 -0.088 0.000 1.774 140 R CA -0.050 56.018 56.100 -0.053 0.000 1.401 140 R CB -0.958 29.329 30.300 -0.021 0.000 1.539 140 R HN 1.688 nan 8.270 nan 0.000 0.618 141 P HA 0.607 nan 4.420 nan 0.000 0.274 141 P C 0.226 177.424 177.300 -0.170 0.000 1.231 141 P CA 0.544 63.417 63.100 -0.379 0.000 0.790 141 P CB 0.114 31.355 31.700 -0.765 0.000 0.951 142 W N -1.437 119.866 121.300 0.005 0.000 2.518 142 W HA -0.324 4.336 4.660 0.000 0.000 0.196 142 W C 1.834 178.358 176.519 0.007 0.000 0.669 142 W CA 1.810 59.160 57.345 0.009 0.000 0.790 142 W CB -2.195 27.271 29.460 0.011 0.000 1.078 142 W HN 1.467 nan 8.180 nan 0.000 0.399 143 I N -2.472 118.277 120.570 0.299 0.000 4.586 143 I HA -0.315 3.855 4.170 0.001 0.000 0.195 143 I C 1.554 177.732 176.117 0.102 0.000 1.533 143 I CA 4.254 65.646 61.300 0.154 0.000 1.320 143 I CB -2.653 35.419 38.000 0.120 0.000 2.386 143 I HN 1.612 nan 8.210 nan 0.000 0.279 144 C N -1.672 117.697 119.300 0.115 0.000 2.735 144 C HA 0.785 5.245 4.460 0.001 0.000 0.444 144 C C 2.702 177.734 174.990 0.069 0.000 1.331 144 C CA 1.614 60.675 59.018 0.072 0.000 2.225 144 C CB -0.345 27.431 27.740 0.060 0.000 2.917 144 C HN 2.126 nan 8.230 nan 0.000 0.567 145 V N 0.405 120.385 119.914 0.110 0.000 2.719 145 V HA 0.348 4.469 4.120 0.001 0.000 0.252 145 V C 2.504 178.648 176.094 0.082 0.000 1.065 145 V CA 2.749 65.109 62.300 0.100 0.000 1.086 145 V CB -0.747 31.163 31.823 0.145 0.000 0.700 145 V HN 0.620 nan 8.190 nan 0.000 0.467 146 A N -1.200 121.671 122.820 0.084 0.000 1.911 146 A HA 0.153 4.473 4.320 0.001 0.000 0.212 146 A C 2.354 179.948 177.584 0.018 0.000 1.189 146 A CA 1.727 53.807 52.037 0.071 0.000 0.639 146 A CB -0.812 18.226 19.000 0.063 0.000 0.839 146 A HN 1.275 nan 8.150 nan 0.000 0.449 147 Y N -1.229 119.081 120.300 0.017 0.000 2.352 147 Y HA 0.170 4.721 4.550 0.001 0.000 0.292 147 Y C 2.961 178.834 175.900 -0.045 0.000 1.136 147 Y CA 1.893 59.987 58.100 -0.011 0.000 1.227 147 Y CB -1.213 37.249 38.460 0.004 0.000 0.991 147 Y HN 0.582 nan 8.280 nan 0.000 0.545 148 S N 0.325 116.001 115.700 -0.039 0.000 2.489 148 S HA 0.264 4.734 4.470 0.001 0.000 0.228 148 S C 2.270 176.795 174.600 -0.126 0.000 0.995 148 S CA 1.003 59.164 58.200 -0.065 0.000 0.934 148 S CB -0.563 62.616 63.200 -0.034 0.000 0.771 148 S HN 1.085 nan 8.310 nan 0.000 0.522 149 A N 1.587 124.309 122.820 -0.163 0.000 2.019 149 A HA 0.306 4.626 4.320 0.001 0.000 0.219 149 A C 0.906 178.267 177.584 -0.372 0.000 1.164 149 A CA 1.648 53.475 52.037 -0.351 0.000 0.644 149 A CB -1.323 17.374 19.000 -0.504 0.000 0.805 149 A HN 0.462 nan 8.150 nan 0.000 0.449 150 P HA 0.369 nan 4.420 nan 0.000 0.224 150 P C 1.782 178.966 177.300 -0.193 0.000 1.159 150 P CA 1.886 64.862 63.100 -0.207 0.000 0.824 150 P CB -0.240 31.376 31.700 -0.140 0.000 0.833 151 L N -0.940 120.182 121.223 -0.169 0.000 2.095 151 L HA 0.553 4.893 4.340 0.001 0.000 0.204 151 L C 2.609 179.357 176.870 -0.203 0.000 1.080 151 L CA 2.248 56.990 54.840 -0.164 0.000 0.759 151 L CB -1.775 40.214 42.059 -0.116 0.000 0.914 151 L HN 0.316 nan 8.230 nan 0.000 0.439 152 A N -0.740 121.965 122.820 -0.191 0.000 2.302 152 A HA 0.465 4.786 4.320 0.001 0.000 0.219 152 A C 2.452 179.889 177.584 -0.246 0.000 1.243 152 A CA 1.191 53.111 52.037 -0.195 0.000 0.856 152 A CB -0.899 18.019 19.000 -0.137 0.000 0.893 152 A HN 0.984 nan 8.150 nan 0.000 0.491 153 S N -0.232 115.299 115.700 -0.282 0.000 2.425 153 S HA 0.385 4.855 4.470 0.001 0.000 0.225 153 S C 1.909 176.300 174.600 -0.350 0.000 1.024 153 S CA 1.172 59.194 58.200 -0.296 0.000 0.951 153 S CB -0.138 62.889 63.200 -0.289 0.000 0.796 153 S HN 0.844 nan 8.310 nan 0.000 0.498 154 A N -0.476 122.078 122.820 -0.442 0.000 2.085 154 A HA 0.531 4.851 4.320 0.001 0.000 0.208 154 A C 2.152 179.025 177.584 -1.185 0.000 1.191 154 A CA 1.043 52.650 52.037 -0.717 0.000 0.799 154 A CB -0.811 17.858 19.000 -0.551 0.000 0.877 154 A HN 0.842 nan 8.150 nan 0.000 0.473 155 F N -0.520 118.996 119.950 -0.724 0.000 2.163 155 F HA 0.302 4.830 4.527 0.001 0.000 0.297 155 F C 2.608 178.188 175.800 -0.367 0.000 1.094 155 F CA 1.493 59.145 58.000 -0.580 0.000 1.290 155 F CB -1.136 37.672 39.000 -0.320 0.000 1.017 155 F HN 0.417 nan 8.300 nan 0.000 0.483 156 A N -0.016 122.640 122.820 -0.274 0.000 2.169 156 A HA 0.373 4.693 4.320 0.001 0.000 0.212 156 A C 2.209 179.729 177.584 -0.106 0.000 1.153 156 A CA 1.263 53.224 52.037 -0.127 0.000 0.756 156 A CB -1.237 17.705 19.000 -0.096 0.000 0.813 156 A HN 1.268 nan 8.150 nan 0.000 0.471 157 V N -1.798 117.966 119.914 -0.249 0.000 2.719 157 V HA 0.020 4.141 4.120 0.001 0.000 0.252 157 V C 2.162 178.328 176.094 0.120 0.000 1.065 157 V CA 1.620 63.839 62.300 -0.135 0.000 1.086 157 V CB -0.924 30.734 31.823 -0.276 0.000 0.700 157 V HN 0.556 nan 8.190 nan 0.000 0.467 158 F N 0.035 120.008 119.950 0.038 0.000 2.512 158 F HA 0.090 4.617 4.527 0.001 0.000 0.296 158 F C 2.349 178.280 175.800 0.219 0.000 1.110 158 F CA 0.928 59.024 58.000 0.160 0.000 1.446 158 F CB 0.159 39.268 39.000 0.182 0.000 1.092 158 F HN 0.324 nan 8.300 nan 0.000 0.554 159 L N -0.122 121.287 121.223 0.310 0.000 2.357 159 L HA 0.235 4.575 4.340 0.001 0.000 0.211 159 L C 2.498 179.479 176.870 0.185 0.000 1.075 159 L CA 1.315 56.292 54.840 0.229 0.000 0.830 159 L CB -1.767 40.388 42.059 0.159 0.000 0.996 159 L HN 0.144 nan 8.230 nan 0.000 0.467 160 I N -1.880 118.790 120.570 0.167 0.000 2.439 160 I HA -0.145 4.026 4.170 0.001 0.000 0.251 160 I C 2.567 178.797 176.117 0.189 0.000 1.139 160 I CA 2.067 63.451 61.300 0.139 0.000 1.438 160 I CB -1.253 36.808 38.000 0.101 0.000 1.085 160 I HN 0.673 nan 8.210 nan 0.000 0.427 161 Y N 1.468 121.841 120.300 0.122 0.000 2.145 161 Y HA -0.086 4.465 4.550 0.001 0.000 0.286 161 Y C 0.936 176.907 175.900 0.118 0.000 1.145 161 Y CA 2.442 60.621 58.100 0.132 0.000 1.148 161 Y CB -1.476 37.103 38.460 0.198 0.000 0.981 161 Y HN 0.235 nan 8.280 nan 0.000 0.507 162 P HA -0.039 nan 4.420 nan 0.000 0.223 162 P C 1.403 178.692 177.300 -0.020 0.000 1.151 162 P CA 2.481 65.576 63.100 -0.008 0.000 0.787 162 P CB -1.071 30.700 31.700 0.119 0.000 0.788 163 I N -1.686 118.894 120.570 0.017 0.000 3.444 163 I HA 0.449 4.620 4.170 0.001 0.000 0.287 163 I C 2.129 178.239 176.117 -0.012 0.000 1.302 163 I CA 1.790 63.099 61.300 0.016 0.000 1.368 163 I CB -1.043 36.981 38.000 0.041 0.000 1.048 163 I HN 0.260 nan 8.210 nan 0.000 0.487 164 G N -1.717 107.049 108.800 -0.057 0.000 2.906 164 G HA2 0.319 4.280 3.960 0.001 0.000 0.200 164 G HA3 0.319 4.280 3.960 0.001 0.000 0.200 164 G C 1.471 176.307 174.900 -0.107 0.000 1.101 164 G CA 1.591 46.654 45.100 -0.061 0.000 0.760 164 G HN 0.694 nan 8.290 nan 0.000 0.694 165 Q N 0.209 119.872 119.800 -0.228 0.000 1.967 165 Q HA 0.508 4.849 4.340 0.001 0.000 0.196 165 Q C 1.371 177.275 176.000 -0.160 0.000 0.978 165 Q CA 1.268 56.929 55.803 -0.235 0.000 0.833 165 Q CB -0.695 27.773 28.738 -0.450 0.000 0.898 165 Q HN 1.015 nan 8.270 nan 0.000 0.446 166 G N -1.375 107.313 108.800 -0.187 0.000 2.723 166 G HA2 0.532 4.492 3.960 0.001 0.000 0.295 166 G HA3 0.532 4.492 3.960 0.001 0.000 0.295 166 G C 0.344 175.216 174.900 -0.046 0.000 1.464 166 G CA 0.573 45.622 45.100 -0.086 0.000 1.012 166 G HN 0.862 nan 8.290 nan 0.000 0.522 167 S N 0.773 116.467 115.700 -0.010 0.000 2.720 167 S HA 0.412 4.883 4.470 0.001 0.000 0.222 167 S C 1.625 176.255 174.600 0.050 0.000 0.958 167 S CA 0.826 59.042 58.200 0.027 0.000 0.943 167 S CB -0.740 62.479 63.200 0.033 0.000 0.779 167 S HN 1.207 nan 8.310 nan 0.000 0.526 168 F N 0.236 120.211 119.950 0.041 0.000 1.983 168 F HA 0.434 4.962 4.527 0.001 0.000 0.298 168 F C 2.081 177.929 175.800 0.080 0.000 1.323 168 F CA 1.287 59.319 58.000 0.054 0.000 1.169 168 F CB -1.114 37.912 39.000 0.043 0.000 0.950 168 F HN 0.781 nan 8.300 nan 0.000 0.507 169 S N -1.162 114.590 115.700 0.087 0.000 2.725 169 S HA 0.341 4.811 4.470 0.001 0.000 0.196 169 S C -0.242 174.412 174.600 0.091 0.000 0.803 169 S CA 0.451 58.727 58.200 0.125 0.000 1.452 169 S CB -1.172 62.110 63.200 0.137 0.000 1.273 169 S HN 0.727 nan 8.310 nan 0.000 0.575 170 D N 0.168 120.601 120.400 0.056 0.000 2.341 170 D HA 0.607 5.247 4.640 0.001 0.000 0.245 170 D C 1.299 177.585 176.300 -0.024 0.000 1.106 170 D CA 1.813 55.807 54.000 -0.010 0.000 0.905 170 D CB 0.784 41.574 40.800 -0.018 0.000 1.202 170 D HN 0.717 nan 8.370 nan 0.000 0.426 171 G N 1.422 110.095 108.800 -0.212 0.000 2.483 171 G HA2 0.060 4.020 3.960 0.001 0.000 0.196 171 G HA3 0.060 4.020 3.960 0.001 0.000 0.196 171 G C 0.242 174.685 174.900 -0.762 0.000 2.335 171 G CA 0.139 44.964 45.100 -0.458 0.000 1.576 171 G HN 0.898 nan 8.290 nan 0.000 0.499 172 M N 2.185 121.550 119.600 -0.392 0.000 2.108 172 M HA 0.824 5.304 4.480 0.001 0.000 0.347 172 M C -0.738 175.296 176.300 -0.444 0.000 1.326 172 M CA -0.308 54.770 55.300 -0.369 0.000 1.126 172 M CB -0.265 32.191 32.600 -0.240 0.000 1.606 172 M HN 1.396 nan 8.290 nan 0.000 0.462 173 P HA 0.615 nan 4.420 nan 0.000 0.264 173 P C 0.074 177.155 177.300 -0.364 0.000 1.183 173 P CA 0.556 63.487 63.100 -0.282 0.000 0.763 173 P CB -0.187 31.411 31.700 -0.169 0.000 0.807 174 L N 2.596 123.637 121.223 -0.303 0.000 2.490 174 L HA 0.556 4.896 4.340 0.001 0.000 0.274 174 L C 2.013 178.790 176.870 -0.154 0.000 1.201 174 L CA 0.943 55.621 54.840 -0.271 0.000 0.869 174 L CB -1.080 40.904 42.059 -0.124 0.000 1.123 174 L HN 1.531 nan 8.230 nan 0.000 0.484 175 G N 1.018 109.769 108.800 -0.081 0.000 2.336 175 G HA2 0.255 4.216 3.960 0.001 0.000 0.233 175 G HA3 0.255 4.216 3.960 0.001 0.000 0.233 175 G C 1.591 176.454 174.900 -0.062 0.000 1.053 175 G CA 1.243 46.267 45.100 -0.127 0.000 0.625 175 G HN 3.261 nan 8.290 nan 0.000 0.511 176 I N -1.159 119.424 120.570 0.021 0.000 8.192 176 I HA 0.417 4.587 4.170 0.001 0.000 0.126 176 I C 0.401 176.604 176.117 0.143 0.000 1.847 176 I CA 1.907 63.289 61.300 0.138 0.000 2.049 176 I CB -1.541 36.702 38.000 0.405 0.000 3.776 176 I HN 2.646 nan 8.210 nan 0.000 0.173 177 S N 4.012 119.756 115.700 0.072 0.000 2.750 177 S HA 1.038 5.508 4.470 0.001 0.000 0.276 177 S C 1.944 176.588 174.600 0.072 0.000 1.165 177 S CA 0.944 59.192 58.200 0.080 0.000 1.047 177 S CB 1.306 64.538 63.200 0.054 0.000 1.056 177 S HN 3.094 nan 8.310 nan 0.000 0.481 178 G N 1.618 110.443 108.800 0.042 0.000 3.078 178 G HA2 0.178 4.138 3.960 0.001 0.000 0.227 178 G HA3 0.178 4.138 3.960 0.001 0.000 0.227 178 G C 1.429 176.129 174.900 -0.333 0.000 1.306 178 G CA 1.716 46.773 45.100 -0.072 0.000 0.841 178 G HN 2.848 nan 8.290 nan 0.000 0.530 179 T N -1.670 112.790 114.554 -0.155 0.000 3.574 179 T HA 0.008 4.358 4.350 0.001 0.000 0.406 179 T C 0.637 175.178 174.700 -0.266 0.000 0.765 179 T CA 1.599 63.613 62.100 -0.144 0.000 2.116 179 T CB -2.115 66.699 68.868 -0.089 0.000 1.724 179 T HN 1.358 nan 8.240 nan 0.000 0.738 180 F N 0.045 120.002 119.950 0.012 0.000 2.721 180 F HA 0.214 4.742 4.527 0.001 0.000 0.301 180 F C 2.384 178.176 175.800 -0.012 0.000 1.096 180 F CA 0.789 58.793 58.000 0.008 0.000 1.308 180 F CB 0.128 39.127 39.000 -0.001 0.000 1.086 180 F HN 0.655 nan 8.300 nan 0.000 0.587 181 N N 0.042 118.790 118.700 0.080 0.000 2.333 181 N HA -0.098 4.643 4.740 0.001 0.000 0.178 181 N C 1.371 176.833 175.510 -0.080 0.000 1.018 181 N CA 0.552 53.572 53.050 -0.050 0.000 0.882 181 N CB -1.092 37.285 38.487 -0.183 0.000 0.984 181 N HN 0.333 nan 8.380 nan 0.000 0.434 182 F N 0.093 119.989 119.950 -0.089 0.000 2.769 182 F HA 0.284 4.811 4.527 0.000 0.000 0.304 182 F C 2.315 178.072 175.800 -0.072 0.000 1.158 182 F CA 0.646 58.580 58.000 -0.110 0.000 1.398 182 F CB 0.373 39.285 39.000 -0.146 0.000 1.094 182 F HN 0.411 nan 8.300 nan 0.000 0.553 183 M N -1.005 118.680 119.600 0.142 0.000 2.279 183 M HA 0.353 4.833 4.480 0.001 0.000 0.306 183 M C 1.185 177.533 176.300 0.081 0.000 0.965 183 M CA 1.045 56.403 55.300 0.098 0.000 1.038 183 M CB -1.205 31.455 32.600 0.099 0.000 1.636 183 M HN 0.071 nan 8.290 nan 0.000 0.574 184 I N -1.638 118.971 120.570 0.066 0.000 3.812 184 I HA 0.679 4.849 4.170 0.001 0.000 0.292 184 I C 2.247 178.373 176.117 0.014 0.000 1.206 184 I CA 1.413 62.736 61.300 0.038 0.000 1.370 184 I CB -0.729 37.291 38.000 0.034 0.000 1.328 184 I HN 0.505 nan 8.210 nan 0.000 0.453 185 V N -0.146 119.760 119.914 -0.013 0.000 2.379 185 V HA 0.040 4.161 4.120 0.001 0.000 0.245 185 V C 2.762 178.860 176.094 0.007 0.000 1.044 185 V CA 2.945 65.222 62.300 -0.038 0.000 1.036 185 V CB -1.503 30.241 31.823 -0.132 0.000 0.664 185 V HN 1.168 nan 8.190 nan 0.000 0.453 186 F N 0.267 120.248 119.950 0.052 0.000 2.805 186 F HA 0.341 4.869 4.527 0.001 0.000 0.301 186 F C 2.128 177.952 175.800 0.039 0.000 1.196 186 F CA 2.324 60.364 58.000 0.066 0.000 1.439 186 F CB -1.490 37.586 39.000 0.127 0.000 1.117 186 F HN 0.656 nan 8.300 nan 0.000 0.581 187 Q N -0.560 119.259 119.800 0.033 0.000 2.390 187 Q HA 0.454 4.794 4.340 0.001 0.000 0.216 187 Q C 2.450 178.464 176.000 0.023 0.000 0.916 187 Q CA 1.319 57.136 55.803 0.025 0.000 0.911 187 Q CB -0.807 27.944 28.738 0.022 0.000 1.035 187 Q HN 0.920 nan 8.270 nan 0.000 0.541 188 A N 1.363 124.197 122.820 0.024 0.000 1.831 188 A HA 0.238 4.558 4.320 0.001 0.000 0.213 188 A C 1.311 178.915 177.584 0.033 0.000 1.223 188 A CA 1.538 53.591 52.037 0.026 0.000 0.604 188 A CB -0.084 18.929 19.000 0.023 0.000 0.878 188 A HN 0.740 nan 8.150 nan 0.000 0.450 189 E N -5.141 115.084 120.200 0.041 0.000 2.442 189 E HA 0.493 4.844 4.350 0.001 0.000 0.261 189 E C 0.157 176.809 176.600 0.087 0.000 0.935 189 E CA -0.247 56.188 56.400 0.059 0.000 0.856 189 E CB 0.225 29.960 29.700 0.058 0.000 1.571 189 E HN 1.348 nan 8.360 nan 0.000 0.431 190 H N -2.118 117.032 119.070 0.132 0.000 3.047 190 H HA -0.253 4.304 4.556 0.001 0.000 0.263 190 H C 0.441 175.861 175.328 0.154 0.000 1.168 190 H CA 2.815 59.007 56.048 0.240 0.000 1.152 190 H CB -2.812 27.164 29.762 0.357 0.000 1.278 190 H HN 1.421 nan 8.280 nan 0.000 0.339 191 N N -3.096 115.660 118.700 0.094 0.000 2.476 191 N HA 0.602 5.342 4.740 0.001 0.000 0.324 191 N C 1.844 177.380 175.510 0.044 0.000 1.114 191 N CA 1.852 54.934 53.050 0.054 0.000 1.978 191 N CB -1.116 37.379 38.487 0.014 0.000 2.208 191 N HN 2.628 nan 8.380 nan 0.000 1.160 192 I N -0.845 119.752 120.570 0.045 0.000 9.129 192 I HA 0.330 4.500 4.170 0.001 0.000 0.129 192 I C 1.618 177.751 176.117 0.027 0.000 1.824 192 I CA 0.521 61.843 61.300 0.037 0.000 2.100 192 I CB -1.550 36.473 38.000 0.038 0.000 3.880 192 I HN 2.139 nan 8.210 nan 0.000 0.189 193 L N -0.048 121.189 121.223 0.024 0.000 2.562 193 L HA 0.901 5.242 4.340 0.001 0.000 0.271 193 L C 1.472 178.351 176.870 0.015 0.000 1.167 193 L CA 1.002 55.853 54.840 0.018 0.000 0.917 193 L CB -1.064 41.005 42.059 0.018 0.000 1.187 193 L HN 2.835 nan 8.230 nan 0.000 0.482 194 M N 2.172 121.778 119.600 0.010 0.000 2.268 194 M HA 0.548 5.029 4.480 0.001 0.000 0.349 194 M C 0.866 177.171 176.300 0.008 0.000 1.485 194 M CA 0.657 55.961 55.300 0.007 0.000 1.094 194 M CB -1.580 31.021 32.600 0.001 0.000 1.843 194 M HN 2.461 nan 8.290 nan 0.000 0.460 195 H N 0.401 119.477 119.070 0.010 0.000 3.808 195 H HA 0.573 5.129 4.556 0.001 0.000 0.267 195 H C -1.187 174.149 175.328 0.013 0.000 1.168 195 H CA 1.211 57.266 56.048 0.012 0.000 1.089 195 H CB -0.987 28.784 29.762 0.015 0.000 3.342 195 H HN 1.109 nan 8.280 nan 0.000 0.721 196 P HA 0.600 nan 4.420 nan 0.000 0.493 196 P C 1.538 178.844 177.300 0.010 0.000 0.671 196 P CA 2.334 65.441 63.100 0.012 0.000 2.306 196 P CB -0.244 31.464 31.700 0.014 0.000 1.089 197 F N -1.110 118.846 119.950 0.010 0.000 2.530 197 F HA 0.374 4.901 4.527 0.001 0.000 0.292 197 F C 2.317 178.120 175.800 0.005 0.000 1.109 197 F CA 2.043 60.049 58.000 0.010 0.000 1.450 197 F CB -1.571 37.437 39.000 0.014 0.000 1.114 197 F HN 0.593 nan 8.300 nan 0.000 0.560 198 H N -0.945 118.126 119.070 0.001 0.000 2.556 198 H HA 0.337 4.893 4.556 0.001 0.000 0.268 198 H C 1.920 177.244 175.328 -0.006 0.000 0.996 198 H CA 1.846 57.890 56.048 -0.007 0.000 1.157 198 H CB -1.025 28.730 29.762 -0.011 0.000 1.355 198 H HN 0.755 nan 8.280 nan 0.000 0.597 199 Q N -0.408 119.391 119.800 -0.001 0.000 2.408 199 Q HA 0.518 4.859 4.340 0.001 0.000 0.205 199 Q C 2.486 178.486 176.000 -0.000 0.000 0.919 199 Q CA 1.173 56.976 55.803 -0.001 0.000 0.932 199 Q CB -0.714 28.026 28.738 0.003 0.000 1.058 199 Q HN 1.027 nan 8.270 nan 0.000 0.517 200 L N -1.021 120.203 121.223 0.001 0.000 2.200 200 L HA 0.514 4.854 4.340 0.001 0.000 0.200 200 L C 2.738 179.608 176.870 0.000 0.000 1.072 200 L CA 1.734 56.575 54.840 0.002 0.000 0.787 200 L CB -1.313 40.749 42.059 0.006 0.000 0.957 200 L HN 0.504 nan 8.230 nan 0.000 0.459 201 G N -0.806 107.993 108.800 -0.002 0.000 2.421 201 G HA2 0.140 4.100 3.960 0.001 0.000 0.217 201 G HA3 0.140 4.100 3.960 0.001 0.000 0.217 201 G C 1.545 176.436 174.900 -0.016 0.000 1.143 201 G CA 1.565 46.660 45.100 -0.008 0.000 0.784 201 G HN 1.056 nan 8.290 nan 0.000 0.541 202 V N 0.365 120.269 119.914 -0.017 0.000 3.041 202 V HA 0.483 4.603 4.120 0.001 0.000 0.260 202 V C 2.601 178.686 176.094 -0.014 0.000 1.105 202 V CA 2.271 64.559 62.300 -0.019 0.000 1.125 202 V CB -0.380 31.432 31.823 -0.018 0.000 0.730 202 V HN 0.402 nan 8.190 nan 0.000 0.479 203 A N -0.330 122.484 122.820 -0.010 0.000 2.195 203 A HA 0.427 4.747 4.320 0.001 0.000 0.210 203 A C 2.240 179.820 177.584 -0.007 0.000 1.165 203 A CA 1.245 53.277 52.037 -0.007 0.000 0.806 203 A CB -0.249 18.748 19.000 -0.004 0.000 0.847 203 A HN 0.678 nan 8.150 nan 0.000 0.482 204 G N -0.411 108.385 108.800 -0.007 0.000 2.510 204 G HA2 0.246 4.207 3.960 0.001 0.000 0.212 204 G HA3 0.246 4.207 3.960 0.001 0.000 0.212 204 G C 1.406 176.300 174.900 -0.010 0.000 1.151 204 G CA 1.025 46.121 45.100 -0.006 0.000 0.817 204 G HN 0.635 nan 8.290 nan 0.000 0.534 205 V N -0.029 119.875 119.914 -0.016 0.000 2.548 205 V HA 0.278 4.398 4.120 0.001 0.000 0.249 205 V C 2.701 178.784 176.094 -0.019 0.000 1.055 205 V CA 2.636 64.923 62.300 -0.021 0.000 1.065 205 V CB -0.891 30.913 31.823 -0.032 0.000 0.681 205 V HN 0.398 nan 8.190 nan 0.000 0.462 206 F N 0.371 120.312 119.950 -0.016 0.000 2.317 206 F HA 0.372 4.900 4.527 0.001 0.000 0.293 206 F C 2.306 178.100 175.800 -0.010 0.000 1.085 206 F CA 1.459 59.451 58.000 -0.013 0.000 1.390 206 F CB -0.816 38.176 39.000 -0.013 0.000 1.077 206 F HN 0.343 nan 8.300 nan 0.000 0.517 207 G N -0.281 108.513 108.800 -0.009 0.000 2.511 207 G HA2 0.212 4.173 3.960 0.001 0.000 0.217 207 G HA3 0.212 4.173 3.960 0.001 0.000 0.217 207 G C 1.784 176.680 174.900 -0.006 0.000 1.133 207 G CA 1.060 46.156 45.100 -0.007 0.000 0.792 207 G HN 0.826 nan 8.290 nan 0.000 0.539 208 G N 0.465 109.261 108.800 -0.006 0.000 2.623 208 G HA2 0.251 4.211 3.960 0.001 0.000 0.214 208 G HA3 0.251 4.211 3.960 0.001 0.000 0.214 208 G C 1.696 176.593 174.900 -0.005 0.000 1.138 208 G CA 1.085 46.182 45.100 -0.004 0.000 0.794 208 G HN 0.500 nan 8.290 nan 0.000 0.535 209 A N -0.059 122.757 122.820 -0.007 0.000 2.072 209 A HA 0.483 4.803 4.320 0.001 0.000 0.216 209 A C 2.473 180.055 177.584 -0.005 0.000 1.156 209 A CA 1.505 53.538 52.037 -0.007 0.000 0.701 209 A CB -0.323 18.672 19.000 -0.009 0.000 0.816 209 A HN 0.833 nan 8.150 nan 0.000 0.458 210 L N -2.697 118.523 121.223 -0.005 0.000 2.354 210 L HA 0.432 4.773 4.340 0.001 0.000 0.212 210 L C 2.710 179.578 176.870 -0.003 0.000 1.091 210 L CA 1.768 56.605 54.840 -0.004 0.000 0.828 210 L CB -2.111 39.944 42.059 -0.006 0.000 0.973 210 L HN 0.654 nan 8.230 nan 0.000 0.461 211 F N -1.149 118.800 119.950 -0.002 0.000 2.335 211 F HA 0.084 4.611 4.527 0.001 0.000 0.296 211 F C 2.625 178.428 175.800 0.004 0.000 1.091 211 F CA 1.419 59.420 58.000 0.001 0.000 1.399 211 F CB -1.296 37.705 39.000 0.002 0.000 1.067 211 F HN 0.606 nan 8.300 nan 0.000 0.520 212 C N 0.279 119.581 119.300 0.003 0.000 2.495 212 C HA 0.537 4.997 4.460 0.001 0.000 0.275 212 C C 3.044 178.036 174.990 0.004 0.000 1.392 212 C CA 1.509 60.531 59.018 0.005 0.000 1.766 212 C CB -1.274 26.468 27.740 0.004 0.000 1.933 212 C HN 0.726 nan 8.230 nan 0.000 0.519 213 A N -0.248 122.573 122.820 0.002 0.000 2.014 213 A HA 0.263 4.583 4.320 0.001 0.000 0.218 213 A C 2.523 180.108 177.584 0.001 0.000 1.163 213 A CA 2.929 54.967 52.037 0.001 0.000 0.652 213 A CB -0.643 18.357 19.000 -0.001 0.000 0.808 213 A HN 1.022 nan 8.150 nan 0.000 0.449 214 M N -1.445 118.156 119.600 0.002 0.000 2.357 214 M HA 0.143 4.623 4.480 0.001 0.000 0.266 214 M C 2.327 178.630 176.300 0.004 0.000 1.095 214 M CA 2.126 57.428 55.300 0.004 0.000 1.156 214 M CB -2.287 30.316 32.600 0.005 0.000 1.365 214 M HN 0.925 nan 8.290 nan 0.000 0.447 215 H N -0.505 118.569 119.070 0.006 0.000 2.395 215 H HA 0.322 4.878 4.556 0.001 0.000 0.299 215 H C 2.546 177.875 175.328 0.001 0.000 1.070 215 H CA 1.901 57.953 56.048 0.006 0.000 1.356 215 H CB -0.877 28.893 29.762 0.014 0.000 1.401 215 H HN 0.682 nan 8.280 nan 0.000 0.524 216 G N -0.993 107.809 108.800 0.003 0.000 2.813 216 G HA2 0.241 4.201 3.960 0.001 0.000 0.209 216 G HA3 0.241 4.201 3.960 0.001 0.000 0.209 216 G C 1.858 176.755 174.900 -0.004 0.000 1.150 216 G CA 1.208 46.310 45.100 0.002 0.000 0.785 216 G HN 0.901 nan 8.290 nan 0.000 0.535 217 S N -0.284 115.413 115.700 -0.006 0.000 2.475 217 S HA 0.491 4.961 4.470 0.001 0.000 0.224 217 S C 2.299 176.890 174.600 -0.015 0.000 1.042 217 S CA 0.975 59.170 58.200 -0.007 0.000 0.935 217 S CB -0.336 62.862 63.200 -0.003 0.000 0.801 217 S HN 0.589 nan 8.310 nan 0.000 0.509 218 L N 1.042 122.253 121.223 -0.020 0.000 2.044 218 L HA 0.504 4.845 4.340 0.001 0.000 0.205 218 L C 3.006 179.837 176.870 -0.065 0.000 1.075 218 L CA 2.060 56.881 54.840 -0.032 0.000 0.747 218 L CB -1.862 40.183 42.059 -0.025 0.000 0.903 218 L HN 0.585 nan 8.230 nan 0.000 0.435 219 V N -0.614 119.247 119.914 -0.089 0.000 2.427 219 V HA -0.092 4.029 4.120 0.001 0.000 0.248 219 V C 2.668 178.702 176.094 -0.100 0.000 1.051 219 V CA 3.481 65.684 62.300 -0.162 0.000 1.048 219 V CB -1.623 30.100 31.823 -0.168 0.000 0.666 219 V HN 0.713 nan 8.190 nan 0.000 0.456 220 T N -1.495 113.030 114.554 -0.048 0.000 3.118 220 T HA 0.325 4.676 4.350 0.001 0.000 0.260 220 T C 2.001 176.689 174.700 -0.020 0.000 1.139 220 T CA 1.914 64.000 62.100 -0.023 0.000 1.085 220 T CB -0.369 68.494 68.868 -0.008 0.000 0.934 220 T HN 0.822 nan 8.240 nan 0.000 0.518 221 S N -0.192 115.490 115.700 -0.030 0.000 2.421 221 S HA 0.627 5.097 4.470 0.001 0.000 0.224 221 S C 1.186 175.773 174.600 -0.023 0.000 1.035 221 S CA 1.157 59.344 58.200 -0.020 0.000 0.953 221 S CB 0.068 63.256 63.200 -0.019 0.000 0.810 221 S HN 1.157 nan 8.310 nan 0.000 0.497 222 S N -0.840 114.836 115.700 -0.041 0.000 2.325 222 S HA 0.718 5.188 4.470 0.001 0.000 0.228 222 S C -0.251 174.309 174.600 -0.066 0.000 0.942 222 S CA 0.143 58.320 58.200 -0.037 0.000 1.070 222 S CB -0.614 62.570 63.200 -0.026 0.000 1.232 222 S HN 1.700 nan 8.310 nan 0.000 0.405 223 L N 0.462 121.652 121.223 -0.055 0.000 3.155 223 L HA 0.944 5.284 4.340 0.001 0.000 0.227 223 L C 0.842 177.739 176.870 0.046 0.000 1.287 223 L CA 0.081 54.880 54.840 -0.068 0.000 1.500 223 L CB -0.564 41.316 42.059 -0.299 0.000 1.649 223 L HN 1.692 nan 8.230 nan 0.000 0.487 224 I N 0.135 120.798 120.570 0.155 0.000 3.257 224 I HA 0.772 4.942 4.170 0.001 0.000 0.325 224 I C 1.180 177.359 176.117 0.102 0.000 1.287 224 I CA 0.956 62.344 61.300 0.147 0.000 1.263 224 I CB -1.052 37.053 38.000 0.175 0.000 1.550 224 I HN 1.551 nan 8.210 nan 0.000 0.505 225 R N -0.655 119.883 120.500 0.064 0.000 2.637 225 R HA 0.711 5.051 4.340 0.001 0.000 0.262 225 R C 0.815 177.132 176.300 0.030 0.000 0.959 225 R CA 2.168 58.295 56.100 0.045 0.000 1.061 225 R CB -0.245 30.079 30.300 0.041 0.000 1.610 225 R HN 1.691 nan 8.270 nan 0.000 0.548 226 E N -3.280 116.935 120.200 0.025 0.000 2.970 226 E HA 0.530 4.880 4.350 0.001 0.000 0.118 226 E C 1.389 177.999 176.600 0.016 0.000 1.977 226 E CA 1.253 57.665 56.400 0.020 0.000 1.144 226 E CB -1.155 28.555 29.700 0.017 0.000 1.592 226 E HN 1.702 nan 8.360 nan 0.000 0.809 227 T N -1.926 112.634 114.554 0.010 0.000 8.413 227 T HA 0.157 4.507 4.350 0.001 0.000 0.334 227 T C 1.511 176.217 174.700 0.009 0.000 1.928 227 T CA 3.646 65.750 62.100 0.007 0.000 2.815 227 T CB -2.682 66.188 68.868 0.003 0.000 2.611 227 T HN 2.385 nan 8.240 nan 0.000 1.239 228 T N -2.770 111.792 114.554 0.012 0.000 4.469 228 T HA 0.762 5.112 4.350 0.001 0.000 0.289 228 T C 0.350 175.057 174.700 0.013 0.000 0.921 228 T CA 1.516 63.623 62.100 0.011 0.000 1.040 228 T CB -0.622 68.253 68.868 0.012 0.000 0.995 228 T HN 1.665 nan 8.240 nan 0.000 0.461 229 E N -0.046 120.163 120.200 0.014 0.000 3.931 229 E HA 0.852 5.202 4.350 0.001 0.000 0.213 229 E C 0.934 177.545 176.600 0.017 0.000 1.154 229 E CA 0.443 56.853 56.400 0.017 0.000 0.808 229 E CB -0.828 28.884 29.700 0.021 0.000 2.975 229 E HN 1.051 nan 8.360 nan 0.000 0.546 230 T N 0.291 114.860 114.554 0.025 0.000 2.738 230 T HA 0.533 4.883 4.350 0.001 0.000 0.293 230 T C 0.357 175.073 174.700 0.026 0.000 0.913 230 T CA 0.943 63.062 62.100 0.031 0.000 1.103 230 T CB -0.600 68.302 68.868 0.057 0.000 0.880 230 T HN 1.111 nan 8.240 nan 0.000 0.526 231 E N 1.475 121.683 120.200 0.014 0.000 3.315 231 E HA 0.581 4.932 4.350 0.001 0.000 0.153 231 E C 0.836 177.436 176.600 -0.000 0.000 0.934 231 E CA 0.346 56.752 56.400 0.011 0.000 1.426 231 E CB -0.567 29.138 29.700 0.008 0.000 1.048 231 E HN 1.023 nan 8.360 nan 0.000 0.422 232 S N 0.149 115.843 115.700 -0.011 0.000 2.667 232 S HA 0.644 5.115 4.470 0.001 0.000 0.251 232 S C 1.569 176.149 174.600 -0.032 0.000 1.075 232 S CA 0.595 58.777 58.200 -0.030 0.000 1.130 232 S CB -0.919 62.248 63.200 -0.055 0.000 0.795 232 S HN 2.040 nan 8.310 nan 0.000 0.462 233 A N -1.847 120.968 122.820 -0.009 0.000 2.847 233 A HA -0.034 4.286 4.320 0.001 0.000 0.263 233 A C 1.130 178.718 177.584 0.008 0.000 1.391 233 A CA 2.328 54.365 52.037 0.000 0.000 0.866 233 A CB -2.293 16.703 19.000 -0.007 0.000 1.057 233 A HN 2.029 nan 8.150 nan 0.000 0.673 234 N N -1.831 116.877 118.700 0.013 0.000 2.451 234 N HA 0.571 5.311 4.740 0.001 0.000 0.233 234 N C -0.034 175.585 175.510 0.181 0.000 1.718 234 N CA 0.676 53.764 53.050 0.064 0.000 1.506 234 N CB 0.276 38.681 38.487 -0.136 0.000 1.111 234 N HN 1.606 nan 8.380 nan 0.000 1.023 235 Y N -0.585 119.716 120.300 0.003 0.000 2.517 235 Y HA 0.746 5.296 4.550 0.000 0.000 0.346 235 Y C 0.337 176.239 175.900 0.003 0.000 1.113 235 Y CA -1.099 57.003 58.100 0.003 0.000 1.295 235 Y CB 0.311 38.773 38.460 0.003 0.000 1.094 235 Y HN 0.694 nan 8.280 nan 0.000 0.608 236 G N 0.777 109.585 108.800 0.014 0.000 2.572 236 G HA2 0.320 4.280 3.960 0.001 0.000 0.261 236 G HA3 0.320 4.280 3.960 0.001 0.000 0.261 236 G C -0.363 174.557 174.900 0.033 0.000 1.197 236 G CA -0.075 45.017 45.100 -0.015 0.000 0.870 236 G HN 0.897 nan 8.290 nan 0.000 0.548 237 Y N -1.048 119.262 120.300 0.018 0.000 2.569 237 Y HA 0.540 5.090 4.550 0.001 0.000 0.332 237 Y C 0.800 176.715 175.900 0.026 0.000 1.120 237 Y CA -0.500 57.617 58.100 0.029 0.000 1.416 237 Y CB -1.022 37.449 38.460 0.017 0.000 1.210 237 Y HN 1.038 nan 8.280 nan 0.000 0.528 238 K N 1.416 121.835 120.400 0.032 0.000 2.130 238 K HA 0.906 5.227 4.320 0.001 0.000 0.268 238 K C -0.839 175.774 176.600 0.021 0.000 0.983 238 K CA -0.049 56.254 56.287 0.026 0.000 0.893 238 K CB 0.588 33.107 32.500 0.031 0.000 1.066 238 K HN 2.397 nan 8.250 nan 0.000 0.450 239 F N 0.424 120.384 119.950 0.017 0.000 2.605 239 F HA 0.714 5.241 4.527 0.001 0.000 0.320 239 F C 0.377 176.185 175.800 0.014 0.000 1.159 239 F CA -1.046 56.962 58.000 0.015 0.000 0.999 239 F CB 1.222 40.229 39.000 0.012 0.000 1.258 239 F HN 0.992 nan 8.300 nan 0.000 0.464 252 H N 0.841 119.913 119.070 0.005 0.000 2.495 252 H HA 0.019 4.575 4.556 0.001 0.000 0.287 252 H C 1.922 177.252 175.328 0.004 0.000 1.033 252 H CA 1.811 57.862 56.048 0.005 0.000 1.307 252 H CB 0.069 29.835 29.762 0.006 0.000 1.401 252 H HN 0.455 nan 8.280 nan 0.000 0.555 253 G N -2.202 106.697 108.800 0.164 0.000 2.939 253 G HA2 -0.054 3.906 3.960 0.001 0.000 0.210 253 G HA3 -0.054 3.906 3.960 0.001 0.000 0.210 253 G C 1.445 176.381 174.900 0.061 0.000 1.160 253 G CA 0.624 45.784 45.100 0.100 0.000 0.770 253 G HN 0.524 nan 8.290 nan 0.000 0.543 254 Y N -2.072 118.256 120.300 0.047 0.000 2.535 254 Y HA 0.442 4.992 4.550 0.001 0.000 0.266 254 Y C 2.292 178.196 175.900 0.007 0.000 1.088 254 Y CA 0.510 58.622 58.100 0.020 0.000 1.285 254 Y CB -0.362 38.105 38.460 0.012 0.000 1.166 254 Y HN 0.329 nan 8.280 nan 0.000 0.525 255 F N 0.793 120.743 119.950 0.000 0.000 2.797 255 F HA 0.460 4.987 4.527 0.001 0.000 0.302 255 F C 1.993 177.781 175.800 -0.020 0.000 1.130 255 F CA 0.627 58.612 58.000 -0.025 0.000 1.387 255 F CB -0.672 38.292 39.000 -0.061 0.000 1.107 255 F HN 0.335 nan 8.300 nan 0.000 0.577 256 G N -0.912 107.896 108.800 0.015 0.000 3.042 256 G HA2 0.368 4.328 3.960 0.001 0.000 0.212 256 G HA3 0.368 4.328 3.960 0.001 0.000 0.212 256 G C 1.298 176.214 174.900 0.026 0.000 1.166 256 G CA 1.125 46.246 45.100 0.035 0.000 0.767 256 G HN 0.855 nan 8.290 nan 0.000 0.546 257 R N -1.610 118.897 120.500 0.011 0.000 2.555 257 R HA 0.655 4.996 4.340 0.001 0.000 0.312 257 R C 1.819 178.106 176.300 -0.020 0.000 0.938 257 R CA 0.944 57.045 56.100 0.001 0.000 1.112 257 R CB -0.860 29.442 30.300 0.004 0.000 1.535 257 R HN 0.593 nan 8.270 nan 0.000 0.525 258 L N -0.743 120.464 121.223 -0.025 0.000 2.425 258 L HA 0.634 4.974 4.340 0.001 0.000 0.215 258 L C 2.792 179.625 176.870 -0.062 0.000 1.065 258 L CA 1.581 56.392 54.840 -0.049 0.000 0.842 258 L CB -0.893 41.143 42.059 -0.038 0.000 1.033 258 L HN 0.609 nan 8.230 nan 0.000 0.474 259 I N -2.112 118.441 120.570 -0.028 0.000 2.731 259 I HA 0.454 4.624 4.170 0.001 0.000 0.260 259 I C 2.339 178.481 176.117 0.042 0.000 1.138 259 I CA 1.493 62.793 61.300 -0.001 0.000 1.461 259 I CB -1.196 36.808 38.000 0.007 0.000 1.128 259 I HN 0.715 nan 8.210 nan 0.000 0.438 260 F N 1.349 121.321 119.950 0.036 0.000 2.777 260 F HA 0.657 5.184 4.527 0.001 0.000 0.291 260 F C 1.417 177.260 175.800 0.071 0.000 1.187 260 F CA 0.750 58.794 58.000 0.073 0.000 1.406 260 F CB -1.767 37.263 39.000 0.050 0.000 0.982 260 F HN 0.803 nan 8.300 nan 0.000 0.509 261 Q N -1.203 118.606 119.800 0.016 0.000 2.798 261 Q HA 0.329 4.669 4.340 0.001 0.000 0.439 261 Q C 1.182 177.225 176.000 0.072 0.000 1.114 261 Q CA 1.447 57.222 55.803 -0.046 0.000 0.485 261 Q CB -1.050 27.566 28.738 -0.202 0.000 5.061 261 Q HN 1.262 nan 8.270 nan 0.000 0.311 262 Y N -2.299 118.002 120.300 0.002 0.000 4.782 262 Y HA -0.238 4.312 4.550 0.001 0.000 0.273 262 Y C 1.186 177.087 175.900 0.002 0.000 0.984 262 Y CA 1.871 59.972 58.100 0.002 0.000 1.897 262 Y CB -1.649 36.811 38.460 0.001 0.000 1.230 262 Y HN 0.956 nan 8.280 nan 0.000 0.470 263 A N -3.245 119.644 122.820 0.115 0.000 1.781 263 A HA 0.650 4.970 4.320 0.001 0.000 0.180 263 A C 1.007 178.616 177.584 0.041 0.000 1.996 263 A CA 1.129 53.210 52.037 0.073 0.000 1.576 263 A CB -0.499 18.547 19.000 0.076 0.000 1.609 263 A HN 1.017 nan 8.150 nan 0.000 0.304 264 S N -2.592 113.132 115.700 0.040 0.000 4.294 264 S HA 0.888 5.359 4.470 0.001 0.000 0.255 264 S C 0.080 174.693 174.600 0.022 0.000 0.997 264 S CA 0.429 58.643 58.200 0.024 0.000 1.177 264 S CB -0.331 62.883 63.200 0.024 0.000 1.907 264 S HN 2.122 nan 8.310 nan 0.000 0.510 265 F N -1.346 118.618 119.950 0.024 0.000 3.410 265 F HA 0.638 5.166 4.527 0.001 0.000 0.328 265 F C 1.007 176.822 175.800 0.025 0.000 1.099 265 F CA 0.695 58.709 58.000 0.025 0.000 0.841 265 F CB -0.096 38.914 39.000 0.017 0.000 1.527 265 F HN 1.338 nan 8.300 nan 0.000 0.478 266 N N -0.370 118.347 118.700 0.028 0.000 2.188 266 N HA 0.275 5.016 4.740 0.001 0.000 0.184 266 N C 1.819 177.343 175.510 0.022 0.000 1.018 266 N CA 3.161 56.228 53.050 0.029 0.000 0.858 266 N CB -1.219 37.291 38.487 0.039 0.000 0.989 266 N HN 2.740 nan 8.380 nan 0.000 0.426 267 N N -2.638 116.075 118.700 0.021 0.000 2.713 267 N HA 0.210 4.950 4.740 0.001 0.000 0.251 267 N C 0.437 175.955 175.510 0.014 0.000 1.117 267 N CA 1.904 54.963 53.050 0.016 0.000 0.770 267 N CB -2.326 36.168 38.487 0.012 0.000 1.137 267 N HN 2.090 nan 8.380 nan 0.000 0.566 268 S N -3.492 112.219 115.700 0.017 0.000 2.556 268 S HA 0.943 5.414 4.470 0.001 0.000 0.280 268 S C 0.845 175.454 174.600 0.015 0.000 1.141 268 S CA 0.932 59.140 58.200 0.013 0.000 0.883 268 S CB 0.235 63.441 63.200 0.011 0.000 1.103 268 S HN 1.893 nan 8.310 nan 0.000 0.453 269 R N 0.472 120.975 120.500 0.005 0.000 2.189 269 R HA 0.594 4.935 4.340 0.001 0.000 0.218 269 R C 1.701 178.000 176.300 -0.001 0.000 1.074 269 R CA 2.300 58.395 56.100 -0.008 0.000 0.991 269 R CB -1.278 29.005 30.300 -0.028 0.000 0.883 269 R HN 1.881 nan 8.270 nan 0.000 0.457 270 S N -0.546 115.159 115.700 0.007 0.000 2.602 270 S HA 0.579 5.049 4.470 0.001 0.000 0.240 270 S C 1.942 176.551 174.600 0.015 0.000 0.992 270 S CA 0.501 58.708 58.200 0.013 0.000 0.971 270 S CB -0.238 62.970 63.200 0.014 0.000 0.855 270 S HN 0.764 nan 8.310 nan 0.000 0.481 271 L N -0.681 120.552 121.223 0.018 0.000 2.240 271 L HA 0.249 4.589 4.340 0.001 0.000 0.211 271 L C 2.477 179.360 176.870 0.022 0.000 1.106 271 L CA 2.237 57.087 54.840 0.017 0.000 0.793 271 L CB -2.417 39.654 42.059 0.020 0.000 0.927 271 L HN 0.851 nan 8.230 nan 0.000 0.446 272 H N -2.803 116.285 119.070 0.031 0.000 2.470 272 H HA 0.174 4.730 4.556 0.001 0.000 0.289 272 H C 2.263 177.609 175.328 0.029 0.000 1.033 272 H CA 1.990 58.060 56.048 0.036 0.000 1.331 272 H CB -0.778 29.018 29.762 0.056 0.000 1.414 272 H HN 1.092 nan 8.280 nan 0.000 0.545 273 F N -0.172 119.794 119.950 0.026 0.000 2.512 273 F HA 0.348 4.876 4.527 0.001 0.000 0.296 273 F C 2.756 178.565 175.800 0.015 0.000 1.110 273 F CA 0.993 59.007 58.000 0.023 0.000 1.446 273 F CB -1.443 37.573 39.000 0.026 0.000 1.092 273 F HN 0.748 nan 8.300 nan 0.000 0.554 274 F N 0.130 120.085 119.950 0.010 0.000 2.615 274 F HA 0.376 4.904 4.527 0.001 0.000 0.297 274 F C 2.421 178.222 175.800 0.001 0.000 1.124 274 F CA 1.326 59.326 58.000 -0.001 0.000 1.451 274 F CB -1.092 37.905 39.000 -0.004 0.000 1.103 274 F HN 0.525 nan 8.300 nan 0.000 0.569 275 L N -0.523 120.705 121.223 0.008 0.000 2.249 275 L HA 0.588 4.929 4.340 0.001 0.000 0.207 275 L C 2.568 179.443 176.870 0.009 0.000 1.090 275 L CA 1.711 56.556 54.840 0.008 0.000 0.802 275 L CB -1.634 40.432 42.059 0.012 0.000 0.947 275 L HN 0.641 nan 8.230 nan 0.000 0.453 276 A N -0.641 122.186 122.820 0.012 0.000 2.016 276 A HA 0.345 4.666 4.320 0.001 0.000 0.217 276 A C 2.558 180.148 177.584 0.010 0.000 1.162 276 A CA 1.514 53.557 52.037 0.011 0.000 0.662 276 A CB -0.565 18.444 19.000 0.016 0.000 0.812 276 A HN 1.153 nan 8.150 nan 0.000 0.450 277 A N -2.333 120.494 122.820 0.010 0.000 2.123 277 A HA 0.230 4.550 4.320 0.001 0.000 0.214 277 A C 2.155 179.747 177.584 0.014 0.000 1.152 277 A CA 1.279 53.322 52.037 0.011 0.000 0.728 277 A CB -1.011 17.990 19.000 0.003 0.000 0.814 277 A HN 1.154 nan 8.150 nan 0.000 0.464 278 W N -0.693 120.613 121.300 0.009 0.000 2.576 278 W HA 0.250 4.911 4.660 0.001 0.000 0.270 278 W C 2.484 179.013 176.519 0.017 0.000 1.255 278 W CA 1.279 58.631 57.345 0.012 0.000 1.314 278 W CB -0.640 28.822 29.460 0.003 0.000 1.101 278 W HN 0.582 nan 8.180 nan 0.000 0.595 279 R N 0.549 121.055 120.500 0.010 0.000 2.313 279 R HA 0.468 4.809 4.340 0.001 0.000 0.199 279 R C 1.711 178.010 176.300 -0.001 0.000 0.958 279 R CA 1.587 57.689 56.100 0.004 0.000 1.047 279 R CB -1.334 28.965 30.300 -0.001 0.000 0.955 279 R HN 1.166 nan 8.270 nan 0.000 0.481 280 V N -2.037 117.882 119.914 0.007 0.000 3.477 280 V HA 0.674 4.795 4.120 0.001 0.000 0.297 280 V C 1.680 177.786 176.094 0.020 0.000 1.433 280 V CA 1.073 63.370 62.300 -0.006 0.000 1.052 280 V CB 0.694 32.513 31.823 -0.008 0.000 0.895 280 V HN 0.387 nan 8.190 nan 0.000 0.438 281 V N -1.600 118.365 119.914 0.085 0.000 3.165 281 V HA 0.467 4.588 4.120 0.001 0.000 0.231 281 V C 2.048 178.306 176.094 0.273 0.000 1.365 281 V CA 1.506 63.957 62.300 0.253 0.000 1.286 281 V CB 0.088 32.044 31.823 0.221 0.000 1.081 281 V HN 0.310 nan 8.190 nan 0.000 0.477 282 G N -0.105 108.766 108.800 0.118 0.000 2.448 282 G HA2 0.228 4.189 3.960 0.001 0.000 0.218 282 G HA3 0.228 4.189 3.960 0.001 0.000 0.218 282 G C 1.246 176.188 174.900 0.069 0.000 1.135 282 G CA 2.067 47.214 45.100 0.080 0.000 0.784 282 G HN 1.249 nan 8.290 nan 0.000 0.543 283 V N -1.627 118.315 119.914 0.046 0.000 3.565 283 V HA 0.415 4.535 4.120 0.001 0.000 0.260 283 V C 2.414 178.498 176.094 -0.016 0.000 1.231 283 V CA 1.456 63.763 62.300 0.011 0.000 1.100 283 V CB -0.889 30.928 31.823 -0.009 0.000 0.807 283 V HN 0.472 nan 8.190 nan 0.000 0.454 284 W N -0.824 120.460 121.300 -0.026 0.000 2.488 284 W HA 0.067 4.727 4.660 0.001 0.000 0.304 284 W C 1.998 178.407 176.519 -0.184 0.000 1.175 284 W CA 1.300 58.554 57.345 -0.152 0.000 1.365 284 W CB -0.812 28.494 29.460 -0.257 0.000 1.131 284 W HN 0.294 nan 8.180 nan 0.000 0.520 285 F N 1.091 121.011 119.950 -0.050 0.000 2.451 285 F HA 0.187 4.715 4.527 0.001 0.000 0.299 285 F C 2.550 178.325 175.800 -0.041 0.000 1.101 285 F CA 1.521 59.494 58.000 -0.045 0.000 1.436 285 F CB -0.689 38.287 39.000 -0.041 0.000 1.074 285 F HN 0.215 nan 8.300 nan 0.000 0.553 286 A N -0.298 122.589 122.820 0.111 0.000 1.935 286 A HA 0.175 4.496 4.320 0.001 0.000 0.214 286 A C 2.353 179.941 177.584 0.007 0.000 1.178 286 A CA 1.096 53.165 52.037 0.053 0.000 0.640 286 A CB -0.976 18.046 19.000 0.036 0.000 0.825 286 A HN 0.235 nan 8.150 nan 0.000 0.447 287 A N -0.403 122.399 122.820 -0.029 0.000 1.929 287 A HA 0.250 4.570 4.320 0.001 0.000 0.216 287 A C 2.321 179.857 177.584 -0.081 0.000 1.176 287 A CA 1.965 53.963 52.037 -0.065 0.000 0.628 287 A CB -1.000 17.943 19.000 -0.096 0.000 0.816 287 A HN 1.164 nan 8.150 nan 0.000 0.444 288 L N -1.134 120.034 121.223 -0.091 0.000 2.179 288 L HA 0.289 4.629 4.340 0.001 0.000 0.208 288 L C 2.604 179.459 176.870 -0.026 0.000 1.096 288 L CA 2.075 56.858 54.840 -0.096 0.000 0.779 288 L CB -2.121 39.847 42.059 -0.151 0.000 0.922 288 L HN 0.509 nan 8.230 nan 0.000 0.443 289 G N -0.390 108.420 108.800 0.016 0.000 2.403 289 G HA2 0.065 4.025 3.960 0.001 0.000 0.216 289 G HA3 0.065 4.025 3.960 0.001 0.000 0.216 289 G C 1.619 176.536 174.900 0.027 0.000 1.154 289 G CA 1.950 47.076 45.100 0.043 0.000 0.784 289 G HN 0.917 nan 8.290 nan 0.000 0.538 290 I N 0.629 121.206 120.570 0.012 0.000 2.617 290 I HA 0.417 4.587 4.170 0.001 0.000 0.256 290 I C 2.994 179.118 176.117 0.011 0.000 1.167 290 I CA 2.263 63.569 61.300 0.011 0.000 1.469 290 I CB -1.292 36.708 38.000 -0.000 0.000 1.098 290 I HN 0.409 nan 8.210 nan 0.000 0.436 291 S N 0.320 116.015 115.700 -0.008 0.000 2.395 291 S HA 0.069 4.539 4.470 0.001 0.000 0.225 291 S C 2.268 176.899 174.600 0.052 0.000 1.027 291 S CA 1.820 60.015 58.200 -0.009 0.000 0.965 291 S CB -1.132 62.027 63.200 -0.068 0.000 0.812 291 S HN 0.855 nan 8.310 nan 0.000 0.482 292 T N -0.447 114.133 114.554 0.043 0.000 2.995 292 T HA 0.363 4.713 4.350 0.001 0.000 0.269 292 T C 2.071 176.819 174.700 0.079 0.000 1.091 292 T CA 2.556 64.696 62.100 0.067 0.000 1.128 292 T CB -0.667 68.228 68.868 0.044 0.000 0.891 292 T HN 0.622 nan 8.240 nan 0.000 0.492 293 M N 0.416 120.058 119.600 0.069 0.000 2.501 293 M HA 0.779 5.260 4.480 0.001 0.000 0.261 293 M C 1.937 178.290 176.300 0.088 0.000 1.129 293 M CA 0.960 56.300 55.300 0.066 0.000 1.126 293 M CB -1.053 31.576 32.600 0.048 0.000 1.359 293 M HN 0.598 nan 8.290 nan 0.000 0.471 294 A N -0.031 122.856 122.820 0.112 0.000 3.077 294 A HA 0.567 4.888 4.320 0.001 0.000 0.255 294 A C 1.094 178.842 177.584 0.274 0.000 1.728 294 A CA 0.396 52.525 52.037 0.152 0.000 1.383 294 A CB -1.978 17.090 19.000 0.113 0.000 1.097 294 A HN 1.369 nan 8.150 nan 0.000 0.634 295 F N -0.890 119.171 119.950 0.186 0.000 2.419 295 F HA 0.309 4.836 4.527 0.001 0.000 0.283 295 F C 1.807 177.649 175.800 0.070 0.000 1.044 295 F CA 1.468 59.546 58.000 0.130 0.000 1.376 295 F CB -0.381 38.654 39.000 0.059 0.000 1.131 295 F HN 0.697 nan 8.300 nan 0.000 0.585 296 N N -1.214 117.526 118.700 0.067 0.000 1.944 296 N HA 0.393 5.133 4.740 0.001 0.000 0.255 296 N C 1.634 177.174 175.510 0.049 0.000 1.272 296 N CA 1.118 54.196 53.050 0.047 0.000 0.783 296 N CB -0.435 38.063 38.487 0.020 0.000 1.379 296 N HN 1.022 nan 8.380 nan 0.000 0.517 297 L N -0.335 120.918 121.223 0.050 0.000 2.049 297 L HA 0.476 4.816 4.340 0.001 0.000 0.203 297 L C 2.098 178.997 176.870 0.048 0.000 1.074 297 L CA 3.042 57.908 54.840 0.043 0.000 0.749 297 L CB -2.262 39.820 42.059 0.038 0.000 0.907 297 L HN 1.744 nan 8.230 nan 0.000 0.439 298 N N -2.041 116.694 118.700 0.058 0.000 1.324 298 N HA 0.235 4.976 4.740 0.001 0.000 0.111 298 N C 1.758 177.293 175.510 0.041 0.000 0.839 298 N CA 2.786 55.870 53.050 0.056 0.000 0.856 298 N CB -1.671 36.852 38.487 0.061 0.000 0.936 298 N HN 2.259 nan 8.380 nan 0.000 0.657 299 G N -4.524 104.298 108.800 0.037 0.000 3.311 299 G HA2 0.686 4.647 3.960 0.001 0.000 0.130 299 G HA3 0.686 4.647 3.960 0.001 0.000 0.130 299 G C 1.335 176.251 174.900 0.028 0.000 1.323 299 G CA 3.116 48.234 45.100 0.029 0.000 1.262 299 G HN 2.773 nan 8.290 nan 0.000 0.678 300 F N 0.260 120.225 119.950 0.026 0.000 2.559 300 F HA 0.039 4.566 4.527 0.001 0.000 0.681 300 F C 2.785 178.599 175.800 0.023 0.000 0.488 300 F CA 3.389 61.404 58.000 0.024 0.000 0.759 300 F CB -1.891 37.125 39.000 0.027 0.000 1.634 300 F HN 2.597 nan 8.300 nan 0.000 0.264 301 N N -1.691 117.023 118.700 0.023 0.000 1.220 301 N HA 0.377 5.117 4.740 0.001 0.000 0.114 301 N C 1.945 177.468 175.510 0.023 0.000 0.835 301 N CA 3.376 56.439 53.050 0.022 0.000 0.863 301 N CB -1.693 36.806 38.487 0.020 0.000 0.992 301 N HN 3.104 nan 8.380 nan 0.000 0.632 302 F N -2.172 117.792 119.950 0.024 0.000 2.562 302 F HA 0.118 4.646 4.527 0.001 0.000 0.696 302 F C 2.684 178.500 175.800 0.026 0.000 0.486 302 F CA 5.157 63.173 58.000 0.027 0.000 0.708 302 F CB -2.343 36.675 39.000 0.031 0.000 1.600 302 F HN 3.317 nan 8.300 nan 0.000 0.266 303 N N -1.820 116.896 118.700 0.026 0.000 3.921 303 N HA 0.326 5.066 4.740 0.001 0.000 0.220 303 N C 0.984 176.510 175.510 0.027 0.000 0.235 303 N CA 4.170 57.235 53.050 0.025 0.000 2.805 303 N CB -1.905 36.595 38.487 0.021 0.000 1.351 303 N HN 3.627 nan 8.380 nan 0.000 0.341 304 H N -2.767 116.319 119.070 0.026 0.000 3.143 304 H HA 0.979 5.536 4.556 0.001 0.000 0.303 304 H C 1.063 176.405 175.328 0.023 0.000 1.109 304 H CA 1.252 57.316 56.048 0.027 0.000 1.494 304 H CB 0.118 29.894 29.762 0.025 0.000 2.132 304 H HN 2.015 nan 8.280 nan 0.000 0.433 305 S N 1.361 117.076 115.700 0.025 0.000 2.336 305 S HA 0.518 4.988 4.470 0.001 0.000 0.214 305 S C 2.533 177.141 174.600 0.013 0.000 1.032 305 S CA 2.379 60.590 58.200 0.018 0.000 1.001 305 S CB -0.805 62.406 63.200 0.018 0.000 0.953 305 S HN 2.639 nan 8.310 nan 0.000 0.430 306 V N 0.192 120.114 119.914 0.013 0.000 5.895 306 V HA 0.171 4.291 4.120 0.001 0.000 0.172 306 V C 0.238 176.335 176.094 0.005 0.000 0.726 306 V CA 1.384 63.690 62.300 0.009 0.000 0.593 306 V CB -2.212 29.618 31.823 0.012 0.000 0.566 306 V HN 1.772 nan 8.190 nan 0.000 0.391 307 I N 2.021 122.592 120.570 0.001 0.000 2.542 307 I HA 0.871 5.042 4.170 0.001 0.000 0.278 307 I C -0.009 176.105 176.117 -0.004 0.000 1.069 307 I CA 0.420 61.720 61.300 -0.000 0.000 1.100 307 I CB 0.762 38.762 38.000 -0.000 0.000 1.204 307 I HN 1.579 nan 8.210 nan 0.000 0.470 308 D N 2.536 122.934 120.400 -0.003 0.000 2.539 308 D HA 0.837 5.478 4.640 0.001 0.000 0.280 308 D C 1.420 177.718 176.300 -0.005 0.000 1.208 308 D CA 0.570 54.566 54.000 -0.005 0.000 1.088 308 D CB 1.195 41.992 40.800 -0.004 0.000 1.149 308 D HN 1.611 nan 8.370 nan 0.000 0.596 309 A N -1.683 121.133 122.820 -0.005 0.000 1.898 309 A HA 0.374 4.694 4.320 0.001 0.000 0.214 309 A C 2.365 179.947 177.584 -0.003 0.000 1.183 309 A CA 2.676 54.710 52.037 -0.005 0.000 0.622 309 A CB -0.745 18.252 19.000 -0.005 0.000 0.824 309 A HN 0.966 nan 8.150 nan 0.000 0.444 310 K N -1.374 119.024 120.400 -0.002 0.000 2.335 310 K HA 0.449 4.770 4.320 0.001 0.000 0.195 310 K C 0.996 177.596 176.600 -0.000 0.000 1.058 310 K CA 1.129 57.416 56.287 -0.001 0.000 0.988 310 K CB -0.469 32.030 32.500 -0.001 0.000 0.880 310 K HN 2.074 nan 8.250 nan 0.000 0.513 311 G N -1.431 107.368 108.800 -0.000 0.000 2.768 311 G HA2 0.396 4.356 3.960 0.001 0.000 0.666 311 G HA3 0.396 4.356 3.960 0.001 0.000 0.666 311 G C -0.127 174.774 174.900 0.002 0.000 1.162 311 G CA 0.668 45.769 45.100 0.001 0.000 1.226 311 G HN 1.075 nan 8.290 nan 0.000 0.535 312 N N -1.173 117.528 118.700 0.002 0.000 2.868 312 N HA 1.046 5.787 4.740 0.001 0.000 0.185 312 N C 0.841 176.353 175.510 0.005 0.000 1.654 312 N CA 1.309 54.361 53.050 0.003 0.000 1.278 312 N CB 0.509 38.997 38.487 0.001 0.000 0.898 312 N HN 2.283 nan 8.380 nan 0.000 0.692 313 V N -0.304 119.612 119.914 0.004 0.000 3.235 313 V HA 0.629 4.749 4.120 0.001 0.000 0.245 313 V C 1.111 177.207 176.094 0.003 0.000 1.037 313 V CA 0.232 62.535 62.300 0.006 0.000 0.993 313 V CB -0.247 31.582 31.823 0.010 0.000 1.003 313 V HN 1.458 nan 8.190 nan 0.000 0.506 314 I N 1.714 122.284 120.570 -0.001 0.000 2.406 314 I HA 0.464 4.635 4.170 0.001 0.000 0.249 314 I C 1.545 177.658 176.117 -0.007 0.000 1.122 314 I CA 2.307 63.602 61.300 -0.008 0.000 1.431 314 I CB -1.340 36.651 38.000 -0.015 0.000 1.087 314 I HN 2.748 nan 8.210 nan 0.000 0.424 315 N N -1.442 117.260 118.700 0.004 0.000 5.488 315 N HA 0.462 5.202 4.740 0.001 0.000 0.373 315 N C 0.246 175.758 175.510 0.003 0.000 1.258 315 N CA 1.105 54.166 53.050 0.018 0.000 2.561 315 N CB -1.714 36.791 38.487 0.031 0.000 0.565 315 N HN 2.798 nan 8.380 nan 0.000 0.714 316 T N -1.716 112.861 114.554 0.039 0.000 2.676 316 T HA 0.521 4.871 4.350 0.001 0.000 0.308 316 T C -1.520 173.295 174.700 0.191 0.000 1.740 316 T CA 0.004 62.115 62.100 0.018 0.000 0.982 316 T CB 0.334 69.191 68.868 -0.019 0.000 1.724 316 T HN 1.600 nan 8.240 nan 0.000 0.497 317 W N 2.114 123.416 121.300 0.003 0.000 2.581 317 W HA 0.570 5.230 4.660 0.001 0.000 0.359 317 W C 0.772 177.293 176.519 0.004 0.000 1.167 317 W CA 0.344 57.691 57.345 0.004 0.000 1.517 317 W CB -0.454 29.007 29.460 0.003 0.000 1.519 317 W HN 1.221 nan 8.180 nan 0.000 0.431 318 A N 1.119 124.061 122.820 0.203 0.000 1.544 318 A HA 0.244 4.565 4.320 0.001 0.000 0.206 318 A C 0.949 178.580 177.584 0.077 0.000 1.895 318 A CA 0.804 52.910 52.037 0.116 0.000 1.585 318 A CB -0.368 18.689 19.000 0.094 0.000 1.485 318 A HN 0.318 nan 8.150 nan 0.000 0.342 319 D N -1.478 118.969 120.400 0.078 0.000 2.292 319 D HA 0.529 5.169 4.640 0.001 0.000 0.322 319 D C 1.512 177.847 176.300 0.059 0.000 1.087 319 D CA 1.116 55.149 54.000 0.055 0.000 0.857 319 D CB -0.512 40.314 40.800 0.044 0.000 1.445 319 D HN 1.184 nan 8.370 nan 0.000 0.528 320 I N 0.491 121.109 120.570 0.080 0.000 2.400 320 I HA 0.446 4.616 4.170 0.001 0.000 0.248 320 I C 2.847 179.017 176.117 0.089 0.000 1.109 320 I CA 1.991 63.338 61.300 0.079 0.000 1.425 320 I CB -0.971 37.079 38.000 0.084 0.000 1.094 320 I HN 0.739 nan 8.210 nan 0.000 0.425 321 I N 0.716 121.363 120.570 0.127 0.000 3.645 321 I HA 0.225 4.395 4.170 0.001 0.000 0.300 321 I C 2.219 178.345 176.117 0.014 0.000 1.260 321 I CA 1.805 63.166 61.300 0.102 0.000 1.365 321 I CB -2.273 35.852 38.000 0.209 0.000 1.077 321 I HN 0.703 nan 8.210 nan 0.000 0.439 322 N N 0.984 119.695 118.700 0.018 0.000 2.251 322 N HA -0.011 4.730 4.740 0.001 0.000 0.181 322 N C 2.202 177.712 175.510 -0.001 0.000 1.019 322 N CA 1.612 54.655 53.050 -0.012 0.000 0.862 322 N CB -0.535 37.953 38.487 0.002 0.000 0.992 322 N HN 0.829 nan 8.380 nan 0.000 0.429 323 R N 0.107 120.618 120.500 0.017 0.000 2.310 323 R HA 0.706 5.046 4.340 0.001 0.000 0.202 323 R C 2.344 178.655 176.300 0.018 0.000 0.933 323 R CA 1.116 57.227 56.100 0.018 0.000 1.054 323 R CB -1.144 29.171 30.300 0.025 0.000 0.985 323 R HN 0.758 nan 8.270 nan 0.000 0.489 324 A N 0.194 123.024 122.820 0.018 0.000 1.930 324 A HA 0.027 4.347 4.320 0.001 0.000 0.215 324 A C 2.191 179.779 177.584 0.007 0.000 1.176 324 A CA 1.449 53.497 52.037 0.018 0.000 0.632 324 A CB -0.505 18.510 19.000 0.026 0.000 0.819 324 A HN 0.703 nan 8.150 nan 0.000 0.445 325 N N -1.242 117.456 118.700 -0.004 0.000 2.280 325 N HA 0.427 5.167 4.740 0.001 0.000 0.192 325 N C 1.331 176.837 175.510 -0.006 0.000 1.109 325 N CA 1.099 54.141 53.050 -0.012 0.000 0.855 325 N CB -0.426 38.044 38.487 -0.028 0.000 0.974 325 N HN 0.781 nan 8.380 nan 0.000 0.482 326 L N -1.655 119.569 121.223 0.002 0.000 2.547 326 L HA 0.661 5.002 4.340 0.001 0.000 0.218 326 L C 2.343 179.224 176.870 0.019 0.000 1.048 326 L CA 0.959 55.804 54.840 0.009 0.000 0.859 326 L CB -0.864 41.200 42.059 0.008 0.000 1.128 326 L HN 0.404 nan 8.230 nan 0.000 0.483 327 G N -1.756 107.056 108.800 0.020 0.000 3.379 327 G HA2 0.479 4.440 3.960 0.001 0.000 0.253 327 G HA3 0.479 4.440 3.960 0.001 0.000 0.253 327 G C 0.553 175.471 174.900 0.029 0.000 1.262 327 G CA 1.532 46.647 45.100 0.025 0.000 0.959 327 G HN 1.309 nan 8.290 nan 0.000 0.524 328 M N -2.674 116.943 119.600 0.029 0.000 1.794 328 M HA 0.604 5.084 4.480 0.001 0.000 0.292 328 M C 1.657 177.975 176.300 0.031 0.000 0.966 328 M CA 1.301 56.619 55.300 0.030 0.000 1.072 328 M CB -0.051 32.557 32.600 0.014 0.000 2.031 328 M HN 0.313 nan 8.290 nan 0.000 0.719 329 E N 0.348 120.561 120.200 0.020 0.000 2.162 329 E HA 0.569 4.920 4.350 0.001 0.000 0.193 329 E C 2.117 178.751 176.600 0.057 0.000 0.953 329 E CA 1.684 58.091 56.400 0.012 0.000 0.849 329 E CB -0.865 28.829 29.700 -0.010 0.000 0.810 329 E HN 1.545 nan 8.360 nan 0.000 0.470 330 V N -0.000 119.941 119.914 0.046 0.000 2.591 330 V HA 0.322 4.442 4.120 0.001 0.000 0.249 330 V C 2.888 179.017 176.094 0.059 0.000 1.053 330 V CA 2.966 65.294 62.300 0.046 0.000 1.068 330 V CB -0.904 30.935 31.823 0.027 0.000 0.689 330 V HN 0.622 nan 8.190 nan 0.000 0.462 331 M N -0.676 118.963 119.600 0.066 0.000 2.691 331 M HA 0.174 4.654 4.480 0.001 0.000 0.227 331 M C 1.224 177.581 176.300 0.095 0.000 1.120 331 M CA 1.101 56.439 55.300 0.062 0.000 1.034 331 M CB -1.588 31.044 32.600 0.053 0.000 1.675 331 M HN 0.792 nan 8.290 nan 0.000 0.514 332 H N 0.248 119.324 119.070 0.010 0.000 2.476 332 H HA 0.361 4.917 4.556 0.001 0.000 0.256 332 H C -0.543 174.798 175.328 0.022 0.000 1.321 332 H CA -0.175 55.881 56.048 0.014 0.000 1.056 332 H CB -0.209 29.558 29.762 0.009 0.000 1.643 332 H HN 0.767 nan 8.280 nan 0.000 0.541 333 E N 1.929 122.094 120.200 -0.058 0.000 2.081 333 E HA 0.131 4.482 4.350 0.001 0.000 0.270 333 E C 1.392 177.951 176.600 -0.069 0.000 1.180 333 E CA 0.596 56.978 56.400 -0.030 0.000 0.926 333 E CB 0.187 29.883 29.700 -0.005 0.000 1.035 333 E HN 0.757 nan 8.360 nan 0.000 0.418 334 R N 2.654 123.127 120.500 -0.045 0.000 3.462 334 R HA -0.384 3.957 4.340 0.001 0.000 0.574 334 R C 0.894 177.116 176.300 -0.130 0.000 0.274 334 R CA 2.777 58.844 56.100 -0.054 0.000 0.685 334 R CB -2.441 27.891 30.300 0.053 0.000 0.616 334 R HN 1.146 nan 8.270 nan 0.000 0.317 335 N N -1.689 116.970 118.700 -0.068 0.000 3.111 335 N HA 0.748 5.488 4.740 0.001 0.000 0.200 335 N C 0.257 175.740 175.510 -0.044 0.000 1.464 335 N CA 1.048 54.055 53.050 -0.072 0.000 0.758 335 N CB 0.342 38.785 38.487 -0.074 0.000 1.548 335 N HN 1.638 nan 8.380 nan 0.000 0.595 336 A N -0.761 122.052 122.820 -0.011 0.000 1.995 336 A HA 0.626 4.946 4.320 0.001 0.000 0.200 336 A C 1.214 178.799 177.584 0.003 0.000 1.566 336 A CA 1.474 53.516 52.037 0.008 0.000 0.895 336 A CB -0.726 18.319 19.000 0.075 0.000 1.046 336 A HN 1.700 nan 8.150 nan 0.000 0.523 337 H N -1.920 117.152 119.070 0.003 0.000 2.607 337 H HA 0.589 5.145 4.556 0.001 0.000 0.367 337 H C 0.667 175.990 175.328 -0.007 0.000 1.181 337 H CA 0.901 56.949 56.048 0.001 0.000 1.402 337 H CB 0.172 29.936 29.762 0.003 0.000 1.474 337 H HN 1.046 nan 8.280 nan 0.000 0.596 338 N N -2.369 116.329 118.700 -0.004 0.000 2.323 338 N HA 0.153 4.893 4.740 0.001 0.000 0.318 338 N C 1.825 177.335 175.510 -0.001 0.000 0.772 338 N CA 1.282 54.329 53.050 -0.005 0.000 0.619 338 N CB -0.461 38.021 38.487 -0.008 0.000 2.293 338 N HN 1.072 nan 8.380 nan 0.000 1.086 339 F N 1.490 121.441 119.950 0.000 0.000 2.104 339 F HA 0.710 5.237 4.527 0.001 0.000 0.288 339 F C 0.774 176.576 175.800 0.004 0.000 1.107 339 F CA 0.973 58.974 58.000 0.002 0.000 1.208 339 F CB -1.696 37.306 39.000 0.002 0.000 1.033 339 F HN 0.621 nan 8.300 nan 0.000 0.478 340 P HA 0.704 nan 4.420 nan 0.000 0.272 340 P C 0.124 177.428 177.300 0.008 0.000 1.223 340 P CA 1.228 64.332 63.100 0.007 0.000 0.784 340 P CB 0.947 32.652 31.700 0.008 0.000 0.923 341 L N -1.047 120.181 121.223 0.009 0.000 3.227 341 L HA 0.464 4.804 4.340 0.001 0.000 0.287 341 L C 2.091 178.968 176.870 0.013 0.000 1.161 341 L CA 1.566 56.412 54.840 0.011 0.000 1.048 341 L CB -1.018 41.048 42.059 0.010 0.000 1.541 341 L HN 0.661 nan 8.230 nan 0.000 0.590 342 D N -0.082 120.326 120.400 0.012 0.000 2.091 342 D HA 0.552 5.192 4.640 0.001 0.000 0.199 342 D C 0.891 177.200 176.300 0.016 0.000 0.980 342 D CA 2.380 56.388 54.000 0.014 0.000 0.831 342 D CB -0.147 40.660 40.800 0.012 0.000 0.987 342 D HN 1.550 nan 8.370 nan 0.000 0.460 343 L N -0.718 120.514 121.223 0.015 0.000 2.410 343 L HA 0.907 5.248 4.340 0.001 0.000 0.270 343 L C 0.604 177.484 176.870 0.016 0.000 0.983 343 L CA -0.741 54.109 54.840 0.017 0.000 0.822 343 L CB 0.893 42.962 42.059 0.017 0.000 1.285 343 L HN 0.850 nan 8.230 nan 0.000 0.409 344 A N 0.000 122.830 122.820 0.017 0.000 2.254 344 A HA 0.000 4.320 4.320 0.001 0.000 0.244 344 A CA 0.000 52.046 52.037 0.015 0.000 0.836 344 A CB 0.000 19.008 19.000 0.014 0.000 0.831 344 A HN 0.000 nan 8.150 nan 0.000 0.486