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_J 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 -0.009 0.000 1.175 32 W CA 0.000 57.339 57.345 -0.009 0.000 1.226 32 W CB 0.000 29.455 29.460 -0.009 0.000 1.126 33 F N 1.786 121.731 119.950 -0.009 0.000 2.084 33 F HA 0.461 4.899 4.527 -0.148 0.000 0.296 33 F C 1.642 177.438 175.800 -0.008 0.000 1.111 33 F CA 1.614 59.609 58.000 -0.009 0.000 1.224 33 F CB -1.131 37.864 39.000 -0.009 0.000 0.991 33 F HN 0.747 nan 8.300 nan 0.000 0.471 34 G N -0.095 108.701 108.800 -0.007 0.000 2.327 34 G HA2 0.554 4.425 3.960 -0.148 0.000 0.302 34 G HA3 0.554 4.425 3.960 -0.148 0.000 0.302 34 G C -0.186 174.708 174.900 -0.009 0.000 1.113 34 G CA 0.403 45.499 45.100 -0.007 0.000 0.921 34 G HN 1.410 nan 8.290 nan 0.000 0.425 35 V N 1.762 121.670 119.914 -0.010 0.000 2.229 35 V HA 0.538 4.569 4.120 -0.148 0.000 0.245 35 V C 1.249 177.334 176.094 -0.015 0.000 1.243 35 V CA 1.020 63.312 62.300 -0.013 0.000 1.176 35 V CB -0.615 31.201 31.823 -0.012 0.000 1.323 35 V HN 1.296 nan 8.190 nan 0.000 0.499 36 I N 1.491 122.050 120.570 -0.018 0.000 5.422 36 I HA 0.291 4.372 4.170 -0.148 0.000 0.352 36 I C 2.019 178.116 176.117 -0.033 0.000 1.144 36 I CA 1.694 62.981 61.300 -0.023 0.000 1.603 36 I CB -0.522 37.471 38.000 -0.010 0.000 1.902 36 I HN 0.866 nan 8.210 nan 0.000 0.651 37 M N 0.794 120.379 119.600 -0.025 0.000 2.279 37 M HA 0.290 4.681 4.480 -0.148 0.000 0.264 37 M C 2.449 178.725 176.300 -0.040 0.000 1.062 37 M CA 2.776 58.060 55.300 -0.026 0.000 1.099 37 M CB -1.986 30.605 32.600 -0.015 0.000 1.394 37 M HN 1.816 nan 8.290 nan 0.000 0.426 38 I N -0.861 119.686 120.570 -0.039 0.000 3.059 38 I HA 0.361 4.442 4.170 -0.148 0.000 0.270 38 I C 0.681 176.761 176.117 -0.062 0.000 1.238 38 I CA 1.596 62.871 61.300 -0.042 0.000 1.478 38 I CB -1.862 36.120 38.000 -0.029 0.000 1.097 38 I HN 0.498 nan 8.210 nan 0.000 0.455 39 P HA 0.448 nan 4.420 nan 0.000 0.282 39 P C 1.282 178.444 177.300 -0.230 0.000 1.327 39 P CA 1.677 64.705 63.100 -0.119 0.000 0.949 39 P CB 0.269 31.920 31.700 -0.082 0.000 1.445 40 T N -2.208 112.216 114.554 -0.217 0.000 3.114 40 T HA 0.407 4.668 4.350 -0.148 0.000 0.240 40 T C 2.070 176.616 174.700 -0.257 0.000 0.983 40 T CA 1.436 63.339 62.100 -0.329 0.000 1.151 40 T CB -0.801 67.992 68.868 -0.125 0.000 0.974 40 T HN 0.063 nan 8.240 nan 0.000 0.442 41 L N 1.341 122.493 121.223 -0.118 0.000 2.291 41 L HA 0.601 4.852 4.340 -0.148 0.000 0.214 41 L C 3.166 179.999 176.870 -0.063 0.000 1.120 41 L CA 2.087 56.890 54.840 -0.060 0.000 0.799 41 L CB -1.995 40.048 42.059 -0.026 0.000 0.925 41 L HN 0.695 nan 8.230 nan 0.000 0.446 42 L N -1.909 119.261 121.223 -0.088 0.000 2.209 42 L HA 0.577 4.828 4.340 -0.148 0.000 0.207 42 L C 2.797 179.632 176.870 -0.058 0.000 1.094 42 L CA 1.989 56.795 54.840 -0.057 0.000 0.790 42 L CB -1.594 40.433 42.059 -0.053 0.000 0.932 42 L HN 0.718 nan 8.230 nan 0.000 0.447 43 A N -0.949 121.783 122.820 -0.147 0.000 2.072 43 A HA 0.464 4.695 4.320 -0.148 0.000 0.216 43 A C 2.365 179.962 177.584 0.022 0.000 1.156 43 A CA 1.229 53.197 52.037 -0.115 0.000 0.701 43 A CB -0.428 18.380 19.000 -0.321 0.000 0.816 43 A HN 1.199 nan 8.150 nan 0.000 0.458 44 A N -1.758 121.055 122.820 -0.011 0.000 2.308 44 A HA 0.477 4.708 4.320 -0.148 0.000 0.217 44 A C 1.751 179.387 177.584 0.086 0.000 1.216 44 A CA 1.513 53.591 52.037 0.069 0.000 0.864 44 A CB -0.625 18.343 19.000 -0.053 0.000 0.902 44 A HN 0.542 nan 8.150 nan 0.000 0.499 45 T N -1.937 112.664 114.554 0.078 0.000 2.978 45 T HA 0.426 4.687 4.350 -0.148 0.000 0.248 45 T C 1.807 176.600 174.700 0.154 0.000 1.018 45 T CA 1.108 63.269 62.100 0.101 0.000 1.026 45 T CB -0.411 68.482 68.868 0.041 0.000 1.032 45 T HN 0.593 nan 8.240 nan 0.000 0.485 46 I N 0.409 121.051 120.570 0.120 0.000 2.703 46 I HA 0.335 4.416 4.170 -0.148 0.000 0.259 46 I C 2.947 179.150 176.117 0.145 0.000 1.151 46 I CA 1.384 62.753 61.300 0.115 0.000 1.470 46 I CB -1.672 36.374 38.000 0.077 0.000 1.112 46 I HN 0.734 nan 8.210 nan 0.000 0.437 47 C N -1.542 117.861 119.300 0.172 0.000 2.495 47 C HA 0.332 4.703 4.460 -0.148 0.000 0.275 47 C C 2.573 177.695 174.990 0.220 0.000 1.392 47 C CA 0.903 60.031 59.018 0.182 0.000 1.766 47 C CB -1.089 26.769 27.740 0.196 0.000 1.933 47 C HN 0.678 nan 8.230 nan 0.000 0.519 48 F N 1.122 121.137 119.950 0.109 0.000 2.270 48 F HA 0.173 4.622 4.527 -0.130 0.000 0.295 48 F C 2.231 178.110 175.800 0.133 0.000 1.087 48 F CA 1.692 59.768 58.000 0.126 0.000 1.365 48 F CB 0.226 39.294 39.000 0.115 0.000 1.056 48 F HN 0.145 nan 8.300 nan 0.000 0.506 49 V N -0.035 120.038 119.914 0.265 0.000 3.129 49 V HA -0.001 4.030 4.120 -0.148 0.000 0.259 49 V C 2.219 178.400 176.094 0.144 0.000 1.116 49 V CA 1.970 64.387 62.300 0.195 0.000 1.127 49 V CB -1.430 30.500 31.823 0.178 0.000 0.742 49 V HN 0.247 nan 8.190 nan 0.000 0.474 50 I N -0.895 119.744 120.570 0.114 0.000 2.703 50 I HA 0.460 4.541 4.170 -0.148 0.000 0.259 50 I C 2.531 178.675 176.117 0.044 0.000 1.151 50 I CA 1.931 63.277 61.300 0.076 0.000 1.470 50 I CB -0.906 37.138 38.000 0.073 0.000 1.112 50 I HN 0.489 nan 8.210 nan 0.000 0.437 51 A N -1.003 121.836 122.820 0.033 0.000 1.970 51 A HA 0.024 4.255 4.320 -0.148 0.000 0.216 51 A C 2.183 179.761 177.584 -0.010 0.000 1.170 51 A CA 1.157 53.189 52.037 -0.008 0.000 0.645 51 A CB -0.779 18.208 19.000 -0.022 0.000 0.816 51 A HN 0.751 nan 8.150 nan 0.000 0.447 52 F N 0.808 120.659 119.950 -0.165 0.000 2.325 52 F HA -0.074 4.367 4.527 -0.144 0.000 0.299 52 F C 2.369 178.124 175.800 -0.075 0.000 1.090 52 F CA 1.120 59.030 58.000 -0.150 0.000 1.392 52 F CB 0.043 38.940 39.000 -0.173 0.000 1.053 52 F HN 0.200 nan 8.300 nan 0.000 0.521 53 I N -0.585 119.969 120.570 -0.027 0.000 2.761 53 I HA 0.256 4.337 4.170 -0.148 0.000 0.261 53 I C 2.247 178.295 176.117 -0.115 0.000 1.198 53 I CA 1.309 62.562 61.300 -0.079 0.000 1.482 53 I CB -1.876 36.129 38.000 0.008 0.000 1.100 53 I HN 0.232 nan 8.210 nan 0.000 0.445 54 A N -0.171 122.587 122.820 -0.102 0.000 2.238 54 A HA 0.600 4.831 4.320 -0.148 0.000 0.208 54 A C 1.845 179.353 177.584 -0.127 0.000 1.177 54 A CA 0.968 52.948 52.037 -0.096 0.000 0.804 54 A CB -0.484 18.473 19.000 -0.072 0.000 0.823 54 A HN 1.523 nan 8.150 nan 0.000 0.482 55 A N -1.281 121.422 122.820 -0.194 0.000 2.616 55 A HA 0.614 4.845 4.320 -0.148 0.000 0.294 55 A C -0.383 177.054 177.584 -0.244 0.000 1.091 55 A CA 0.516 52.431 52.037 -0.203 0.000 0.971 55 A CB -0.090 18.786 19.000 -0.207 0.000 1.222 55 A HN 0.261 nan 8.150 nan 0.000 0.521 56 P HA 0.326 nan 4.420 nan 0.000 0.252 56 P C -0.346 176.878 177.300 -0.128 0.000 1.265 56 P CA 1.328 64.309 63.100 -0.197 0.000 0.775 56 P CB -0.601 31.006 31.700 -0.155 0.000 1.128 57 P HA 0.478 nan 4.420 nan 0.000 0.221 57 P C 0.556 177.813 177.300 -0.072 0.000 1.155 57 P CA 1.933 64.984 63.100 -0.081 0.000 0.812 57 P CB -0.062 31.592 31.700 -0.076 0.000 0.801 58 V N -2.819 117.044 119.914 -0.085 0.000 3.829 58 V HA 0.553 4.584 4.120 -0.148 0.000 0.409 58 V C 0.484 176.535 176.094 -0.071 0.000 1.319 58 V CA 0.904 63.165 62.300 -0.065 0.000 1.906 58 V CB 0.097 31.891 31.823 -0.049 0.000 0.812 58 V HN 0.266 nan 8.190 nan 0.000 0.520 59 D N 1.021 121.364 120.400 -0.095 0.000 2.394 59 D HA 0.511 5.062 4.640 -0.148 0.000 0.237 59 D C 1.881 178.175 176.300 -0.010 0.000 1.028 59 D CA 2.509 56.455 54.000 -0.091 0.000 0.937 59 D CB 0.191 40.849 40.800 -0.236 0.000 1.072 59 D HN 2.334 nan 8.370 nan 0.000 0.457 60 I N -1.460 119.107 120.570 -0.005 0.000 5.830 60 I HA 0.132 4.213 4.170 -0.148 0.000 0.126 60 I C 1.186 177.348 176.117 0.076 0.000 1.817 60 I CA 1.728 63.045 61.300 0.028 0.000 2.044 60 I CB -2.779 35.232 38.000 0.018 0.000 3.396 60 I HN 2.100 nan 8.210 nan 0.000 0.171 61 D N -1.960 118.519 120.400 0.131 0.000 2.927 61 D HA 0.436 4.987 4.640 -0.148 0.000 0.236 61 D C 1.738 178.143 176.300 0.174 0.000 1.163 61 D CA 2.012 56.140 54.000 0.214 0.000 0.801 61 D CB -1.487 39.414 40.800 0.169 0.000 0.975 61 D HN 3.110 nan 8.370 nan 0.000 0.413 62 G N -2.204 106.710 108.800 0.191 0.000 4.314 62 G HA2 0.546 4.417 3.960 -0.148 0.000 0.166 62 G HA3 0.546 4.417 3.960 -0.148 0.000 0.166 62 G C 1.740 176.752 174.900 0.186 0.000 1.213 62 G CA 1.886 47.091 45.100 0.175 0.000 1.027 62 G HN 1.788 nan 8.290 nan 0.000 0.352 63 I N 0.222 120.871 120.570 0.132 0.000 2.956 63 I HA 0.711 4.792 4.170 -0.148 0.000 0.233 63 I C 2.142 178.319 176.117 0.099 0.000 1.054 63 I CA 3.016 64.383 61.300 0.112 0.000 1.456 63 I CB -1.534 36.501 38.000 0.059 0.000 1.297 63 I HN 1.916 nan 8.210 nan 0.000 0.448 64 R N -1.024 119.502 120.500 0.042 0.000 3.906 64 R HA 0.231 4.482 4.340 -0.148 0.000 0.449 64 R C 1.721 178.015 176.300 -0.010 0.000 0.241 64 R CA 2.600 58.691 56.100 -0.016 0.000 1.420 64 R CB -2.540 27.748 30.300 -0.020 0.000 1.053 64 R HN 2.766 nan 8.270 nan 0.000 0.539 65 E N -3.275 116.904 120.200 -0.035 0.000 2.228 65 E HA 0.083 4.344 4.350 -0.148 0.000 0.213 65 E C 0.069 176.650 176.600 -0.032 0.000 1.282 65 E CA 2.041 58.422 56.400 -0.032 0.000 0.707 65 E CB -2.816 26.877 29.700 -0.012 0.000 1.150 65 E HN 2.476 nan 8.360 nan 0.000 0.362 66 P HA 0.703 nan 4.420 nan 0.000 0.253 66 P C 0.682 177.952 177.300 -0.050 0.000 1.281 66 P CA 1.494 64.567 63.100 -0.044 0.000 0.792 66 P CB -0.255 31.414 31.700 -0.052 0.000 1.193 67 V N -1.405 118.478 119.914 -0.051 0.000 2.221 67 V HA 0.737 4.768 4.120 -0.148 0.000 0.258 67 V C 0.783 176.845 176.094 -0.053 0.000 1.179 67 V CA 0.702 62.969 62.300 -0.056 0.000 1.022 67 V CB -0.151 31.636 31.823 -0.059 0.000 1.228 67 V HN 0.317 nan 8.190 nan 0.000 0.487 68 S N 2.630 118.290 115.700 -0.067 0.000 2.865 68 S HA 0.511 4.892 4.470 -0.148 0.000 0.229 68 S C 0.598 175.099 174.600 -0.164 0.000 0.759 68 S CA 0.468 58.615 58.200 -0.088 0.000 1.142 68 S CB -0.166 63.013 63.200 -0.035 0.000 1.380 68 S HN 1.573 nan 8.310 nan 0.000 0.525 69 G N 0.872 109.592 108.800 -0.132 0.000 4.873 69 G HA2 0.661 4.532 3.960 -0.148 0.000 0.314 69 G HA3 0.661 4.532 3.960 -0.148 0.000 0.314 69 G C -0.103 174.723 174.900 -0.123 0.000 1.426 69 G CA 0.578 45.589 45.100 -0.148 0.000 1.136 69 G HN 1.278 nan 8.290 nan 0.000 0.589 70 S N -0.872 114.750 115.700 -0.130 0.000 2.653 70 S HA 0.780 5.161 4.470 -0.148 0.000 0.268 70 S C 0.851 175.395 174.600 -0.095 0.000 1.153 70 S CA 0.017 58.159 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 1.930 nan 8.310 nan 0.000 0.466 71 L N -0.523 120.648 121.223 -0.087 0.000 3.370 71 L HA 0.234 4.485 4.340 -0.148 0.000 0.308 71 L C 1.590 178.408 176.870 -0.086 0.000 4.222 71 L CA 2.660 57.458 54.840 -0.070 0.000 1.163 71 L CB -2.306 39.725 42.059 -0.047 0.000 3.373 71 L HN 2.717 nan 8.230 nan 0.000 0.809 72 L N -5.348 115.812 121.223 -0.104 0.000 2.933 72 L HA 0.748 4.999 4.340 -0.148 0.000 0.271 72 L C 0.842 177.628 176.870 -0.140 0.000 1.071 72 L CA 0.313 55.087 54.840 -0.110 0.000 0.938 72 L CB 0.020 42.074 42.059 -0.007 0.000 1.534 72 L HN 1.009 nan 8.230 nan 0.000 0.396 73 Y N 0.575 120.855 120.300 -0.033 0.000 2.200 73 Y HA 0.347 4.809 4.550 -0.147 0.000 0.290 73 Y C 1.893 177.771 175.900 -0.037 0.000 1.137 73 Y CA 2.320 60.395 58.100 -0.042 0.000 1.163 73 Y CB 0.410 38.840 38.460 -0.050 0.000 0.988 73 Y HN 1.026 nan 8.280 nan 0.000 0.518 74 G N -1.721 107.156 108.800 0.128 0.000 4.820 74 G HA2 0.041 3.912 3.960 -0.148 0.000 0.223 74 G HA3 0.041 3.912 3.960 -0.148 0.000 0.223 74 G C -0.752 174.185 174.900 0.061 0.000 1.029 74 G CA -0.300 44.844 45.100 0.073 0.000 1.144 74 G HN 0.375 nan 8.290 nan 0.000 0.618 75 N N -0.624 118.110 118.700 0.056 0.000 2.416 75 N HA 0.506 5.157 4.740 -0.148 0.000 0.265 75 N C 0.800 176.331 175.510 0.035 0.000 1.195 75 N CA 0.846 53.923 53.050 0.044 0.000 0.943 75 N CB 0.075 38.585 38.487 0.039 0.000 1.115 75 N HN 1.015 nan 8.380 nan 0.000 0.481 76 N N 0.492 119.215 118.700 0.039 0.000 2.218 76 N HA 0.557 5.208 4.740 -0.148 0.000 0.224 76 N C 1.428 176.961 175.510 0.039 0.000 1.248 76 N CA 1.046 54.119 53.050 0.038 0.000 0.875 76 N CB -0.387 38.127 38.487 0.045 0.000 1.165 76 N HN 2.228 nan 8.380 nan 0.000 0.485 77 I N -0.520 120.073 120.570 0.038 0.000 6.835 77 I HA 0.041 4.122 4.170 -0.148 0.000 0.126 77 I C 0.766 176.912 176.117 0.049 0.000 1.824 77 I CA 0.294 61.616 61.300 0.036 0.000 2.065 77 I CB -2.992 35.026 38.000 0.028 0.000 3.539 77 I HN 1.497 nan 8.210 nan 0.000 0.178 78 I N 3.028 123.636 120.570 0.062 0.000 2.421 78 I HA 0.989 5.070 4.170 -0.148 0.000 0.291 78 I C 1.545 177.728 176.117 0.110 0.000 1.089 78 I CA 0.845 62.200 61.300 0.092 0.000 1.354 78 I CB -0.374 37.678 38.000 0.087 0.000 1.413 78 I HN 3.033 nan 8.210 nan 0.000 0.513 79 T N 3.086 117.704 114.554 0.106 0.000 0.541 79 T HA 0.490 4.751 4.350 -0.148 0.000 0.774 79 T C 0.658 175.383 174.700 0.041 0.000 0.992 79 T CA 0.386 62.529 62.100 0.071 0.000 4.077 79 T CB -1.377 67.537 68.868 0.078 0.000 2.303 79 T HN 3.032 nan 8.240 nan 0.000 0.398 80 G N -0.211 108.603 108.800 0.023 0.000 2.719 80 G HA2 0.888 4.759 3.960 -0.148 0.000 0.284 80 G HA3 0.888 4.759 3.960 -0.148 0.000 0.284 80 G C 0.215 175.120 174.900 0.008 0.000 1.488 80 G CA 1.520 46.629 45.100 0.015 0.000 1.139 80 G HN 2.823 nan 8.290 nan 0.000 0.552 81 A N 0.561 123.385 122.820 0.007 0.000 1.745 81 A HA 0.426 4.657 4.320 -0.148 0.000 0.374 81 A C 1.343 178.930 177.584 0.005 0.000 0.861 81 A CA 0.811 52.851 52.037 0.005 0.000 0.509 81 A CB -1.686 17.316 19.000 0.004 0.000 2.176 81 A HN 2.906 nan 8.150 nan 0.000 0.304 82 V N 1.060 120.978 119.914 0.008 0.000 4.868 82 V HA 0.451 4.482 4.120 -0.148 0.000 0.274 82 V C 1.480 177.577 176.094 0.006 0.000 0.450 82 V CA 2.874 65.179 62.300 0.009 0.000 0.773 82 V CB -2.952 28.874 31.823 0.006 0.000 0.704 82 V HN 2.938 nan 8.190 nan 0.000 1.326 83 V N -4.743 115.178 119.914 0.011 0.000 3.775 83 V HA 0.378 4.409 4.120 -0.148 0.000 0.537 83 V C -0.191 175.889 176.094 -0.024 0.000 0.682 83 V CA 1.317 63.622 62.300 0.007 0.000 2.100 83 V CB -1.302 30.528 31.823 0.012 0.000 2.498 83 V HN 2.384 nan 8.190 nan 0.000 0.519 84 P HA 0.887 nan 4.420 nan 0.000 0.276 84 P C 0.528 177.770 177.300 -0.097 0.000 1.230 84 P CA 2.058 65.094 63.100 -0.107 0.000 0.776 84 P CB 1.106 32.663 31.700 -0.237 0.000 0.888 85 S N -0.110 115.548 115.700 -0.069 0.000 2.786 85 S HA 0.522 4.903 4.470 -0.148 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 -0.054 0.000 1.099 85 S CB -0.449 62.730 63.200 -0.034 0.000 0.936 85 S HN 0.902 nan 8.310 nan 0.000 0.450 86 S N 1.052 116.730 115.700 -0.036 0.000 2.474 86 S HA 0.683 5.064 4.470 -0.148 0.000 0.276 86 S C 0.064 174.645 174.600 -0.030 0.000 1.227 86 S CA 0.429 58.612 58.200 -0.027 0.000 1.050 86 S CB -0.568 62.621 63.200 -0.019 0.000 0.939 86 S HN 1.472 nan 8.310 nan 0.000 0.490 93 F N -0.312 119.604 119.950 -0.056 0.000 2.197 93 F HA 0.039 4.477 4.527 -0.148 0.000 0.364 93 F C -0.119 175.528 175.800 -0.254 0.000 1.124 93 F CA 1.798 59.764 58.000 -0.057 0.000 1.235 93 F CB -3.142 35.903 39.000 0.074 0.000 1.829 93 F HN 0.732 nan 8.300 nan 0.000 0.763 94 Y N -0.031 120.053 120.300 -0.359 0.000 2.531 94 Y HA 0.785 5.246 4.550 -0.148 0.000 0.096 94 Y C -0.026 175.397 175.900 -0.796 0.000 0.947 94 Y CA 1.058 58.862 58.100 -0.494 0.000 1.822 94 Y CB -0.155 38.122 38.460 -0.305 0.000 1.139 94 Y HN 1.068 nan 8.280 nan 0.000 0.205 95 P HA 0.447 nan 4.420 nan 0.000 0.222 95 P C 0.044 177.013 177.300 -0.552 0.000 1.153 95 P CA 2.578 65.388 63.100 -0.482 0.000 0.798 95 P CB -0.597 30.971 31.700 -0.221 0.000 0.796 96 I N -2.453 117.863 120.570 -0.424 0.000 2.460 96 I HA 0.591 4.672 4.170 -0.148 0.000 0.277 96 I C 0.977 176.994 176.117 -0.166 0.000 1.057 96 I CA -1.223 59.923 61.300 -0.258 0.000 1.179 96 I CB -1.105 36.836 38.000 -0.098 0.000 1.329 96 I HN 0.339 nan 8.210 nan 0.000 0.478 97 W N 2.992 124.295 121.300 0.005 0.000 2.355 97 W HA 0.195 4.764 4.660 -0.152 0.000 0.309 97 W C 1.802 178.323 176.519 0.003 0.000 1.206 97 W CA 2.924 60.268 57.345 -0.001 0.000 1.284 97 W CB -0.271 29.189 29.460 -0.000 0.000 1.145 97 W HN 1.123 nan 8.180 nan 0.000 0.502 98 E N -0.653 119.689 120.200 0.236 0.000 3.180 98 E HA -0.245 4.016 4.350 -0.148 0.000 0.321 98 E C 1.240 177.914 176.600 0.123 0.000 1.452 98 E CA 2.225 58.706 56.400 0.136 0.000 1.710 98 E CB -2.024 27.732 29.700 0.093 0.000 1.867 98 E HN 1.369 nan 8.360 nan 0.000 0.513 99 A N -2.137 120.734 122.820 0.086 0.000 5.065 99 A HA 0.045 4.276 4.320 -0.148 0.000 0.353 99 A C 2.145 179.756 177.584 0.044 0.000 1.666 99 A CA 4.453 56.526 52.037 0.060 0.000 0.694 99 A CB -1.958 17.078 19.000 0.059 0.000 1.495 99 A HN 2.805 nan 8.150 nan 0.000 0.410 100 A N -3.491 119.351 122.820 0.037 0.000 1.949 100 A HA 0.858 5.089 4.320 -0.148 0.000 0.200 100 A C 1.900 179.498 177.584 0.025 0.000 2.254 100 A CA 2.505 54.554 52.037 0.021 0.000 1.206 100 A CB -0.561 18.440 19.000 0.000 0.000 1.110 100 A HN 2.764 nan 8.150 nan 0.000 0.628 101 S N -2.929 112.770 115.700 -0.001 0.000 7.068 101 S HA 0.443 4.824 4.470 -0.148 0.000 0.060 101 S C 1.569 176.115 174.600 -0.090 0.000 1.412 101 S CA 1.229 59.422 58.200 -0.012 0.000 1.149 101 S CB -0.996 62.205 63.200 0.001 0.000 1.418 101 S HN 1.636 nan 8.310 nan 0.000 0.543 102 L N 1.682 122.856 121.223 -0.082 0.000 2.477 102 L HA 0.606 4.857 4.340 -0.148 0.000 0.220 102 L C 2.048 178.846 176.870 -0.121 0.000 1.106 102 L CA 2.078 56.848 54.840 -0.115 0.000 0.851 102 L CB -1.908 40.104 42.059 -0.079 0.000 0.994 102 L HN 0.924 nan 8.230 nan 0.000 0.462 103 D N -0.597 119.749 120.400 -0.089 0.000 2.355 103 D HA 0.263 4.814 4.640 -0.148 0.000 0.218 103 D C 1.908 178.154 176.300 -0.089 0.000 1.004 103 D CA 1.465 55.418 54.000 -0.078 0.000 0.880 103 D CB -0.104 40.667 40.800 -0.049 0.000 0.911 103 D HN 0.779 nan 8.370 nan 0.000 0.528 104 E N -1.456 118.672 120.200 -0.119 0.000 2.127 104 E HA 0.245 4.506 4.350 -0.148 0.000 0.191 104 E C 2.179 178.642 176.600 -0.228 0.000 0.964 104 E CA 0.849 57.178 56.400 -0.118 0.000 0.832 104 E CB -1.430 28.235 29.700 -0.059 0.000 0.790 104 E HN 1.132 nan 8.360 nan 0.000 0.465 105 W N 0.057 121.114 121.300 -0.405 0.000 2.937 105 W HA 0.541 5.112 4.660 -0.148 0.000 0.245 105 W C 2.052 178.397 176.519 -0.290 0.000 1.306 105 W CA 1.298 58.316 57.345 -0.546 0.000 1.470 105 W CB -0.676 28.327 29.460 -0.761 0.000 1.132 105 W HN 0.739 nan 8.180 nan 0.000 0.675 106 L N -0.988 120.118 121.223 -0.196 0.000 2.928 106 L HA 0.634 4.885 4.340 -0.148 0.000 0.246 106 L C 0.191 177.005 176.870 -0.093 0.000 1.239 106 L CA 0.142 54.904 54.840 -0.129 0.000 1.035 106 L CB -1.887 40.105 42.059 -0.111 0.000 1.360 106 L HN 0.941 nan 8.230 nan 0.000 0.529 107 Y N -2.230 118.018 120.300 -0.086 0.000 2.421 107 Y HA 0.693 5.154 4.550 -0.148 0.000 0.339 107 Y C 0.802 176.685 175.900 -0.028 0.000 0.996 107 Y CA -0.411 57.658 58.100 -0.052 0.000 1.046 107 Y CB 0.053 38.487 38.460 -0.043 0.000 1.226 107 Y HN 1.735 nan 8.280 nan 0.000 0.445 108 N N -0.244 118.446 118.700 -0.015 0.000 1.191 108 N HA -0.112 4.539 4.740 -0.148 0.000 0.120 108 N C 2.144 177.668 175.510 0.022 0.000 0.826 108 N CA 2.680 55.737 53.050 0.010 0.000 0.876 108 N CB -1.443 37.061 38.487 0.027 0.000 1.050 108 N HN 2.410 nan 8.380 nan 0.000 0.603 109 G N -1.127 107.709 108.800 0.059 0.000 2.446 109 G HA2 0.365 4.236 3.960 -0.148 0.000 0.217 109 G HA3 0.365 4.236 3.960 -0.148 0.000 0.217 109 G C 2.243 177.211 174.900 0.113 0.000 1.168 109 G CA 3.120 48.287 45.100 0.110 0.000 0.771 109 G HN 2.765 nan 8.290 nan 0.000 0.551 110 G N 0.040 108.886 108.800 0.077 0.000 2.620 110 G HA2 -0.212 3.659 3.960 -0.148 0.000 0.315 110 G HA3 -0.212 3.659 3.960 -0.148 0.000 0.315 110 G C 0.059 175.024 174.900 0.109 0.000 1.179 110 G CA 1.684 46.783 45.100 -0.001 0.000 0.971 110 G HN 0.975 nan 8.290 nan 0.000 0.544 111 P HA 0.244 nan 4.420 nan 0.000 0.229 111 P C 1.716 179.159 177.300 0.238 0.000 1.160 111 P CA 2.040 65.269 63.100 0.216 0.000 0.777 111 P CB -0.236 31.537 31.700 0.122 0.000 0.814 112 Y N -0.449 119.912 120.300 0.101 0.000 2.439 112 Y HA -0.077 4.385 4.550 -0.146 0.000 0.292 112 Y C 2.945 178.879 175.900 0.058 0.000 1.130 112 Y CA 2.105 60.262 58.100 0.094 0.000 1.254 112 Y CB -0.383 38.139 38.460 0.103 0.000 1.000 112 Y HN 0.262 nan 8.280 nan 0.000 0.554 113 Q N -0.088 119.772 119.800 0.099 0.000 2.224 113 Q HA -0.054 4.197 4.340 -0.148 0.000 0.203 113 Q C 2.120 178.016 176.000 -0.173 0.000 0.970 113 Q CA 1.919 57.705 55.803 -0.029 0.000 0.865 113 Q CB -1.407 27.341 28.738 0.016 0.000 0.922 113 Q HN 0.625 nan 8.270 nan 0.000 0.445 114 L N -0.826 120.304 121.223 -0.154 0.000 2.298 114 L HA 0.492 4.743 4.340 -0.148 0.000 0.209 114 L C 2.978 179.438 176.870 -0.683 0.000 1.084 114 L CA 1.592 56.229 54.840 -0.339 0.000 0.816 114 L CB -1.439 40.533 42.059 -0.146 0.000 0.967 114 L HN 0.815 nan 8.230 nan 0.000 0.460 115 I N -0.475 119.819 120.570 -0.460 0.000 2.353 115 I HA 0.115 4.196 4.170 -0.148 0.000 0.248 115 I C 2.776 178.363 176.117 -0.883 0.000 1.119 115 I CA 2.329 63.292 61.300 -0.562 0.000 1.417 115 I CB -1.393 36.438 38.000 -0.281 0.000 1.078 115 I HN 0.654 nan 8.210 nan 0.000 0.421 116 I N -0.247 119.897 120.570 -0.712 0.000 2.394 116 I HA 0.072 4.153 4.170 -0.148 0.000 0.251 116 I C 2.865 178.841 176.117 -0.235 0.000 1.136 116 I CA 2.484 63.534 61.300 -0.417 0.000 1.425 116 I CB -2.136 35.675 38.000 -0.315 0.000 1.079 116 I HN 0.872 nan 8.210 nan 0.000 0.425 117 F N -0.513 119.238 119.950 -0.331 0.000 2.407 117 F HA -0.090 4.348 4.527 -0.148 0.000 0.299 117 F C 2.312 178.041 175.800 -0.118 0.000 1.097 117 F CA 1.743 59.624 58.000 -0.198 0.000 1.422 117 F CB -1.299 37.567 39.000 -0.224 0.000 1.067 117 F HN 0.641 nan 8.300 nan 0.000 0.539 118 H N -1.883 117.055 119.070 -0.219 0.000 2.525 118 H HA 0.104 4.564 4.556 -0.160 0.000 0.275 118 H C 2.047 177.307 175.328 -0.114 0.000 0.984 118 H CA 0.294 56.221 56.048 -0.200 0.000 1.264 118 H CB -0.829 28.762 29.762 -0.284 0.000 1.432 118 H HN 0.615 nan 8.280 nan 0.000 0.549 119 F N 0.434 120.425 119.950 0.069 0.000 2.259 119 F HA -0.074 4.388 4.527 -0.109 0.000 0.298 119 F C 2.843 178.650 175.800 0.011 0.000 1.088 119 F CA 0.559 58.576 58.000 0.028 0.000 1.358 119 F CB -0.097 38.914 39.000 0.019 0.000 1.040 119 F HN 0.145 nan 8.300 nan 0.000 0.505 120 L N -0.130 121.205 121.223 0.187 0.000 2.341 120 L HA 0.160 4.411 4.340 -0.148 0.000 0.214 120 L C 2.414 179.330 176.870 0.078 0.000 1.115 120 L CA 1.596 56.499 54.840 0.105 0.000 0.820 120 L CB -1.915 40.191 42.059 0.078 0.000 0.944 120 L HN 0.236 nan 8.230 nan 0.000 0.452 121 L N -1.384 119.891 121.223 0.087 0.000 2.354 121 L HA 0.532 4.783 4.340 -0.148 0.000 0.212 121 L C 2.633 179.533 176.870 0.050 0.000 1.091 121 L CA 1.726 56.602 54.840 0.061 0.000 0.828 121 L CB -1.561 40.538 42.059 0.066 0.000 0.973 121 L HN 0.476 nan 8.230 nan 0.000 0.461 122 G N -1.147 107.699 108.800 0.078 0.000 2.426 122 G HA2 0.149 4.020 3.960 -0.148 0.000 0.214 122 G HA3 0.149 4.020 3.960 -0.148 0.000 0.214 122 G C 1.849 176.782 174.900 0.055 0.000 1.156 122 G CA 1.239 46.379 45.100 0.065 0.000 0.802 122 G HN 0.801 nan 8.290 nan 0.000 0.534 123 A N 0.869 123.730 122.820 0.067 0.000 1.968 123 A HA 0.328 4.559 4.320 -0.148 0.000 0.217 123 A C 2.759 180.349 177.584 0.010 0.000 1.169 123 A CA 2.180 54.231 52.037 0.024 0.000 0.638 123 A CB -0.750 18.253 19.000 0.005 0.000 0.812 123 A HN 0.568 nan 8.150 nan 0.000 0.446 124 S N -0.805 114.908 115.700 0.021 0.000 2.428 124 S HA 0.014 4.395 4.470 -0.148 0.000 0.230 124 S C 2.031 176.638 174.600 0.011 0.000 1.014 124 S CA 1.609 59.817 58.200 0.014 0.000 0.957 124 S CB -1.151 62.060 63.200 0.019 0.000 0.784 124 S HN 0.985 nan 8.310 nan 0.000 0.499 125 C N -0.107 119.200 119.300 0.013 0.000 2.533 125 C HA 0.490 4.861 4.460 -0.148 0.000 0.272 125 C C 2.561 177.553 174.990 0.003 0.000 1.371 125 C CA 1.227 60.249 59.018 0.006 0.000 1.758 125 C CB -1.474 26.268 27.740 0.004 0.000 1.972 125 C HN 0.751 nan 8.230 nan 0.000 0.522 126 Y N -1.164 119.138 120.300 0.004 0.000 2.561 126 Y HA 0.324 4.785 4.550 -0.148 0.000 0.291 126 Y C 2.519 178.418 175.900 -0.003 0.000 1.141 126 Y CA 2.463 60.562 58.100 -0.001 0.000 1.303 126 Y CB -0.829 37.629 38.460 -0.004 0.000 1.015 126 Y HN 0.655 nan 8.280 nan 0.000 0.547 127 M N -0.684 118.916 119.600 0.000 0.000 2.538 127 M HA 0.416 4.807 4.480 -0.148 0.000 0.259 127 M C 2.296 178.602 176.300 0.010 0.000 1.217 127 M CA 1.240 56.543 55.300 0.004 0.000 1.131 127 M CB -0.997 31.605 32.600 0.002 0.000 1.382 127 M HN 0.471 nan 8.290 nan 0.000 0.520 128 G N 0.324 109.128 108.800 0.007 0.000 2.408 128 G HA2 0.177 4.048 3.960 -0.148 0.000 0.215 128 G HA3 0.177 4.048 3.960 -0.148 0.000 0.215 128 G C 1.651 176.552 174.900 0.003 0.000 1.156 128 G CA 1.526 46.630 45.100 0.007 0.000 0.793 128 G HN 0.856 nan 8.290 nan 0.000 0.535 129 R N -0.558 119.942 120.500 0.000 0.000 2.200 129 R HA 0.370 4.621 4.340 -0.148 0.000 0.208 129 R C 2.521 178.819 176.300 -0.003 0.000 1.033 129 R CA 1.713 57.811 56.100 -0.003 0.000 1.000 129 R CB -1.382 28.915 30.300 -0.004 0.000 0.906 129 R HN 0.577 nan 8.270 nan 0.000 0.462 130 Q N -1.850 117.950 119.800 -0.000 0.000 2.187 130 Q HA -0.006 4.245 4.340 -0.148 0.000 0.199 130 Q C 2.440 178.441 176.000 0.002 0.000 0.957 130 Q CA 1.698 57.501 55.803 0.001 0.000 0.857 130 Q CB -1.228 27.513 28.738 0.005 0.000 0.929 130 Q HN 1.197 nan 8.270 nan 0.000 0.453 131 W N 0.108 121.410 121.300 0.004 0.000 3.256 131 W HA 0.536 5.107 4.660 -0.148 0.000 0.269 131 W C 1.809 178.320 176.519 -0.014 0.000 1.310 131 W CA 1.335 58.680 57.345 -0.000 0.000 1.673 131 W CB -0.207 29.261 29.460 0.013 0.000 1.115 131 W HN 0.771 nan 8.180 nan 0.000 0.686 132 E N -0.853 119.340 120.200 -0.012 0.000 2.372 132 E HA 0.406 4.667 4.350 -0.148 0.000 0.201 132 E C 1.653 178.242 176.600 -0.018 0.000 0.938 132 E CA 0.788 57.178 56.400 -0.017 0.000 0.944 132 E CB -0.388 29.305 29.700 -0.012 0.000 0.937 132 E HN 1.059 nan 8.360 nan 0.000 0.495 133 L N -0.173 121.042 121.223 -0.015 0.000 2.912 133 L HA 0.872 5.123 4.340 -0.148 0.000 0.240 133 L C 1.863 178.723 176.870 -0.016 0.000 1.262 133 L CA 1.213 56.044 54.840 -0.014 0.000 1.058 133 L CB -0.776 41.277 42.059 -0.010 0.000 1.383 133 L HN 0.631 nan 8.230 nan 0.000 0.512 134 S N -2.984 112.703 115.700 -0.022 0.000 3.084 134 S HA 0.340 4.721 4.470 -0.148 0.000 0.262 134 S C 1.847 176.423 174.600 -0.040 0.000 1.081 134 S CA 1.391 59.576 58.200 -0.026 0.000 0.855 134 S CB -0.169 63.019 63.200 -0.021 0.000 0.857 134 S HN 1.295 nan 8.310 nan 0.000 0.449 135 Y N 0.973 121.243 120.300 -0.051 0.000 2.397 135 Y HA 0.467 4.928 4.550 -0.148 0.000 0.292 135 Y C 2.821 178.689 175.900 -0.053 0.000 1.115 135 Y CA 1.654 59.713 58.100 -0.068 0.000 1.208 135 Y CB -1.065 37.343 38.460 -0.086 0.000 1.046 135 Y HN 0.627 nan 8.280 nan 0.000 0.552 136 R N 0.187 120.663 120.500 -0.040 0.000 2.210 136 R HA 0.351 4.602 4.340 -0.148 0.000 0.203 136 R C 2.258 178.542 176.300 -0.027 0.000 1.010 136 R CA 1.267 57.347 56.100 -0.032 0.000 1.008 136 R CB -1.561 28.723 30.300 -0.027 0.000 0.923 136 R HN 1.133 nan 8.270 nan 0.000 0.469 137 L N -1.391 119.817 121.223 -0.026 0.000 2.270 137 L HA 0.600 4.851 4.340 -0.148 0.000 0.210 137 L C 1.934 178.790 176.870 -0.022 0.000 1.104 137 L CA 1.818 56.646 54.840 -0.021 0.000 0.804 137 L CB -0.693 41.355 42.059 -0.018 0.000 0.937 137 L HN 0.739 nan 8.230 nan 0.000 0.450 138 G N -3.105 105.678 108.800 -0.028 0.000 3.420 138 G HA2 0.605 4.476 3.960 -0.148 0.000 0.142 138 G HA3 0.605 4.476 3.960 -0.148 0.000 0.142 138 G C -0.064 174.813 174.900 -0.038 0.000 1.209 138 G CA 0.846 45.929 45.100 -0.029 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 -0.041 0.000 2.380 139 M HA 0.898 5.289 4.480 -0.148 0.000 0.202 139 M C -0.469 175.798 176.300 -0.054 0.000 0.975 139 M CA 0.565 55.832 55.300 -0.055 0.000 0.971 139 M CB 0.468 33.039 32.600 -0.049 0.000 2.685 139 M HN 1.876 nan 8.290 nan 0.000 0.431 140 R N 1.455 121.913 120.500 -0.070 0.000 3.033 140 R HA 0.833 5.084 4.340 -0.148 0.000 0.236 140 R C -2.288 173.958 176.300 -0.091 0.000 1.774 140 R CA -0.051 56.015 56.100 -0.056 0.000 1.401 140 R CB -0.956 29.329 30.300 -0.024 0.000 1.539 140 R HN 1.687 nan 8.270 nan 0.000 0.618 141 P HA 0.608 nan 4.420 nan 0.000 0.274 141 P C 0.225 177.421 177.300 -0.174 0.000 1.231 141 P CA 0.543 63.414 63.100 -0.382 0.000 0.790 141 P CB 0.115 31.354 31.700 -0.768 0.000 0.951 142 W N -1.435 119.866 121.300 0.001 0.000 2.518 142 W HA -0.324 4.244 4.660 -0.154 0.000 0.196 142 W C 1.835 178.356 176.519 0.003 0.000 0.669 142 W CA 1.807 59.155 57.345 0.004 0.000 0.790 142 W CB -2.196 27.268 29.460 0.006 0.000 1.078 142 W HN 1.467 nan 8.180 nan 0.000 0.399 143 I N -2.468 118.279 120.570 0.294 0.000 4.586 143 I HA -0.316 3.765 4.170 -0.148 0.000 0.195 143 I C 1.556 177.731 176.117 0.097 0.000 1.533 143 I CA 4.259 65.648 61.300 0.148 0.000 1.320 143 I CB -2.653 35.416 38.000 0.115 0.000 2.386 143 I HN 1.613 nan 8.210 nan 0.000 0.279 144 C N -1.673 117.694 119.300 0.111 0.000 2.735 144 C HA 0.785 5.156 4.460 -0.148 0.000 0.444 144 C C 2.702 177.732 174.990 0.065 0.000 1.331 144 C CA 1.614 60.672 59.018 0.067 0.000 2.225 144 C CB -0.345 27.428 27.740 0.056 0.000 2.917 144 C HN 2.126 nan 8.230 nan 0.000 0.567 145 V N 0.405 120.382 119.914 0.106 0.000 2.719 145 V HA 0.348 4.379 4.120 -0.148 0.000 0.252 145 V C 2.506 178.647 176.094 0.079 0.000 1.065 145 V CA 2.749 65.107 62.300 0.096 0.000 1.086 145 V CB -0.747 31.160 31.823 0.141 0.000 0.700 145 V HN 0.619 nan 8.190 nan 0.000 0.467 146 A N -1.198 121.670 122.820 0.080 0.000 1.911 146 A HA 0.152 4.383 4.320 -0.148 0.000 0.212 146 A C 2.354 179.946 177.584 0.013 0.000 1.189 146 A CA 1.729 53.806 52.037 0.067 0.000 0.639 146 A CB -0.813 18.222 19.000 0.058 0.000 0.839 146 A HN 1.276 nan 8.150 nan 0.000 0.449 147 Y N -1.231 119.076 120.300 0.012 0.000 2.352 147 Y HA 0.171 4.632 4.550 -0.148 0.000 0.292 147 Y C 2.960 178.831 175.900 -0.049 0.000 1.136 147 Y CA 1.892 59.983 58.100 -0.016 0.000 1.227 147 Y CB -1.213 37.247 38.460 -0.001 0.000 0.991 147 Y HN 0.582 nan 8.280 nan 0.000 0.545 148 S N 0.324 115.998 115.700 -0.043 0.000 2.489 148 S HA 0.265 4.646 4.470 -0.148 0.000 0.228 148 S C 2.269 176.791 174.600 -0.129 0.000 0.995 148 S CA 1.001 59.160 58.200 -0.068 0.000 0.934 148 S CB -0.563 62.615 63.200 -0.037 0.000 0.771 148 S HN 1.085 nan 8.310 nan 0.000 0.522 149 A N 1.586 124.307 122.820 -0.166 0.000 2.019 149 A HA 0.307 4.538 4.320 -0.148 0.000 0.219 149 A C 0.905 178.265 177.584 -0.374 0.000 1.164 149 A CA 1.645 53.470 52.037 -0.353 0.000 0.644 149 A CB -1.322 17.374 19.000 -0.506 0.000 0.805 149 A HN 0.462 nan 8.150 nan 0.000 0.449 150 P HA 0.368 nan 4.420 nan 0.000 0.224 150 P C 1.784 178.966 177.300 -0.196 0.000 1.159 150 P CA 1.888 64.862 63.100 -0.209 0.000 0.824 150 P CB -0.240 31.374 31.700 -0.143 0.000 0.833 151 L N -0.935 120.185 121.223 -0.172 0.000 2.095 151 L HA 0.551 4.802 4.340 -0.148 0.000 0.204 151 L C 2.609 179.355 176.870 -0.206 0.000 1.080 151 L CA 2.252 56.992 54.840 -0.168 0.000 0.759 151 L CB -1.777 40.210 42.059 -0.121 0.000 0.914 151 L HN 0.317 nan 8.230 nan 0.000 0.439 152 A N -0.741 121.963 122.820 -0.194 0.000 2.302 152 A HA 0.465 4.696 4.320 -0.148 0.000 0.219 152 A C 2.453 179.889 177.584 -0.246 0.000 1.243 152 A CA 1.191 53.109 52.037 -0.197 0.000 0.856 152 A CB -0.900 18.017 19.000 -0.139 0.000 0.893 152 A HN 0.984 nan 8.150 nan 0.000 0.491 153 S N -0.231 115.299 115.700 -0.283 0.000 2.425 153 S HA 0.384 4.765 4.470 -0.148 0.000 0.225 153 S C 1.910 176.301 174.600 -0.348 0.000 1.024 153 S CA 1.175 59.197 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 -0.477 122.078 122.820 -0.441 0.000 2.085 154 A HA 0.531 4.762 4.320 -0.148 0.000 0.208 154 A C 2.153 179.029 177.584 -1.181 0.000 1.191 154 A CA 1.044 52.652 52.037 -0.714 0.000 0.799 154 A CB -0.812 17.858 19.000 -0.549 0.000 0.877 154 A HN 0.842 nan 8.150 nan 0.000 0.473 155 F N -0.514 119.002 119.950 -0.722 0.000 2.163 155 F HA 0.301 4.739 4.527 -0.148 0.000 0.297 155 F C 2.609 178.190 175.800 -0.365 0.000 1.094 155 F CA 1.497 59.150 58.000 -0.578 0.000 1.290 155 F CB -1.138 37.670 39.000 -0.320 0.000 1.017 155 F HN 0.417 nan 8.300 nan 0.000 0.483 156 A N -0.016 122.641 122.820 -0.272 0.000 2.169 156 A HA 0.372 4.603 4.320 -0.148 0.000 0.212 156 A C 2.210 179.732 177.584 -0.104 0.000 1.153 156 A CA 1.266 53.227 52.037 -0.126 0.000 0.756 156 A CB -1.238 17.704 19.000 -0.096 0.000 0.813 156 A HN 1.269 nan 8.150 nan 0.000 0.471 157 V N -1.800 117.968 119.914 -0.244 0.000 2.719 157 V HA 0.021 4.052 4.120 -0.148 0.000 0.252 157 V C 2.162 178.337 176.094 0.134 0.000 1.065 157 V CA 1.620 63.843 62.300 -0.127 0.000 1.086 157 V CB -0.923 30.741 31.823 -0.265 0.000 0.700 157 V HN 0.556 nan 8.190 nan 0.000 0.467 158 F N 0.037 120.018 119.950 0.052 0.000 2.512 158 F HA 0.089 4.569 4.527 -0.079 0.000 0.296 158 F C 2.349 178.289 175.800 0.233 0.000 1.110 158 F CA 0.929 59.037 58.000 0.180 0.000 1.446 158 F CB 0.159 39.277 39.000 0.196 0.000 1.092 158 F HN 0.324 nan 8.300 nan 0.000 0.554 159 L N -0.123 121.289 121.223 0.316 0.000 2.357 159 L HA 0.235 4.486 4.340 -0.148 0.000 0.211 159 L C 2.497 179.474 176.870 0.178 0.000 1.075 159 L CA 1.315 56.291 54.840 0.227 0.000 0.830 159 L CB -1.767 40.386 42.059 0.158 0.000 0.996 159 L HN 0.144 nan 8.230 nan 0.000 0.467 160 I N -1.672 118.996 120.570 0.163 0.000 2.439 160 I HA -0.142 3.939 4.170 -0.148 0.000 0.251 160 I C 2.587 178.812 176.117 0.180 0.000 1.139 160 I CA 2.074 63.454 61.300 0.133 0.000 1.438 160 I CB -1.275 36.783 38.000 0.097 0.000 1.085 160 I HN 0.705 nan 8.210 nan 0.000 0.427 161 Y N 1.589 121.963 120.300 0.123 0.000 2.145 161 Y HA -0.081 4.376 4.550 -0.154 0.000 0.286 161 Y C 0.872 176.844 175.900 0.119 0.000 1.145 161 Y CA 2.403 60.583 58.100 0.133 0.000 1.148 161 Y CB -1.550 37.030 38.460 0.200 0.000 0.981 161 Y HN 0.233 nan 8.280 nan 0.000 0.507 162 P HA -0.037 nan 4.420 nan 0.000 0.223 162 P C 1.449 178.701 177.300 -0.079 0.000 1.151 162 P CA 2.564 65.585 63.100 -0.132 0.000 0.787 162 P CB -1.090 30.641 31.700 0.051 0.000 0.788 163 I N -1.688 118.873 120.570 -0.016 0.000 3.444 163 I HA 0.449 4.530 4.170 -0.148 0.000 0.287 163 I C 2.131 178.238 176.117 -0.017 0.000 1.302 163 I CA 1.791 63.091 61.300 0.001 0.000 1.368 163 I CB -1.044 36.975 38.000 0.032 0.000 1.048 163 I HN 0.260 nan 8.210 nan 0.000 0.487 164 G N -1.713 107.053 108.800 -0.056 0.000 2.906 164 G HA2 0.319 4.190 3.960 -0.148 0.000 0.200 164 G HA3 0.319 4.190 3.960 -0.148 0.000 0.200 164 G C 1.472 176.324 174.900 -0.081 0.000 1.101 164 G CA 1.590 46.665 45.100 -0.041 0.000 0.760 164 G HN 0.694 nan 8.290 nan 0.000 0.694 165 Q N 0.209 119.896 119.800 -0.189 0.000 1.967 165 Q HA 0.508 4.759 4.340 -0.148 0.000 0.196 165 Q C 1.372 177.274 176.000 -0.163 0.000 0.978 165 Q CA 1.269 56.957 55.803 -0.193 0.000 0.833 165 Q CB -0.699 27.839 28.738 -0.333 0.000 0.898 165 Q HN 1.016 nan 8.270 nan 0.000 0.446 166 G N -1.379 107.279 108.800 -0.236 0.000 2.723 166 G HA2 0.532 4.403 3.960 -0.148 0.000 0.295 166 G HA3 0.532 4.403 3.960 -0.148 0.000 0.295 166 G C 0.344 175.186 174.900 -0.097 0.000 1.464 166 G CA 0.573 45.599 45.100 -0.125 0.000 1.012 166 G HN 0.862 nan 8.290 nan 0.000 0.522 167 S N 0.775 116.451 115.700 -0.040 0.000 2.720 167 S HA 0.412 4.793 4.470 -0.148 0.000 0.222 167 S C 1.625 176.244 174.600 0.030 0.000 0.958 167 S CA 0.828 59.029 58.200 0.001 0.000 0.943 167 S CB -0.740 62.470 63.200 0.017 0.000 0.779 167 S HN 1.207 nan 8.310 nan 0.000 0.526 168 F N 0.236 120.199 119.950 0.022 0.000 1.983 168 F HA 0.435 4.873 4.527 -0.148 0.000 0.298 168 F C 2.080 177.922 175.800 0.071 0.000 1.323 168 F CA 1.285 59.311 58.000 0.043 0.000 1.169 168 F CB -1.113 37.908 39.000 0.035 0.000 0.950 168 F HN 0.781 nan 8.300 nan 0.000 0.507 169 S N -1.160 114.588 115.700 0.080 0.000 2.725 169 S HA 0.341 4.722 4.470 -0.148 0.000 0.196 169 S C -0.244 174.415 174.600 0.098 0.000 0.803 169 S CA 0.451 58.726 58.200 0.124 0.000 1.452 169 S CB -1.171 62.112 63.200 0.139 0.000 1.273 169 S HN 0.727 nan 8.310 nan 0.000 0.575 170 D N 0.165 120.602 120.400 0.063 0.000 2.341 170 D HA 0.607 5.158 4.640 -0.148 0.000 0.245 170 D C 1.298 177.605 176.300 0.012 0.000 1.106 170 D CA 1.809 55.813 54.000 0.007 0.000 0.905 170 D CB 0.786 41.585 40.800 -0.002 0.000 1.202 170 D HN 0.716 nan 8.370 nan 0.000 0.426 171 G N 1.424 110.114 108.800 -0.183 0.000 2.483 171 G HA2 0.060 3.931 3.960 -0.148 0.000 0.196 171 G HA3 0.060 3.931 3.960 -0.148 0.000 0.196 171 G C 0.243 174.695 174.900 -0.746 0.000 2.335 171 G CA 0.138 44.978 45.100 -0.433 0.000 1.576 171 G HN 0.898 nan 8.290 nan 0.000 0.499 172 M N 2.188 121.564 119.600 -0.373 0.000 2.108 172 M HA 0.823 5.214 4.480 -0.148 0.000 0.347 172 M C -0.738 175.306 176.300 -0.427 0.000 1.326 172 M CA -0.307 54.781 55.300 -0.353 0.000 1.126 172 M CB -0.271 32.195 32.600 -0.223 0.000 1.606 172 M HN 1.394 nan 8.290 nan 0.000 0.462 173 P HA 0.616 nan 4.420 nan 0.000 0.264 173 P C 0.074 177.171 177.300 -0.337 0.000 1.183 173 P CA 0.555 63.500 63.100 -0.260 0.000 0.763 173 P CB -0.185 31.429 31.700 -0.144 0.000 0.807 174 L N 2.583 123.640 121.223 -0.276 0.000 2.490 174 L HA 0.557 4.808 4.340 -0.148 0.000 0.274 174 L C 2.017 178.823 176.870 -0.107 0.000 1.201 174 L CA 0.941 55.636 54.840 -0.240 0.000 0.869 174 L CB -1.080 40.921 42.059 -0.098 0.000 1.123 174 L HN 1.531 nan 8.230 nan 0.000 0.484 175 G N 1.000 109.784 108.800 -0.027 0.000 2.383 175 G HA2 0.253 4.124 3.960 -0.148 0.000 0.229 175 G HA3 0.253 4.124 3.960 -0.148 0.000 0.229 175 G C 1.597 176.502 174.900 0.007 0.000 1.089 175 G CA 1.260 46.335 45.100 -0.042 0.000 0.640 175 G HN 3.263 nan 8.290 nan 0.000 0.510 176 I N -1.161 119.453 120.570 0.074 0.000 8.192 176 I HA 0.417 4.498 4.170 -0.148 0.000 0.126 176 I C 0.402 176.625 176.117 0.176 0.000 1.847 176 I CA 1.909 63.311 61.300 0.170 0.000 2.049 176 I CB -1.542 36.708 38.000 0.416 0.000 3.776 176 I HN 2.649 nan 8.210 nan 0.000 0.173 177 S N 4.008 119.779 115.700 0.119 0.000 2.720 177 S HA 1.039 5.420 4.470 -0.148 0.000 0.278 177 S C 1.940 176.608 174.600 0.112 0.000 1.172 177 S CA 0.946 59.227 58.200 0.136 0.000 1.019 177 S CB 1.307 64.624 63.200 0.194 0.000 1.049 177 S HN 3.097 nan 8.310 nan 0.000 0.483 178 G N 1.617 110.454 108.800 0.061 0.000 3.078 178 G HA2 0.181 4.052 3.960 -0.148 0.000 0.227 178 G HA3 0.181 4.052 3.960 -0.148 0.000 0.227 178 G C 1.429 176.137 174.900 -0.321 0.000 1.306 178 G CA 1.718 46.785 45.100 -0.054 0.000 0.841 178 G HN 2.851 nan 8.290 nan 0.000 0.530 179 T N -1.665 112.805 114.554 -0.139 0.000 3.574 179 T HA 0.009 4.270 4.350 -0.148 0.000 0.406 179 T C 0.636 175.183 174.700 -0.256 0.000 0.765 179 T CA 1.599 63.620 62.100 -0.132 0.000 2.116 179 T CB -2.114 66.705 68.868 -0.081 0.000 1.724 179 T HN 1.360 nan 8.240 nan 0.000 0.738 180 F N 0.047 120.011 119.950 0.024 0.000 2.721 180 F HA 0.214 4.657 4.527 -0.140 0.000 0.301 180 F C 2.384 178.181 175.800 -0.004 0.000 1.096 180 F CA 0.789 58.799 58.000 0.017 0.000 1.308 180 F CB 0.126 39.133 39.000 0.010 0.000 1.086 180 F HN 0.655 nan 8.300 nan 0.000 0.587 181 N N 0.045 118.798 118.700 0.088 0.000 2.333 181 N HA -0.098 4.553 4.740 -0.148 0.000 0.178 181 N C 1.372 176.836 175.510 -0.076 0.000 1.018 181 N CA 0.555 53.579 53.050 -0.044 0.000 0.882 181 N CB -1.094 37.288 38.487 -0.175 0.000 0.984 181 N HN 0.333 nan 8.380 nan 0.000 0.434 182 F N 0.093 119.992 119.950 -0.084 0.000 2.769 182 F HA 0.284 4.727 4.527 -0.140 0.000 0.304 182 F C 2.317 178.076 175.800 -0.068 0.000 1.158 182 F CA 0.646 58.583 58.000 -0.106 0.000 1.398 182 F CB 0.371 39.288 39.000 -0.138 0.000 1.094 182 F HN 0.411 nan 8.300 nan 0.000 0.553 183 M N -1.006 118.682 119.600 0.145 0.000 2.279 183 M HA 0.352 4.743 4.480 -0.148 0.000 0.306 183 M C 1.189 177.539 176.300 0.083 0.000 0.965 183 M CA 1.046 56.406 55.300 0.101 0.000 1.038 183 M CB -1.205 31.456 32.600 0.103 0.000 1.636 183 M HN 0.071 nan 8.290 nan 0.000 0.574 184 I N -1.633 118.977 120.570 0.067 0.000 3.812 184 I HA 0.678 4.759 4.170 -0.148 0.000 0.292 184 I C 2.249 178.373 176.117 0.012 0.000 1.206 184 I CA 1.414 62.737 61.300 0.039 0.000 1.370 184 I CB -0.732 37.289 38.000 0.035 0.000 1.328 184 I HN 0.505 nan 8.210 nan 0.000 0.453 185 V N -0.146 119.758 119.914 -0.017 0.000 2.379 185 V HA 0.040 4.071 4.120 -0.148 0.000 0.245 185 V C 2.762 178.852 176.094 -0.007 0.000 1.044 185 V CA 2.946 65.218 62.300 -0.047 0.000 1.036 185 V CB -1.503 30.233 31.823 -0.144 0.000 0.664 185 V HN 1.167 nan 8.190 nan 0.000 0.453 186 F N 0.266 120.241 119.950 0.042 0.000 2.805 186 F HA 0.342 4.780 4.527 -0.148 0.000 0.301 186 F C 2.129 177.948 175.800 0.033 0.000 1.196 186 F CA 2.321 60.356 58.000 0.058 0.000 1.439 186 F CB -1.489 37.589 39.000 0.130 0.000 1.117 186 F HN 0.655 nan 8.300 nan 0.000 0.581 187 Q N -0.556 119.260 119.800 0.027 0.000 2.390 187 Q HA 0.453 4.704 4.340 -0.148 0.000 0.216 187 Q C 2.451 178.461 176.000 0.017 0.000 0.916 187 Q CA 1.320 57.135 55.803 0.020 0.000 0.911 187 Q CB -0.810 27.940 28.738 0.020 0.000 1.035 187 Q HN 0.920 nan 8.270 nan 0.000 0.541 188 A N 1.363 124.193 122.820 0.017 0.000 1.831 188 A HA 0.237 4.468 4.320 -0.148 0.000 0.213 188 A C 1.311 178.910 177.584 0.024 0.000 1.223 188 A CA 1.539 53.588 52.037 0.019 0.000 0.604 188 A CB -0.086 18.924 19.000 0.017 0.000 0.878 188 A HN 0.740 nan 8.150 nan 0.000 0.450 189 E N -5.143 115.073 120.200 0.027 0.000 2.442 189 E HA 0.493 4.754 4.350 -0.148 0.000 0.261 189 E C 0.158 176.788 176.600 0.051 0.000 0.935 189 E CA -0.246 56.178 56.400 0.040 0.000 0.856 189 E CB 0.225 29.952 29.700 0.045 0.000 1.571 189 E HN 1.348 nan 8.360 nan 0.000 0.431 190 H N -2.118 117.003 119.070 0.085 0.000 3.047 190 H HA -0.253 4.214 4.556 -0.148 0.000 0.263 190 H C 0.441 175.809 175.328 0.066 0.000 1.168 190 H CA 2.818 58.947 56.048 0.135 0.000 1.152 190 H CB -2.812 27.042 29.762 0.154 0.000 1.278 190 H HN 1.421 nan 8.280 nan 0.000 0.339 191 N N -3.096 115.634 118.700 0.050 0.000 2.476 191 N HA 0.602 5.253 4.740 -0.148 0.000 0.324 191 N C 1.844 177.371 175.510 0.028 0.000 1.114 191 N CA 1.852 54.919 53.050 0.029 0.000 1.978 191 N CB -1.115 37.374 38.487 0.003 0.000 2.208 191 N HN 2.629 nan 8.380 nan 0.000 1.160 192 I N -0.844 119.743 120.570 0.030 0.000 9.129 192 I HA 0.329 4.410 4.170 -0.148 0.000 0.129 192 I C 1.618 177.747 176.117 0.020 0.000 1.824 192 I CA 0.521 61.837 61.300 0.026 0.000 2.100 192 I CB -1.550 36.468 38.000 0.029 0.000 3.880 192 I HN 2.139 nan 8.210 nan 0.000 0.189 193 L N -0.047 121.187 121.223 0.019 0.000 2.562 193 L HA 0.901 5.152 4.340 -0.148 0.000 0.271 193 L C 1.473 178.350 176.870 0.013 0.000 1.167 193 L CA 1.003 55.852 54.840 0.014 0.000 0.917 193 L CB -1.067 41.002 42.059 0.015 0.000 1.187 193 L HN 2.835 nan 8.230 nan 0.000 0.482 194 M N 2.171 121.776 119.600 0.008 0.000 2.268 194 M HA 0.548 4.939 4.480 -0.148 0.000 0.349 194 M C 0.867 177.171 176.300 0.006 0.000 1.485 194 M CA 0.659 55.962 55.300 0.005 0.000 1.094 194 M CB -1.581 31.019 32.600 -0.000 0.000 1.843 194 M HN 2.460 nan 8.290 nan 0.000 0.460 195 H N 0.401 119.476 119.070 0.009 0.000 3.808 195 H HA 0.573 5.040 4.556 -0.148 0.000 0.267 195 H C -1.184 174.152 175.328 0.012 0.000 1.168 195 H CA 1.214 57.269 56.048 0.011 0.000 1.089 195 H CB -0.986 28.785 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 1.537 178.843 177.300 0.009 0.000 0.671 196 P CA 2.334 65.440 63.100 0.011 0.000 2.306 196 P CB -0.243 31.464 31.700 0.013 0.000 1.089 197 F N -1.113 118.843 119.950 0.009 0.000 2.530 197 F HA 0.374 4.812 4.527 -0.148 0.000 0.292 197 F C 2.316 178.119 175.800 0.004 0.000 1.109 197 F CA 2.041 60.046 58.000 0.009 0.000 1.450 197 F CB -1.569 37.438 39.000 0.012 0.000 1.114 197 F HN 0.593 nan 8.300 nan 0.000 0.560 198 H N -0.947 118.123 119.070 0.000 0.000 2.556 198 H HA 0.338 4.805 4.556 -0.148 0.000 0.268 198 H C 1.919 177.244 175.328 -0.006 0.000 0.996 198 H CA 1.843 57.887 56.048 -0.007 0.000 1.157 198 H CB -1.022 28.733 29.762 -0.011 0.000 1.355 198 H HN 0.755 nan 8.280 nan 0.000 0.597 199 Q N -0.407 119.392 119.800 -0.001 0.000 2.408 199 Q HA 0.519 4.770 4.340 -0.148 0.000 0.205 199 Q C 2.485 178.485 176.000 0.000 0.000 0.919 199 Q CA 1.171 56.974 55.803 0.000 0.000 0.932 199 Q CB -0.714 28.026 28.738 0.004 0.000 1.058 199 Q HN 1.027 nan 8.270 nan 0.000 0.517 200 L N -1.023 120.201 121.223 0.001 0.000 2.200 200 L HA 0.514 4.765 4.340 -0.148 0.000 0.200 200 L C 2.737 179.607 176.870 0.001 0.000 1.072 200 L CA 1.734 56.575 54.840 0.003 0.000 0.787 200 L CB -1.311 40.751 42.059 0.006 0.000 0.957 200 L HN 0.504 nan 8.230 nan 0.000 0.459 201 G N -0.809 107.990 108.800 -0.001 0.000 2.421 201 G HA2 0.141 4.012 3.960 -0.148 0.000 0.217 201 G HA3 0.141 4.012 3.960 -0.148 0.000 0.217 201 G C 1.545 176.436 174.900 -0.015 0.000 1.143 201 G CA 1.563 46.659 45.100 -0.007 0.000 0.784 201 G HN 1.054 nan 8.290 nan 0.000 0.541 202 V N 0.369 120.274 119.914 -0.015 0.000 3.041 202 V HA 0.482 4.513 4.120 -0.148 0.000 0.260 202 V C 2.602 178.689 176.094 -0.012 0.000 1.105 202 V CA 2.271 64.561 62.300 -0.017 0.000 1.125 202 V CB -0.380 31.433 31.823 -0.017 0.000 0.730 202 V HN 0.401 nan 8.190 nan 0.000 0.479 203 A N -0.326 122.490 122.820 -0.007 0.000 2.195 203 A HA 0.426 4.657 4.320 -0.148 0.000 0.210 203 A C 2.241 179.823 177.584 -0.003 0.000 1.165 203 A CA 1.247 53.282 52.037 -0.004 0.000 0.806 203 A CB -0.252 18.748 19.000 -0.001 0.000 0.847 203 A HN 0.679 nan 8.150 nan 0.000 0.482 204 G N -0.413 108.385 108.800 -0.004 0.000 2.510 204 G HA2 0.246 4.117 3.960 -0.148 0.000 0.212 204 G HA3 0.246 4.117 3.960 -0.148 0.000 0.212 204 G C 1.406 176.303 174.900 -0.006 0.000 1.151 204 G CA 1.024 46.122 45.100 -0.002 0.000 0.817 204 G HN 0.635 nan 8.290 nan 0.000 0.534 205 V N -0.028 119.878 119.914 -0.013 0.000 2.548 205 V HA 0.278 4.309 4.120 -0.148 0.000 0.249 205 V C 2.701 178.786 176.094 -0.015 0.000 1.055 205 V CA 2.637 64.926 62.300 -0.019 0.000 1.065 205 V CB -0.891 30.913 31.823 -0.030 0.000 0.681 205 V HN 0.398 nan 8.190 nan 0.000 0.462 206 F N 0.370 120.313 119.950 -0.012 0.000 2.317 206 F HA 0.372 4.810 4.527 -0.148 0.000 0.293 206 F C 2.305 178.103 175.800 -0.004 0.000 1.085 206 F CA 1.458 59.453 58.000 -0.009 0.000 1.390 206 F CB -0.815 38.179 39.000 -0.009 0.000 1.077 206 F HN 0.343 nan 8.300 nan 0.000 0.517 207 G N -0.284 108.514 108.800 -0.002 0.000 2.511 207 G HA2 0.213 4.084 3.960 -0.148 0.000 0.217 207 G HA3 0.213 4.084 3.960 -0.148 0.000 0.217 207 G C 1.783 176.687 174.900 0.007 0.000 1.133 207 G CA 1.060 46.161 45.100 0.002 0.000 0.792 207 G HN 0.825 nan 8.290 nan 0.000 0.539 208 G N 0.466 109.269 108.800 0.005 0.000 2.623 208 G HA2 0.251 4.122 3.960 -0.148 0.000 0.214 208 G HA3 0.251 4.122 3.960 -0.148 0.000 0.214 208 G C 1.696 176.602 174.900 0.010 0.000 1.138 208 G CA 1.085 46.190 45.100 0.009 0.000 0.794 208 G HN 0.500 nan 8.290 nan 0.000 0.535 209 A N -0.055 122.768 122.820 0.004 0.000 2.072 209 A HA 0.482 4.713 4.320 -0.148 0.000 0.216 209 A C 2.474 180.063 177.584 0.007 0.000 1.156 209 A CA 1.503 53.543 52.037 0.003 0.000 0.701 209 A CB -0.325 18.674 19.000 -0.002 0.000 0.816 209 A HN 0.834 nan 8.150 nan 0.000 0.458 210 L N -2.703 118.526 121.223 0.008 0.000 2.354 210 L HA 0.433 4.684 4.340 -0.148 0.000 0.212 210 L C 2.705 179.586 176.870 0.017 0.000 1.091 210 L CA 1.773 56.618 54.840 0.008 0.000 0.828 210 L CB -2.111 39.950 42.059 0.004 0.000 0.973 210 L HN 0.657 nan 8.230 nan 0.000 0.461 211 F N -1.181 118.785 119.950 0.027 0.000 2.335 211 F HA 0.094 4.532 4.527 -0.148 0.000 0.296 211 F C 2.613 178.452 175.800 0.065 0.000 1.091 211 F CA 1.391 59.420 58.000 0.048 0.000 1.399 211 F CB -1.292 37.739 39.000 0.051 0.000 1.067 211 F HN 0.607 nan 8.300 nan 0.000 0.520 212 C N 0.258 119.586 119.300 0.047 0.000 2.495 212 C HA 0.537 4.908 4.460 -0.148 0.000 0.275 212 C C 3.047 178.063 174.990 0.044 0.000 1.392 212 C CA 1.512 60.560 59.018 0.050 0.000 1.766 212 C CB -1.258 26.501 27.740 0.032 0.000 1.933 212 C HN 0.722 nan 8.230 nan 0.000 0.519 213 A N -0.212 122.626 122.820 0.030 0.000 1.968 213 A HA 0.256 4.487 4.320 -0.148 0.000 0.217 213 A C 2.539 180.135 177.584 0.019 0.000 1.169 213 A CA 2.957 55.006 52.037 0.020 0.000 0.638 213 A CB -0.668 18.339 19.000 0.010 0.000 0.812 213 A HN 1.024 nan 8.150 nan 0.000 0.446 214 M N -1.345 118.269 119.600 0.023 0.000 2.287 214 M HA 0.124 4.515 4.480 -0.148 0.000 0.266 214 M C 2.332 178.645 176.300 0.022 0.000 1.079 214 M CA 2.199 57.501 55.300 0.002 0.000 1.146 214 M CB -2.326 30.265 32.600 -0.016 0.000 1.374 214 M HN 0.933 nan 8.290 nan 0.000 0.435 215 H N -0.534 118.596 119.070 0.101 0.000 2.395 215 H HA 0.324 4.791 4.556 -0.148 0.000 0.299 215 H C 2.557 177.965 175.328 0.135 0.000 1.070 215 H CA 1.876 58.050 56.048 0.209 0.000 1.356 215 H CB -0.902 29.011 29.762 0.253 0.000 1.401 215 H HN 0.683 nan 8.280 nan 0.000 0.524 216 G N -0.946 107.901 108.800 0.078 0.000 2.813 216 G HA2 0.229 4.100 3.960 -0.148 0.000 0.209 216 G HA3 0.229 4.100 3.960 -0.148 0.000 0.209 216 G C 1.853 176.775 174.900 0.036 0.000 1.150 216 G CA 1.227 46.359 45.100 0.054 0.000 0.785 216 G HN 0.902 nan 8.290 nan 0.000 0.535 217 S N -0.342 115.374 115.700 0.028 0.000 2.475 217 S HA 0.496 4.877 4.470 -0.148 0.000 0.224 217 S C 2.290 176.891 174.600 0.002 0.000 1.042 217 S CA 0.956 59.161 58.200 0.009 0.000 0.935 217 S CB -0.328 62.870 63.200 -0.003 0.000 0.801 217 S HN 0.593 nan 8.310 nan 0.000 0.509 218 L N 0.976 122.198 121.223 -0.001 0.000 2.068 218 L HA 0.522 4.773 4.340 -0.148 0.000 0.204 218 L C 2.974 179.862 176.870 0.029 0.000 1.076 218 L CA 2.035 56.864 54.840 -0.018 0.000 0.753 218 L CB -1.843 40.159 42.059 -0.095 0.000 0.910 218 L HN 0.586 nan 8.230 nan 0.000 0.439 219 V N -0.728 119.228 119.914 0.070 0.000 2.515 219 V HA -0.019 4.012 4.120 -0.148 0.000 0.250 219 V C 2.576 178.696 176.094 0.042 0.000 1.058 219 V CA 3.146 65.490 62.300 0.074 0.000 1.064 219 V CB -1.567 30.311 31.823 0.090 0.000 0.675 219 V HN 0.700 nan 8.190 nan 0.000 0.461 220 T N -1.399 113.175 114.554 0.033 0.000 3.194 220 T HA 0.415 4.676 4.350 -0.148 0.000 0.251 220 T C 1.914 176.621 174.700 0.013 0.000 1.132 220 T CA 1.543 63.655 62.100 0.020 0.000 1.028 220 T CB -0.425 68.453 68.868 0.016 0.000 0.976 220 T HN 0.799 nan 8.240 nan 0.000 0.535 221 S N 0.097 115.804 115.700 0.012 0.000 2.388 221 S HA 0.600 4.981 4.470 -0.148 0.000 0.223 221 S C 1.232 175.836 174.600 0.007 0.000 1.034 221 S CA 1.252 59.455 58.200 0.006 0.000 0.963 221 S CB 0.024 63.224 63.200 -0.000 0.000 0.827 221 S HN 1.323 nan 8.310 nan 0.000 0.481 222 S N -1.041 114.666 115.700 0.012 0.000 2.742 222 S HA 0.626 5.007 4.470 -0.148 0.000 0.159 222 S C -0.087 174.523 174.600 0.018 0.000 0.676 222 S CA 0.131 58.338 58.200 0.012 0.000 0.897 222 S CB -1.127 62.078 63.200 0.009 0.000 1.530 222 S HN 1.524 nan 8.310 nan 0.000 0.465 223 L N 0.602 121.837 121.223 0.021 0.000 2.879 223 L HA 0.984 5.235 4.340 -0.148 0.000 0.223 223 L C 1.683 178.564 176.870 0.019 0.000 1.917 223 L CA 0.194 55.049 54.840 0.025 0.000 2.640 223 L CB -0.884 41.196 42.059 0.035 0.000 2.523 223 L HN 1.499 nan 8.230 nan 0.000 0.644 224 I N 0.121 120.702 120.570 0.019 0.000 3.784 224 I HA 0.712 4.793 4.170 -0.148 0.000 0.314 224 I C 1.328 177.452 176.117 0.012 0.000 1.401 224 I CA 1.247 62.555 61.300 0.014 0.000 1.254 224 I CB -1.594 36.414 38.000 0.014 0.000 1.165 224 I HN 1.136 nan 8.210 nan 0.000 0.420 225 R N -0.004 120.503 120.500 0.012 0.000 4.650 225 R HA 0.787 5.038 4.340 -0.148 0.000 0.128 225 R C 1.045 177.348 176.300 0.006 0.000 1.329 225 R CA 0.958 57.063 56.100 0.009 0.000 0.975 225 R CB -0.252 30.054 30.300 0.010 0.000 1.371 225 R HN 1.399 nan 8.270 nan 0.000 0.424 226 E N 1.406 121.610 120.200 0.006 0.000 3.037 226 E HA 0.611 4.872 4.350 -0.148 0.000 0.220 226 E C 0.312 176.915 176.600 0.006 0.000 1.142 226 E CA 0.103 56.505 56.400 0.004 0.000 0.888 226 E CB -0.120 29.581 29.700 0.001 0.000 1.329 226 E HN 1.103 nan 8.360 nan 0.000 0.409 227 T N -0.136 114.423 114.554 0.007 0.000 2.726 227 T HA 0.622 4.883 4.350 -0.148 0.000 0.294 227 T C 1.234 175.938 174.700 0.006 0.000 1.013 227 T CA 0.229 62.334 62.100 0.008 0.000 0.996 227 T CB -0.042 68.831 68.868 0.008 0.000 1.016 227 T HN 1.022 nan 8.240 nan 0.000 0.529 228 T N 0.518 115.076 114.554 0.006 0.000 2.822 228 T HA 0.544 4.805 4.350 -0.148 0.000 0.288 228 T C 0.990 175.694 174.700 0.006 0.000 0.991 228 T CA 1.568 63.672 62.100 0.006 0.000 1.176 228 T CB -1.650 67.221 68.868 0.005 0.000 0.951 228 T HN 2.005 nan 8.240 nan 0.000 0.526 229 E N 0.789 120.993 120.200 0.007 0.000 2.320 229 E HA 0.042 4.303 4.350 -0.148 0.000 0.234 229 E C 0.473 177.077 176.600 0.008 0.000 1.183 229 E CA 1.653 58.058 56.400 0.008 0.000 0.713 229 E CB -2.646 27.058 29.700 0.008 0.000 1.226 229 E HN 2.179 nan 8.360 nan 0.000 0.382 230 T N -1.169 113.389 114.554 0.006 0.000 3.176 230 T HA 0.736 4.997 4.350 -0.148 0.000 0.301 230 T C 1.535 176.239 174.700 0.006 0.000 1.115 230 T CA 1.632 63.736 62.100 0.006 0.000 1.027 230 T CB -0.842 68.029 68.868 0.004 0.000 1.063 230 T HN 2.190 nan 8.240 nan 0.000 0.669 231 E N 0.688 120.893 120.200 0.008 0.000 4.277 231 E HA -0.157 4.104 4.350 -0.148 0.000 0.189 231 E C 1.258 177.865 176.600 0.012 0.000 1.264 231 E CA 2.274 58.679 56.400 0.009 0.000 2.321 231 E CB -2.154 27.550 29.700 0.007 0.000 1.841 231 E HN 2.235 nan 8.360 nan 0.000 0.373 232 S N 0.671 116.376 115.700 0.009 0.000 2.510 232 S HA 0.770 5.152 4.470 -0.148 0.000 0.279 232 S C 0.351 174.961 174.600 0.017 0.000 1.284 232 S CA 0.840 59.047 58.200 0.012 0.000 1.059 232 S CB 0.435 63.634 63.200 -0.002 0.000 0.901 232 S HN 2.154 nan 8.310 nan 0.000 0.491 233 A N 2.638 125.475 122.820 0.030 0.000 2.499 233 A HA 0.851 5.082 4.320 -0.148 0.000 0.280 233 A C 0.245 177.861 177.584 0.053 0.000 1.135 233 A CA 0.424 52.480 52.037 0.032 0.000 0.744 233 A CB -0.553 18.463 19.000 0.027 0.000 1.213 233 A HN 2.684 nan 8.150 nan 0.000 0.434 234 N N 0.972 119.705 118.700 0.055 0.000 4.147 234 N HA 0.241 4.892 4.740 -0.148 0.000 0.320 234 N C -0.021 175.590 175.510 0.169 0.000 2.196 234 N CA 0.729 53.832 53.050 0.088 0.000 2.953 234 N CB -1.465 37.068 38.487 0.078 0.000 0.303 234 N HN 2.469 nan 8.380 nan 0.000 0.729 235 Y N -0.939 119.362 120.300 0.002 0.000 2.772 235 Y HA 0.259 4.721 4.550 -0.148 0.000 0.057 235 Y C 0.899 176.800 175.900 0.003 0.000 1.956 235 Y CA 2.057 60.158 58.100 0.002 0.000 1.202 235 Y CB -0.867 37.594 38.460 0.002 0.000 1.862 235 Y HN 2.877 nan 8.280 nan 0.000 0.294 236 G N 2.619 111.215 108.800 -0.341 0.000 3.035 236 G HA2 0.373 4.244 3.960 -0.148 0.000 0.674 236 G HA3 0.373 4.244 3.960 -0.148 0.000 0.674 236 G C -0.527 174.288 174.900 -0.142 0.000 1.159 236 G CA -0.293 44.610 45.100 -0.328 0.000 1.098 236 G HN 2.168 nan 8.290 nan 0.000 0.473 237 Y N 0.581 120.819 120.300 -0.103 0.000 2.569 237 Y HA 0.630 5.091 4.550 -0.148 0.000 0.332 237 Y C 1.525 177.396 175.900 -0.050 0.000 1.120 237 Y CA 1.143 59.209 58.100 -0.056 0.000 1.416 237 Y CB -0.224 38.212 38.460 -0.041 0.000 1.210 237 Y HN 2.725 nan 8.280 nan 0.000 0.528 238 K N 1.511 121.891 120.400 -0.034 0.000 9.075 238 K HA -0.002 4.229 4.320 -0.148 0.000 0.427 238 K C 2.336 178.917 176.600 -0.032 0.000 0.528 238 K CA 3.876 60.148 56.287 -0.026 0.000 1.510 238 K CB -2.461 30.027 32.500 -0.020 0.000 0.798 238 K HN 2.933 nan 8.250 nan 0.000 1.089 239 F N 0.062 119.991 119.950 -0.036 0.000 3.074 239 F HA 0.281 4.719 4.527 -0.148 0.000 0.287 239 F C 1.507 177.293 175.800 -0.023 0.000 0.932 239 F CA 1.415 59.393 58.000 -0.037 0.000 0.995 239 F CB -1.765 37.201 39.000 -0.056 0.000 0.966 239 F HN 2.494 nan 8.300 nan 0.000 0.721 252 H N -0.306 118.781 119.070 0.028 0.000 2.491 252 H HA 0.253 4.720 4.556 -0.148 0.000 0.290 252 H C 2.184 177.535 175.328 0.038 0.000 1.050 252 H CA 2.063 58.133 56.048 0.038 0.000 1.309 252 H CB -0.295 29.486 29.762 0.031 0.000 1.392 252 H HN 0.828 nan 8.280 nan 0.000 0.554 253 G N -2.140 106.676 108.800 0.026 0.000 2.777 253 G HA2 0.195 4.066 3.960 -0.148 0.000 0.211 253 G HA3 0.195 4.066 3.960 -0.148 0.000 0.211 253 G C 1.480 176.396 174.900 0.027 0.000 1.149 253 G CA 1.284 46.397 45.100 0.022 0.000 0.785 253 G HN 0.886 nan 8.290 nan 0.000 0.536 254 Y N -1.923 118.394 120.300 0.029 0.000 2.524 254 Y HA 0.438 4.899 4.550 -0.148 0.000 0.270 254 Y C 2.278 178.200 175.900 0.036 0.000 1.094 254 Y CA 0.595 58.711 58.100 0.026 0.000 1.276 254 Y CB -0.411 38.059 38.460 0.017 0.000 1.130 254 Y HN 0.349 nan 8.280 nan 0.000 0.536 255 F N 0.532 120.513 119.950 0.051 0.000 2.727 255 F HA 0.501 4.939 4.527 -0.148 0.000 0.302 255 F C 1.973 177.855 175.800 0.137 0.000 1.097 255 F CA 0.566 58.606 58.000 0.065 0.000 1.330 255 F CB -0.535 38.497 39.000 0.053 0.000 1.084 255 F HN 0.321 nan 8.300 nan 0.000 0.578 256 G N -0.672 108.215 108.800 0.144 0.000 2.744 256 G HA2 0.328 4.199 3.960 -0.148 0.000 0.211 256 G HA3 0.328 4.199 3.960 -0.148 0.000 0.211 256 G C 1.441 176.466 174.900 0.209 0.000 1.146 256 G CA 1.063 46.294 45.100 0.218 0.000 0.787 256 G HN 0.795 nan 8.290 nan 0.000 0.534 257 R N -0.712 119.862 120.500 0.123 0.000 2.508 257 R HA 0.732 4.983 4.340 -0.148 0.000 0.300 257 R C 1.608 177.942 176.300 0.057 0.000 0.970 257 R CA 0.886 57.037 56.100 0.087 0.000 1.102 257 R CB -1.083 29.242 30.300 0.041 0.000 1.246 257 R HN 0.654 nan 8.270 nan 0.000 0.539 258 L N -1.896 119.361 121.223 0.056 0.000 2.685 258 L HA 0.620 4.871 4.340 -0.148 0.000 0.235 258 L C 2.641 179.488 176.870 -0.039 0.000 1.070 258 L CA 1.266 56.102 54.840 -0.008 0.000 0.888 258 L CB -0.718 41.333 42.059 -0.012 0.000 1.203 258 L HN 0.480 nan 8.230 nan 0.000 0.499 259 I N -2.384 118.181 120.570 -0.008 0.000 2.494 259 I HA 0.251 4.332 4.170 -0.148 0.000 0.250 259 I C 2.035 178.062 176.117 -0.150 0.000 1.112 259 I CA 1.051 62.278 61.300 -0.121 0.000 1.438 259 I CB -0.939 36.920 38.000 -0.235 0.000 1.111 259 I HN 0.388 nan 8.210 nan 0.000 0.431 260 F N 1.782 121.756 119.950 0.039 0.000 2.757 260 F HA 0.471 4.908 4.527 -0.149 0.000 0.292 260 F C 1.901 177.737 175.800 0.060 0.000 1.204 260 F CA 0.454 58.493 58.000 0.065 0.000 1.417 260 F CB -1.251 37.774 39.000 0.041 0.000 1.001 260 F HN 0.553 nan 8.300 nan 0.000 0.508 261 Q N -0.712 119.160 119.800 0.118 0.000 2.930 261 Q HA 0.118 4.369 4.340 -0.148 0.000 0.329 261 Q C 1.016 177.082 176.000 0.110 0.000 1.142 261 Q CA 1.023 56.832 55.803 0.010 0.000 0.462 261 Q CB -0.989 27.631 28.738 -0.197 0.000 5.313 261 Q HN 0.594 nan 8.270 nan 0.000 0.331 262 Y N -2.291 118.027 120.300 0.030 0.000 4.782 262 Y HA -0.251 4.210 4.550 -0.148 0.000 0.273 262 Y C 1.210 177.125 175.900 0.026 0.000 0.984 262 Y CA 1.932 60.045 58.100 0.022 0.000 1.897 262 Y CB -1.663 36.807 38.460 0.016 0.000 1.230 262 Y HN 0.957 nan 8.280 nan 0.000 0.470 263 A N -3.363 119.546 122.820 0.148 0.000 1.781 263 A HA 0.644 4.875 4.320 -0.148 0.000 0.180 263 A C 1.060 178.685 177.584 0.069 0.000 1.996 263 A CA 1.128 53.225 52.037 0.100 0.000 1.576 263 A CB -0.495 18.568 19.000 0.105 0.000 1.609 263 A HN 0.968 nan 8.150 nan 0.000 0.304 264 S N -2.598 113.150 115.700 0.079 0.000 4.438 264 S HA 0.868 5.249 4.470 -0.148 0.000 0.233 264 S C 0.128 174.770 174.600 0.071 0.000 1.080 264 S CA 0.521 58.755 58.200 0.056 0.000 1.101 264 S CB -0.305 62.920 63.200 0.042 0.000 1.989 264 S HN 2.139 nan 8.310 nan 0.000 0.546 265 F N -1.259 118.726 119.950 0.058 0.000 3.394 265 F HA 0.619 5.057 4.527 -0.148 0.000 0.329 265 F C 0.974 176.746 175.800 -0.047 0.000 1.063 265 F CA 0.672 58.703 58.000 0.051 0.000 0.832 265 F CB -0.101 38.925 39.000 0.044 0.000 1.530 265 F HN 1.312 nan 8.300 nan 0.000 0.459 266 N N -0.362 118.250 118.700 -0.145 0.000 2.188 266 N HA 0.281 4.932 4.740 -0.148 0.000 0.184 266 N C 1.861 177.308 175.510 -0.106 0.000 1.018 266 N CA 3.209 56.137 53.050 -0.203 0.000 0.858 266 N CB -1.195 37.110 38.487 -0.304 0.000 0.989 266 N HN 2.750 nan 8.380 nan 0.000 0.426 267 N N -2.672 115.987 118.700 -0.068 0.000 2.713 267 N HA 0.207 4.858 4.740 -0.148 0.000 0.251 267 N C 0.445 175.929 175.510 -0.043 0.000 1.117 267 N CA 1.915 54.940 53.050 -0.042 0.000 0.770 267 N CB -2.324 36.145 38.487 -0.030 0.000 1.137 267 N HN 2.092 nan 8.380 nan 0.000 0.566 268 S N -3.500 112.166 115.700 -0.057 0.000 2.556 268 S HA 0.943 5.324 4.470 -0.148 0.000 0.280 268 S C 0.839 175.407 174.600 -0.053 0.000 1.141 268 S CA 0.933 59.105 58.200 -0.047 0.000 0.883 268 S CB 0.235 63.407 63.200 -0.046 0.000 1.103 268 S HN 1.894 nan 8.310 nan 0.000 0.453 269 R N 0.446 120.926 120.500 -0.035 0.000 2.235 269 R HA 0.602 4.853 4.340 -0.148 0.000 0.213 269 R C 1.683 177.965 176.300 -0.030 0.000 1.059 269 R CA 2.279 58.361 56.100 -0.029 0.000 0.997 269 R CB -1.266 29.025 30.300 -0.015 0.000 0.884 269 R HN 1.881 nan 8.270 nan 0.000 0.462 270 S N -0.579 115.103 115.700 -0.030 0.000 2.602 270 S HA 0.578 4.959 4.470 -0.148 0.000 0.240 270 S C 1.934 176.510 174.600 -0.041 0.000 0.992 270 S CA 0.501 58.686 58.200 -0.025 0.000 0.971 270 S CB -0.228 62.966 63.200 -0.010 0.000 0.855 270 S HN 0.759 nan 8.310 nan 0.000 0.481 271 L N -0.682 120.503 121.223 -0.062 0.000 2.240 271 L HA 0.255 4.506 4.340 -0.148 0.000 0.211 271 L C 2.475 179.289 176.870 -0.094 0.000 1.106 271 L CA 2.227 57.019 54.840 -0.081 0.000 0.793 271 L CB -2.413 39.582 42.059 -0.106 0.000 0.927 271 L HN 0.850 nan 8.230 nan 0.000 0.446 272 H N -2.798 116.213 119.070 -0.099 0.000 2.470 272 H HA 0.175 4.642 4.556 -0.148 0.000 0.289 272 H C 2.260 177.561 175.328 -0.044 0.000 1.033 272 H CA 1.991 57.985 56.048 -0.090 0.000 1.331 272 H CB -0.774 28.937 29.762 -0.084 0.000 1.414 272 H HN 1.092 nan 8.280 nan 0.000 0.545 273 F N -0.185 119.745 119.950 -0.033 0.000 2.512 273 F HA 0.351 4.789 4.527 -0.148 0.000 0.296 273 F C 2.754 178.542 175.800 -0.019 0.000 1.110 273 F CA 0.980 58.971 58.000 -0.016 0.000 1.446 273 F CB -1.437 37.560 39.000 -0.004 0.000 1.092 273 F HN 0.747 nan 8.300 nan 0.000 0.554 274 F N 0.137 120.068 119.950 -0.032 0.000 2.615 274 F HA 0.375 4.813 4.527 -0.148 0.000 0.297 274 F C 2.422 178.203 175.800 -0.031 0.000 1.124 274 F CA 1.330 59.309 58.000 -0.035 0.000 1.451 274 F CB -1.096 37.878 39.000 -0.043 0.000 1.103 274 F HN 0.524 nan 8.300 nan 0.000 0.569 275 L N -0.520 120.685 121.223 -0.031 0.000 2.249 275 L HA 0.587 4.838 4.340 -0.148 0.000 0.207 275 L C 2.569 179.434 176.870 -0.009 0.000 1.090 275 L CA 1.713 56.540 54.840 -0.021 0.000 0.802 275 L CB -1.637 40.406 42.059 -0.027 0.000 0.947 275 L HN 0.641 nan 8.230 nan 0.000 0.453 276 A N -0.642 122.173 122.820 -0.008 0.000 2.016 276 A HA 0.345 4.576 4.320 -0.148 0.000 0.217 276 A C 2.558 180.142 177.584 -0.000 0.000 1.162 276 A CA 1.513 53.550 52.037 -0.000 0.000 0.662 276 A CB -0.566 18.435 19.000 0.002 0.000 0.812 276 A HN 1.153 nan 8.150 nan 0.000 0.450 277 A N -2.331 120.487 122.820 -0.004 0.000 2.123 277 A HA 0.229 4.460 4.320 -0.148 0.000 0.214 277 A C 2.155 179.741 177.584 0.004 0.000 1.152 277 A CA 1.280 53.317 52.037 -0.001 0.000 0.728 277 A CB -1.011 17.983 19.000 -0.010 0.000 0.814 277 A HN 1.155 nan 8.150 nan 0.000 0.464 278 W N -0.694 120.605 121.300 -0.001 0.000 2.576 278 W HA 0.251 4.822 4.660 -0.148 0.000 0.270 278 W C 2.484 179.010 176.519 0.012 0.000 1.255 278 W CA 1.278 58.625 57.345 0.004 0.000 1.314 278 W CB -0.640 28.816 29.460 -0.006 0.000 1.101 278 W HN 0.582 nan 8.180 nan 0.000 0.595 279 R N 0.549 121.052 120.500 0.006 0.000 2.313 279 R HA 0.468 4.719 4.340 -0.148 0.000 0.199 279 R C 1.711 178.009 176.300 -0.003 0.000 0.958 279 R CA 1.587 57.688 56.100 0.002 0.000 1.047 279 R CB -1.333 28.966 30.300 -0.000 0.000 0.955 279 R HN 1.166 nan 8.270 nan 0.000 0.481 280 V N -2.033 117.884 119.914 0.004 0.000 3.477 280 V HA 0.674 4.705 4.120 -0.148 0.000 0.297 280 V C 1.678 177.782 176.094 0.016 0.000 1.433 280 V CA 1.072 63.366 62.300 -0.010 0.000 1.052 280 V CB 0.693 32.509 31.823 -0.012 0.000 0.895 280 V HN 0.387 nan 8.190 nan 0.000 0.438 281 V N -1.598 118.364 119.914 0.081 0.000 3.165 281 V HA 0.467 4.498 4.120 -0.148 0.000 0.231 281 V C 2.049 178.305 176.094 0.269 0.000 1.365 281 V CA 1.506 63.955 62.300 0.248 0.000 1.286 281 V CB 0.085 32.037 31.823 0.215 0.000 1.081 281 V HN 0.310 nan 8.190 nan 0.000 0.477 282 G N -0.106 108.763 108.800 0.114 0.000 2.448 282 G HA2 0.228 4.099 3.960 -0.148 0.000 0.218 282 G HA3 0.228 4.099 3.960 -0.148 0.000 0.218 282 G C 1.246 176.187 174.900 0.067 0.000 1.135 282 G CA 2.069 47.215 45.100 0.077 0.000 0.784 282 G HN 1.249 nan 8.290 nan 0.000 0.543 283 V N -1.628 118.312 119.914 0.044 0.000 3.565 283 V HA 0.415 4.446 4.120 -0.148 0.000 0.260 283 V C 2.414 178.498 176.094 -0.017 0.000 1.231 283 V CA 1.455 63.761 62.300 0.010 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 -0.821 120.463 121.300 -0.028 0.000 2.488 284 W HA 0.066 4.637 4.660 -0.148 0.000 0.304 284 W C 1.999 178.407 176.519 -0.185 0.000 1.175 284 W CA 1.303 58.556 57.345 -0.153 0.000 1.365 284 W CB -0.814 28.491 29.460 -0.259 0.000 1.131 284 W HN 0.294 nan 8.180 nan 0.000 0.520 285 F N 1.089 121.008 119.950 -0.052 0.000 2.451 285 F HA 0.187 4.641 4.527 -0.122 0.000 0.299 285 F C 2.551 178.325 175.800 -0.043 0.000 1.101 285 F CA 1.525 59.496 58.000 -0.047 0.000 1.436 285 F CB -0.690 38.285 39.000 -0.043 0.000 1.074 285 F HN 0.215 nan 8.300 nan 0.000 0.553 286 A N -0.298 122.588 122.820 0.109 0.000 1.935 286 A HA 0.175 4.406 4.320 -0.148 0.000 0.214 286 A C 2.352 179.940 177.584 0.006 0.000 1.178 286 A CA 1.096 53.164 52.037 0.052 0.000 0.640 286 A CB -0.976 18.045 19.000 0.035 0.000 0.825 286 A HN 0.235 nan 8.150 nan 0.000 0.447 287 A N -0.406 122.396 122.820 -0.029 0.000 1.929 287 A HA 0.250 4.481 4.320 -0.148 0.000 0.216 287 A C 2.320 179.856 177.584 -0.080 0.000 1.176 287 A CA 1.963 53.962 52.037 -0.064 0.000 0.628 287 A CB -0.998 17.946 19.000 -0.094 0.000 0.816 287 A HN 1.164 nan 8.150 nan 0.000 0.444 288 L N -1.138 120.031 121.223 -0.091 0.000 2.179 288 L HA 0.290 4.541 4.340 -0.148 0.000 0.208 288 L C 2.603 179.457 176.870 -0.027 0.000 1.096 288 L CA 2.068 56.851 54.840 -0.095 0.000 0.779 288 L CB -2.120 39.848 42.059 -0.152 0.000 0.922 288 L HN 0.509 nan 8.230 nan 0.000 0.443 289 G N -0.383 108.425 108.800 0.014 0.000 2.403 289 G HA2 0.064 3.935 3.960 -0.148 0.000 0.216 289 G HA3 0.064 3.935 3.960 -0.148 0.000 0.216 289 G C 1.620 176.534 174.900 0.025 0.000 1.154 289 G CA 1.954 47.079 45.100 0.041 0.000 0.784 289 G HN 0.917 nan 8.290 nan 0.000 0.538 290 I N 0.632 121.208 120.570 0.010 0.000 2.617 290 I HA 0.415 4.496 4.170 -0.148 0.000 0.256 290 I C 2.996 179.117 176.117 0.006 0.000 1.167 290 I CA 2.267 63.572 61.300 0.008 0.000 1.469 290 I CB -1.294 36.705 38.000 -0.002 0.000 1.098 290 I HN 0.409 nan 8.210 nan 0.000 0.436 291 S N 0.320 116.014 115.700 -0.010 0.000 2.395 291 S HA 0.068 4.449 4.470 -0.148 0.000 0.225 291 S C 2.269 176.894 174.600 0.041 0.000 1.027 291 S CA 1.823 60.017 58.200 -0.010 0.000 0.965 291 S CB -1.135 62.029 63.200 -0.060 0.000 0.812 291 S HN 0.855 nan 8.310 nan 0.000 0.482 292 T N -0.447 114.128 114.554 0.035 0.000 2.995 292 T HA 0.363 4.624 4.350 -0.148 0.000 0.269 292 T C 2.070 176.811 174.700 0.069 0.000 1.091 292 T CA 2.557 64.692 62.100 0.058 0.000 1.128 292 T CB -0.667 68.225 68.868 0.040 0.000 0.891 292 T HN 0.622 nan 8.240 nan 0.000 0.492 293 M N 0.412 120.047 119.600 0.059 0.000 2.501 293 M HA 0.780 5.171 4.480 -0.148 0.000 0.261 293 M C 1.934 178.279 176.300 0.075 0.000 1.129 293 M CA 0.957 56.292 55.300 0.058 0.000 1.126 293 M CB -1.051 31.574 32.600 0.043 0.000 1.359 293 M HN 0.598 nan 8.290 nan 0.000 0.471 294 A N -0.030 122.842 122.820 0.088 0.000 3.077 294 A HA 0.568 4.799 4.320 -0.148 0.000 0.255 294 A C 1.090 178.796 177.584 0.204 0.000 1.728 294 A CA 0.394 52.498 52.037 0.111 0.000 1.383 294 A CB -1.975 17.068 19.000 0.072 0.000 1.097 294 A HN 1.369 nan 8.150 nan 0.000 0.634 295 F N -0.886 119.168 119.950 0.173 0.000 2.419 295 F HA 0.310 4.748 4.527 -0.148 0.000 0.283 295 F C 1.805 177.685 175.800 0.133 0.000 1.044 295 F CA 1.467 59.577 58.000 0.183 0.000 1.376 295 F CB -0.380 38.682 39.000 0.104 0.000 1.131 295 F HN 0.697 nan 8.300 nan 0.000 0.585 296 N N -1.212 117.545 118.700 0.094 0.000 1.944 296 N HA 0.393 5.044 4.740 -0.148 0.000 0.255 296 N C 1.633 177.179 175.510 0.059 0.000 1.272 296 N CA 1.118 54.211 53.050 0.070 0.000 0.783 296 N CB -0.434 38.080 38.487 0.045 0.000 1.379 296 N HN 1.023 nan 8.380 nan 0.000 0.517 297 L N -0.335 120.921 121.223 0.056 0.000 2.049 297 L HA 0.477 4.728 4.340 -0.148 0.000 0.203 297 L C 2.098 178.996 176.870 0.046 0.000 1.074 297 L CA 3.037 57.904 54.840 0.045 0.000 0.749 297 L CB -2.261 39.821 42.059 0.039 0.000 0.907 297 L HN 1.742 nan 8.230 nan 0.000 0.439 298 N N -2.036 116.695 118.700 0.053 0.000 1.324 298 N HA 0.235 4.886 4.740 -0.148 0.000 0.111 298 N C 1.758 177.289 175.510 0.036 0.000 0.839 298 N CA 2.788 55.867 53.050 0.048 0.000 0.856 298 N CB -1.671 36.846 38.487 0.051 0.000 0.936 298 N HN 2.259 nan 8.380 nan 0.000 0.657 299 G N -4.524 104.294 108.800 0.032 0.000 3.311 299 G HA2 0.686 4.557 3.960 -0.148 0.000 0.130 299 G HA3 0.686 4.557 3.960 -0.148 0.000 0.130 299 G C 1.335 176.250 174.900 0.024 0.000 1.323 299 G CA 3.116 48.231 45.100 0.026 0.000 1.262 299 G HN 2.773 nan 8.290 nan 0.000 0.678 300 F N 0.261 120.224 119.950 0.023 0.000 2.559 300 F HA 0.039 4.477 4.527 -0.148 0.000 0.681 300 F C 2.785 178.597 175.800 0.021 0.000 0.488 300 F CA 3.393 61.406 58.000 0.022 0.000 0.759 300 F CB -1.891 37.123 39.000 0.024 0.000 1.634 300 F HN 2.597 nan 8.300 nan 0.000 0.264 301 N N -1.697 117.016 118.700 0.021 0.000 1.243 301 N HA 0.377 5.028 4.740 -0.148 0.000 0.121 301 N C 1.945 177.469 175.510 0.022 0.000 0.850 301 N CA 3.373 56.435 53.050 0.020 0.000 0.883 301 N CB -1.694 36.804 38.487 0.019 0.000 1.027 301 N HN 3.103 nan 8.380 nan 0.000 0.616 302 F N -2.165 117.799 119.950 0.023 0.000 2.562 302 F HA 0.117 4.555 4.527 -0.148 0.000 0.696 302 F C 2.686 178.501 175.800 0.026 0.000 0.486 302 F CA 5.167 63.183 58.000 0.026 0.000 0.708 302 F CB -2.343 36.675 39.000 0.030 0.000 1.600 302 F HN 3.316 nan 8.300 nan 0.000 0.266 303 N N -1.828 116.887 118.700 0.025 0.000 3.921 303 N HA 0.326 4.977 4.740 -0.148 0.000 0.220 303 N C 0.987 176.513 175.510 0.027 0.000 0.235 303 N CA 4.171 57.236 53.050 0.024 0.000 2.805 303 N CB -1.904 36.595 38.487 0.021 0.000 1.351 303 N HN 3.625 nan 8.380 nan 0.000 0.341 304 H N -2.766 116.319 119.070 0.026 0.000 3.143 304 H HA 0.980 5.447 4.556 -0.148 0.000 0.303 304 H C 1.065 176.407 175.328 0.023 0.000 1.109 304 H CA 1.252 57.316 56.048 0.027 0.000 1.494 304 H CB 0.120 29.897 29.762 0.025 0.000 2.132 304 H HN 2.014 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 0.516 4.897 4.470 -0.148 0.000 0.214 305 S C 2.533 177.141 174.600 0.013 0.000 1.032 305 S CA 2.381 60.592 58.200 0.018 0.000 1.001 305 S CB -0.806 62.405 63.200 0.019 0.000 0.953 305 S HN 2.639 nan 8.310 nan 0.000 0.430 306 V N 0.190 120.112 119.914 0.013 0.000 5.895 306 V HA 0.171 4.202 4.120 -0.148 0.000 0.172 306 V C 0.238 176.336 176.094 0.006 0.000 0.726 306 V CA 1.386 63.691 62.300 0.009 0.000 0.593 306 V CB -2.212 29.619 31.823 0.012 0.000 0.566 306 V HN 1.772 nan 8.190 nan 0.000 0.391 307 I N 2.020 122.591 120.570 0.001 0.000 2.542 307 I HA 0.871 4.952 4.170 -0.148 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 5.388 4.640 -0.148 0.000 0.280 308 D C 1.421 177.718 176.300 -0.004 0.000 1.208 308 D CA 0.570 54.567 54.000 -0.005 0.000 1.088 308 D CB 1.193 41.990 40.800 -0.004 0.000 1.149 308 D HN 1.612 nan 8.370 nan 0.000 0.596 309 A N -1.684 121.133 122.820 -0.005 0.000 1.898 309 A HA 0.374 4.605 4.320 -0.148 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 -0.004 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 0.450 4.681 4.320 -0.148 0.000 0.195 310 K C 0.996 177.596 176.600 0.000 0.000 1.058 310 K CA 1.129 57.415 56.287 -0.001 0.000 0.988 310 K CB -0.469 32.031 32.500 -0.001 0.000 0.880 310 K HN 2.075 nan 8.250 nan 0.000 0.513 311 G N -1.431 107.369 108.800 0.000 0.000 2.768 311 G HA2 0.396 4.267 3.960 -0.148 0.000 0.666 311 G HA3 0.396 4.267 3.960 -0.148 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 -1.172 117.529 118.700 0.002 0.000 2.868 312 N HA 1.046 5.697 4.740 -0.148 0.000 0.185 312 N C 0.840 176.353 175.510 0.005 0.000 1.654 312 N CA 1.308 54.360 53.050 0.003 0.000 1.278 312 N CB 0.509 38.997 38.487 0.002 0.000 0.898 312 N HN 2.283 nan 8.380 nan 0.000 0.692 313 V N -0.303 119.613 119.914 0.004 0.000 3.235 313 V HA 0.629 4.660 4.120 -0.148 0.000 0.245 313 V C 1.112 177.208 176.094 0.004 0.000 1.037 313 V CA 0.231 62.535 62.300 0.006 0.000 0.993 313 V CB -0.244 31.585 31.823 0.010 0.000 1.003 313 V HN 1.457 nan 8.190 nan 0.000 0.506 314 I N 1.716 122.286 120.570 -0.000 0.000 2.406 314 I HA 0.464 4.545 4.170 -0.148 0.000 0.249 314 I C 1.545 177.658 176.117 -0.007 0.000 1.122 314 I CA 2.306 63.601 61.300 -0.008 0.000 1.431 314 I CB -1.342 36.649 38.000 -0.015 0.000 1.087 314 I HN 2.747 nan 8.210 nan 0.000 0.424 315 N N -1.440 117.263 118.700 0.004 0.000 5.488 315 N HA 0.462 5.113 4.740 -0.148 0.000 0.373 315 N C 0.245 175.757 175.510 0.004 0.000 1.258 315 N CA 1.107 54.168 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 2.797 nan 8.380 nan 0.000 0.714 316 T N -1.711 112.866 114.554 0.039 0.000 2.676 316 T HA 0.521 4.782 4.350 -0.148 0.000 0.308 316 T C -1.519 173.296 174.700 0.191 0.000 1.740 316 T CA 0.003 62.114 62.100 0.018 0.000 0.982 316 T CB 0.337 69.194 68.868 -0.019 0.000 1.724 316 T HN 1.599 nan 8.240 nan 0.000 0.497 317 W N 2.112 123.414 121.300 0.004 0.000 2.581 317 W HA 0.570 5.142 4.660 -0.147 0.000 0.359 317 W C 0.771 177.293 176.519 0.005 0.000 1.167 317 W CA 0.342 57.690 57.345 0.004 0.000 1.517 317 W CB -0.453 29.009 29.460 0.004 0.000 1.519 317 W HN 1.221 nan 8.180 nan 0.000 0.431 318 A N 1.122 124.064 122.820 0.203 0.000 1.544 318 A HA 0.244 4.475 4.320 -0.148 0.000 0.206 318 A C 0.949 178.579 177.584 0.077 0.000 1.895 318 A CA 0.804 52.910 52.037 0.116 0.000 1.585 318 A CB -0.369 18.687 19.000 0.094 0.000 1.485 318 A HN 0.318 nan 8.150 nan 0.000 0.342 319 D N -1.476 118.970 120.400 0.078 0.000 2.292 319 D HA 0.529 5.080 4.640 -0.148 0.000 0.322 319 D C 1.513 177.848 176.300 0.058 0.000 1.087 319 D CA 1.116 55.149 54.000 0.055 0.000 0.857 319 D CB -0.512 40.315 40.800 0.044 0.000 1.445 319 D HN 1.184 nan 8.370 nan 0.000 0.528 320 I N 0.494 121.112 120.570 0.080 0.000 2.400 320 I HA 0.445 4.526 4.170 -0.148 0.000 0.248 320 I C 2.848 179.018 176.117 0.089 0.000 1.109 320 I CA 1.992 63.340 61.300 0.079 0.000 1.425 320 I CB -0.973 37.077 38.000 0.084 0.000 1.094 320 I HN 0.739 nan 8.210 nan 0.000 0.425 321 I N 0.719 121.366 120.570 0.127 0.000 3.645 321 I HA 0.224 4.305 4.170 -0.148 0.000 0.300 321 I C 2.220 178.346 176.117 0.014 0.000 1.260 321 I CA 1.806 63.168 61.300 0.103 0.000 1.365 321 I CB -2.275 35.851 38.000 0.209 0.000 1.077 321 I HN 0.704 nan 8.210 nan 0.000 0.439 322 N N 0.983 119.694 118.700 0.018 0.000 2.251 322 N HA -0.011 4.640 4.740 -0.148 0.000 0.181 322 N C 2.203 177.712 175.510 -0.001 0.000 1.019 322 N CA 1.614 54.657 53.050 -0.012 0.000 0.862 322 N CB -0.536 37.952 38.487 0.002 0.000 0.992 322 N HN 0.829 nan 8.380 nan 0.000 0.429 323 R N 0.107 120.617 120.500 0.017 0.000 2.310 323 R HA 0.705 4.956 4.340 -0.148 0.000 0.202 323 R C 2.345 178.656 176.300 0.018 0.000 0.933 323 R CA 1.117 57.228 56.100 0.018 0.000 1.054 323 R CB -1.144 29.171 30.300 0.024 0.000 0.985 323 R HN 0.758 nan 8.270 nan 0.000 0.489 324 A N 0.193 123.024 122.820 0.018 0.000 1.930 324 A HA 0.027 4.258 4.320 -0.148 0.000 0.215 324 A C 2.191 179.779 177.584 0.007 0.000 1.176 324 A CA 1.449 53.496 52.037 0.018 0.000 0.632 324 A CB -0.506 18.510 19.000 0.027 0.000 0.819 324 A HN 0.703 nan 8.150 nan 0.000 0.445 325 N N -1.243 117.455 118.700 -0.004 0.000 2.280 325 N HA 0.427 5.078 4.740 -0.148 0.000 0.192 325 N C 1.331 176.837 175.510 -0.006 0.000 1.109 325 N CA 1.098 54.141 53.050 -0.012 0.000 0.855 325 N CB -0.425 38.045 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 4.912 4.340 -0.148 0.000 0.218 326 L C 2.341 179.222 176.870 0.018 0.000 1.048 326 L CA 0.958 55.803 54.840 0.008 0.000 0.859 326 L CB -0.862 41.201 42.059 0.007 0.000 1.128 326 L HN 0.405 nan 8.230 nan 0.000 0.483 327 G N -1.753 107.058 108.800 0.019 0.000 3.379 327 G HA2 0.480 4.351 3.960 -0.148 0.000 0.253 327 G HA3 0.480 4.351 3.960 -0.148 0.000 0.253 327 G C 0.552 175.469 174.900 0.029 0.000 1.262 327 G CA 1.530 46.645 45.100 0.025 0.000 0.959 327 G HN 1.307 nan 8.290 nan 0.000 0.524 328 M N -2.670 116.947 119.600 0.029 0.000 1.794 328 M HA 0.604 4.995 4.480 -0.148 0.000 0.292 328 M C 1.659 177.978 176.300 0.031 0.000 0.966 328 M CA 1.301 56.619 55.300 0.030 0.000 1.072 328 M CB -0.052 32.556 32.600 0.014 0.000 2.031 328 M HN 0.313 nan 8.290 nan 0.000 0.719 329 E N 0.351 120.563 120.200 0.021 0.000 2.162 329 E HA 0.568 4.829 4.350 -0.148 0.000 0.193 329 E C 2.118 178.752 176.600 0.057 0.000 0.953 329 E CA 1.686 58.094 56.400 0.013 0.000 0.849 329 E CB -0.869 28.826 29.700 -0.009 0.000 0.810 329 E HN 1.545 nan 8.360 nan 0.000 0.470 330 V N 0.000 119.942 119.914 0.046 0.000 2.591 330 V HA 0.321 4.352 4.120 -0.148 0.000 0.249 330 V C 2.889 179.018 176.094 0.058 0.000 1.053 330 V CA 2.967 65.295 62.300 0.046 0.000 1.068 330 V CB -0.906 30.932 31.823 0.026 0.000 0.689 330 V HN 0.622 nan 8.190 nan 0.000 0.462 331 M N -0.674 118.966 119.600 0.065 0.000 2.691 331 M HA 0.173 4.564 4.480 -0.148 0.000 0.227 331 M C 1.225 177.582 176.300 0.095 0.000 1.120 331 M CA 1.108 56.445 55.300 0.062 0.000 1.034 331 M CB -1.591 31.041 32.600 0.052 0.000 1.675 331 M HN 0.792 nan 8.290 nan 0.000 0.514 332 H N 0.247 119.323 119.070 0.010 0.000 2.476 332 H HA 0.361 4.828 4.556 -0.149 0.000 0.256 332 H C -0.543 174.799 175.328 0.023 0.000 1.321 332 H CA -0.176 55.881 56.048 0.015 0.000 1.056 332 H CB -0.210 29.558 29.762 0.010 0.000 1.643 332 H HN 0.767 nan 8.280 nan 0.000 0.541 333 E N 1.930 122.096 120.200 -0.057 0.000 2.081 333 E HA 0.131 4.392 4.350 -0.148 0.000 0.270 333 E C 1.392 177.952 176.600 -0.067 0.000 1.180 333 E CA 0.596 56.979 56.400 -0.028 0.000 0.926 333 E CB 0.186 29.884 29.700 -0.003 0.000 1.035 333 E HN 0.757 nan 8.360 nan 0.000 0.418 334 R N 2.654 123.129 120.500 -0.042 0.000 3.462 334 R HA -0.383 3.868 4.340 -0.148 0.000 0.574 334 R C 0.893 177.116 176.300 -0.128 0.000 0.274 334 R CA 2.775 58.844 56.100 -0.052 0.000 0.685 334 R CB -2.440 27.892 30.300 0.055 0.000 0.616 334 R HN 1.145 nan 8.270 nan 0.000 0.317 335 N N -1.687 116.974 118.700 -0.066 0.000 3.111 335 N HA 0.748 5.399 4.740 -0.148 0.000 0.200 335 N C 0.257 175.742 175.510 -0.043 0.000 1.464 335 N CA 1.048 54.055 53.050 -0.070 0.000 0.758 335 N CB 0.347 38.790 38.487 -0.072 0.000 1.548 335 N HN 1.637 nan 8.380 nan 0.000 0.595 336 A N -0.759 122.056 122.820 -0.009 0.000 1.995 336 A HA 0.626 4.857 4.320 -0.148 0.000 0.200 336 A C 1.215 178.802 177.584 0.005 0.000 1.566 336 A CA 1.473 53.516 52.037 0.011 0.000 0.895 336 A CB -0.728 18.319 19.000 0.078 0.000 1.046 336 A HN 1.700 nan 8.150 nan 0.000 0.523 337 H N -1.919 117.155 119.070 0.006 0.000 2.607 337 H HA 0.588 5.055 4.556 -0.148 0.000 0.367 337 H C 0.667 175.992 175.328 -0.005 0.000 1.181 337 H CA 0.903 56.953 56.048 0.003 0.000 1.402 337 H CB 0.170 29.935 29.762 0.005 0.000 1.474 337 H HN 1.047 nan 8.280 nan 0.000 0.596 338 N N -2.367 116.331 118.700 -0.002 0.000 2.323 338 N HA 0.153 4.804 4.740 -0.148 0.000 0.318 338 N C 1.826 177.336 175.510 0.000 0.000 0.772 338 N CA 1.283 54.331 53.050 -0.003 0.000 0.619 338 N CB -0.461 38.022 38.487 -0.006 0.000 2.293 338 N HN 1.073 nan 8.380 nan 0.000 1.086 339 F N 1.490 121.442 119.950 0.002 0.000 2.104 339 F HA 0.710 5.148 4.527 -0.148 0.000 0.288 339 F C 0.773 176.577 175.800 0.006 0.000 1.107 339 F CA 0.972 58.975 58.000 0.004 0.000 1.208 339 F CB -1.695 37.307 39.000 0.004 0.000 1.033 339 F HN 0.621 nan 8.300 nan 0.000 0.478 340 P HA 0.705 nan 4.420 nan 0.000 0.272 340 P C 0.123 177.429 177.300 0.010 0.000 1.223 340 P CA 1.227 64.333 63.100 0.009 0.000 0.784 340 P CB 0.948 32.654 31.700 0.011 0.000 0.923 341 L N -1.048 120.182 121.223 0.011 0.000 3.227 341 L HA 0.464 4.715 4.340 -0.148 0.000 0.287 341 L C 2.090 178.969 176.870 0.015 0.000 1.161 341 L CA 1.566 56.413 54.840 0.013 0.000 1.048 341 L CB -1.017 41.049 42.059 0.012 0.000 1.541 341 L HN 0.661 nan 8.230 nan 0.000 0.590 342 D N -0.083 120.326 120.400 0.015 0.000 2.091 342 D HA 0.552 5.103 4.640 -0.148 0.000 0.199 342 D C 0.891 177.202 176.300 0.019 0.000 0.980 342 D CA 2.376 56.386 54.000 0.016 0.000 0.831 342 D CB -0.147 40.663 40.800 0.015 0.000 0.987 342 D HN 1.549 nan 8.370 nan 0.000 0.460 343 L N -0.714 120.520 121.223 0.019 0.000 2.410 343 L HA 0.908 5.159 4.340 -0.148 0.000 0.270 343 L C 0.604 177.487 176.870 0.021 0.000 0.983 343 L CA -0.741 54.112 54.840 0.022 0.000 0.822 343 L CB 0.892 42.966 42.059 0.024 0.000 1.285 343 L HN 0.849 nan 8.230 nan 0.000 0.409 344 A N 0.000 122.833 122.820 0.022 0.000 2.254 344 A HA 0.000 4.231 4.320 -0.148 0.000 0.244 344 A CA 0.000 52.049 52.037 0.020 0.000 0.836 344 A CB 0.000 19.010 19.000 0.017 0.000 0.831 344 A HN 0.000 nan 8.150 nan 0.000 0.486