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 1fqv_1_K DATA FIRST_RESID 107 DATA SEQUENCE VSWDSLPDEL LLGIFSCLCL PELLKVSGVC KRWYRLASDE SLWQTLDLTG DATA SEQUENCE KNLHPDVTGR LLSQGVIAFR CPRSFMDQPL AEHFSPFRVQ HMDLSNSVIE DATA SEQUENCE VSTLHGILSQ CSKLQNLSLE GLRLSDPIVN TLAKNSNLVR LNLSGCSGFS DATA SEQUENCE EFALQTLLSS CSRLDELNLS WCFDFTEKHV QVAVAHVSET ITQLNLSGYR DATA SEQUENCE KNLQKSDLST LVRRCPNLVH LDLSDSVMLK NDCFQEFFQL NYLQHLSLSR DATA SEQUENCE CYDIIPETLL ELGEIPTLKT LQVFGIVPDG TLQLLKEALP HLQINCSHFT DATA SEQUENCE TIARPTIGNK KNQEIWGIKC RLTLQ 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 107 V HA 0.000 nan 4.120 nan 0.000 0.244 107 V C 0.000 176.138 176.094 0.073 0.000 1.182 107 V CA 0.000 62.309 62.300 0.014 0.000 1.235 107 V CB 0.000 31.785 31.823 -0.064 0.000 1.184 108 S N 0.173 115.905 115.700 0.054 0.000 2.549 108 S HA 0.516 4.986 4.470 -0.000 0.000 0.297 108 S C -0.487 174.198 174.600 0.141 0.000 1.115 108 S CA -0.397 57.895 58.200 0.153 0.000 1.059 108 S CB 1.560 64.825 63.200 0.108 0.000 1.046 108 S HN 0.771 nan 8.310 nan 0.000 0.506 109 W N 0.557 121.909 121.300 0.087 0.000 3.114 109 W HA 0.193 4.853 4.660 -0.000 0.000 0.279 109 W C 1.551 178.168 176.519 0.163 0.000 1.277 109 W CA -0.408 57.015 57.345 0.131 0.000 1.630 109 W CB -0.161 29.417 29.460 0.197 0.000 1.087 109 W HN 0.644 nan 8.180 nan 0.000 0.637 110 D N 0.037 120.645 120.400 0.347 0.000 2.384 110 D HA -0.121 4.519 4.640 -0.000 0.000 0.222 110 D C 1.798 178.207 176.300 0.182 0.000 0.976 110 D CA 1.382 55.552 54.000 0.284 0.000 0.915 110 D CB -0.076 40.833 40.800 0.182 0.000 0.896 110 D HN 0.117 nan 8.370 nan 0.000 0.523 111 S N -0.862 114.916 115.700 0.132 0.000 2.605 111 S HA 0.094 4.564 4.470 -0.000 0.000 0.217 111 S C 0.603 175.229 174.600 0.044 0.000 0.958 111 S CA -0.691 57.546 58.200 0.061 0.000 0.919 111 S CB 0.054 63.263 63.200 0.015 0.000 0.780 111 S HN 0.113 nan 8.310 nan 0.000 0.507 112 L N 2.944 124.221 121.223 0.090 0.000 2.349 112 L HA 0.515 4.855 4.340 -0.000 0.000 0.275 112 L C -2.602 174.290 176.870 0.036 0.000 1.115 112 L CA -1.980 52.897 54.840 0.062 0.000 0.820 112 L CB 0.111 42.259 42.059 0.147 0.000 1.135 112 L HN -0.054 nan 8.230 nan 0.000 0.445 113 P HA 0.008 nan 4.420 nan 0.000 0.266 113 P C -0.215 177.063 177.300 -0.037 0.000 1.193 113 P CA 0.124 63.217 63.100 -0.011 0.000 0.770 113 P CB 0.533 32.222 31.700 -0.018 0.000 0.836 114 D N 1.072 121.451 120.400 -0.035 0.000 2.149 114 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 114 D C 1.414 177.654 176.300 -0.100 0.000 0.990 114 D CA 1.396 55.357 54.000 -0.064 0.000 0.839 114 D CB -0.043 40.740 40.800 -0.028 0.000 0.948 114 D HN 0.423 nan 8.370 nan 0.000 0.460 115 E N -0.446 119.713 120.200 -0.068 0.000 2.204 115 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 115 E C 2.028 178.573 176.600 -0.091 0.000 0.989 115 E CA 0.417 56.776 56.400 -0.067 0.000 0.824 115 E CB -0.072 29.605 29.700 -0.039 0.000 0.756 115 E HN 0.348 nan 8.360 nan 0.000 0.477 116 L N -0.379 120.789 121.223 -0.093 0.000 2.162 116 L HA 0.015 4.354 4.340 -0.000 0.000 0.205 116 L C 2.152 178.914 176.870 -0.181 0.000 1.086 116 L CA 0.411 55.197 54.840 -0.091 0.000 0.778 116 L CB -0.242 41.795 42.059 -0.036 0.000 0.928 116 L HN 0.136 nan 8.230 nan 0.000 0.446 117 L N -0.195 120.845 121.223 -0.305 0.000 2.083 117 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 117 L C 2.524 178.883 176.870 -0.850 0.000 1.083 117 L CA 1.211 55.647 54.840 -0.674 0.000 0.752 117 L CB -0.335 41.194 42.059 -0.883 0.000 0.899 117 L HN 0.287 nan 8.230 nan 0.000 0.433 118 L N -0.729 120.181 121.223 -0.523 0.000 2.079 118 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 118 L C 2.642 179.417 176.870 -0.158 0.000 1.081 118 L CA 1.373 56.031 54.840 -0.303 0.000 0.752 118 L CB -1.194 40.776 42.059 -0.149 0.000 0.896 118 L HN 0.335 nan 8.230 nan 0.000 0.433 119 G N 0.529 109.243 108.800 -0.144 0.000 2.421 119 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 119 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 119 G C 1.569 176.441 174.900 -0.047 0.000 1.171 119 G CA 0.758 45.815 45.100 -0.072 0.000 0.775 119 G HN 0.284 nan 8.290 nan 0.000 0.543 120 I N -0.120 120.404 120.570 -0.078 0.000 2.179 120 I HA -0.154 4.015 4.170 -0.000 0.000 0.242 120 I C 2.586 178.776 176.117 0.121 0.000 1.088 120 I CA 1.082 62.378 61.300 -0.006 0.000 1.357 120 I CB -0.386 37.585 38.000 -0.049 0.000 1.051 120 I HN 0.156 nan 8.210 nan 0.000 0.409 121 F N 1.019 120.850 119.950 -0.199 0.000 2.216 121 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 121 F C 2.927 178.633 175.800 -0.155 0.000 1.085 121 F CA 0.906 58.788 58.000 -0.196 0.000 1.326 121 F CB -0.407 38.466 39.000 -0.212 0.000 1.027 121 F HN 0.214 nan 8.300 nan 0.000 0.497 122 S N -0.895 114.843 115.700 0.063 0.000 2.469 122 S HA -0.180 4.289 4.470 -0.000 0.000 0.238 122 S C 1.556 176.134 174.600 -0.038 0.000 0.998 122 S CA 1.028 59.216 58.200 -0.019 0.000 0.957 122 S CB -1.177 62.008 63.200 -0.025 0.000 0.764 122 S HN 0.407 nan 8.310 nan 0.000 0.514 123 C N 1.299 120.589 119.300 -0.017 0.000 2.562 123 C HA 0.457 4.916 4.460 -0.000 0.000 0.266 123 C C 0.839 175.800 174.990 -0.047 0.000 1.382 123 C CA -0.715 58.286 59.018 -0.028 0.000 1.742 123 C CB -1.566 26.167 27.740 -0.012 0.000 1.812 123 C HN 0.543 nan 8.230 nan 0.000 0.559 124 L N 1.422 122.605 121.223 -0.067 0.000 2.307 124 L HA 0.356 4.696 4.340 -0.000 0.000 0.282 124 L C 0.704 177.496 176.870 -0.129 0.000 1.051 124 L CA -0.478 54.301 54.840 -0.101 0.000 0.804 124 L CB 0.434 42.404 42.059 -0.149 0.000 1.197 124 L HN 0.353 nan 8.230 nan 0.000 0.431 125 C N 1.273 120.506 119.300 -0.111 0.000 2.649 125 C HA 0.190 4.650 4.460 -0.000 0.000 0.377 125 C C 1.887 176.790 174.990 -0.145 0.000 1.321 125 C CA -0.911 58.036 59.018 -0.119 0.000 2.368 125 C CB 0.443 28.133 27.740 -0.084 0.000 2.597 125 C HN 0.906 nan 8.230 nan 0.000 0.678 126 L N 2.724 123.851 121.223 -0.159 0.000 2.011 126 L HA -0.095 4.244 4.340 -0.000 0.000 0.225 126 L C -0.026 176.788 176.870 -0.094 0.000 1.084 126 L CA 2.998 57.738 54.840 -0.167 0.000 0.791 126 L CB -1.688 40.299 42.059 -0.120 0.000 0.898 126 L HN 0.733 nan 8.230 nan 0.000 0.440 127 P HA -0.185 nan 4.420 nan 0.000 0.216 127 P C 1.245 178.518 177.300 -0.045 0.000 1.150 127 P CA 1.542 64.623 63.100 -0.031 0.000 0.837 127 P CB 0.066 31.752 31.700 -0.023 0.000 0.786 128 E N -0.194 119.963 120.200 -0.072 0.000 2.072 128 E HA -0.115 4.234 4.350 -0.000 0.000 0.191 128 E C 2.006 178.527 176.600 -0.132 0.000 0.985 128 E CA 0.548 56.896 56.400 -0.086 0.000 0.801 128 E CB -1.248 28.396 29.700 -0.093 0.000 0.750 128 E HN 0.083 nan 8.360 nan 0.000 0.452 129 L N 0.134 121.256 121.223 -0.169 0.000 2.046 129 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 129 L C 1.801 178.596 176.870 -0.126 0.000 1.077 129 L CA 1.578 56.279 54.840 -0.231 0.000 0.747 129 L CB -0.260 41.654 42.059 -0.242 0.000 0.896 129 L HN 0.174 nan 8.230 nan 0.000 0.432 130 L N -0.778 120.425 121.223 -0.034 0.000 2.376 130 L HA -0.130 4.210 4.340 -0.000 0.000 0.219 130 L C 2.481 179.359 176.870 0.013 0.000 1.133 130 L CA 0.764 55.619 54.840 0.026 0.000 0.816 130 L CB -0.615 41.483 42.059 0.065 0.000 0.933 130 L HN 0.352 nan 8.230 nan 0.000 0.449 131 K N 0.967 121.359 120.400 -0.015 0.000 1.980 131 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 131 K C 2.144 178.762 176.600 0.030 0.000 1.043 131 K CA 1.740 58.031 56.287 0.006 0.000 0.938 131 K CB -0.129 32.367 32.500 -0.008 0.000 0.724 131 K HN 0.190 nan 8.250 nan 0.000 0.438 132 V N 0.755 120.666 119.914 -0.005 0.000 2.453 132 V HA -0.250 3.869 4.120 -0.000 0.000 0.252 132 V C 2.215 178.427 176.094 0.195 0.000 1.068 132 V CA 2.468 64.831 62.300 0.104 0.000 1.070 132 V CB -1.394 30.313 31.823 -0.192 0.000 0.664 132 V HN 0.493 nan 8.190 nan 0.000 0.461 133 S N 1.141 116.882 115.700 0.069 0.000 2.493 133 S HA 0.022 4.492 4.470 -0.000 0.000 0.243 133 S C 1.653 176.439 174.600 0.310 0.000 0.991 133 S CA 1.196 59.492 58.200 0.159 0.000 0.957 133 S CB -0.825 62.379 63.200 0.006 0.000 0.756 133 S HN 1.050 nan 8.310 nan 0.000 0.521 134 G N 0.036 108.966 108.800 0.216 0.000 3.502 134 G HA2 0.434 4.394 3.960 -0.000 0.000 0.267 134 G HA3 0.434 4.394 3.960 -0.000 0.000 0.267 134 G C 0.785 175.742 174.900 0.095 0.000 1.090 134 G CA 0.097 45.305 45.100 0.179 0.000 0.795 134 G HN 0.388 nan 8.290 nan 0.000 0.535 135 V N 0.473 120.441 119.914 0.091 0.000 2.273 135 V HA 0.064 4.184 4.120 -0.000 0.000 0.242 135 V C 1.530 177.550 176.094 -0.124 0.000 1.035 135 V CA 1.400 63.639 62.300 -0.102 0.000 1.013 135 V CB -0.443 31.152 31.823 -0.379 0.000 0.652 135 V HN 0.663 nan 8.190 nan 0.000 0.452 136 C N -2.043 117.222 119.300 -0.058 0.000 3.171 136 C HA 0.501 4.961 4.460 -0.000 0.000 0.308 136 C C 1.239 176.310 174.990 0.135 0.000 1.334 136 C CA -1.197 57.806 59.018 -0.024 0.000 1.473 136 C CB 1.638 29.298 27.740 -0.134 0.000 1.866 136 C HN 0.370 nan 8.230 nan 0.000 0.465 137 K N 0.178 120.633 120.400 0.092 0.000 2.152 137 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 137 K C 2.324 179.065 176.600 0.236 0.000 1.048 137 K CA 1.791 58.146 56.287 0.114 0.000 0.933 137 K CB -0.135 32.387 32.500 0.038 0.000 0.721 137 K HN 0.708 nan 8.250 nan 0.000 0.447 138 R N 0.162 120.818 120.500 0.260 0.000 2.062 138 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 138 R C 1.823 178.411 176.300 0.481 0.000 1.136 138 R CA 1.493 57.789 56.100 0.326 0.000 0.948 138 R CB -0.179 30.316 30.300 0.326 0.000 0.845 138 R HN 0.206 nan 8.270 nan 0.000 0.430 139 W N 0.198 121.650 121.300 0.254 0.000 2.342 139 W HA -0.218 4.442 4.660 -0.000 0.000 0.297 139 W C 2.149 178.892 176.519 0.373 0.000 1.213 139 W CA 1.066 58.648 57.345 0.396 0.000 1.251 139 W CB -1.125 28.563 29.460 0.380 0.000 1.136 139 W HN 0.255 nan 8.180 nan 0.000 0.526 140 Y N 1.159 121.690 120.300 0.384 0.000 2.224 140 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 140 Y C 2.428 178.450 175.900 0.205 0.000 1.146 140 Y CA 2.116 60.359 58.100 0.239 0.000 1.182 140 Y CB -0.487 38.069 38.460 0.161 0.000 0.983 140 Y HN -0.135 nan 8.280 nan 0.000 0.524 141 R N -0.110 120.652 120.500 0.437 0.000 2.070 141 R HA -0.137 4.203 4.340 -0.000 0.000 0.233 141 R C 2.274 178.687 176.300 0.188 0.000 1.137 141 R CA 1.947 58.217 56.100 0.284 0.000 0.945 141 R CB -0.694 29.747 30.300 0.235 0.000 0.845 141 R HN 0.363 nan 8.270 nan 0.000 0.430 142 L N 0.384 121.742 121.223 0.225 0.000 2.201 142 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 142 L C 2.504 179.565 176.870 0.319 0.000 1.105 142 L CA 0.814 55.770 54.840 0.193 0.000 0.775 142 L CB -0.516 41.573 42.059 0.049 0.000 0.913 142 L HN 0.249 nan 8.230 nan 0.000 0.440 143 A N -1.071 121.965 122.820 0.359 0.000 2.172 143 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 143 A C 2.136 179.908 177.584 0.314 0.000 1.154 143 A CA 1.412 53.603 52.037 0.257 0.000 0.701 143 A CB -0.220 18.803 19.000 0.038 0.000 0.789 143 A HN 0.359 nan 8.150 nan 0.000 0.465 144 S N -0.152 115.663 115.700 0.192 0.000 2.578 144 S HA 0.072 4.542 4.470 -0.000 0.000 0.231 144 S C 0.237 174.918 174.600 0.135 0.000 0.994 144 S CA -0.596 57.655 58.200 0.086 0.000 0.956 144 S CB -0.047 63.032 63.200 -0.201 0.000 0.870 144 S HN 0.677 nan 8.310 nan 0.000 0.494 145 D N 2.393 122.927 120.400 0.223 0.000 2.506 145 D HA -0.047 4.593 4.640 -0.000 0.000 0.234 145 D C 0.865 177.311 176.300 0.244 0.000 1.143 145 D CA 0.513 54.618 54.000 0.174 0.000 0.871 145 D CB 0.744 41.626 40.800 0.137 0.000 1.190 145 D HN 0.296 nan 8.370 nan 0.000 0.459 146 E N 1.205 121.497 120.200 0.153 0.000 2.160 146 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 146 E C 1.998 178.696 176.600 0.164 0.000 0.991 146 E CA 1.353 57.848 56.400 0.158 0.000 0.810 146 E CB -0.031 29.724 29.700 0.092 0.000 0.742 146 E HN 0.566 nan 8.360 nan 0.000 0.466 147 S N 1.081 116.850 115.700 0.116 0.000 2.419 147 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 147 S C 2.006 176.638 174.600 0.053 0.000 1.016 147 S CA 0.775 59.018 58.200 0.072 0.000 0.974 147 S CB -0.366 62.859 63.200 0.042 0.000 0.786 147 S HN 0.194 nan 8.310 nan 0.000 0.492 148 L N -1.829 119.442 121.223 0.080 0.000 2.341 148 L HA 0.194 4.534 4.340 -0.000 0.000 0.214 148 L C 1.295 177.997 176.870 -0.281 0.000 1.115 148 L CA 0.477 55.261 54.840 -0.093 0.000 0.820 148 L CB -0.310 41.688 42.059 -0.101 0.000 0.944 148 L HN 0.389 nan 8.230 nan 0.000 0.452 149 W N -0.400 120.895 121.300 -0.009 0.000 2.926 149 W HA 0.207 4.867 4.660 -0.000 0.000 0.419 149 W C 1.943 178.458 176.519 -0.008 0.000 0.993 149 W CA -0.499 56.835 57.345 -0.018 0.000 2.025 149 W CB -0.092 29.343 29.460 -0.041 0.000 1.152 149 W HN 0.049 nan 8.180 nan 0.000 0.659 150 Q N 0.259 120.141 119.800 0.137 0.000 2.135 150 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 150 Q C 0.833 176.897 176.000 0.106 0.000 0.981 150 Q CA 1.590 57.459 55.803 0.110 0.000 0.856 150 Q CB -0.210 28.569 28.738 0.068 0.000 0.902 150 Q HN 0.124 nan 8.270 nan 0.000 0.425 151 T N -1.157 113.440 114.554 0.071 0.000 2.847 151 T HA 0.572 4.922 4.350 -0.000 0.000 0.291 151 T C -1.002 173.740 174.700 0.071 0.000 0.998 151 T CA -0.851 61.292 62.100 0.073 0.000 0.967 151 T CB 1.412 70.295 68.868 0.024 0.000 0.954 151 T HN -0.006 nan 8.240 nan 0.000 0.441 152 L N 2.496 123.816 121.223 0.161 0.000 2.356 152 L HA 0.726 5.066 4.340 -0.000 0.000 0.277 152 L C -1.376 175.602 176.870 0.180 0.000 0.996 152 L CA -0.348 54.607 54.840 0.191 0.000 0.822 152 L CB 1.931 44.195 42.059 0.342 0.000 1.256 152 L HN 0.762 nan 8.230 nan 0.000 0.413 153 D N 5.590 126.035 120.400 0.074 0.000 2.461 153 D HA 0.331 4.971 4.640 -0.000 0.000 0.240 153 D C -1.115 175.190 176.300 0.007 0.000 1.094 153 D CA -0.058 53.940 54.000 -0.003 0.000 0.868 153 D CB 0.765 41.542 40.800 -0.038 0.000 1.062 153 D HN 0.601 nan 8.370 nan 0.000 0.530 154 L N 4.061 125.277 121.223 -0.011 0.000 2.581 154 L HA 0.228 4.568 4.340 -0.000 0.000 0.241 154 L C 0.508 177.348 176.870 -0.049 0.000 1.265 154 L CA -0.621 54.234 54.840 0.025 0.000 0.954 154 L CB 0.943 43.087 42.059 0.142 0.000 1.269 154 L HN 0.300 nan 8.230 nan 0.000 0.475 155 T N -2.807 111.710 114.554 -0.063 0.000 2.856 155 T HA 0.508 4.858 4.350 -0.000 0.000 0.292 155 T C 1.227 175.918 174.700 -0.015 0.000 0.980 155 T CA 0.347 62.401 62.100 -0.076 0.000 1.091 155 T CB 1.739 70.549 68.868 -0.097 0.000 0.936 155 T HN 0.672 nan 8.240 nan 0.000 0.503 156 G N 1.804 110.606 108.800 0.002 0.000 2.155 156 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.257 156 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.257 156 G C -0.021 174.990 174.900 0.186 0.000 0.983 156 G CA 0.488 45.652 45.100 0.107 0.000 0.676 156 G HN 1.012 nan 8.290 nan 0.000 0.528 157 K N 0.504 120.985 120.400 0.135 0.000 2.234 157 K HA 0.466 4.786 4.320 -0.000 0.000 0.282 157 K C 0.465 177.205 176.600 0.233 0.000 1.039 157 K CA -0.558 55.817 56.287 0.146 0.000 0.928 157 K CB 0.348 32.910 32.500 0.104 0.000 1.039 157 K HN 0.245 nan 8.250 nan 0.000 0.470 158 N N 3.396 122.217 118.700 0.202 0.000 2.520 158 N HA 0.339 5.079 4.740 -0.000 0.000 0.273 158 N C -1.553 174.056 175.510 0.166 0.000 1.155 158 N CA -0.196 52.983 53.050 0.215 0.000 0.967 158 N CB 0.386 38.900 38.487 0.044 0.000 1.092 158 N HN 0.418 nan 8.380 nan 0.000 0.457 159 L N 2.178 123.505 121.223 0.175 0.000 2.506 159 L HA 0.297 4.637 4.340 -0.000 0.000 0.257 159 L C -1.351 175.611 176.870 0.153 0.000 0.964 159 L CA -0.722 54.211 54.840 0.156 0.000 0.836 159 L CB 1.703 43.854 42.059 0.153 0.000 1.384 159 L HN 0.731 nan 8.230 nan 0.000 0.410 160 H N 5.073 124.199 119.070 0.092 0.000 2.527 160 H HA 0.369 4.925 4.556 -0.000 0.000 0.321 160 H C -1.984 173.403 175.328 0.099 0.000 1.087 160 H CA -1.788 54.317 56.048 0.095 0.000 1.337 160 H CB 2.033 31.848 29.762 0.089 0.000 1.440 160 H HN 0.443 nan 8.280 nan 0.000 0.490 161 P HA -0.198 nan 4.420 nan 0.000 0.217 161 P C 0.636 178.128 177.300 0.320 0.000 1.148 161 P CA 1.204 64.372 63.100 0.113 0.000 0.834 161 P CB 0.544 32.268 31.700 0.040 0.000 0.783 162 D N -0.484 120.345 120.400 0.715 0.000 2.178 162 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 162 D C 2.109 178.576 176.300 0.278 0.000 0.974 162 D CA 0.711 55.118 54.000 0.678 0.000 0.841 162 D CB -0.747 40.306 40.800 0.423 0.000 0.953 162 D HN 0.073 nan 8.370 nan 0.000 0.478 163 V N 1.225 121.249 119.914 0.182 0.000 2.358 163 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 163 V C 2.764 178.779 176.094 -0.131 0.000 1.047 163 V CA 2.116 64.433 62.300 0.030 0.000 1.035 163 V CB -1.002 30.866 31.823 0.075 0.000 0.658 163 V HN 0.372 nan 8.190 nan 0.000 0.452 164 T N -1.127 113.352 114.554 -0.126 0.000 2.746 164 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 164 T C 1.971 176.289 174.700 -0.635 0.000 1.039 164 T CA 1.647 63.569 62.100 -0.297 0.000 1.142 164 T CB -0.834 67.957 68.868 -0.129 0.000 0.866 164 T HN 0.457 nan 8.240 nan 0.000 0.444 165 G N 1.159 109.487 108.800 -0.786 0.000 2.404 165 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 165 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 165 G C 1.759 175.967 174.900 -1.153 0.000 1.174 165 G CA 0.586 44.813 45.100 -1.454 0.000 0.780 165 G HN 0.552 nan 8.290 nan 0.000 0.537 166 R N -0.066 119.980 120.500 -0.757 0.000 2.096 166 R HA 0.072 4.412 4.340 -0.000 0.000 0.235 166 R C 2.427 178.493 176.300 -0.390 0.000 1.127 166 R CA 0.941 56.885 56.100 -0.261 0.000 0.968 166 R CB -0.273 30.002 30.300 -0.042 0.000 0.861 166 R HN 0.402 nan 8.270 nan 0.000 0.440 167 L N 0.260 121.186 121.223 -0.496 0.000 2.131 167 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 167 L C 2.242 178.747 176.870 -0.609 0.000 1.087 167 L CA 0.655 55.153 54.840 -0.569 0.000 0.767 167 L CB -0.158 41.644 42.059 -0.428 0.000 0.917 167 L HN 0.229 nan 8.230 nan 0.000 0.441 168 L N -0.440 120.293 121.223 -0.817 0.000 2.291 168 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 168 L C 2.601 179.134 176.870 -0.563 0.000 1.120 168 L CA 1.032 55.287 54.840 -0.974 0.000 0.799 168 L CB -0.384 40.573 42.059 -1.837 0.000 0.925 168 L HN 0.350 nan 8.230 nan 0.000 0.446 169 S N -1.165 114.351 115.700 -0.308 0.000 2.603 169 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 169 S C 1.305 175.877 174.600 -0.047 0.000 0.972 169 S CA 0.237 58.495 58.200 0.097 0.000 0.935 169 S CB -0.182 63.130 63.200 0.187 0.000 0.769 169 S HN 0.518 nan 8.310 nan 0.000 0.536 170 Q N 1.374 121.050 119.800 -0.206 0.000 2.217 170 Q HA 0.345 4.685 4.340 -0.000 0.000 0.226 170 Q C 0.479 176.427 176.000 -0.086 0.000 0.875 170 Q CA -0.078 55.590 55.803 -0.224 0.000 0.974 170 Q CB 0.034 28.437 28.738 -0.558 0.000 1.079 170 Q HN 0.659 nan 8.270 nan 0.000 0.463 171 G N 0.980 109.765 108.800 -0.025 0.000 2.387 171 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.270 171 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.270 171 G C -0.368 174.569 174.900 0.061 0.000 0.957 171 G CA -0.252 44.868 45.100 0.034 0.000 1.352 171 G HN 0.249 nan 8.290 nan 0.000 0.457 172 V N 3.384 123.312 119.914 0.023 0.000 2.384 172 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 172 V C 1.493 177.635 176.094 0.081 0.000 1.020 172 V CA -0.474 61.865 62.300 0.064 0.000 0.850 172 V CB 1.489 33.294 31.823 -0.031 0.000 0.987 172 V HN 0.522 nan 8.190 nan 0.000 0.436 173 I N 3.292 123.940 120.570 0.131 0.000 2.429 173 I HA 0.187 4.357 4.170 -0.000 0.000 0.247 173 I C 1.296 177.575 176.117 0.270 0.000 1.099 173 I CA 0.877 62.285 61.300 0.179 0.000 1.422 173 I CB 0.112 38.215 38.000 0.172 0.000 1.112 173 I HN 0.632 nan 8.210 nan 0.000 0.430 174 A N 0.976 123.937 122.820 0.235 0.000 2.267 174 A HA 0.480 4.800 4.320 -0.000 0.000 0.315 174 A C -1.153 176.603 177.584 0.288 0.000 1.297 174 A CA -0.166 52.028 52.037 0.261 0.000 0.865 174 A CB 0.138 19.217 19.000 0.131 0.000 1.165 174 A HN 0.210 nan 8.150 nan 0.000 0.513 175 F N 3.551 123.565 119.950 0.108 0.000 2.366 175 F HA 0.503 5.029 4.527 -0.000 0.000 0.366 175 F C 0.252 176.080 175.800 0.047 0.000 1.096 175 F CA -1.007 57.025 58.000 0.053 0.000 1.060 175 F CB 0.992 39.998 39.000 0.011 0.000 1.282 175 F HN 0.598 nan 8.300 nan 0.000 0.450 176 R N 5.502 125.871 120.500 -0.218 0.000 2.202 176 R HA 0.481 4.821 4.340 -0.000 0.000 0.334 176 R C -0.986 174.993 176.300 -0.536 0.000 1.036 176 R CA -0.027 55.887 56.100 -0.311 0.000 0.878 176 R CB 0.524 30.725 30.300 -0.165 0.000 1.067 176 R HN 0.781 nan 8.270 nan 0.000 0.457 177 C N 7.978 126.930 119.300 -0.580 0.000 3.202 177 C HA 0.399 4.859 4.460 -0.000 0.000 0.237 177 C C -2.592 172.211 174.990 -0.311 0.000 2.183 177 C CA -1.616 57.082 59.018 -0.533 0.000 1.352 177 C CB 0.359 27.538 27.740 -0.936 0.000 2.502 177 C HN 0.710 nan 8.230 nan 0.000 0.524 178 P HA 0.278 nan 4.420 nan 0.000 0.276 178 P C -0.226 176.969 177.300 -0.175 0.000 1.244 178 P CA 0.616 63.602 63.100 -0.189 0.000 0.801 178 P CB 0.419 32.014 31.700 -0.174 0.000 1.006 179 R N -1.484 118.900 120.500 -0.192 0.000 3.627 179 R HA -0.126 4.213 4.340 -0.000 0.000 0.281 179 R C 0.692 176.804 176.300 -0.314 0.000 1.140 179 R CA 0.835 56.798 56.100 -0.229 0.000 0.761 179 R CB -2.434 27.798 30.300 -0.114 0.000 1.181 179 R HN 0.773 nan 8.270 nan 0.000 0.472 180 S N -0.766 114.727 115.700 -0.344 0.000 2.719 180 S HA 0.749 5.219 4.470 -0.000 0.000 0.285 180 S C -0.195 174.055 174.600 -0.584 0.000 1.137 180 S CA -0.744 57.303 58.200 -0.256 0.000 1.012 180 S CB 1.176 64.317 63.200 -0.099 0.000 1.134 180 S HN 0.167 nan 8.310 nan 0.000 0.544 181 F N -0.002 119.955 119.950 0.011 0.000 2.612 181 F HA 0.517 5.044 4.527 -0.000 0.000 0.332 181 F C -0.331 175.483 175.800 0.023 0.000 1.167 181 F CA -0.610 57.400 58.000 0.017 0.000 0.970 181 F CB 1.676 40.685 39.000 0.015 0.000 1.234 181 F HN 0.371 nan 8.300 nan 0.000 0.453 182 M N 4.692 124.365 119.600 0.122 0.000 2.035 182 M HA 0.299 4.779 4.480 -0.000 0.000 0.286 182 M C -1.092 175.241 176.300 0.056 0.000 0.907 182 M CA -0.340 55.006 55.300 0.077 0.000 0.935 182 M CB 1.625 34.259 32.600 0.056 0.000 1.557 182 M HN 0.521 nan 8.290 nan 0.000 0.426 183 D N 1.793 122.222 120.400 0.048 0.000 2.895 183 D HA 0.226 4.866 4.640 -0.000 0.000 0.350 183 D C -0.460 175.841 176.300 0.003 0.000 1.389 183 D CA -0.164 53.861 54.000 0.043 0.000 0.812 183 D CB 0.882 41.732 40.800 0.083 0.000 1.164 183 D HN 0.497 nan 8.370 nan 0.000 0.455 184 Q N 0.667 120.425 119.800 -0.069 0.000 2.495 184 Q HA 0.392 4.732 4.340 -0.000 0.000 0.287 184 Q C -2.648 173.296 176.000 -0.093 0.000 1.078 184 Q CA -1.903 53.841 55.803 -0.100 0.000 0.793 184 Q CB 3.290 31.917 28.738 -0.184 0.000 1.459 184 Q HN 0.015 nan 8.270 nan 0.000 0.422 185 P HA -0.056 nan 4.420 nan 0.000 0.272 185 P C -0.312 177.034 177.300 0.076 0.000 1.243 185 P CA 0.349 63.476 63.100 0.045 0.000 0.803 185 P CB 0.549 32.293 31.700 0.073 0.000 0.974 186 L N -3.421 117.864 121.223 0.104 0.000 3.385 186 L HA -0.183 4.157 4.340 -0.000 0.000 0.550 186 L C 0.371 177.352 176.870 0.186 0.000 1.326 186 L CA -0.003 54.918 54.840 0.136 0.000 0.932 186 L CB -2.178 39.995 42.059 0.189 0.000 1.684 186 L HN 0.540 nan 8.230 nan 0.000 0.848 187 A N 0.975 123.872 122.820 0.129 0.000 2.569 187 A HA 0.403 4.723 4.320 -0.000 0.000 0.288 187 A C 1.389 179.078 177.584 0.175 0.000 1.326 187 A CA 1.148 53.273 52.037 0.147 0.000 0.978 187 A CB -0.337 18.749 19.000 0.144 0.000 1.054 187 A HN 0.927 nan 8.150 nan 0.000 0.558 188 E N 0.161 120.540 120.200 0.299 0.000 3.304 188 E HA 0.222 4.572 4.350 -0.000 0.000 0.302 188 E C 0.748 177.536 176.600 0.313 0.000 0.892 188 E CA 2.161 58.872 56.400 0.519 0.000 1.000 188 E CB -0.775 29.233 29.700 0.513 0.000 1.014 188 E HN 2.268 nan 8.360 nan 0.000 0.500 189 H N 0.141 119.438 119.070 0.377 0.000 3.723 189 H HA 0.397 4.953 4.556 -0.000 0.000 0.254 189 H C 0.734 176.094 175.328 0.052 0.000 1.097 189 H CA -0.002 56.084 56.048 0.063 0.000 1.170 189 H CB -0.659 29.082 29.762 -0.036 0.000 1.378 189 H HN 0.670 nan 8.280 nan 0.000 0.834 190 F N 2.175 122.092 119.950 -0.055 0.000 2.503 190 F HA 0.146 4.673 4.527 -0.000 0.000 0.244 190 F C 1.500 177.148 175.800 -0.252 0.000 0.884 190 F CA 1.523 59.480 58.000 -0.072 0.000 1.108 190 F CB -0.090 38.959 39.000 0.083 0.000 0.914 190 F HN 0.346 nan 8.300 nan 0.000 0.662 191 S N 1.772 117.472 115.700 0.000 0.000 2.580 191 S HA 0.100 4.570 4.470 -0.000 0.000 0.261 191 S C -2.236 172.111 174.600 -0.422 0.000 1.366 191 S CA -0.832 57.285 58.200 -0.138 0.000 0.996 191 S CB -0.186 62.989 63.200 -0.042 0.000 0.902 191 S HN 0.267 nan 8.310 nan 0.000 0.566 192 P HA 0.160 nan 4.420 nan 0.000 0.268 192 P C -0.809 176.317 177.300 -0.291 0.000 1.205 192 P CA 0.267 63.150 63.100 -0.362 0.000 0.771 192 P CB 0.092 31.696 31.700 -0.160 0.000 0.858 193 F N 1.393 121.325 119.950 -0.030 0.000 2.403 193 F HA 0.399 4.926 4.527 -0.000 0.000 0.326 193 F C 2.034 177.814 175.800 -0.033 0.000 1.081 193 F CA -0.816 57.154 58.000 -0.049 0.000 1.041 193 F CB 1.278 40.230 39.000 -0.079 0.000 1.234 193 F HN 0.164 nan 8.300 nan 0.000 0.503 194 R N 0.221 120.834 120.500 0.189 0.000 2.280 194 R HA 0.126 4.465 4.340 -0.000 0.000 0.195 194 R C -0.294 176.058 176.300 0.087 0.000 0.935 194 R CA -0.089 56.071 56.100 0.101 0.000 1.033 194 R CB 0.089 30.437 30.300 0.080 0.000 0.964 194 R HN 0.333 nan 8.270 nan 0.000 0.489 195 V N 2.622 122.594 119.914 0.098 0.000 2.717 195 V HA -0.208 3.911 4.120 -0.000 0.000 0.302 195 V C 1.168 177.291 176.094 0.048 0.000 1.097 195 V CA 1.096 63.443 62.300 0.078 0.000 1.262 195 V CB 0.240 32.099 31.823 0.060 0.000 0.846 195 V HN 0.399 nan 8.190 nan 0.000 0.485 196 Q N 2.328 122.147 119.800 0.033 0.000 2.442 196 Q HA 0.169 4.509 4.340 -0.000 0.000 0.228 196 Q C -0.257 175.475 176.000 -0.446 0.000 0.902 196 Q CA 0.472 56.157 55.803 -0.196 0.000 0.933 196 Q CB 0.600 29.209 28.738 -0.215 0.000 1.071 196 Q HN 0.949 nan 8.270 nan 0.000 0.562 197 H N -0.220 118.913 119.070 0.105 0.000 2.646 197 H HA 0.500 5.056 4.556 -0.000 0.000 0.328 197 H C -1.129 174.353 175.328 0.256 0.000 0.998 197 H CA -0.285 55.866 56.048 0.172 0.000 1.225 197 H CB 1.195 31.096 29.762 0.231 0.000 1.457 197 H HN 0.030 nan 8.280 nan 0.000 0.505 198 M N 2.641 122.457 119.600 0.360 0.000 2.267 198 M HA 0.331 4.810 4.480 -0.000 0.000 0.289 198 M C -1.759 174.704 176.300 0.272 0.000 1.043 198 M CA -0.753 54.727 55.300 0.301 0.000 0.928 198 M CB 1.945 34.704 32.600 0.265 0.000 1.613 198 M HN 0.579 nan 8.290 nan 0.000 0.450 199 D N 5.129 125.576 120.400 0.078 0.000 2.453 199 D HA 0.369 5.009 4.640 -0.000 0.000 0.238 199 D C -0.708 175.513 176.300 -0.132 0.000 1.088 199 D CA -0.265 53.718 54.000 -0.028 0.000 0.854 199 D CB 0.962 41.658 40.800 -0.173 0.000 1.076 199 D HN 0.766 nan 8.370 nan 0.000 0.533 200 L N 2.635 123.822 121.223 -0.060 0.000 2.965 200 L HA 0.203 4.543 4.340 -0.000 0.000 0.254 200 L C 0.573 177.397 176.870 -0.075 0.000 1.220 200 L CA -0.454 54.334 54.840 -0.087 0.000 1.023 200 L CB 0.018 42.068 42.059 -0.016 0.000 1.355 200 L HN 0.323 nan 8.230 nan 0.000 0.545 201 S N -0.386 115.268 115.700 -0.077 0.000 2.549 201 S HA 0.037 4.507 4.470 -0.000 0.000 0.286 201 S C 0.953 175.497 174.600 -0.094 0.000 1.314 201 S CA -0.399 57.762 58.200 -0.065 0.000 1.062 201 S CB 0.405 63.564 63.200 -0.068 0.000 0.865 201 S HN 0.532 nan 8.310 nan 0.000 0.498 202 N N 0.175 118.831 118.700 -0.072 0.000 2.714 202 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 202 N C -0.476 174.933 175.510 -0.169 0.000 1.117 202 N CA 1.183 54.177 53.050 -0.095 0.000 0.719 202 N CB -1.880 36.552 38.487 -0.092 0.000 1.081 202 N HN 0.660 nan 8.380 nan 0.000 0.557 203 S N -0.379 115.210 115.700 -0.185 0.000 2.707 203 S HA 0.620 5.090 4.470 -0.000 0.000 0.276 203 S C 0.621 175.042 174.600 -0.298 0.000 1.179 203 S CA -0.623 57.390 58.200 -0.311 0.000 0.992 203 S CB 2.432 65.492 63.200 -0.233 0.000 1.030 203 S HN 0.040 nan 8.310 nan 0.000 0.554 204 V N 2.074 121.728 119.914 -0.433 0.000 2.349 204 V HA 0.489 4.609 4.120 -0.000 0.000 0.284 204 V C -0.806 175.227 176.094 -0.101 0.000 1.014 204 V CA -0.232 61.938 62.300 -0.216 0.000 0.826 204 V CB 0.316 32.045 31.823 -0.157 0.000 1.009 204 V HN 0.643 nan 8.190 nan 0.000 0.431 205 I N 3.037 123.591 120.570 -0.026 0.000 2.478 205 I HA 0.376 4.545 4.170 -0.000 0.000 0.287 205 I C -0.037 176.108 176.117 0.047 0.000 1.042 205 I CA -0.852 60.459 61.300 0.018 0.000 1.067 205 I CB 2.255 40.266 38.000 0.018 0.000 1.233 205 I HN 0.563 nan 8.210 nan 0.000 0.431 206 E N 4.843 125.076 120.200 0.054 0.000 2.608 206 E HA -0.057 4.292 4.350 -0.000 0.000 0.259 206 E C 0.591 177.235 176.600 0.072 0.000 0.951 206 E CA 0.507 56.943 56.400 0.060 0.000 0.945 206 E CB 0.960 30.690 29.700 0.051 0.000 0.916 206 E HN 0.437 nan 8.360 nan 0.000 0.477 207 V N 3.925 123.885 119.914 0.077 0.000 2.453 207 V HA -0.318 3.802 4.120 -0.000 0.000 0.252 207 V C 2.035 178.196 176.094 0.111 0.000 1.068 207 V CA 2.624 64.979 62.300 0.091 0.000 1.070 207 V CB -0.618 31.255 31.823 0.082 0.000 0.664 207 V HN 0.834 nan 8.190 nan 0.000 0.461 208 S N -1.855 113.905 115.700 0.100 0.000 2.428 208 S HA -0.161 4.309 4.470 -0.000 0.000 0.230 208 S C 1.857 176.548 174.600 0.153 0.000 1.014 208 S CA 1.543 59.820 58.200 0.128 0.000 0.957 208 S CB -0.455 62.802 63.200 0.095 0.000 0.784 208 S HN 0.584 nan 8.310 nan 0.000 0.499 209 T N 2.563 117.184 114.554 0.113 0.000 2.812 209 T HA 0.142 4.492 4.350 -0.000 0.000 0.264 209 T C 1.625 176.397 174.700 0.120 0.000 1.042 209 T CA 0.984 63.146 62.100 0.104 0.000 1.140 209 T CB -0.473 68.434 68.868 0.064 0.000 0.870 209 T HN 0.217 nan 8.240 nan 0.000 0.445 210 L N 0.896 122.191 121.223 0.121 0.000 2.017 210 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 210 L C 2.311 179.269 176.870 0.148 0.000 1.073 210 L CA 1.945 56.858 54.840 0.122 0.000 0.745 210 L CB -0.773 41.354 42.059 0.113 0.000 0.894 210 L HN 0.335 nan 8.230 nan 0.000 0.432 211 H N -0.936 118.178 119.070 0.074 0.000 2.293 211 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 211 H C 2.072 177.449 175.328 0.082 0.000 1.082 211 H CA 1.919 58.008 56.048 0.069 0.000 1.308 211 H CB -0.734 29.064 29.762 0.059 0.000 1.375 211 H HN 0.347 nan 8.280 nan 0.000 0.495 212 G N 0.446 109.257 108.800 0.018 0.000 2.469 212 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 212 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 212 G C 1.785 176.707 174.900 0.037 0.000 1.136 212 G CA 1.217 46.307 45.100 -0.017 0.000 0.759 212 G HN 0.500 nan 8.290 nan 0.000 0.562 213 I N -0.042 120.590 120.570 0.103 0.000 2.333 213 I HA 0.002 4.172 4.170 -0.000 0.000 0.246 213 I C 2.525 178.739 176.117 0.161 0.000 1.106 213 I CA 0.501 61.918 61.300 0.196 0.000 1.411 213 I CB -0.153 37.939 38.000 0.153 0.000 1.082 213 I HN 0.099 nan 8.210 nan 0.000 0.420 214 L N 0.592 121.855 121.223 0.066 0.000 2.291 214 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 214 L C 2.419 179.270 176.870 -0.031 0.000 1.120 214 L CA 1.002 55.869 54.840 0.044 0.000 0.799 214 L CB -0.436 41.651 42.059 0.046 0.000 0.925 214 L HN 0.330 nan 8.230 nan 0.000 0.446 215 S N -1.564 114.050 115.700 -0.144 0.000 2.660 215 S HA -0.024 4.445 4.470 -0.000 0.000 0.223 215 S C 1.294 175.807 174.600 -0.146 0.000 0.963 215 S CA 0.140 58.220 58.200 -0.200 0.000 0.932 215 S CB 0.084 63.049 63.200 -0.393 0.000 0.775 215 S HN 0.360 nan 8.310 nan 0.000 0.531 216 Q N 0.296 120.021 119.800 -0.126 0.000 2.135 216 Q HA 0.377 4.716 4.340 -0.000 0.000 0.222 216 Q C -0.779 175.136 176.000 -0.141 0.000 0.808 216 Q CA -0.119 55.517 55.803 -0.279 0.000 1.049 216 Q CB 0.477 28.771 28.738 -0.740 0.000 1.168 216 Q HN 0.541 nan 8.270 nan 0.000 0.483 217 C N -0.468 118.825 119.300 -0.012 0.000 2.455 217 C HA 0.717 5.177 4.460 -0.000 0.000 0.320 217 C C 1.281 176.273 174.990 0.003 0.000 1.226 217 C CA -0.323 58.723 59.018 0.047 0.000 1.569 217 C CB 1.792 29.589 27.740 0.095 0.000 2.200 217 C HN 0.323 nan 8.230 nan 0.000 0.491 218 S N 0.156 115.856 115.700 0.001 0.000 2.546 218 S HA 0.066 4.536 4.470 -0.000 0.000 0.282 218 S C 0.992 175.581 174.600 -0.018 0.000 1.074 218 S CA -0.177 58.014 58.200 -0.014 0.000 1.254 218 S CB 0.064 63.251 63.200 -0.022 0.000 1.103 218 S HN 0.774 nan 8.310 nan 0.000 0.589 219 K N 1.644 122.038 120.400 -0.010 0.000 2.469 219 K HA 0.314 4.634 4.320 -0.000 0.000 0.201 219 K C -0.326 176.238 176.600 -0.059 0.000 1.028 219 K CA 0.017 56.289 56.287 -0.025 0.000 1.170 219 K CB 0.032 32.529 32.500 -0.005 0.000 0.874 219 K HN 0.283 nan 8.250 nan 0.000 0.507 220 L N 1.793 122.980 121.223 -0.059 0.000 2.455 220 L HA -0.028 4.312 4.340 -0.000 0.000 0.272 220 L C 1.271 178.040 176.870 -0.169 0.000 1.174 220 L CA 0.359 55.136 54.840 -0.106 0.000 0.869 220 L CB 0.718 42.742 42.059 -0.058 0.000 1.130 220 L HN 0.269 nan 8.230 nan 0.000 0.474 221 Q N 1.686 121.307 119.800 -0.298 0.000 2.442 221 Q HA 0.208 4.548 4.340 -0.000 0.000 0.228 221 Q C -0.323 175.449 176.000 -0.379 0.000 0.902 221 Q CA 0.287 55.899 55.803 -0.317 0.000 0.933 221 Q CB 0.813 29.325 28.738 -0.377 0.000 1.071 221 Q HN 0.601 nan 8.270 nan 0.000 0.562 222 N N 0.919 119.328 118.700 -0.486 0.000 2.480 222 N HA 0.409 5.149 4.740 -0.000 0.000 0.289 222 N C -1.871 173.400 175.510 -0.398 0.000 1.073 222 N CA -0.290 52.322 53.050 -0.729 0.000 0.885 222 N CB 2.674 40.322 38.487 -1.399 0.000 1.421 222 N HN -0.003 nan 8.380 nan 0.000 0.503 223 L N 0.809 121.928 121.223 -0.173 0.000 2.422 223 L HA 0.684 5.024 4.340 -0.000 0.000 0.264 223 L C -0.848 176.188 176.870 0.276 0.000 0.984 223 L CA -0.311 54.604 54.840 0.124 0.000 0.819 223 L CB 2.258 44.348 42.059 0.052 0.000 1.330 223 L HN 0.426 nan 8.230 nan 0.000 0.410 224 S N 4.612 120.503 115.700 0.318 0.000 2.647 224 S HA 0.634 5.104 4.470 -0.000 0.000 0.300 224 S C -0.427 174.248 174.600 0.124 0.000 1.129 224 S CA -0.562 57.781 58.200 0.238 0.000 1.029 224 S CB 0.684 64.016 63.200 0.220 0.000 1.007 224 S HN 0.708 nan 8.310 nan 0.000 0.484 225 L N 3.595 124.882 121.223 0.105 0.000 3.202 225 L HA 0.388 4.727 4.340 -0.000 0.000 0.278 225 L C 0.657 177.575 176.870 0.080 0.000 1.268 225 L CA -0.195 54.692 54.840 0.078 0.000 1.034 225 L CB 0.302 42.409 42.059 0.079 0.000 1.407 225 L HN 0.692 nan 8.230 nan 0.000 0.581 226 E N 1.411 121.657 120.200 0.077 0.000 2.558 226 E HA 0.099 4.449 4.350 -0.000 0.000 0.255 226 E C 1.134 177.767 176.600 0.056 0.000 0.968 226 E CA 0.981 57.428 56.400 0.077 0.000 0.939 226 E CB 0.370 30.107 29.700 0.062 0.000 0.921 226 E HN 0.440 nan 8.360 nan 0.000 0.477 227 G N 4.042 112.892 108.800 0.082 0.000 2.137 227 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.237 227 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.237 227 G C -0.181 174.765 174.900 0.076 0.000 1.002 227 G CA 0.241 45.388 45.100 0.078 0.000 0.702 227 G HN 0.458 nan 8.290 nan 0.000 0.515 228 L N -0.333 120.943 121.223 0.089 0.000 2.362 228 L HA 0.636 4.976 4.340 -0.000 0.000 0.275 228 L C 0.657 177.597 176.870 0.117 0.000 0.998 228 L CA -1.456 53.435 54.840 0.085 0.000 0.820 228 L CB 1.749 43.848 42.059 0.066 0.000 1.270 228 L HN 0.154 nan 8.230 nan 0.000 0.415 229 R N 3.066 123.637 120.500 0.118 0.000 2.489 229 R HA 0.471 4.811 4.340 -0.000 0.000 0.287 229 R C -1.030 175.351 176.300 0.136 0.000 1.053 229 R CA 0.512 56.688 56.100 0.127 0.000 1.036 229 R CB 0.187 30.562 30.300 0.125 0.000 0.966 229 R HN 0.579 nan 8.270 nan 0.000 0.432 230 L N 2.054 123.387 121.223 0.182 0.000 2.670 230 L HA 0.680 5.020 4.340 -0.000 0.000 0.251 230 L C -0.208 176.780 176.870 0.196 0.000 1.548 230 L CA -1.011 53.947 54.840 0.196 0.000 1.643 230 L CB 1.385 43.590 42.059 0.243 0.000 2.174 230 L HN 0.903 nan 8.230 nan 0.000 0.585 231 S N -2.749 113.069 115.700 0.198 0.000 2.597 231 S HA 0.200 4.670 4.470 -0.000 0.000 0.274 231 S C -0.530 174.154 174.600 0.139 0.000 1.132 231 S CA -0.772 57.524 58.200 0.161 0.000 0.835 231 S CB 1.356 64.599 63.200 0.071 0.000 1.092 231 S HN 0.528 nan 8.310 nan 0.000 0.457 232 D N 1.603 122.085 120.400 0.136 0.000 2.133 232 D HA -0.020 4.620 4.640 -0.000 0.000 0.192 232 D C -0.977 175.341 176.300 0.031 0.000 1.001 232 D CA 1.883 55.944 54.000 0.101 0.000 0.844 232 D CB -1.758 39.093 40.800 0.085 0.000 0.944 232 D HN 0.481 nan 8.370 nan 0.000 0.447 233 P HA -0.100 nan 4.420 nan 0.000 0.216 233 P C 1.697 179.009 177.300 0.021 0.000 1.153 233 P CA 0.893 63.902 63.100 -0.151 0.000 0.858 233 P CB 0.042 31.462 31.700 -0.468 0.000 0.789 234 I N -1.428 119.187 120.570 0.074 0.000 2.163 234 I HA -0.181 3.988 4.170 -0.000 0.000 0.240 234 I C 2.151 178.320 176.117 0.086 0.000 1.081 234 I CA 1.282 62.702 61.300 0.200 0.000 1.353 234 I CB -0.787 37.301 38.000 0.146 0.000 1.054 234 I HN -0.186 nan 8.210 nan 0.000 0.407 235 V N 1.396 121.307 119.914 -0.005 0.000 2.392 235 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 235 V C 2.182 178.245 176.094 -0.051 0.000 1.059 235 V CA 1.826 64.056 62.300 -0.117 0.000 1.051 235 V CB -0.899 30.761 31.823 -0.271 0.000 0.658 235 V HN 0.456 nan 8.190 nan 0.000 0.455 236 N N 0.307 119.010 118.700 0.005 0.000 2.084 236 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 236 N C 1.912 177.441 175.510 0.032 0.000 1.030 236 N CA 2.027 55.087 53.050 0.017 0.000 0.849 236 N CB -0.587 37.919 38.487 0.033 0.000 1.012 236 N HN 0.485 nan 8.380 nan 0.000 0.423 237 T N 2.177 116.777 114.554 0.077 0.000 2.849 237 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 237 T C 2.071 176.781 174.700 0.017 0.000 1.066 237 T CA 0.512 62.647 62.100 0.059 0.000 1.130 237 T CB -0.175 68.734 68.868 0.069 0.000 0.864 237 T HN 0.186 nan 8.240 nan 0.000 0.481 238 L N 0.608 121.836 121.223 0.009 0.000 2.191 238 L HA -0.077 4.262 4.340 -0.000 0.000 0.212 238 L C 2.984 179.842 176.870 -0.020 0.000 1.103 238 L CA 0.837 55.670 54.840 -0.012 0.000 0.769 238 L CB -0.656 41.381 42.059 -0.036 0.000 0.908 238 L HN 0.285 nan 8.230 nan 0.000 0.438 239 A N 0.416 123.225 122.820 -0.018 0.000 1.986 239 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 239 A C 2.222 179.797 177.584 -0.015 0.000 1.171 239 A CA 1.800 53.826 52.037 -0.018 0.000 0.640 239 A CB -0.351 18.641 19.000 -0.013 0.000 0.811 239 A HN 0.383 nan 8.150 nan 0.000 0.451 240 K N -0.083 120.310 120.400 -0.013 0.000 2.113 240 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 240 K C 0.075 176.664 176.600 -0.020 0.000 1.047 240 K CA 1.427 57.705 56.287 -0.015 0.000 0.928 240 K CB -0.346 32.144 32.500 -0.017 0.000 0.716 240 K HN 0.498 nan 8.250 nan 0.000 0.446 241 N N 1.079 119.765 118.700 -0.022 0.000 3.243 241 N HA -0.021 4.718 4.740 -0.000 0.000 0.310 241 N C 0.585 176.073 175.510 -0.036 0.000 1.313 241 N CA -0.031 53.000 53.050 -0.031 0.000 1.204 241 N CB 0.359 38.826 38.487 -0.034 0.000 1.483 241 N HN 0.140 nan 8.380 nan 0.000 0.553 242 S N -0.336 115.346 115.700 -0.029 0.000 2.440 242 S HA -0.153 4.317 4.470 -0.000 0.000 0.238 242 S C 1.335 175.913 174.600 -0.035 0.000 1.010 242 S CA 0.724 58.908 58.200 -0.027 0.000 0.972 242 S CB -0.069 63.120 63.200 -0.019 0.000 0.774 242 S HN 0.362 nan 8.310 nan 0.000 0.501 243 N N 1.415 120.089 118.700 -0.043 0.000 2.434 243 N HA 0.237 4.977 4.740 -0.000 0.000 0.196 243 N C -0.187 175.277 175.510 -0.077 0.000 1.183 243 N CA 0.060 53.077 53.050 -0.054 0.000 0.849 243 N CB -0.349 38.106 38.487 -0.054 0.000 0.992 243 N HN 0.501 nan 8.380 nan 0.000 0.460 244 L N 0.791 121.967 121.223 -0.078 0.000 2.559 244 L HA -0.028 4.312 4.340 -0.000 0.000 0.274 244 L C 1.466 178.273 176.870 -0.106 0.000 1.205 244 L CA -0.122 54.656 54.840 -0.103 0.000 0.907 244 L CB 0.869 42.880 42.059 -0.081 0.000 1.153 244 L HN -0.084 nan 8.230 nan 0.000 0.490 245 V N 3.703 123.527 119.914 -0.150 0.000 2.922 245 V HA 0.113 4.233 4.120 -0.000 0.000 0.242 245 V C 0.741 176.742 176.094 -0.155 0.000 1.094 245 V CA 0.829 63.046 62.300 -0.138 0.000 1.106 245 V CB 0.061 31.793 31.823 -0.150 0.000 0.799 245 V HN 0.701 nan 8.190 nan 0.000 0.474 246 R N 0.288 120.646 120.500 -0.236 0.000 2.532 246 R HA 0.628 4.968 4.340 -0.000 0.000 0.297 246 R C -1.778 174.422 176.300 -0.166 0.000 0.984 246 R CA -0.556 55.415 56.100 -0.215 0.000 0.884 246 R CB 2.471 32.544 30.300 -0.377 0.000 1.182 246 R HN 0.120 nan 8.270 nan 0.000 0.442 247 L N 2.671 123.873 121.223 -0.035 0.000 2.439 247 L HA 0.471 4.811 4.340 -0.000 0.000 0.270 247 L C -1.461 175.469 176.870 0.099 0.000 0.972 247 L CA -0.447 54.407 54.840 0.023 0.000 0.836 247 L CB 1.881 43.942 42.059 0.005 0.000 1.255 247 L HN 0.496 nan 8.230 nan 0.000 0.404 248 N N 5.567 124.358 118.700 0.152 0.000 2.476 248 N HA 0.415 5.155 4.740 -0.000 0.000 0.257 248 N C -0.715 174.884 175.510 0.149 0.000 0.970 248 N CA -0.265 52.887 53.050 0.171 0.000 0.938 248 N CB 1.129 39.743 38.487 0.211 0.000 1.144 248 N HN 0.814 nan 8.380 nan 0.000 0.500 249 L N 1.376 122.694 121.223 0.159 0.000 3.202 249 L HA 0.242 4.582 4.340 -0.000 0.000 0.278 249 L C 0.757 177.749 176.870 0.204 0.000 1.268 249 L CA -0.268 54.675 54.840 0.172 0.000 1.034 249 L CB 0.330 42.497 42.059 0.180 0.000 1.407 249 L HN 0.366 nan 8.230 nan 0.000 0.581 250 S N 0.397 116.208 115.700 0.185 0.000 2.546 250 S HA 0.261 4.731 4.470 -0.000 0.000 0.290 250 S C 1.462 176.163 174.600 0.168 0.000 1.290 250 S CA 1.089 59.406 58.200 0.194 0.000 1.069 250 S CB 0.504 63.817 63.200 0.188 0.000 0.846 250 S HN 0.744 nan 8.310 nan 0.000 0.495 251 G N 3.294 112.200 108.800 0.177 0.000 2.189 251 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.267 251 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.267 251 G C 0.573 175.529 174.900 0.094 0.000 0.975 251 G CA 0.268 45.471 45.100 0.173 0.000 0.644 251 G HN 0.895 nan 8.290 nan 0.000 0.537 252 C N 0.662 120.013 119.300 0.085 0.000 2.633 252 C HA 0.800 5.260 4.460 -0.000 0.000 0.345 252 C C 1.216 176.105 174.990 -0.168 0.000 1.384 252 C CA 0.590 59.663 59.018 0.090 0.000 2.418 252 C CB 1.037 28.944 27.740 0.279 0.000 2.425 252 C HN 1.420 nan 8.230 nan 0.000 0.705 253 S N -1.506 114.109 115.700 -0.142 0.000 2.703 253 S HA 0.691 5.161 4.470 -0.000 0.000 0.273 253 S C -0.013 174.514 174.600 -0.122 0.000 1.178 253 S CA 0.365 58.288 58.200 -0.460 0.000 0.838 253 S CB 0.827 63.509 63.200 -0.864 0.000 1.178 253 S HN 2.465 nan 8.310 nan 0.000 0.494 254 G N 0.011 108.711 108.800 -0.166 0.000 2.157 254 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.248 254 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.248 254 G C -0.255 174.750 174.900 0.176 0.000 0.979 254 G CA 0.437 45.561 45.100 0.040 0.000 0.650 254 G HN 1.809 nan 8.290 nan 0.000 0.529 255 F N 0.639 120.660 119.950 0.117 0.000 2.563 255 F HA 0.861 5.388 4.527 -0.000 0.000 0.316 255 F C 0.362 176.306 175.800 0.240 0.000 1.076 255 F CA -1.110 56.978 58.000 0.147 0.000 0.921 255 F CB 0.951 40.026 39.000 0.126 0.000 1.209 255 F HN 0.358 nan 8.300 nan 0.000 0.462 256 S N 0.573 116.488 115.700 0.358 0.000 2.634 256 S HA 0.150 4.620 4.470 -0.000 0.000 0.261 256 S C 0.907 175.476 174.600 -0.051 0.000 1.271 256 S CA -0.011 58.308 58.200 0.198 0.000 0.985 256 S CB 0.800 64.191 63.200 0.318 0.000 0.968 256 S HN 0.849 nan 8.310 nan 0.000 0.568 257 E N 0.468 120.250 120.200 -0.698 0.000 2.418 257 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 257 E C 1.135 177.410 176.600 -0.541 0.000 1.026 257 E CA 0.738 56.616 56.400 -0.870 0.000 0.862 257 E CB -0.594 28.413 29.700 -1.155 0.000 0.799 257 E HN 0.724 nan 8.360 nan 0.000 0.518 258 F N 2.098 121.936 119.950 -0.187 0.000 2.118 258 F HA 0.141 4.668 4.527 -0.000 0.000 0.293 258 F C 2.850 178.595 175.800 -0.092 0.000 1.102 258 F CA 0.915 58.834 58.000 -0.135 0.000 1.247 258 F CB -0.693 38.250 39.000 -0.094 0.000 1.017 258 F HN 0.086 nan 8.300 nan 0.000 0.475 259 A N 0.289 123.222 122.820 0.188 0.000 1.940 259 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 259 A C 2.088 179.679 177.584 0.012 0.000 1.176 259 A CA 1.612 53.707 52.037 0.098 0.000 0.631 259 A CB -1.059 18.021 19.000 0.134 0.000 0.814 259 A HN 0.383 nan 8.150 nan 0.000 0.446 260 L N -0.127 121.124 121.223 0.047 0.000 2.083 260 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 260 L C 2.403 179.213 176.870 -0.099 0.000 1.083 260 L CA 2.648 57.479 54.840 -0.015 0.000 0.752 260 L CB -0.796 41.336 42.059 0.122 0.000 0.899 260 L HN 0.612 nan 8.230 nan 0.000 0.433 261 Q N -1.139 118.560 119.800 -0.169 0.000 2.050 261 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 261 Q C 2.165 178.047 176.000 -0.197 0.000 0.980 261 Q CA 2.458 58.069 55.803 -0.319 0.000 0.840 261 Q CB -0.229 28.250 28.738 -0.432 0.000 0.898 261 Q HN 0.674 nan 8.270 nan 0.000 0.424 262 T N -0.361 114.134 114.554 -0.098 0.000 2.904 262 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 262 T C 1.800 176.475 174.700 -0.042 0.000 1.059 262 T CA 1.029 63.098 62.100 -0.051 0.000 1.137 262 T CB -0.214 68.642 68.868 -0.020 0.000 0.879 262 T HN 0.299 nan 8.240 nan 0.000 0.467 263 L N 0.933 122.122 121.223 -0.057 0.000 1.994 263 L HA 0.178 4.518 4.340 -0.000 0.000 0.208 263 L C 2.415 179.264 176.870 -0.034 0.000 1.071 263 L CA 1.745 56.552 54.840 -0.055 0.000 0.745 263 L CB -0.794 41.208 42.059 -0.094 0.000 0.892 263 L HN 0.337 nan 8.230 nan 0.000 0.431 264 L N -1.005 120.200 121.223 -0.029 0.000 2.083 264 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 264 L C 2.477 179.370 176.870 0.039 0.000 1.083 264 L CA 1.267 56.114 54.840 0.012 0.000 0.752 264 L CB -0.775 41.306 42.059 0.035 0.000 0.899 264 L HN 0.260 nan 8.230 nan 0.000 0.433 265 S N -0.825 114.898 115.700 0.038 0.000 2.382 265 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 265 S C 2.201 176.821 174.600 0.034 0.000 1.027 265 S CA 1.652 59.896 58.200 0.072 0.000 0.991 265 S CB -0.159 63.085 63.200 0.074 0.000 0.823 265 S HN 0.405 nan 8.310 nan 0.000 0.469 266 S N -0.114 115.592 115.700 0.011 0.000 2.428 266 S HA -0.032 4.438 4.470 -0.000 0.000 0.230 266 S C 0.845 175.443 174.600 -0.003 0.000 1.014 266 S CA 0.373 58.574 58.200 0.002 0.000 0.957 266 S CB -0.299 62.897 63.200 -0.007 0.000 0.784 266 S HN 0.555 nan 8.310 nan 0.000 0.499 267 C N 3.527 122.824 119.300 -0.004 0.000 2.484 267 C HA 0.395 4.855 4.460 -0.000 0.000 0.494 267 C C 1.742 176.730 174.990 -0.004 0.000 1.052 267 C CA -0.397 58.614 59.018 -0.011 0.000 1.307 267 C CB -1.457 26.272 27.740 -0.017 0.000 1.464 267 C HN 0.686 nan 8.230 nan 0.000 0.564 268 S N 0.884 116.582 115.700 -0.003 0.000 2.660 268 S HA -0.084 4.385 4.470 -0.000 0.000 0.223 268 S C 1.269 175.864 174.600 -0.008 0.000 0.963 268 S CA 0.087 58.286 58.200 -0.001 0.000 0.932 268 S CB -0.330 62.870 63.200 0.000 0.000 0.775 268 S HN 0.906 nan 8.310 nan 0.000 0.531 269 R N -0.453 120.037 120.500 -0.016 0.000 2.572 269 R HA 0.442 4.781 4.340 -0.000 0.000 0.370 269 R C -0.288 175.995 176.300 -0.028 0.000 1.005 269 R CA -0.726 55.361 56.100 -0.022 0.000 1.146 269 R CB -0.393 29.891 30.300 -0.027 0.000 1.390 269 R HN 0.248 nan 8.270 nan 0.000 0.553 270 L N 2.390 123.600 121.223 -0.022 0.000 2.559 270 L HA 0.004 4.344 4.340 -0.000 0.000 0.274 270 L C 0.622 177.482 176.870 -0.017 0.000 1.205 270 L CA 0.970 55.795 54.840 -0.025 0.000 0.907 270 L CB 1.042 43.095 42.059 -0.010 0.000 1.153 270 L HN 0.215 nan 8.230 nan 0.000 0.490 271 D N 1.979 122.361 120.400 -0.030 0.000 2.490 271 D HA 0.089 4.729 4.640 -0.000 0.000 0.244 271 D C -0.218 176.079 176.300 -0.005 0.000 0.979 271 D CA 0.651 54.639 54.000 -0.019 0.000 0.924 271 D CB 0.500 41.279 40.800 -0.035 0.000 1.075 271 D HN 0.677 nan 8.370 nan 0.000 0.488 272 E N -0.104 120.085 120.200 -0.019 0.000 2.183 272 E HA 0.482 4.832 4.350 -0.000 0.000 0.271 272 E C -1.315 175.301 176.600 0.026 0.000 0.919 272 E CA -0.899 55.502 56.400 0.003 0.000 0.781 272 E CB 2.728 32.423 29.700 -0.008 0.000 1.140 272 E HN 0.001 nan 8.360 nan 0.000 0.402 273 L N 3.179 124.438 121.223 0.061 0.000 2.491 273 L HA 0.328 4.668 4.340 -0.000 0.000 0.267 273 L C -1.593 175.350 176.870 0.121 0.000 0.971 273 L CA -0.186 54.705 54.840 0.084 0.000 0.857 273 L CB 1.526 43.634 42.059 0.081 0.000 1.226 273 L HN 0.499 nan 8.230 nan 0.000 0.408 274 N N 4.473 123.257 118.700 0.139 0.000 2.621 274 N HA 0.371 5.111 4.740 -0.000 0.000 0.237 274 N C -0.821 174.807 175.510 0.197 0.000 0.997 274 N CA -0.460 52.691 53.050 0.167 0.000 0.918 274 N CB 0.780 39.367 38.487 0.167 0.000 1.122 274 N HN 0.640 nan 8.380 nan 0.000 0.510 275 L N 3.776 125.138 121.223 0.233 0.000 3.100 275 L HA 0.351 4.691 4.340 -0.000 0.000 0.259 275 L C -0.344 176.755 176.870 0.381 0.000 1.316 275 L CA -0.286 54.740 54.840 0.311 0.000 0.992 275 L CB -0.211 42.041 42.059 0.322 0.000 1.390 275 L HN 0.423 nan 8.230 nan 0.000 0.550 276 S N -2.230 113.636 115.700 0.276 0.000 2.651 276 S HA 0.533 5.003 4.470 -0.000 0.000 0.291 276 S C -0.265 174.402 174.600 0.111 0.000 1.141 276 S CA -0.412 57.876 58.200 0.147 0.000 1.027 276 S CB 0.437 63.717 63.200 0.133 0.000 1.043 276 S HN 0.404 nan 8.310 nan 0.000 0.530 277 W N -0.537 120.533 121.300 -0.383 0.000 5.538 277 W HA -0.208 4.451 4.660 -0.000 0.000 0.377 277 W C -0.258 176.123 176.519 -0.230 0.000 1.406 277 W CA -0.461 56.679 57.345 -0.342 0.000 0.940 277 W CB -2.363 27.008 29.460 -0.147 0.000 2.536 277 W HN 0.672 nan 8.180 nan 0.000 1.504 278 C N 2.449 121.615 119.300 -0.223 0.000 2.311 278 C HA 0.126 4.586 4.460 -0.000 0.000 0.357 278 C C 2.177 176.764 174.990 -0.673 0.000 1.086 278 C CA -0.201 58.461 59.018 -0.595 0.000 1.486 278 C CB -2.178 24.926 27.740 -1.060 0.000 1.974 278 C HN 0.424 nan 8.230 nan 0.000 0.508 279 F N 0.700 120.524 119.950 -0.209 0.000 2.307 279 F HA -0.126 4.401 4.527 -0.000 0.000 0.301 279 F C 1.522 177.224 175.800 -0.163 0.000 1.076 279 F CA 1.659 59.591 58.000 -0.113 0.000 1.383 279 F CB -0.767 38.225 39.000 -0.015 0.000 1.055 279 F HN 0.437 nan 8.300 nan 0.000 0.526 280 D N 0.011 119.931 120.400 -0.801 0.000 2.310 280 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 280 D C 0.405 176.502 176.300 -0.339 0.000 0.965 280 D CA 0.841 54.513 54.000 -0.548 0.000 0.879 280 D CB -0.095 40.239 40.800 -0.775 0.000 0.921 280 D HN 0.331 nan 8.370 nan 0.000 0.510 281 F N -1.427 118.240 119.950 -0.471 0.000 2.618 281 F HA 0.586 5.113 4.527 -0.000 0.000 0.332 281 F C 0.580 176.184 175.800 -0.326 0.000 1.061 281 F CA -1.235 56.345 58.000 -0.700 0.000 0.974 281 F CB 0.176 38.035 39.000 -1.903 0.000 1.310 281 F HN -0.260 nan 8.300 nan 0.000 0.491 282 T N -2.000 112.612 114.554 0.096 0.000 2.924 282 T HA 0.330 4.680 4.350 -0.000 0.000 0.301 282 T C 0.685 175.431 174.700 0.078 0.000 1.120 282 T CA 0.118 62.303 62.100 0.143 0.000 0.940 282 T CB 0.423 69.377 68.868 0.143 0.000 1.591 282 T HN 0.727 nan 8.240 nan 0.000 0.578 283 E N 0.311 120.530 120.200 0.031 0.000 2.047 283 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 283 E C 2.303 178.845 176.600 -0.097 0.000 0.987 283 E CA 0.932 57.316 56.400 -0.028 0.000 0.799 283 E CB -0.160 29.529 29.700 -0.018 0.000 0.752 283 E HN 0.579 nan 8.360 nan 0.000 0.449 284 K N 0.335 120.669 120.400 -0.110 0.000 2.074 284 K HA -0.212 4.107 4.320 -0.000 0.000 0.209 284 K C 2.051 178.433 176.600 -0.362 0.000 1.048 284 K CA 1.734 57.880 56.287 -0.234 0.000 0.926 284 K CB -0.273 32.054 32.500 -0.288 0.000 0.713 284 K HN 0.237 nan 8.250 nan 0.000 0.444 285 H N -0.202 118.565 119.070 -0.504 0.000 2.357 285 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 285 H C 2.082 176.971 175.328 -0.731 0.000 1.082 285 H CA 1.332 56.885 56.048 -0.825 0.000 1.342 285 H CB -0.285 28.431 29.762 -1.744 0.000 1.389 285 H HN -0.090 nan 8.280 nan 0.000 0.511 286 V N 0.927 120.573 119.914 -0.447 0.000 2.343 286 V HA -0.273 3.846 4.120 -0.000 0.000 0.247 286 V C 2.100 178.082 176.094 -0.187 0.000 1.051 286 V CA 1.896 64.003 62.300 -0.321 0.000 1.036 286 V CB -0.500 31.193 31.823 -0.216 0.000 0.654 286 V HN 0.507 nan 8.190 nan 0.000 0.451 287 Q N -0.406 119.294 119.800 -0.166 0.000 2.046 287 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 287 Q C 2.406 178.353 176.000 -0.089 0.000 0.975 287 Q CA 1.699 57.436 55.803 -0.110 0.000 0.836 287 Q CB -0.451 28.223 28.738 -0.107 0.000 0.896 287 Q HN 0.524 nan 8.270 nan 0.000 0.428 288 V N 1.471 121.293 119.914 -0.153 0.000 2.392 288 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 288 V C 2.345 178.438 176.094 -0.002 0.000 1.059 288 V CA 1.814 64.058 62.300 -0.093 0.000 1.051 288 V CB -1.066 30.581 31.823 -0.292 0.000 0.658 288 V HN 0.410 nan 8.190 nan 0.000 0.455 289 A N 0.732 123.496 122.820 -0.093 0.000 1.851 289 A HA -0.194 4.125 4.320 -0.000 0.000 0.216 289 A C 2.371 179.968 177.584 0.023 0.000 1.195 289 A CA 2.597 54.615 52.037 -0.031 0.000 0.622 289 A CB -0.928 18.034 19.000 -0.063 0.000 0.831 289 A HN 0.693 nan 8.150 nan 0.000 0.444 290 V N -2.688 117.226 119.914 0.001 0.000 2.759 290 V HA 0.073 4.193 4.120 -0.000 0.000 0.256 290 V C 2.386 178.477 176.094 -0.005 0.000 1.080 290 V CA 1.694 63.999 62.300 0.009 0.000 1.101 290 V CB -1.310 30.512 31.823 -0.000 0.000 0.698 290 V HN 0.538 nan 8.190 nan 0.000 0.477 291 A N 0.012 122.836 122.820 0.006 0.000 1.970 291 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 291 A C 1.781 179.182 177.584 -0.304 0.000 1.170 291 A CA 1.627 53.600 52.037 -0.108 0.000 0.645 291 A CB -0.579 18.389 19.000 -0.054 0.000 0.816 291 A HN 0.758 nan 8.150 nan 0.000 0.447 292 H N -2.021 117.027 119.070 -0.037 0.000 2.923 292 H HA 0.348 4.904 4.556 -0.000 0.000 0.268 292 H C -0.138 175.181 175.328 -0.014 0.000 1.148 292 H CA -0.481 55.552 56.048 -0.026 0.000 1.146 292 H CB 0.190 29.932 29.762 -0.034 0.000 1.607 292 H HN 0.139 nan 8.280 nan 0.000 0.566 293 V N 1.518 121.481 119.914 0.082 0.000 2.655 293 V HA -0.038 4.082 4.120 -0.000 0.000 0.300 293 V C 0.988 177.105 176.094 0.038 0.000 1.044 293 V CA -0.106 62.230 62.300 0.060 0.000 1.095 293 V CB 1.303 33.159 31.823 0.056 0.000 0.952 293 V HN 0.437 nan 8.190 nan 0.000 0.485 294 S N 3.175 118.894 115.700 0.033 0.000 2.558 294 S HA -0.008 4.462 4.470 -0.000 0.000 0.288 294 S C 1.130 175.741 174.600 0.018 0.000 1.318 294 S CA -0.142 58.069 58.200 0.020 0.000 1.056 294 S CB 0.287 63.495 63.200 0.013 0.000 0.853 294 S HN 0.816 nan 8.310 nan 0.000 0.505 295 E N 2.023 122.230 120.200 0.010 0.000 2.515 295 E HA -0.083 4.266 4.350 -0.000 0.000 0.201 295 E C 1.612 178.220 176.600 0.013 0.000 1.071 295 E CA 1.167 57.575 56.400 0.014 0.000 0.880 295 E CB -0.231 29.474 29.700 0.008 0.000 0.828 295 E HN 0.923 nan 8.360 nan 0.000 0.540 296 T N -0.948 113.611 114.554 0.008 0.000 3.088 296 T HA 0.014 4.364 4.350 -0.000 0.000 0.259 296 T C 0.894 175.598 174.700 0.007 0.000 1.122 296 T CA -0.355 61.745 62.100 -0.000 0.000 1.095 296 T CB -0.106 68.757 68.868 -0.008 0.000 0.930 296 T HN -0.069 nan 8.240 nan 0.000 0.508 297 I N 4.077 124.660 120.570 0.021 0.000 2.752 297 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 297 I C 1.419 177.566 176.117 0.050 0.000 1.197 297 I CA 0.576 61.897 61.300 0.034 0.000 1.432 297 I CB 1.004 39.032 38.000 0.048 0.000 1.359 297 I HN 0.420 nan 8.210 nan 0.000 0.571 298 T N 3.021 117.609 114.554 0.057 0.000 2.986 298 T HA 0.308 4.658 4.350 -0.000 0.000 0.264 298 T C 0.327 175.111 174.700 0.141 0.000 0.964 298 T CA -0.202 61.952 62.100 0.089 0.000 0.895 298 T CB 0.012 68.921 68.868 0.068 0.000 1.163 298 T HN 0.593 nan 8.240 nan 0.000 0.517 299 Q N 1.042 120.905 119.800 0.104 0.000 2.295 299 Q HA 0.634 4.974 4.340 -0.000 0.000 0.259 299 Q C -2.206 173.858 176.000 0.107 0.000 0.966 299 Q CA -0.755 55.118 55.803 0.117 0.000 0.763 299 Q CB 2.674 31.393 28.738 -0.032 0.000 1.283 299 Q HN 0.322 nan 8.270 nan 0.000 0.445 300 L N 2.540 123.847 121.223 0.139 0.000 2.410 300 L HA 0.596 4.936 4.340 -0.000 0.000 0.270 300 L C -1.624 175.332 176.870 0.144 0.000 0.983 300 L CA -0.243 54.675 54.840 0.131 0.000 0.822 300 L CB 1.927 44.061 42.059 0.124 0.000 1.285 300 L HN 0.481 nan 8.230 nan 0.000 0.409 301 N N 5.682 124.472 118.700 0.150 0.000 2.518 301 N HA 0.339 5.079 4.740 -0.000 0.000 0.254 301 N C -1.154 174.463 175.510 0.178 0.000 0.979 301 N CA -0.224 52.918 53.050 0.154 0.000 0.930 301 N CB 1.127 39.710 38.487 0.159 0.000 1.152 301 N HN 0.847 nan 8.380 nan 0.000 0.505 302 L N 2.424 123.751 121.223 0.172 0.000 3.209 302 L HA 0.182 4.521 4.340 -0.000 0.000 0.279 302 L C 0.541 177.489 176.870 0.131 0.000 1.301 302 L CA -0.215 54.787 54.840 0.269 0.000 1.004 302 L CB 0.143 42.364 42.059 0.271 0.000 1.402 302 L HN 0.436 nan 8.230 nan 0.000 0.577 303 S N -1.541 114.097 115.700 -0.103 0.000 2.603 303 S HA 0.584 5.054 4.470 -0.000 0.000 0.268 303 S C 1.167 175.013 174.600 -1.257 0.000 1.317 303 S CA 0.414 58.375 58.200 -0.398 0.000 1.012 303 S CB 1.716 64.829 63.200 -0.144 0.000 0.926 303 S HN 0.535 nan 8.310 nan 0.000 0.539 304 G N 0.084 107.987 108.800 -1.496 0.000 2.176 304 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.232 304 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.232 304 G C -0.318 173.703 174.900 -1.465 0.000 0.986 304 G CA -0.026 43.566 45.100 -2.513 0.000 0.643 304 G HN 0.820 nan 8.290 nan 0.000 0.522 305 Y N 1.335 121.352 120.300 -0.471 0.000 2.721 305 Y HA 0.626 5.176 4.550 -0.000 0.000 0.328 305 Y C 1.592 177.408 175.900 -0.141 0.000 1.003 305 Y CA -1.087 56.884 58.100 -0.215 0.000 1.275 305 Y CB 0.659 39.075 38.460 -0.073 0.000 1.097 305 Y HN 0.108 nan 8.280 nan 0.000 0.514 306 R N 1.602 122.080 120.500 -0.036 0.000 2.340 306 R HA -0.190 4.150 4.340 -0.000 0.000 0.199 306 R C 1.897 178.224 176.300 0.044 0.000 0.998 306 R CA 1.804 57.904 56.100 -0.000 0.000 0.874 306 R CB -0.282 30.033 30.300 0.025 0.000 0.721 306 R HN 0.497 nan 8.270 nan 0.000 0.473 307 K N 0.731 121.164 120.400 0.054 0.000 2.515 307 K HA -0.021 4.299 4.320 -0.000 0.000 0.196 307 K C 0.778 177.411 176.600 0.054 0.000 1.038 307 K CA 1.489 57.806 56.287 0.051 0.000 0.967 307 K CB -0.178 32.352 32.500 0.050 0.000 0.780 307 K HN 0.186 nan 8.250 nan 0.000 0.483 308 N N 0.165 118.911 118.700 0.077 0.000 2.412 308 N HA 0.024 4.764 4.740 -0.000 0.000 0.184 308 N C -0.606 174.935 175.510 0.052 0.000 1.101 308 N CA 0.147 53.239 53.050 0.070 0.000 0.881 308 N CB 0.234 38.783 38.487 0.104 0.000 0.969 308 N HN 0.227 nan 8.380 nan 0.000 0.459 309 L N 2.465 123.728 121.223 0.067 0.000 2.301 309 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 309 L C -0.450 176.437 176.870 0.028 0.000 1.022 309 L CA -0.438 54.434 54.840 0.053 0.000 0.854 309 L CB 0.735 42.854 42.059 0.100 0.000 1.226 309 L HN -0.158 nan 8.230 nan 0.000 0.429 310 Q N 2.592 122.396 119.800 0.007 0.000 2.256 310 Q HA 0.128 4.468 4.340 -0.000 0.000 0.232 310 Q C 0.779 176.769 176.000 -0.018 0.000 0.965 310 Q CA -0.211 55.588 55.803 -0.006 0.000 0.908 310 Q CB 1.095 29.824 28.738 -0.014 0.000 1.209 310 Q HN 0.618 nan 8.270 nan 0.000 0.489 311 K N 0.668 121.048 120.400 -0.033 0.000 2.057 311 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 311 K C 1.737 178.300 176.600 -0.062 0.000 1.049 311 K CA 1.778 58.029 56.287 -0.061 0.000 0.931 311 K CB -0.032 32.424 32.500 -0.074 0.000 0.714 311 K HN 0.648 nan 8.250 nan 0.000 0.440 312 S N 0.975 116.646 115.700 -0.048 0.000 2.400 312 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 312 S C 1.402 175.979 174.600 -0.039 0.000 1.025 312 S CA 1.587 59.761 58.200 -0.044 0.000 0.993 312 S CB -0.387 62.792 63.200 -0.036 0.000 0.808 312 S HN 0.344 nan 8.310 nan 0.000 0.478 313 D N 1.212 121.593 120.400 -0.032 0.000 2.219 313 D HA 0.037 4.677 4.640 -0.000 0.000 0.205 313 D C 1.835 178.126 176.300 -0.015 0.000 0.970 313 D CA 0.577 54.563 54.000 -0.023 0.000 0.851 313 D CB -0.205 40.584 40.800 -0.017 0.000 0.943 313 D HN 0.374 nan 8.370 nan 0.000 0.488 314 L N 0.585 121.792 121.223 -0.027 0.000 2.240 314 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 314 L C 2.026 178.864 176.870 -0.054 0.000 1.106 314 L CA 0.661 55.481 54.840 -0.033 0.000 0.793 314 L CB 0.072 42.074 42.059 -0.095 0.000 0.927 314 L HN -0.101 nan 8.230 nan 0.000 0.446 315 S N -0.643 115.020 115.700 -0.062 0.000 2.357 315 S HA -0.144 4.326 4.470 -0.000 0.000 0.221 315 S C 1.784 176.364 174.600 -0.032 0.000 1.031 315 S CA 1.654 59.820 58.200 -0.057 0.000 0.982 315 S CB -0.225 62.941 63.200 -0.056 0.000 0.853 315 S HN 0.476 nan 8.310 nan 0.000 0.458 316 T N 3.557 118.093 114.554 -0.030 0.000 2.607 316 T HA -0.123 4.226 4.350 -0.000 0.000 0.267 316 T C 1.748 176.440 174.700 -0.013 0.000 1.049 316 T CA 1.275 63.359 62.100 -0.027 0.000 1.162 316 T CB -0.713 68.135 68.868 -0.032 0.000 0.863 316 T HN 0.198 nan 8.240 nan 0.000 0.424 317 L N 1.110 122.333 121.223 0.000 0.000 1.990 317 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 317 L C 2.518 179.409 176.870 0.036 0.000 1.072 317 L CA 1.760 56.615 54.840 0.025 0.000 0.755 317 L CB -0.526 41.562 42.059 0.048 0.000 0.889 317 L HN 0.169 nan 8.230 nan 0.000 0.432 318 V N -0.240 119.693 119.914 0.032 0.000 2.490 318 V HA -0.276 3.844 4.120 -0.000 0.000 0.250 318 V C 2.652 178.766 176.094 0.033 0.000 1.061 318 V CA 1.955 64.281 62.300 0.043 0.000 1.064 318 V CB -0.800 31.034 31.823 0.019 0.000 0.670 318 V HN 0.482 nan 8.190 nan 0.000 0.461 319 R N 0.099 120.607 120.500 0.013 0.000 2.062 319 R HA -0.056 4.283 4.340 -0.000 0.000 0.229 319 R C 2.539 178.845 176.300 0.010 0.000 1.128 319 R CA 1.222 57.327 56.100 0.008 0.000 0.960 319 R CB -0.051 30.244 30.300 -0.008 0.000 0.855 319 R HN 0.419 nan 8.270 nan 0.000 0.432 320 R N -1.083 119.419 120.500 0.003 0.000 2.153 320 R HA 0.069 4.409 4.340 -0.000 0.000 0.218 320 R C 0.352 176.663 176.300 0.018 0.000 1.072 320 R CA 0.520 56.619 56.100 -0.001 0.000 0.990 320 R CB 0.355 30.641 30.300 -0.023 0.000 0.889 320 R HN 0.158 nan 8.270 nan 0.000 0.452 321 C N 2.061 121.383 119.300 0.037 0.000 2.787 321 C HA 0.273 4.733 4.460 -0.000 0.000 0.265 321 C C -1.348 173.692 174.990 0.083 0.000 1.190 321 C CA -1.396 57.655 59.018 0.055 0.000 1.616 321 C CB 1.089 28.865 27.740 0.059 0.000 1.732 321 C HN 0.271 nan 8.230 nan 0.000 0.433 322 P HA -0.070 nan 4.420 nan 0.000 0.237 322 P C 0.560 177.984 177.300 0.206 0.000 1.178 322 P CA 1.217 64.401 63.100 0.140 0.000 0.766 322 P CB 0.265 32.045 31.700 0.133 0.000 0.876 323 N N 0.000 118.780 118.700 0.133 0.000 2.270 323 N HA 0.113 4.853 4.740 -0.000 0.000 0.198 323 N C 0.600 176.184 175.510 0.124 0.000 1.117 323 N CA -0.052 53.056 53.050 0.097 0.000 0.845 323 N CB 0.235 38.714 38.487 -0.014 0.000 0.980 323 N HN 0.277 nan 8.380 nan 0.000 0.486 324 L N 1.242 122.556 121.223 0.152 0.000 2.513 324 L HA 0.014 4.354 4.340 -0.000 0.000 0.272 324 L C 1.406 178.380 176.870 0.174 0.000 1.187 324 L CA -0.134 54.798 54.840 0.153 0.000 0.895 324 L CB 0.828 42.973 42.059 0.144 0.000 1.147 324 L HN -0.119 nan 8.230 nan 0.000 0.483 325 V N 1.477 121.510 119.914 0.198 0.000 3.212 325 V HA 0.055 4.174 4.120 -0.000 0.000 0.244 325 V C 0.020 176.203 176.094 0.148 0.000 1.151 325 V CA 0.407 62.825 62.300 0.197 0.000 1.119 325 V CB -0.115 31.876 31.823 0.280 0.000 0.838 325 V HN 0.680 nan 8.190 nan 0.000 0.470 326 H N 0.080 119.235 119.070 0.142 0.000 2.529 326 H HA 0.756 5.311 4.556 -0.000 0.000 0.348 326 H C -1.110 174.272 175.328 0.090 0.000 1.079 326 H CA -0.585 55.550 56.048 0.144 0.000 1.198 326 H CB 1.968 31.804 29.762 0.124 0.000 1.521 326 H HN 0.083 nan 8.280 nan 0.000 0.514 327 L N 3.116 124.416 121.223 0.128 0.000 2.491 327 L HA 0.343 4.682 4.340 -0.000 0.000 0.267 327 L C -1.444 175.450 176.870 0.040 0.000 0.971 327 L CA -0.411 54.480 54.840 0.084 0.000 0.857 327 L CB 1.584 43.667 42.059 0.041 0.000 1.226 327 L HN 0.628 nan 8.230 nan 0.000 0.408 328 D N 5.233 125.684 120.400 0.085 0.000 2.349 328 D HA 0.359 4.999 4.640 -0.000 0.000 0.232 328 D C -0.161 176.180 176.300 0.069 0.000 1.071 328 D CA -0.124 53.917 54.000 0.069 0.000 0.832 328 D CB 1.416 42.278 40.800 0.104 0.000 1.086 328 D HN 0.700 nan 8.370 nan 0.000 0.504 329 L N 2.466 123.716 121.223 0.045 0.000 3.202 329 L HA 0.159 4.499 4.340 -0.000 0.000 0.278 329 L C 0.583 177.462 176.870 0.014 0.000 1.268 329 L CA -0.301 54.575 54.840 0.060 0.000 1.034 329 L CB 0.600 42.739 42.059 0.134 0.000 1.407 329 L HN 0.157 nan 8.230 nan 0.000 0.581 330 S N 0.848 116.551 115.700 0.006 0.000 2.558 330 S HA -0.055 4.415 4.470 -0.000 0.000 0.291 330 S C 0.559 175.111 174.600 -0.081 0.000 1.306 330 S CA 0.259 58.457 58.200 -0.003 0.000 1.056 330 S CB 0.199 63.443 63.200 0.073 0.000 0.836 330 S HN 0.482 nan 8.310 nan 0.000 0.504 331 D N 0.375 120.713 120.400 -0.103 0.000 2.981 331 D HA -0.126 4.514 4.640 -0.000 0.000 0.223 331 D C -0.688 175.511 176.300 -0.167 0.000 1.151 331 D CA 0.683 54.586 54.000 -0.163 0.000 0.827 331 D CB -1.535 39.156 40.800 -0.182 0.000 1.101 331 D HN 0.438 nan 8.370 nan 0.000 0.426 332 S N 0.489 116.128 115.700 -0.101 0.000 3.940 332 S HA 0.248 4.718 4.470 -0.000 0.000 0.210 332 S C 1.775 176.361 174.600 -0.023 0.000 1.419 332 S CA -0.539 57.640 58.200 -0.036 0.000 0.912 332 S CB 1.265 64.479 63.200 0.024 0.000 1.489 332 S HN 0.145 nan 8.310 nan 0.000 0.469 333 V N 2.198 122.094 119.914 -0.030 0.000 2.357 333 V HA -0.299 3.821 4.120 -0.000 0.000 0.257 333 V C 2.321 178.437 176.094 0.035 0.000 1.082 333 V CA 1.815 64.123 62.300 0.015 0.000 1.078 333 V CB -0.521 31.337 31.823 0.058 0.000 0.663 333 V HN 0.673 nan 8.190 nan 0.000 0.455 334 M N -1.169 118.447 119.600 0.027 0.000 2.175 334 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 334 M C 1.001 177.307 176.300 0.009 0.000 1.063 334 M CA 0.880 56.192 55.300 0.020 0.000 1.119 334 M CB -0.960 31.649 32.600 0.015 0.000 1.377 334 M HN 0.214 nan 8.290 nan 0.000 0.415 335 L N 1.580 122.813 121.223 0.017 0.000 2.559 335 L HA -0.058 4.282 4.340 -0.000 0.000 0.274 335 L C 0.644 177.513 176.870 -0.003 0.000 1.205 335 L CA 0.573 55.421 54.840 0.014 0.000 0.907 335 L CB -0.217 41.886 42.059 0.073 0.000 1.153 335 L HN 0.200 nan 8.230 nan 0.000 0.490 336 K N 1.963 122.321 120.400 -0.071 0.000 2.312 336 K HA 0.237 4.557 4.320 -0.000 0.000 0.236 336 K C 0.883 177.284 176.600 -0.332 0.000 1.079 336 K CA -0.849 55.358 56.287 -0.133 0.000 0.900 336 K CB 0.713 33.137 32.500 -0.127 0.000 1.297 336 K HN 0.563 nan 8.250 nan 0.000 0.498 337 N N 0.902 119.280 118.700 -0.537 0.000 2.550 337 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 337 N C 0.370 175.271 175.510 -1.015 0.000 1.110 337 N CA 1.092 53.343 53.050 -1.331 0.000 0.912 337 N CB -0.257 37.647 38.487 -0.972 0.000 0.968 337 N HN 0.545 nan 8.380 nan 0.000 0.448 338 D N -0.435 119.675 120.400 -0.484 0.000 2.338 338 D HA -0.002 4.638 4.640 -0.000 0.000 0.239 338 D C 0.789 176.923 176.300 -0.277 0.000 1.095 338 D CA -0.246 53.576 54.000 -0.297 0.000 0.888 338 D CB -0.797 39.894 40.800 -0.182 0.000 0.899 338 D HN 0.252 nan 8.370 nan 0.000 0.525 339 C N -0.666 118.431 119.300 -0.338 0.000 2.611 339 C HA 0.164 4.624 4.460 -0.000 0.000 0.282 339 C C 1.943 176.687 174.990 -0.410 0.000 1.321 339 C CA -0.454 58.362 59.018 -0.336 0.000 1.747 339 C CB -0.955 26.616 27.740 -0.283 0.000 2.124 339 C HN 0.208 nan 8.230 nan 0.000 0.531 340 F N 2.932 122.591 119.950 -0.485 0.000 2.236 340 F HA -0.199 4.328 4.527 -0.000 0.000 0.302 340 F C 2.546 177.583 175.800 -1.272 0.000 1.073 340 F CA 1.370 58.956 58.000 -0.690 0.000 1.336 340 F CB -1.460 37.291 39.000 -0.414 0.000 1.040 340 F HN 0.522 nan 8.300 nan 0.000 0.507 341 Q N -0.344 119.167 119.800 -0.482 0.000 2.436 341 Q HA -0.162 4.178 4.340 -0.000 0.000 0.209 341 Q C 1.498 177.374 176.000 -0.206 0.000 0.965 341 Q CA 1.348 57.014 55.803 -0.229 0.000 0.910 341 Q CB -0.329 28.403 28.738 -0.010 0.000 0.980 341 Q HN 0.274 nan 8.270 nan 0.000 0.491 342 E N 0.515 120.496 120.200 -0.365 0.000 2.166 342 E HA 0.078 4.428 4.350 -0.000 0.000 0.192 342 E C 1.125 177.610 176.600 -0.192 0.000 0.967 342 E CA 0.556 56.789 56.400 -0.279 0.000 0.840 342 E CB -0.010 29.461 29.700 -0.381 0.000 0.795 342 E HN 0.448 nan 8.360 nan 0.000 0.470 343 F N -0.822 119.016 119.950 -0.187 0.000 2.407 343 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 343 F C 1.431 177.231 175.800 -0.001 0.000 1.097 343 F CA 0.290 58.214 58.000 -0.128 0.000 1.422 343 F CB -0.059 38.814 39.000 -0.211 0.000 1.067 343 F HN 0.050 nan 8.300 nan 0.000 0.539 344 F N 0.042 120.085 119.950 0.156 0.000 2.325 344 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 344 F C 1.990 177.810 175.800 0.033 0.000 1.090 344 F CA 0.320 58.364 58.000 0.074 0.000 1.392 344 F CB -0.378 38.657 39.000 0.057 0.000 1.053 344 F HN -0.026 nan 8.300 nan 0.000 0.521 345 Q N 0.695 120.614 119.800 0.198 0.000 2.415 345 Q HA 0.086 4.425 4.340 -0.000 0.000 0.206 345 Q C -0.126 175.927 176.000 0.088 0.000 0.946 345 Q CA 0.284 56.153 55.803 0.110 0.000 0.951 345 Q CB 0.132 28.912 28.738 0.070 0.000 1.026 345 Q HN 0.426 nan 8.270 nan 0.000 0.510 346 L N 1.505 122.794 121.223 0.111 0.000 2.277 346 L HA 0.277 4.617 4.340 -0.000 0.000 0.284 346 L C 0.427 177.293 176.870 -0.007 0.000 1.028 346 L CA -0.461 54.433 54.840 0.090 0.000 0.835 346 L CB 0.935 43.078 42.059 0.140 0.000 1.215 346 L HN 0.077 nan 8.230 nan 0.000 0.425 347 N N 2.133 120.734 118.700 -0.166 0.000 2.314 347 N HA 0.041 4.780 4.740 -0.000 0.000 0.200 347 N C 0.080 175.125 175.510 -0.774 0.000 1.135 347 N CA 0.516 53.292 53.050 -0.457 0.000 0.835 347 N CB 0.485 38.625 38.487 -0.578 0.000 0.989 347 N HN 0.607 nan 8.380 nan 0.000 0.478 348 Y N -0.607 119.707 120.300 0.023 0.000 2.610 348 Y HA 0.255 4.805 4.550 -0.000 0.000 0.254 348 Y C 0.226 176.119 175.900 -0.011 0.000 1.110 348 Y CA -0.850 57.256 58.100 0.009 0.000 1.238 348 Y CB 0.459 38.935 38.460 0.026 0.000 1.322 348 Y HN -0.089 nan 8.280 nan 0.000 0.547 349 L N 3.206 124.471 121.223 0.070 0.000 2.477 349 L HA 0.074 4.414 4.340 -0.000 0.000 0.272 349 L C 0.884 177.694 176.870 -0.100 0.000 1.157 349 L CA 0.999 55.841 54.840 0.003 0.000 0.889 349 L CB 0.627 42.685 42.059 -0.002 0.000 1.158 349 L HN 0.481 nan 8.230 nan 0.000 0.473 350 Q N 2.354 122.020 119.800 -0.223 0.000 2.113 350 Q HA 0.267 4.607 4.340 -0.000 0.000 0.225 350 Q C -0.774 174.763 176.000 -0.772 0.000 0.786 350 Q CA -0.206 55.331 55.803 -0.443 0.000 0.989 350 Q CB 0.474 28.930 28.738 -0.470 0.000 1.174 350 Q HN 0.769 nan 8.270 nan 0.000 0.470 351 H N 0.519 119.448 119.070 -0.235 0.000 3.018 351 H HA 0.575 5.131 4.556 -0.000 0.000 0.334 351 H C -1.991 173.210 175.328 -0.211 0.000 0.983 351 H CA -0.701 55.189 56.048 -0.263 0.000 1.363 351 H CB 2.200 31.676 29.762 -0.478 0.000 1.668 351 H HN 0.084 nan 8.280 nan 0.000 0.513 352 L N 1.964 123.117 121.223 -0.116 0.000 2.401 352 L HA 0.721 5.061 4.340 -0.000 0.000 0.266 352 L C -0.938 175.837 176.870 -0.159 0.000 0.991 352 L CA -0.219 54.495 54.840 -0.210 0.000 0.818 352 L CB 2.327 44.140 42.059 -0.411 0.000 1.321 352 L HN 0.548 nan 8.230 nan 0.000 0.413 353 S N 4.680 120.300 115.700 -0.133 0.000 2.594 353 S HA 0.649 5.119 4.470 -0.000 0.000 0.296 353 S C -0.204 174.358 174.600 -0.064 0.000 1.124 353 S CA -0.349 57.808 58.200 -0.073 0.000 1.011 353 S CB 1.187 64.392 63.200 0.008 0.000 1.016 353 S HN 0.613 nan 8.310 nan 0.000 0.485 354 L N 1.707 122.895 121.223 -0.058 0.000 3.366 354 L HA 0.290 4.629 4.340 -0.000 0.000 0.304 354 L C 0.202 177.063 176.870 -0.016 0.000 1.292 354 L CA -0.171 54.658 54.840 -0.018 0.000 1.012 354 L CB 0.719 42.778 42.059 0.000 0.000 1.414 354 L HN 0.450 nan 8.230 nan 0.000 0.603 355 S N 0.697 116.402 115.700 0.007 0.000 2.552 355 S HA 0.136 4.606 4.470 -0.000 0.000 0.289 355 S C 0.940 175.511 174.600 -0.049 0.000 1.304 355 S CA 0.017 58.242 58.200 0.043 0.000 1.063 355 S CB 0.360 63.661 63.200 0.168 0.000 0.848 355 S HN 0.463 nan 8.310 nan 0.000 0.499 356 R N -0.427 119.997 120.500 -0.127 0.000 3.758 356 R HA -0.175 4.165 4.340 -0.000 0.000 0.299 356 R C -0.804 175.016 176.300 -0.801 0.000 1.182 356 R CA 0.509 56.288 56.100 -0.536 0.000 0.809 356 R CB -2.461 27.647 30.300 -0.320 0.000 1.249 356 R HN 0.595 nan 8.270 nan 0.000 0.497 357 C N 1.149 120.221 119.300 -0.379 0.000 2.138 357 C HA 0.203 4.663 4.460 -0.000 0.000 0.398 357 C C 1.583 176.508 174.990 -0.108 0.000 1.029 357 C CA -0.635 58.257 59.018 -0.211 0.000 1.426 357 C CB -1.311 26.412 27.740 -0.029 0.000 1.652 357 C HN 0.431 nan 8.230 nan 0.000 0.486 358 Y N -0.242 120.094 120.300 0.060 0.000 2.465 358 Y HA -0.173 4.377 4.550 -0.000 0.000 0.289 358 Y C 1.596 177.519 175.900 0.039 0.000 1.150 358 Y CA 0.664 58.794 58.100 0.049 0.000 1.293 358 Y CB -0.110 38.376 38.460 0.044 0.000 0.977 358 Y HN 0.559 nan 8.280 nan 0.000 0.556 359 D N -0.006 120.486 120.400 0.153 0.000 2.339 359 D HA 0.136 4.776 4.640 -0.000 0.000 0.217 359 D C -0.112 176.220 176.300 0.053 0.000 1.050 359 D CA 0.355 54.408 54.000 0.089 0.000 0.856 359 D CB 0.087 40.919 40.800 0.055 0.000 0.922 359 D HN 0.239 nan 8.370 nan 0.000 0.518 360 I N 1.883 122.500 120.570 0.079 0.000 2.287 360 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 360 I C 0.178 176.352 176.117 0.095 0.000 1.069 360 I CA -0.585 60.763 61.300 0.080 0.000 1.237 360 I CB 0.804 38.906 38.000 0.171 0.000 1.418 360 I HN -0.219 nan 8.210 nan 0.000 0.481 361 I N 9.053 129.656 120.570 0.055 0.000 2.742 361 I HA -0.055 4.115 4.170 -0.000 0.000 0.287 361 I C -1.112 175.059 176.117 0.089 0.000 1.186 361 I CA -0.902 60.434 61.300 0.060 0.000 1.417 361 I CB 0.303 38.321 38.000 0.031 0.000 1.377 361 I HN 0.368 nan 8.210 nan 0.000 0.556 362 P HA -0.238 nan 4.420 nan 0.000 0.218 362 P C 1.042 178.391 177.300 0.081 0.000 1.154 362 P CA 1.411 64.558 63.100 0.079 0.000 0.872 362 P CB 0.223 31.959 31.700 0.059 0.000 0.790 363 E N -1.253 118.990 120.200 0.072 0.000 2.072 363 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 363 E C 2.036 178.702 176.600 0.110 0.000 0.985 363 E CA 1.852 58.296 56.400 0.072 0.000 0.801 363 E CB -1.642 28.089 29.700 0.053 0.000 0.750 363 E HN 0.400 nan 8.360 nan 0.000 0.452 364 T N -0.621 114.013 114.554 0.134 0.000 2.897 364 T HA -0.131 4.218 4.350 -0.000 0.000 0.271 364 T C 1.839 176.780 174.700 0.401 0.000 1.084 364 T CA 0.747 62.974 62.100 0.212 0.000 1.123 364 T CB -0.433 68.499 68.868 0.106 0.000 0.865 364 T HN 0.093 nan 8.240 nan 0.000 0.496 365 L N -0.212 121.194 121.223 0.304 0.000 2.263 365 L HA -0.029 4.311 4.340 -0.000 0.000 0.216 365 L C 2.490 179.426 176.870 0.110 0.000 1.111 365 L CA 0.575 55.531 54.840 0.194 0.000 0.773 365 L CB -0.680 41.428 42.059 0.081 0.000 0.906 365 L HN 0.284 nan 8.230 nan 0.000 0.439 366 L N -0.040 121.261 121.223 0.129 0.000 2.201 366 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 366 L C 2.268 179.214 176.870 0.127 0.000 1.105 366 L CA 1.629 56.526 54.840 0.093 0.000 0.775 366 L CB -0.426 41.681 42.059 0.080 0.000 0.913 366 L HN 0.227 nan 8.230 nan 0.000 0.440 367 E N -0.612 119.720 120.200 0.221 0.000 2.204 367 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 367 E C 1.972 178.754 176.600 0.303 0.000 0.990 367 E CA 0.868 57.451 56.400 0.306 0.000 0.821 367 E CB -0.229 29.791 29.700 0.533 0.000 0.750 367 E HN 0.509 nan 8.360 nan 0.000 0.477 368 L N 0.387 121.686 121.223 0.128 0.000 2.633 368 L HA -0.033 4.307 4.340 -0.000 0.000 0.235 368 L C 2.053 178.988 176.870 0.108 0.000 1.163 368 L CA 0.255 55.129 54.840 0.056 0.000 0.859 368 L CB -0.305 41.618 42.059 -0.227 0.000 0.973 368 L HN 0.180 nan 8.230 nan 0.000 0.451 369 G N -0.883 107.981 108.800 0.106 0.000 2.813 369 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.209 369 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.209 369 G C 1.387 176.284 174.900 -0.005 0.000 1.150 369 G CA -0.078 45.089 45.100 0.111 0.000 0.785 369 G HN 0.242 nan 8.290 nan 0.000 0.535 370 E N 0.713 120.880 120.200 -0.054 0.000 2.107 370 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 370 E C 1.195 177.672 176.600 -0.204 0.000 0.982 370 E CA 0.132 56.358 56.400 -0.290 0.000 0.809 370 E CB -0.081 29.073 29.700 -0.911 0.000 0.756 370 E HN 0.442 nan 8.360 nan 0.000 0.459 371 I N 3.686 124.256 120.570 -0.000 0.000 2.574 371 I HA -0.049 4.120 4.170 -0.000 0.000 0.291 371 I C -1.477 174.600 176.117 -0.067 0.000 1.131 371 I CA -0.965 60.360 61.300 0.042 0.000 1.352 371 I CB 0.167 38.247 38.000 0.134 0.000 1.431 371 I HN -0.132 nan 8.210 nan 0.000 0.543 372 P HA -0.149 nan 4.420 nan 0.000 0.217 372 P C 1.530 178.745 177.300 -0.143 0.000 1.150 372 P CA 1.267 64.269 63.100 -0.163 0.000 0.832 372 P CB 0.054 31.669 31.700 -0.142 0.000 0.787 373 T N -3.356 111.134 114.554 -0.106 0.000 3.055 373 T HA 0.020 4.370 4.350 -0.000 0.000 0.265 373 T C 0.780 175.422 174.700 -0.098 0.000 1.111 373 T CA -0.110 61.935 62.100 -0.091 0.000 1.118 373 T CB -0.918 67.901 68.868 -0.082 0.000 0.909 373 T HN -0.133 nan 8.240 nan 0.000 0.501 374 L N 1.928 123.102 121.223 -0.082 0.000 2.578 374 L HA 0.146 4.485 4.340 -0.000 0.000 0.279 374 L C 1.049 177.889 176.870 -0.050 0.000 1.227 374 L CA 0.556 55.341 54.840 -0.091 0.000 0.900 374 L CB 0.400 42.439 42.059 -0.033 0.000 1.144 374 L HN -0.021 nan 8.230 nan 0.000 0.496 375 K N 1.782 122.083 120.400 -0.166 0.000 2.436 375 K HA 0.246 4.565 4.320 -0.000 0.000 0.198 375 K C 0.071 176.631 176.600 -0.067 0.000 1.174 375 K CA 0.800 57.025 56.287 -0.102 0.000 0.951 375 K CB 0.560 32.955 32.500 -0.175 0.000 1.040 375 K HN 0.800 nan 8.250 nan 0.000 0.536 376 T N -0.959 113.544 114.554 -0.084 0.000 2.923 376 T HA 0.624 4.974 4.350 -0.000 0.000 0.311 376 T C -1.391 173.266 174.700 -0.072 0.000 1.183 376 T CA -0.890 61.198 62.100 -0.020 0.000 1.020 376 T CB 1.827 70.776 68.868 0.135 0.000 1.165 376 T HN -0.072 nan 8.240 nan 0.000 0.482 377 L N 1.585 122.740 121.223 -0.112 0.000 2.436 377 L HA 0.637 4.977 4.340 -0.000 0.000 0.268 377 L C -1.504 175.245 176.870 -0.202 0.000 0.974 377 L CA -0.423 54.321 54.840 -0.160 0.000 0.826 377 L CB 2.242 44.190 42.059 -0.184 0.000 1.291 377 L HN 0.734 nan 8.230 nan 0.000 0.406 378 Q N 5.280 124.963 119.800 -0.195 0.000 2.357 378 Q HA 0.558 4.897 4.340 -0.000 0.000 0.266 378 Q C -0.906 174.948 176.000 -0.244 0.000 1.021 378 Q CA -0.410 55.230 55.803 -0.272 0.000 0.784 378 Q CB 2.333 31.025 28.738 -0.077 0.000 1.243 378 Q HN 0.567 nan 8.270 nan 0.000 0.465 379 V N -0.116 119.568 119.914 -0.383 0.000 2.383 379 V HA 0.524 4.644 4.120 -0.000 0.000 0.261 379 V C -0.507 175.442 176.094 -0.242 0.000 0.987 379 V CA -0.748 61.423 62.300 -0.215 0.000 0.853 379 V CB -0.428 31.302 31.823 -0.154 0.000 1.095 379 V HN 0.402 nan 8.190 nan 0.000 0.461 380 F N 2.042 121.958 119.950 -0.057 0.000 2.379 380 F HA 0.760 5.287 4.527 -0.000 0.000 0.332 380 F C 1.571 177.385 175.800 0.023 0.000 1.096 380 F CA 0.742 58.721 58.000 -0.034 0.000 1.105 380 F CB 1.732 40.692 39.000 -0.067 0.000 1.189 380 F HN 0.690 nan 8.300 nan 0.000 0.515 381 G N 1.929 110.896 108.800 0.278 0.000 2.162 381 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 381 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 381 G C 0.468 175.535 174.900 0.280 0.000 0.976 381 G CA 0.675 45.932 45.100 0.261 0.000 0.655 381 G HN 0.910 nan 8.290 nan 0.000 0.533 382 I N -3.938 116.746 120.570 0.190 0.000 4.670 382 I HA 0.529 4.699 4.170 -0.000 0.000 0.339 382 I C -0.108 176.073 176.117 0.107 0.000 1.310 382 I CA -0.368 61.043 61.300 0.185 0.000 1.288 382 I CB 0.903 39.004 38.000 0.168 0.000 1.427 382 I HN -0.067 nan 8.210 nan 0.000 0.494 383 V N 3.779 123.735 119.914 0.071 0.000 2.357 383 V HA 0.497 4.617 4.120 -0.000 0.000 0.284 383 V C -2.277 173.840 176.094 0.037 0.000 1.018 383 V CA -1.400 60.922 62.300 0.036 0.000 0.841 383 V CB 0.933 32.748 31.823 -0.013 0.000 0.991 383 V HN 0.057 nan 8.190 nan 0.000 0.437 384 P HA 0.100 nan 4.420 nan 0.000 0.265 384 P C 0.710 178.024 177.300 0.024 0.000 1.193 384 P CA -0.060 63.060 63.100 0.033 0.000 0.765 384 P CB 0.578 32.295 31.700 0.028 0.000 0.823 385 D N 2.526 122.943 120.400 0.028 0.000 2.220 385 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 385 D C 1.949 178.256 176.300 0.012 0.000 1.001 385 D CA 1.945 55.958 54.000 0.023 0.000 0.875 385 D CB -0.213 40.603 40.800 0.028 0.000 0.921 385 D HN 0.575 nan 8.370 nan 0.000 0.454 386 G N 0.264 109.072 108.800 0.013 0.000 2.404 386 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.213 386 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.213 386 G C 1.692 176.595 174.900 0.005 0.000 1.189 386 G CA 1.503 46.608 45.100 0.009 0.000 0.796 386 G HN 0.374 nan 8.290 nan 0.000 0.532 387 T N -0.275 114.283 114.554 0.008 0.000 2.962 387 T HA -0.031 4.318 4.350 -0.000 0.000 0.270 387 T C 2.261 176.958 174.700 -0.005 0.000 1.088 387 T CA 1.188 63.291 62.100 0.006 0.000 1.127 387 T CB -0.124 68.752 68.868 0.015 0.000 0.883 387 T HN 0.075 nan 8.240 nan 0.000 0.493 388 L N 0.622 121.838 121.223 -0.011 0.000 2.056 388 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 388 L C 2.496 179.344 176.870 -0.036 0.000 1.078 388 L CA 1.723 56.544 54.840 -0.032 0.000 0.749 388 L CB -0.833 41.205 42.059 -0.036 0.000 0.901 388 L HN 0.114 nan 8.230 nan 0.000 0.433 389 Q N -0.932 118.855 119.800 -0.022 0.000 2.311 389 Q HA 0.026 4.366 4.340 -0.000 0.000 0.203 389 Q C 2.102 178.090 176.000 -0.021 0.000 0.954 389 Q CA 1.142 56.932 55.803 -0.022 0.000 0.885 389 Q CB -0.142 28.589 28.738 -0.011 0.000 0.963 389 Q HN 0.522 nan 8.270 nan 0.000 0.471 390 L N -0.877 120.337 121.223 -0.015 0.000 2.072 390 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 390 L C 1.906 178.764 176.870 -0.018 0.000 1.079 390 L CA 0.419 55.252 54.840 -0.011 0.000 0.752 390 L CB -0.404 41.654 42.059 -0.002 0.000 0.906 390 L HN 0.265 nan 8.230 nan 0.000 0.436 391 L N 0.374 121.582 121.223 -0.025 0.000 2.012 391 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 391 L C 2.499 179.332 176.870 -0.061 0.000 1.073 391 L CA 1.874 56.692 54.840 -0.037 0.000 0.748 391 L CB -0.508 41.525 42.059 -0.044 0.000 0.891 391 L HN 0.119 nan 8.230 nan 0.000 0.431 392 K N -0.898 119.462 120.400 -0.067 0.000 2.147 392 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 392 K C 1.884 178.444 176.600 -0.067 0.000 1.049 392 K CA 1.097 57.335 56.287 -0.083 0.000 0.936 392 K CB -0.121 32.337 32.500 -0.070 0.000 0.722 392 K HN 0.360 nan 8.250 nan 0.000 0.446 393 E N 0.965 121.140 120.200 -0.042 0.000 2.031 393 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 393 E C 2.166 178.751 176.600 -0.024 0.000 0.994 393 E CA 1.347 57.731 56.400 -0.027 0.000 0.800 393 E CB -0.384 29.308 29.700 -0.015 0.000 0.752 393 E HN 0.296 nan 8.360 nan 0.000 0.447 394 A N 1.371 124.178 122.820 -0.021 0.000 1.883 394 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 394 A C 1.711 179.290 177.584 -0.007 0.000 1.186 394 A CA 1.003 53.036 52.037 -0.006 0.000 0.624 394 A CB -0.437 18.564 19.000 0.001 0.000 0.822 394 A HN 0.178 nan 8.150 nan 0.000 0.444 395 L N 0.686 121.867 121.223 -0.070 0.000 2.589 395 L HA 0.220 4.560 4.340 -0.000 0.000 0.244 395 L C -1.649 175.036 176.870 -0.308 0.000 1.159 395 L CA -1.345 53.379 54.840 -0.194 0.000 1.074 395 L CB 0.855 42.750 42.059 -0.273 0.000 1.391 395 L HN 0.233 nan 8.230 nan 0.000 0.423 396 P HA -0.191 nan 4.420 nan 0.000 0.222 396 P C 1.015 178.246 177.300 -0.115 0.000 1.147 396 P CA 1.441 64.484 63.100 -0.094 0.000 0.790 396 P CB 0.015 31.708 31.700 -0.012 0.000 0.780 397 H N -1.930 117.122 119.070 -0.030 0.000 2.502 397 H HA 0.189 4.745 4.556 -0.000 0.000 0.283 397 H C 1.275 176.579 175.328 -0.040 0.000 1.015 397 H CA -0.080 55.948 56.048 -0.033 0.000 1.298 397 H CB -1.084 28.655 29.762 -0.038 0.000 1.411 397 H HN 0.068 nan 8.280 nan 0.000 0.556 398 L N 0.104 120.971 121.223 -0.593 0.000 2.488 398 L HA 0.302 4.642 4.340 -0.000 0.000 0.249 398 L C -0.180 176.585 176.870 -0.176 0.000 1.151 398 L CA -0.875 53.769 54.840 -0.327 0.000 0.806 398 L CB 0.800 42.625 42.059 -0.390 0.000 1.261 398 L HN 0.192 nan 8.230 nan 0.000 0.484 399 Q N 1.066 120.792 119.800 -0.124 0.000 2.414 399 Q HA 0.495 4.835 4.340 -0.000 0.000 0.256 399 Q C -1.299 174.633 176.000 -0.113 0.000 0.974 399 Q CA 0.075 55.829 55.803 -0.082 0.000 0.723 399 Q CB 1.150 29.872 28.738 -0.027 0.000 1.281 399 Q HN 0.350 nan 8.270 nan 0.000 0.470 400 I N 2.316 122.801 120.570 -0.141 0.000 2.488 400 I HA 0.325 4.495 4.170 -0.000 0.000 0.299 400 I C 0.223 176.185 176.117 -0.259 0.000 0.984 400 I CA -0.957 60.223 61.300 -0.199 0.000 1.250 400 I CB 1.239 39.124 38.000 -0.193 0.000 1.389 400 I HN 0.614 nan 8.210 nan 0.000 0.488 401 N N 3.073 121.495 118.700 -0.462 0.000 2.702 401 N HA -0.202 4.538 4.740 -0.000 0.000 0.261 401 N C 0.820 176.170 175.510 -0.266 0.000 0.965 401 N CA 1.010 53.553 53.050 -0.845 0.000 0.795 401 N CB -0.883 36.959 38.487 -1.075 0.000 0.909 401 N HN 0.912 nan 8.380 nan 0.000 0.546 402 C N -2.565 116.672 119.300 -0.106 0.000 2.735 402 C HA 0.373 4.833 4.460 -0.000 0.000 0.271 402 C C 1.086 176.144 174.990 0.113 0.000 1.281 402 C CA 0.185 59.221 59.018 0.031 0.000 1.719 402 C CB -0.622 27.124 27.740 0.009 0.000 2.024 402 C HN 0.540 nan 8.230 nan 0.000 0.566 403 S N -1.025 114.751 115.700 0.127 0.000 2.548 403 S HA 0.537 5.007 4.470 -0.000 0.000 0.276 403 S C -0.601 174.021 174.600 0.036 0.000 1.129 403 S CA -0.354 57.925 58.200 0.133 0.000 0.931 403 S CB 0.761 64.030 63.200 0.114 0.000 1.068 403 S HN 0.424 nan 8.310 nan 0.000 0.480 404 H N 0.894 119.891 119.070 -0.121 0.000 2.582 404 H HA 0.451 5.007 4.556 -0.000 0.000 0.269 404 H C -0.637 174.220 175.328 -0.785 0.000 0.962 404 H CA 0.504 56.185 56.048 -0.611 0.000 1.230 404 H CB 0.204 29.348 29.762 -1.029 0.000 1.445 404 H HN 0.558 nan 8.280 nan 0.000 0.528 405 F N -0.420 119.589 119.950 0.099 0.000 2.492 405 F HA 0.328 4.855 4.527 -0.000 0.000 0.327 405 F C 0.767 176.604 175.800 0.062 0.000 1.079 405 F CA -1.158 56.876 58.000 0.056 0.000 0.967 405 F CB 1.398 40.411 39.000 0.023 0.000 1.169 405 F HN -0.250 nan 8.300 nan 0.000 0.472 406 T N -0.091 114.596 114.554 0.223 0.000 2.913 406 T HA 0.255 4.605 4.350 -0.000 0.000 0.297 406 T C 0.947 175.736 174.700 0.147 0.000 1.029 406 T CA 0.176 62.376 62.100 0.167 0.000 1.104 406 T CB 0.590 69.554 68.868 0.160 0.000 0.964 406 T HN 0.862 nan 8.240 nan 0.000 0.532 407 T N 1.848 116.467 114.554 0.109 0.000 2.985 407 T HA 0.316 4.666 4.350 -0.000 0.000 0.254 407 T C 0.951 175.689 174.700 0.063 0.000 1.021 407 T CA -0.267 61.876 62.100 0.071 0.000 0.957 407 T CB -0.273 68.622 68.868 0.046 0.000 1.047 407 T HN 0.606 nan 8.240 nan 0.000 0.511 408 I N 2.837 123.449 120.570 0.069 0.000 2.872 408 I HA 0.192 4.362 4.170 -0.000 0.000 0.287 408 I C 1.154 177.347 176.117 0.127 0.000 1.197 408 I CA 0.630 61.969 61.300 0.064 0.000 1.390 408 I CB -0.376 37.678 38.000 0.089 0.000 1.400 408 I HN 0.519 nan 8.210 nan 0.000 0.544 409 A N 4.802 127.725 122.820 0.172 0.000 2.846 409 A HA -0.184 4.136 4.320 -0.000 0.000 0.287 409 A C 0.313 178.113 177.584 0.360 0.000 1.469 409 A CA 0.469 52.691 52.037 0.308 0.000 0.757 409 A CB -1.308 17.824 19.000 0.219 0.000 1.033 409 A HN 0.656 nan 8.150 nan 0.000 0.516 410 R N -1.169 119.472 120.500 0.236 0.000 2.229 410 R HA 0.402 4.742 4.340 -0.000 0.000 0.332 410 R C -1.802 174.263 176.300 -0.393 0.000 0.989 410 R CA -2.149 53.946 56.100 -0.009 0.000 0.842 410 R CB 0.593 30.874 30.300 -0.031 0.000 1.119 410 R HN 0.235 nan 8.270 nan 0.000 0.456 411 P HA -0.144 nan 4.420 nan 0.000 0.215 411 P C 0.248 176.982 177.300 -0.943 0.000 1.157 411 P CA 1.646 63.711 63.100 -1.725 0.000 0.874 411 P CB 0.325 31.353 31.700 -1.121 0.000 0.790 412 T N -3.422 110.823 114.554 -0.515 0.000 2.909 412 T HA 0.662 5.012 4.350 -0.000 0.000 0.299 412 T C -0.645 173.924 174.700 -0.218 0.000 1.073 412 T CA -0.823 61.083 62.100 -0.323 0.000 0.999 412 T CB 1.429 70.139 68.868 -0.262 0.000 1.098 412 T HN -0.198 nan 8.240 nan 0.000 0.477 413 I N 2.304 122.780 120.570 -0.157 0.000 2.466 413 I HA 0.670 4.839 4.170 -0.000 0.000 0.279 413 I C 0.691 176.746 176.117 -0.102 0.000 1.033 413 I CA -0.288 60.946 61.300 -0.110 0.000 1.123 413 I CB 0.815 38.778 38.000 -0.061 0.000 1.237 413 I HN 1.287 nan 8.210 nan 0.000 0.460 414 G N 5.138 113.863 108.800 -0.126 0.000 2.334 414 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.315 414 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.315 414 G C -1.921 172.906 174.900 -0.122 0.000 1.284 414 G CA -0.948 44.085 45.100 -0.112 0.000 0.985 414 G HN 0.437 nan 8.290 nan 0.000 0.504 415 N N 0.421 119.062 118.700 -0.099 0.000 2.240 415 N HA 0.554 5.294 4.740 -0.000 0.000 0.302 415 N C 0.569 176.035 175.510 -0.074 0.000 1.106 415 N CA -0.096 52.898 53.050 -0.093 0.000 0.778 415 N CB 2.191 40.624 38.487 -0.090 0.000 1.431 415 N HN 1.130 nan 8.380 nan 0.000 0.479 416 K N -0.209 120.149 120.400 -0.070 0.000 3.547 416 K HA -0.175 4.145 4.320 -0.000 0.000 0.309 416 K C -0.456 176.108 176.600 -0.060 0.000 1.324 416 K CA 1.411 57.663 56.287 -0.058 0.000 0.988 416 K CB -0.336 32.135 32.500 -0.049 0.000 1.261 416 K HN 0.433 nan 8.250 nan 0.000 0.444 417 K N 1.152 121.510 120.400 -0.070 0.000 2.726 417 K HA 0.123 4.443 4.320 -0.000 0.000 0.209 417 K C 0.190 176.737 176.600 -0.089 0.000 1.082 417 K CA 0.288 56.532 56.287 -0.071 0.000 1.081 417 K CB -0.231 32.228 32.500 -0.068 0.000 0.830 417 K HN 0.597 nan 8.250 nan 0.000 0.470 418 N N 0.269 118.915 118.700 -0.091 0.000 2.229 418 N HA -0.132 4.608 4.740 -0.000 0.000 0.242 418 N C 0.269 175.719 175.510 -0.100 0.000 1.327 418 N CA -0.482 52.505 53.050 -0.105 0.000 0.896 418 N CB 0.236 38.666 38.487 -0.094 0.000 1.129 418 N HN 0.106 nan 8.380 nan 0.000 0.490 419 Q N -0.861 118.874 119.800 -0.108 0.000 2.411 419 Q HA -0.285 4.055 4.340 -0.000 0.000 0.305 419 Q C -0.553 175.396 176.000 -0.085 0.000 1.273 419 Q CA 1.316 57.062 55.803 -0.093 0.000 0.895 419 Q CB -1.144 27.550 28.738 -0.073 0.000 1.198 419 Q HN 0.808 nan 8.270 nan 0.000 0.470 420 E N 0.341 120.477 120.200 -0.106 0.000 2.995 420 E HA 0.219 4.569 4.350 -0.000 0.000 0.203 420 E C 0.172 176.699 176.600 -0.121 0.000 0.980 420 E CA -0.369 55.978 56.400 -0.089 0.000 1.172 420 E CB 0.200 29.852 29.700 -0.080 0.000 1.088 420 E HN 0.559 nan 8.360 nan 0.000 0.463 421 I N 2.185 122.667 120.570 -0.146 0.000 3.247 421 I HA -0.236 3.934 4.170 -0.000 0.000 0.309 421 I C -0.228 175.868 176.117 -0.035 0.000 1.246 421 I CA 0.710 61.883 61.300 -0.210 0.000 1.384 421 I CB -0.084 37.859 38.000 -0.094 0.000 1.401 421 I HN 0.556 nan 8.210 nan 0.000 0.520 422 W N 6.842 128.128 121.300 -0.022 0.000 6.840 422 W HA -0.254 4.406 4.660 -0.000 0.000 0.413 422 W C 1.308 177.796 176.519 -0.051 0.000 1.605 422 W CA 0.922 58.256 57.345 -0.019 0.000 1.122 422 W CB -2.121 27.354 29.460 0.025 0.000 2.811 422 W HN 1.065 nan 8.180 nan 0.000 1.578 423 G N -1.301 107.538 108.800 0.065 0.000 2.284 423 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.247 423 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.247 423 G C 0.068 174.964 174.900 -0.007 0.000 1.012 423 G CA 0.196 45.313 45.100 0.028 0.000 0.618 423 G HN 0.228 nan 8.290 nan 0.000 0.521 424 I N 2.052 122.613 120.570 -0.014 0.000 2.452 424 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 424 I C 0.716 176.812 176.117 -0.036 0.000 1.079 424 I CA 0.075 61.352 61.300 -0.037 0.000 1.387 424 I CB 1.220 39.187 38.000 -0.055 0.000 1.404 424 I HN 0.072 nan 8.210 nan 0.000 0.522 425 K N 5.883 126.262 120.400 -0.035 0.000 2.183 425 K HA 0.278 4.598 4.320 -0.000 0.000 0.272 425 K C -0.627 175.951 176.600 -0.036 0.000 1.113 425 K CA -0.455 55.809 56.287 -0.039 0.000 0.949 425 K CB 0.114 32.592 32.500 -0.036 0.000 1.365 425 K HN 0.581 nan 8.250 nan 0.000 0.420 426 C N 2.561 121.841 119.300 -0.033 0.000 2.419 426 C HA -0.025 4.435 4.460 -0.000 0.000 0.398 426 C C 2.113 177.076 174.990 -0.045 0.000 1.498 426 C CA -0.209 58.794 59.018 -0.025 0.000 1.494 426 C CB -0.592 27.139 27.740 -0.015 0.000 2.485 426 C HN 0.829 nan 8.230 nan 0.000 0.608 427 R N 1.798 122.265 120.500 -0.055 0.000 2.193 427 R HA 0.102 4.442 4.340 -0.000 0.000 0.213 427 R C 0.053 176.281 176.300 -0.120 0.000 1.055 427 R CA 0.956 57.008 56.100 -0.082 0.000 0.995 427 R CB 0.061 30.311 30.300 -0.084 0.000 0.893 427 R HN 0.719 nan 8.270 nan 0.000 0.459 428 L N 1.570 122.712 121.223 -0.135 0.000 2.305 428 L HA 0.301 4.641 4.340 -0.000 0.000 0.284 428 L C 0.073 176.884 176.870 -0.099 0.000 1.013 428 L CA -0.487 54.243 54.840 -0.183 0.000 0.819 428 L CB 1.904 43.759 42.059 -0.339 0.000 1.227 428 L HN 0.080 nan 8.230 nan 0.000 0.417 429 T N -0.303 114.199 114.554 -0.086 0.000 2.696 429 T HA 0.570 4.920 4.350 -0.000 0.000 0.291 429 T C 0.052 174.728 174.700 -0.040 0.000 1.095 429 T CA -0.722 61.350 62.100 -0.048 0.000 1.026 429 T CB 1.615 70.454 68.868 -0.049 0.000 1.390 429 T HN 0.394 nan 8.240 nan 0.000 0.513 430 L N 0.063 121.271 121.223 -0.024 0.000 3.086 430 L HA 0.283 4.623 4.340 -0.000 0.000 0.274 430 L C 1.187 178.045 176.870 -0.020 0.000 1.184 430 L CA -0.448 54.382 54.840 -0.016 0.000 1.002 430 L CB 0.356 42.418 42.059 0.004 0.000 1.383 430 L HN 0.683 nan 8.230 nan 0.000 0.582 431 Q N 0.000 119.783 119.800 -0.028 0.000 2.315 431 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 431 Q CA 0.000 55.785 55.803 -0.030 0.000 1.022 431 Q CB 0.000 28.716 28.738 -0.037 0.000 1.108 431 Q HN 0.000 nan 8.270 nan 0.000 0.481