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_G 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 0.000 176.145 176.094 0.086 0.000 1.182 107 V CA 0.000 62.315 62.300 0.024 0.000 1.235 107 V CB 0.000 31.791 31.823 -0.054 0.000 1.184 108 S N 0.162 115.898 115.700 0.060 0.000 2.549 108 S HA 0.503 4.974 4.470 0.001 0.000 0.297 108 S C -0.511 174.178 174.600 0.149 0.000 1.115 108 S CA -0.397 57.898 58.200 0.158 0.000 1.059 108 S CB 1.523 64.788 63.200 0.108 0.000 1.046 108 S HN 0.767 nan 8.310 nan 0.000 0.506 109 W N 0.582 121.937 121.300 0.091 0.000 3.211 109 W HA 0.202 4.862 4.660 -0.000 0.000 0.292 109 W C 1.491 178.112 176.519 0.170 0.000 1.268 109 W CA -0.430 56.997 57.345 0.136 0.000 1.702 109 W CB -0.106 29.476 29.460 0.203 0.000 1.092 109 W HN 0.636 nan 8.180 nan 0.000 0.643 110 D N -0.077 120.528 120.400 0.342 0.000 2.392 110 D HA -0.105 4.536 4.640 0.001 0.000 0.228 110 D C 1.730 178.137 176.300 0.179 0.000 1.003 110 D CA 1.217 55.385 54.000 0.280 0.000 0.917 110 D CB -0.058 40.849 40.800 0.179 0.000 0.890 110 D HN 0.105 nan 8.370 nan 0.000 0.532 111 S N -0.772 115.004 115.700 0.127 0.000 2.597 111 S HA 0.126 4.596 4.470 0.001 0.000 0.224 111 S C 0.495 175.118 174.600 0.037 0.000 0.955 111 S CA -0.722 57.512 58.200 0.057 0.000 0.933 111 S CB 0.064 63.271 63.200 0.010 0.000 0.788 111 S HN 0.095 nan 8.310 nan 0.000 0.488 112 L N 2.821 124.094 121.223 0.084 0.000 2.326 112 L HA 0.547 4.888 4.340 0.001 0.000 0.278 112 L C -2.640 174.249 176.870 0.032 0.000 1.092 112 L CA -1.995 52.878 54.840 0.055 0.000 0.810 112 L CB 0.227 42.370 42.059 0.141 0.000 1.153 112 L HN -0.057 nan 8.230 nan 0.000 0.439 113 P HA 0.008 nan 4.420 nan 0.000 0.266 113 P C -0.207 177.070 177.300 -0.039 0.000 1.193 113 P CA 0.151 63.243 63.100 -0.014 0.000 0.770 113 P CB 0.534 32.221 31.700 -0.021 0.000 0.836 114 D N 1.330 121.709 120.400 -0.035 0.000 2.149 114 D HA -0.171 4.469 4.640 0.001 0.000 0.198 114 D C 1.419 177.659 176.300 -0.101 0.000 0.990 114 D CA 1.437 55.399 54.000 -0.063 0.000 0.839 114 D CB -0.033 40.750 40.800 -0.027 0.000 0.948 114 D HN 0.435 nan 8.370 nan 0.000 0.460 115 E N -0.426 119.732 120.200 -0.070 0.000 2.150 115 E HA -0.049 4.302 4.350 0.001 0.000 0.193 115 E C 2.076 178.619 176.600 -0.095 0.000 0.985 115 E CA 0.416 56.774 56.400 -0.070 0.000 0.814 115 E CB -0.090 29.585 29.700 -0.042 0.000 0.752 115 E HN 0.348 nan 8.360 nan 0.000 0.466 116 L N -0.333 120.832 121.223 -0.096 0.000 2.162 116 L HA -0.012 4.329 4.340 0.001 0.000 0.205 116 L C 2.201 178.959 176.870 -0.187 0.000 1.086 116 L CA 0.503 55.286 54.840 -0.095 0.000 0.778 116 L CB -0.299 41.736 42.059 -0.040 0.000 0.928 116 L HN 0.141 nan 8.230 nan 0.000 0.446 117 L N -0.188 120.851 121.223 -0.306 0.000 2.083 117 L HA -0.239 4.102 4.340 0.001 0.000 0.209 117 L C 2.541 178.898 176.870 -0.854 0.000 1.083 117 L CA 1.214 55.649 54.840 -0.675 0.000 0.752 117 L CB -0.350 41.172 42.059 -0.895 0.000 0.899 117 L HN 0.292 nan 8.230 nan 0.000 0.433 118 L N -0.789 120.119 121.223 -0.525 0.000 2.083 118 L HA -0.164 4.177 4.340 0.001 0.000 0.209 118 L C 2.654 179.420 176.870 -0.173 0.000 1.083 118 L CA 1.379 56.029 54.840 -0.317 0.000 0.752 118 L CB -1.225 40.740 42.059 -0.158 0.000 0.899 118 L HN 0.336 nan 8.230 nan 0.000 0.433 119 G N 0.657 109.366 108.800 -0.151 0.000 2.459 119 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 119 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 119 G C 1.554 176.421 174.900 -0.055 0.000 1.183 119 G CA 0.875 45.928 45.100 -0.078 0.000 0.776 119 G HN 0.295 nan 8.290 nan 0.000 0.552 120 I N -0.102 120.418 120.570 -0.084 0.000 2.208 120 I HA -0.167 4.003 4.170 0.001 0.000 0.245 120 I C 2.589 178.772 176.117 0.109 0.000 1.097 120 I CA 1.083 62.375 61.300 -0.014 0.000 1.363 120 I CB -0.381 37.588 38.000 -0.052 0.000 1.051 120 I HN 0.158 nan 8.210 nan 0.000 0.413 121 F N 0.986 120.818 119.950 -0.197 0.000 2.216 121 F HA -0.211 4.317 4.527 0.000 0.000 0.300 121 F C 2.906 178.614 175.800 -0.153 0.000 1.085 121 F CA 0.843 58.726 58.000 -0.194 0.000 1.326 121 F CB -0.346 38.530 39.000 -0.207 0.000 1.027 121 F HN 0.216 nan 8.300 nan 0.000 0.497 122 S N -0.959 114.778 115.700 0.062 0.000 2.447 122 S HA -0.182 4.289 4.470 0.001 0.000 0.233 122 S C 1.592 176.169 174.600 -0.038 0.000 1.006 122 S CA 0.966 59.154 58.200 -0.019 0.000 0.957 122 S CB -1.165 62.018 63.200 -0.028 0.000 0.773 122 S HN 0.402 nan 8.310 nan 0.000 0.507 123 C N 1.391 120.680 119.300 -0.018 0.000 2.576 123 C HA 0.440 4.900 4.460 0.001 0.000 0.267 123 C C 0.860 175.822 174.990 -0.046 0.000 1.364 123 C CA -0.621 58.380 59.018 -0.029 0.000 1.723 123 C CB -1.631 26.100 27.740 -0.014 0.000 1.778 123 C HN 0.544 nan 8.230 nan 0.000 0.572 124 L N 1.202 122.387 121.223 -0.064 0.000 2.307 124 L HA 0.361 4.702 4.340 0.001 0.000 0.282 124 L C 0.680 177.476 176.870 -0.123 0.000 1.051 124 L CA -0.494 54.289 54.840 -0.095 0.000 0.804 124 L CB 0.467 42.444 42.059 -0.137 0.000 1.197 124 L HN 0.337 nan 8.230 nan 0.000 0.431 125 C N 1.288 120.523 119.300 -0.107 0.000 2.580 125 C HA 0.219 4.680 4.460 0.001 0.000 0.371 125 C C 1.877 176.784 174.990 -0.139 0.000 1.308 125 C CA -0.919 58.029 59.018 -0.116 0.000 2.428 125 C CB 0.549 28.240 27.740 -0.081 0.000 2.529 125 C HN 0.906 nan 8.230 nan 0.000 0.657 126 L N 2.795 123.925 121.223 -0.156 0.000 1.997 126 L HA -0.117 4.224 4.340 0.001 0.000 0.227 126 L C -0.036 176.782 176.870 -0.085 0.000 1.087 126 L CA 3.113 57.857 54.840 -0.159 0.000 0.797 126 L CB -1.730 40.263 42.059 -0.110 0.000 0.902 126 L HN 0.740 nan 8.230 nan 0.000 0.441 127 P HA -0.190 nan 4.420 nan 0.000 0.216 127 P C 1.260 178.536 177.300 -0.040 0.000 1.150 127 P CA 1.616 64.701 63.100 -0.026 0.000 0.837 127 P CB 0.042 31.730 31.700 -0.020 0.000 0.786 128 E N -0.266 119.894 120.200 -0.067 0.000 2.072 128 E HA -0.111 4.240 4.350 0.001 0.000 0.191 128 E C 1.994 178.518 176.600 -0.127 0.000 0.985 128 E CA 0.524 56.875 56.400 -0.081 0.000 0.801 128 E CB -1.241 28.407 29.700 -0.088 0.000 0.750 128 E HN 0.090 nan 8.360 nan 0.000 0.452 129 L N 0.116 121.245 121.223 -0.158 0.000 2.046 129 L HA -0.093 4.247 4.340 0.001 0.000 0.208 129 L C 1.808 178.609 176.870 -0.116 0.000 1.077 129 L CA 1.564 56.274 54.840 -0.215 0.000 0.747 129 L CB -0.282 41.645 42.059 -0.219 0.000 0.896 129 L HN 0.171 nan 8.230 nan 0.000 0.432 130 L N -0.733 120.476 121.223 -0.023 0.000 2.376 130 L HA -0.140 4.200 4.340 0.001 0.000 0.219 130 L C 2.513 179.391 176.870 0.015 0.000 1.133 130 L CA 0.845 55.703 54.840 0.031 0.000 0.816 130 L CB -0.634 41.467 42.059 0.069 0.000 0.933 130 L HN 0.351 nan 8.230 nan 0.000 0.449 131 K N 0.962 121.355 120.400 -0.012 0.000 1.991 131 K HA -0.136 4.184 4.320 0.001 0.000 0.207 131 K C 2.119 178.735 176.600 0.027 0.000 1.045 131 K CA 1.808 58.099 56.287 0.006 0.000 0.937 131 K CB -0.102 32.395 32.500 -0.007 0.000 0.720 131 K HN 0.223 nan 8.250 nan 0.000 0.438 132 V N 0.574 120.483 119.914 -0.007 0.000 2.568 132 V HA -0.213 3.908 4.120 0.001 0.000 0.253 132 V C 2.164 178.365 176.094 0.179 0.000 1.072 132 V CA 2.316 64.675 62.300 0.099 0.000 1.084 132 V CB -1.212 30.512 31.823 -0.165 0.000 0.676 132 V HN 0.457 nan 8.190 nan 0.000 0.469 133 S N 1.030 116.769 115.700 0.064 0.000 2.500 133 S HA 0.055 4.526 4.470 0.001 0.000 0.239 133 S C 1.667 176.441 174.600 0.290 0.000 0.989 133 S CA 1.089 59.376 58.200 0.145 0.000 0.951 133 S CB -0.686 62.506 63.200 -0.013 0.000 0.759 133 S HN 0.964 nan 8.310 nan 0.000 0.523 134 G N 0.129 109.050 108.800 0.200 0.000 3.393 134 G HA2 0.409 4.369 3.960 0.001 0.000 0.255 134 G HA3 0.409 4.369 3.960 0.001 0.000 0.255 134 G C 0.829 175.780 174.900 0.085 0.000 1.097 134 G CA 0.108 45.307 45.100 0.165 0.000 0.780 134 G HN 0.390 nan 8.290 nan 0.000 0.540 135 V N 0.561 120.520 119.914 0.075 0.000 2.256 135 V HA 0.058 4.178 4.120 0.001 0.000 0.240 135 V C 1.557 177.567 176.094 -0.140 0.000 1.036 135 V CA 1.422 63.654 62.300 -0.114 0.000 1.008 135 V CB -0.475 31.120 31.823 -0.379 0.000 0.648 135 V HN 0.648 nan 8.190 nan 0.000 0.453 136 C N -2.014 117.235 119.300 -0.085 0.000 3.171 136 C HA 0.508 4.968 4.460 0.001 0.000 0.308 136 C C 1.259 176.324 174.990 0.124 0.000 1.334 136 C CA -1.180 57.812 59.018 -0.043 0.000 1.473 136 C CB 1.639 29.286 27.740 -0.155 0.000 1.866 136 C HN 0.383 nan 8.230 nan 0.000 0.465 137 K N 0.123 120.578 120.400 0.091 0.000 2.152 137 K HA -0.163 4.158 4.320 0.001 0.000 0.206 137 K C 2.336 179.083 176.600 0.245 0.000 1.048 137 K CA 1.709 58.070 56.287 0.124 0.000 0.933 137 K CB -0.136 32.391 32.500 0.045 0.000 0.721 137 K HN 0.698 nan 8.250 nan 0.000 0.447 138 R N 0.135 120.791 120.500 0.260 0.000 2.062 138 R HA -0.149 4.192 4.340 0.001 0.000 0.231 138 R C 1.817 178.414 176.300 0.495 0.000 1.136 138 R CA 1.509 57.808 56.100 0.331 0.000 0.948 138 R CB -0.184 30.315 30.300 0.332 0.000 0.845 138 R HN 0.207 nan 8.270 nan 0.000 0.430 139 W N 0.178 121.632 121.300 0.257 0.000 2.350 139 W HA -0.215 4.446 4.660 0.001 0.000 0.289 139 W C 2.122 178.852 176.519 0.351 0.000 1.215 139 W CA 1.032 58.612 57.345 0.392 0.000 1.236 139 W CB -1.053 28.633 29.460 0.376 0.000 1.130 139 W HN 0.264 nan 8.180 nan 0.000 0.541 140 Y N 1.108 121.634 120.300 0.376 0.000 2.181 140 Y HA -0.231 4.320 4.550 0.001 0.000 0.288 140 Y C 2.443 178.465 175.900 0.203 0.000 1.146 140 Y CA 2.130 60.370 58.100 0.233 0.000 1.164 140 Y CB -0.486 38.065 38.460 0.152 0.000 0.982 140 Y HN -0.150 nan 8.280 nan 0.000 0.515 141 R N -0.062 120.685 120.500 0.411 0.000 2.070 141 R HA -0.153 4.188 4.340 0.001 0.000 0.232 141 R C 2.320 178.726 176.300 0.177 0.000 1.138 141 R CA 1.985 58.246 56.100 0.268 0.000 0.936 141 R CB -0.788 29.653 30.300 0.234 0.000 0.839 141 R HN 0.362 nan 8.270 nan 0.000 0.429 142 L N 0.508 121.865 121.223 0.223 0.000 2.083 142 L HA -0.133 4.207 4.340 0.001 0.000 0.209 142 L C 2.613 179.672 176.870 0.315 0.000 1.083 142 L CA 1.080 56.038 54.840 0.197 0.000 0.752 142 L CB -0.647 41.454 42.059 0.070 0.000 0.899 142 L HN 0.282 nan 8.230 nan 0.000 0.433 143 A N -1.110 121.932 122.820 0.369 0.000 2.186 143 A HA -0.137 4.184 4.320 0.001 0.000 0.219 143 A C 2.164 179.935 177.584 0.311 0.000 1.159 143 A CA 1.793 53.981 52.037 0.251 0.000 0.680 143 A CB -0.292 18.726 19.000 0.030 0.000 0.787 143 A HN 0.394 nan 8.150 nan 0.000 0.467 144 S N -0.312 115.495 115.700 0.179 0.000 2.629 144 S HA 0.079 4.549 4.470 0.001 0.000 0.236 144 S C 0.194 174.870 174.600 0.126 0.000 1.010 144 S CA -0.601 57.636 58.200 0.062 0.000 0.981 144 S CB -0.059 62.997 63.200 -0.241 0.000 0.919 144 S HN 0.675 nan 8.310 nan 0.000 0.514 145 D N 2.416 122.949 120.400 0.222 0.000 2.506 145 D HA -0.052 4.589 4.640 0.001 0.000 0.234 145 D C 0.898 177.346 176.300 0.246 0.000 1.143 145 D CA 0.547 54.652 54.000 0.175 0.000 0.871 145 D CB 0.732 41.615 40.800 0.138 0.000 1.190 145 D HN 0.303 nan 8.370 nan 0.000 0.459 146 E N 1.218 121.511 120.200 0.154 0.000 2.160 146 E HA -0.197 4.153 4.350 0.001 0.000 0.195 146 E C 2.008 178.705 176.600 0.161 0.000 0.991 146 E CA 1.341 57.836 56.400 0.159 0.000 0.810 146 E CB -0.021 29.734 29.700 0.092 0.000 0.742 146 E HN 0.571 nan 8.360 nan 0.000 0.466 147 S N 1.190 116.958 115.700 0.114 0.000 2.400 147 S HA -0.130 4.341 4.470 0.001 0.000 0.232 147 S C 2.036 176.665 174.600 0.049 0.000 1.025 147 S CA 0.813 59.054 58.200 0.069 0.000 0.993 147 S CB -0.435 62.789 63.200 0.039 0.000 0.808 147 S HN 0.196 nan 8.310 nan 0.000 0.478 148 L N -1.757 119.508 121.223 0.071 0.000 2.313 148 L HA 0.159 4.500 4.340 0.001 0.000 0.214 148 L C 1.233 177.913 176.870 -0.317 0.000 1.119 148 L CA 0.532 55.309 54.840 -0.105 0.000 0.809 148 L CB -0.351 41.647 42.059 -0.100 0.000 0.933 148 L HN 0.394 nan 8.230 nan 0.000 0.449 149 W N -0.417 120.877 121.300 -0.010 0.000 2.862 149 W HA 0.222 4.883 4.660 0.002 0.000 0.426 149 W C 1.880 178.392 176.519 -0.011 0.000 0.950 149 W CA -0.516 56.817 57.345 -0.020 0.000 2.150 149 W CB -0.113 29.321 29.460 -0.043 0.000 1.161 149 W HN 0.045 nan 8.180 nan 0.000 0.696 150 Q N 0.225 120.098 119.800 0.121 0.000 2.084 150 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 150 Q C 0.906 176.965 176.000 0.099 0.000 0.978 150 Q CA 1.560 57.424 55.803 0.101 0.000 0.844 150 Q CB -0.159 28.615 28.738 0.060 0.000 0.898 150 Q HN 0.115 nan 8.270 nan 0.000 0.426 151 T N -0.967 113.623 114.554 0.060 0.000 2.815 151 T HA 0.566 4.917 4.350 0.001 0.000 0.289 151 T C -0.926 173.813 174.700 0.066 0.000 1.000 151 T CA -0.817 61.322 62.100 0.065 0.000 0.958 151 T CB 1.330 70.208 68.868 0.017 0.000 0.944 151 T HN -0.028 nan 8.240 nan 0.000 0.442 152 L N 2.587 123.907 121.223 0.162 0.000 2.341 152 L HA 0.683 5.024 4.340 0.001 0.000 0.278 152 L C -1.098 175.884 176.870 0.187 0.000 1.005 152 L CA -0.317 54.640 54.840 0.195 0.000 0.818 152 L CB 1.820 44.079 42.059 0.334 0.000 1.259 152 L HN 0.747 nan 8.230 nan 0.000 0.418 153 D N 5.727 126.178 120.400 0.085 0.000 2.464 153 D HA 0.300 4.941 4.640 0.001 0.000 0.243 153 D C -1.228 175.083 176.300 0.019 0.000 1.104 153 D CA -0.074 53.934 54.000 0.013 0.000 0.883 153 D CB 0.502 41.286 40.800 -0.025 0.000 1.050 153 D HN 0.544 nan 8.370 nan 0.000 0.524 154 L N 3.825 125.055 121.223 0.012 0.000 2.435 154 L HA 0.276 4.616 4.340 0.001 0.000 0.253 154 L C 0.411 177.253 176.870 -0.048 0.000 1.087 154 L CA -0.604 54.258 54.840 0.036 0.000 0.950 154 L CB 1.160 43.310 42.059 0.151 0.000 1.304 154 L HN 0.242 nan 8.230 nan 0.000 0.453 155 T N -2.512 112.012 114.554 -0.051 0.000 2.829 155 T HA 0.566 4.917 4.350 0.001 0.000 0.282 155 T C 1.134 175.825 174.700 -0.015 0.000 0.990 155 T CA 0.149 62.206 62.100 -0.072 0.000 1.028 155 T CB 1.902 70.714 68.868 -0.093 0.000 0.951 155 T HN 0.708 nan 8.240 nan 0.000 0.460 156 G N 1.511 110.307 108.800 -0.005 0.000 2.175 156 G HA2 -0.299 3.662 3.960 0.001 0.000 0.265 156 G HA3 -0.299 3.662 3.960 0.001 0.000 0.265 156 G C -0.010 174.999 174.900 0.182 0.000 0.979 156 G CA 0.601 45.757 45.100 0.094 0.000 0.663 156 G HN 1.006 nan 8.290 nan 0.000 0.533 157 K N 0.482 120.962 120.400 0.133 0.000 2.234 157 K HA 0.462 4.782 4.320 0.001 0.000 0.282 157 K C 0.458 177.198 176.600 0.234 0.000 1.039 157 K CA -0.547 55.828 56.287 0.148 0.000 0.928 157 K CB 0.345 32.907 32.500 0.104 0.000 1.039 157 K HN 0.243 nan 8.250 nan 0.000 0.470 158 N N 3.358 122.180 118.700 0.203 0.000 2.520 158 N HA 0.322 5.062 4.740 0.001 0.000 0.273 158 N C -1.549 174.060 175.510 0.165 0.000 1.155 158 N CA -0.199 52.978 53.050 0.212 0.000 0.967 158 N CB 0.385 38.895 38.487 0.039 0.000 1.092 158 N HN 0.409 nan 8.380 nan 0.000 0.457 159 L N 2.225 123.553 121.223 0.175 0.000 2.506 159 L HA 0.312 4.653 4.340 0.001 0.000 0.257 159 L C -1.241 175.719 176.870 0.151 0.000 0.964 159 L CA -0.737 54.196 54.840 0.156 0.000 0.836 159 L CB 1.740 43.890 42.059 0.152 0.000 1.384 159 L HN 0.722 nan 8.230 nan 0.000 0.410 160 H N 4.853 123.978 119.070 0.092 0.000 2.502 160 H HA 0.377 4.934 4.556 0.001 0.000 0.327 160 H C -1.998 173.390 175.328 0.100 0.000 1.099 160 H CA -1.846 54.260 56.048 0.096 0.000 1.323 160 H CB 2.127 31.942 29.762 0.088 0.000 1.450 160 H HN 0.430 nan 8.280 nan 0.000 0.502 161 P HA -0.176 nan 4.420 nan 0.000 0.218 161 P C 0.571 178.061 177.300 0.316 0.000 1.146 161 P CA 1.111 64.272 63.100 0.102 0.000 0.813 161 P CB 0.564 32.286 31.700 0.037 0.000 0.778 162 D N -0.454 120.363 120.400 0.695 0.000 2.183 162 D HA -0.070 4.570 4.640 0.001 0.000 0.203 162 D C 2.121 178.581 176.300 0.268 0.000 0.969 162 D CA 0.702 55.103 54.000 0.667 0.000 0.842 162 D CB -0.629 40.439 40.800 0.447 0.000 0.957 162 D HN 0.069 nan 8.370 nan 0.000 0.484 163 V N 1.359 121.386 119.914 0.187 0.000 2.358 163 V HA -0.207 3.913 4.120 0.001 0.000 0.246 163 V C 2.778 178.803 176.094 -0.115 0.000 1.047 163 V CA 2.115 64.438 62.300 0.037 0.000 1.035 163 V CB -0.989 30.882 31.823 0.081 0.000 0.658 163 V HN 0.360 nan 8.190 nan 0.000 0.452 164 T N -1.190 113.297 114.554 -0.112 0.000 2.788 164 T HA -0.089 4.262 4.350 0.001 0.000 0.268 164 T C 1.953 176.289 174.700 -0.608 0.000 1.044 164 T CA 1.612 63.547 62.100 -0.275 0.000 1.139 164 T CB -0.738 68.065 68.868 -0.108 0.000 0.867 164 T HN 0.455 nan 8.240 nan 0.000 0.454 165 G N 1.093 109.442 108.800 -0.752 0.000 2.394 165 G HA2 -0.136 3.824 3.960 0.001 0.000 0.214 165 G HA3 -0.136 3.824 3.960 0.001 0.000 0.214 165 G C 1.753 176.020 174.900 -1.056 0.000 1.176 165 G CA 0.477 44.739 45.100 -1.398 0.000 0.786 165 G HN 0.539 nan 8.290 nan 0.000 0.533 166 R N -0.058 120.047 120.500 -0.659 0.000 2.152 166 R HA 0.118 4.458 4.340 0.001 0.000 0.232 166 R C 2.276 178.361 176.300 -0.359 0.000 1.117 166 R CA 0.719 56.681 56.100 -0.231 0.000 0.981 166 R CB -0.216 30.066 30.300 -0.030 0.000 0.870 166 R HN 0.397 nan 8.270 nan 0.000 0.451 167 L N 0.093 121.035 121.223 -0.468 0.000 2.209 167 L HA -0.031 4.310 4.340 0.001 0.000 0.207 167 L C 2.120 178.646 176.870 -0.572 0.000 1.094 167 L CA 0.488 55.006 54.840 -0.537 0.000 0.790 167 L CB -0.086 41.726 42.059 -0.411 0.000 0.932 167 L HN 0.199 nan 8.230 nan 0.000 0.447 168 L N -0.429 120.337 121.223 -0.761 0.000 2.313 168 L HA -0.084 4.257 4.340 0.001 0.000 0.214 168 L C 2.612 179.200 176.870 -0.471 0.000 1.119 168 L CA 0.964 55.272 54.840 -0.886 0.000 0.809 168 L CB -0.356 40.665 42.059 -1.731 0.000 0.933 168 L HN 0.339 nan 8.230 nan 0.000 0.449 169 S N -1.142 114.409 115.700 -0.248 0.000 2.522 169 S HA -0.117 4.353 4.470 0.001 0.000 0.227 169 S C 1.410 175.988 174.600 -0.035 0.000 0.986 169 S CA 0.189 58.444 58.200 0.091 0.000 0.929 169 S CB -0.172 63.123 63.200 0.160 0.000 0.769 169 S HN 0.516 nan 8.310 nan 0.000 0.529 170 Q N 1.441 121.129 119.800 -0.187 0.000 2.239 170 Q HA 0.334 4.674 4.340 0.001 0.000 0.219 170 Q C 0.518 176.476 176.000 -0.070 0.000 0.901 170 Q CA -0.003 55.677 55.803 -0.205 0.000 0.949 170 Q CB -0.208 28.216 28.738 -0.523 0.000 1.038 170 Q HN 0.677 nan 8.270 nan 0.000 0.458 171 G N 0.931 109.720 108.800 -0.018 0.000 2.438 171 G HA2 -0.221 3.739 3.960 0.001 0.000 0.272 171 G HA3 -0.221 3.739 3.960 0.001 0.000 0.272 171 G C -0.397 174.541 174.900 0.064 0.000 0.991 171 G CA -0.312 44.810 45.100 0.037 0.000 1.348 171 G HN 0.232 nan 8.290 nan 0.000 0.483 172 V N 3.152 123.080 119.914 0.024 0.000 2.384 172 V HA 0.458 4.579 4.120 0.001 0.000 0.287 172 V C 1.458 177.596 176.094 0.073 0.000 1.020 172 V CA -0.471 61.864 62.300 0.058 0.000 0.850 172 V CB 1.576 33.375 31.823 -0.041 0.000 0.987 172 V HN 0.513 nan 8.190 nan 0.000 0.436 173 I N 3.170 123.814 120.570 0.124 0.000 2.628 173 I HA 0.249 4.420 4.170 0.001 0.000 0.255 173 I C 1.221 177.495 176.117 0.262 0.000 1.119 173 I CA 0.731 62.132 61.300 0.169 0.000 1.448 173 I CB 0.187 38.284 38.000 0.162 0.000 1.133 173 I HN 0.629 nan 8.210 nan 0.000 0.438 174 A N 1.010 123.967 122.820 0.228 0.000 2.293 174 A HA 0.476 4.797 4.320 0.001 0.000 0.312 174 A C -1.189 176.564 177.584 0.281 0.000 1.309 174 A CA -0.184 52.003 52.037 0.251 0.000 0.839 174 A CB 0.157 19.220 19.000 0.105 0.000 1.155 174 A HN 0.193 nan 8.150 nan 0.000 0.501 175 F N 3.498 123.512 119.950 0.106 0.000 2.325 175 F HA 0.491 5.019 4.527 0.001 0.000 0.369 175 F C 0.329 176.161 175.800 0.053 0.000 1.095 175 F CA -1.064 56.969 58.000 0.055 0.000 1.082 175 F CB 0.865 39.871 39.000 0.011 0.000 1.289 175 F HN 0.599 nan 8.300 nan 0.000 0.462 176 R N 5.282 125.686 120.500 -0.160 0.000 2.202 176 R HA 0.470 4.811 4.340 0.001 0.000 0.334 176 R C -0.877 175.120 176.300 -0.506 0.000 1.036 176 R CA 0.009 55.942 56.100 -0.278 0.000 0.878 176 R CB 0.484 30.701 30.300 -0.137 0.000 1.067 176 R HN 0.770 nan 8.270 nan 0.000 0.457 177 C N 7.888 126.852 119.300 -0.561 0.000 3.208 177 C HA 0.382 4.843 4.460 0.001 0.000 0.250 177 C C -2.649 172.154 174.990 -0.312 0.000 2.195 177 C CA -1.486 57.222 59.018 -0.517 0.000 1.303 177 C CB 0.389 27.562 27.740 -0.945 0.000 2.376 177 C HN 0.708 nan 8.230 nan 0.000 0.545 178 P HA 0.301 nan 4.420 nan 0.000 0.277 178 P C -0.288 176.904 177.300 -0.180 0.000 1.240 178 P CA 0.661 63.644 63.100 -0.194 0.000 0.798 178 P CB 0.460 32.051 31.700 -0.182 0.000 0.979 179 R N -1.244 119.135 120.500 -0.202 0.000 3.525 179 R HA -0.109 4.232 4.340 0.001 0.000 0.276 179 R C 0.502 176.606 176.300 -0.327 0.000 1.116 179 R CA 0.801 56.755 56.100 -0.243 0.000 0.745 179 R CB -2.489 27.733 30.300 -0.131 0.000 1.185 179 R HN 0.774 nan 8.270 nan 0.000 0.454 180 S N -0.791 114.692 115.700 -0.362 0.000 2.745 180 S HA 0.790 5.260 4.470 0.001 0.000 0.292 180 S C -0.240 174.013 174.600 -0.578 0.000 1.133 180 S CA -0.837 57.202 58.200 -0.269 0.000 0.998 180 S CB 1.351 64.484 63.200 -0.112 0.000 1.087 180 S HN 0.168 nan 8.310 nan 0.000 0.551 181 F N 0.140 120.094 119.950 0.007 0.000 2.539 181 F HA 0.551 5.079 4.527 0.001 0.000 0.328 181 F C -0.182 175.630 175.800 0.021 0.000 1.148 181 F CA -0.710 57.298 58.000 0.014 0.000 0.940 181 F CB 1.713 40.721 39.000 0.013 0.000 1.194 181 F HN 0.366 nan 8.300 nan 0.000 0.438 182 M N 4.724 124.400 119.600 0.127 0.000 2.060 182 M HA 0.278 4.758 4.480 0.001 0.000 0.275 182 M C -1.083 175.253 176.300 0.059 0.000 0.919 182 M CA -0.334 55.013 55.300 0.079 0.000 0.970 182 M CB 1.548 34.182 32.600 0.056 0.000 1.670 182 M HN 0.541 nan 8.290 nan 0.000 0.440 183 D N 1.628 122.059 120.400 0.051 0.000 2.895 183 D HA 0.220 4.860 4.640 0.001 0.000 0.350 183 D C -0.413 175.890 176.300 0.005 0.000 1.389 183 D CA -0.156 53.871 54.000 0.045 0.000 0.812 183 D CB 0.874 41.726 40.800 0.086 0.000 1.164 183 D HN 0.486 nan 8.370 nan 0.000 0.455 184 Q N 0.634 120.395 119.800 -0.065 0.000 2.544 184 Q HA 0.400 4.741 4.340 0.001 0.000 0.291 184 Q C -2.636 173.313 176.000 -0.086 0.000 1.068 184 Q CA -1.906 53.842 55.803 -0.091 0.000 0.785 184 Q CB 3.226 31.863 28.738 -0.168 0.000 1.481 184 Q HN 0.011 nan 8.270 nan 0.000 0.430 185 P HA -0.029 nan 4.420 nan 0.000 0.272 185 P C -0.409 176.934 177.300 0.071 0.000 1.248 185 P CA 0.307 63.433 63.100 0.044 0.000 0.799 185 P CB 0.551 32.295 31.700 0.073 0.000 0.997 186 L N -3.284 117.998 121.223 0.098 0.000 3.159 186 L HA -0.168 4.173 4.340 0.001 0.000 0.681 186 L C 0.289 177.265 176.870 0.177 0.000 1.292 186 L CA -0.123 54.793 54.840 0.126 0.000 1.187 186 L CB -2.091 40.076 42.059 0.180 0.000 1.853 186 L HN 0.551 nan 8.230 nan 0.000 0.893 187 A N 1.125 124.014 122.820 0.114 0.000 2.517 187 A HA 0.425 4.746 4.320 0.001 0.000 0.284 187 A C 1.330 179.007 177.584 0.156 0.000 1.195 187 A CA 1.098 53.215 52.037 0.133 0.000 0.873 187 A CB -0.165 18.914 19.000 0.132 0.000 1.055 187 A HN 0.889 nan 8.150 nan 0.000 0.538 188 E N 0.504 120.870 120.200 0.277 0.000 2.785 188 E HA 0.263 4.614 4.350 0.001 0.000 0.285 188 E C 0.778 177.547 176.600 0.282 0.000 1.006 188 E CA 1.968 58.665 56.400 0.496 0.000 0.996 188 E CB -0.516 29.519 29.700 0.558 0.000 1.025 188 E HN 2.322 nan 8.360 nan 0.000 0.467 189 H N -0.333 118.941 119.070 0.340 0.000 3.452 189 H HA 0.378 4.935 4.556 0.001 0.000 0.249 189 H C 0.580 175.924 175.328 0.027 0.000 1.086 189 H CA -0.040 56.031 56.048 0.038 0.000 1.130 189 H CB -0.902 28.828 29.762 -0.052 0.000 1.728 189 H HN 0.597 nan 8.280 nan 0.000 0.830 190 F N 2.091 121.994 119.950 -0.079 0.000 2.655 190 F HA 0.229 4.757 4.527 0.001 0.000 0.262 190 F C 1.474 177.114 175.800 -0.267 0.000 0.988 190 F CA 1.522 59.467 58.000 -0.092 0.000 1.192 190 F CB 0.020 39.055 39.000 0.058 0.000 0.971 190 F HN 0.333 nan 8.300 nan 0.000 0.654 191 S N 1.699 117.395 115.700 -0.006 0.000 2.569 191 S HA 0.125 4.596 4.470 0.001 0.000 0.274 191 S C -2.294 172.071 174.600 -0.391 0.000 1.353 191 S CA -0.944 57.174 58.200 -0.137 0.000 1.023 191 S CB -0.143 63.033 63.200 -0.040 0.000 0.876 191 S HN 0.249 nan 8.310 nan 0.000 0.540 192 P HA 0.030 nan 4.420 nan 0.000 0.263 192 P C -0.798 176.364 177.300 -0.230 0.000 1.175 192 P CA 0.594 63.514 63.100 -0.301 0.000 0.761 192 P CB -0.002 31.616 31.700 -0.138 0.000 0.794 193 F N 1.642 121.577 119.950 -0.024 0.000 2.399 193 F HA 0.375 4.903 4.527 0.001 0.000 0.328 193 F C 2.023 177.805 175.800 -0.030 0.000 1.084 193 F CA -0.840 57.133 58.000 -0.044 0.000 1.053 193 F CB 1.328 40.286 39.000 -0.070 0.000 1.209 193 F HN 0.178 nan 8.300 nan 0.000 0.502 194 R N 0.432 121.044 120.500 0.188 0.000 2.246 194 R HA 0.099 4.440 4.340 0.001 0.000 0.199 194 R C -0.187 176.162 176.300 0.083 0.000 0.984 194 R CA -0.044 56.115 56.100 0.099 0.000 1.015 194 R CB 0.024 30.371 30.300 0.078 0.000 0.930 194 R HN 0.343 nan 8.270 nan 0.000 0.475 195 V N 2.513 122.481 119.914 0.090 0.000 2.717 195 V HA -0.204 3.917 4.120 0.001 0.000 0.302 195 V C 1.132 177.253 176.094 0.046 0.000 1.097 195 V CA 1.092 63.437 62.300 0.075 0.000 1.262 195 V CB 0.289 32.147 31.823 0.059 0.000 0.846 195 V HN 0.394 nan 8.190 nan 0.000 0.485 196 Q N 2.192 122.007 119.800 0.024 0.000 2.511 196 Q HA 0.183 4.523 4.340 0.001 0.000 0.236 196 Q C -0.281 175.488 176.000 -0.384 0.000 0.893 196 Q CA 0.354 56.036 55.803 -0.203 0.000 0.947 196 Q CB 0.648 29.220 28.738 -0.276 0.000 1.110 196 Q HN 0.958 nan 8.270 nan 0.000 0.591 197 H N 0.008 119.126 119.070 0.080 0.000 2.708 197 H HA 0.493 5.049 4.556 0.001 0.000 0.320 197 H C -1.080 174.391 175.328 0.237 0.000 0.991 197 H CA -0.238 55.890 56.048 0.134 0.000 1.243 197 H CB 1.046 30.919 29.762 0.184 0.000 1.446 197 H HN 0.044 nan 8.280 nan 0.000 0.502 198 M N 2.601 122.413 119.600 0.353 0.000 2.327 198 M HA 0.336 4.816 4.480 0.001 0.000 0.298 198 M C -1.692 174.763 176.300 0.259 0.000 1.065 198 M CA -0.768 54.705 55.300 0.287 0.000 0.916 198 M CB 1.928 34.678 32.600 0.251 0.000 1.630 198 M HN 0.561 nan 8.290 nan 0.000 0.442 199 D N 5.017 125.454 120.400 0.061 0.000 2.454 199 D HA 0.373 5.014 4.640 0.001 0.000 0.247 199 D C -0.592 175.623 176.300 -0.141 0.000 1.129 199 D CA -0.277 53.698 54.000 -0.041 0.000 0.877 199 D CB 0.903 41.598 40.800 -0.175 0.000 1.082 199 D HN 0.751 nan 8.370 nan 0.000 0.537 200 L N 2.507 123.686 121.223 -0.073 0.000 2.965 200 L HA 0.211 4.551 4.340 0.001 0.000 0.254 200 L C 0.685 177.503 176.870 -0.085 0.000 1.220 200 L CA -0.466 54.316 54.840 -0.097 0.000 1.023 200 L CB -0.044 41.996 42.059 -0.031 0.000 1.355 200 L HN 0.322 nan 8.230 nan 0.000 0.545 201 S N -0.205 115.444 115.700 -0.086 0.000 2.558 201 S HA -0.020 4.450 4.470 0.001 0.000 0.288 201 S C 0.940 175.480 174.600 -0.101 0.000 1.318 201 S CA -0.366 57.790 58.200 -0.073 0.000 1.056 201 S CB 0.232 63.383 63.200 -0.082 0.000 0.853 201 S HN 0.537 nan 8.310 nan 0.000 0.505 202 N N 0.393 119.047 118.700 -0.076 0.000 2.710 202 N HA -0.157 4.584 4.740 0.001 0.000 0.249 202 N C -0.567 174.845 175.510 -0.162 0.000 1.059 202 N CA 1.172 54.166 53.050 -0.093 0.000 0.720 202 N CB -1.761 36.670 38.487 -0.093 0.000 0.983 202 N HN 0.633 nan 8.380 nan 0.000 0.544 203 S N -0.497 115.097 115.700 -0.176 0.000 2.745 203 S HA 0.640 5.110 4.470 0.001 0.000 0.292 203 S C 0.527 174.975 174.600 -0.252 0.000 1.133 203 S CA -0.692 57.330 58.200 -0.296 0.000 0.998 203 S CB 2.581 65.639 63.200 -0.236 0.000 1.087 203 S HN 0.034 nan 8.310 nan 0.000 0.551 204 V N 2.300 122.002 119.914 -0.353 0.000 2.326 204 V HA 0.487 4.608 4.120 0.001 0.000 0.281 204 V C -0.755 175.303 176.094 -0.060 0.000 1.015 204 V CA -0.221 61.992 62.300 -0.145 0.000 0.823 204 V CB 0.210 32.000 31.823 -0.055 0.000 1.009 204 V HN 0.640 nan 8.190 nan 0.000 0.436 205 I N 3.195 123.759 120.570 -0.009 0.000 2.468 205 I HA 0.364 4.534 4.170 0.001 0.000 0.285 205 I C 0.055 176.203 176.117 0.051 0.000 1.039 205 I CA -0.823 60.492 61.300 0.026 0.000 1.074 205 I CB 2.156 40.171 38.000 0.024 0.000 1.228 205 I HN 0.575 nan 8.210 nan 0.000 0.436 206 E N 4.853 125.088 120.200 0.057 0.000 2.708 206 E HA -0.067 4.284 4.350 0.001 0.000 0.260 206 E C 0.550 177.195 176.600 0.076 0.000 0.937 206 E CA 0.508 56.946 56.400 0.063 0.000 0.953 206 E CB 0.958 30.691 29.700 0.055 0.000 0.915 206 E HN 0.429 nan 8.360 nan 0.000 0.487 207 V N 3.826 123.788 119.914 0.080 0.000 2.469 207 V HA -0.294 3.826 4.120 0.001 0.000 0.251 207 V C 2.091 178.254 176.094 0.116 0.000 1.064 207 V CA 2.564 64.921 62.300 0.094 0.000 1.066 207 V CB -0.653 31.221 31.823 0.084 0.000 0.667 207 V HN 0.838 nan 8.190 nan 0.000 0.461 208 S N -1.718 114.045 115.700 0.105 0.000 2.428 208 S HA -0.159 4.312 4.470 0.001 0.000 0.230 208 S C 1.860 176.552 174.600 0.155 0.000 1.014 208 S CA 1.564 59.845 58.200 0.135 0.000 0.957 208 S CB -0.420 62.840 63.200 0.101 0.000 0.784 208 S HN 0.569 nan 8.310 nan 0.000 0.499 209 T N 2.491 117.115 114.554 0.115 0.000 2.857 209 T HA 0.145 4.495 4.350 0.001 0.000 0.266 209 T C 1.610 176.383 174.700 0.121 0.000 1.048 209 T CA 1.033 63.197 62.100 0.106 0.000 1.139 209 T CB -0.464 68.445 68.868 0.068 0.000 0.874 209 T HN 0.245 nan 8.240 nan 0.000 0.455 210 L N 0.883 122.180 121.223 0.124 0.000 2.017 210 L HA -0.065 4.276 4.340 0.001 0.000 0.208 210 L C 2.308 179.271 176.870 0.154 0.000 1.073 210 L CA 1.932 56.847 54.840 0.125 0.000 0.745 210 L CB -0.758 41.370 42.059 0.115 0.000 0.894 210 L HN 0.322 nan 8.230 nan 0.000 0.432 211 H N -0.890 118.227 119.070 0.077 0.000 2.293 211 H HA -0.067 4.490 4.556 0.001 0.000 0.300 211 H C 2.072 177.452 175.328 0.086 0.000 1.082 211 H CA 1.873 57.964 56.048 0.072 0.000 1.308 211 H CB -0.747 29.052 29.762 0.062 0.000 1.375 211 H HN 0.343 nan 8.280 nan 0.000 0.495 212 G N 0.753 109.558 108.800 0.009 0.000 2.476 212 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 212 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 212 G C 1.832 176.753 174.900 0.036 0.000 1.164 212 G CA 1.366 46.453 45.100 -0.023 0.000 0.768 212 G HN 0.501 nan 8.290 nan 0.000 0.560 213 I N 0.253 120.893 120.570 0.116 0.000 2.202 213 I HA -0.069 4.102 4.170 0.001 0.000 0.242 213 I C 2.566 178.787 176.117 0.174 0.000 1.091 213 I CA 0.690 62.117 61.300 0.211 0.000 1.368 213 I CB -0.273 37.829 38.000 0.170 0.000 1.058 213 I HN 0.099 nan 8.210 nan 0.000 0.410 214 L N 0.718 121.990 121.223 0.082 0.000 2.456 214 L HA -0.102 4.239 4.340 0.001 0.000 0.224 214 L C 2.339 179.200 176.870 -0.016 0.000 1.148 214 L CA 0.919 55.796 54.840 0.061 0.000 0.825 214 L CB -0.536 41.562 42.059 0.065 0.000 0.937 214 L HN 0.350 nan 8.230 nan 0.000 0.450 215 S N -1.700 113.923 115.700 -0.128 0.000 2.650 215 S HA 0.005 4.475 4.470 0.001 0.000 0.219 215 S C 1.309 175.827 174.600 -0.137 0.000 0.960 215 S CA 0.008 58.093 58.200 -0.190 0.000 0.925 215 S CB 0.131 63.084 63.200 -0.410 0.000 0.775 215 S HN 0.364 nan 8.310 nan 0.000 0.525 216 Q N 0.214 119.946 119.800 -0.113 0.000 2.139 216 Q HA 0.369 4.710 4.340 0.001 0.000 0.219 216 Q C -0.690 175.243 176.000 -0.111 0.000 0.805 216 Q CA -0.093 55.556 55.803 -0.256 0.000 1.024 216 Q CB 0.565 28.873 28.738 -0.717 0.000 1.163 216 Q HN 0.540 nan 8.270 nan 0.000 0.485 217 C N -0.333 118.973 119.300 0.009 0.000 2.379 217 C HA 0.694 5.155 4.460 0.001 0.000 0.323 217 C C 1.334 176.333 174.990 0.015 0.000 1.262 217 C CA -0.304 58.751 59.018 0.062 0.000 1.581 217 C CB 1.722 29.529 27.740 0.110 0.000 2.221 217 C HN 0.315 nan 8.230 nan 0.000 0.497 218 S N 0.303 116.009 115.700 0.009 0.000 2.658 218 S HA 0.063 4.534 4.470 0.001 0.000 0.277 218 S C 1.184 175.776 174.600 -0.015 0.000 1.078 218 S CA -0.127 58.068 58.200 -0.008 0.000 1.124 218 S CB 0.072 63.263 63.200 -0.016 0.000 1.016 218 S HN 0.761 nan 8.310 nan 0.000 0.543 219 K N 1.648 122.044 120.400 -0.007 0.000 2.522 219 K HA 0.265 4.586 4.320 0.001 0.000 0.194 219 K C -0.286 176.278 176.600 -0.060 0.000 1.026 219 K CA 0.073 56.345 56.287 -0.025 0.000 1.119 219 K CB -0.102 32.395 32.500 -0.005 0.000 0.856 219 K HN 0.299 nan 8.250 nan 0.000 0.513 220 L N 1.814 123.004 121.223 -0.056 0.000 2.455 220 L HA -0.056 4.285 4.340 0.001 0.000 0.272 220 L C 1.327 178.096 176.870 -0.169 0.000 1.174 220 L CA 0.352 55.130 54.840 -0.103 0.000 0.869 220 L CB 0.642 42.669 42.059 -0.054 0.000 1.130 220 L HN 0.262 nan 8.230 nan 0.000 0.474 221 Q N 1.782 121.405 119.800 -0.296 0.000 2.462 221 Q HA 0.194 4.535 4.340 0.001 0.000 0.224 221 Q C -0.258 175.512 176.000 -0.383 0.000 0.911 221 Q CA 0.349 55.958 55.803 -0.324 0.000 0.925 221 Q CB 0.729 29.221 28.738 -0.409 0.000 1.063 221 Q HN 0.608 nan 8.270 nan 0.000 0.572 222 N N 0.909 119.312 118.700 -0.495 0.000 2.461 222 N HA 0.410 5.151 4.740 0.001 0.000 0.284 222 N C -1.821 173.441 175.510 -0.412 0.000 1.049 222 N CA -0.271 52.330 53.050 -0.747 0.000 0.889 222 N CB 2.623 40.232 38.487 -1.464 0.000 1.365 222 N HN -0.003 nan 8.380 nan 0.000 0.499 223 L N 0.991 122.118 121.223 -0.160 0.000 2.408 223 L HA 0.613 4.954 4.340 0.001 0.000 0.268 223 L C -0.751 176.304 176.870 0.310 0.000 0.986 223 L CA -0.316 54.610 54.840 0.144 0.000 0.820 223 L CB 2.183 44.278 42.059 0.060 0.000 1.303 223 L HN 0.433 nan 8.230 nan 0.000 0.411 224 S N 5.052 120.955 115.700 0.339 0.000 2.707 224 S HA 0.564 5.035 4.470 0.001 0.000 0.312 224 S C -0.260 174.410 174.600 0.116 0.000 1.116 224 S CA -0.545 57.796 58.200 0.236 0.000 1.078 224 S CB 0.496 63.807 63.200 0.186 0.000 0.997 224 S HN 0.704 nan 8.310 nan 0.000 0.477 225 L N 3.612 124.894 121.223 0.099 0.000 3.066 225 L HA 0.387 4.728 4.340 0.001 0.000 0.265 225 L C 0.829 177.742 176.870 0.071 0.000 1.232 225 L CA -0.184 54.699 54.840 0.072 0.000 1.031 225 L CB 0.142 42.246 42.059 0.075 0.000 1.379 225 L HN 0.693 nan 8.230 nan 0.000 0.563 226 E N 1.492 121.732 120.200 0.067 0.000 2.694 226 E HA 0.044 4.395 4.350 0.001 0.000 0.250 226 E C 1.071 177.700 176.600 0.048 0.000 0.963 226 E CA 0.904 57.344 56.400 0.066 0.000 0.949 226 E CB 0.316 30.044 29.700 0.047 0.000 0.911 226 E HN 0.436 nan 8.360 nan 0.000 0.500 227 G N 4.170 113.015 108.800 0.075 0.000 2.182 227 G HA2 -0.242 3.719 3.960 0.001 0.000 0.248 227 G HA3 -0.242 3.719 3.960 0.001 0.000 0.248 227 G C -0.200 174.745 174.900 0.074 0.000 1.042 227 G CA 0.235 45.380 45.100 0.076 0.000 0.775 227 G HN 0.463 nan 8.290 nan 0.000 0.501 228 L N -0.282 120.994 121.223 0.087 0.000 2.356 228 L HA 0.590 4.930 4.340 0.001 0.000 0.277 228 L C 0.664 177.604 176.870 0.116 0.000 0.996 228 L CA -1.421 53.470 54.840 0.085 0.000 0.822 228 L CB 1.727 43.827 42.059 0.068 0.000 1.256 228 L HN 0.183 nan 8.230 nan 0.000 0.413 229 R N 3.154 123.725 120.500 0.119 0.000 2.537 229 R HA 0.491 4.832 4.340 0.001 0.000 0.280 229 R C -1.035 175.348 176.300 0.137 0.000 1.058 229 R CA 0.617 56.794 56.100 0.129 0.000 1.057 229 R CB 0.302 30.679 30.300 0.128 0.000 0.973 229 R HN 0.584 nan 8.270 nan 0.000 0.438 230 L N 1.682 123.013 121.223 0.179 0.000 2.563 230 L HA 0.681 5.022 4.340 0.001 0.000 0.255 230 L C -0.313 176.672 176.870 0.191 0.000 1.444 230 L CA -0.909 54.046 54.840 0.192 0.000 1.526 230 L CB 1.464 43.666 42.059 0.238 0.000 1.929 230 L HN 0.902 nan 8.230 nan 0.000 0.563 231 S N -2.681 113.136 115.700 0.194 0.000 2.611 231 S HA 0.211 4.681 4.470 0.001 0.000 0.270 231 S C -0.621 174.061 174.600 0.137 0.000 1.131 231 S CA -0.719 57.575 58.200 0.157 0.000 0.826 231 S CB 1.267 64.508 63.200 0.067 0.000 1.095 231 S HN 0.529 nan 8.310 nan 0.000 0.461 232 D N 1.529 122.007 120.400 0.130 0.000 2.116 232 D HA 0.024 4.665 4.640 0.001 0.000 0.193 232 D C -1.010 175.305 176.300 0.025 0.000 0.998 232 D CA 1.804 55.863 54.000 0.099 0.000 0.836 232 D CB -1.629 39.226 40.800 0.092 0.000 0.951 232 D HN 0.483 nan 8.370 nan 0.000 0.449 233 P HA -0.093 nan 4.420 nan 0.000 0.216 233 P C 1.631 178.917 177.300 -0.024 0.000 1.150 233 P CA 0.853 63.861 63.100 -0.153 0.000 0.837 233 P CB 0.089 31.525 31.700 -0.439 0.000 0.786 234 I N -1.263 119.324 120.570 0.028 0.000 2.133 234 I HA -0.203 3.967 4.170 0.001 0.000 0.238 234 I C 2.162 178.326 176.117 0.078 0.000 1.074 234 I CA 1.414 62.815 61.300 0.169 0.000 1.342 234 I CB -0.874 37.204 38.000 0.131 0.000 1.053 234 I HN -0.188 nan 8.210 nan 0.000 0.404 235 V N 1.422 121.331 119.914 -0.009 0.000 2.332 235 V HA -0.302 3.818 4.120 0.001 0.000 0.248 235 V C 2.180 178.244 176.094 -0.049 0.000 1.055 235 V CA 1.930 64.160 62.300 -0.116 0.000 1.038 235 V CB -0.939 30.724 31.823 -0.267 0.000 0.651 235 V HN 0.461 nan 8.190 nan 0.000 0.450 236 N N 0.279 118.980 118.700 0.003 0.000 2.120 236 N HA -0.138 4.602 4.740 0.001 0.000 0.188 236 N C 1.886 177.418 175.510 0.036 0.000 1.024 236 N CA 2.036 55.097 53.050 0.019 0.000 0.852 236 N CB -0.485 38.022 38.487 0.033 0.000 1.003 236 N HN 0.521 nan 8.380 nan 0.000 0.424 237 T N 2.003 116.606 114.554 0.082 0.000 2.881 237 T HA 0.001 4.351 4.350 0.001 0.000 0.270 237 T C 2.115 176.832 174.700 0.029 0.000 1.068 237 T CA 0.408 62.551 62.100 0.072 0.000 1.131 237 T CB -0.122 68.808 68.868 0.102 0.000 0.871 237 T HN 0.172 nan 8.240 nan 0.000 0.479 238 L N 0.762 121.995 121.223 0.017 0.000 2.131 238 L HA -0.089 4.252 4.340 0.001 0.000 0.210 238 L C 3.046 179.907 176.870 -0.014 0.000 1.092 238 L CA 0.958 55.795 54.840 -0.005 0.000 0.759 238 L CB -0.711 41.330 42.059 -0.030 0.000 0.903 238 L HN 0.285 nan 8.230 nan 0.000 0.435 239 A N 0.413 123.224 122.820 -0.015 0.000 1.997 239 A HA -0.280 4.041 4.320 0.001 0.000 0.221 239 A C 2.220 179.797 177.584 -0.011 0.000 1.172 239 A CA 1.927 53.955 52.037 -0.015 0.000 0.645 239 A CB -0.403 18.591 19.000 -0.010 0.000 0.813 239 A HN 0.394 nan 8.150 nan 0.000 0.454 240 K N -0.137 120.258 120.400 -0.007 0.000 2.160 240 K HA -0.159 4.162 4.320 0.001 0.000 0.206 240 K C 0.050 176.640 176.600 -0.016 0.000 1.047 240 K CA 1.422 57.703 56.287 -0.010 0.000 0.930 240 K CB -0.337 32.157 32.500 -0.010 0.000 0.720 240 K HN 0.528 nan 8.250 nan 0.000 0.450 241 N N 1.015 119.704 118.700 -0.018 0.000 3.111 241 N HA -0.019 4.721 4.740 0.001 0.000 0.302 241 N C 0.463 175.953 175.510 -0.034 0.000 1.317 241 N CA -0.015 53.018 53.050 -0.028 0.000 1.151 241 N CB 0.364 38.832 38.487 -0.031 0.000 1.456 241 N HN 0.120 nan 8.380 nan 0.000 0.547 242 S N -0.563 115.121 115.700 -0.027 0.000 2.488 242 S HA -0.152 4.319 4.470 0.001 0.000 0.246 242 S C 1.246 175.825 174.600 -0.035 0.000 0.992 242 S CA 0.694 58.878 58.200 -0.026 0.000 0.963 242 S CB -0.090 63.100 63.200 -0.018 0.000 0.754 242 S HN 0.358 nan 8.310 nan 0.000 0.519 243 N N 1.214 119.887 118.700 -0.045 0.000 2.370 243 N HA 0.263 5.004 4.740 0.001 0.000 0.198 243 N C -0.233 175.228 175.510 -0.081 0.000 1.156 243 N CA 0.021 53.037 53.050 -0.057 0.000 0.839 243 N CB -0.214 38.238 38.487 -0.059 0.000 0.989 243 N HN 0.488 nan 8.380 nan 0.000 0.468 244 L N 0.933 122.109 121.223 -0.078 0.000 2.584 244 L HA -0.017 4.323 4.340 0.001 0.000 0.272 244 L C 1.430 178.239 176.870 -0.102 0.000 1.195 244 L CA -0.114 54.665 54.840 -0.101 0.000 0.920 244 L CB 0.835 42.848 42.059 -0.076 0.000 1.173 244 L HN -0.083 nan 8.230 nan 0.000 0.489 245 V N 3.750 123.576 119.914 -0.147 0.000 2.795 245 V HA 0.109 4.230 4.120 0.001 0.000 0.243 245 V C 0.780 176.785 176.094 -0.149 0.000 1.069 245 V CA 0.844 63.062 62.300 -0.137 0.000 1.089 245 V CB 0.034 31.764 31.823 -0.156 0.000 0.756 245 V HN 0.695 nan 8.190 nan 0.000 0.471 246 R N 0.321 120.686 120.500 -0.225 0.000 2.532 246 R HA 0.611 4.952 4.340 0.001 0.000 0.297 246 R C -1.796 174.422 176.300 -0.136 0.000 0.984 246 R CA -0.541 55.441 56.100 -0.196 0.000 0.884 246 R CB 2.430 32.516 30.300 -0.357 0.000 1.182 246 R HN 0.116 nan 8.270 nan 0.000 0.442 247 L N 2.810 124.027 121.223 -0.010 0.000 2.406 247 L HA 0.471 4.812 4.340 0.001 0.000 0.272 247 L C -1.417 175.520 176.870 0.111 0.000 0.980 247 L CA -0.451 54.414 54.840 0.041 0.000 0.831 247 L CB 1.861 43.929 42.059 0.015 0.000 1.253 247 L HN 0.482 nan 8.230 nan 0.000 0.406 248 N N 5.505 124.301 118.700 0.159 0.000 2.518 248 N HA 0.384 5.125 4.740 0.001 0.000 0.254 248 N C -0.691 174.904 175.510 0.142 0.000 0.979 248 N CA -0.275 52.876 53.050 0.168 0.000 0.930 248 N CB 0.993 39.603 38.487 0.204 0.000 1.152 248 N HN 0.794 nan 8.380 nan 0.000 0.505 249 L N 1.235 122.547 121.223 0.148 0.000 3.066 249 L HA 0.256 4.596 4.340 0.001 0.000 0.265 249 L C 0.814 177.797 176.870 0.189 0.000 1.232 249 L CA -0.265 54.670 54.840 0.158 0.000 1.031 249 L CB 0.203 42.358 42.059 0.161 0.000 1.379 249 L HN 0.363 nan 8.230 nan 0.000 0.563 250 S N 0.395 116.198 115.700 0.172 0.000 2.544 250 S HA 0.271 4.742 4.470 0.001 0.000 0.290 250 S C 1.415 176.108 174.600 0.156 0.000 1.276 250 S CA 1.076 59.385 58.200 0.180 0.000 1.075 250 S CB 0.460 63.765 63.200 0.175 0.000 0.849 250 S HN 0.741 nan 8.310 nan 0.000 0.494 251 G N 3.372 112.269 108.800 0.163 0.000 2.205 251 G HA2 -0.276 3.684 3.960 0.001 0.000 0.261 251 G HA3 -0.276 3.684 3.960 0.001 0.000 0.261 251 G C 0.573 175.513 174.900 0.067 0.000 0.980 251 G CA 0.138 45.331 45.100 0.156 0.000 0.632 251 G HN 0.903 nan 8.290 nan 0.000 0.533 252 C N 1.267 120.605 119.300 0.063 0.000 2.705 252 C HA 0.717 5.178 4.460 0.001 0.000 0.382 252 C C 1.276 176.152 174.990 -0.189 0.000 1.322 252 C CA 0.710 59.773 59.018 0.074 0.000 2.290 252 C CB 0.921 28.824 27.740 0.272 0.000 2.650 252 C HN 1.363 nan 8.230 nan 0.000 0.695 253 S N -0.906 114.697 115.700 -0.162 0.000 2.757 253 S HA 0.730 5.201 4.470 0.001 0.000 0.285 253 S C 0.142 174.657 174.600 -0.141 0.000 1.196 253 S CA 0.317 58.229 58.200 -0.480 0.000 0.856 253 S CB 0.845 63.549 63.200 -0.825 0.000 1.212 253 S HN 2.385 nan 8.310 nan 0.000 0.516 254 G N 0.081 108.772 108.800 -0.182 0.000 2.159 254 G HA2 -0.121 3.839 3.960 0.001 0.000 0.256 254 G HA3 -0.121 3.839 3.960 0.001 0.000 0.256 254 G C -0.226 174.768 174.900 0.158 0.000 0.977 254 G CA 0.549 45.667 45.100 0.030 0.000 0.652 254 G HN 1.784 nan 8.290 nan 0.000 0.531 255 F N 0.560 120.575 119.950 0.108 0.000 2.565 255 F HA 0.844 5.372 4.527 0.001 0.000 0.313 255 F C 0.395 176.335 175.800 0.234 0.000 1.091 255 F CA -1.040 57.043 58.000 0.139 0.000 0.915 255 F CB 0.901 39.970 39.000 0.115 0.000 1.208 255 F HN 0.373 nan 8.300 nan 0.000 0.453 256 S N 0.846 116.755 115.700 0.347 0.000 2.617 256 S HA 0.108 4.579 4.470 0.001 0.000 0.255 256 S C 0.884 175.421 174.600 -0.105 0.000 1.318 256 S CA 0.109 58.415 58.200 0.176 0.000 0.978 256 S CB 0.561 63.929 63.200 0.281 0.000 0.961 256 S HN 0.860 nan 8.310 nan 0.000 0.582 257 E N 0.197 119.924 120.200 -0.788 0.000 2.481 257 E HA -0.015 4.336 4.350 0.001 0.000 0.195 257 E C 1.045 177.242 176.600 -0.670 0.000 1.047 257 E CA 0.462 56.273 56.400 -0.983 0.000 0.867 257 E CB -0.531 28.407 29.700 -1.270 0.000 0.858 257 E HN 0.717 nan 8.360 nan 0.000 0.513 258 F N 1.925 121.762 119.950 -0.189 0.000 2.179 258 F HA 0.212 4.739 4.527 0.001 0.000 0.292 258 F C 2.784 178.527 175.800 -0.096 0.000 1.089 258 F CA 0.762 58.679 58.000 -0.138 0.000 1.295 258 F CB -0.562 38.382 39.000 -0.094 0.000 1.041 258 F HN 0.081 nan 8.300 nan 0.000 0.487 259 A N 0.357 123.273 122.820 0.160 0.000 1.933 259 A HA -0.179 4.142 4.320 0.001 0.000 0.218 259 A C 2.083 179.662 177.584 -0.007 0.000 1.175 259 A CA 1.595 53.682 52.037 0.085 0.000 0.628 259 A CB -1.052 18.024 19.000 0.128 0.000 0.814 259 A HN 0.374 nan 8.150 nan 0.000 0.444 260 L N -0.117 121.114 121.223 0.013 0.000 2.083 260 L HA -0.195 4.145 4.340 0.001 0.000 0.209 260 L C 2.417 179.211 176.870 -0.127 0.000 1.083 260 L CA 2.657 57.467 54.840 -0.050 0.000 0.752 260 L CB -0.810 41.295 42.059 0.077 0.000 0.899 260 L HN 0.613 nan 8.230 nan 0.000 0.433 261 Q N -1.193 118.488 119.800 -0.198 0.000 2.050 261 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 261 Q C 2.194 178.078 176.000 -0.192 0.000 0.980 261 Q CA 2.523 58.124 55.803 -0.336 0.000 0.840 261 Q CB -0.230 28.241 28.738 -0.444 0.000 0.898 261 Q HN 0.688 nan 8.270 nan 0.000 0.424 262 T N -0.186 114.312 114.554 -0.094 0.000 2.777 262 T HA -0.174 4.176 4.350 0.001 0.000 0.266 262 T C 1.837 176.516 174.700 -0.036 0.000 1.040 262 T CA 1.210 63.285 62.100 -0.041 0.000 1.141 262 T CB -0.350 68.510 68.868 -0.013 0.000 0.868 262 T HN 0.309 nan 8.240 nan 0.000 0.444 263 L N 0.961 122.152 121.223 -0.054 0.000 1.989 263 L HA 0.074 4.414 4.340 0.001 0.000 0.211 263 L C 2.487 179.337 176.870 -0.033 0.000 1.071 263 L CA 1.813 56.621 54.840 -0.054 0.000 0.749 263 L CB -0.863 41.138 42.059 -0.097 0.000 0.890 263 L HN 0.377 nan 8.230 nan 0.000 0.431 264 L N -1.127 120.077 121.223 -0.032 0.000 2.046 264 L HA -0.197 4.143 4.340 0.001 0.000 0.208 264 L C 2.493 179.387 176.870 0.040 0.000 1.077 264 L CA 1.458 56.303 54.840 0.009 0.000 0.747 264 L CB -0.800 41.275 42.059 0.026 0.000 0.896 264 L HN 0.268 nan 8.230 nan 0.000 0.432 265 S N -0.827 114.904 115.700 0.052 0.000 2.382 265 S HA -0.201 4.269 4.470 0.001 0.000 0.228 265 S C 2.168 176.792 174.600 0.039 0.000 1.027 265 S CA 1.694 59.945 58.200 0.084 0.000 0.991 265 S CB -0.195 63.066 63.200 0.102 0.000 0.823 265 S HN 0.405 nan 8.310 nan 0.000 0.469 266 S N -0.229 115.481 115.700 0.016 0.000 2.461 266 S HA -0.020 4.451 4.470 0.001 0.000 0.228 266 S C 0.795 175.393 174.600 -0.002 0.000 1.005 266 S CA 0.285 58.487 58.200 0.005 0.000 0.942 266 S CB -0.269 62.928 63.200 -0.004 0.000 0.776 266 S HN 0.564 nan 8.310 nan 0.000 0.514 267 C N 3.382 122.680 119.300 -0.003 0.000 2.478 267 C HA 0.413 4.874 4.460 0.001 0.000 0.471 267 C C 1.786 176.773 174.990 -0.004 0.000 1.146 267 C CA -0.481 58.531 59.018 -0.010 0.000 1.532 267 C CB -1.363 26.366 27.740 -0.017 0.000 1.622 267 C HN 0.687 nan 8.230 nan 0.000 0.568 268 S N 0.935 116.633 115.700 -0.003 0.000 2.603 268 S HA -0.130 4.341 4.470 0.001 0.000 0.229 268 S C 1.343 175.939 174.600 -0.007 0.000 0.972 268 S CA 0.338 58.537 58.200 -0.001 0.000 0.935 268 S CB -0.313 62.888 63.200 0.000 0.000 0.769 268 S HN 0.901 nan 8.310 nan 0.000 0.536 269 R N -0.332 120.158 120.500 -0.016 0.000 2.596 269 R HA 0.461 4.801 4.340 0.001 0.000 0.369 269 R C -0.223 176.061 176.300 -0.027 0.000 1.042 269 R CA -0.725 55.362 56.100 -0.021 0.000 1.120 269 R CB -0.368 29.915 30.300 -0.028 0.000 1.353 269 R HN 0.250 nan 8.270 nan 0.000 0.564 270 L N 2.090 123.301 121.223 -0.021 0.000 2.540 270 L HA 0.027 4.368 4.340 0.001 0.000 0.276 270 L C 0.570 177.431 176.870 -0.015 0.000 1.212 270 L CA 0.968 55.794 54.840 -0.023 0.000 0.893 270 L CB 1.114 43.169 42.059 -0.008 0.000 1.138 270 L HN 0.222 nan 8.230 nan 0.000 0.491 271 D N 1.723 122.107 120.400 -0.026 0.000 2.615 271 D HA 0.100 4.740 4.640 0.001 0.000 0.259 271 D C -0.302 175.997 176.300 -0.001 0.000 0.999 271 D CA 0.612 54.603 54.000 -0.016 0.000 0.938 271 D CB 0.490 41.270 40.800 -0.033 0.000 1.121 271 D HN 0.673 nan 8.370 nan 0.000 0.487 272 E N 0.125 120.319 120.200 -0.010 0.000 2.176 272 E HA 0.447 4.797 4.350 0.001 0.000 0.267 272 E C -1.319 175.304 176.600 0.038 0.000 0.893 272 E CA -0.822 55.586 56.400 0.013 0.000 0.761 272 E CB 2.647 32.352 29.700 0.009 0.000 1.133 272 E HN 0.025 nan 8.360 nan 0.000 0.409 273 L N 3.573 124.835 121.223 0.066 0.000 2.441 273 L HA 0.342 4.683 4.340 0.001 0.000 0.270 273 L C -1.420 175.521 176.870 0.118 0.000 0.973 273 L CA -0.242 54.650 54.840 0.087 0.000 0.842 273 L CB 1.520 43.628 42.059 0.082 0.000 1.239 273 L HN 0.472 nan 8.230 nan 0.000 0.406 274 N N 4.592 123.373 118.700 0.136 0.000 2.621 274 N HA 0.336 5.076 4.740 0.001 0.000 0.237 274 N C -0.794 174.829 175.510 0.189 0.000 0.997 274 N CA -0.469 52.677 53.050 0.160 0.000 0.918 274 N CB 0.771 39.351 38.487 0.156 0.000 1.122 274 N HN 0.661 nan 8.380 nan 0.000 0.510 275 L N 3.788 125.146 121.223 0.224 0.000 3.096 275 L HA 0.344 4.684 4.340 0.001 0.000 0.247 275 L C -0.291 176.803 176.870 0.374 0.000 1.321 275 L CA -0.293 54.728 54.840 0.302 0.000 1.044 275 L CB -0.214 42.030 42.059 0.308 0.000 1.434 275 L HN 0.420 nan 8.230 nan 0.000 0.533 276 S N -2.272 113.583 115.700 0.259 0.000 2.654 276 S HA 0.486 4.956 4.470 0.001 0.000 0.283 276 S C -0.216 174.434 174.600 0.083 0.000 1.180 276 S CA -0.392 57.876 58.200 0.113 0.000 1.021 276 S CB 0.334 63.608 63.200 0.123 0.000 1.018 276 S HN 0.407 nan 8.310 nan 0.000 0.532 277 W N -0.756 120.335 121.300 -0.349 0.000 5.538 277 W HA -0.208 4.453 4.660 0.001 0.000 0.377 277 W C -0.215 176.170 176.519 -0.222 0.000 1.406 277 W CA -0.453 56.708 57.345 -0.306 0.000 0.940 277 W CB -2.414 26.965 29.460 -0.135 0.000 2.536 277 W HN 0.659 nan 8.180 nan 0.000 1.504 278 C N 2.449 121.607 119.300 -0.237 0.000 2.365 278 C HA 0.109 4.570 4.460 0.001 0.000 0.412 278 C C 2.229 176.779 174.990 -0.732 0.000 1.023 278 C CA -0.213 58.407 59.018 -0.663 0.000 1.287 278 C CB -2.334 24.629 27.740 -1.295 0.000 1.675 278 C HN 0.430 nan 8.230 nan 0.000 0.520 279 F N 0.624 120.449 119.950 -0.209 0.000 2.271 279 F HA -0.171 4.357 4.527 0.001 0.000 0.302 279 F C 1.529 177.222 175.800 -0.179 0.000 1.063 279 F CA 1.801 59.730 58.000 -0.117 0.000 1.362 279 F CB -0.812 38.178 39.000 -0.015 0.000 1.060 279 F HN 0.414 nan 8.300 nan 0.000 0.521 280 D N 0.005 119.920 120.400 -0.808 0.000 2.264 280 D HA -0.055 4.586 4.640 0.001 0.000 0.208 280 D C 0.424 176.513 176.300 -0.352 0.000 0.966 280 D CA 0.915 54.590 54.000 -0.541 0.000 0.864 280 D CB -0.101 40.222 40.800 -0.794 0.000 0.933 280 D HN 0.333 nan 8.370 nan 0.000 0.499 281 F N -1.290 118.365 119.950 -0.492 0.000 2.598 281 F HA 0.572 5.099 4.527 0.001 0.000 0.327 281 F C 0.509 176.113 175.800 -0.327 0.000 1.057 281 F CA -1.332 56.251 58.000 -0.694 0.000 0.957 281 F CB 0.194 38.080 39.000 -1.857 0.000 1.278 281 F HN -0.266 nan 8.300 nan 0.000 0.484 282 T N -1.764 112.855 114.554 0.109 0.000 2.833 282 T HA 0.298 4.648 4.350 0.001 0.000 0.292 282 T C 0.761 175.508 174.700 0.078 0.000 1.031 282 T CA 0.127 62.307 62.100 0.134 0.000 0.937 282 T CB 0.460 69.405 68.868 0.128 0.000 1.256 282 T HN 0.747 nan 8.240 nan 0.000 0.551 283 E N 0.426 120.645 120.200 0.031 0.000 2.038 283 E HA -0.180 4.170 4.350 0.001 0.000 0.195 283 E C 2.263 178.806 176.600 -0.094 0.000 1.000 283 E CA 1.344 57.730 56.400 -0.024 0.000 0.803 283 E CB -0.239 29.452 29.700 -0.015 0.000 0.750 283 E HN 0.611 nan 8.360 nan 0.000 0.448 284 K N 0.197 120.533 120.400 -0.107 0.000 2.127 284 K HA -0.231 4.089 4.320 0.001 0.000 0.208 284 K C 2.058 178.440 176.600 -0.363 0.000 1.047 284 K CA 1.822 57.972 56.287 -0.228 0.000 0.927 284 K CB -0.316 32.017 32.500 -0.278 0.000 0.716 284 K HN 0.265 nan 8.250 nan 0.000 0.450 285 H N -0.351 118.413 119.070 -0.509 0.000 2.389 285 H HA -0.052 4.505 4.556 0.001 0.000 0.299 285 H C 2.045 176.919 175.328 -0.756 0.000 1.081 285 H CA 1.176 56.718 56.048 -0.843 0.000 1.345 285 H CB -0.106 28.610 29.762 -1.744 0.000 1.393 285 H HN -0.084 nan 8.280 nan 0.000 0.520 286 V N 0.764 120.413 119.914 -0.443 0.000 2.358 286 V HA -0.247 3.874 4.120 0.001 0.000 0.246 286 V C 2.072 178.054 176.094 -0.186 0.000 1.047 286 V CA 1.761 63.871 62.300 -0.317 0.000 1.035 286 V CB -0.440 31.259 31.823 -0.208 0.000 0.658 286 V HN 0.496 nan 8.190 nan 0.000 0.452 287 Q N -0.413 119.287 119.800 -0.166 0.000 2.050 287 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 287 Q C 2.404 178.352 176.000 -0.086 0.000 0.980 287 Q CA 1.766 57.506 55.803 -0.105 0.000 0.840 287 Q CB -0.467 28.210 28.738 -0.101 0.000 0.898 287 Q HN 0.516 nan 8.270 nan 0.000 0.424 288 V N 1.484 121.298 119.914 -0.166 0.000 2.255 288 V HA -0.344 3.776 4.120 0.001 0.000 0.247 288 V C 2.393 178.468 176.094 -0.031 0.000 1.051 288 V CA 1.927 64.143 62.300 -0.139 0.000 1.018 288 V CB -1.183 30.429 31.823 -0.351 0.000 0.641 288 V HN 0.449 nan 8.190 nan 0.000 0.445 289 A N 0.677 123.428 122.820 -0.114 0.000 1.859 289 A HA -0.255 4.066 4.320 0.001 0.000 0.218 289 A C 2.370 179.967 177.584 0.022 0.000 1.209 289 A CA 3.290 55.299 52.037 -0.046 0.000 0.639 289 A CB -1.151 17.799 19.000 -0.083 0.000 0.835 289 A HN 0.793 nan 8.150 nan 0.000 0.450 290 V N -2.739 117.180 119.914 0.008 0.000 2.759 290 V HA 0.065 4.186 4.120 0.001 0.000 0.256 290 V C 2.407 178.513 176.094 0.019 0.000 1.080 290 V CA 1.848 64.162 62.300 0.024 0.000 1.101 290 V CB -1.390 30.442 31.823 0.015 0.000 0.698 290 V HN 0.617 nan 8.190 nan 0.000 0.477 291 A N -0.229 122.615 122.820 0.040 0.000 2.021 291 A HA 0.027 4.348 4.320 0.001 0.000 0.216 291 A C 1.684 179.165 177.584 -0.172 0.000 1.163 291 A CA 1.389 53.410 52.037 -0.027 0.000 0.676 291 A CB -0.536 18.480 19.000 0.027 0.000 0.818 291 A HN 0.758 nan 8.150 nan 0.000 0.453 292 H N -1.936 117.114 119.070 -0.034 0.000 2.916 292 H HA 0.362 4.918 4.556 0.001 0.000 0.262 292 H C -0.345 174.975 175.328 -0.014 0.000 1.178 292 H CA -0.569 55.464 56.048 -0.025 0.000 1.090 292 H CB 0.212 29.953 29.762 -0.034 0.000 1.657 292 H HN 0.129 nan 8.280 nan 0.000 0.601 293 V N 1.307 121.273 119.914 0.086 0.000 2.637 293 V HA 0.029 4.149 4.120 0.001 0.000 0.296 293 V C 0.950 177.069 176.094 0.042 0.000 1.046 293 V CA -0.292 62.046 62.300 0.062 0.000 1.066 293 V CB 1.501 33.360 31.823 0.059 0.000 0.968 293 V HN 0.440 nan 8.190 nan 0.000 0.483 294 S N 2.997 118.718 115.700 0.035 0.000 2.558 294 S HA -0.001 4.469 4.470 0.001 0.000 0.288 294 S C 1.185 175.797 174.600 0.021 0.000 1.318 294 S CA -0.100 58.113 58.200 0.021 0.000 1.056 294 S CB 0.319 63.527 63.200 0.014 0.000 0.853 294 S HN 0.819 nan 8.310 nan 0.000 0.505 295 E N 1.890 122.098 120.200 0.014 0.000 2.333 295 E HA -0.112 4.239 4.350 0.001 0.000 0.198 295 E C 1.832 178.443 176.600 0.018 0.000 1.007 295 E CA 1.428 57.839 56.400 0.018 0.000 0.845 295 E CB -0.251 29.456 29.700 0.012 0.000 0.766 295 E HN 0.955 nan 8.360 nan 0.000 0.507 296 T N -0.503 114.057 114.554 0.010 0.000 3.035 296 T HA -0.060 4.291 4.350 0.001 0.000 0.268 296 T C 0.970 175.675 174.700 0.009 0.000 1.109 296 T CA -0.211 61.890 62.100 0.002 0.000 1.119 296 T CB -0.203 68.661 68.868 -0.006 0.000 0.900 296 T HN -0.062 nan 8.240 nan 0.000 0.503 297 I N 3.875 124.459 120.570 0.023 0.000 2.775 297 I HA 0.105 4.276 4.170 0.001 0.000 0.290 297 I C 1.451 177.599 176.117 0.051 0.000 1.203 297 I CA 0.624 61.946 61.300 0.036 0.000 1.433 297 I CB 0.974 39.004 38.000 0.050 0.000 1.354 297 I HN 0.430 nan 8.210 nan 0.000 0.579 298 T N 3.105 117.694 114.554 0.058 0.000 2.969 298 T HA 0.287 4.638 4.350 0.001 0.000 0.258 298 T C 0.333 175.116 174.700 0.138 0.000 0.962 298 T CA -0.194 61.959 62.100 0.088 0.000 0.903 298 T CB 0.025 68.934 68.868 0.068 0.000 1.177 298 T HN 0.598 nan 8.240 nan 0.000 0.511 299 Q N 1.143 121.004 119.800 0.101 0.000 2.303 299 Q HA 0.638 4.978 4.340 0.001 0.000 0.267 299 Q C -2.126 173.936 176.000 0.103 0.000 1.011 299 Q CA -0.750 55.120 55.803 0.113 0.000 0.740 299 Q CB 2.640 31.358 28.738 -0.034 0.000 1.250 299 Q HN 0.301 nan 8.270 nan 0.000 0.458 300 L N 2.669 123.973 121.223 0.135 0.000 2.385 300 L HA 0.569 4.910 4.340 0.001 0.000 0.273 300 L C -1.419 175.534 176.870 0.138 0.000 0.990 300 L CA -0.236 54.681 54.840 0.127 0.000 0.821 300 L CB 1.790 43.923 42.059 0.124 0.000 1.279 300 L HN 0.459 nan 8.230 nan 0.000 0.412 301 N N 5.641 124.427 118.700 0.144 0.000 2.569 301 N HA 0.318 5.059 4.740 0.001 0.000 0.254 301 N C -1.093 174.518 175.510 0.169 0.000 1.004 301 N CA -0.199 52.939 53.050 0.147 0.000 0.904 301 N CB 0.937 39.514 38.487 0.149 0.000 1.165 301 N HN 0.800 nan 8.380 nan 0.000 0.513 302 L N 2.262 123.584 121.223 0.165 0.000 3.154 302 L HA 0.200 4.540 4.340 0.001 0.000 0.266 302 L C 0.557 177.475 176.870 0.081 0.000 1.300 302 L CA -0.225 54.772 54.840 0.260 0.000 1.028 302 L CB 0.028 42.260 42.059 0.287 0.000 1.412 302 L HN 0.402 nan 8.230 nan 0.000 0.564 303 S N -1.526 114.091 115.700 -0.139 0.000 2.617 303 S HA 0.601 5.072 4.470 0.001 0.000 0.269 303 S C 1.159 174.987 174.600 -1.287 0.000 1.292 303 S CA 0.341 58.294 58.200 -0.411 0.000 1.010 303 S CB 1.745 64.870 63.200 -0.124 0.000 0.944 303 S HN 0.525 nan 8.310 nan 0.000 0.536 304 G N -0.086 107.828 108.800 -1.476 0.000 2.176 304 G HA2 -0.202 3.759 3.960 0.001 0.000 0.232 304 G HA3 -0.202 3.759 3.960 0.001 0.000 0.232 304 G C -0.331 173.690 174.900 -1.466 0.000 0.986 304 G CA -0.049 43.580 45.100 -2.451 0.000 0.643 304 G HN 0.809 nan 8.290 nan 0.000 0.522 305 Y N 1.171 121.190 120.300 -0.469 0.000 2.854 305 Y HA 0.605 5.156 4.550 0.001 0.000 0.330 305 Y C 1.612 177.428 175.900 -0.140 0.000 1.037 305 Y CA -1.146 56.822 58.100 -0.220 0.000 1.263 305 Y CB 0.630 39.043 38.460 -0.078 0.000 1.120 305 Y HN 0.104 nan 8.280 nan 0.000 0.532 306 R N 1.539 122.013 120.500 -0.043 0.000 2.340 306 R HA -0.197 4.143 4.340 0.001 0.000 0.199 306 R C 1.893 178.219 176.300 0.043 0.000 0.998 306 R CA 1.833 57.932 56.100 -0.002 0.000 0.874 306 R CB -0.302 30.013 30.300 0.025 0.000 0.721 306 R HN 0.480 nan 8.270 nan 0.000 0.473 307 K N 0.704 121.136 120.400 0.054 0.000 2.515 307 K HA -0.015 4.305 4.320 0.001 0.000 0.196 307 K C 0.698 177.331 176.600 0.054 0.000 1.038 307 K CA 1.464 57.782 56.287 0.051 0.000 0.967 307 K CB -0.165 32.365 32.500 0.049 0.000 0.780 307 K HN 0.182 nan 8.250 nan 0.000 0.483 308 N N 0.189 118.935 118.700 0.076 0.000 2.336 308 N HA 0.033 4.773 4.740 0.001 0.000 0.189 308 N C -0.652 174.894 175.510 0.059 0.000 1.113 308 N CA 0.108 53.201 53.050 0.071 0.000 0.858 308 N CB 0.284 38.831 38.487 0.100 0.000 0.970 308 N HN 0.218 nan 8.380 nan 0.000 0.471 309 L N 2.489 123.757 121.223 0.075 0.000 2.313 309 L HA 0.291 4.632 4.340 0.001 0.000 0.273 309 L C -0.391 176.501 176.870 0.036 0.000 1.028 309 L CA -0.445 54.434 54.840 0.065 0.000 0.871 309 L CB 0.587 42.713 42.059 0.112 0.000 1.242 309 L HN -0.153 nan 8.230 nan 0.000 0.434 310 Q N 2.327 122.136 119.800 0.015 0.000 2.318 310 Q HA 0.108 4.449 4.340 0.001 0.000 0.222 310 Q C 0.798 176.792 176.000 -0.011 0.000 1.003 310 Q CA -0.169 55.634 55.803 -0.000 0.000 0.936 310 Q CB 0.907 29.640 28.738 -0.009 0.000 1.204 310 Q HN 0.598 nan 8.270 nan 0.000 0.524 311 K N 0.529 120.911 120.400 -0.030 0.000 2.097 311 K HA -0.149 4.172 4.320 0.001 0.000 0.205 311 K C 1.726 178.292 176.600 -0.056 0.000 1.050 311 K CA 1.546 57.799 56.287 -0.058 0.000 0.938 311 K CB 0.034 32.489 32.500 -0.075 0.000 0.718 311 K HN 0.624 nan 8.250 nan 0.000 0.442 312 S N 0.909 116.584 115.700 -0.041 0.000 2.399 312 S HA -0.154 4.316 4.470 0.001 0.000 0.231 312 S C 1.359 175.942 174.600 -0.029 0.000 1.022 312 S CA 1.431 59.609 58.200 -0.037 0.000 0.983 312 S CB -0.295 62.888 63.200 -0.029 0.000 0.803 312 S HN 0.328 nan 8.310 nan 0.000 0.480 313 D N 1.228 121.615 120.400 -0.021 0.000 2.224 313 D HA 0.054 4.694 4.640 0.001 0.000 0.205 313 D C 1.808 178.107 176.300 -0.001 0.000 0.965 313 D CA 0.510 54.503 54.000 -0.011 0.000 0.852 313 D CB -0.180 40.616 40.800 -0.005 0.000 0.947 313 D HN 0.371 nan 8.370 nan 0.000 0.494 314 L N 0.560 121.775 121.223 -0.014 0.000 2.240 314 L HA -0.082 4.258 4.340 0.001 0.000 0.211 314 L C 2.041 178.890 176.870 -0.036 0.000 1.106 314 L CA 0.601 55.432 54.840 -0.016 0.000 0.793 314 L CB 0.075 42.087 42.059 -0.078 0.000 0.927 314 L HN -0.098 nan 8.230 nan 0.000 0.446 315 S N -0.553 115.118 115.700 -0.048 0.000 2.345 315 S HA -0.168 4.302 4.470 0.001 0.000 0.220 315 S C 1.792 176.381 174.600 -0.018 0.000 1.031 315 S CA 1.806 59.980 58.200 -0.044 0.000 0.996 315 S CB -0.403 62.769 63.200 -0.046 0.000 0.882 315 S HN 0.460 nan 8.310 nan 0.000 0.445 316 T N 3.294 117.838 114.554 -0.016 0.000 2.653 316 T HA -0.121 4.229 4.350 0.001 0.000 0.268 316 T C 1.722 176.423 174.700 0.002 0.000 1.035 316 T CA 1.252 63.344 62.100 -0.013 0.000 1.154 316 T CB -0.592 68.265 68.868 -0.017 0.000 0.862 316 T HN 0.206 nan 8.240 nan 0.000 0.441 317 L N 0.978 122.211 121.223 0.017 0.000 1.989 317 L HA -0.127 4.214 4.340 0.001 0.000 0.211 317 L C 2.520 179.421 176.870 0.051 0.000 1.071 317 L CA 1.590 56.454 54.840 0.041 0.000 0.749 317 L CB -0.463 41.636 42.059 0.066 0.000 0.890 317 L HN 0.148 nan 8.230 nan 0.000 0.431 318 V N -0.015 119.931 119.914 0.052 0.000 2.490 318 V HA -0.291 3.830 4.120 0.001 0.000 0.250 318 V C 2.672 178.795 176.094 0.047 0.000 1.061 318 V CA 2.005 64.343 62.300 0.063 0.000 1.064 318 V CB -0.819 31.032 31.823 0.047 0.000 0.670 318 V HN 0.490 nan 8.190 nan 0.000 0.461 319 R N 0.310 120.825 120.500 0.025 0.000 2.062 319 R HA -0.115 4.225 4.340 0.001 0.000 0.231 319 R C 2.537 178.849 176.300 0.020 0.000 1.136 319 R CA 1.590 57.700 56.100 0.017 0.000 0.948 319 R CB -0.130 30.170 30.300 0.001 0.000 0.845 319 R HN 0.422 nan 8.270 nan 0.000 0.430 320 R N -1.102 119.406 120.500 0.013 0.000 2.193 320 R HA 0.057 4.398 4.340 0.001 0.000 0.213 320 R C 0.294 176.610 176.300 0.027 0.000 1.055 320 R CA 0.463 56.568 56.100 0.008 0.000 0.995 320 R CB 0.306 30.599 30.300 -0.012 0.000 0.893 320 R HN 0.177 nan 8.270 nan 0.000 0.459 321 C N 1.900 121.228 119.300 0.046 0.000 3.003 321 C HA 0.269 4.730 4.460 0.001 0.000 0.241 321 C C -1.380 173.664 174.990 0.091 0.000 1.224 321 C CA -1.343 57.713 59.018 0.063 0.000 1.560 321 C CB 1.203 28.983 27.740 0.066 0.000 1.768 321 C HN 0.259 nan 8.230 nan 0.000 0.440 322 P HA -0.048 nan 4.420 nan 0.000 0.237 322 P C 0.578 178.008 177.300 0.216 0.000 1.178 322 P CA 1.152 64.340 63.100 0.147 0.000 0.766 322 P CB 0.266 32.050 31.700 0.139 0.000 0.876 323 N N 0.062 118.850 118.700 0.146 0.000 2.322 323 N HA 0.104 4.845 4.740 0.001 0.000 0.194 323 N C 0.614 176.203 175.510 0.132 0.000 1.126 323 N CA -0.012 53.104 53.050 0.111 0.000 0.845 323 N CB 0.148 38.636 38.487 0.002 0.000 0.976 323 N HN 0.285 nan 8.380 nan 0.000 0.475 324 L N 1.222 122.541 121.223 0.159 0.000 2.534 324 L HA 0.014 4.354 4.340 0.001 0.000 0.271 324 L C 1.358 178.335 176.870 0.177 0.000 1.178 324 L CA -0.113 54.820 54.840 0.156 0.000 0.907 324 L CB 0.845 42.991 42.059 0.145 0.000 1.164 324 L HN -0.111 nan 8.230 nan 0.000 0.482 325 V N 1.550 121.583 119.914 0.198 0.000 3.307 325 V HA 0.054 4.175 4.120 0.001 0.000 0.244 325 V C -0.072 176.113 176.094 0.151 0.000 1.196 325 V CA 0.332 62.754 62.300 0.203 0.000 1.132 325 V CB -0.078 31.913 31.823 0.281 0.000 0.875 325 V HN 0.683 nan 8.190 nan 0.000 0.468 326 H N 0.208 119.361 119.070 0.138 0.000 2.589 326 H HA 0.723 5.279 4.556 0.001 0.000 0.335 326 H C -1.127 174.249 175.328 0.079 0.000 1.019 326 H CA -0.473 55.651 56.048 0.127 0.000 1.213 326 H CB 1.863 31.682 29.762 0.095 0.000 1.472 326 H HN 0.081 nan 8.280 nan 0.000 0.508 327 L N 3.257 124.548 121.223 0.113 0.000 2.446 327 L HA 0.379 4.720 4.340 0.001 0.000 0.268 327 L C -1.270 175.616 176.870 0.028 0.000 0.975 327 L CA -0.462 54.418 54.840 0.066 0.000 0.848 327 L CB 1.514 43.576 42.059 0.004 0.000 1.225 327 L HN 0.596 nan 8.230 nan 0.000 0.410 328 D N 5.077 125.524 120.400 0.078 0.000 2.349 328 D HA 0.357 4.997 4.640 0.001 0.000 0.232 328 D C -0.048 176.291 176.300 0.065 0.000 1.071 328 D CA -0.084 53.955 54.000 0.066 0.000 0.832 328 D CB 1.385 42.245 40.800 0.100 0.000 1.086 328 D HN 0.678 nan 8.370 nan 0.000 0.504 329 L N 2.225 123.475 121.223 0.045 0.000 3.122 329 L HA 0.164 4.505 4.340 0.001 0.000 0.274 329 L C 0.664 177.545 176.870 0.017 0.000 1.222 329 L CA -0.297 54.579 54.840 0.059 0.000 1.028 329 L CB 0.550 42.690 42.059 0.135 0.000 1.386 329 L HN 0.164 nan 8.230 nan 0.000 0.578 330 S N 0.983 116.692 115.700 0.014 0.000 2.571 330 S HA -0.103 4.368 4.470 0.001 0.000 0.298 330 S C 0.619 175.182 174.600 -0.062 0.000 1.280 330 S CA 0.437 58.641 58.200 0.008 0.000 1.052 330 S CB 0.132 63.379 63.200 0.078 0.000 0.799 330 S HN 0.499 nan 8.310 nan 0.000 0.501 331 D N 0.051 120.398 120.400 -0.088 0.000 3.076 331 D HA -0.130 4.510 4.640 0.001 0.000 0.218 331 D C -0.609 175.601 176.300 -0.150 0.000 1.156 331 D CA 0.830 54.743 54.000 -0.144 0.000 0.921 331 D CB -1.557 39.163 40.800 -0.134 0.000 1.113 331 D HN 0.454 nan 8.370 nan 0.000 0.418 332 S N 0.639 116.285 115.700 -0.089 0.000 3.869 332 S HA 0.242 4.713 4.470 0.001 0.000 0.241 332 S C 1.765 176.354 174.600 -0.018 0.000 1.363 332 S CA -0.495 57.687 58.200 -0.030 0.000 0.894 332 S CB 1.222 64.441 63.200 0.031 0.000 1.519 332 S HN 0.136 nan 8.310 nan 0.000 0.470 333 V N 2.365 122.265 119.914 -0.023 0.000 2.428 333 V HA -0.264 3.856 4.120 0.001 0.000 0.255 333 V C 2.208 178.326 176.094 0.039 0.000 1.080 333 V CA 1.724 64.036 62.300 0.019 0.000 1.083 333 V CB -0.513 31.348 31.823 0.064 0.000 0.665 333 V HN 0.695 nan 8.190 nan 0.000 0.461 334 M N -1.198 118.419 119.600 0.029 0.000 2.288 334 M HA 0.108 4.588 4.480 0.001 0.000 0.266 334 M C 0.942 177.247 176.300 0.009 0.000 1.072 334 M CA 0.761 56.074 55.300 0.022 0.000 1.132 334 M CB -0.783 31.827 32.600 0.017 0.000 1.386 334 M HN 0.201 nan 8.290 nan 0.000 0.432 335 L N 1.752 122.985 121.223 0.017 0.000 2.534 335 L HA -0.020 4.321 4.340 0.001 0.000 0.271 335 L C 0.604 177.471 176.870 -0.006 0.000 1.178 335 L CA 0.446 55.292 54.840 0.010 0.000 0.907 335 L CB -0.233 41.868 42.059 0.069 0.000 1.164 335 L HN 0.172 nan 8.230 nan 0.000 0.482 336 K N 2.165 122.519 120.400 -0.077 0.000 2.393 336 K HA 0.214 4.534 4.320 0.001 0.000 0.241 336 K C 1.010 177.403 176.600 -0.344 0.000 1.055 336 K CA -0.822 55.380 56.287 -0.141 0.000 0.951 336 K CB 0.723 33.144 32.500 -0.133 0.000 1.285 336 K HN 0.558 nan 8.250 nan 0.000 0.500 337 N N 0.983 119.350 118.700 -0.556 0.000 2.520 337 N HA -0.156 4.584 4.740 0.001 0.000 0.185 337 N C 0.395 175.282 175.510 -1.039 0.000 1.068 337 N CA 1.139 53.366 53.050 -1.373 0.000 0.911 337 N CB -0.242 37.663 38.487 -0.970 0.000 0.961 337 N HN 0.555 nan 8.380 nan 0.000 0.446 338 D N -0.284 119.816 120.400 -0.500 0.000 2.338 338 D HA -0.010 4.631 4.640 0.001 0.000 0.239 338 D C 0.843 176.966 176.300 -0.295 0.000 1.095 338 D CA -0.202 53.611 54.000 -0.311 0.000 0.888 338 D CB -0.795 39.891 40.800 -0.190 0.000 0.899 338 D HN 0.282 nan 8.370 nan 0.000 0.525 339 C N -0.698 118.384 119.300 -0.364 0.000 2.611 339 C HA 0.172 4.632 4.460 0.001 0.000 0.282 339 C C 2.009 176.713 174.990 -0.475 0.000 1.321 339 C CA -0.487 58.307 59.018 -0.374 0.000 1.747 339 C CB -0.972 26.574 27.740 -0.323 0.000 2.124 339 C HN 0.185 nan 8.230 nan 0.000 0.531 340 F N 3.012 122.630 119.950 -0.554 0.000 2.236 340 F HA -0.208 4.319 4.527 0.001 0.000 0.302 340 F C 2.568 177.584 175.800 -1.307 0.000 1.073 340 F CA 1.460 59.010 58.000 -0.750 0.000 1.336 340 F CB -1.499 37.221 39.000 -0.467 0.000 1.040 340 F HN 0.515 nan 8.300 nan 0.000 0.507 341 Q N -0.358 119.118 119.800 -0.541 0.000 2.437 341 Q HA -0.166 4.175 4.340 0.001 0.000 0.210 341 Q C 1.491 177.353 176.000 -0.229 0.000 0.972 341 Q CA 1.362 56.991 55.803 -0.290 0.000 0.903 341 Q CB -0.301 28.411 28.738 -0.042 0.000 0.967 341 Q HN 0.277 nan 8.270 nan 0.000 0.486 342 E N 0.595 120.569 120.200 -0.376 0.000 2.127 342 E HA 0.079 4.430 4.350 0.001 0.000 0.191 342 E C 1.261 177.774 176.600 -0.146 0.000 0.964 342 E CA 0.591 56.834 56.400 -0.262 0.000 0.832 342 E CB -0.095 29.388 29.700 -0.362 0.000 0.790 342 E HN 0.435 nan 8.360 nan 0.000 0.465 343 F N -0.477 119.372 119.950 -0.169 0.000 2.269 343 F HA -0.137 4.391 4.527 0.001 0.000 0.301 343 F C 1.646 177.458 175.800 0.020 0.000 1.082 343 F CA 0.414 58.347 58.000 -0.110 0.000 1.360 343 F CB -0.195 38.688 39.000 -0.195 0.000 1.041 343 F HN 0.059 nan 8.300 nan 0.000 0.512 344 F N 0.077 120.131 119.950 0.173 0.000 2.293 344 F HA -0.192 4.335 4.527 0.001 0.000 0.300 344 F C 2.119 177.945 175.800 0.043 0.000 1.086 344 F CA 0.414 58.464 58.000 0.083 0.000 1.375 344 F CB -0.455 38.583 39.000 0.063 0.000 1.045 344 F HN 0.006 nan 8.300 nan 0.000 0.516 345 Q N 0.551 120.478 119.800 0.212 0.000 2.482 345 Q HA 0.053 4.394 4.340 0.001 0.000 0.209 345 Q C -0.024 176.033 176.000 0.096 0.000 0.961 345 Q CA 0.314 56.189 55.803 0.120 0.000 0.945 345 Q CB 0.112 28.898 28.738 0.080 0.000 1.012 345 Q HN 0.425 nan 8.270 nan 0.000 0.515 346 L N 1.533 122.830 121.223 0.122 0.000 2.262 346 L HA 0.253 4.594 4.340 0.001 0.000 0.288 346 L C 0.461 177.337 176.870 0.010 0.000 1.035 346 L CA -0.457 54.442 54.840 0.099 0.000 0.820 346 L CB 0.936 43.084 42.059 0.147 0.000 1.204 346 L HN 0.065 nan 8.230 nan 0.000 0.424 347 N N 2.156 120.769 118.700 -0.145 0.000 2.268 347 N HA 0.053 4.794 4.740 0.001 0.000 0.204 347 N C 0.114 175.229 175.510 -0.659 0.000 1.124 347 N CA 0.469 53.274 53.050 -0.408 0.000 0.838 347 N CB 0.544 38.709 38.487 -0.537 0.000 0.994 347 N HN 0.610 nan 8.380 nan 0.000 0.489 348 Y N -0.529 119.789 120.300 0.030 0.000 2.610 348 Y HA 0.258 4.809 4.550 0.001 0.000 0.254 348 Y C 0.256 176.157 175.900 0.002 0.000 1.110 348 Y CA -0.841 57.269 58.100 0.018 0.000 1.238 348 Y CB 0.538 39.019 38.460 0.034 0.000 1.322 348 Y HN -0.092 nan 8.280 nan 0.000 0.547 349 L N 3.279 124.555 121.223 0.089 0.000 2.500 349 L HA 0.050 4.391 4.340 0.001 0.000 0.272 349 L C 0.897 177.719 176.870 -0.080 0.000 1.149 349 L CA 0.971 55.821 54.840 0.018 0.000 0.897 349 L CB 0.524 42.584 42.059 0.002 0.000 1.178 349 L HN 0.466 nan 8.230 nan 0.000 0.473 350 Q N 2.417 122.107 119.800 -0.184 0.000 2.140 350 Q HA 0.267 4.608 4.340 0.001 0.000 0.227 350 Q C -0.771 174.767 176.000 -0.769 0.000 0.798 350 Q CA -0.180 55.377 55.803 -0.409 0.000 0.987 350 Q CB 0.473 28.960 28.738 -0.418 0.000 1.161 350 Q HN 0.760 nan 8.270 nan 0.000 0.480 351 H N 0.546 119.472 119.070 -0.240 0.000 3.018 351 H HA 0.565 5.122 4.556 0.001 0.000 0.334 351 H C -1.973 173.228 175.328 -0.212 0.000 0.983 351 H CA -0.662 55.225 56.048 -0.267 0.000 1.363 351 H CB 2.116 31.577 29.762 -0.502 0.000 1.668 351 H HN 0.097 nan 8.280 nan 0.000 0.513 352 L N 1.929 123.085 121.223 -0.112 0.000 2.388 352 L HA 0.759 5.100 4.340 0.001 0.000 0.264 352 L C -0.960 175.827 176.870 -0.137 0.000 0.998 352 L CA -0.206 54.513 54.840 -0.203 0.000 0.817 352 L CB 2.335 44.155 42.059 -0.399 0.000 1.338 352 L HN 0.554 nan 8.230 nan 0.000 0.414 353 S N 4.505 120.134 115.700 -0.118 0.000 2.557 353 S HA 0.680 5.151 4.470 0.001 0.000 0.291 353 S C -0.125 174.448 174.600 -0.046 0.000 1.116 353 S CA -0.385 57.787 58.200 -0.046 0.000 0.992 353 S CB 1.396 64.612 63.200 0.027 0.000 1.028 353 S HN 0.646 nan 8.310 nan 0.000 0.484 354 L N 1.241 122.449 121.223 -0.024 0.000 3.429 354 L HA 0.261 4.602 4.340 0.001 0.000 0.311 354 L C 0.205 177.079 176.870 0.006 0.000 1.274 354 L CA -0.146 54.699 54.840 0.008 0.000 1.037 354 L CB 0.747 42.824 42.059 0.030 0.000 1.433 354 L HN 0.470 nan 8.230 nan 0.000 0.614 355 S N 0.962 116.682 115.700 0.033 0.000 2.573 355 S HA 0.045 4.516 4.470 0.001 0.000 0.297 355 S C 0.992 175.568 174.600 -0.041 0.000 1.280 355 S CA 0.296 58.533 58.200 0.062 0.000 1.061 355 S CB 0.237 63.544 63.200 0.178 0.000 0.812 355 S HN 0.447 nan 8.310 nan 0.000 0.500 356 R N -0.513 119.913 120.500 -0.123 0.000 3.875 356 R HA -0.176 4.164 4.340 0.001 0.000 0.321 356 R C -0.674 175.143 176.300 -0.804 0.000 1.196 356 R CA 0.663 56.442 56.100 -0.535 0.000 0.868 356 R CB -2.474 27.634 30.300 -0.320 0.000 1.333 356 R HN 0.608 nan 8.270 nan 0.000 0.522 357 C N 1.382 120.468 119.300 -0.356 0.000 2.183 357 C HA 0.184 4.645 4.460 0.001 0.000 0.409 357 C C 1.627 176.550 174.990 -0.112 0.000 1.022 357 C CA -0.582 58.316 59.018 -0.199 0.000 1.367 357 C CB -1.454 26.276 27.740 -0.016 0.000 1.650 357 C HN 0.391 nan 8.230 nan 0.000 0.499 358 Y N -0.132 120.206 120.300 0.063 0.000 2.465 358 Y HA -0.177 4.373 4.550 0.001 0.000 0.289 358 Y C 1.681 177.605 175.900 0.040 0.000 1.150 358 Y CA 0.765 58.896 58.100 0.051 0.000 1.293 358 Y CB -0.107 38.380 38.460 0.045 0.000 0.977 358 Y HN 0.565 nan 8.280 nan 0.000 0.556 359 D N 0.046 120.537 120.400 0.151 0.000 2.340 359 D HA 0.113 4.754 4.640 0.001 0.000 0.220 359 D C -0.112 176.220 176.300 0.053 0.000 1.039 359 D CA 0.388 54.440 54.000 0.088 0.000 0.866 359 D CB 0.053 40.886 40.800 0.055 0.000 0.913 359 D HN 0.244 nan 8.370 nan 0.000 0.523 360 I N 1.958 122.575 120.570 0.079 0.000 2.287 360 I HA 0.151 4.322 4.170 0.001 0.000 0.290 360 I C 0.184 176.357 176.117 0.094 0.000 1.069 360 I CA -0.543 60.805 61.300 0.080 0.000 1.237 360 I CB 0.679 38.784 38.000 0.174 0.000 1.418 360 I HN -0.199 nan 8.210 nan 0.000 0.481 361 I N 8.858 129.459 120.570 0.053 0.000 2.821 361 I HA -0.055 4.115 4.170 0.001 0.000 0.294 361 I C -1.118 175.052 176.117 0.087 0.000 1.210 361 I CA -0.937 60.398 61.300 0.059 0.000 1.430 361 I CB 0.246 38.264 38.000 0.029 0.000 1.356 361 I HN 0.361 nan 8.210 nan 0.000 0.563 362 P HA -0.227 nan 4.420 nan 0.000 0.218 362 P C 1.026 178.372 177.300 0.078 0.000 1.152 362 P CA 1.406 64.551 63.100 0.075 0.000 0.857 362 P CB 0.236 31.968 31.700 0.054 0.000 0.787 363 E N -1.184 119.058 120.200 0.070 0.000 2.047 363 E HA -0.143 4.207 4.350 0.001 0.000 0.191 363 E C 2.070 178.735 176.600 0.108 0.000 0.987 363 E CA 1.884 58.326 56.400 0.070 0.000 0.799 363 E CB -1.701 28.030 29.700 0.051 0.000 0.752 363 E HN 0.372 nan 8.360 nan 0.000 0.449 364 T N -0.336 114.295 114.554 0.129 0.000 2.869 364 T HA -0.173 4.178 4.350 0.001 0.000 0.270 364 T C 1.819 176.752 174.700 0.388 0.000 1.082 364 T CA 0.884 63.105 62.100 0.202 0.000 1.123 364 T CB -0.479 68.448 68.868 0.098 0.000 0.856 364 T HN 0.090 nan 8.240 nan 0.000 0.499 365 L N -0.265 121.140 121.223 0.303 0.000 2.349 365 L HA -0.012 4.328 4.340 0.001 0.000 0.220 365 L C 2.457 179.396 176.870 0.114 0.000 1.130 365 L CA 0.482 55.443 54.840 0.202 0.000 0.791 365 L CB -0.618 41.493 42.059 0.088 0.000 0.918 365 L HN 0.286 nan 8.230 nan 0.000 0.444 366 L N -0.142 121.162 121.223 0.135 0.000 2.141 366 L HA -0.163 4.178 4.340 0.001 0.000 0.209 366 L C 2.279 179.228 176.870 0.131 0.000 1.094 366 L CA 1.615 56.512 54.840 0.096 0.000 0.763 366 L CB -0.382 41.726 42.059 0.082 0.000 0.908 366 L HN 0.216 nan 8.230 nan 0.000 0.437 367 E N -0.451 119.886 120.200 0.228 0.000 2.160 367 E HA -0.215 4.136 4.350 0.001 0.000 0.195 367 E C 2.028 178.813 176.600 0.309 0.000 0.991 367 E CA 1.088 57.678 56.400 0.316 0.000 0.810 367 E CB -0.298 29.735 29.700 0.555 0.000 0.742 367 E HN 0.502 nan 8.360 nan 0.000 0.466 368 L N 0.506 121.813 121.223 0.139 0.000 2.651 368 L HA -0.084 4.257 4.340 0.001 0.000 0.236 368 L C 2.086 179.026 176.870 0.118 0.000 1.173 368 L CA 0.406 55.285 54.840 0.065 0.000 0.843 368 L CB -0.439 41.497 42.059 -0.204 0.000 0.964 368 L HN 0.204 nan 8.230 nan 0.000 0.454 369 G N -0.927 107.940 108.800 0.111 0.000 2.813 369 G HA2 -0.106 3.854 3.960 0.001 0.000 0.209 369 G HA3 -0.106 3.854 3.960 0.001 0.000 0.209 369 G C 1.383 176.279 174.900 -0.007 0.000 1.150 369 G CA -0.097 45.070 45.100 0.112 0.000 0.785 369 G HN 0.258 nan 8.290 nan 0.000 0.535 370 E N 0.624 120.781 120.200 -0.072 0.000 2.152 370 E HA -0.008 4.342 4.350 0.001 0.000 0.192 370 E C 1.120 177.578 176.600 -0.236 0.000 0.983 370 E CA 0.134 56.338 56.400 -0.326 0.000 0.818 370 E CB -0.014 29.091 29.700 -0.991 0.000 0.758 370 E HN 0.436 nan 8.360 nan 0.000 0.467 371 I N 3.580 124.138 120.570 -0.020 0.000 2.574 371 I HA -0.034 4.137 4.170 0.001 0.000 0.291 371 I C -1.466 174.614 176.117 -0.062 0.000 1.131 371 I CA -1.083 60.241 61.300 0.041 0.000 1.352 371 I CB 0.322 38.405 38.000 0.139 0.000 1.431 371 I HN -0.142 nan 8.210 nan 0.000 0.543 372 P HA -0.166 nan 4.420 nan 0.000 0.215 372 P C 1.585 178.801 177.300 -0.140 0.000 1.157 372 P CA 1.379 64.384 63.100 -0.158 0.000 0.868 372 P CB 0.034 31.651 31.700 -0.138 0.000 0.788 373 T N -3.009 111.485 114.554 -0.100 0.000 2.995 373 T HA -0.030 4.321 4.350 0.001 0.000 0.269 373 T C 0.816 175.460 174.700 -0.093 0.000 1.091 373 T CA -0.028 62.023 62.100 -0.082 0.000 1.128 373 T CB -0.997 67.833 68.868 -0.064 0.000 0.891 373 T HN -0.136 nan 8.240 nan 0.000 0.492 374 L N 2.095 123.269 121.223 -0.082 0.000 2.628 374 L HA 0.122 4.463 4.340 0.001 0.000 0.274 374 L C 1.064 177.896 176.870 -0.063 0.000 1.209 374 L CA 0.430 55.213 54.840 -0.096 0.000 0.930 374 L CB 0.278 42.317 42.059 -0.033 0.000 1.183 374 L HN -0.000 nan 8.230 nan 0.000 0.492 375 K N 2.037 122.313 120.400 -0.207 0.000 2.350 375 K HA 0.232 4.553 4.320 0.001 0.000 0.196 375 K C 0.278 176.812 176.600 -0.110 0.000 1.084 375 K CA 0.841 57.040 56.287 -0.147 0.000 0.967 375 K CB 0.413 32.771 32.500 -0.237 0.000 0.950 375 K HN 0.787 nan 8.250 nan 0.000 0.512 376 T N -0.911 113.555 114.554 -0.147 0.000 2.900 376 T HA 0.636 4.987 4.350 0.001 0.000 0.303 376 T C -1.213 173.440 174.700 -0.078 0.000 1.142 376 T CA -0.910 61.164 62.100 -0.043 0.000 1.007 376 T CB 1.906 70.853 68.868 0.131 0.000 1.156 376 T HN -0.072 nan 8.240 nan 0.000 0.490 377 L N 1.448 122.614 121.223 -0.095 0.000 2.436 377 L HA 0.612 4.953 4.340 0.001 0.000 0.268 377 L C -1.526 175.259 176.870 -0.143 0.000 0.974 377 L CA -0.432 54.330 54.840 -0.131 0.000 0.826 377 L CB 2.263 44.225 42.059 -0.162 0.000 1.291 377 L HN 0.711 nan 8.230 nan 0.000 0.406 378 Q N 5.271 125.000 119.800 -0.118 0.000 2.357 378 Q HA 0.537 4.878 4.340 0.001 0.000 0.266 378 Q C -0.801 175.123 176.000 -0.127 0.000 1.021 378 Q CA -0.361 55.368 55.803 -0.122 0.000 0.784 378 Q CB 2.249 31.035 28.738 0.081 0.000 1.243 378 Q HN 0.568 nan 8.270 nan 0.000 0.465 379 V N -0.259 119.483 119.914 -0.286 0.000 2.405 379 V HA 0.491 4.612 4.120 0.001 0.000 0.253 379 V C -0.364 175.604 176.094 -0.210 0.000 0.963 379 V CA -0.744 61.457 62.300 -0.166 0.000 1.003 379 V CB -0.578 31.166 31.823 -0.132 0.000 1.251 379 V HN 0.355 nan 8.190 nan 0.000 0.520 380 F N 1.782 121.693 119.950 -0.065 0.000 2.382 380 F HA 0.719 5.247 4.527 0.001 0.000 0.331 380 F C 1.707 177.514 175.800 0.012 0.000 1.121 380 F CA 1.126 59.098 58.000 -0.046 0.000 1.183 380 F CB 1.287 40.234 39.000 -0.089 0.000 1.207 380 F HN 0.623 nan 8.300 nan 0.000 0.555 381 G N 1.534 110.489 108.800 0.258 0.000 2.184 381 G HA2 -0.334 3.627 3.960 0.001 0.000 0.264 381 G HA3 -0.334 3.627 3.960 0.001 0.000 0.264 381 G C 0.605 175.661 174.900 0.260 0.000 0.975 381 G CA 0.746 45.995 45.100 0.248 0.000 0.642 381 G HN 0.912 nan 8.290 nan 0.000 0.536 382 I N -3.132 117.542 120.570 0.173 0.000 4.442 382 I HA 0.591 4.762 4.170 0.001 0.000 0.331 382 I C -0.136 176.038 176.117 0.095 0.000 1.364 382 I CA -0.430 60.973 61.300 0.171 0.000 1.207 382 I CB 0.978 39.075 38.000 0.163 0.000 1.298 382 I HN -0.063 nan 8.210 nan 0.000 0.463 383 V N 3.526 123.472 119.914 0.052 0.000 2.378 383 V HA 0.495 4.615 4.120 0.001 0.000 0.288 383 V C -2.241 173.863 176.094 0.017 0.000 1.016 383 V CA -1.423 60.887 62.300 0.017 0.000 0.840 383 V CB 1.133 32.934 31.823 -0.035 0.000 0.994 383 V HN 0.068 nan 8.190 nan 0.000 0.431 384 P HA 0.088 nan 4.420 nan 0.000 0.266 384 P C 0.669 177.974 177.300 0.008 0.000 1.195 384 P CA -0.045 63.067 63.100 0.020 0.000 0.768 384 P CB 0.610 32.322 31.700 0.019 0.000 0.838 385 D N 2.182 122.590 120.400 0.013 0.000 2.190 385 D HA -0.142 4.499 4.640 0.001 0.000 0.200 385 D C 1.979 178.278 176.300 -0.002 0.000 0.992 385 D CA 1.862 55.865 54.000 0.006 0.000 0.854 385 D CB -0.272 40.537 40.800 0.015 0.000 0.936 385 D HN 0.564 nan 8.370 nan 0.000 0.462 386 G N 0.573 109.375 108.800 0.003 0.000 2.454 386 G HA2 -0.239 3.722 3.960 0.001 0.000 0.214 386 G HA3 -0.239 3.722 3.960 0.001 0.000 0.214 386 G C 1.692 176.590 174.900 -0.003 0.000 1.217 386 G CA 1.853 46.954 45.100 0.001 0.000 0.799 386 G HN 0.374 nan 8.290 nan 0.000 0.538 387 T N -0.311 114.243 114.554 -0.000 0.000 2.929 387 T HA -0.072 4.279 4.350 0.001 0.000 0.271 387 T C 2.282 176.974 174.700 -0.014 0.000 1.085 387 T CA 1.358 63.458 62.100 -0.001 0.000 1.125 387 T CB -0.161 68.712 68.868 0.008 0.000 0.874 387 T HN 0.097 nan 8.240 nan 0.000 0.494 388 L N 0.505 121.714 121.223 -0.024 0.000 2.072 388 L HA 0.145 4.486 4.340 0.001 0.000 0.205 388 L C 2.553 179.393 176.870 -0.050 0.000 1.079 388 L CA 1.691 56.502 54.840 -0.049 0.000 0.752 388 L CB -0.801 41.219 42.059 -0.064 0.000 0.906 388 L HN 0.116 nan 8.230 nan 0.000 0.436 389 Q N -0.759 119.020 119.800 -0.034 0.000 2.230 389 Q HA -0.001 4.339 4.340 0.001 0.000 0.202 389 Q C 2.105 178.088 176.000 -0.028 0.000 0.963 389 Q CA 1.331 57.115 55.803 -0.031 0.000 0.866 389 Q CB -0.210 28.517 28.738 -0.019 0.000 0.931 389 Q HN 0.536 nan 8.270 nan 0.000 0.452 390 L N -0.808 120.402 121.223 -0.021 0.000 2.109 390 L HA -0.114 4.227 4.340 0.001 0.000 0.207 390 L C 1.912 178.768 176.870 -0.023 0.000 1.086 390 L CA 0.390 55.221 54.840 -0.016 0.000 0.760 390 L CB -0.377 41.678 42.059 -0.007 0.000 0.910 390 L HN 0.256 nan 8.230 nan 0.000 0.437 391 L N 0.180 121.385 121.223 -0.031 0.000 2.131 391 L HA -0.179 4.162 4.340 0.001 0.000 0.210 391 L C 2.401 179.231 176.870 -0.066 0.000 1.092 391 L CA 1.779 56.594 54.840 -0.041 0.000 0.759 391 L CB -0.444 41.586 42.059 -0.048 0.000 0.903 391 L HN 0.100 nan 8.230 nan 0.000 0.435 392 K N -0.943 119.414 120.400 -0.071 0.000 2.217 392 K HA -0.080 4.240 4.320 0.001 0.000 0.202 392 K C 1.854 178.413 176.600 -0.069 0.000 1.051 392 K CA 0.786 57.022 56.287 -0.086 0.000 0.952 392 K CB 0.008 32.464 32.500 -0.075 0.000 0.736 392 K HN 0.311 nan 8.250 nan 0.000 0.453 393 E N 1.082 121.255 120.200 -0.045 0.000 2.015 393 E HA -0.158 4.192 4.350 0.001 0.000 0.191 393 E C 2.166 178.750 176.600 -0.026 0.000 0.991 393 E CA 1.291 57.673 56.400 -0.029 0.000 0.802 393 E CB -0.399 29.291 29.700 -0.017 0.000 0.759 393 E HN 0.263 nan 8.360 nan 0.000 0.447 394 A N 1.476 124.282 122.820 -0.023 0.000 1.883 394 A HA -0.121 4.199 4.320 0.001 0.000 0.217 394 A C 1.712 179.290 177.584 -0.010 0.000 1.186 394 A CA 1.074 53.106 52.037 -0.008 0.000 0.624 394 A CB -0.518 18.481 19.000 -0.001 0.000 0.822 394 A HN 0.183 nan 8.150 nan 0.000 0.444 395 L N 0.714 121.891 121.223 -0.075 0.000 2.589 395 L HA 0.220 4.561 4.340 0.001 0.000 0.244 395 L C -1.633 175.049 176.870 -0.312 0.000 1.159 395 L CA -1.341 53.374 54.840 -0.208 0.000 1.074 395 L CB 0.892 42.769 42.059 -0.304 0.000 1.391 395 L HN 0.245 nan 8.230 nan 0.000 0.423 396 P HA -0.184 nan 4.420 nan 0.000 0.222 396 P C 1.022 178.263 177.300 -0.099 0.000 1.147 396 P CA 1.392 64.439 63.100 -0.089 0.000 0.790 396 P CB 0.034 31.729 31.700 -0.009 0.000 0.780 397 H N -1.693 117.359 119.070 -0.030 0.000 2.462 397 H HA 0.161 4.718 4.556 0.001 0.000 0.292 397 H C 1.297 176.600 175.328 -0.042 0.000 1.049 397 H CA -0.032 55.996 56.048 -0.034 0.000 1.334 397 H CB -1.154 28.585 29.762 -0.039 0.000 1.404 397 H HN 0.059 nan 8.280 nan 0.000 0.544 398 L N 0.250 121.127 121.223 -0.575 0.000 2.479 398 L HA 0.253 4.593 4.340 0.001 0.000 0.249 398 L C -0.112 176.655 176.870 -0.172 0.000 1.178 398 L CA -0.674 53.974 54.840 -0.321 0.000 0.811 398 L CB 0.756 42.581 42.059 -0.391 0.000 1.187 398 L HN 0.218 nan 8.230 nan 0.000 0.480 399 Q N 1.185 120.915 119.800 -0.118 0.000 2.490 399 Q HA 0.476 4.817 4.340 0.001 0.000 0.255 399 Q C -1.218 174.724 176.000 -0.097 0.000 0.997 399 Q CA 0.067 55.827 55.803 -0.073 0.000 0.709 399 Q CB 0.988 29.717 28.738 -0.014 0.000 1.255 399 Q HN 0.339 nan 8.270 nan 0.000 0.486 400 I N 2.280 122.771 120.570 -0.131 0.000 2.440 400 I HA 0.284 4.455 4.170 0.001 0.000 0.294 400 I C 0.244 176.214 176.117 -0.246 0.000 0.995 400 I CA -0.869 60.318 61.300 -0.187 0.000 1.306 400 I CB 1.137 39.023 38.000 -0.191 0.000 1.407 400 I HN 0.599 nan 8.210 nan 0.000 0.501 401 N N 3.157 121.600 118.700 -0.428 0.000 2.702 401 N HA -0.204 4.537 4.740 0.001 0.000 0.255 401 N C 0.920 176.316 175.510 -0.190 0.000 0.983 401 N CA 1.075 53.640 53.050 -0.808 0.000 0.768 401 N CB -0.998 36.746 38.487 -1.239 0.000 0.918 401 N HN 0.944 nan 8.380 nan 0.000 0.540 402 C N -2.627 116.657 119.300 -0.027 0.000 2.590 402 C HA 0.315 4.776 4.460 0.001 0.000 0.272 402 C C 1.218 176.304 174.990 0.161 0.000 1.338 402 C CA 0.313 59.376 59.018 0.075 0.000 1.746 402 C CB -0.578 27.189 27.740 0.043 0.000 2.020 402 C HN 0.554 nan 8.230 nan 0.000 0.531 403 S N -0.937 114.870 115.700 0.179 0.000 2.536 403 S HA 0.578 5.048 4.470 0.001 0.000 0.287 403 S C -0.512 174.081 174.600 -0.012 0.000 1.101 403 S CA -0.365 57.925 58.200 0.150 0.000 0.950 403 S CB 0.910 64.190 63.200 0.133 0.000 1.056 403 S HN 0.459 nan 8.310 nan 0.000 0.481 404 H N 0.809 119.764 119.070 -0.192 0.000 2.553 404 H HA 0.447 5.003 4.556 0.001 0.000 0.276 404 H C -0.683 174.155 175.328 -0.817 0.000 0.979 404 H CA 0.400 56.022 56.048 -0.711 0.000 1.268 404 H CB 0.211 29.337 29.762 -1.060 0.000 1.450 404 H HN 0.560 nan 8.280 nan 0.000 0.527 405 F N -0.220 119.761 119.950 0.051 0.000 2.492 405 F HA 0.320 4.848 4.527 0.001 0.000 0.327 405 F C 0.788 176.607 175.800 0.032 0.000 1.079 405 F CA -1.156 56.855 58.000 0.019 0.000 0.967 405 F CB 1.393 40.390 39.000 -0.005 0.000 1.169 405 F HN -0.237 nan 8.300 nan 0.000 0.472 406 T N 0.007 114.683 114.554 0.203 0.000 2.918 406 T HA 0.225 4.575 4.350 0.001 0.000 0.302 406 T C 1.000 175.777 174.700 0.128 0.000 1.045 406 T CA 0.261 62.450 62.100 0.148 0.000 1.114 406 T CB 0.571 69.523 68.868 0.141 0.000 0.965 406 T HN 0.871 nan 8.240 nan 0.000 0.540 407 T N 1.985 116.592 114.554 0.089 0.000 2.985 407 T HA 0.313 4.664 4.350 0.001 0.000 0.254 407 T C 1.011 175.732 174.700 0.035 0.000 1.021 407 T CA -0.282 61.845 62.100 0.046 0.000 0.957 407 T CB -0.248 68.633 68.868 0.021 0.000 1.047 407 T HN 0.616 nan 8.240 nan 0.000 0.511 408 I N 2.810 123.406 120.570 0.043 0.000 2.845 408 I HA 0.148 4.319 4.170 0.001 0.000 0.290 408 I C 1.201 177.384 176.117 0.110 0.000 1.202 408 I CA 0.685 62.013 61.300 0.045 0.000 1.406 408 I CB -0.295 37.749 38.000 0.074 0.000 1.383 408 I HN 0.535 nan 8.210 nan 0.000 0.549 409 A N 4.886 127.801 122.820 0.158 0.000 2.822 409 A HA -0.196 4.125 4.320 0.001 0.000 0.287 409 A C 0.323 178.090 177.584 0.305 0.000 1.479 409 A CA 0.581 52.797 52.037 0.298 0.000 0.779 409 A CB -1.303 17.832 19.000 0.225 0.000 1.022 409 A HN 0.656 nan 8.150 nan 0.000 0.532 410 R N -1.206 119.387 120.500 0.156 0.000 2.198 410 R HA 0.392 4.733 4.340 0.001 0.000 0.339 410 R C -1.750 174.235 176.300 -0.526 0.000 1.020 410 R CA -2.221 53.820 56.100 -0.099 0.000 0.864 410 R CB 0.476 30.724 30.300 -0.086 0.000 1.105 410 R HN 0.231 nan 8.270 nan 0.000 0.463 411 P HA -0.167 nan 4.420 nan 0.000 0.216 411 P C 0.264 176.998 177.300 -0.944 0.000 1.157 411 P CA 1.749 63.831 63.100 -1.697 0.000 0.880 411 P CB 0.311 31.366 31.700 -1.074 0.000 0.791 412 T N -3.652 110.584 114.554 -0.530 0.000 2.909 412 T HA 0.668 5.018 4.350 0.001 0.000 0.299 412 T C -0.676 173.885 174.700 -0.232 0.000 1.073 412 T CA -0.846 61.055 62.100 -0.331 0.000 0.999 412 T CB 1.463 70.172 68.868 -0.265 0.000 1.098 412 T HN -0.198 nan 8.240 nan 0.000 0.477 413 I N 2.173 122.641 120.570 -0.169 0.000 2.448 413 I HA 0.679 4.850 4.170 0.001 0.000 0.281 413 I C 0.679 176.727 176.117 -0.115 0.000 1.027 413 I CA -0.294 60.930 61.300 -0.127 0.000 1.111 413 I CB 0.942 38.895 38.000 -0.078 0.000 1.236 413 I HN 1.298 nan 8.210 nan 0.000 0.452 414 G N 5.203 113.919 108.800 -0.139 0.000 2.334 414 G HA2 -0.037 3.924 3.960 0.001 0.000 0.315 414 G HA3 -0.037 3.924 3.960 0.001 0.000 0.315 414 G C -1.933 172.890 174.900 -0.130 0.000 1.284 414 G CA -0.956 44.071 45.100 -0.122 0.000 0.985 414 G HN 0.456 nan 8.290 nan 0.000 0.504 415 N N 0.478 119.115 118.700 -0.105 0.000 2.238 415 N HA 0.557 5.298 4.740 0.001 0.000 0.302 415 N C 0.544 176.008 175.510 -0.077 0.000 1.072 415 N CA -0.099 52.893 53.050 -0.098 0.000 0.792 415 N CB 2.161 40.591 38.487 -0.095 0.000 1.425 415 N HN 1.137 nan 8.380 nan 0.000 0.478 416 K N -0.087 120.270 120.400 -0.072 0.000 3.547 416 K HA -0.172 4.148 4.320 0.001 0.000 0.309 416 K C -0.504 176.060 176.600 -0.061 0.000 1.324 416 K CA 1.372 57.623 56.287 -0.059 0.000 0.988 416 K CB -0.355 32.115 32.500 -0.050 0.000 1.261 416 K HN 0.443 nan 8.250 nan 0.000 0.444 417 K N 0.913 121.270 120.400 -0.072 0.000 2.646 417 K HA 0.121 4.441 4.320 0.001 0.000 0.206 417 K C 0.181 176.728 176.600 -0.088 0.000 1.069 417 K CA 0.276 56.519 56.287 -0.072 0.000 1.067 417 K CB -0.201 32.257 32.500 -0.070 0.000 0.807 417 K HN 0.597 nan 8.250 nan 0.000 0.482 418 N N 0.373 119.019 118.700 -0.091 0.000 2.229 418 N HA -0.130 4.610 4.740 0.001 0.000 0.242 418 N C 0.262 175.714 175.510 -0.097 0.000 1.327 418 N CA -0.442 52.545 53.050 -0.104 0.000 0.896 418 N CB 0.262 38.693 38.487 -0.093 0.000 1.129 418 N HN 0.106 nan 8.380 nan 0.000 0.490 419 Q N -0.950 118.788 119.800 -0.105 0.000 2.435 419 Q HA -0.284 4.057 4.340 0.001 0.000 0.286 419 Q C -0.567 175.386 176.000 -0.080 0.000 1.229 419 Q CA 1.344 57.094 55.803 -0.088 0.000 0.884 419 Q CB -1.152 27.545 28.738 -0.069 0.000 1.245 419 Q HN 0.819 nan 8.270 nan 0.000 0.488 420 E N 0.328 120.469 120.200 -0.098 0.000 2.995 420 E HA 0.220 4.571 4.350 0.001 0.000 0.203 420 E C 0.187 176.726 176.600 -0.101 0.000 0.980 420 E CA -0.355 55.998 56.400 -0.079 0.000 1.172 420 E CB 0.198 29.854 29.700 -0.074 0.000 1.088 420 E HN 0.549 nan 8.360 nan 0.000 0.463 421 I N 2.181 122.679 120.570 -0.120 0.000 3.311 421 I HA -0.237 3.933 4.170 0.001 0.000 0.304 421 I C -0.245 175.890 176.117 0.029 0.000 1.245 421 I CA 0.765 61.971 61.300 -0.157 0.000 1.369 421 I CB -0.117 37.849 38.000 -0.056 0.000 1.433 421 I HN 0.577 nan 8.210 nan 0.000 0.525 422 W N 6.645 127.924 121.300 -0.036 0.000 6.351 422 W HA -0.255 4.406 4.660 0.001 0.000 0.403 422 W C 1.310 177.793 176.519 -0.061 0.000 1.540 422 W CA 0.946 58.273 57.345 -0.030 0.000 1.055 422 W CB -2.104 27.363 29.460 0.012 0.000 2.721 422 W HN 1.056 nan 8.180 nan 0.000 1.542 423 G N -1.355 107.490 108.800 0.075 0.000 2.253 423 G HA2 -0.339 3.622 3.960 0.001 0.000 0.251 423 G HA3 -0.339 3.622 3.960 0.001 0.000 0.251 423 G C 0.030 174.927 174.900 -0.005 0.000 0.998 423 G CA 0.143 45.260 45.100 0.029 0.000 0.621 423 G HN 0.222 nan 8.290 nan 0.000 0.524 424 I N 1.965 122.527 120.570 -0.014 0.000 2.436 424 I HA 0.277 4.448 4.170 0.001 0.000 0.289 424 I C 0.737 176.832 176.117 -0.036 0.000 1.083 424 I CA 0.057 61.333 61.300 -0.040 0.000 1.372 424 I CB 1.228 39.188 38.000 -0.067 0.000 1.408 424 I HN 0.051 nan 8.210 nan 0.000 0.516 425 K N 5.930 126.309 120.400 -0.036 0.000 2.150 425 K HA 0.254 4.575 4.320 0.001 0.000 0.261 425 K C -0.547 176.031 176.600 -0.037 0.000 1.127 425 K CA -0.447 55.816 56.287 -0.038 0.000 0.989 425 K CB 0.054 32.532 32.500 -0.037 0.000 1.475 425 K HN 0.587 nan 8.250 nan 0.000 0.391 426 C N 2.458 121.738 119.300 -0.033 0.000 2.298 426 C HA -0.049 4.412 4.460 0.001 0.000 0.395 426 C C 2.124 177.087 174.990 -0.045 0.000 1.526 426 C CA -0.110 58.893 59.018 -0.026 0.000 1.458 426 C CB -0.630 27.102 27.740 -0.014 0.000 2.506 426 C HN 0.825 nan 8.230 nan 0.000 0.604 427 R N 1.813 122.278 120.500 -0.059 0.000 2.153 427 R HA 0.108 4.448 4.340 0.001 0.000 0.218 427 R C 0.106 176.334 176.300 -0.120 0.000 1.072 427 R CA 0.949 56.998 56.100 -0.086 0.000 0.990 427 R CB 0.078 30.320 30.300 -0.095 0.000 0.889 427 R HN 0.719 nan 8.270 nan 0.000 0.452 428 L N 1.725 122.869 121.223 -0.132 0.000 2.287 428 L HA 0.293 4.634 4.340 0.001 0.000 0.287 428 L C 0.148 176.971 176.870 -0.079 0.000 1.022 428 L CA -0.470 54.270 54.840 -0.167 0.000 0.814 428 L CB 1.831 43.706 42.059 -0.306 0.000 1.217 428 L HN 0.089 nan 8.230 nan 0.000 0.420 429 T N -0.193 114.320 114.554 -0.067 0.000 2.696 429 T HA 0.564 4.915 4.350 0.001 0.000 0.291 429 T C 0.071 174.756 174.700 -0.025 0.000 1.095 429 T CA -0.719 61.361 62.100 -0.033 0.000 1.026 429 T CB 1.575 70.420 68.868 -0.038 0.000 1.390 429 T HN 0.402 nan 8.240 nan 0.000 0.513 430 L N 0.148 121.363 121.223 -0.012 0.000 3.135 430 L HA 0.289 4.629 4.340 0.001 0.000 0.279 430 L C 1.256 178.118 176.870 -0.013 0.000 1.200 430 L CA -0.445 54.392 54.840 -0.006 0.000 1.016 430 L CB 0.310 42.377 42.059 0.013 0.000 1.391 430 L HN 0.694 nan 8.230 nan 0.000 0.588 431 Q N 0.000 119.787 119.800 -0.021 0.000 2.315 431 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 431 Q CA 0.000 55.788 55.803 -0.024 0.000 1.022 431 Q CB 0.000 28.719 28.738 -0.032 0.000 1.108 431 Q HN 0.000 nan 8.270 nan 0.000 0.481