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 1yj5_1_A DATA FIRST_RESID 144 DATA SEQUENCE LGWESLKKLL VFTASGVKPQ GKVAAFDLDG TLITTRSGKV FPTSPSDWRI DATA SEQUENCE LYPEIPKKLQ ELAAEGYKLV IFTNQXGIGR GKLPAEVFKG KVEAVLEKLG DATA SEQUENCE VPFQVLVATH AGLNRKPVSG XWDHLQEQAN EGIPISVEDS VFVGDAAGRL DATA SEQUENCE ANWAPGRKKK DFSCADRLFA LNVGLPFATP EEFFLKWPAA RFELPAFDPR DATA SEQUENCE TISSAGPLYL PESSSLLSPN PEVVVAVGFP GAGKSTFIQE HLVSAGYVHV DATA SEQUENCE NRDTLGSWQR CVSSCQAALR QGKRVVIDNT NPDVPSRARY IQCAKDAGVP DATA SEQUENCE CRCFNFCATI EQARHNNRFR EXTDPSHAPV SDXVXFSYRK QFEPPTLAEG DATA SEQUENCE FLEILEIPFR LQEHLDPALQ RLYRQFSEG 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 144 L HA 0.000 nan 4.340 nan 0.000 0.249 144 L C 0.000 176.816 176.870 -0.090 0.000 1.165 144 L CA 0.000 54.806 54.840 -0.057 0.000 0.813 144 L CB 0.000 42.004 42.059 -0.091 0.000 0.961 145 G N -0.659 108.111 108.800 -0.049 0.000 3.009 145 G HA2 0.275 4.235 3.960 -0.000 0.000 0.183 145 G HA3 0.275 4.235 3.960 -0.000 0.000 0.183 145 G C -1.504 173.395 174.900 -0.002 0.000 1.613 145 G CA -0.174 44.905 45.100 -0.034 0.000 0.910 145 G HN 0.362 nan 8.290 nan 0.000 0.785 146 W N 1.452 122.900 121.300 0.246 0.000 2.448 146 W HA 0.717 5.377 4.660 -0.000 0.000 0.339 146 W C -0.098 176.498 176.519 0.129 0.000 1.124 146 W CA -0.220 57.272 57.345 0.245 0.000 1.262 146 W CB 1.506 31.084 29.460 0.196 0.000 1.251 146 W HN 0.153 nan 8.180 nan 0.000 0.597 147 E N 1.077 121.534 120.200 0.429 0.000 2.263 147 E HA 0.309 4.659 4.350 -0.000 0.000 0.268 147 E C -1.244 175.501 176.600 0.243 0.000 0.884 147 E CA -0.643 55.911 56.400 0.257 0.000 0.766 147 E CB 2.009 31.814 29.700 0.175 0.000 1.196 147 E HN 0.109 nan 8.360 nan 0.000 0.416 148 S N 3.372 119.171 115.700 0.165 0.000 2.422 148 S HA 0.486 4.956 4.470 -0.000 0.000 0.308 148 S C -0.344 174.306 174.600 0.084 0.000 1.097 148 S CA -0.472 57.799 58.200 0.119 0.000 1.099 148 S CB 0.328 63.579 63.200 0.085 0.000 0.976 148 S HN 0.330 nan 8.310 nan 0.000 0.471 149 L N 1.896 123.158 121.223 0.064 0.000 2.171 149 L HA 0.589 4.929 4.340 -0.000 0.000 0.253 149 L C 0.049 176.925 176.870 0.010 0.000 1.054 149 L CA -1.400 53.461 54.840 0.036 0.000 0.927 149 L CB 0.632 42.701 42.059 0.015 0.000 1.513 149 L HN 0.397 nan 8.230 nan 0.000 0.471 150 K N 1.438 121.836 120.400 -0.003 0.000 2.315 150 K HA 0.006 4.326 4.320 -0.000 0.000 0.281 150 K C -0.365 176.210 176.600 -0.043 0.000 1.086 150 K CA 0.200 56.469 56.287 -0.031 0.000 1.042 150 K CB -0.122 32.367 32.500 -0.018 0.000 0.949 150 K HN 0.540 nan 8.250 nan 0.000 0.450 151 K N 0.723 121.076 120.400 -0.078 0.000 3.035 151 K HA -0.225 4.095 4.320 -0.000 0.000 0.262 151 K C -0.507 176.141 176.600 0.079 0.000 1.024 151 K CA 0.804 57.081 56.287 -0.016 0.000 0.748 151 K CB -1.251 31.212 32.500 -0.060 0.000 1.247 151 K HN 0.605 nan 8.250 nan 0.000 0.482 152 L N 0.085 121.343 121.223 0.058 0.000 2.549 152 L HA 0.485 4.825 4.340 -0.000 0.000 0.259 152 L C -1.598 175.317 176.870 0.075 0.000 0.934 152 L CA -0.571 54.292 54.840 0.039 0.000 0.865 152 L CB 1.808 43.823 42.059 -0.072 0.000 1.352 152 L HN 0.099 nan 8.230 nan 0.000 0.410 153 L N 4.848 126.153 121.223 0.137 0.000 2.346 153 L HA 0.811 5.151 4.340 -0.000 0.000 0.276 153 L C -1.060 175.981 176.870 0.285 0.000 1.006 153 L CA -1.009 53.984 54.840 0.255 0.000 0.817 153 L CB 2.093 44.355 42.059 0.337 0.000 1.272 153 L HN 0.334 nan 8.230 nan 0.000 0.421 154 V N 3.155 123.252 119.914 0.305 0.000 2.525 154 V HA 0.368 4.488 4.120 -0.000 0.000 0.299 154 V C -0.948 175.185 176.094 0.064 0.000 1.034 154 V CA -0.510 61.892 62.300 0.170 0.000 0.863 154 V CB 1.996 33.891 31.823 0.120 0.000 0.999 154 V HN 0.432 nan 8.190 nan 0.000 0.423 155 F N 3.732 123.417 119.950 -0.442 0.000 2.436 155 F HA 0.750 5.277 4.527 -0.000 0.000 0.340 155 F C 0.232 175.754 175.800 -0.463 0.000 1.113 155 F CA -0.144 57.311 58.000 -0.908 0.000 1.022 155 F CB 1.912 39.820 39.000 -1.819 0.000 1.128 155 F HN 0.456 nan 8.300 nan 0.000 0.466 156 T N 6.127 119.970 114.554 -1.185 0.000 2.847 156 T HA 0.719 5.069 4.350 -0.000 0.000 0.291 156 T C -0.149 173.841 174.700 -1.183 0.000 0.998 156 T CA -0.516 61.056 62.100 -0.880 0.000 0.967 156 T CB 1.064 69.669 68.868 -0.437 0.000 0.954 156 T HN 0.799 nan 8.240 nan 0.000 0.441 157 A N 2.761 125.022 122.820 -0.931 0.000 2.272 157 A HA 0.718 5.038 4.320 -0.000 0.000 0.275 157 A C 0.596 178.016 177.584 -0.273 0.000 1.096 157 A CA -0.660 51.039 52.037 -0.563 0.000 0.822 157 A CB 0.234 19.137 19.000 -0.162 0.000 1.088 157 A HN 0.696 nan 8.150 nan 0.000 0.495 158 S N -0.481 115.139 115.700 -0.134 0.000 2.533 158 S HA 0.438 4.908 4.470 -0.000 0.000 0.282 158 S C 1.189 175.748 174.600 -0.068 0.000 1.304 158 S CA 0.751 58.902 58.200 -0.082 0.000 1.063 158 S CB 0.598 63.779 63.200 -0.032 0.000 0.881 158 S HN 2.128 nan 8.310 nan 0.000 0.493 159 G N 1.644 110.403 108.800 -0.069 0.000 2.176 159 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 159 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 159 G C 0.044 174.901 174.900 -0.071 0.000 0.986 159 G CA -0.275 44.791 45.100 -0.057 0.000 0.643 159 G HN 0.703 nan 8.290 nan 0.000 0.522 160 V N 2.032 121.887 119.914 -0.098 0.000 2.446 160 V HA 0.353 4.473 4.120 -0.000 0.000 0.276 160 V C 0.605 176.647 176.094 -0.086 0.000 1.030 160 V CA 0.450 62.687 62.300 -0.105 0.000 1.033 160 V CB 0.932 32.669 31.823 -0.143 0.000 0.993 160 V HN 0.321 nan 8.190 nan 0.000 0.477 161 K N 7.278 127.635 120.400 -0.071 0.000 2.270 161 K HA 0.494 4.814 4.320 -0.000 0.000 0.255 161 K C -2.624 173.942 176.600 -0.057 0.000 0.936 161 K CA -1.806 54.446 56.287 -0.059 0.000 0.809 161 K CB 2.103 34.575 32.500 -0.046 0.000 1.131 161 K HN 0.363 nan 8.250 nan 0.000 0.427 162 P HA 0.029 nan 4.420 nan 0.000 0.271 162 P C -0.920 176.353 177.300 -0.045 0.000 1.216 162 P CA -0.087 62.979 63.100 -0.057 0.000 0.776 162 P CB 0.940 32.603 31.700 -0.061 0.000 0.881 163 Q N 0.816 120.592 119.800 -0.039 0.000 2.544 163 Q HA 0.426 4.766 4.340 -0.000 0.000 0.291 163 Q C 1.093 177.079 176.000 -0.024 0.000 1.068 163 Q CA -0.743 55.040 55.803 -0.033 0.000 0.785 163 Q CB 1.482 30.202 28.738 -0.030 0.000 1.481 163 Q HN 0.558 nan 8.270 nan 0.000 0.430 164 G N 0.109 108.893 108.800 -0.027 0.000 3.042 164 G HA2 0.084 4.044 3.960 -0.000 0.000 0.212 164 G HA3 0.084 4.044 3.960 -0.000 0.000 0.212 164 G C 0.166 175.074 174.900 0.013 0.000 1.166 164 G CA 0.228 45.324 45.100 -0.007 0.000 0.767 164 G HN 0.185 nan 8.290 nan 0.000 0.546 165 K N -0.428 119.969 120.400 -0.006 0.000 2.375 165 K HA 0.655 4.975 4.320 -0.000 0.000 0.249 165 K C -1.429 175.260 176.600 0.148 0.000 0.942 165 K CA -0.629 55.674 56.287 0.027 0.000 0.806 165 K CB 3.382 35.743 32.500 -0.231 0.000 1.227 165 K HN -0.122 nan 8.250 nan 0.000 0.430 166 V N 1.556 121.653 119.914 0.305 0.000 2.577 166 V HA 0.503 4.622 4.120 -0.000 0.000 0.303 166 V C -0.986 175.337 176.094 0.382 0.000 1.042 166 V CA -0.965 61.546 62.300 0.350 0.000 0.872 166 V CB 1.741 33.816 31.823 0.421 0.000 0.998 166 V HN 0.898 nan 8.190 nan 0.000 0.423 167 A N 4.111 127.113 122.820 0.302 0.000 2.366 167 A HA 0.853 5.173 4.320 -0.000 0.000 0.322 167 A C 0.300 177.874 177.584 -0.018 0.000 1.397 167 A CA -0.037 52.023 52.037 0.039 0.000 0.984 167 A CB 0.344 19.350 19.000 0.010 0.000 1.149 167 A HN 1.248 nan 8.150 nan 0.000 0.540 168 A N 2.300 125.063 122.820 -0.095 0.000 2.312 168 A HA 0.901 5.221 4.320 -0.000 0.000 0.328 168 A C -0.853 176.578 177.584 -0.255 0.000 1.158 168 A CA -0.337 51.817 52.037 0.194 0.000 0.821 168 A CB 0.476 19.962 19.000 0.809 0.000 1.170 168 A HN 0.690 nan 8.150 nan 0.000 0.490 169 F N 0.183 120.316 119.950 0.305 0.000 2.588 169 F HA 0.364 4.891 4.527 -0.000 0.000 0.310 169 F C 0.028 175.883 175.800 0.092 0.000 1.082 169 F CA -0.593 57.412 58.000 0.009 0.000 0.929 169 F CB 1.978 41.019 39.000 0.068 0.000 1.254 169 F HN 0.623 nan 8.300 nan 0.000 0.455 170 D N 1.470 121.897 120.400 0.045 0.000 2.344 170 D HA 0.220 4.860 4.640 -0.000 0.000 0.244 170 D C 0.390 176.748 176.300 0.097 0.000 1.134 170 D CA 0.016 54.092 54.000 0.128 0.000 0.930 170 D CB 1.279 42.099 40.800 0.034 0.000 1.175 170 D HN 0.508 nan 8.370 nan 0.000 0.437 171 L N 0.836 122.100 121.223 0.068 0.000 2.228 171 L HA 0.099 4.439 4.340 -0.000 0.000 0.196 171 L C 0.094 176.947 176.870 -0.027 0.000 1.162 171 L CA 0.243 55.077 54.840 -0.009 0.000 0.801 171 L CB -0.059 42.005 42.059 0.009 0.000 0.983 171 L HN 0.417 nan 8.230 nan 0.000 0.471 172 D N 0.552 120.950 120.400 -0.002 0.000 2.382 172 D HA 0.209 4.849 4.640 -0.000 0.000 0.259 172 D C 0.741 177.035 176.300 -0.010 0.000 1.224 172 D CA 1.065 55.056 54.000 -0.015 0.000 0.894 172 D CB 1.027 41.822 40.800 -0.009 0.000 1.127 172 D HN 0.641 nan 8.370 nan 0.000 0.487 173 G N 2.361 111.142 108.800 -0.032 0.000 2.175 173 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 173 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 173 G C 0.929 175.804 174.900 -0.042 0.000 0.982 173 G CA 0.563 45.646 45.100 -0.027 0.000 0.641 173 G HN 0.544 nan 8.290 nan 0.000 0.527 174 T N -0.821 113.705 114.554 -0.047 0.000 3.313 174 T HA 0.344 4.694 4.350 -0.000 0.000 0.266 174 T C 2.133 176.814 174.700 -0.033 0.000 0.987 174 T CA 0.806 62.910 62.100 0.006 0.000 1.086 174 T CB 0.101 68.998 68.868 0.048 0.000 1.159 174 T HN 0.121 nan 8.240 nan 0.000 0.450 175 L N 0.875 122.039 121.223 -0.098 0.000 2.388 175 L HA 0.517 4.857 4.340 -0.000 0.000 0.209 175 L C 0.618 177.354 176.870 -0.223 0.000 1.061 175 L CA 0.286 55.001 54.840 -0.208 0.000 0.834 175 L CB 0.271 42.179 42.059 -0.251 0.000 1.029 175 L HN 0.325 nan 8.230 nan 0.000 0.473 176 I N -4.626 115.845 120.570 -0.164 0.000 3.067 176 I HA 0.672 4.842 4.170 -0.000 0.000 0.312 176 I C -0.376 175.690 176.117 -0.085 0.000 1.073 176 I CA -0.419 60.822 61.300 -0.097 0.000 1.016 176 I CB 2.264 40.233 38.000 -0.051 0.000 1.227 176 I HN -0.293 nan 8.210 nan 0.000 0.456 177 T N 0.411 114.942 114.554 -0.037 0.000 2.787 177 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 177 T C -0.699 174.012 174.700 0.019 0.000 1.221 177 T CA -0.290 61.791 62.100 -0.031 0.000 1.006 177 T CB 1.963 70.785 68.868 -0.077 0.000 1.328 177 T HN 0.798 nan 8.240 nan 0.000 0.509 178 T N 2.336 116.896 114.554 0.010 0.000 2.901 178 T HA 0.246 4.596 4.350 -0.000 0.000 0.301 178 T C 1.558 176.255 174.700 -0.005 0.000 1.012 178 T CA -0.184 61.925 62.100 0.017 0.000 1.135 178 T CB 0.669 69.545 68.868 0.014 0.000 0.936 178 T HN 0.449 nan 8.240 nan 0.000 0.539 179 R N 1.608 122.094 120.500 -0.023 0.000 2.092 179 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 179 R C 2.522 178.804 176.300 -0.029 0.000 1.119 179 R CA 1.481 57.551 56.100 -0.051 0.000 0.970 179 R CB -0.164 30.079 30.300 -0.096 0.000 0.864 179 R HN 0.680 nan 8.270 nan 0.000 0.440 180 S N -0.959 114.733 115.700 -0.014 0.000 2.562 180 S HA 0.111 4.581 4.470 -0.000 0.000 0.221 180 S C 1.473 176.080 174.600 0.011 0.000 0.975 180 S CA 0.451 58.651 58.200 -0.001 0.000 0.918 180 S CB 0.640 63.845 63.200 0.008 0.000 0.772 180 S HN 0.527 nan 8.310 nan 0.000 0.531 181 G N 1.083 109.891 108.800 0.013 0.000 2.225 181 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 181 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 181 G C 0.072 174.993 174.900 0.035 0.000 0.988 181 G CA 0.263 45.376 45.100 0.022 0.000 0.625 181 G HN 0.586 nan 8.290 nan 0.000 0.527 182 K N 0.066 120.491 120.400 0.042 0.000 2.168 182 K HA 0.522 4.842 4.320 -0.000 0.000 0.258 182 K C 1.620 178.262 176.600 0.071 0.000 1.010 182 K CA -0.137 56.187 56.287 0.062 0.000 0.929 182 K CB 1.566 34.112 32.500 0.076 0.000 0.998 182 K HN -0.017 nan 8.250 nan 0.000 0.479 183 V N 1.101 121.072 119.914 0.095 0.000 2.283 183 V HA -0.126 3.994 4.120 -0.000 0.000 0.243 183 V C 0.762 176.929 176.094 0.123 0.000 1.039 183 V CA 1.177 63.538 62.300 0.102 0.000 1.016 183 V CB -0.258 31.634 31.823 0.115 0.000 0.650 183 V HN 0.536 nan 8.190 nan 0.000 0.449 184 F N 2.251 122.216 119.950 0.025 0.000 2.420 184 F HA 0.426 4.953 4.527 -0.000 0.000 0.352 184 F C -2.115 173.703 175.800 0.030 0.000 1.108 184 F CA -3.018 54.997 58.000 0.024 0.000 1.162 184 F CB 0.672 39.681 39.000 0.016 0.000 1.118 184 F HN 0.035 nan 8.300 nan 0.000 0.510 185 P HA 0.038 nan 4.420 nan 0.000 0.268 185 P C 0.507 177.840 177.300 0.056 0.000 1.204 185 P CA 0.164 63.203 63.100 -0.101 0.000 0.768 185 P CB 0.640 32.226 31.700 -0.189 0.000 0.842 186 T N -1.313 113.291 114.554 0.083 0.000 3.023 186 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 186 T C 0.698 175.452 174.700 0.091 0.000 1.093 186 T CA 0.762 62.928 62.100 0.109 0.000 1.129 186 T CB -0.277 68.633 68.868 0.070 0.000 0.899 186 T HN 0.560 nan 8.240 nan 0.000 0.491 187 S N 0.127 115.867 115.700 0.066 0.000 2.643 187 S HA 0.552 5.022 4.470 -0.000 0.000 0.270 187 S C -2.970 171.673 174.600 0.071 0.000 1.166 187 S CA -1.155 57.082 58.200 0.062 0.000 0.815 187 S CB 1.293 64.519 63.200 0.043 0.000 1.139 187 S HN -0.048 nan 8.310 nan 0.000 0.472 188 P HA 0.154 nan 4.420 nan 0.000 0.245 188 P C 0.758 178.185 177.300 0.212 0.000 1.212 188 P CA 0.571 63.735 63.100 0.105 0.000 0.774 188 P CB -0.076 31.664 31.700 0.067 0.000 0.999 189 S N -2.624 113.167 115.700 0.152 0.000 2.593 189 S HA 0.118 4.588 4.470 -0.000 0.000 0.236 189 S C 0.636 175.201 174.600 -0.058 0.000 0.991 189 S CA -0.347 57.907 58.200 0.091 0.000 0.963 189 S CB -0.602 62.587 63.200 -0.018 0.000 0.865 189 S HN -0.145 nan 8.310 nan 0.000 0.488 190 D N 3.388 123.829 120.400 0.067 0.000 2.713 190 D HA 0.206 4.846 4.640 -0.000 0.000 0.229 190 D C -0.373 175.993 176.300 0.111 0.000 1.136 190 D CA -0.342 53.669 54.000 0.018 0.000 1.010 190 D CB -0.366 40.453 40.800 0.031 0.000 1.084 190 D HN 0.624 nan 8.370 nan 0.000 0.495 191 W N 1.712 122.969 121.300 -0.071 0.000 3.213 191 W HA 0.555 5.215 4.660 -0.000 0.000 0.318 191 W C -1.303 175.163 176.519 -0.088 0.000 1.248 191 W CA -1.094 56.199 57.345 -0.087 0.000 1.187 191 W CB 0.422 29.821 29.460 -0.101 0.000 1.403 191 W HN 0.094 nan 8.180 nan 0.000 0.556 192 R N 1.291 121.872 120.500 0.135 0.000 2.680 192 R HA 0.641 4.981 4.340 -0.000 0.000 0.269 192 R C -1.560 174.815 176.300 0.125 0.000 1.026 192 R CA -1.052 55.049 56.100 0.001 0.000 0.889 192 R CB 1.683 31.909 30.300 -0.124 0.000 1.241 192 R HN 0.249 nan 8.270 nan 0.000 0.463 193 I N 2.830 123.452 120.570 0.086 0.000 2.668 193 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 193 I C 1.428 177.464 176.117 -0.135 0.000 1.168 193 I CA -0.093 61.195 61.300 -0.020 0.000 1.424 193 I CB 0.795 38.779 38.000 -0.027 0.000 1.377 193 I HN 0.718 nan 8.210 nan 0.000 0.560 194 L N 8.791 129.855 121.223 -0.264 0.000 1.956 194 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 194 L C -0.004 176.575 176.870 -0.486 0.000 1.073 194 L CA 1.840 56.398 54.840 -0.471 0.000 0.762 194 L CB -0.479 41.142 42.059 -0.730 0.000 0.889 194 L HN 0.491 nan 8.230 nan 0.000 0.433 195 Y N -1.714 118.469 120.300 -0.195 0.000 2.468 195 Y HA 0.346 4.896 4.550 -0.000 0.000 0.342 195 Y C -1.518 174.283 175.900 -0.165 0.000 1.021 195 Y CA -2.295 55.703 58.100 -0.169 0.000 1.079 195 Y CB 0.642 38.986 38.460 -0.193 0.000 1.226 195 Y HN -0.064 nan 8.280 nan 0.000 0.460 196 P HA -0.130 nan 4.420 nan 0.000 0.221 196 P C 0.479 177.779 177.300 0.001 0.000 1.145 196 P CA 1.332 64.440 63.100 0.014 0.000 0.795 196 P CB 0.333 32.049 31.700 0.025 0.000 0.775 197 E N -1.218 118.990 120.200 0.013 0.000 2.358 197 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 197 E C 1.818 178.412 176.600 -0.010 0.000 1.010 197 E CA 0.319 56.731 56.400 0.020 0.000 0.856 197 E CB -0.608 29.124 29.700 0.053 0.000 0.795 197 E HN 0.261 nan 8.360 nan 0.000 0.504 198 I N 1.087 121.544 120.570 -0.188 0.000 2.113 198 I HA -0.195 3.975 4.170 -0.000 0.000 0.238 198 I C -0.779 175.286 176.117 -0.087 0.000 1.070 198 I CA 1.122 62.180 61.300 -0.403 0.000 1.332 198 I CB -1.184 36.377 38.000 -0.732 0.000 1.044 198 I HN 0.099 nan 8.210 nan 0.000 0.402 199 P HA -0.200 nan 4.420 nan 0.000 0.216 199 P C 1.564 178.890 177.300 0.043 0.000 1.150 199 P CA 1.344 64.447 63.100 0.005 0.000 0.837 199 P CB -0.113 31.587 31.700 0.001 0.000 0.786 200 K N 0.257 120.683 120.400 0.042 0.000 2.097 200 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 200 K C 2.008 178.656 176.600 0.080 0.000 1.049 200 K CA 1.469 57.787 56.287 0.052 0.000 0.933 200 K CB -0.358 32.167 32.500 0.041 0.000 0.717 200 K HN -0.113 nan 8.250 nan 0.000 0.442 201 K N 1.148 121.628 120.400 0.134 0.000 2.097 201 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 201 K C 2.104 178.815 176.600 0.185 0.000 1.050 201 K CA 1.042 57.437 56.287 0.180 0.000 0.938 201 K CB -0.258 32.461 32.500 0.365 0.000 0.718 201 K HN 0.126 nan 8.250 nan 0.000 0.442 202 L N 0.311 121.649 121.223 0.191 0.000 2.141 202 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 202 L C 2.485 179.398 176.870 0.071 0.000 1.094 202 L CA 1.224 56.143 54.840 0.132 0.000 0.763 202 L CB -0.427 41.689 42.059 0.096 0.000 0.908 202 L HN 0.299 nan 8.230 nan 0.000 0.437 203 Q N 0.078 119.917 119.800 0.065 0.000 2.046 203 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 203 Q C 2.102 178.137 176.000 0.058 0.000 0.975 203 Q CA 1.510 57.342 55.803 0.047 0.000 0.836 203 Q CB -0.074 28.689 28.738 0.041 0.000 0.896 203 Q HN 0.509 nan 8.270 nan 0.000 0.428 204 E N 0.481 120.720 120.200 0.066 0.000 2.110 204 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 204 E C 1.971 178.631 176.600 0.100 0.000 0.988 204 E CA 0.821 57.261 56.400 0.067 0.000 0.804 204 E CB -0.035 29.694 29.700 0.048 0.000 0.745 204 E HN 0.309 nan 8.360 nan 0.000 0.458 205 L N 0.223 121.510 121.223 0.107 0.000 2.109 205 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 205 L C 2.509 179.522 176.870 0.239 0.000 1.086 205 L CA 0.857 55.786 54.840 0.149 0.000 0.760 205 L CB -0.302 41.798 42.059 0.068 0.000 0.910 205 L HN 0.122 nan 8.230 nan 0.000 0.437 206 A N -0.030 122.865 122.820 0.125 0.000 1.898 206 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 206 A C 2.462 180.094 177.584 0.080 0.000 1.181 206 A CA 1.507 53.593 52.037 0.081 0.000 0.620 206 A CB -0.622 18.384 19.000 0.009 0.000 0.819 206 A HN 0.365 nan 8.150 nan 0.000 0.442 207 A N -0.712 122.154 122.820 0.077 0.000 2.066 207 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 207 A C 1.838 179.466 177.584 0.073 0.000 1.157 207 A CA 1.742 53.815 52.037 0.059 0.000 0.670 207 A CB -0.317 18.712 19.000 0.049 0.000 0.804 207 A HN 0.509 nan 8.150 nan 0.000 0.453 208 E N -1.308 118.972 120.200 0.133 0.000 2.285 208 E HA 0.197 4.547 4.350 -0.000 0.000 0.194 208 E C 1.148 177.773 176.600 0.042 0.000 0.997 208 E CA 0.943 57.428 56.400 0.143 0.000 0.845 208 E CB -0.045 29.852 29.700 0.329 0.000 0.782 208 E HN 0.724 nan 8.360 nan 0.000 0.491 209 G N -0.892 107.943 108.800 0.058 0.000 2.138 209 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.193 209 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.193 209 G C -0.544 174.313 174.900 -0.072 0.000 0.998 209 G CA -0.145 44.935 45.100 -0.034 0.000 0.668 209 G HN 0.161 nan 8.290 nan 0.000 0.516 210 Y N 0.718 121.036 120.300 0.030 0.000 2.335 210 Y HA 0.465 5.015 4.550 -0.000 0.000 0.331 210 Y C 0.998 176.905 175.900 0.011 0.000 1.094 210 Y CA -0.181 57.944 58.100 0.043 0.000 1.253 210 Y CB 0.973 39.481 38.460 0.081 0.000 1.203 210 Y HN 0.126 nan 8.280 nan 0.000 0.508 211 K N 4.441 124.930 120.400 0.147 0.000 2.349 211 K HA 0.280 4.600 4.320 -0.000 0.000 0.288 211 K C -1.156 175.482 176.600 0.064 0.000 1.058 211 K CA -0.234 56.087 56.287 0.057 0.000 0.953 211 K CB 0.170 32.685 32.500 0.025 0.000 0.997 211 K HN 0.680 nan 8.250 nan 0.000 0.477 212 L N 5.321 126.494 121.223 -0.082 0.000 2.281 212 L HA 0.308 4.648 4.340 -0.000 0.000 0.285 212 L C -0.658 176.155 176.870 -0.094 0.000 1.074 212 L CA -0.788 53.926 54.840 -0.210 0.000 0.817 212 L CB 1.168 42.716 42.059 -0.851 0.000 1.168 212 L HN 0.356 nan 8.230 nan 0.000 0.434 213 V N 4.931 124.987 119.914 0.237 0.000 2.709 213 V HA 0.473 4.593 4.120 -0.000 0.000 0.308 213 V C -0.118 176.145 176.094 0.283 0.000 1.062 213 V CA -0.471 61.939 62.300 0.184 0.000 0.901 213 V CB 2.613 34.389 31.823 -0.079 0.000 1.003 213 V HN 0.499 nan 8.190 nan 0.000 0.425 214 I N 3.847 124.479 120.570 0.103 0.000 2.377 214 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 214 I C -1.100 174.918 176.117 -0.164 0.000 0.987 214 I CA -0.161 61.168 61.300 0.049 0.000 1.185 214 I CB 1.411 39.394 38.000 -0.028 0.000 1.341 214 I HN 0.468 nan 8.210 nan 0.000 0.455 215 F N 4.143 124.259 119.950 0.276 0.000 2.366 215 F HA 0.348 4.875 4.527 -0.000 0.000 0.366 215 F C 0.406 176.267 175.800 0.101 0.000 1.096 215 F CA -0.579 57.507 58.000 0.144 0.000 1.060 215 F CB 1.755 40.747 39.000 -0.014 0.000 1.282 215 F HN 0.275 nan 8.300 nan 0.000 0.450 216 T N 2.702 117.401 114.554 0.241 0.000 2.841 216 T HA 0.402 4.752 4.350 -0.000 0.000 0.283 216 T C -0.572 174.182 174.700 0.089 0.000 1.000 216 T CA -0.778 61.419 62.100 0.160 0.000 0.977 216 T CB 0.620 69.597 68.868 0.181 0.000 0.979 216 T HN 0.326 nan 8.240 nan 0.000 0.446 217 N N 4.329 123.050 118.700 0.035 0.000 2.419 217 N HA 0.444 5.183 4.740 -0.000 0.000 0.264 217 N C -0.306 175.158 175.510 -0.077 0.000 1.031 217 N CA -0.376 52.666 53.050 -0.013 0.000 0.951 217 N CB 1.144 39.626 38.487 -0.008 0.000 1.101 217 N HN 0.575 nan 8.380 nan 0.000 0.488 221 I N 1.663 122.117 120.570 -0.194 0.000 2.193 221 I HA 0.038 4.208 4.170 -0.000 0.000 0.240 221 I C 2.906 178.901 176.117 -0.202 0.000 1.084 221 I CA 1.660 62.848 61.300 -0.186 0.000 1.365 221 I CB -0.272 37.604 38.000 -0.207 0.000 1.064 221 I HN 0.183 nan 8.210 nan 0.000 0.410 222 G N 0.699 109.287 108.800 -0.353 0.000 2.443 222 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 222 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 222 G C 1.775 176.503 174.900 -0.286 0.000 1.131 222 G CA 0.221 44.962 45.100 -0.598 0.000 0.775 222 G HN 0.307 nan 8.290 nan 0.000 0.547 223 R N -0.303 120.082 120.500 -0.191 0.000 2.240 223 R HA 0.188 4.528 4.340 -0.000 0.000 0.203 223 R C 1.907 178.170 176.300 -0.062 0.000 1.011 223 R CA 0.578 56.620 56.100 -0.097 0.000 1.007 223 R CB 0.106 30.361 30.300 -0.075 0.000 0.911 223 R HN 0.407 nan 8.270 nan 0.000 0.468 224 G N 1.166 109.926 108.800 -0.067 0.000 2.176 224 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.232 224 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.232 224 G C 0.784 175.666 174.900 -0.029 0.000 0.986 224 G CA 0.485 45.560 45.100 -0.040 0.000 0.643 224 G HN 0.335 nan 8.290 nan 0.000 0.522 225 K N -0.475 119.908 120.400 -0.029 0.000 1.973 225 K HA 0.163 4.483 4.320 -0.000 0.000 0.210 225 K C 1.082 177.689 176.600 0.013 0.000 1.045 225 K CA 1.154 57.439 56.287 -0.003 0.000 0.937 225 K CB -0.116 32.389 32.500 0.008 0.000 0.721 225 K HN 0.464 nan 8.250 nan 0.000 0.438 226 L N 2.846 124.068 121.223 -0.002 0.000 2.260 226 L HA 0.342 4.682 4.340 -0.000 0.000 0.289 226 L C -2.612 174.237 176.870 -0.034 0.000 1.057 226 L CA -2.312 52.524 54.840 -0.007 0.000 0.811 226 L CB 1.175 43.208 42.059 -0.043 0.000 1.184 226 L HN -0.001 nan 8.230 nan 0.000 0.429 227 P HA 0.143 nan 4.420 nan 0.000 0.268 227 P C 0.069 177.348 177.300 -0.035 0.000 1.204 227 P CA -0.002 63.082 63.100 -0.027 0.000 0.768 227 P CB 0.994 32.682 31.700 -0.019 0.000 0.842 228 A N 3.660 126.445 122.820 -0.059 0.000 1.908 228 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 228 A C 1.875 179.377 177.584 -0.135 0.000 1.181 228 A CA 1.448 53.433 52.037 -0.086 0.000 0.627 228 A CB -0.860 18.081 19.000 -0.098 0.000 0.818 228 A HN 0.503 nan 8.150 nan 0.000 0.445 229 E N -0.161 119.958 120.200 -0.135 0.000 2.150 229 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 229 E C 2.175 178.690 176.600 -0.142 0.000 0.985 229 E CA 1.134 57.429 56.400 -0.174 0.000 0.814 229 E CB -0.510 29.116 29.700 -0.122 0.000 0.752 229 E HN 0.416 nan 8.360 nan 0.000 0.466 230 V N 1.010 120.882 119.914 -0.071 0.000 2.358 230 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 230 V C 2.110 178.184 176.094 -0.033 0.000 1.047 230 V CA 1.531 63.809 62.300 -0.038 0.000 1.035 230 V CB -0.551 31.274 31.823 0.003 0.000 0.658 230 V HN 0.134 nan 8.190 nan 0.000 0.452 231 F N 1.038 120.881 119.950 -0.178 0.000 2.186 231 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 231 F C 2.325 177.979 175.800 -0.244 0.000 1.090 231 F CA 1.552 59.437 58.000 -0.192 0.000 1.307 231 F CB -0.240 38.657 39.000 -0.172 0.000 1.019 231 F HN 0.006 nan 8.300 nan 0.000 0.489 232 K N -0.249 119.918 120.400 -0.387 0.000 2.097 232 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 232 K C 2.350 178.737 176.600 -0.354 0.000 1.049 232 K CA 1.218 57.138 56.287 -0.611 0.000 0.933 232 K CB -0.892 30.986 32.500 -1.036 0.000 0.717 232 K HN 0.433 nan 8.250 nan 0.000 0.442 233 G N 1.737 110.370 108.800 -0.278 0.000 2.408 233 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 233 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 233 G C 1.439 176.206 174.900 -0.222 0.000 1.150 233 G CA 0.605 45.593 45.100 -0.187 0.000 0.776 233 G HN 0.223 nan 8.290 nan 0.000 0.542 234 K N 0.124 120.339 120.400 -0.308 0.000 2.025 234 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 234 K C 2.571 178.791 176.600 -0.633 0.000 1.049 234 K CA 1.213 57.237 56.287 -0.438 0.000 0.933 234 K CB -0.301 31.929 32.500 -0.451 0.000 0.714 234 K HN 0.153 nan 8.250 nan 0.000 0.438 235 V N 1.960 121.471 119.914 -0.672 0.000 2.287 235 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 235 V C 2.070 177.894 176.094 -0.450 0.000 1.053 235 V CA 2.098 64.037 62.300 -0.602 0.000 1.027 235 V CB -0.457 31.081 31.823 -0.475 0.000 0.646 235 V HN 0.422 nan 8.190 nan 0.000 0.447 236 E N -0.113 119.874 120.200 -0.354 0.000 2.110 236 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 236 E C 2.271 178.759 176.600 -0.186 0.000 0.988 236 E CA 1.253 57.489 56.400 -0.273 0.000 0.804 236 E CB -0.301 29.283 29.700 -0.193 0.000 0.745 236 E HN 0.622 nan 8.360 nan 0.000 0.458 237 A N 0.726 123.427 122.820 -0.199 0.000 1.930 237 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 237 A C 2.436 179.926 177.584 -0.157 0.000 1.175 237 A CA 0.825 52.818 52.037 -0.073 0.000 0.627 237 A CB -0.386 18.669 19.000 0.091 0.000 0.815 237 A HN 0.099 nan 8.150 nan 0.000 0.443 238 V N 0.263 119.851 119.914 -0.544 0.000 2.307 238 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 238 V C 2.527 178.455 176.094 -0.277 0.000 1.045 238 V CA 1.911 63.830 62.300 -0.634 0.000 1.024 238 V CB -0.677 30.637 31.823 -0.849 0.000 0.651 238 V HN 0.580 nan 8.190 nan 0.000 0.449 239 L N -0.459 120.620 121.223 -0.241 0.000 2.141 239 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 239 L C 2.481 179.353 176.870 0.004 0.000 1.094 239 L CA 1.516 56.298 54.840 -0.096 0.000 0.763 239 L CB -0.550 41.492 42.059 -0.029 0.000 0.908 239 L HN 0.387 nan 8.230 nan 0.000 0.437 240 E N 0.491 120.687 120.200 -0.005 0.000 2.106 240 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 240 E C 2.104 178.735 176.600 0.052 0.000 0.984 240 E CA 1.090 57.512 56.400 0.035 0.000 0.806 240 E CB 0.198 29.921 29.700 0.037 0.000 0.750 240 E HN 0.129 nan 8.360 nan 0.000 0.458 241 K N -0.049 120.392 120.400 0.068 0.000 2.217 241 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 241 K C 1.724 178.358 176.600 0.056 0.000 1.051 241 K CA 0.609 56.953 56.287 0.096 0.000 0.952 241 K CB 0.068 32.702 32.500 0.223 0.000 0.736 241 K HN 0.114 nan 8.250 nan 0.000 0.453 242 L N -1.045 120.197 121.223 0.033 0.000 2.179 242 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 242 L C 1.109 178.020 176.870 0.067 0.000 1.096 242 L CA 0.721 55.586 54.840 0.041 0.000 0.779 242 L CB -0.333 41.757 42.059 0.052 0.000 0.922 242 L HN 0.495 nan 8.230 nan 0.000 0.443 243 G N 0.705 109.547 108.800 0.070 0.000 2.246 243 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.273 243 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.273 243 G C -0.297 174.641 174.900 0.063 0.000 1.055 243 G CA 0.380 45.516 45.100 0.060 0.000 0.851 243 G HN 0.206 nan 8.290 nan 0.000 0.500 244 V N -0.242 119.729 119.914 0.094 0.000 2.924 244 V HA 0.629 4.749 4.120 -0.000 0.000 0.300 244 V C -2.340 173.797 176.094 0.072 0.000 1.227 244 V CA -1.658 60.676 62.300 0.057 0.000 0.954 244 V CB 2.415 34.253 31.823 0.025 0.000 1.055 244 V HN 0.120 nan 8.190 nan 0.000 0.429 245 P HA 0.283 nan 4.420 nan 0.000 0.263 245 P C -1.331 175.911 177.300 -0.096 0.000 1.195 245 P CA 0.616 63.706 63.100 -0.016 0.000 0.762 245 P CB -0.026 31.638 31.700 -0.060 0.000 0.799 246 F N 1.170 121.097 119.950 -0.039 0.000 2.593 246 F HA 0.420 4.947 4.527 -0.000 0.000 0.320 246 F C 0.363 176.097 175.800 -0.109 0.000 1.060 246 F CA -0.635 57.342 58.000 -0.039 0.000 0.940 246 F CB 2.340 41.334 39.000 -0.011 0.000 1.268 246 F HN 0.145 nan 8.300 nan 0.000 0.475 247 Q N 2.465 122.357 119.800 0.154 0.000 2.333 247 Q HA 0.619 4.959 4.340 -0.000 0.000 0.268 247 Q C -1.894 174.131 176.000 0.041 0.000 1.007 247 Q CA -0.676 55.123 55.803 -0.007 0.000 0.810 247 Q CB 1.991 30.681 28.738 -0.081 0.000 1.264 247 Q HN 0.513 nan 8.270 nan 0.000 0.452 248 V N 5.221 125.137 119.914 0.002 0.000 2.417 248 V HA 0.426 4.545 4.120 -0.000 0.000 0.291 248 V C -0.634 175.483 176.094 0.038 0.000 1.024 248 V CA -0.726 61.584 62.300 0.016 0.000 0.861 248 V CB 1.421 33.265 31.823 0.034 0.000 0.985 248 V HN 0.684 nan 8.190 nan 0.000 0.436 249 L N 5.676 126.922 121.223 0.038 0.000 2.305 249 L HA 0.588 4.928 4.340 -0.000 0.000 0.284 249 L C -0.369 176.629 176.870 0.214 0.000 1.013 249 L CA -0.152 54.774 54.840 0.143 0.000 0.819 249 L CB 1.935 44.122 42.059 0.213 0.000 1.227 249 L HN 0.422 nan 8.230 nan 0.000 0.417 250 V N 3.068 123.119 119.914 0.228 0.000 2.357 250 V HA 0.631 4.751 4.120 -0.000 0.000 0.284 250 V C 0.378 176.549 176.094 0.129 0.000 1.018 250 V CA -0.872 61.554 62.300 0.210 0.000 0.841 250 V CB 1.460 33.463 31.823 0.300 0.000 0.991 250 V HN 0.809 nan 8.190 nan 0.000 0.437 251 A N 3.472 126.346 122.820 0.091 0.000 2.404 251 A HA 0.521 4.841 4.320 -0.000 0.000 0.273 251 A C 1.169 178.761 177.584 0.013 0.000 1.144 251 A CA 0.412 52.486 52.037 0.061 0.000 0.806 251 A CB 0.295 19.325 19.000 0.050 0.000 1.080 251 A HN 1.022 nan 8.150 nan 0.000 0.509 252 T N -0.466 114.115 114.554 0.046 0.000 2.990 252 T HA 0.245 4.595 4.350 -0.000 0.000 0.249 252 T C 0.643 175.245 174.700 -0.163 0.000 1.039 252 T CA 0.507 62.583 62.100 -0.039 0.000 1.036 252 T CB -0.093 68.800 68.868 0.040 0.000 0.994 252 T HN 0.715 nan 8.240 nan 0.000 0.489 253 H N 0.181 119.241 119.070 -0.016 0.000 2.834 253 H HA 0.722 5.278 4.556 -0.000 0.000 0.369 253 H C -0.196 175.129 175.328 -0.005 0.000 1.174 253 H CA -1.011 55.030 56.048 -0.011 0.000 1.165 253 H CB 2.020 31.777 29.762 -0.008 0.000 1.820 253 H HN 0.345 nan 8.280 nan 0.000 0.558 254 A N 0.427 123.317 122.820 0.118 0.000 2.386 254 A HA 0.528 4.848 4.320 -0.000 0.000 0.246 254 A C 0.987 178.609 177.584 0.063 0.000 1.089 254 A CA 0.874 52.952 52.037 0.067 0.000 0.790 254 A CB -0.246 18.783 19.000 0.048 0.000 1.042 254 A HN 1.006 nan 8.150 nan 0.000 0.497 255 G N -1.296 107.527 108.800 0.037 0.000 2.408 255 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.204 255 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.204 255 G C 0.339 175.257 174.900 0.030 0.000 1.186 255 G CA 0.034 45.145 45.100 0.019 0.000 1.139 255 G HN 1.019 nan 8.290 nan 0.000 0.563 256 L N 1.101 122.341 121.223 0.029 0.000 2.093 256 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 256 L C 2.596 179.509 176.870 0.071 0.000 1.085 256 L CA 2.112 56.980 54.840 0.048 0.000 0.755 256 L CB -0.398 41.688 42.059 0.044 0.000 0.904 256 L HN 0.500 nan 8.230 nan 0.000 0.435 257 N N -0.610 118.131 118.700 0.069 0.000 2.354 257 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 257 N C 0.865 176.417 175.510 0.071 0.000 1.021 257 N CA 0.400 53.499 53.050 0.081 0.000 0.887 257 N CB -0.128 38.403 38.487 0.073 0.000 0.974 257 N HN 0.207 nan 8.380 nan 0.000 0.437 258 R N 2.111 122.646 120.500 0.058 0.000 2.449 258 R HA 0.050 4.390 4.340 -0.000 0.000 0.296 258 R C -0.238 176.086 176.300 0.041 0.000 1.047 258 R CA -0.058 56.066 56.100 0.039 0.000 1.018 258 R CB 0.447 30.769 30.300 0.038 0.000 0.962 258 R HN 0.019 nan 8.270 nan 0.000 0.428 259 K N 5.461 125.857 120.400 -0.007 0.000 2.436 259 K HA 0.039 4.359 4.320 -0.000 0.000 0.275 259 K C -1.650 174.978 176.600 0.046 0.000 0.999 259 K CA -1.219 55.062 56.287 -0.010 0.000 0.980 259 K CB 0.730 33.137 32.500 -0.155 0.000 0.919 259 K HN 0.463 nan 8.250 nan 0.000 0.484 260 P HA 0.026 nan 4.420 nan 0.000 0.257 260 P C -0.247 177.185 177.300 0.221 0.000 1.281 260 P CA 0.012 63.214 63.100 0.171 0.000 0.826 260 P CB 0.240 32.007 31.700 0.113 0.000 1.237 261 V N 1.558 121.569 119.914 0.161 0.000 2.572 261 V HA 0.041 4.161 4.120 -0.000 0.000 0.291 261 V C 1.579 177.783 176.094 0.182 0.000 1.039 261 V CA 0.562 62.940 62.300 0.130 0.000 1.055 261 V CB 0.555 32.433 31.823 0.092 0.000 0.969 261 V HN 0.192 nan 8.190 nan 0.000 0.482 262 S N 2.495 118.247 115.700 0.087 0.000 2.763 262 S HA 0.207 4.677 4.470 -0.000 0.000 0.237 262 S C 0.916 175.601 174.600 0.142 0.000 0.966 262 S CA -0.029 58.198 58.200 0.045 0.000 1.017 262 S CB -0.343 62.696 63.200 -0.270 0.000 0.780 262 S HN 0.993 nan 8.310 nan 0.000 0.476 266 D N 0.780 121.295 120.400 0.192 0.000 2.104 266 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 266 D C 1.564 177.890 176.300 0.045 0.000 0.994 266 D CA 2.376 56.437 54.000 0.102 0.000 0.830 266 D CB -0.779 40.097 40.800 0.126 0.000 0.959 266 D HN 0.356 nan 8.370 nan 0.000 0.452 267 H N -0.086 119.005 119.070 0.035 0.000 2.387 267 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 267 H C 1.998 177.312 175.328 -0.023 0.000 1.090 267 H CA 0.983 57.048 56.048 0.028 0.000 1.332 267 H CB -0.219 29.592 29.762 0.081 0.000 1.386 267 H HN 0.022 nan 8.280 nan 0.000 0.516 268 L N 0.484 121.720 121.223 0.021 0.000 1.989 268 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 268 L C 2.395 179.083 176.870 -0.303 0.000 1.071 268 L CA 2.171 56.930 54.840 -0.135 0.000 0.749 268 L CB -0.965 40.997 42.059 -0.163 0.000 0.890 268 L HN 0.358 nan 8.230 nan 0.000 0.431 269 Q N -0.178 119.382 119.800 -0.401 0.000 2.046 269 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 269 Q C 2.121 178.005 176.000 -0.193 0.000 0.975 269 Q CA 2.189 57.806 55.803 -0.310 0.000 0.836 269 Q CB -0.140 28.435 28.738 -0.273 0.000 0.896 269 Q HN 0.673 nan 8.270 nan 0.000 0.428 270 E N -1.135 118.961 120.200 -0.173 0.000 2.230 270 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 270 E C 1.706 178.193 176.600 -0.188 0.000 0.987 270 E CA 0.905 57.222 56.400 -0.138 0.000 0.841 270 E CB 0.310 29.957 29.700 -0.087 0.000 0.783 270 E HN 0.378 nan 8.360 nan 0.000 0.481 271 Q N -0.999 118.610 119.800 -0.318 0.000 2.586 271 Q HA 0.235 4.575 4.340 -0.000 0.000 0.243 271 Q C 1.622 177.444 176.000 -0.296 0.000 0.846 271 Q CA 0.676 56.258 55.803 -0.368 0.000 0.959 271 Q CB 0.280 28.616 28.738 -0.671 0.000 1.227 271 Q HN 0.138 nan 8.270 nan 0.000 0.611 272 A N 0.975 123.604 122.820 -0.318 0.000 2.275 272 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 272 A C 0.311 177.815 177.584 -0.132 0.000 1.201 272 A CA 0.108 52.049 52.037 -0.160 0.000 0.843 272 A CB -0.170 18.802 19.000 -0.046 0.000 0.873 272 A HN 0.103 nan 8.150 nan 0.000 0.492 273 N N -0.056 118.553 118.700 -0.150 0.000 2.342 273 N HA 0.329 5.069 4.740 -0.000 0.000 0.293 273 N C -0.733 174.714 175.510 -0.104 0.000 1.026 273 N CA -0.404 52.572 53.050 -0.123 0.000 0.857 273 N CB 1.252 39.655 38.487 -0.139 0.000 1.256 273 N HN 0.162 nan 8.380 nan 0.000 0.484 274 E N 1.558 121.708 120.200 -0.083 0.000 3.187 274 E HA 0.147 4.497 4.350 -0.000 0.000 0.297 274 E C 0.712 177.276 176.600 -0.060 0.000 1.515 274 E CA 0.329 56.687 56.400 -0.069 0.000 1.641 274 E CB -0.671 28.994 29.700 -0.058 0.000 1.314 274 E HN 0.883 nan 8.360 nan 0.000 0.462 275 G N 1.073 109.832 108.800 -0.068 0.000 2.184 275 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.264 275 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.264 275 G C 0.385 175.255 174.900 -0.049 0.000 0.975 275 G CA -0.146 44.921 45.100 -0.056 0.000 0.642 275 G HN 0.431 nan 8.290 nan 0.000 0.536 276 I N 2.778 123.316 120.570 -0.053 0.000 2.452 276 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 276 I C -1.819 174.273 176.117 -0.042 0.000 1.079 276 I CA -1.951 59.323 61.300 -0.043 0.000 1.387 276 I CB 1.048 39.022 38.000 -0.043 0.000 1.404 276 I HN -0.096 nan 8.210 nan 0.000 0.522 277 P HA 0.204 nan 4.420 nan 0.000 0.271 277 P C -0.641 176.666 177.300 0.012 0.000 1.216 277 P CA -0.005 63.090 63.100 -0.007 0.000 0.771 277 P CB 0.509 32.211 31.700 0.004 0.000 0.864 278 I N 1.433 122.029 120.570 0.043 0.000 2.321 278 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 278 I C 0.797 177.009 176.117 0.159 0.000 0.998 278 I CA -0.467 60.897 61.300 0.106 0.000 1.227 278 I CB 1.153 39.241 38.000 0.147 0.000 1.368 278 I HN 0.239 nan 8.210 nan 0.000 0.466 279 S N 5.141 120.910 115.700 0.116 0.000 2.437 279 S HA 0.097 4.567 4.470 -0.000 0.000 0.304 279 S C 1.253 175.934 174.600 0.134 0.000 1.167 279 S CA -0.449 57.811 58.200 0.099 0.000 1.106 279 S CB 0.381 63.613 63.200 0.054 0.000 1.099 279 S HN 0.493 nan 8.310 nan 0.000 0.524 280 V N 5.482 125.472 119.914 0.127 0.000 2.407 280 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 280 V C 2.239 178.344 176.094 0.019 0.000 1.055 280 V CA 2.085 64.423 62.300 0.063 0.000 1.049 280 V CB -0.524 31.280 31.823 -0.031 0.000 0.662 280 V HN 0.840 nan 8.190 nan 0.000 0.455 281 E N -0.360 119.855 120.200 0.025 0.000 2.204 281 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 281 E C 0.981 177.612 176.600 0.053 0.000 0.989 281 E CA 1.114 57.528 56.400 0.024 0.000 0.824 281 E CB -0.056 29.655 29.700 0.019 0.000 0.756 281 E HN 0.599 nan 8.360 nan 0.000 0.477 282 D N -0.000 120.443 120.400 0.072 0.000 2.395 282 D HA 0.138 4.778 4.640 -0.000 0.000 0.226 282 D C -0.205 176.199 176.300 0.174 0.000 1.146 282 D CA 0.190 54.246 54.000 0.093 0.000 0.830 282 D CB 0.621 41.446 40.800 0.041 0.000 0.958 282 D HN -0.090 nan 8.370 nan 0.000 0.501 283 S N -0.659 115.146 115.700 0.176 0.000 2.806 283 S HA 0.785 5.255 4.470 -0.000 0.000 0.315 283 S C -0.226 174.462 174.600 0.148 0.000 1.127 283 S CA -0.798 57.545 58.200 0.239 0.000 0.918 283 S CB 2.358 65.708 63.200 0.250 0.000 1.240 283 S HN 0.017 nan 8.310 nan 0.000 0.552 284 V N -0.286 119.685 119.914 0.095 0.000 3.012 284 V HA 0.749 4.869 4.120 -0.000 0.000 0.307 284 V C -1.670 174.399 176.094 -0.042 0.000 1.166 284 V CA -0.881 61.391 62.300 -0.046 0.000 0.974 284 V CB 1.550 33.245 31.823 -0.214 0.000 1.040 284 V HN 0.764 nan 8.190 nan 0.000 0.428 285 F N 2.687 122.517 119.950 -0.200 0.000 2.507 285 F HA 0.876 5.403 4.527 -0.000 0.000 0.325 285 F C -0.674 174.905 175.800 -0.367 0.000 1.116 285 F CA -0.954 56.951 58.000 -0.158 0.000 0.930 285 F CB 2.044 41.142 39.000 0.163 0.000 1.146 285 F HN 0.468 nan 8.300 nan 0.000 0.447 286 V N 4.814 124.012 119.914 -1.193 0.000 2.487 286 V HA 0.919 5.039 4.120 -0.000 0.000 0.298 286 V C -0.067 175.470 176.094 -0.927 0.000 1.028 286 V CA -0.459 61.194 62.300 -1.080 0.000 0.860 286 V CB 1.163 32.394 31.823 -0.987 0.000 0.991 286 V HN 1.053 nan 8.190 nan 0.000 0.427 287 G N 2.353 110.787 108.800 -0.610 0.000 2.703 287 G HA2 0.474 4.434 3.960 -0.000 0.000 0.294 287 G HA3 0.474 4.434 3.960 -0.000 0.000 0.294 287 G C -0.076 174.804 174.900 -0.033 0.000 1.451 287 G CA -0.077 44.879 45.100 -0.241 0.000 0.869 287 G HN 0.593 nan 8.290 nan 0.000 0.516 288 D N 0.344 120.747 120.400 0.005 0.000 2.194 288 D HA 0.022 4.662 4.640 -0.000 0.000 0.204 288 D C 1.550 177.873 176.300 0.039 0.000 0.964 288 D CA 0.847 54.860 54.000 0.021 0.000 0.846 288 D CB -0.077 40.742 40.800 0.032 0.000 0.962 288 D HN 0.592 nan 8.370 nan 0.000 0.490 289 A N 0.462 123.320 122.820 0.064 0.000 2.899 289 A HA 0.511 4.831 4.320 -0.000 0.000 0.287 289 A C 0.935 178.530 177.584 0.019 0.000 1.715 289 A CA 0.209 52.271 52.037 0.042 0.000 1.393 289 A CB -0.498 18.528 19.000 0.044 0.000 1.070 289 A HN 0.323 nan 8.150 nan 0.000 0.587 290 A N 1.315 124.128 122.820 -0.011 0.000 2.508 290 A HA 0.503 4.823 4.320 -0.000 0.000 0.257 290 A C 1.443 178.955 177.584 -0.120 0.000 1.226 290 A CA 0.611 52.615 52.037 -0.055 0.000 0.947 290 A CB -0.476 18.567 19.000 0.073 0.000 1.079 290 A HN 2.199 nan 8.150 nan 0.000 0.531 291 G N 0.437 109.198 108.800 -0.066 0.000 2.273 291 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 291 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 291 G C 0.158 175.087 174.900 0.049 0.000 1.047 291 G CA 0.459 45.555 45.100 -0.006 0.000 0.869 291 G HN 0.633 nan 8.290 nan 0.000 0.502 292 R N -0.915 119.562 120.500 -0.038 0.000 2.594 292 R HA 0.568 4.908 4.340 -0.000 0.000 0.272 292 R C 1.401 177.759 176.300 0.097 0.000 1.074 292 R CA -0.385 55.682 56.100 -0.056 0.000 1.105 292 R CB 0.478 30.435 30.300 -0.571 0.000 1.008 292 R HN 0.352 nan 8.270 nan 0.000 0.472 293 L N 1.711 123.037 121.223 0.170 0.000 2.472 293 L HA 0.251 4.591 4.340 -0.000 0.000 0.260 293 L C 0.745 177.801 176.870 0.309 0.000 1.209 293 L CA -0.547 54.411 54.840 0.196 0.000 0.817 293 L CB 0.371 42.519 42.059 0.149 0.000 1.106 293 L HN 0.693 nan 8.230 nan 0.000 0.479 294 A N 1.641 124.593 122.820 0.221 0.000 2.531 294 A HA 0.080 4.400 4.320 -0.000 0.000 0.236 294 A C 0.675 178.366 177.584 0.177 0.000 1.062 294 A CA -0.105 52.052 52.037 0.200 0.000 0.760 294 A CB -0.241 18.831 19.000 0.120 0.000 0.995 294 A HN 0.958 nan 8.150 nan 0.000 0.501 295 N N 0.458 119.221 118.700 0.104 0.000 2.754 295 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 295 N C 0.522 176.062 175.510 0.051 0.000 1.093 295 N CA 1.272 54.328 53.050 0.010 0.000 0.699 295 N CB -1.365 37.135 38.487 0.021 0.000 1.016 295 N HN 1.010 nan 8.380 nan 0.000 0.552 296 W N -0.823 120.529 121.300 0.086 0.000 2.519 296 W HA 0.411 5.071 4.660 -0.000 0.000 0.266 296 W C 0.267 176.848 176.519 0.104 0.000 1.253 296 W CA 0.835 58.242 57.345 0.103 0.000 1.274 296 W CB -0.044 29.500 29.460 0.140 0.000 1.114 296 W HN 0.252 nan 8.180 nan 0.000 0.596 297 A N 0.926 123.444 122.820 -0.505 0.000 2.587 297 A HA 0.658 4.978 4.320 -0.000 0.000 0.293 297 A C -2.795 174.562 177.584 -0.378 0.000 1.087 297 A CA -1.524 50.246 52.037 -0.446 0.000 0.692 297 A CB 0.650 19.260 19.000 -0.650 0.000 1.291 297 A HN -0.241 nan 8.150 nan 0.000 0.407 298 P HA 0.368 nan 4.420 nan 0.000 0.264 298 P C 1.063 178.258 177.300 -0.176 0.000 1.193 298 P CA 1.938 64.926 63.100 -0.185 0.000 0.763 298 P CB 0.812 32.420 31.700 -0.154 0.000 0.810 299 G N 2.885 111.605 108.800 -0.134 0.000 2.358 299 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.224 299 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.224 299 G C 0.387 175.214 174.900 -0.121 0.000 1.073 299 G CA -0.477 44.566 45.100 -0.095 0.000 0.635 299 G HN 0.508 nan 8.290 nan 0.000 0.509 300 R N 1.373 121.718 120.500 -0.258 0.000 3.235 300 R HA 0.395 4.735 4.340 -0.000 0.000 0.232 300 R C 1.330 177.517 176.300 -0.188 0.000 1.475 300 R CA -0.191 55.740 56.100 -0.283 0.000 1.405 300 R CB 0.418 30.289 30.300 -0.715 0.000 1.266 300 R HN 0.497 nan 8.270 nan 0.000 0.650 301 K N 0.578 120.939 120.400 -0.064 0.000 2.155 301 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 301 K C 0.624 177.251 176.600 0.046 0.000 1.052 301 K CA 0.995 57.274 56.287 -0.014 0.000 0.948 301 K CB 0.324 32.822 32.500 -0.002 0.000 0.728 301 K HN 0.100 nan 8.250 nan 0.000 0.448 302 K N 1.912 122.360 120.400 0.080 0.000 2.098 302 K HA 0.060 4.380 4.320 -0.000 0.000 0.258 302 K C -0.204 176.520 176.600 0.206 0.000 0.973 302 K CA -0.561 55.798 56.287 0.121 0.000 0.898 302 K CB 0.950 33.512 32.500 0.104 0.000 1.057 302 K HN -0.109 nan 8.250 nan 0.000 0.447 303 K N 1.895 122.408 120.400 0.190 0.000 2.180 303 K HA 0.071 4.391 4.320 -0.000 0.000 0.251 303 K C -0.758 175.960 176.600 0.196 0.000 1.014 303 K CA -0.347 56.072 56.287 0.219 0.000 0.913 303 K CB 0.407 32.997 32.500 0.151 0.000 1.008 303 K HN 0.392 nan 8.250 nan 0.000 0.490 304 D N 0.359 120.857 120.400 0.163 0.000 2.443 304 D HA 0.034 4.674 4.640 -0.000 0.000 0.239 304 D C 1.067 177.419 176.300 0.088 0.000 1.136 304 D CA 0.243 54.310 54.000 0.112 0.000 0.879 304 D CB 0.340 41.164 40.800 0.041 0.000 1.195 304 D HN 0.501 nan 8.370 nan 0.000 0.443 305 F N 0.541 120.540 119.950 0.082 0.000 2.102 305 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 305 F C 1.572 177.403 175.800 0.052 0.000 1.105 305 F CA 1.146 59.187 58.000 0.068 0.000 1.239 305 F CB -0.136 38.905 39.000 0.068 0.000 0.991 305 F HN 0.386 nan 8.300 nan 0.000 0.474 306 S N -3.314 112.411 115.700 0.042 0.000 2.634 306 S HA 0.465 4.935 4.470 -0.000 0.000 0.296 306 S C -0.054 174.544 174.600 -0.003 0.000 1.104 306 S CA 0.142 58.356 58.200 0.024 0.000 0.920 306 S CB 1.274 64.492 63.200 0.029 0.000 1.111 306 S HN 0.602 nan 8.310 nan 0.000 0.493 307 C N 2.705 121.985 119.300 -0.034 0.000 3.125 307 C HA 0.638 5.098 4.460 -0.000 0.000 0.284 307 C C 2.106 177.014 174.990 -0.137 0.000 1.386 307 C CA 0.243 59.200 59.018 -0.101 0.000 1.763 307 C CB -1.762 25.901 27.740 -0.129 0.000 2.377 307 C HN 0.913 nan 8.230 nan 0.000 0.620 308 A N 0.912 123.698 122.820 -0.057 0.000 1.892 308 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 308 A C 1.872 179.456 177.584 -0.001 0.000 1.188 308 A CA 2.448 54.471 52.037 -0.024 0.000 0.631 308 A CB -0.484 18.527 19.000 0.018 0.000 0.822 308 A HN 0.611 nan 8.150 nan 0.000 0.447 309 D N -0.970 119.460 120.400 0.051 0.000 2.117 309 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 309 D C 2.118 178.355 176.300 -0.106 0.000 0.987 309 D CA 1.589 55.749 54.000 0.268 0.000 0.829 309 D CB -0.332 40.704 40.800 0.393 0.000 0.961 309 D HN 0.609 nan 8.370 nan 0.000 0.460 310 R N 0.638 120.705 120.500 -0.723 0.000 2.092 310 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 310 R C 2.391 178.274 176.300 -0.695 0.000 1.119 310 R CA 0.721 56.000 56.100 -1.368 0.000 0.970 310 R CB -0.212 29.373 30.300 -1.192 0.000 0.864 310 R HN 0.151 nan 8.270 nan 0.000 0.440 311 L N -0.119 120.820 121.223 -0.473 0.000 2.156 311 L HA -0.069 4.270 4.340 -0.000 0.000 0.208 311 L C 2.270 179.036 176.870 -0.174 0.000 1.095 311 L CA 0.694 55.276 54.840 -0.429 0.000 0.770 311 L CB -0.486 41.264 42.059 -0.515 0.000 0.914 311 L HN 0.183 nan 8.230 nan 0.000 0.439 312 F N 1.380 121.172 119.950 -0.263 0.000 2.095 312 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 312 F C 2.454 178.042 175.800 -0.353 0.000 1.104 312 F CA 1.424 59.251 58.000 -0.289 0.000 1.232 312 F CB -0.226 38.553 39.000 -0.368 0.000 0.987 312 F HN -0.003 nan 8.300 nan 0.000 0.475 313 A N 0.420 123.077 122.820 -0.272 0.000 1.933 313 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 313 A C 2.285 179.675 177.584 -0.323 0.000 1.175 313 A CA 1.689 53.547 52.037 -0.300 0.000 0.628 313 A CB -1.149 17.850 19.000 -0.002 0.000 0.814 313 A HN 0.510 nan 8.150 nan 0.000 0.444 314 L N -0.398 120.665 121.223 -0.266 0.000 2.217 314 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 314 L C 2.006 178.801 176.870 -0.126 0.000 1.107 314 L CA 0.687 55.433 54.840 -0.156 0.000 0.783 314 L CB -0.427 41.576 42.059 -0.092 0.000 0.919 314 L HN 0.359 nan 8.230 nan 0.000 0.442 315 N N -0.647 117.938 118.700 -0.192 0.000 2.300 315 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 315 N C 1.785 177.092 175.510 -0.337 0.000 1.016 315 N CA 0.979 53.907 53.050 -0.203 0.000 0.876 315 N CB 0.050 38.430 38.487 -0.178 0.000 0.979 315 N HN 0.107 nan 8.380 nan 0.000 0.432 316 V N -0.810 118.771 119.914 -0.556 0.000 2.535 316 V HA 0.177 4.297 4.120 -0.000 0.000 0.246 316 V C 1.534 177.359 176.094 -0.448 0.000 1.045 316 V CA 1.355 63.263 62.300 -0.653 0.000 1.058 316 V CB -0.460 30.652 31.823 -1.185 0.000 0.689 316 V HN 0.437 nan 8.190 nan 0.000 0.461 317 G N 0.007 108.588 108.800 -0.366 0.000 2.154 317 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.186 317 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.186 317 G C -0.065 174.702 174.900 -0.221 0.000 1.000 317 G CA -0.204 44.756 45.100 -0.233 0.000 0.664 317 G HN 0.374 nan 8.290 nan 0.000 0.513 318 L N 1.442 122.485 121.223 -0.300 0.000 2.380 318 L HA 0.385 4.725 4.340 -0.000 0.000 0.273 318 L C -1.578 175.257 176.870 -0.058 0.000 1.138 318 L CA -1.842 52.872 54.840 -0.211 0.000 0.832 318 L CB 0.605 42.500 42.059 -0.273 0.000 1.124 318 L HN -0.082 nan 8.230 nan 0.000 0.454 319 P HA 0.041 nan 4.420 nan 0.000 0.268 319 P C -1.128 176.233 177.300 0.101 0.000 1.205 319 P CA 0.113 63.239 63.100 0.043 0.000 0.771 319 P CB 0.377 32.097 31.700 0.035 0.000 0.858 320 F N 2.335 122.240 119.950 -0.074 0.000 2.546 320 F HA 0.722 5.248 4.527 -0.000 0.000 0.320 320 F C -1.043 174.683 175.800 -0.122 0.000 1.076 320 F CA -0.698 57.242 58.000 -0.101 0.000 0.928 320 F CB 1.584 40.514 39.000 -0.117 0.000 1.189 320 F HN 0.405 nan 8.300 nan 0.000 0.465 321 A N 2.394 124.548 122.820 -1.111 0.000 2.515 321 A HA 0.653 4.973 4.320 -0.000 0.000 0.298 321 A C -0.652 176.284 177.584 -1.080 0.000 1.059 321 A CA -0.285 51.273 52.037 -0.798 0.000 0.698 321 A CB 1.105 19.907 19.000 -0.328 0.000 1.289 321 A HN 0.911 nan 8.150 nan 0.000 0.404 322 T N -0.454 113.752 114.554 -0.579 0.000 2.849 322 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 322 T C -1.916 172.674 174.700 -0.183 0.000 1.004 322 T CA -1.393 60.479 62.100 -0.380 0.000 1.021 322 T CB 0.908 69.639 68.868 -0.227 0.000 1.013 322 T HN 0.220 nan 8.240 nan 0.000 0.527 323 P HA -0.152 nan 4.420 nan 0.000 0.216 323 P C 1.561 179.025 177.300 0.275 0.000 1.153 323 P CA 1.164 64.410 63.100 0.244 0.000 0.858 323 P CB 0.049 31.919 31.700 0.283 0.000 0.789 324 E N -0.020 120.189 120.200 0.014 0.000 2.216 324 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 324 E C 1.700 178.168 176.600 -0.221 0.000 0.988 324 E CA 0.943 57.107 56.400 -0.393 0.000 0.834 324 E CB -0.730 28.420 29.700 -0.916 0.000 0.772 324 E HN 0.375 nan 8.360 nan 0.000 0.479 325 E N 0.336 120.524 120.200 -0.021 0.000 2.046 325 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 325 E C 1.740 178.344 176.600 0.007 0.000 0.982 325 E CA 0.955 57.385 56.400 0.051 0.000 0.800 325 E CB -0.202 29.510 29.700 0.020 0.000 0.756 325 E HN 0.170 nan 8.360 nan 0.000 0.449 326 F N -0.210 119.612 119.950 -0.213 0.000 2.128 326 F HA -0.094 4.433 4.527 -0.000 0.000 0.295 326 F C 1.642 177.249 175.800 -0.322 0.000 1.100 326 F CA 1.423 59.221 58.000 -0.337 0.000 1.260 326 F CB -0.038 38.633 39.000 -0.547 0.000 1.009 326 F HN -0.052 nan 8.300 nan 0.000 0.476 327 F N -0.569 119.418 119.950 0.061 0.000 2.262 327 F HA 0.063 4.590 4.527 -0.000 0.000 0.292 327 F C 1.764 177.469 175.800 -0.159 0.000 1.081 327 F CA 0.639 58.621 58.000 -0.030 0.000 1.355 327 F CB -0.169 38.909 39.000 0.130 0.000 1.069 327 F HN -0.207 nan 8.300 nan 0.000 0.506 328 L N -0.389 120.784 121.223 -0.083 0.000 2.640 328 L HA 0.157 4.497 4.340 -0.000 0.000 0.230 328 L C 0.278 177.193 176.870 0.076 0.000 1.123 328 L CA 0.141 54.895 54.840 -0.143 0.000 0.900 328 L CB -0.342 41.403 42.059 -0.523 0.000 1.146 328 L HN 0.051 nan 8.230 nan 0.000 0.484 329 K N -0.824 119.608 120.400 0.053 0.000 3.071 329 K HA -0.200 4.120 4.320 -0.000 0.000 0.265 329 K C -0.727 176.037 176.600 0.272 0.000 1.060 329 K CA 0.288 56.639 56.287 0.107 0.000 0.767 329 K CB -1.301 31.230 32.500 0.052 0.000 1.241 329 K HN 0.178 nan 8.250 nan 0.000 0.486 330 W N 1.711 123.017 121.300 0.010 0.000 2.150 330 W HA 0.174 4.834 4.660 -0.000 0.000 0.341 330 W C -1.325 175.226 176.519 0.054 0.000 1.276 330 W CA -1.770 55.602 57.345 0.046 0.000 1.238 330 W CB -0.525 28.993 29.460 0.096 0.000 1.128 330 W HN 0.029 nan 8.180 nan 0.000 0.581 331 P HA 0.237 nan 4.420 nan 0.000 0.274 331 P C -0.840 176.586 177.300 0.209 0.000 1.246 331 P CA -0.365 62.833 63.100 0.164 0.000 0.795 331 P CB 0.434 32.191 31.700 0.095 0.000 1.006 332 A N 1.431 124.349 122.820 0.164 0.000 2.545 332 A HA 0.399 4.719 4.320 -0.000 0.000 0.253 332 A C 0.782 178.497 177.584 0.218 0.000 1.074 332 A CA 0.041 52.183 52.037 0.176 0.000 0.760 332 A CB -0.883 18.214 19.000 0.162 0.000 1.005 332 A HN 0.663 nan 8.150 nan 0.000 0.506 333 A N 4.148 127.108 122.820 0.233 0.000 2.371 333 A HA 0.529 4.849 4.320 -0.000 0.000 0.257 333 A C 0.679 178.431 177.584 0.280 0.000 1.089 333 A CA -0.592 51.608 52.037 0.272 0.000 0.794 333 A CB 0.226 19.303 19.000 0.128 0.000 1.029 333 A HN 0.812 nan 8.150 nan 0.000 0.488 334 R N 0.373 121.030 120.500 0.261 0.000 2.491 334 R HA 0.423 4.763 4.340 -0.000 0.000 0.283 334 R C -0.697 175.737 176.300 0.222 0.000 1.072 334 R CA 0.328 56.538 56.100 0.183 0.000 1.048 334 R CB -0.161 30.213 30.300 0.123 0.000 0.983 334 R HN 0.695 nan 8.270 nan 0.000 0.450 335 F N -1.529 118.431 119.950 0.017 0.000 2.692 335 F HA 0.588 5.115 4.527 -0.000 0.000 0.320 335 F C -0.687 175.106 175.800 -0.011 0.000 1.123 335 F CA -1.267 56.723 58.000 -0.016 0.000 0.961 335 F CB 1.430 40.402 39.000 -0.046 0.000 1.383 335 F HN 0.470 nan 8.300 nan 0.000 0.483 336 E N 1.529 121.803 120.200 0.123 0.000 2.317 336 E HA 0.682 5.032 4.350 -0.000 0.000 0.270 336 E C -1.957 174.715 176.600 0.119 0.000 0.885 336 E CA -0.992 55.420 56.400 0.021 0.000 0.760 336 E CB 2.895 32.602 29.700 0.012 0.000 1.227 336 E HN 0.762 nan 8.360 nan 0.000 0.434 337 L N 1.423 122.681 121.223 0.058 0.000 2.334 337 L HA 0.519 4.859 4.340 -0.000 0.000 0.270 337 L C -2.083 174.797 176.870 0.017 0.000 1.018 337 L CA -2.440 52.404 54.840 0.007 0.000 0.811 337 L CB 0.935 42.999 42.059 0.009 0.000 1.271 337 L HN 0.484 nan 8.230 nan 0.000 0.443 338 P HA -0.043 nan 4.420 nan 0.000 0.264 338 P C 0.151 177.527 177.300 0.125 0.000 1.179 338 P CA 0.093 63.257 63.100 0.105 0.000 0.763 338 P CB 0.694 32.521 31.700 0.211 0.000 0.806 339 A N 3.054 125.941 122.820 0.111 0.000 2.070 339 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 339 A C 0.727 178.404 177.584 0.155 0.000 1.159 339 A CA 0.946 53.044 52.037 0.101 0.000 0.656 339 A CB -0.817 18.225 19.000 0.070 0.000 0.800 339 A HN 0.539 nan 8.150 nan 0.000 0.453 340 F N 0.664 120.613 119.950 -0.001 0.000 2.411 340 F HA 0.530 5.057 4.527 -0.000 0.000 0.352 340 F C -0.931 174.842 175.800 -0.045 0.000 1.123 340 F CA -2.325 55.641 58.000 -0.057 0.000 1.044 340 F CB 1.089 40.007 39.000 -0.138 0.000 1.135 340 F HN -0.029 nan 8.300 nan 0.000 0.461 341 D N 8.811 128.876 120.400 -0.557 0.000 2.412 341 D HA 0.322 4.962 4.640 -0.000 0.000 0.224 341 D C -1.899 173.689 176.300 -1.186 0.000 1.093 341 D CA -2.406 51.155 54.000 -0.731 0.000 0.850 341 D CB 1.883 42.534 40.800 -0.248 0.000 1.046 341 D HN 0.317 nan 8.370 nan 0.000 0.507 342 P HA 0.006 nan 4.420 nan 0.000 0.231 342 P C 1.072 178.036 177.300 -0.559 0.000 1.168 342 P CA 0.249 62.659 63.100 -1.150 0.000 0.779 342 P CB 0.537 31.517 31.700 -1.199 0.000 0.844 343 R N 0.239 120.387 120.500 -0.587 0.000 2.152 343 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 343 R C 1.707 177.889 176.300 -0.196 0.000 1.117 343 R CA 1.938 57.840 56.100 -0.329 0.000 0.981 343 R CB -0.794 29.334 30.300 -0.288 0.000 0.870 343 R HN 0.331 nan 8.270 nan 0.000 0.451 344 T N -2.514 111.924 114.554 -0.193 0.000 3.085 344 T HA 0.261 4.611 4.350 -0.000 0.000 0.264 344 T C 0.687 175.350 174.700 -0.062 0.000 1.019 344 T CA -0.388 61.649 62.100 -0.105 0.000 0.910 344 T CB 0.149 68.966 68.868 -0.084 0.000 1.059 344 T HN 0.037 nan 8.240 nan 0.000 0.542 345 I N 3.788 124.328 120.570 -0.051 0.000 2.618 345 I HA 0.294 4.464 4.170 -0.000 0.000 0.284 345 I C 0.256 176.365 176.117 -0.012 0.000 1.146 345 I CA -0.010 61.309 61.300 0.033 0.000 1.425 345 I CB 0.640 38.746 38.000 0.177 0.000 1.383 345 I HN 0.486 nan 8.210 nan 0.000 0.562 346 S N 3.553 119.240 115.700 -0.023 0.000 2.709 346 S HA 0.417 4.887 4.470 -0.000 0.000 0.302 346 S C 0.301 174.855 174.600 -0.078 0.000 1.127 346 S CA -0.187 57.980 58.200 -0.055 0.000 0.905 346 S CB 1.709 64.882 63.200 -0.045 0.000 1.151 346 S HN 0.642 nan 8.310 nan 0.000 0.510 347 S N -0.334 115.313 115.700 -0.089 0.000 2.577 347 S HA 0.527 4.997 4.470 -0.000 0.000 0.219 347 S C 0.752 175.309 174.600 -0.073 0.000 0.962 347 S CA -0.157 57.985 58.200 -0.096 0.000 0.921 347 S CB -0.583 62.552 63.200 -0.108 0.000 0.789 347 S HN 1.117 nan 8.310 nan 0.000 0.497 348 A N 1.148 123.931 122.820 -0.062 0.000 2.313 348 A HA 0.755 5.075 4.320 -0.000 0.000 0.261 348 A C 1.051 178.603 177.584 -0.055 0.000 1.090 348 A CA 0.161 52.165 52.037 -0.055 0.000 0.807 348 A CB -0.562 18.410 19.000 -0.047 0.000 1.055 348 A HN 1.622 nan 8.150 nan 0.000 0.492 349 G N -0.307 108.458 108.800 -0.059 0.000 2.661 349 G HA2 0.138 4.098 3.960 -0.000 0.000 0.685 349 G HA3 0.138 4.098 3.960 -0.000 0.000 0.685 349 G C -3.015 171.833 174.900 -0.087 0.000 1.298 349 G CA -0.476 44.584 45.100 -0.066 0.000 0.855 349 G HN 0.871 nan 8.290 nan 0.000 0.560 350 P HA 0.405 nan 4.420 nan 0.000 0.275 350 P C 1.135 178.339 177.300 -0.161 0.000 1.227 350 P CA -0.704 62.291 63.100 -0.174 0.000 0.781 350 P CB 0.972 32.545 31.700 -0.211 0.000 0.906 351 L N 3.236 124.348 121.223 -0.185 0.000 2.083 351 L HA -0.010 4.330 4.340 -0.000 0.000 0.209 351 L C 0.380 177.245 176.870 -0.010 0.000 1.083 351 L CA 1.690 56.497 54.840 -0.054 0.000 0.752 351 L CB -0.652 41.405 42.059 -0.004 0.000 0.899 351 L HN 0.549 nan 8.230 nan 0.000 0.433 352 Y N -3.728 116.478 120.300 -0.156 0.000 2.670 352 Y HA 0.676 5.225 4.550 -0.000 0.000 0.334 352 Y C -1.410 174.379 175.900 -0.184 0.000 1.185 352 Y CA -2.133 55.824 58.100 -0.239 0.000 1.053 352 Y CB 0.723 38.981 38.460 -0.336 0.000 1.298 352 Y HN -0.262 nan 8.280 nan 0.000 0.459 353 L N 2.200 123.416 121.223 -0.012 0.000 2.401 353 L HA 0.641 4.981 4.340 -0.000 0.000 0.266 353 L C -2.782 174.102 176.870 0.024 0.000 0.991 353 L CA -2.212 52.603 54.840 -0.042 0.000 0.818 353 L CB 2.884 44.899 42.059 -0.073 0.000 1.321 353 L HN 0.430 nan 8.230 nan 0.000 0.413 354 P HA 0.168 nan 4.420 nan 0.000 0.278 354 P C -0.040 177.255 177.300 -0.007 0.000 1.238 354 P CA -0.392 62.708 63.100 -0.001 0.000 0.794 354 P CB 0.751 32.457 31.700 0.010 0.000 0.955 355 E N 0.644 120.781 120.200 -0.106 0.000 2.265 355 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 355 E C 1.539 178.105 176.600 -0.057 0.000 0.996 355 E CA 1.480 57.765 56.400 -0.192 0.000 0.832 355 E CB -0.226 29.362 29.700 -0.186 0.000 0.756 355 E HN 0.528 nan 8.360 nan 0.000 0.491 356 S N 0.395 116.094 115.700 -0.001 0.000 2.453 356 S HA -0.016 4.454 4.470 -0.000 0.000 0.231 356 S C 1.337 175.984 174.600 0.079 0.000 1.005 356 S CA -0.047 58.170 58.200 0.029 0.000 0.949 356 S CB 0.105 63.316 63.200 0.018 0.000 0.774 356 S HN -0.091 nan 8.310 nan 0.000 0.510 357 S N 1.773 117.550 115.700 0.128 0.000 2.576 357 S HA 0.332 4.802 4.470 -0.000 0.000 0.272 357 S C 0.146 174.860 174.600 0.191 0.000 1.352 357 S CA -0.351 57.937 58.200 0.147 0.000 1.021 357 S CB 0.913 64.194 63.200 0.136 0.000 0.887 357 S HN 0.481 nan 8.310 nan 0.000 0.542 358 S N 1.222 116.981 115.700 0.098 0.000 2.499 358 S HA 0.268 4.738 4.470 -0.000 0.000 0.279 358 S C 0.915 175.491 174.600 -0.039 0.000 1.219 358 S CA -0.811 57.436 58.200 0.079 0.000 1.062 358 S CB 0.598 63.840 63.200 0.071 0.000 0.978 358 S HN 0.590 nan 8.310 nan 0.000 0.489 359 L N 6.511 127.676 121.223 -0.097 0.000 1.994 359 L HA 0.239 4.579 4.340 -0.000 0.000 0.208 359 L C 0.179 177.039 176.870 -0.018 0.000 1.071 359 L CA 1.913 56.568 54.840 -0.309 0.000 0.745 359 L CB -0.306 41.636 42.059 -0.193 0.000 0.892 359 L HN 0.652 nan 8.230 nan 0.000 0.431 360 L N -1.474 119.783 121.223 0.056 0.000 2.286 360 L HA 0.419 4.759 4.340 -0.000 0.000 0.265 360 L C -0.122 176.845 176.870 0.161 0.000 1.012 360 L CA -0.639 54.287 54.840 0.144 0.000 0.818 360 L CB 1.655 43.821 42.059 0.179 0.000 1.337 360 L HN -0.069 nan 8.230 nan 0.000 0.438 361 S N 0.466 116.299 115.700 0.221 0.000 2.472 361 S HA 0.479 4.949 4.470 -0.000 0.000 0.303 361 S C -1.815 172.843 174.600 0.097 0.000 1.099 361 S CA -1.449 56.833 58.200 0.136 0.000 1.077 361 S CB 1.499 64.772 63.200 0.122 0.000 1.031 361 S HN 0.458 nan 8.310 nan 0.000 0.487 362 P HA 0.086 nan 4.420 nan 0.000 0.237 362 P C -0.491 176.812 177.300 0.006 0.000 1.178 362 P CA 0.424 63.545 63.100 0.035 0.000 0.766 362 P CB -0.008 31.712 31.700 0.034 0.000 0.876 363 N N 0.289 118.992 118.700 0.004 0.000 2.362 363 N HA 0.345 5.085 4.740 -0.000 0.000 0.299 363 N C -2.801 172.683 175.510 -0.044 0.000 1.170 363 N CA -2.163 50.878 53.050 -0.014 0.000 0.825 363 N CB 0.456 38.946 38.487 0.005 0.000 1.299 363 N HN -0.143 nan 8.380 nan 0.000 0.502 364 P HA -0.020 nan 4.420 nan 0.000 0.263 364 P C -0.325 176.951 177.300 -0.039 0.000 1.175 364 P CA 0.677 63.730 63.100 -0.078 0.000 0.761 364 P CB 0.380 32.050 31.700 -0.051 0.000 0.794 365 E N 0.268 120.440 120.200 -0.045 0.000 2.435 365 E HA 0.570 4.920 4.350 -0.000 0.000 0.277 365 E C -1.788 174.840 176.600 0.046 0.000 1.106 365 E CA -1.060 55.355 56.400 0.025 0.000 0.868 365 E CB 0.800 30.543 29.700 0.071 0.000 1.454 365 E HN -0.014 nan 8.360 nan 0.000 0.452 366 V N 1.237 121.205 119.914 0.091 0.000 2.444 366 V HA 0.408 4.528 4.120 -0.000 0.000 0.294 366 V C -0.743 175.421 176.094 0.118 0.000 1.022 366 V CA -0.801 61.565 62.300 0.109 0.000 0.850 366 V CB 1.595 33.491 31.823 0.122 0.000 0.992 366 V HN 0.546 nan 8.190 nan 0.000 0.426 367 V N 5.962 125.916 119.914 0.066 0.000 2.370 367 V HA 0.406 4.526 4.120 -0.000 0.000 0.279 367 V C -0.092 175.976 176.094 -0.044 0.000 1.029 367 V CA -0.482 61.769 62.300 -0.082 0.000 0.870 367 V CB 1.896 33.464 31.823 -0.424 0.000 0.984 367 V HN 0.620 nan 8.190 nan 0.000 0.451 368 V N 4.890 124.835 119.914 0.051 0.000 2.370 368 V HA 0.662 4.782 4.120 -0.000 0.000 0.279 368 V C 0.542 176.690 176.094 0.090 0.000 1.029 368 V CA -0.523 61.834 62.300 0.094 0.000 0.870 368 V CB 1.436 33.449 31.823 0.317 0.000 0.984 368 V HN 0.944 nan 8.190 nan 0.000 0.451 369 A N 5.225 128.110 122.820 0.108 0.000 2.301 369 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 369 A C -0.534 177.191 177.584 0.235 0.000 1.185 369 A CA -0.413 51.777 52.037 0.254 0.000 0.830 369 A CB 0.988 20.142 19.000 0.256 0.000 1.112 369 A HN 0.688 nan 8.150 nan 0.000 0.508 370 V N 1.840 121.954 119.914 0.335 0.000 2.483 370 V HA 0.846 4.966 4.120 -0.000 0.000 0.297 370 V C 0.461 176.772 176.094 0.362 0.000 1.027 370 V CA 0.382 62.873 62.300 0.318 0.000 0.855 370 V CB 1.330 33.328 31.823 0.292 0.000 0.995 370 V HN 1.544 nan 8.190 nan 0.000 0.424 371 G N 2.685 111.625 108.800 0.233 0.000 2.387 371 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 371 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 371 G C -1.262 173.352 174.900 -0.477 0.000 1.509 371 G CA -0.794 44.325 45.100 0.032 0.000 0.806 371 G HN 0.326 nan 8.290 nan 0.000 0.546 372 F N 0.817 120.330 119.950 -0.727 0.000 2.589 372 F HA 0.313 4.840 4.527 -0.000 0.000 0.352 372 F C -1.388 174.090 175.800 -0.537 0.000 1.168 372 F CA -0.367 57.043 58.000 -0.984 0.000 1.353 372 F CB 0.713 39.358 39.000 -0.592 0.000 1.116 372 F HN 0.080 nan 8.300 nan 0.000 0.608 373 P HA 0.197 nan 4.420 nan 0.000 0.271 373 P C 0.272 177.564 177.300 -0.013 0.000 1.233 373 P CA 0.556 63.612 63.100 -0.073 0.000 0.764 373 P CB 0.630 32.319 31.700 -0.019 0.000 0.825 374 G N 3.032 111.836 108.800 0.007 0.000 2.144 374 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 374 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 374 G C 0.934 175.866 174.900 0.053 0.000 0.988 374 G CA 0.107 45.238 45.100 0.052 0.000 0.659 374 G HN 0.642 nan 8.290 nan 0.000 0.522 375 A N -0.026 122.797 122.820 0.006 0.000 2.167 375 A HA 0.530 4.850 4.320 -0.000 0.000 0.214 375 A C 2.559 180.242 177.584 0.164 0.000 1.151 375 A CA 2.018 54.093 52.037 0.063 0.000 0.735 375 A CB -0.444 18.543 19.000 -0.021 0.000 0.802 375 A HN 2.485 nan 8.150 nan 0.000 0.467 376 G N -0.713 108.132 108.800 0.075 0.000 2.132 376 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.234 376 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.234 376 G C 0.823 175.717 174.900 -0.010 0.000 0.989 376 G CA 0.687 45.844 45.100 0.096 0.000 0.676 376 G HN 0.510 nan 8.290 nan 0.000 0.522 377 K N 0.418 120.630 120.400 -0.313 0.000 1.978 377 K HA -0.054 4.266 4.320 -0.000 0.000 0.214 377 K C 2.690 179.255 176.600 -0.058 0.000 1.049 377 K CA 1.728 57.666 56.287 -0.581 0.000 0.939 377 K CB -0.404 31.656 32.500 -0.733 0.000 0.721 377 K HN 0.292 nan 8.250 nan 0.000 0.441 378 S N 0.660 116.350 115.700 -0.016 0.000 2.374 378 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 378 S C 2.075 176.705 174.600 0.049 0.000 1.037 378 S CA 1.988 60.218 58.200 0.051 0.000 1.024 378 S CB -0.502 62.736 63.200 0.062 0.000 0.861 378 S HN 0.377 nan 8.310 nan 0.000 0.456 379 T N 1.346 115.944 114.554 0.074 0.000 2.746 379 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 379 T C 1.438 176.198 174.700 0.099 0.000 1.039 379 T CA 1.193 63.326 62.100 0.056 0.000 1.142 379 T CB -0.449 68.460 68.868 0.068 0.000 0.866 379 T HN 0.428 nan 8.240 nan 0.000 0.444 380 F N 1.587 121.601 119.950 0.106 0.000 2.134 380 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 380 F C 1.929 177.873 175.800 0.240 0.000 1.097 380 F CA 0.953 59.114 58.000 0.268 0.000 1.264 380 F CB -0.180 39.104 39.000 0.474 0.000 1.001 380 F HN 0.007 nan 8.300 nan 0.000 0.479 381 I N 0.235 121.037 120.570 0.387 0.000 2.179 381 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 381 I C 2.366 178.462 176.117 -0.035 0.000 1.088 381 I CA 1.231 62.654 61.300 0.205 0.000 1.357 381 I CB -1.597 36.503 38.000 0.166 0.000 1.051 381 I HN 0.257 nan 8.210 nan 0.000 0.409 382 Q N 0.413 120.143 119.800 -0.117 0.000 2.096 382 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 382 Q C 2.163 178.044 176.000 -0.198 0.000 0.982 382 Q CA 1.636 57.324 55.803 -0.192 0.000 0.850 382 Q CB -0.222 28.404 28.738 -0.187 0.000 0.901 382 Q HN 0.615 nan 8.270 nan 0.000 0.422 383 E N -0.600 119.437 120.200 -0.272 0.000 2.046 383 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 383 E C 1.410 177.732 176.600 -0.463 0.000 0.982 383 E CA 0.881 57.020 56.400 -0.434 0.000 0.800 383 E CB 0.070 29.377 29.700 -0.656 0.000 0.756 383 E HN 0.505 nan 8.360 nan 0.000 0.449 384 H N -1.367 117.535 119.070 -0.281 0.000 2.520 384 H HA 0.116 4.672 4.556 -0.000 0.000 0.279 384 H C 1.390 176.603 175.328 -0.192 0.000 0.990 384 H CA 0.632 56.514 56.048 -0.278 0.000 1.288 384 H CB 0.600 30.056 29.762 -0.511 0.000 1.446 384 H HN 0.097 nan 8.280 nan 0.000 0.538 385 L N -1.196 119.969 121.223 -0.097 0.000 2.541 385 L HA 0.052 4.392 4.340 -0.000 0.000 0.187 385 L C 2.104 178.970 176.870 -0.008 0.000 1.098 385 L CA 0.248 54.964 54.840 -0.208 0.000 0.846 385 L CB -0.201 41.594 42.059 -0.439 0.000 1.151 385 L HN 0.003 nan 8.230 nan 0.000 0.492 386 V N -0.171 119.730 119.914 -0.022 0.000 2.343 386 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 386 V C 2.474 178.579 176.094 0.018 0.000 1.051 386 V CA 2.001 64.313 62.300 0.021 0.000 1.036 386 V CB -1.022 30.745 31.823 -0.094 0.000 0.654 386 V HN 0.608 nan 8.190 nan 0.000 0.451 387 S N 0.743 116.423 115.700 -0.033 0.000 2.555 387 S HA 0.147 4.617 4.470 -0.000 0.000 0.230 387 S C 1.636 176.239 174.600 0.006 0.000 0.978 387 S CA 0.777 58.960 58.200 -0.029 0.000 0.934 387 S CB -0.144 63.013 63.200 -0.072 0.000 0.766 387 S HN 0.571 nan 8.310 nan 0.000 0.533 388 A N 0.374 123.220 122.820 0.043 0.000 2.345 388 A HA 0.670 4.990 4.320 -0.000 0.000 0.225 388 A C 1.531 179.201 177.584 0.143 0.000 1.243 388 A CA 0.234 52.322 52.037 0.086 0.000 0.875 388 A CB -0.533 18.525 19.000 0.096 0.000 0.929 388 A HN 1.321 nan 8.150 nan 0.000 0.502 389 G N -2.259 106.624 108.800 0.138 0.000 2.205 389 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.180 389 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.180 389 G C -0.120 174.839 174.900 0.097 0.000 1.004 389 G CA -0.241 44.917 45.100 0.096 0.000 0.670 389 G HN 0.267 nan 8.290 nan 0.000 0.496 390 Y N 0.712 121.015 120.300 0.005 0.000 2.346 390 Y HA 0.463 5.013 4.550 -0.000 0.000 0.330 390 Y C 1.170 177.087 175.900 0.030 0.000 1.178 390 Y CA -0.316 57.791 58.100 0.012 0.000 1.331 390 Y CB 1.317 39.781 38.460 0.006 0.000 1.253 390 Y HN 0.032 nan 8.280 nan 0.000 0.529 391 V N 4.462 124.455 119.914 0.131 0.000 2.508 391 V HA -0.018 4.102 4.120 -0.000 0.000 0.281 391 V C 0.240 176.445 176.094 0.185 0.000 1.041 391 V CA -0.416 61.955 62.300 0.118 0.000 1.016 391 V CB -0.013 31.841 31.823 0.053 0.000 0.984 391 V HN 0.707 nan 8.190 nan 0.000 0.478 392 H N 4.595 123.698 119.070 0.055 0.000 2.723 392 H HA 0.432 4.988 4.556 -0.000 0.000 0.294 392 H C -1.071 174.272 175.328 0.025 0.000 1.079 392 H CA -0.585 55.488 56.048 0.042 0.000 1.411 392 H CB 1.314 31.096 29.762 0.033 0.000 1.439 392 H HN 0.446 nan 8.280 nan 0.000 0.474 393 V N 7.234 127.034 119.914 -0.190 0.000 2.334 393 V HA 0.134 4.254 4.120 -0.000 0.000 0.281 393 V C 0.066 175.943 176.094 -0.361 0.000 1.016 393 V CA -0.766 61.398 62.300 -0.228 0.000 0.832 393 V CB 1.120 32.882 31.823 -0.103 0.000 0.999 393 V HN 0.763 nan 8.190 nan 0.000 0.439 394 N N 4.200 122.674 118.700 -0.378 0.000 2.346 394 N HA 0.334 5.074 4.740 -0.000 0.000 0.289 394 N C 0.721 176.163 175.510 -0.114 0.000 1.027 394 N CA -0.643 52.231 53.050 -0.294 0.000 0.864 394 N CB 2.377 40.622 38.487 -0.403 0.000 1.370 394 N HN 0.529 nan 8.380 nan 0.000 0.481 395 R N 2.245 122.720 120.500 -0.042 0.000 2.148 395 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 395 R C -0.068 176.241 176.300 0.015 0.000 1.088 395 R CA 1.044 57.155 56.100 0.019 0.000 0.985 395 R CB 0.234 30.579 30.300 0.074 0.000 0.880 395 R HN 0.583 nan 8.270 nan 0.000 0.451 396 D N -0.742 119.662 120.400 0.007 0.000 2.348 396 D HA -0.051 4.589 4.640 -0.000 0.000 0.216 396 D C 1.099 177.402 176.300 0.005 0.000 0.970 396 D CA 1.089 55.097 54.000 0.012 0.000 0.889 396 D CB 0.270 41.080 40.800 0.016 0.000 0.912 396 D HN 0.252 nan 8.370 nan 0.000 0.524 397 T N -0.472 114.078 114.554 -0.007 0.000 3.023 397 T HA 0.187 4.537 4.350 -0.000 0.000 0.249 397 T C 2.067 176.761 174.700 -0.011 0.000 1.050 397 T CA -0.026 62.070 62.100 -0.006 0.000 1.088 397 T CB 0.491 69.355 68.868 -0.008 0.000 0.946 397 T HN 0.060 nan 8.240 nan 0.000 0.480 398 L N 0.360 121.573 121.223 -0.016 0.000 2.354 398 L HA 0.344 4.684 4.340 -0.000 0.000 0.212 398 L C 2.219 179.082 176.870 -0.012 0.000 1.091 398 L CA 0.772 55.603 54.840 -0.015 0.000 0.828 398 L CB -0.157 41.893 42.059 -0.015 0.000 0.973 398 L HN 0.524 nan 8.230 nan 0.000 0.461 399 G N -0.034 108.765 108.800 -0.002 0.000 2.234 399 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.235 399 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.235 399 G C 0.285 175.181 174.900 -0.007 0.000 0.997 399 G CA 0.196 45.294 45.100 -0.004 0.000 0.623 399 G HN 0.510 nan 8.290 nan 0.000 0.514 400 S N -0.951 114.741 115.700 -0.013 0.000 2.587 400 S HA 0.564 5.034 4.470 -0.000 0.000 0.269 400 S C 0.662 175.270 174.600 0.013 0.000 1.154 400 S CA 0.045 58.215 58.200 -0.049 0.000 0.824 400 S CB 0.204 63.288 63.200 -0.194 0.000 1.118 400 S HN 1.205 nan 8.310 nan 0.000 0.462 401 W N 1.434 122.768 121.300 0.057 0.000 2.436 401 W HA -0.036 4.625 4.660 0.000 0.000 0.284 401 W C 1.426 177.986 176.519 0.067 0.000 1.225 401 W CA 1.293 58.694 57.345 0.092 0.000 1.271 401 W CB -1.103 28.404 29.460 0.079 0.000 1.114 401 W HN 0.865 nan 8.180 nan 0.000 0.559 402 Q N 1.455 120.837 119.800 -0.696 0.000 2.124 402 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 402 Q C 2.006 177.898 176.000 -0.180 0.000 0.977 402 Q CA 1.456 56.898 55.803 -0.602 0.000 0.850 402 Q CB -1.007 27.221 28.738 -0.851 0.000 0.901 402 Q HN 0.228 nan 8.270 nan 0.000 0.429 403 R N 0.712 121.130 120.500 -0.138 0.000 2.115 403 R HA 0.016 4.356 4.340 -0.000 0.000 0.230 403 R C 2.268 178.590 176.300 0.036 0.000 1.111 403 R CA 1.228 57.300 56.100 -0.046 0.000 0.976 403 R CB -0.697 29.572 30.300 -0.051 0.000 0.870 403 R HN 0.366 nan 8.270 nan 0.000 0.445 404 C N -1.240 118.128 119.300 0.114 0.000 2.453 404 C HA -0.016 4.444 4.460 -0.000 0.000 0.277 404 C C 2.518 177.681 174.990 0.288 0.000 1.262 404 C CA 0.646 59.787 59.018 0.204 0.000 1.718 404 C CB -0.700 27.238 27.740 0.329 0.000 2.031 404 C HN 0.278 nan 8.230 nan 0.000 0.480 405 V N 0.344 120.447 119.914 0.315 0.000 2.295 405 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 405 V C 2.638 178.815 176.094 0.137 0.000 1.049 405 V CA 2.420 64.865 62.300 0.242 0.000 1.024 405 V CB -0.995 30.936 31.823 0.181 0.000 0.648 405 V HN 0.633 nan 8.190 nan 0.000 0.447 406 S N -0.359 115.389 115.700 0.079 0.000 2.365 406 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 406 S C 2.271 176.898 174.600 0.045 0.000 1.039 406 S CA 2.237 60.460 58.200 0.039 0.000 1.033 406 S CB -0.349 62.851 63.200 0.001 0.000 0.887 406 S HN 0.611 nan 8.310 nan 0.000 0.447 407 S N -0.120 115.611 115.700 0.051 0.000 2.382 407 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 407 S C 2.113 176.746 174.600 0.054 0.000 1.027 407 S CA 1.111 59.336 58.200 0.041 0.000 0.991 407 S CB -0.759 62.459 63.200 0.029 0.000 0.823 407 S HN 0.766 nan 8.310 nan 0.000 0.469 408 C N 1.772 121.127 119.300 0.091 0.000 2.432 408 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 408 C C 2.655 177.691 174.990 0.076 0.000 1.249 408 C CA 1.074 60.154 59.018 0.103 0.000 1.725 408 C CB -1.386 26.472 27.740 0.196 0.000 2.028 408 C HN 0.591 nan 8.230 nan 0.000 0.477 409 Q N 0.436 120.280 119.800 0.072 0.000 2.084 409 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 409 Q C 2.506 178.524 176.000 0.030 0.000 0.978 409 Q CA 1.894 57.725 55.803 0.047 0.000 0.844 409 Q CB -0.360 28.402 28.738 0.041 0.000 0.898 409 Q HN 0.783 nan 8.270 nan 0.000 0.426 410 A N 1.131 123.968 122.820 0.028 0.000 1.877 410 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 410 A C 2.296 179.887 177.584 0.013 0.000 1.186 410 A CA 1.670 53.717 52.037 0.017 0.000 0.620 410 A CB -0.866 18.143 19.000 0.015 0.000 0.822 410 A HN 0.401 nan 8.150 nan 0.000 0.443 411 A N -0.630 122.200 122.820 0.017 0.000 1.969 411 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 411 A C 2.120 179.704 177.584 -0.001 0.000 1.169 411 A CA 1.288 53.329 52.037 0.008 0.000 0.635 411 A CB -0.479 18.528 19.000 0.013 0.000 0.810 411 A HN 0.469 nan 8.150 nan 0.000 0.445 412 L N -1.157 120.071 121.223 0.007 0.000 2.109 412 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 412 L C 2.709 179.578 176.870 -0.002 0.000 1.086 412 L CA 0.918 55.759 54.840 0.001 0.000 0.760 412 L CB -0.374 41.694 42.059 0.014 0.000 0.910 412 L HN 0.339 nan 8.230 nan 0.000 0.437 413 R N -0.103 120.399 120.500 0.003 0.000 2.193 413 R HA -0.151 4.189 4.340 -0.000 0.000 0.229 413 R C 1.697 177.994 176.300 -0.004 0.000 1.110 413 R CA 0.891 56.991 56.100 0.001 0.000 0.988 413 R CB -0.152 30.150 30.300 0.003 0.000 0.871 413 R HN 0.487 nan 8.270 nan 0.000 0.458 414 Q N -0.460 119.336 119.800 -0.006 0.000 2.365 414 Q HA 0.113 4.453 4.340 -0.000 0.000 0.203 414 Q C 0.561 176.550 176.000 -0.018 0.000 0.929 414 Q CA 0.314 56.111 55.803 -0.010 0.000 0.948 414 Q CB 0.955 29.688 28.738 -0.008 0.000 1.043 414 Q HN 0.477 nan 8.270 nan 0.000 0.505 415 G N 1.666 110.454 108.800 -0.020 0.000 2.225 415 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 415 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 415 G C -0.189 174.681 174.900 -0.051 0.000 1.024 415 G CA 0.301 45.383 45.100 -0.030 0.000 0.784 415 G HN 0.185 nan 8.290 nan 0.000 0.507 416 K N -0.456 119.909 120.400 -0.058 0.000 2.123 416 K HA 0.535 4.855 4.320 -0.000 0.000 0.248 416 K C 0.619 177.133 176.600 -0.143 0.000 0.969 416 K CA -0.913 55.318 56.287 -0.095 0.000 0.882 416 K CB 1.408 33.869 32.500 -0.065 0.000 1.080 416 K HN 0.233 nan 8.250 nan 0.000 0.441 417 R N 0.818 121.148 120.500 -0.283 0.000 2.357 417 R HA 0.273 4.613 4.340 -0.000 0.000 0.296 417 R C -0.108 176.021 176.300 -0.286 0.000 1.052 417 R CA -0.640 55.187 56.100 -0.455 0.000 0.988 417 R CB 1.073 30.691 30.300 -1.138 0.000 1.025 417 R HN 0.412 nan 8.270 nan 0.000 0.469 418 V N 0.075 119.960 119.914 -0.048 0.000 2.769 418 V HA 0.713 4.833 4.120 -0.000 0.000 0.312 418 V C -0.566 175.667 176.094 0.232 0.000 1.061 418 V CA -0.788 61.578 62.300 0.110 0.000 0.931 418 V CB 2.247 34.104 31.823 0.057 0.000 1.010 418 V HN 0.445 nan 8.190 nan 0.000 0.433 419 V N 5.004 125.035 119.914 0.195 0.000 2.448 419 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 419 V C -0.192 175.905 176.094 0.006 0.000 1.025 419 V CA -0.611 61.741 62.300 0.087 0.000 0.859 419 V CB 1.395 33.273 31.823 0.090 0.000 0.988 419 V HN 0.775 nan 8.190 nan 0.000 0.431 420 I N 3.265 123.781 120.570 -0.090 0.000 2.281 420 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 420 I C 0.299 176.344 176.117 -0.119 0.000 1.085 420 I CA 0.168 61.332 61.300 -0.225 0.000 1.257 420 I CB 0.592 38.261 38.000 -0.551 0.000 1.430 420 I HN 0.674 nan 8.210 nan 0.000 0.489 421 D N 6.184 126.537 120.400 -0.079 0.000 2.741 421 D HA 0.167 4.807 4.640 -0.000 0.000 0.233 421 D C -0.181 176.102 176.300 -0.028 0.000 1.160 421 D CA 0.030 54.031 54.000 0.002 0.000 1.003 421 D CB 0.127 41.008 40.800 0.134 0.000 1.064 421 D HN 0.342 nan 8.370 nan 0.000 0.503 422 N N -0.931 117.753 118.700 -0.026 0.000 2.653 422 N HA 0.208 4.948 4.740 -0.000 0.000 0.294 422 N C 1.373 176.914 175.510 0.051 0.000 1.305 422 N CA -0.415 52.645 53.050 0.017 0.000 0.827 422 N CB 0.901 39.412 38.487 0.039 0.000 1.415 422 N HN 0.099 nan 8.380 nan 0.000 0.546 423 T N -2.174 112.437 114.554 0.095 0.000 2.777 423 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 423 T C 0.166 175.038 174.700 0.287 0.000 1.040 423 T CA 0.554 62.754 62.100 0.167 0.000 1.141 423 T CB -0.373 68.633 68.868 0.230 0.000 0.868 423 T HN 0.533 nan 8.240 nan 0.000 0.444 424 N N 2.178 121.007 118.700 0.215 0.000 2.669 424 N HA -0.102 4.638 4.740 -0.000 0.000 0.266 424 N C -2.280 173.321 175.510 0.152 0.000 1.024 424 N CA 0.880 54.042 53.050 0.187 0.000 0.766 424 N CB -0.707 37.896 38.487 0.194 0.000 0.898 424 N HN 0.429 nan 8.380 nan 0.000 0.548 425 P HA -0.039 nan 4.420 nan 0.000 0.221 425 P C 0.243 177.403 177.300 -0.232 0.000 1.155 425 P CA 1.254 64.249 63.100 -0.174 0.000 0.812 425 P CB 0.295 31.733 31.700 -0.438 0.000 0.801 426 D N -1.851 118.462 120.400 -0.144 0.000 2.419 426 D HA 0.102 4.742 4.640 -0.000 0.000 0.234 426 D C 1.151 177.389 176.300 -0.103 0.000 1.014 426 D CA -0.962 52.943 54.000 -0.159 0.000 0.919 426 D CB 1.559 42.276 40.800 -0.138 0.000 1.366 426 D HN -0.272 nan 8.370 nan 0.000 0.490 427 V N 0.959 120.806 119.914 -0.110 0.000 2.282 427 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 427 V C -0.804 175.231 176.094 -0.098 0.000 1.057 427 V CA 2.092 64.343 62.300 -0.082 0.000 1.032 427 V CB -1.570 30.202 31.823 -0.085 0.000 0.645 427 V HN 0.585 nan 8.190 nan 0.000 0.447 428 P HA -0.128 nan 4.420 nan 0.000 0.216 428 P C 1.996 179.167 177.300 -0.216 0.000 1.150 428 P CA 1.845 64.840 63.100 -0.174 0.000 0.843 428 P CB -0.101 31.490 31.700 -0.182 0.000 0.787 429 S N -0.586 115.019 115.700 -0.160 0.000 2.356 429 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 429 S C 1.856 176.445 174.600 -0.018 0.000 1.032 429 S CA 1.208 59.338 58.200 -0.116 0.000 1.005 429 S CB -0.593 62.607 63.200 0.000 0.000 0.867 429 S HN 0.223 nan 8.310 nan 0.000 0.449 430 R N 1.310 121.849 120.500 0.065 0.000 2.115 430 R HA 0.128 4.468 4.340 -0.000 0.000 0.226 430 R C 2.516 178.817 176.300 0.001 0.000 1.100 430 R CA 0.936 57.145 56.100 0.183 0.000 0.980 430 R CB -0.463 29.984 30.300 0.245 0.000 0.875 430 R HN 0.374 nan 8.270 nan 0.000 0.445 431 A N 1.779 124.529 122.820 -0.116 0.000 1.948 431 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 431 A C 2.099 179.558 177.584 -0.209 0.000 1.177 431 A CA 1.391 53.325 52.037 -0.172 0.000 0.636 431 A CB -0.380 18.520 19.000 -0.168 0.000 0.815 431 A HN 0.232 nan 8.150 nan 0.000 0.449 432 R N -1.646 118.658 120.500 -0.326 0.000 2.083 432 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 432 R C 1.966 178.034 176.300 -0.387 0.000 1.137 432 R CA 2.123 57.956 56.100 -0.444 0.000 0.951 432 R CB -0.539 29.323 30.300 -0.730 0.000 0.851 432 R HN 0.747 nan 8.270 nan 0.000 0.434 433 Y N -0.103 120.196 120.300 -0.002 0.000 2.395 433 Y HA 0.022 4.571 4.550 -0.000 0.000 0.293 433 Y C 2.102 177.994 175.900 -0.014 0.000 1.123 433 Y CA 0.325 58.439 58.100 0.023 0.000 1.227 433 Y CB -0.127 38.373 38.460 0.067 0.000 1.012 433 Y HN -0.020 nan 8.280 nan 0.000 0.552 434 I N -0.047 120.530 120.570 0.012 0.000 2.226 434 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 434 I C 2.474 178.546 176.117 -0.075 0.000 1.100 434 I CA 1.346 62.579 61.300 -0.112 0.000 1.374 434 I CB -0.226 37.590 38.000 -0.307 0.000 1.057 434 I HN 0.200 nan 8.210 nan 0.000 0.413 435 Q N 0.597 120.349 119.800 -0.080 0.000 2.124 435 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 435 Q C 2.311 178.298 176.000 -0.023 0.000 0.977 435 Q CA 1.992 57.758 55.803 -0.062 0.000 0.850 435 Q CB -0.447 28.244 28.738 -0.078 0.000 0.901 435 Q HN 0.536 nan 8.270 nan 0.000 0.429 436 C N -0.224 119.078 119.300 0.003 0.000 2.425 436 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 436 C C 2.699 177.710 174.990 0.036 0.000 1.280 436 C CA 0.634 59.673 59.018 0.036 0.000 1.744 436 C CB -1.520 26.273 27.740 0.088 0.000 1.989 436 C HN 0.661 nan 8.230 nan 0.000 0.491 437 A N 0.448 123.291 122.820 0.039 0.000 1.902 437 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 437 A C 2.226 179.818 177.584 0.013 0.000 1.181 437 A CA 1.526 53.583 52.037 0.034 0.000 0.623 437 A CB -0.456 18.570 19.000 0.043 0.000 0.818 437 A HN 0.658 nan 8.150 nan 0.000 0.443 438 K N -0.392 120.006 120.400 -0.003 0.000 2.002 438 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 438 K C 1.598 178.195 176.600 -0.004 0.000 1.048 438 K CA 1.636 57.917 56.287 -0.010 0.000 0.930 438 K CB -0.325 32.160 32.500 -0.025 0.000 0.714 438 K HN 0.403 nan 8.250 nan 0.000 0.438 439 D N 0.350 120.749 120.400 -0.002 0.000 2.149 439 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 439 D C 1.564 177.867 176.300 0.005 0.000 0.990 439 D CA 1.356 55.356 54.000 0.001 0.000 0.839 439 D CB -0.104 40.698 40.800 0.003 0.000 0.948 439 D HN 0.249 nan 8.370 nan 0.000 0.460 440 A N -0.462 122.364 122.820 0.009 0.000 2.178 440 A HA 0.407 4.727 4.320 -0.000 0.000 0.211 440 A C 1.736 179.325 177.584 0.007 0.000 1.157 440 A CA 1.033 53.076 52.037 0.009 0.000 0.780 440 A CB -0.155 18.853 19.000 0.014 0.000 0.828 440 A HN 0.257 nan 8.150 nan 0.000 0.476 441 G N -0.590 108.214 108.800 0.007 0.000 2.198 441 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.257 441 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.257 441 G C 0.243 175.150 174.900 0.012 0.000 1.042 441 G CA 0.599 45.703 45.100 0.007 0.000 0.791 441 G HN 1.761 nan 8.290 nan 0.000 0.502 442 V N -3.105 116.818 119.914 0.016 0.000 2.769 442 V HA 0.952 5.072 4.120 -0.000 0.000 0.312 442 V C -1.910 174.205 176.094 0.035 0.000 1.058 442 V CA -2.794 59.520 62.300 0.022 0.000 0.952 442 V CB 1.941 33.775 31.823 0.019 0.000 1.019 442 V HN 0.058 nan 8.190 nan 0.000 0.445 443 P HA 0.354 nan 4.420 nan 0.000 0.274 443 P C -0.924 176.433 177.300 0.094 0.000 1.237 443 P CA -0.283 62.856 63.100 0.066 0.000 0.793 443 P CB 0.699 32.443 31.700 0.074 0.000 0.977 444 C N 3.358 122.733 119.300 0.126 0.000 2.340 444 C HA 0.537 4.997 4.460 -0.000 0.000 0.323 444 C C -0.193 175.016 174.990 0.365 0.000 1.260 444 C CA -0.391 58.749 59.018 0.202 0.000 1.464 444 C CB -0.216 27.603 27.740 0.132 0.000 2.156 444 C HN 0.533 nan 8.230 nan 0.000 0.476 445 R N 3.092 123.785 120.500 0.321 0.000 2.832 445 R HA 0.692 5.032 4.340 -0.000 0.000 0.271 445 R C -1.088 175.270 176.300 0.097 0.000 0.996 445 R CA -0.464 55.788 56.100 0.253 0.000 0.977 445 R CB 1.763 32.171 30.300 0.180 0.000 1.168 445 R HN 0.737 nan 8.270 nan 0.000 0.482 446 C N 2.333 121.509 119.300 -0.207 0.000 2.379 446 C HA 0.596 5.055 4.460 -0.000 0.000 0.323 446 C C -1.158 173.890 174.990 0.096 0.000 1.262 446 C CA -0.643 58.147 59.018 -0.381 0.000 1.581 446 C CB 0.036 27.045 27.740 -1.218 0.000 2.221 446 C HN 0.647 nan 8.230 nan 0.000 0.497 447 F N 5.454 125.297 119.950 -0.179 0.000 2.293 447 F HA 0.355 4.882 4.527 -0.000 0.000 0.370 447 F C 0.477 176.183 175.800 -0.158 0.000 1.090 447 F CA -0.557 57.317 58.000 -0.210 0.000 1.133 447 F CB 0.363 39.279 39.000 -0.140 0.000 1.360 447 F HN 0.613 nan 8.300 nan 0.000 0.489 448 N N 3.856 122.492 118.700 -0.107 0.000 2.469 448 N HA 0.193 4.933 4.740 -0.000 0.000 0.239 448 N C -1.031 174.426 175.510 -0.088 0.000 1.053 448 N CA -0.242 52.809 53.050 0.002 0.000 0.937 448 N CB 0.054 38.541 38.487 0.001 0.000 1.163 448 N HN 0.101 nan 8.380 nan 0.000 0.509 449 F N 2.034 121.981 119.950 -0.004 0.000 2.472 449 F HA 0.152 4.679 4.527 -0.000 0.000 0.364 449 F C 1.439 177.244 175.800 0.010 0.000 1.090 449 F CA -0.629 57.349 58.000 -0.036 0.000 1.188 449 F CB 0.487 39.472 39.000 -0.024 0.000 1.105 449 F HN 0.472 nan 8.300 nan 0.000 0.536 450 C N 2.943 122.311 119.300 0.114 0.000 2.613 450 C HA 0.402 4.862 4.460 -0.000 0.000 0.273 450 C C 1.403 176.416 174.990 0.038 0.000 1.304 450 C CA -0.615 58.443 59.018 0.066 0.000 1.702 450 C CB -1.982 25.769 27.740 0.018 0.000 1.792 450 C HN 0.834 nan 8.230 nan 0.000 0.588 451 A N 2.224 125.083 122.820 0.064 0.000 2.546 451 A HA 0.394 4.714 4.320 -0.000 0.000 0.243 451 A C 0.925 178.353 177.584 -0.259 0.000 1.063 451 A CA 0.664 52.586 52.037 -0.191 0.000 0.757 451 A CB 0.082 18.966 19.000 -0.194 0.000 0.991 451 A HN 0.654 nan 8.150 nan 0.000 0.503 452 T N 0.750 115.033 114.554 -0.451 0.000 2.816 452 T HA 0.342 4.692 4.350 -0.000 0.000 0.282 452 T C 1.364 175.575 174.700 -0.815 0.000 0.993 452 T CA 0.021 61.845 62.100 -0.460 0.000 0.994 452 T CB 0.541 69.195 68.868 -0.357 0.000 1.025 452 T HN 0.579 nan 8.240 nan 0.000 0.529 453 I N 0.446 120.432 120.570 -0.973 0.000 2.264 453 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 453 I C 2.259 177.953 176.117 -0.705 0.000 1.111 453 I CA 1.718 62.277 61.300 -1.235 0.000 1.382 453 I CB -0.126 37.336 38.000 -0.898 0.000 1.060 453 I HN 0.778 nan 8.210 nan 0.000 0.418 454 E N 0.154 120.069 120.200 -0.475 0.000 2.152 454 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 454 E C 2.155 178.528 176.600 -0.378 0.000 0.983 454 E CA 0.962 57.196 56.400 -0.278 0.000 0.818 454 E CB -0.080 29.559 29.700 -0.102 0.000 0.758 454 E HN 0.584 nan 8.360 nan 0.000 0.467 455 Q N -0.081 119.272 119.800 -0.745 0.000 2.083 455 Q HA -0.003 4.337 4.340 -0.000 0.000 0.198 455 Q C 2.201 177.733 176.000 -0.781 0.000 0.969 455 Q CA 1.218 56.311 55.803 -1.183 0.000 0.838 455 Q CB -0.086 27.581 28.738 -1.784 0.000 0.900 455 Q HN 0.304 nan 8.270 nan 0.000 0.436 456 A N 0.951 123.379 122.820 -0.653 0.000 1.930 456 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 456 A C 1.960 179.426 177.584 -0.196 0.000 1.175 456 A CA 1.034 52.851 52.037 -0.366 0.000 0.627 456 A CB -0.289 18.477 19.000 -0.390 0.000 0.815 456 A HN 0.163 nan 8.150 nan 0.000 0.443 457 R N -1.628 118.734 120.500 -0.230 0.000 2.081 457 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 457 R C 2.214 178.508 176.300 -0.011 0.000 1.131 457 R CA 1.702 57.743 56.100 -0.100 0.000 0.960 457 R CB -0.454 29.784 30.300 -0.103 0.000 0.856 457 R HN 0.832 nan 8.270 nan 0.000 0.436 458 H N 0.294 119.316 119.070 -0.080 0.000 2.353 458 H HA -0.056 4.500 4.556 -0.000 0.000 0.300 458 H C 1.800 177.120 175.328 -0.014 0.000 1.090 458 H CA 2.052 58.093 56.048 -0.012 0.000 1.327 458 H CB -0.152 29.668 29.762 0.096 0.000 1.383 458 H HN 0.199 nan 8.280 nan 0.000 0.508 459 N N -0.750 117.985 118.700 0.059 0.000 2.188 459 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 459 N C 1.301 176.847 175.510 0.061 0.000 1.018 459 N CA 0.829 53.968 53.050 0.148 0.000 0.858 459 N CB 0.070 38.749 38.487 0.321 0.000 0.989 459 N HN 0.396 nan 8.380 nan 0.000 0.426 460 N N 1.094 119.803 118.700 0.014 0.000 2.120 460 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 460 N C 1.599 177.065 175.510 -0.074 0.000 1.024 460 N CA 0.879 53.928 53.050 -0.001 0.000 0.852 460 N CB -0.286 38.248 38.487 0.078 0.000 1.003 460 N HN 0.271 nan 8.380 nan 0.000 0.424 461 R N -0.416 120.044 120.500 -0.066 0.000 2.096 461 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 461 R C 2.003 178.233 176.300 -0.117 0.000 1.127 461 R CA 0.900 56.950 56.100 -0.082 0.000 0.968 461 R CB -0.367 29.884 30.300 -0.082 0.000 0.861 461 R HN 0.199 nan 8.270 nan 0.000 0.440 462 F N 1.417 121.176 119.950 -0.317 0.000 2.146 462 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 462 F C 2.147 177.841 175.800 -0.177 0.000 1.096 462 F CA 1.448 59.289 58.000 -0.265 0.000 1.275 462 F CB 0.015 38.829 39.000 -0.309 0.000 1.008 462 F HN -0.188 nan 8.300 nan 0.000 0.480 463 R N 0.394 120.760 120.500 -0.224 0.000 2.081 463 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 463 R C 1.117 177.149 176.300 -0.447 0.000 1.131 463 R CA 0.967 56.802 56.100 -0.442 0.000 0.960 463 R CB -0.487 29.369 30.300 -0.741 0.000 0.856 463 R HN 0.372 nan 8.270 nan 0.000 0.436 467 D N 3.107 123.410 120.400 -0.162 0.000 2.414 467 D HA 0.570 5.210 4.640 -0.000 0.000 0.232 467 D C -2.072 174.226 176.300 -0.002 0.000 1.070 467 D CA -2.304 51.661 54.000 -0.059 0.000 0.839 467 D CB 2.193 42.977 40.800 -0.026 0.000 1.079 467 D HN 0.006 nan 8.370 nan 0.000 0.521 468 P HA -0.004 nan 4.420 nan 0.000 0.233 468 P C 0.539 177.858 177.300 0.033 0.000 1.167 468 P CA 0.511 63.619 63.100 0.013 0.000 0.770 468 P CB 0.241 31.941 31.700 -0.000 0.000 0.837 469 S N -2.881 112.846 115.700 0.045 0.000 2.540 469 S HA 0.051 4.521 4.470 -0.000 0.000 0.218 469 S C 0.536 175.174 174.600 0.062 0.000 0.977 469 S CA -0.371 57.855 58.200 0.042 0.000 0.918 469 S CB -1.152 62.066 63.200 0.031 0.000 0.806 469 S HN 0.194 nan 8.310 nan 0.000 0.496 470 H N 2.581 121.649 119.070 -0.004 0.000 2.819 470 H HA 0.565 5.121 4.556 -0.000 0.000 0.303 470 H C 0.256 175.589 175.328 0.008 0.000 1.058 470 H CA -0.003 56.047 56.048 0.003 0.000 1.471 470 H CB 0.380 30.141 29.762 -0.003 0.000 1.480 470 H HN 0.334 nan 8.280 nan 0.000 0.517 471 A N 6.793 129.319 122.820 -0.490 0.000 2.451 471 A HA 0.262 4.582 4.320 -0.000 0.000 0.266 471 A C -2.255 175.011 177.584 -0.531 0.000 1.119 471 A CA -1.373 50.439 52.037 -0.375 0.000 0.786 471 A CB -0.357 18.508 19.000 -0.224 0.000 1.061 471 A HN 0.706 nan 8.150 nan 0.000 0.503 472 P HA 0.220 nan 4.420 nan 0.000 0.271 472 P C -0.605 176.681 177.300 -0.022 0.000 1.233 472 P CA -0.061 63.011 63.100 -0.047 0.000 0.764 472 P CB 0.796 32.508 31.700 0.019 0.000 0.825 473 V N 3.976 123.917 119.914 0.046 0.000 2.389 473 V HA 0.129 4.249 4.120 -0.000 0.000 0.264 473 V C 1.036 177.174 176.094 0.074 0.000 1.049 473 V CA -0.210 62.123 62.300 0.056 0.000 0.932 473 V CB 0.119 31.991 31.823 0.082 0.000 1.011 473 V HN 0.659 nan 8.190 nan 0.000 0.475 474 S N 3.539 119.282 115.700 0.072 0.000 2.608 474 S HA 0.277 4.747 4.470 -0.000 0.000 0.261 474 S C -0.037 174.640 174.600 0.128 0.000 1.314 474 S CA -0.803 57.451 58.200 0.090 0.000 0.992 474 S CB 0.867 64.114 63.200 0.079 0.000 0.935 474 S HN 0.638 nan 8.310 nan 0.000 0.564 480 S N -0.183 115.690 115.700 0.290 0.000 2.383 480 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 480 S C 1.901 176.592 174.600 0.151 0.000 1.026 480 S CA 1.716 60.031 58.200 0.192 0.000 0.981 480 S CB -0.312 62.983 63.200 0.158 0.000 0.818 480 S HN 0.452 nan 8.310 nan 0.000 0.472 481 Y N 2.138 122.460 120.300 0.037 0.000 2.145 481 Y HA -0.058 4.492 4.550 -0.000 0.000 0.286 481 Y C 2.525 178.361 175.900 -0.107 0.000 1.145 481 Y CA 2.129 60.178 58.100 -0.084 0.000 1.148 481 Y CB -0.349 37.964 38.460 -0.245 0.000 0.981 481 Y HN 0.156 nan 8.280 nan 0.000 0.507 482 R N 0.604 121.152 120.500 0.081 0.000 2.120 482 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 482 R C 2.400 178.746 176.300 0.076 0.000 1.123 482 R CA 1.685 57.831 56.100 0.077 0.000 0.975 482 R CB -0.219 30.225 30.300 0.240 0.000 0.866 482 R HN 0.326 nan 8.270 nan 0.000 0.446 483 K N 0.197 120.652 120.400 0.093 0.000 2.103 483 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 483 K C 1.772 178.379 176.600 0.012 0.000 1.052 483 K CA 1.340 57.673 56.287 0.075 0.000 0.945 483 K CB 0.164 32.720 32.500 0.094 0.000 0.722 483 K HN 0.280 nan 8.250 nan 0.000 0.443 484 Q N -0.531 119.240 119.800 -0.049 0.000 2.389 484 Q HA -0.014 4.326 4.340 -0.000 0.000 0.204 484 Q C -0.004 175.900 176.000 -0.159 0.000 0.944 484 Q CA -0.103 55.639 55.803 -0.102 0.000 0.908 484 Q CB 0.097 28.763 28.738 -0.120 0.000 1.002 484 Q HN 0.157 nan 8.270 nan 0.000 0.493 485 F N 2.585 122.314 119.950 -0.369 0.000 2.578 485 F HA -0.026 4.501 4.527 -0.000 0.000 0.381 485 F C -0.164 175.518 175.800 -0.197 0.000 1.069 485 F CA 0.356 58.109 58.000 -0.411 0.000 1.231 485 F CB 0.427 39.128 39.000 -0.498 0.000 1.086 485 F HN -0.131 nan 8.300 nan 0.000 0.564 486 E N 7.410 127.068 120.200 -0.904 0.000 2.234 486 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 486 E C -2.544 173.442 176.600 -1.024 0.000 0.877 486 E CA -2.298 53.681 56.400 -0.702 0.000 0.758 486 E CB 1.471 30.959 29.700 -0.354 0.000 1.170 486 E HN 0.343 nan 8.360 nan 0.000 0.415 487 P HA 0.085 nan 4.420 nan 0.000 0.267 487 P C -2.502 174.672 177.300 -0.210 0.000 1.205 487 P CA -1.133 61.732 63.100 -0.392 0.000 0.765 487 P CB -0.149 31.510 31.700 -0.069 0.000 0.828 488 P HA 0.090 nan 4.420 nan 0.000 0.267 488 P C -0.206 177.113 177.300 0.032 0.000 1.209 488 P CA 0.233 63.328 63.100 -0.007 0.000 0.763 488 P CB 0.202 31.883 31.700 -0.031 0.000 0.816 489 T N -0.245 114.366 114.554 0.095 0.000 2.942 489 T HA 0.415 4.765 4.350 -0.000 0.000 0.289 489 T C 1.028 175.837 174.700 0.182 0.000 1.044 489 T CA -0.883 61.273 62.100 0.093 0.000 1.023 489 T CB 0.893 69.789 68.868 0.047 0.000 1.123 489 T HN 0.065 nan 8.240 nan 0.000 0.512 490 L N 0.819 122.123 121.223 0.134 0.000 2.376 490 L HA 0.126 4.466 4.340 -0.000 0.000 0.219 490 L C 2.910 179.843 176.870 0.104 0.000 1.133 490 L CA 0.913 55.846 54.840 0.156 0.000 0.816 490 L CB -0.661 41.459 42.059 0.102 0.000 0.933 490 L HN 0.965 nan 8.230 nan 0.000 0.449 491 A N -0.095 122.765 122.820 0.066 0.000 2.019 491 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 491 A C 2.169 179.752 177.584 -0.003 0.000 1.164 491 A CA 1.378 53.430 52.037 0.025 0.000 0.644 491 A CB -0.288 18.720 19.000 0.013 0.000 0.805 491 A HN 0.460 nan 8.150 nan 0.000 0.449 492 E N -1.636 118.567 120.200 0.005 0.000 2.077 492 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 492 E C 1.370 177.861 176.600 -0.181 0.000 0.989 492 E CA 0.935 57.284 56.400 -0.085 0.000 0.800 492 E CB -0.144 29.508 29.700 -0.080 0.000 0.746 492 E HN 0.726 nan 8.360 nan 0.000 0.452 493 G N -0.369 108.321 108.800 -0.183 0.000 3.290 493 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.220 493 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.220 493 G C -0.184 174.611 174.900 -0.176 0.000 0.940 493 G CA -0.746 44.241 45.100 -0.188 0.000 0.884 493 G HN 0.064 nan 8.290 nan 0.000 0.649 494 F N 0.706 120.672 119.950 0.027 0.000 2.471 494 F HA 0.442 4.969 4.527 -0.000 0.000 0.353 494 F C 1.659 177.481 175.800 0.037 0.000 1.113 494 F CA -0.503 57.521 58.000 0.039 0.000 1.262 494 F CB 1.215 40.243 39.000 0.047 0.000 1.146 494 F HN 0.049 nan 8.300 nan 0.000 0.578 495 L N 2.113 123.487 121.223 0.252 0.000 1.994 495 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 495 L C 0.547 177.502 176.870 0.141 0.000 1.071 495 L CA 1.787 56.720 54.840 0.155 0.000 0.745 495 L CB -0.393 41.743 42.059 0.128 0.000 0.892 495 L HN 0.759 nan 8.230 nan 0.000 0.431 496 E N -1.506 118.784 120.200 0.150 0.000 2.430 496 E HA 0.475 4.825 4.350 -0.000 0.000 0.279 496 E C -1.217 175.401 176.600 0.030 0.000 1.003 496 E CA -0.819 55.633 56.400 0.087 0.000 0.801 496 E CB 1.149 30.887 29.700 0.062 0.000 1.313 496 E HN 0.105 nan 8.360 nan 0.000 0.459 497 I N 1.812 122.367 120.570 -0.025 0.000 2.436 497 I HA 0.335 4.505 4.170 -0.000 0.000 0.289 497 I C -0.636 175.420 176.117 -0.101 0.000 1.010 497 I CA -0.903 60.330 61.300 -0.111 0.000 1.098 497 I CB 1.453 39.371 38.000 -0.137 0.000 1.266 497 I HN 0.354 nan 8.210 nan 0.000 0.434 498 L N 5.687 126.811 121.223 -0.164 0.000 2.317 498 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 498 L C -0.145 176.542 176.870 -0.306 0.000 1.024 498 L CA -0.851 53.833 54.840 -0.261 0.000 0.810 498 L CB 1.369 43.113 42.059 -0.525 0.000 1.240 498 L HN 0.500 nan 8.230 nan 0.000 0.427 499 E N 3.739 123.803 120.200 -0.227 0.000 2.200 499 E HA 0.363 4.712 4.350 -0.000 0.000 0.283 499 E C -0.872 175.537 176.600 -0.318 0.000 1.015 499 E CA -0.538 55.728 56.400 -0.223 0.000 0.819 499 E CB 2.421 32.049 29.700 -0.120 0.000 1.081 499 E HN 0.315 nan 8.360 nan 0.000 0.397 500 I N 5.449 125.741 120.570 -0.463 0.000 2.359 500 I HA 0.194 4.364 4.170 -0.000 0.000 0.284 500 I C -2.317 173.625 176.117 -0.292 0.000 1.018 500 I CA -2.130 58.831 61.300 -0.566 0.000 1.173 500 I CB 1.182 38.415 38.000 -1.279 0.000 1.326 500 I HN 0.140 nan 8.210 nan 0.000 0.462 501 P HA 0.050 nan 4.420 nan 0.000 0.272 501 P C -0.620 176.696 177.300 0.026 0.000 1.223 501 P CA -0.254 62.821 63.100 -0.043 0.000 0.784 501 P CB 0.401 32.073 31.700 -0.047 0.000 0.923 502 F N 3.796 123.711 119.950 -0.058 0.000 2.445 502 F HA 0.324 4.851 4.527 -0.000 0.000 0.359 502 F C 0.693 176.476 175.800 -0.027 0.000 1.101 502 F CA 0.325 58.300 58.000 -0.041 0.000 1.177 502 F CB 0.341 39.283 39.000 -0.096 0.000 1.110 502 F HN 0.196 nan 8.300 nan 0.000 0.522 503 R N 4.021 124.218 120.500 -0.504 0.000 2.867 503 R HA 0.527 4.867 4.340 -0.000 0.000 0.268 503 R C -1.587 174.407 176.300 -0.509 0.000 1.014 503 R CA -1.367 54.529 56.100 -0.339 0.000 0.946 503 R CB 1.604 31.799 30.300 -0.174 0.000 1.208 503 R HN 0.644 nan 8.270 nan 0.000 0.477 504 L N 1.564 122.587 121.223 -0.333 0.000 2.453 504 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 504 L C -0.395 176.257 176.870 -0.363 0.000 1.182 504 L CA 0.548 55.133 54.840 -0.426 0.000 0.858 504 L CB 0.674 42.564 42.059 -0.282 0.000 1.120 504 L HN 0.448 nan 8.230 nan 0.000 0.474 505 Q N 3.653 123.191 119.800 -0.437 0.000 2.271 505 Q HA 0.010 4.350 4.340 -0.000 0.000 0.273 505 Q C 0.713 176.621 176.000 -0.154 0.000 1.051 505 Q CA 0.364 56.034 55.803 -0.223 0.000 0.901 505 Q CB 0.663 29.290 28.738 -0.185 0.000 1.174 505 Q HN 0.709 nan 8.270 nan 0.000 0.385 506 E N 1.817 121.957 120.200 -0.100 0.000 2.150 506 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 506 E C 0.900 177.374 176.600 -0.210 0.000 0.985 506 E CA 0.694 56.988 56.400 -0.177 0.000 0.814 506 E CB 0.161 29.717 29.700 -0.241 0.000 0.752 506 E HN 0.617 nan 8.360 nan 0.000 0.466 507 H N 0.143 119.174 119.070 -0.064 0.000 2.556 507 H HA 0.103 4.659 4.556 -0.000 0.000 0.268 507 H C 0.745 176.054 175.328 -0.032 0.000 0.996 507 H CA 0.203 56.224 56.048 -0.046 0.000 1.157 507 H CB 0.136 29.871 29.762 -0.046 0.000 1.355 507 H HN 0.097 nan 8.280 nan 0.000 0.597 508 L N 1.555 122.802 121.223 0.039 0.000 2.439 508 L HA -0.022 4.318 4.340 -0.000 0.000 0.269 508 L C 0.615 177.501 176.870 0.028 0.000 1.179 508 L CA -0.156 54.706 54.840 0.037 0.000 0.828 508 L CB 0.593 42.643 42.059 -0.015 0.000 1.106 508 L HN 0.068 nan 8.230 nan 0.000 0.467 509 D N 3.068 123.501 120.400 0.055 0.000 2.423 509 D HA 0.036 4.676 4.640 -0.000 0.000 0.238 509 D C -1.553 174.771 176.300 0.039 0.000 1.142 509 D CA -0.978 53.048 54.000 0.045 0.000 0.884 509 D CB 1.146 41.981 40.800 0.059 0.000 1.199 509 D HN 0.204 nan 8.370 nan 0.000 0.438 510 P HA -0.181 nan 4.420 nan 0.000 0.216 510 P C 0.603 177.926 177.300 0.039 0.000 1.150 510 P CA 1.719 64.831 63.100 0.019 0.000 0.843 510 P CB 0.098 31.805 31.700 0.011 0.000 0.787 511 A N -1.160 121.691 122.820 0.051 0.000 1.968 511 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 511 A C 2.110 179.759 177.584 0.110 0.000 1.169 511 A CA 1.099 53.177 52.037 0.067 0.000 0.638 511 A CB -1.396 17.638 19.000 0.057 0.000 0.812 511 A HN 0.136 nan 8.150 nan 0.000 0.446 512 L N -1.075 120.231 121.223 0.139 0.000 2.341 512 L HA -0.100 4.240 4.340 -0.000 0.000 0.214 512 L C 2.634 179.655 176.870 0.252 0.000 1.115 512 L CA 0.655 55.652 54.840 0.261 0.000 0.820 512 L CB -0.328 41.909 42.059 0.297 0.000 0.944 512 L HN 0.455 nan 8.230 nan 0.000 0.452 513 Q N -0.259 119.609 119.800 0.114 0.000 2.123 513 Q HA -0.175 4.165 4.340 -0.000 0.000 0.199 513 Q C 2.234 178.281 176.000 0.079 0.000 0.966 513 Q CA 1.024 56.854 55.803 0.046 0.000 0.845 513 Q CB 0.019 28.750 28.738 -0.012 0.000 0.907 513 Q HN 0.317 nan 8.270 nan 0.000 0.439 514 R N 0.371 120.917 120.500 0.078 0.000 2.091 514 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 514 R C 2.086 178.443 176.300 0.095 0.000 1.136 514 R CA 1.069 57.207 56.100 0.064 0.000 0.959 514 R CB -0.184 30.149 30.300 0.055 0.000 0.856 514 R HN 0.171 nan 8.270 nan 0.000 0.437 515 L N -0.503 120.821 121.223 0.169 0.000 2.109 515 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 515 L C 1.788 178.806 176.870 0.247 0.000 1.086 515 L CA 1.624 56.599 54.840 0.226 0.000 0.760 515 L CB -0.629 41.620 42.059 0.316 0.000 0.910 515 L HN 0.199 nan 8.230 nan 0.000 0.437 516 Y N 0.613 120.948 120.300 0.059 0.000 2.181 516 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 516 Y C 1.593 177.490 175.900 -0.005 0.000 1.146 516 Y CA 1.356 59.349 58.100 -0.180 0.000 1.164 516 Y CB 0.049 38.213 38.460 -0.493 0.000 0.982 516 Y HN 0.078 nan 8.280 nan 0.000 0.515 517 R N 1.528 122.098 120.500 0.118 0.000 4.464 517 R HA 0.105 4.445 4.340 -0.000 0.000 0.229 517 R C -0.671 175.544 176.300 -0.141 0.000 1.916 517 R CA 0.163 56.246 56.100 -0.028 0.000 1.601 517 R CB -0.365 29.915 30.300 -0.032 0.000 1.315 517 R HN 0.407 nan 8.270 nan 0.000 0.725 518 Q N 0.018 119.744 119.800 -0.124 0.000 2.389 518 Q HA 0.282 4.622 4.340 -0.000 0.000 0.277 518 Q C -1.006 174.923 176.000 -0.120 0.000 1.082 518 Q CA -0.950 54.774 55.803 -0.131 0.000 0.810 518 Q CB 1.994 30.726 28.738 -0.010 0.000 1.374 518 Q HN 0.139 nan 8.270 nan 0.000 0.422 519 F N 0.911 120.835 119.950 -0.043 0.000 2.541 519 F HA -0.009 4.518 4.527 -0.000 0.000 0.378 519 F C 1.297 177.123 175.800 0.042 0.000 1.068 519 F CA 0.529 58.520 58.000 -0.015 0.000 1.199 519 F CB 0.751 39.713 39.000 -0.063 0.000 1.091 519 F HN 0.559 nan 8.300 nan 0.000 0.555 520 S N 0.584 116.435 115.700 0.253 0.000 2.458 520 S HA 0.004 4.474 4.470 -0.000 0.000 0.223 520 S C 0.207 174.880 174.600 0.121 0.000 1.019 520 S CA 0.329 58.608 58.200 0.132 0.000 0.937 520 S CB 0.012 63.224 63.200 0.020 0.000 0.788 520 S HN 0.576 nan 8.310 nan 0.000 0.511 521 E N -0.087 120.205 120.200 0.153 0.000 2.356 521 E HA 0.595 4.945 4.350 -0.000 0.000 0.275 521 E C -0.105 176.546 176.600 0.085 0.000 0.904 521 E CA -0.368 56.094 56.400 0.104 0.000 0.757 521 E CB 1.327 31.081 29.700 0.090 0.000 1.232 521 E HN 0.114 nan 8.360 nan 0.000 0.442 522 G N 0.000 108.827 108.800 0.045 0.000 5.446 522 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 522 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 522 G CA 0.000 45.101 45.100 0.001 0.000 0.502 522 G HN 0.000 nan 8.290 nan 0.000 0.925