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 1iy1_1_A DATA FIRST_RESID 152 DATA SEQUENCE KVTFKDVAGA EEAKEELKEI VEFLKNPSRF HEMGARIPKG VLLVGPPGVG DATA SEQUENCE KTHLARAVAG EARVPFITAS GSDFVEMFVG VGAARVRDLF ETAKRHAPCI DATA SEQUENCE VFIDEIDAVG RXXXXXXXXX NDEREQTLNQ LLVEMDGFEK DTAIVVMAAT DATA SEQUENCE NRPDILDPAL LRPGRFDRQI AIDAPDVKGR EQILRIHARG KPLAEDVDLA DATA SEQUENCE LLAKRTPGFV GADLENLLNE AALLAAREGR RKITMKDLEE AS 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 152 K HA 0.000 nan 4.320 nan 0.000 0.191 152 K C 0.000 176.564 176.600 -0.060 0.000 0.988 152 K CA 0.000 56.257 56.287 -0.051 0.000 0.838 152 K CB 0.000 32.481 32.500 -0.032 0.000 1.064 153 V N 3.606 123.462 119.914 -0.098 0.000 2.407 153 V HA 0.665 4.785 4.120 0.000 0.000 0.278 153 V C 0.665 176.690 176.094 -0.115 0.000 1.037 153 V CA 0.264 62.493 62.300 -0.119 0.000 0.900 153 V CB 0.954 32.648 31.823 -0.215 0.000 0.983 153 V HN 0.673 nan 8.190 nan 0.000 0.459 154 T N 0.700 115.219 114.554 -0.058 0.000 2.807 154 T HA 0.511 4.861 4.350 0.000 0.000 0.277 154 T C 0.692 175.479 174.700 0.145 0.000 1.006 154 T CA -0.580 61.513 62.100 -0.011 0.000 1.006 154 T CB 1.103 69.945 68.868 -0.043 0.000 1.274 154 T HN 0.250 nan 8.240 nan 0.000 0.569 155 F N 0.592 120.485 119.950 -0.095 0.000 2.583 155 F HA 0.065 4.592 4.527 0.000 0.000 0.297 155 F C 2.830 178.600 175.800 -0.049 0.000 1.131 155 F CA 0.310 58.264 58.000 -0.076 0.000 1.467 155 F CB -0.273 38.698 39.000 -0.048 0.000 1.097 155 F HN 0.778 nan 8.300 nan 0.000 0.586 156 K N -0.142 120.339 120.400 0.135 0.000 2.186 156 K HA -0.092 4.228 4.320 0.000 0.000 0.202 156 K C 1.095 177.729 176.600 0.056 0.000 1.052 156 K CA 1.412 57.743 56.287 0.073 0.000 0.965 156 K CB -0.627 31.899 32.500 0.043 0.000 0.746 156 K HN 0.147 nan 8.250 nan 0.000 0.457 157 D N 0.144 120.575 120.400 0.052 0.000 2.328 157 D HA 0.098 4.738 4.640 0.000 0.000 0.226 157 D C -0.444 175.948 176.300 0.153 0.000 1.066 157 D CA 0.210 54.257 54.000 0.078 0.000 0.861 157 D CB 0.363 41.200 40.800 0.060 0.000 0.912 157 D HN 0.199 nan 8.370 nan 0.000 0.521 158 V N 1.260 121.215 119.914 0.067 0.000 2.334 158 V HA 0.517 4.637 4.120 0.000 0.000 0.281 158 V C 0.225 176.338 176.094 0.031 0.000 1.016 158 V CA -1.349 60.985 62.300 0.056 0.000 0.832 158 V CB 1.320 33.073 31.823 -0.116 0.000 0.999 158 V HN 0.084 nan 8.190 nan 0.000 0.439 159 A N 4.646 127.496 122.820 0.050 0.000 2.410 159 A HA 0.709 5.029 4.320 0.000 0.000 0.292 159 A C 1.059 178.643 177.584 -0.000 0.000 1.232 159 A CA 0.749 52.798 52.037 0.019 0.000 0.893 159 A CB -0.625 18.385 19.000 0.016 0.000 1.131 159 A HN 1.910 nan 8.150 nan 0.000 0.530 160 G N 1.821 110.613 108.800 -0.014 0.000 2.484 160 G HA2 0.350 4.310 3.960 0.000 0.000 0.225 160 G HA3 0.350 4.310 3.960 0.000 0.000 0.225 160 G C 0.711 175.576 174.900 -0.058 0.000 1.250 160 G CA 0.952 46.037 45.100 -0.024 0.000 0.926 160 G HN 2.569 nan 8.290 nan 0.000 0.581 161 A N -2.452 120.335 122.820 -0.054 0.000 2.800 161 A HA 0.304 4.624 4.320 0.000 0.000 0.292 161 A C 2.055 179.582 177.584 -0.094 0.000 1.474 161 A CA 2.393 54.379 52.037 -0.084 0.000 0.744 161 A CB -2.316 16.601 19.000 -0.138 0.000 1.044 161 A HN 2.790 nan 8.150 nan 0.000 0.489 162 E N -0.006 120.164 120.200 -0.050 0.000 2.013 162 E HA -0.268 4.082 4.350 0.000 0.000 0.202 162 E C 1.470 178.054 176.600 -0.027 0.000 1.018 162 E CA 2.263 58.645 56.400 -0.031 0.000 0.834 162 E CB -0.689 29.006 29.700 -0.009 0.000 0.770 162 E HN 0.954 nan 8.360 nan 0.000 0.459 163 E N 0.212 120.402 120.200 -0.015 0.000 2.058 163 E HA 0.016 4.366 4.350 0.000 0.000 0.194 163 E C 2.335 178.929 176.600 -0.010 0.000 0.997 163 E CA 1.435 57.834 56.400 -0.002 0.000 0.801 163 E CB -0.443 29.260 29.700 0.005 0.000 0.746 163 E HN 0.572 nan 8.360 nan 0.000 0.450 164 A N 1.386 124.184 122.820 -0.038 0.000 1.884 164 A HA -0.333 3.987 4.320 0.000 0.000 0.219 164 A C 1.957 179.490 177.584 -0.084 0.000 1.197 164 A CA 2.212 54.216 52.037 -0.055 0.000 0.637 164 A CB -0.530 18.416 19.000 -0.090 0.000 0.827 164 A HN 0.142 nan 8.150 nan 0.000 0.450 165 K N -0.704 119.586 120.400 -0.183 0.000 2.097 165 K HA -0.066 4.254 4.320 0.000 0.000 0.206 165 K C 2.367 179.033 176.600 0.110 0.000 1.049 165 K CA 1.468 57.626 56.287 -0.214 0.000 0.933 165 K CB -0.335 31.945 32.500 -0.367 0.000 0.717 165 K HN 0.658 nan 8.250 nan 0.000 0.442 166 E N 2.208 122.445 120.200 0.062 0.000 2.017 166 E HA -0.234 4.116 4.350 0.000 0.000 0.193 166 E C 1.723 178.384 176.600 0.101 0.000 0.997 166 E CA 1.688 58.142 56.400 0.090 0.000 0.804 166 E CB -0.750 28.983 29.700 0.055 0.000 0.757 166 E HN 0.563 nan 8.360 nan 0.000 0.448 167 E N -0.213 120.032 120.200 0.076 0.000 2.338 167 E HA 0.026 4.376 4.350 0.000 0.000 0.197 167 E C 1.860 178.524 176.600 0.107 0.000 1.007 167 E CA 0.708 57.156 56.400 0.079 0.000 0.849 167 E CB -0.046 29.689 29.700 0.058 0.000 0.774 167 E HN 0.448 nan 8.360 nan 0.000 0.506 168 L N 0.063 121.373 121.223 0.145 0.000 2.628 168 L HA 0.074 4.414 4.340 0.000 0.000 0.229 168 L C 2.393 179.409 176.870 0.243 0.000 1.137 168 L CA 0.047 55.011 54.840 0.206 0.000 0.909 168 L CB -0.045 42.168 42.059 0.257 0.000 1.137 168 L HN 0.073 nan 8.230 nan 0.000 0.470 169 K N 0.390 120.912 120.400 0.203 0.000 2.044 169 K HA -0.162 4.158 4.320 0.000 0.000 0.204 169 K C 1.829 178.506 176.600 0.128 0.000 1.049 169 K CA 1.438 57.819 56.287 0.158 0.000 0.945 169 K CB -0.560 32.026 32.500 0.143 0.000 0.724 169 K HN 0.392 nan 8.250 nan 0.000 0.440 170 E N -0.116 120.163 120.200 0.132 0.000 2.114 170 E HA -0.186 4.164 4.350 0.000 0.000 0.199 170 E C 1.957 178.603 176.600 0.077 0.000 1.008 170 E CA 1.427 57.909 56.400 0.137 0.000 0.810 170 E CB -0.085 29.684 29.700 0.115 0.000 0.739 170 E HN 0.443 nan 8.360 nan 0.000 0.456 171 I N 0.504 121.124 120.570 0.083 0.000 2.202 171 I HA -0.219 3.951 4.170 0.000 0.000 0.242 171 I C 2.462 178.638 176.117 0.098 0.000 1.091 171 I CA 0.783 62.142 61.300 0.098 0.000 1.368 171 I CB -1.069 37.008 38.000 0.127 0.000 1.058 171 I HN 0.114 nan 8.210 nan 0.000 0.410 172 V N 1.389 121.341 119.914 0.063 0.000 2.233 172 V HA -0.306 3.814 4.120 0.000 0.000 0.247 172 V C 3.079 179.162 176.094 -0.018 0.000 1.050 172 V CA 2.681 64.969 62.300 -0.020 0.000 1.010 172 V CB -1.587 30.163 31.823 -0.122 0.000 0.637 172 V HN 0.572 nan 8.190 nan 0.000 0.444 173 E N -0.046 120.180 120.200 0.044 0.000 2.049 173 E HA -0.365 3.985 4.350 0.000 0.000 0.198 173 E C 1.967 178.599 176.600 0.053 0.000 1.007 173 E CA 1.968 58.446 56.400 0.130 0.000 0.809 173 E CB -1.044 28.845 29.700 0.315 0.000 0.749 173 E HN 0.643 nan 8.360 nan 0.000 0.450 174 F N 0.952 120.658 119.950 -0.407 0.000 2.091 174 F HA -0.159 4.368 4.527 0.000 0.000 0.299 174 F C 2.134 177.752 175.800 -0.304 0.000 1.103 174 F CA 1.746 59.241 58.000 -0.843 0.000 1.228 174 F CB -0.185 38.246 39.000 -0.948 0.000 0.984 174 F HN 0.165 nan 8.300 nan 0.000 0.477 175 L N 0.626 121.582 121.223 -0.446 0.000 2.141 175 L HA -0.163 4.177 4.340 0.000 0.000 0.209 175 L C 2.240 178.928 176.870 -0.304 0.000 1.094 175 L CA 1.659 56.243 54.840 -0.426 0.000 0.763 175 L CB -1.389 40.591 42.059 -0.132 0.000 0.908 175 L HN 0.276 nan 8.230 nan 0.000 0.437 176 K N 0.271 120.557 120.400 -0.189 0.000 2.062 176 K HA -0.061 4.259 4.320 0.000 0.000 0.205 176 K C 1.070 177.612 176.600 -0.098 0.000 1.051 176 K CA 1.363 57.584 56.287 -0.111 0.000 0.941 176 K CB -0.259 32.207 32.500 -0.056 0.000 0.719 176 K HN 0.452 nan 8.250 nan 0.000 0.440 177 N N 1.698 120.354 118.700 -0.074 0.000 2.733 177 N HA 0.120 4.860 4.740 0.000 0.000 0.271 177 N C -2.173 173.341 175.510 0.006 0.000 1.720 177 N CA -1.187 51.856 53.050 -0.013 0.000 0.803 177 N CB 0.255 38.781 38.487 0.065 0.000 1.208 177 N HN -0.086 nan 8.380 nan 0.000 0.498 178 P HA -0.217 nan 4.420 nan 0.000 0.218 178 P C 1.571 178.909 177.300 0.065 0.000 1.148 178 P CA 1.993 64.894 63.100 -0.331 0.000 0.822 178 P CB 0.084 31.424 31.700 -0.599 0.000 0.784 179 S N -0.220 115.501 115.700 0.034 0.000 2.399 179 S HA -0.170 4.300 4.470 0.000 0.000 0.231 179 S C 2.455 177.118 174.600 0.104 0.000 1.022 179 S CA 1.467 59.706 58.200 0.065 0.000 0.983 179 S CB -1.579 61.635 63.200 0.024 0.000 0.803 179 S HN 0.187 nan 8.310 nan 0.000 0.480 180 R N 1.032 121.608 120.500 0.127 0.000 2.073 180 R HA 0.113 4.453 4.340 0.000 0.000 0.234 180 R C 1.979 178.327 176.300 0.079 0.000 1.134 180 R CA 1.849 57.994 56.100 0.074 0.000 0.952 180 R CB -2.017 28.309 30.300 0.044 0.000 0.850 180 R HN 0.581 nan 8.270 nan 0.000 0.433 181 F N 0.395 120.404 119.950 0.098 0.000 2.365 181 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 181 F C 2.976 178.850 175.800 0.122 0.000 1.090 181 F CA 1.377 59.467 58.000 0.149 0.000 1.408 181 F CB -0.802 38.389 39.000 0.317 0.000 1.060 181 F HN 0.625 nan 8.300 nan 0.000 0.534 182 H N -0.314 118.925 119.070 0.281 0.000 2.333 182 H HA -0.010 4.546 4.556 0.000 0.000 0.302 182 H C 1.983 177.372 175.328 0.102 0.000 1.075 182 H CA 1.547 57.700 56.048 0.175 0.000 1.348 182 H CB -0.947 28.896 29.762 0.136 0.000 1.393 182 H HN 0.353 nan 8.280 nan 0.000 0.509 183 E N -0.774 119.471 120.200 0.074 0.000 2.204 183 E HA -0.092 4.258 4.350 0.000 0.000 0.195 183 E C 1.896 178.507 176.600 0.017 0.000 0.990 183 E CA 1.143 57.564 56.400 0.034 0.000 0.821 183 E CB -0.031 29.680 29.700 0.017 0.000 0.750 183 E HN 0.547 nan 8.360 nan 0.000 0.477 184 M N -0.673 118.933 119.600 0.009 0.000 2.595 184 M HA 0.150 4.630 4.480 0.000 0.000 0.248 184 M C 1.088 177.395 176.300 0.011 0.000 1.119 184 M CA 0.760 56.048 55.300 -0.019 0.000 1.079 184 M CB 0.439 32.984 32.600 -0.092 0.000 1.472 184 M HN 0.197 nan 8.290 nan 0.000 0.501 185 G N -0.055 108.771 108.800 0.044 0.000 2.153 185 G HA2 -0.200 3.760 3.960 0.000 0.000 0.252 185 G HA3 -0.200 3.760 3.960 0.000 0.000 0.252 185 G C 0.223 175.160 174.900 0.061 0.000 0.994 185 G CA 0.263 45.392 45.100 0.048 0.000 0.698 185 G HN 0.883 nan 8.290 nan 0.000 0.521 186 A N -0.532 122.345 122.820 0.095 0.000 2.327 186 A HA 0.936 5.257 4.320 0.000 0.000 0.283 186 A C 0.547 178.214 177.584 0.138 0.000 1.127 186 A CA 0.995 53.107 52.037 0.126 0.000 0.810 186 A CB 0.565 19.668 19.000 0.171 0.000 1.066 186 A HN 1.914 nan 8.150 nan 0.000 0.492 187 R N 2.428 122.972 120.500 0.073 0.000 2.387 187 R HA 0.628 4.968 4.340 0.000 0.000 0.314 187 R C -0.707 175.560 176.300 -0.056 0.000 0.958 187 R CA -0.542 55.556 56.100 -0.002 0.000 0.846 187 R CB 0.509 30.806 30.300 -0.005 0.000 1.147 187 R HN 0.687 nan 8.270 nan 0.000 0.447 188 I N 3.910 124.356 120.570 -0.206 0.000 2.488 188 I HA 0.363 4.533 4.170 0.000 0.000 0.299 188 I C -1.418 174.577 176.117 -0.203 0.000 0.984 188 I CA -2.656 58.480 61.300 -0.274 0.000 1.250 188 I CB 1.693 39.297 38.000 -0.659 0.000 1.389 188 I HN 0.448 nan 8.210 nan 0.000 0.488 189 P HA -0.169 nan 4.420 nan 0.000 0.217 189 P C 0.327 177.575 177.300 -0.086 0.000 1.151 189 P CA 1.351 64.403 63.100 -0.079 0.000 0.849 189 P CB 0.121 31.798 31.700 -0.037 0.000 0.787 190 K N -2.276 118.067 120.400 -0.096 0.000 2.971 190 K HA -0.166 4.154 4.320 0.000 0.000 0.265 190 K C 0.374 176.951 176.600 -0.038 0.000 1.052 190 K CA 0.717 56.990 56.287 -0.023 0.000 0.780 190 K CB -2.092 30.436 32.500 0.047 0.000 1.214 190 K HN 0.442 nan 8.250 nan 0.000 0.478 191 G N 0.350 109.103 108.800 -0.078 0.000 2.460 191 G HA2 0.443 4.403 3.960 0.000 0.000 0.299 191 G HA3 0.443 4.403 3.960 0.000 0.000 0.299 191 G C -0.943 173.990 174.900 0.054 0.000 1.592 191 G CA -0.518 44.456 45.100 -0.211 0.000 1.008 191 G HN 0.030 nan 8.290 nan 0.000 0.513 192 V N 2.904 122.962 119.914 0.241 0.000 2.384 192 V HA 0.554 4.674 4.120 0.000 0.000 0.287 192 V C -0.300 176.000 176.094 0.344 0.000 1.020 192 V CA -0.916 61.546 62.300 0.270 0.000 0.850 192 V CB 1.634 33.574 31.823 0.196 0.000 0.987 192 V HN 0.634 nan 8.190 nan 0.000 0.436 193 L N 6.800 128.180 121.223 0.262 0.000 2.272 193 L HA 0.570 4.910 4.340 0.000 0.000 0.289 193 L C -0.539 176.385 176.870 0.091 0.000 1.032 193 L CA 0.108 55.019 54.840 0.118 0.000 0.810 193 L CB 1.035 43.118 42.059 0.041 0.000 1.205 193 L HN 0.536 nan 8.230 nan 0.000 0.422 194 L N 6.310 127.588 121.223 0.093 0.000 2.265 194 L HA 0.495 4.835 4.340 0.000 0.000 0.288 194 L C -0.609 176.293 176.870 0.054 0.000 1.058 194 L CA -0.688 54.208 54.840 0.093 0.000 0.809 194 L CB 1.306 43.453 42.059 0.146 0.000 1.179 194 L HN 0.333 nan 8.230 nan 0.000 0.429 195 V N 2.522 122.459 119.914 0.039 0.000 2.459 195 V HA 0.947 5.067 4.120 0.000 0.000 0.295 195 V C 0.437 176.545 176.094 0.024 0.000 1.029 195 V CA -0.373 61.940 62.300 0.022 0.000 0.874 195 V CB 1.300 33.131 31.823 0.013 0.000 0.985 195 V HN 0.969 nan 8.190 nan 0.000 0.438 196 G N 5.038 113.850 108.800 0.020 0.000 2.325 196 G HA2 0.479 4.439 3.960 0.000 0.000 0.297 196 G HA3 0.479 4.439 3.960 0.000 0.000 0.297 196 G C -3.561 171.349 174.900 0.017 0.000 1.448 196 G CA -0.841 44.271 45.100 0.019 0.000 0.838 196 G HN 0.490 nan 8.290 nan 0.000 0.579 197 P HA 0.290 nan 4.420 nan 0.000 0.270 197 P C -2.432 174.877 177.300 0.015 0.000 1.227 197 P CA -0.746 62.358 63.100 0.006 0.000 0.788 197 P CB 0.001 31.700 31.700 -0.001 0.000 0.926 198 P HA 0.133 nan 4.420 nan 0.000 0.272 198 P C 0.316 177.628 177.300 0.020 0.000 1.223 198 P CA 0.707 63.818 63.100 0.017 0.000 0.784 198 P CB 0.134 31.837 31.700 0.005 0.000 0.923 199 G N 1.068 109.888 108.800 0.033 0.000 2.350 199 G HA2 -0.202 3.758 3.960 0.000 0.000 0.298 199 G HA3 -0.202 3.758 3.960 0.000 0.000 0.298 199 G C 0.422 175.343 174.900 0.035 0.000 1.037 199 G CA 0.104 45.225 45.100 0.035 0.000 1.074 199 G HN 0.455 nan 8.290 nan 0.000 0.511 200 V N -0.996 118.941 119.914 0.039 0.000 3.562 200 V HA 0.560 4.680 4.120 0.000 0.000 0.270 200 V C 1.951 178.069 176.094 0.041 0.000 1.418 200 V CA 1.437 63.759 62.300 0.036 0.000 1.033 200 V CB 0.536 32.379 31.823 0.033 0.000 0.820 200 V HN 2.054 nan 8.190 nan 0.000 0.441 201 G N 0.663 109.495 108.800 0.053 0.000 2.154 201 G HA2 -0.193 3.767 3.960 0.000 0.000 0.186 201 G HA3 -0.193 3.767 3.960 0.000 0.000 0.186 201 G C 0.731 175.681 174.900 0.083 0.000 1.000 201 G CA 0.373 45.520 45.100 0.078 0.000 0.664 201 G HN 0.400 nan 8.290 nan 0.000 0.513 202 K N -0.159 120.292 120.400 0.085 0.000 2.057 202 K HA -0.049 4.271 4.320 0.000 0.000 0.207 202 K C 2.475 179.101 176.600 0.045 0.000 1.049 202 K CA 1.814 58.165 56.287 0.105 0.000 0.931 202 K CB -0.278 32.325 32.500 0.173 0.000 0.714 202 K HN 0.317 nan 8.250 nan 0.000 0.440 203 T N 0.084 114.655 114.554 0.028 0.000 2.821 203 T HA -0.148 4.202 4.350 0.000 0.000 0.267 203 T C 1.701 176.265 174.700 -0.227 0.000 1.046 203 T CA 1.414 63.365 62.100 -0.248 0.000 1.139 203 T CB -0.313 68.547 68.868 -0.013 0.000 0.871 203 T HN 0.332 nan 8.240 nan 0.000 0.454 204 H N 0.925 119.894 119.070 -0.168 0.000 2.357 204 H HA 0.044 4.600 4.556 0.000 0.000 0.301 204 H C 2.013 177.223 175.328 -0.196 0.000 1.082 204 H CA 1.121 57.067 56.048 -0.171 0.000 1.342 204 H CB -0.512 29.192 29.762 -0.097 0.000 1.389 204 H HN 0.188 nan 8.280 nan 0.000 0.511 205 L N 0.300 121.411 121.223 -0.188 0.000 2.027 205 L HA 0.021 4.361 4.340 0.000 0.000 0.206 205 L C 2.437 179.182 176.870 -0.208 0.000 1.074 205 L CA 1.991 56.692 54.840 -0.230 0.000 0.745 205 L CB -1.350 40.628 42.059 -0.136 0.000 0.898 205 L HN 0.345 nan 8.230 nan 0.000 0.433 206 A N -0.255 122.442 122.820 -0.205 0.000 1.865 206 A HA -0.279 4.041 4.320 0.000 0.000 0.217 206 A C 2.557 179.880 177.584 -0.435 0.000 1.191 206 A CA 1.986 53.933 52.037 -0.150 0.000 0.623 206 A CB -0.735 18.136 19.000 -0.215 0.000 0.826 206 A HN 0.507 nan 8.150 nan 0.000 0.444 207 R N -0.522 119.404 120.500 -0.957 0.000 2.091 207 R HA -0.146 4.194 4.340 0.000 0.000 0.238 207 R C 2.284 178.152 176.300 -0.720 0.000 1.136 207 R CA 1.520 56.678 56.100 -1.571 0.000 0.959 207 R CB -0.413 29.196 30.300 -1.152 0.000 0.856 207 R HN 0.473 nan 8.270 nan 0.000 0.437 208 A N -0.059 122.491 122.820 -0.450 0.000 1.972 208 A HA -0.091 4.229 4.320 0.000 0.000 0.219 208 A C 2.187 179.783 177.584 0.021 0.000 1.169 208 A CA 1.432 53.356 52.037 -0.188 0.000 0.635 208 A CB -0.319 18.602 19.000 -0.133 0.000 0.810 208 A HN 0.235 nan 8.150 nan 0.000 0.446 209 V N -0.449 119.521 119.914 0.093 0.000 2.515 209 V HA -0.191 3.929 4.120 0.000 0.000 0.250 209 V C 2.919 179.009 176.094 -0.007 0.000 1.058 209 V CA 1.757 64.162 62.300 0.176 0.000 1.064 209 V CB -0.927 31.035 31.823 0.231 0.000 0.675 209 V HN 0.603 nan 8.190 nan 0.000 0.461 210 A N 0.239 123.023 122.820 -0.061 0.000 2.016 210 A HA 0.090 4.410 4.320 0.000 0.000 0.217 210 A C 2.332 179.869 177.584 -0.078 0.000 1.162 210 A CA 1.458 53.484 52.037 -0.017 0.000 0.662 210 A CB -0.733 18.313 19.000 0.076 0.000 0.812 210 A HN 0.501 nan 8.150 nan 0.000 0.450 211 G N -0.559 108.156 108.800 -0.142 0.000 2.396 211 G HA2 -0.110 3.850 3.960 0.000 0.000 0.214 211 G HA3 -0.110 3.850 3.960 0.000 0.000 0.214 211 G C 1.359 176.174 174.900 -0.142 0.000 1.166 211 G CA 1.000 46.023 45.100 -0.130 0.000 0.793 211 G HN 0.488 nan 8.290 nan 0.000 0.533 212 E N 0.821 120.898 120.200 -0.205 0.000 2.267 212 E HA 0.031 4.381 4.350 0.000 0.000 0.197 212 E C 2.145 178.601 176.600 -0.240 0.000 0.998 212 E CA 1.134 57.343 56.400 -0.319 0.000 0.830 212 E CB -0.206 29.056 29.700 -0.729 0.000 0.751 212 E HN 0.340 nan 8.360 nan 0.000 0.491 213 A N -0.306 122.412 122.820 -0.169 0.000 2.470 213 A HA 0.290 4.610 4.320 0.000 0.000 0.251 213 A C 0.097 177.628 177.584 -0.088 0.000 1.245 213 A CA 0.054 52.019 52.037 -0.121 0.000 0.932 213 A CB -0.086 18.855 19.000 -0.097 0.000 1.037 213 A HN 0.187 nan 8.150 nan 0.000 0.522 214 R N -1.158 119.291 120.500 -0.085 0.000 3.158 214 R HA -0.143 4.197 4.340 0.000 0.000 0.244 214 R C -0.608 175.664 176.300 -0.046 0.000 0.900 214 R CA 0.824 56.886 56.100 -0.063 0.000 0.618 214 R CB -2.030 28.234 30.300 -0.059 0.000 1.061 214 R HN 0.326 nan 8.270 nan 0.000 0.471 215 V N 0.101 119.996 119.914 -0.032 0.000 3.130 215 V HA 0.566 4.686 4.120 0.000 0.000 0.310 215 V C -2.048 174.062 176.094 0.027 0.000 1.158 215 V CA -2.468 59.826 62.300 -0.010 0.000 1.029 215 V CB 2.575 34.390 31.823 -0.014 0.000 1.057 215 V HN 0.032 nan 8.190 nan 0.000 0.436 216 P HA 0.203 nan 4.420 nan 0.000 0.270 216 P C -1.559 175.843 177.300 0.170 0.000 1.223 216 P CA 0.181 63.319 63.100 0.064 0.000 0.785 216 P CB 0.204 31.911 31.700 0.011 0.000 0.923 217 F N 3.023 122.968 119.950 -0.008 0.000 2.532 217 F HA 0.469 4.996 4.527 -0.000 0.000 0.365 217 F C -0.988 174.829 175.800 0.029 0.000 1.112 217 F CA -0.888 57.119 58.000 0.013 0.000 1.082 217 F CB 0.217 39.208 39.000 -0.014 0.000 1.319 217 F HN 0.077 nan 8.300 nan 0.000 0.457 218 I N 5.415 125.861 120.570 -0.208 0.000 2.315 218 I HA 0.373 4.543 4.170 0.000 0.000 0.291 218 I C 0.357 176.268 176.117 -0.343 0.000 1.006 218 I CA -0.442 60.735 61.300 -0.205 0.000 1.265 218 I CB 1.516 39.461 38.000 -0.090 0.000 1.387 218 I HN 0.605 nan 8.210 nan 0.000 0.475 219 T N 2.890 117.275 114.554 -0.282 0.000 2.940 219 T HA 0.958 5.308 4.350 0.000 0.000 0.288 219 T C -0.406 174.228 174.700 -0.110 0.000 1.045 219 T CA -0.616 61.364 62.100 -0.201 0.000 1.018 219 T CB 2.418 71.199 68.868 -0.145 0.000 1.151 219 T HN 0.846 nan 8.240 nan 0.000 0.529 220 A N 0.263 123.017 122.820 -0.109 0.000 2.438 220 A HA 0.787 5.107 4.320 0.000 0.000 0.301 220 A C -0.816 176.614 177.584 -0.256 0.000 1.101 220 A CA -0.503 51.409 52.037 -0.210 0.000 0.621 220 A CB 0.832 19.734 19.000 -0.163 0.000 1.350 220 A HN 1.512 nan 8.150 nan 0.000 0.496 221 S N -1.047 114.376 115.700 -0.461 0.000 2.736 221 S HA 0.506 4.976 4.470 0.000 0.000 0.285 221 S C 0.983 175.373 174.600 -0.349 0.000 1.163 221 S CA 0.477 58.483 58.200 -0.323 0.000 1.025 221 S CB 0.980 64.045 63.200 -0.225 0.000 1.030 221 S HN 2.159 nan 8.310 nan 0.000 0.486 222 G N 2.839 111.594 108.800 -0.075 0.000 2.499 222 G HA2 -0.169 3.791 3.960 0.000 0.000 0.221 222 G HA3 -0.169 3.791 3.960 0.000 0.000 0.221 222 G C 1.512 176.448 174.900 0.061 0.000 1.109 222 G CA 1.183 46.373 45.100 0.150 0.000 0.749 222 G HN 0.701 nan 8.290 nan 0.000 0.568 223 S N 0.004 115.673 115.700 -0.052 0.000 2.357 223 S HA -0.078 4.392 4.470 0.000 0.000 0.221 223 S C 2.074 176.634 174.600 -0.066 0.000 1.031 223 S CA 1.390 59.561 58.200 -0.047 0.000 0.982 223 S CB -0.230 62.934 63.200 -0.061 0.000 0.853 223 S HN 0.400 nan 8.310 nan 0.000 0.458 224 D N 0.675 120.978 120.400 -0.161 0.000 2.097 224 D HA -0.088 4.552 4.640 0.000 0.000 0.195 224 D C 1.734 177.983 176.300 -0.084 0.000 0.989 224 D CA 1.088 54.982 54.000 -0.177 0.000 0.827 224 D CB -0.565 40.057 40.800 -0.297 0.000 0.966 224 D HN 0.486 nan 8.370 nan 0.000 0.456 225 F N 1.068 121.002 119.950 -0.027 0.000 2.087 225 F HA -0.229 4.298 4.527 0.000 0.000 0.299 225 F C 2.585 178.372 175.800 -0.023 0.000 1.100 225 F CA 0.500 58.490 58.000 -0.016 0.000 1.226 225 F CB -0.338 38.660 39.000 -0.004 0.000 0.983 225 F HN -0.148 nan 8.300 nan 0.000 0.479 226 V N -0.506 119.508 119.914 0.167 0.000 2.626 226 V HA -0.237 3.883 4.120 0.000 0.000 0.252 226 V C 2.008 178.115 176.094 0.022 0.000 1.067 226 V CA 1.822 64.169 62.300 0.078 0.000 1.081 226 V CB -0.514 31.338 31.823 0.048 0.000 0.686 226 V HN 0.215 nan 8.190 nan 0.000 0.468 227 E N -0.081 120.113 120.200 -0.009 0.000 2.208 227 E HA -0.055 4.295 4.350 0.000 0.000 0.193 227 E C 1.083 177.603 176.600 -0.132 0.000 0.988 227 E CA 0.527 56.886 56.400 -0.069 0.000 0.828 227 E CB -0.145 29.506 29.700 -0.081 0.000 0.763 227 E HN 0.556 nan 8.360 nan 0.000 0.478 228 M N 0.013 119.566 119.600 -0.079 0.000 2.228 228 M HA 0.167 4.647 4.480 0.000 0.000 0.326 228 M C -0.037 176.204 176.300 -0.097 0.000 1.122 228 M CA -0.352 54.874 55.300 -0.122 0.000 1.161 228 M CB 0.433 33.052 32.600 0.031 0.000 1.437 228 M HN -0.106 nan 8.290 nan 0.000 0.465 229 F N 0.264 120.238 119.950 0.040 0.000 2.589 229 F HA 0.049 4.576 4.527 0.000 0.000 0.352 229 F C 0.470 176.288 175.800 0.030 0.000 1.168 229 F CA -0.778 57.240 58.000 0.030 0.000 1.353 229 F CB 0.173 39.188 39.000 0.024 0.000 1.116 229 F HN 0.165 nan 8.300 nan 0.000 0.608 230 V N 2.423 122.485 119.914 0.247 0.000 2.694 230 V HA 0.217 4.337 4.120 0.000 0.000 0.306 230 V C 1.028 177.188 176.094 0.110 0.000 1.054 230 V CA 1.043 63.421 62.300 0.131 0.000 1.161 230 V CB 0.035 31.913 31.823 0.092 0.000 0.916 230 V HN 1.108 nan 8.190 nan 0.000 0.490 231 G N 3.026 111.869 108.800 0.071 0.000 2.383 231 G HA2 -0.291 3.669 3.960 0.000 0.000 0.229 231 G HA3 -0.291 3.669 3.960 0.000 0.000 0.229 231 G C 0.688 175.627 174.900 0.064 0.000 1.089 231 G CA 0.391 45.521 45.100 0.051 0.000 0.640 231 G HN 0.695 nan 8.290 nan 0.000 0.510 232 V N 1.828 121.808 119.914 0.110 0.000 2.307 232 V HA 0.111 4.232 4.120 0.000 0.000 0.245 232 V C 3.161 179.320 176.094 0.109 0.000 1.045 232 V CA 3.015 65.389 62.300 0.124 0.000 1.024 232 V CB -1.339 30.595 31.823 0.185 0.000 0.651 232 V HN 0.837 nan 8.190 nan 0.000 0.449 233 G N 0.017 108.883 108.800 0.110 0.000 2.476 233 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 233 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 233 G C 1.729 176.592 174.900 -0.061 0.000 1.164 233 G CA 1.254 46.423 45.100 0.115 0.000 0.768 233 G HN 0.636 nan 8.290 nan 0.000 0.560 234 A N 0.835 123.617 122.820 -0.063 0.000 2.015 234 A HA 0.370 4.690 4.320 0.000 0.000 0.219 234 A C 2.756 180.297 177.584 -0.072 0.000 1.163 234 A CA 1.976 53.946 52.037 -0.113 0.000 0.646 234 A CB -0.553 18.406 19.000 -0.069 0.000 0.806 234 A HN 0.784 nan 8.150 nan 0.000 0.448 235 A N -0.046 122.769 122.820 -0.008 0.000 1.930 235 A HA -0.127 4.193 4.320 0.000 0.000 0.217 235 A C 2.248 179.858 177.584 0.044 0.000 1.175 235 A CA 1.279 53.330 52.037 0.023 0.000 0.627 235 A CB -0.363 18.666 19.000 0.049 0.000 0.815 235 A HN 0.489 nan 8.150 nan 0.000 0.443 236 R N -0.642 119.900 120.500 0.069 0.000 2.119 236 R HA 0.003 4.343 4.340 0.000 0.000 0.222 236 R C 2.011 178.373 176.300 0.104 0.000 1.088 236 R CA 1.181 57.377 56.100 0.161 0.000 0.984 236 R CB -0.763 29.752 30.300 0.358 0.000 0.884 236 R HN 0.401 nan 8.270 nan 0.000 0.447 237 V N 1.407 121.204 119.914 -0.195 0.000 2.332 237 V HA -0.265 3.855 4.120 0.000 0.000 0.248 237 V C 2.538 178.702 176.094 0.116 0.000 1.055 237 V CA 1.724 63.888 62.300 -0.226 0.000 1.038 237 V CB -0.542 31.043 31.823 -0.396 0.000 0.651 237 V HN 0.279 nan 8.190 nan 0.000 0.450 238 R N -0.278 120.248 120.500 0.044 0.000 2.083 238 R HA -0.186 4.154 4.340 0.000 0.000 0.237 238 R C 2.177 178.567 176.300 0.150 0.000 1.137 238 R CA 1.979 58.130 56.100 0.085 0.000 0.951 238 R CB -0.381 29.938 30.300 0.031 0.000 0.851 238 R HN 0.501 nan 8.270 nan 0.000 0.434 239 D N 0.372 120.848 120.400 0.126 0.000 2.178 239 D HA -0.160 4.480 4.640 0.000 0.000 0.201 239 D C 1.789 178.172 176.300 0.138 0.000 0.980 239 D CA 0.744 54.817 54.000 0.121 0.000 0.842 239 D CB -0.078 40.788 40.800 0.110 0.000 0.948 239 D HN 0.094 nan 8.370 nan 0.000 0.472 240 L N -0.249 121.081 121.223 0.177 0.000 1.994 240 L HA -0.145 4.195 4.340 0.000 0.000 0.208 240 L C 2.024 178.905 176.870 0.019 0.000 1.071 240 L CA 1.596 56.497 54.840 0.101 0.000 0.745 240 L CB -0.654 41.479 42.059 0.123 0.000 0.892 240 L HN -0.100 nan 8.230 nan 0.000 0.431 241 F N -0.080 119.924 119.950 0.091 0.000 2.325 241 F HA -0.104 4.423 4.527 0.000 0.000 0.299 241 F C 2.547 178.396 175.800 0.081 0.000 1.090 241 F CA 1.374 59.443 58.000 0.113 0.000 1.392 241 F CB -0.546 38.535 39.000 0.135 0.000 1.053 241 F HN 0.271 nan 8.300 nan 0.000 0.521 242 E N -0.010 120.323 120.200 0.221 0.000 2.031 242 E HA -0.192 4.158 4.350 0.000 0.000 0.193 242 E C 2.071 178.703 176.600 0.053 0.000 0.994 242 E CA 1.813 58.283 56.400 0.117 0.000 0.800 242 E CB -0.159 29.592 29.700 0.086 0.000 0.752 242 E HN 0.219 nan 8.360 nan 0.000 0.447 243 T N 0.445 115.029 114.554 0.050 0.000 2.759 243 T HA -0.161 4.189 4.350 0.000 0.000 0.269 243 T C 1.720 176.430 174.700 0.017 0.000 1.042 243 T CA 1.242 63.354 62.100 0.019 0.000 1.140 243 T CB -0.289 68.622 68.868 0.071 0.000 0.864 243 T HN 0.358 nan 8.240 nan 0.000 0.455 244 A N 1.620 124.461 122.820 0.035 0.000 1.877 244 A HA -0.137 4.183 4.320 0.000 0.000 0.216 244 A C 2.228 179.831 177.584 0.031 0.000 1.186 244 A CA 1.707 53.766 52.037 0.036 0.000 0.620 244 A CB -0.434 18.553 19.000 -0.022 0.000 0.822 244 A HN 0.477 nan 8.150 nan 0.000 0.443 245 K N -0.686 119.730 120.400 0.026 0.000 2.147 245 K HA -0.136 4.184 4.320 0.000 0.000 0.205 245 K C 2.584 179.150 176.600 -0.055 0.000 1.049 245 K CA 1.415 57.695 56.287 -0.012 0.000 0.936 245 K CB -0.330 32.172 32.500 0.003 0.000 0.722 245 K HN 0.466 nan 8.250 nan 0.000 0.446 246 R N 1.251 121.683 120.500 -0.114 0.000 2.081 246 R HA -0.105 4.235 4.340 0.000 0.000 0.235 246 R C 1.239 177.354 176.300 -0.308 0.000 1.131 246 R CA 1.658 57.604 56.100 -0.257 0.000 0.960 246 R CB -1.199 28.855 30.300 -0.410 0.000 0.856 246 R HN 0.332 nan 8.270 nan 0.000 0.436 247 H N -0.455 118.616 119.070 0.001 0.000 2.539 247 H HA 0.612 5.168 4.556 0.000 0.000 0.293 247 H C -0.280 175.042 175.328 -0.009 0.000 1.156 247 H CA -0.280 55.766 56.048 -0.003 0.000 1.012 247 H CB -0.472 29.291 29.762 0.002 0.000 1.600 247 H HN 0.649 nan 8.280 nan 0.000 0.538 248 A N 2.460 125.315 122.820 0.058 0.000 2.316 248 A HA 0.468 4.789 4.320 0.000 0.000 0.284 248 A C -1.584 175.997 177.584 -0.004 0.000 1.115 248 A CA -1.158 50.890 52.037 0.018 0.000 0.812 248 A CB 0.570 19.559 19.000 -0.019 0.000 1.064 248 A HN 0.170 nan 8.150 nan 0.000 0.489 249 P HA 0.547 nan 4.420 nan 0.000 0.274 249 P C -0.321 176.980 177.300 0.002 0.000 1.256 249 P CA -0.003 63.066 63.100 -0.052 0.000 0.795 249 P CB 0.545 32.147 31.700 -0.164 0.000 1.038 250 C N -2.105 117.216 119.300 0.034 0.000 2.986 250 C HA 0.561 5.021 4.460 0.000 0.000 0.326 250 C C -1.386 173.675 174.990 0.118 0.000 1.335 250 C CA -0.975 58.086 59.018 0.073 0.000 1.223 250 C CB -0.175 27.613 27.740 0.079 0.000 1.354 250 C HN 0.519 nan 8.230 nan 0.000 0.447 251 I N 1.257 121.919 120.570 0.153 0.000 2.474 251 I HA 0.645 4.815 4.170 0.000 0.000 0.294 251 I C -0.558 175.619 176.117 0.100 0.000 1.005 251 I CA -0.778 60.639 61.300 0.195 0.000 1.113 251 I CB 2.017 40.214 38.000 0.329 0.000 1.289 251 I HN 0.621 nan 8.210 nan 0.000 0.436 252 V N 6.265 126.229 119.914 0.082 0.000 2.417 252 V HA 0.333 4.453 4.120 0.000 0.000 0.291 252 V C -0.858 175.269 176.094 0.054 0.000 1.024 252 V CA -0.583 61.691 62.300 -0.043 0.000 0.861 252 V CB 1.631 33.346 31.823 -0.181 0.000 0.985 252 V HN 0.410 nan 8.190 nan 0.000 0.436 253 F N 6.560 126.367 119.950 -0.239 0.000 2.403 253 F HA 0.625 5.152 4.527 0.000 0.000 0.355 253 F C -0.411 175.332 175.800 -0.095 0.000 1.119 253 F CA -0.984 56.924 58.000 -0.153 0.000 1.007 253 F CB 0.904 39.701 39.000 -0.340 0.000 1.194 253 F HN 0.247 nan 8.300 nan 0.000 0.443 254 I N 4.786 125.032 120.570 -0.540 0.000 2.315 254 I HA 0.214 4.385 4.170 0.000 0.000 0.291 254 I C -0.229 175.458 176.117 -0.718 0.000 1.006 254 I CA -0.427 60.638 61.300 -0.393 0.000 1.265 254 I CB 1.042 38.966 38.000 -0.127 0.000 1.387 254 I HN 0.498 nan 8.210 nan 0.000 0.475 255 D N 4.664 124.766 120.400 -0.497 0.000 2.217 255 D HA 0.256 4.896 4.640 0.000 0.000 0.248 255 D C -0.161 176.021 176.300 -0.197 0.000 1.008 255 D CA 0.005 53.783 54.000 -0.370 0.000 0.914 255 D CB 1.016 41.761 40.800 -0.090 0.000 1.182 255 D HN 0.526 nan 8.370 nan 0.000 0.451 256 E N 1.202 121.320 120.200 -0.136 0.000 2.230 256 E HA -0.252 4.098 4.350 0.000 0.000 0.206 256 E C 0.678 177.214 176.600 -0.106 0.000 1.309 256 E CA -0.152 56.193 56.400 -0.091 0.000 0.697 256 E CB -0.959 28.705 29.700 -0.061 0.000 1.146 256 E HN 0.435 nan 8.360 nan 0.000 0.363 257 I N 1.075 121.548 120.570 -0.161 0.000 2.567 257 I HA -0.202 3.968 4.170 0.000 0.000 0.257 257 I C 1.493 177.542 176.117 -0.114 0.000 1.184 257 I CA 1.991 63.189 61.300 -0.170 0.000 1.451 257 I CB 0.020 37.825 38.000 -0.325 0.000 1.089 257 I HN 0.254 nan 8.210 nan 0.000 0.441 258 D N 0.421 120.764 120.400 -0.095 0.000 2.371 258 D HA -0.035 4.605 4.640 0.000 0.000 0.221 258 D C 2.052 178.329 176.300 -0.038 0.000 0.986 258 D CA 0.863 54.825 54.000 -0.063 0.000 0.899 258 D CB -0.495 40.273 40.800 -0.054 0.000 0.902 258 D HN 0.363 nan 8.370 nan 0.000 0.530 259 A N 0.398 123.199 122.820 -0.032 0.000 1.930 259 A HA -0.052 4.268 4.320 0.000 0.000 0.217 259 A C 2.228 179.815 177.584 0.005 0.000 1.175 259 A CA 1.049 53.080 52.037 -0.010 0.000 0.627 259 A CB -0.512 18.486 19.000 -0.003 0.000 0.815 259 A HN 0.228 nan 8.150 nan 0.000 0.443 260 V N -0.832 119.086 119.914 0.007 0.000 2.374 260 V HA 0.009 4.129 4.120 0.000 0.000 0.241 260 V C 2.787 178.876 176.094 -0.009 0.000 1.034 260 V CA 1.479 63.786 62.300 0.012 0.000 1.037 260 V CB -1.185 30.651 31.823 0.023 0.000 0.682 260 V HN 0.547 nan 8.190 nan 0.000 0.463 261 G N 0.432 109.217 108.800 -0.025 0.000 2.480 261 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 261 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 261 G C 1.178 176.066 174.900 -0.019 0.000 1.200 261 G CA 1.209 46.293 45.100 -0.027 0.000 0.782 261 G HN 0.637 nan 8.290 nan 0.000 0.554 273 D N 1.484 121.896 120.400 0.019 0.000 2.108 273 D HA -0.156 4.484 4.640 0.000 0.000 0.190 273 D C 0.939 177.253 176.300 0.024 0.000 0.995 273 D CA 1.875 55.888 54.000 0.021 0.000 0.834 273 D CB 0.033 40.851 40.800 0.030 0.000 0.967 273 D HN 0.695 nan 8.370 nan 0.000 0.446 274 E N 0.308 120.529 120.200 0.036 0.000 2.068 274 E HA -0.221 4.129 4.350 0.000 0.000 0.207 274 E C 2.051 178.667 176.600 0.028 0.000 1.032 274 E CA 1.182 57.606 56.400 0.040 0.000 0.839 274 E CB -0.138 29.590 29.700 0.046 0.000 0.758 274 E HN 0.117 nan 8.360 nan 0.000 0.457 275 R N 0.475 120.989 120.500 0.023 0.000 2.105 275 R HA -0.192 4.148 4.340 0.000 0.000 0.239 275 R C 1.893 178.195 176.300 0.003 0.000 1.135 275 R CA 1.380 57.490 56.100 0.016 0.000 0.967 275 R CB -0.010 30.297 30.300 0.012 0.000 0.861 275 R HN 0.196 nan 8.270 nan 0.000 0.442 276 E N 0.473 120.673 120.200 0.000 0.000 2.028 276 E HA -0.168 4.182 4.350 0.000 0.000 0.190 276 E C 2.050 178.638 176.600 -0.019 0.000 0.984 276 E CA 1.053 57.448 56.400 -0.009 0.000 0.800 276 E CB -0.185 29.512 29.700 -0.005 0.000 0.758 276 E HN 0.470 nan 8.360 nan 0.000 0.448 277 Q N 0.009 119.800 119.800 -0.014 0.000 2.170 277 Q HA -0.096 4.244 4.340 0.000 0.000 0.203 277 Q C 2.033 178.002 176.000 -0.052 0.000 0.976 277 Q CA 1.570 57.358 55.803 -0.025 0.000 0.858 277 Q CB -0.106 28.627 28.738 -0.009 0.000 0.907 277 Q HN 0.238 nan 8.270 nan 0.000 0.433 278 T N 1.267 115.790 114.554 -0.052 0.000 2.851 278 T HA -0.091 4.259 4.350 0.000 0.000 0.262 278 T C 1.779 176.417 174.700 -0.104 0.000 1.043 278 T CA 0.637 62.673 62.100 -0.106 0.000 1.140 278 T CB -0.172 68.658 68.868 -0.064 0.000 0.872 278 T HN 0.121 nan 8.240 nan 0.000 0.446 279 L N 2.188 123.377 121.223 -0.056 0.000 1.994 279 L HA -0.060 4.280 4.340 0.000 0.000 0.208 279 L C 2.041 178.874 176.870 -0.063 0.000 1.071 279 L CA 1.737 56.549 54.840 -0.046 0.000 0.745 279 L CB -0.797 41.247 42.059 -0.025 0.000 0.892 279 L HN 0.092 nan 8.230 nan 0.000 0.431 280 N N -0.442 118.221 118.700 -0.061 0.000 2.104 280 N HA -0.253 4.487 4.740 0.000 0.000 0.190 280 N C 1.866 177.316 175.510 -0.100 0.000 1.024 280 N CA 1.525 54.534 53.050 -0.069 0.000 0.853 280 N CB -0.355 38.100 38.487 -0.054 0.000 1.008 280 N HN 0.448 nan 8.380 nan 0.000 0.424 281 Q N 1.135 120.866 119.800 -0.114 0.000 2.061 281 Q HA -0.077 4.263 4.340 0.000 0.000 0.204 281 Q C 2.067 177.941 176.000 -0.210 0.000 0.984 281 Q CA 1.088 56.802 55.803 -0.148 0.000 0.846 281 Q CB -0.658 27.988 28.738 -0.153 0.000 0.902 281 Q HN 0.340 nan 8.270 nan 0.000 0.421 282 L N -0.561 120.544 121.223 -0.197 0.000 2.012 282 L HA -0.161 4.179 4.340 0.000 0.000 0.210 282 L C 1.912 178.628 176.870 -0.257 0.000 1.073 282 L CA 1.579 56.288 54.840 -0.217 0.000 0.748 282 L CB -0.791 41.228 42.059 -0.067 0.000 0.891 282 L HN 0.326 nan 8.230 nan 0.000 0.431 283 L N -1.075 120.051 121.223 -0.162 0.000 2.012 283 L HA -0.185 4.155 4.340 0.000 0.000 0.210 283 L C 2.538 179.288 176.870 -0.199 0.000 1.073 283 L CA 1.598 56.346 54.840 -0.154 0.000 0.748 283 L CB -1.047 40.957 42.059 -0.092 0.000 0.891 283 L HN 0.129 nan 8.230 nan 0.000 0.431 284 V N -0.663 119.140 119.914 -0.185 0.000 2.343 284 V HA -0.230 3.890 4.120 0.000 0.000 0.247 284 V C 2.541 178.494 176.094 -0.235 0.000 1.051 284 V CA 1.373 63.572 62.300 -0.169 0.000 1.036 284 V CB -0.490 31.254 31.823 -0.131 0.000 0.654 284 V HN 0.429 nan 8.190 nan 0.000 0.451 285 E N -0.291 119.686 120.200 -0.372 0.000 2.077 285 E HA -0.179 4.171 4.350 0.000 0.000 0.193 285 E C 2.172 178.413 176.600 -0.599 0.000 0.989 285 E CA 1.392 57.458 56.400 -0.556 0.000 0.800 285 E CB -0.308 28.731 29.700 -1.101 0.000 0.746 285 E HN 0.539 nan 8.360 nan 0.000 0.452 286 M N 0.552 119.756 119.600 -0.660 0.000 2.319 286 M HA -0.100 4.380 4.480 0.000 0.000 0.265 286 M C 1.091 177.100 176.300 -0.484 0.000 1.068 286 M CA 0.890 55.737 55.300 -0.754 0.000 1.118 286 M CB -0.081 32.147 32.600 -0.619 0.000 1.395 286 M HN -0.124 nan 8.290 nan 0.000 0.435 287 D N 0.235 120.468 120.400 -0.279 0.000 2.317 287 D HA -0.012 4.628 4.640 0.000 0.000 0.211 287 D C 1.771 178.038 176.300 -0.055 0.000 0.966 287 D CA 0.755 54.667 54.000 -0.146 0.000 0.876 287 D CB -0.245 40.486 40.800 -0.114 0.000 0.927 287 D HN 0.376 nan 8.370 nan 0.000 0.519 288 G N -0.453 108.326 108.800 -0.034 0.000 3.124 288 G HA2 -0.046 3.914 3.960 0.000 0.000 0.212 288 G HA3 -0.046 3.914 3.960 0.000 0.000 0.212 288 G C -0.025 175.030 174.900 0.258 0.000 1.181 288 G CA -0.331 44.814 45.100 0.075 0.000 0.803 288 G HN 0.001 nan 8.290 nan 0.000 0.529 289 F N 1.634 121.553 119.950 -0.052 0.000 2.445 289 F HA 0.518 5.045 4.527 0.000 0.000 0.359 289 F C 0.764 176.553 175.800 -0.018 0.000 1.101 289 F CA -1.531 56.456 58.000 -0.022 0.000 1.177 289 F CB 0.431 39.415 39.000 -0.026 0.000 1.110 289 F HN 0.200 nan 8.300 nan 0.000 0.522 290 E N 2.056 122.300 120.200 0.073 0.000 2.280 290 E HA 0.543 4.893 4.350 0.000 0.000 0.264 290 E C 1.155 177.764 176.600 0.016 0.000 1.064 290 E CA -0.016 56.404 56.400 0.034 0.000 0.900 290 E CB 0.294 29.997 29.700 0.006 0.000 1.123 290 E HN 0.648 nan 8.360 nan 0.000 0.418 291 K N -0.432 119.981 120.400 0.023 0.000 2.044 291 K HA -0.137 4.183 4.320 0.000 0.000 0.210 291 K C 2.116 178.734 176.600 0.030 0.000 1.049 291 K CA 2.572 58.873 56.287 0.025 0.000 0.927 291 K CB -1.638 30.880 32.500 0.031 0.000 0.713 291 K HN 1.026 nan 8.250 nan 0.000 0.443 292 D N 0.671 121.085 120.400 0.023 0.000 2.403 292 D HA 0.045 4.685 4.640 0.000 0.000 0.227 292 D C 0.958 177.258 176.300 0.000 0.000 0.995 292 D CA 0.935 54.952 54.000 0.029 0.000 0.928 292 D CB -0.755 40.054 40.800 0.014 0.000 0.887 292 D HN 0.519 nan 8.370 nan 0.000 0.529 293 T N 0.645 115.163 114.554 -0.060 0.000 2.727 293 T HA 0.509 4.859 4.350 0.000 0.000 0.295 293 T C 0.813 175.477 174.700 -0.059 0.000 0.915 293 T CA 0.158 62.141 62.100 -0.194 0.000 1.066 293 T CB 1.350 69.897 68.868 -0.534 0.000 0.891 293 T HN 0.394 nan 8.240 nan 0.000 0.516 294 A N 5.194 128.018 122.820 0.008 0.000 3.197 294 A HA 0.497 4.817 4.320 0.000 0.000 0.263 294 A C 0.254 177.912 177.584 0.123 0.000 1.524 294 A CA -0.408 51.724 52.037 0.159 0.000 1.176 294 A CB -0.645 18.336 19.000 -0.032 0.000 1.096 294 A HN 0.843 nan 8.150 nan 0.000 0.655 295 I N 0.115 120.751 120.570 0.109 0.000 2.498 295 I HA 0.349 4.519 4.170 0.000 0.000 0.290 295 I C -0.883 175.425 176.117 0.319 0.000 1.032 295 I CA -0.950 60.450 61.300 0.167 0.000 1.073 295 I CB 2.425 40.489 38.000 0.107 0.000 1.251 295 I HN -0.079 nan 8.210 nan 0.000 0.426 296 V N 6.657 126.746 119.914 0.292 0.000 2.384 296 V HA 0.317 4.437 4.120 0.000 0.000 0.287 296 V C -0.066 176.180 176.094 0.252 0.000 1.020 296 V CA -0.709 61.748 62.300 0.262 0.000 0.850 296 V CB 1.930 33.894 31.823 0.235 0.000 0.987 296 V HN 0.390 nan 8.190 nan 0.000 0.436 297 V N 6.789 126.837 119.914 0.224 0.000 2.348 297 V HA 0.411 4.531 4.120 0.000 0.000 0.270 297 V C 0.159 176.457 176.094 0.339 0.000 1.037 297 V CA -0.126 62.314 62.300 0.232 0.000 0.872 297 V CB 1.038 32.954 31.823 0.155 0.000 1.002 297 V HN 0.801 nan 8.190 nan 0.000 0.464 298 M N 4.497 124.316 119.600 0.366 0.000 2.268 298 M HA 0.742 5.222 4.480 0.000 0.000 0.344 298 M C -0.031 176.410 176.300 0.235 0.000 1.106 298 M CA -0.168 55.381 55.300 0.415 0.000 1.010 298 M CB 1.918 34.829 32.600 0.517 0.000 1.649 298 M HN 0.698 nan 8.290 nan 0.000 0.443 299 A N 2.367 125.228 122.820 0.069 0.000 2.386 299 A HA 1.010 5.330 4.320 0.000 0.000 0.308 299 A C -1.315 176.123 177.584 -0.245 0.000 1.128 299 A CA -0.695 51.128 52.037 -0.356 0.000 0.789 299 A CB 1.552 20.133 19.000 -0.699 0.000 1.325 299 A HN 0.850 nan 8.150 nan 0.000 0.437 300 A N 0.034 122.652 122.820 -0.337 0.000 2.386 300 A HA 0.877 5.197 4.320 0.000 0.000 0.311 300 A C -0.426 177.095 177.584 -0.105 0.000 1.068 300 A CA -0.464 51.526 52.037 -0.079 0.000 0.743 300 A CB 1.689 20.768 19.000 0.132 0.000 1.258 300 A HN 1.096 nan 8.150 nan 0.000 0.429 301 T N 0.265 114.792 114.554 -0.045 0.000 2.932 301 T HA 0.447 4.797 4.350 0.000 0.000 0.318 301 T C 0.022 174.712 174.700 -0.016 0.000 1.265 301 T CA -0.109 61.961 62.100 -0.051 0.000 1.036 301 T CB 1.113 69.931 68.868 -0.082 0.000 1.209 301 T HN 0.898 nan 8.240 nan 0.000 0.484 302 N N -0.051 118.640 118.700 -0.015 0.000 2.193 302 N HA 0.198 4.938 4.740 0.000 0.000 0.210 302 N C 0.463 175.965 175.510 -0.013 0.000 1.215 302 N CA -0.264 52.782 53.050 -0.006 0.000 0.901 302 N CB 0.396 38.882 38.487 -0.000 0.000 1.060 302 N HN 0.477 nan 8.380 nan 0.000 0.508 303 R N 1.165 121.652 120.500 -0.021 0.000 2.860 303 R HA 0.483 4.823 4.340 0.000 0.000 0.282 303 R C -2.281 174.003 176.300 -0.025 0.000 1.408 303 R CA -1.547 54.540 56.100 -0.021 0.000 1.636 303 R CB -0.245 30.042 30.300 -0.022 0.000 1.187 303 R HN 0.196 nan 8.270 nan 0.000 0.611 304 P HA -0.117 nan 4.420 nan 0.000 0.230 304 P C 0.317 177.607 177.300 -0.017 0.000 1.158 304 P CA 1.373 64.460 63.100 -0.021 0.000 0.769 304 P CB 0.354 32.046 31.700 -0.013 0.000 0.807 305 D N 0.479 120.870 120.400 -0.015 0.000 2.144 305 D HA -0.157 4.483 4.640 0.000 0.000 0.200 305 D C 1.717 178.009 176.300 -0.013 0.000 0.978 305 D CA 0.856 54.849 54.000 -0.012 0.000 0.833 305 D CB -1.116 39.677 40.800 -0.011 0.000 0.961 305 D HN 0.281 nan 8.370 nan 0.000 0.470 306 I N -2.057 118.503 120.570 -0.017 0.000 3.860 306 I HA 0.206 4.376 4.170 0.000 0.000 0.319 306 I C 0.308 176.412 176.117 -0.021 0.000 1.279 306 I CA -0.607 60.683 61.300 -0.017 0.000 1.220 306 I CB -0.120 37.870 38.000 -0.018 0.000 1.027 306 I HN -0.084 nan 8.210 nan 0.000 0.428 307 L N 3.329 124.536 121.223 -0.027 0.000 2.559 307 L HA 0.059 4.399 4.340 0.000 0.000 0.274 307 L C 0.452 177.309 176.870 -0.022 0.000 1.205 307 L CA 0.682 55.501 54.840 -0.035 0.000 0.907 307 L CB -0.225 41.806 42.059 -0.047 0.000 1.153 307 L HN 0.214 nan 8.230 nan 0.000 0.490 308 D N 7.131 127.519 120.400 -0.020 0.000 2.434 308 D HA 0.008 4.648 4.640 0.000 0.000 0.252 308 D C -1.639 174.662 176.300 0.001 0.000 1.185 308 D CA -1.172 52.822 54.000 -0.009 0.000 0.886 308 D CB 1.529 42.324 40.800 -0.008 0.000 1.148 308 D HN 0.421 nan 8.370 nan 0.000 0.483 309 P HA -0.207 nan 4.420 nan 0.000 0.218 309 P C 0.918 178.227 177.300 0.015 0.000 1.150 309 P CA 1.804 64.909 63.100 0.008 0.000 0.841 309 P CB 0.174 31.876 31.700 0.003 0.000 0.784 310 A N -1.172 121.655 122.820 0.012 0.000 2.015 310 A HA -0.139 4.181 4.320 0.000 0.000 0.219 310 A C 2.132 179.737 177.584 0.035 0.000 1.163 310 A CA 1.182 53.226 52.037 0.012 0.000 0.646 310 A CB -1.483 17.517 19.000 -0.000 0.000 0.806 310 A HN 0.152 nan 8.150 nan 0.000 0.448 311 L N -0.694 120.567 121.223 0.064 0.000 2.131 311 L HA -0.099 4.241 4.340 0.000 0.000 0.210 311 L C 1.821 178.813 176.870 0.204 0.000 1.092 311 L CA 0.771 55.707 54.840 0.161 0.000 0.759 311 L CB -0.323 41.814 42.059 0.130 0.000 0.903 311 L HN 0.365 nan 8.230 nan 0.000 0.435 312 L N -0.745 120.545 121.223 0.113 0.000 2.591 312 L HA 0.064 4.404 4.340 0.000 0.000 0.228 312 L C 0.820 177.723 176.870 0.055 0.000 1.133 312 L CA -0.125 54.775 54.840 0.100 0.000 0.880 312 L CB -0.364 41.733 42.059 0.063 0.000 1.033 312 L HN 0.151 nan 8.230 nan 0.000 0.450 313 R N 1.607 122.126 120.500 0.032 0.000 2.539 313 R HA 0.190 4.530 4.340 0.000 0.000 0.275 313 R C -2.110 174.181 176.300 -0.015 0.000 1.077 313 R CA -1.803 54.299 56.100 0.004 0.000 1.097 313 R CB -0.043 30.253 30.300 -0.008 0.000 1.018 313 R HN -0.131 nan 8.270 nan 0.000 0.483 314 P HA -0.143 nan 4.420 nan 0.000 0.261 314 P C 0.454 177.721 177.300 -0.054 0.000 1.173 314 P CA 1.032 64.115 63.100 -0.029 0.000 0.760 314 P CB 0.684 32.373 31.700 -0.019 0.000 0.783 315 G N 3.041 111.795 108.800 -0.077 0.000 2.259 315 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 315 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 315 G C 0.653 175.436 174.900 -0.195 0.000 1.001 315 G CA 0.097 45.133 45.100 -0.106 0.000 0.627 315 G HN 0.565 nan 8.290 nan 0.000 0.501 316 R N -1.061 119.315 120.500 -0.205 0.000 2.328 316 R HA 0.667 5.007 4.340 0.000 0.000 0.114 316 R C -0.058 175.969 176.300 -0.455 0.000 1.543 316 R CA -0.449 55.432 56.100 -0.366 0.000 1.352 316 R CB -0.231 29.954 30.300 -0.191 0.000 1.142 316 R HN 0.066 nan 8.270 nan 0.000 0.443 317 F N 2.838 122.765 119.950 -0.039 0.000 2.606 317 F HA 0.137 4.664 4.527 -0.000 0.000 0.347 317 F C -0.029 175.765 175.800 -0.010 0.000 1.207 317 F CA -0.537 57.453 58.000 -0.016 0.000 1.306 317 F CB 0.105 39.097 39.000 -0.012 0.000 1.657 317 F HN 0.273 nan 8.300 nan 0.000 0.606 318 D N 0.696 121.126 120.400 0.049 0.000 3.139 318 D HA 0.434 5.074 4.640 0.000 0.000 0.268 318 D C 0.260 176.586 176.300 0.044 0.000 1.322 318 D CA -0.040 53.984 54.000 0.039 0.000 0.940 318 D CB 0.046 40.845 40.800 -0.001 0.000 1.050 318 D HN 0.431 nan 8.370 nan 0.000 0.503 319 R N 0.467 121.015 120.500 0.081 0.000 3.971 319 R HA 0.503 4.843 4.340 0.000 0.000 0.243 319 R C -1.526 174.836 176.300 0.102 0.000 1.054 319 R CA -0.861 55.284 56.100 0.076 0.000 1.243 319 R CB -0.073 30.266 30.300 0.065 0.000 1.244 319 R HN 0.312 nan 8.270 nan 0.000 0.547 320 Q N 1.210 121.057 119.800 0.079 0.000 2.389 320 Q HA 0.793 5.133 4.340 0.000 0.000 0.277 320 Q C -0.804 175.233 176.000 0.061 0.000 1.082 320 Q CA -0.965 54.883 55.803 0.075 0.000 0.810 320 Q CB 3.286 32.059 28.738 0.059 0.000 1.374 320 Q HN 0.652 nan 8.270 nan 0.000 0.422 321 I N 1.512 122.118 120.570 0.060 0.000 2.439 321 I HA 0.531 4.701 4.170 0.000 0.000 0.285 321 I C -0.428 175.712 176.117 0.038 0.000 1.021 321 I CA -0.899 60.429 61.300 0.047 0.000 1.091 321 I CB 1.742 39.772 38.000 0.050 0.000 1.242 321 I HN 0.651 nan 8.210 nan 0.000 0.439 322 A N 7.821 130.657 122.820 0.027 0.000 2.425 322 A HA 0.716 5.036 4.320 0.000 0.000 0.249 322 A C -0.337 177.258 177.584 0.018 0.000 1.084 322 A CA 0.131 52.181 52.037 0.022 0.000 0.781 322 A CB 0.286 19.296 19.000 0.017 0.000 1.019 322 A HN 0.700 nan 8.150 nan 0.000 0.490 323 I N 2.023 122.604 120.570 0.019 0.000 2.512 323 I HA 0.250 4.420 4.170 0.000 0.000 0.287 323 I C -1.201 174.926 176.117 0.016 0.000 1.069 323 I CA -0.740 60.569 61.300 0.016 0.000 1.056 323 I CB 2.231 40.245 38.000 0.023 0.000 1.229 323 I HN 0.766 nan 8.210 nan 0.000 0.429 324 D N 4.695 125.103 120.400 0.012 0.000 2.437 324 D HA 0.599 5.239 4.640 0.000 0.000 0.259 324 D C 0.221 176.533 176.300 0.019 0.000 1.118 324 D CA -0.644 53.365 54.000 0.014 0.000 1.017 324 D CB 0.715 41.523 40.800 0.013 0.000 1.120 324 D HN 0.567 nan 8.370 nan 0.000 0.541 325 A N 0.688 123.522 122.820 0.023 0.000 2.561 325 A HA 0.287 4.607 4.320 0.000 0.000 0.234 325 A C -1.810 175.793 177.584 0.033 0.000 1.055 325 A CA -0.743 51.314 52.037 0.033 0.000 0.756 325 A CB -0.734 18.292 19.000 0.043 0.000 0.986 325 A HN 0.547 nan 8.150 nan 0.000 0.505 326 P HA 0.071 nan 4.420 nan 0.000 0.268 326 P C -0.562 176.754 177.300 0.026 0.000 1.208 326 P CA -0.081 63.035 63.100 0.027 0.000 0.777 326 P CB 0.468 32.183 31.700 0.025 0.000 0.875 327 D N 0.881 121.290 120.400 0.015 0.000 2.414 327 D HA -0.065 4.575 4.640 0.000 0.000 0.259 327 D C 1.386 177.689 176.300 0.006 0.000 1.269 327 D CA -0.630 53.377 54.000 0.011 0.000 1.028 327 D CB -0.242 40.561 40.800 0.005 0.000 1.093 327 D HN 0.098 nan 8.370 nan 0.000 0.545 328 V N -0.074 119.840 119.914 -0.000 0.000 2.324 328 V HA -0.287 3.833 4.120 0.000 0.000 0.250 328 V C 2.403 178.490 176.094 -0.011 0.000 1.060 328 V CA 2.771 65.065 62.300 -0.009 0.000 1.042 328 V CB -0.708 31.108 31.823 -0.013 0.000 0.650 328 V HN 0.638 nan 8.190 nan 0.000 0.450 329 K N 0.696 121.092 120.400 -0.006 0.000 2.057 329 K HA 0.004 4.324 4.320 0.000 0.000 0.206 329 K C 2.017 178.612 176.600 -0.007 0.000 1.050 329 K CA 1.865 58.148 56.287 -0.007 0.000 0.935 329 K CB -1.245 31.254 32.500 -0.002 0.000 0.715 329 K HN 0.476 nan 8.250 nan 0.000 0.439 330 G N 0.427 109.226 108.800 -0.003 0.000 2.432 330 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 330 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 330 G C 1.497 176.393 174.900 -0.007 0.000 1.135 330 G CA 0.619 45.715 45.100 -0.006 0.000 0.767 330 G HN 0.280 nan 8.290 nan 0.000 0.550 331 R N -0.013 120.486 120.500 -0.000 0.000 2.073 331 R HA 0.012 4.352 4.340 0.000 0.000 0.229 331 R C 2.401 178.697 176.300 -0.007 0.000 1.120 331 R CA 0.996 57.098 56.100 0.004 0.000 0.967 331 R CB -0.397 29.901 30.300 -0.005 0.000 0.862 331 R HN 0.413 nan 8.270 nan 0.000 0.436 332 E N 1.427 121.616 120.200 -0.017 0.000 2.085 332 E HA -0.247 4.103 4.350 0.000 0.000 0.194 332 E C 1.841 178.428 176.600 -0.021 0.000 0.994 332 E CA 1.448 57.836 56.400 -0.021 0.000 0.801 332 E CB 0.120 29.807 29.700 -0.021 0.000 0.743 332 E HN 0.415 nan 8.360 nan 0.000 0.453 333 Q N -0.044 119.739 119.800 -0.027 0.000 2.124 333 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 333 Q C 2.401 178.366 176.000 -0.058 0.000 0.977 333 Q CA 1.419 57.194 55.803 -0.046 0.000 0.850 333 Q CB -0.069 28.634 28.738 -0.058 0.000 0.901 333 Q HN 0.424 nan 8.270 nan 0.000 0.429 334 I N 0.410 120.962 120.570 -0.031 0.000 2.286 334 I HA -0.258 3.913 4.170 0.000 0.000 0.245 334 I C 2.205 178.363 176.117 0.067 0.000 1.104 334 I CA 0.898 62.204 61.300 0.010 0.000 1.397 334 I CB -0.283 37.766 38.000 0.081 0.000 1.072 334 I HN 0.180 nan 8.210 nan 0.000 0.417 335 L N 0.345 121.602 121.223 0.056 0.000 2.042 335 L HA -0.212 4.128 4.340 0.000 0.000 0.210 335 L C 2.893 179.781 176.870 0.029 0.000 1.076 335 L CA 1.330 56.205 54.840 0.058 0.000 0.749 335 L CB -0.575 41.493 42.059 0.015 0.000 0.893 335 L HN 0.216 nan 8.230 nan 0.000 0.432 336 R N 0.016 120.511 120.500 -0.009 0.000 2.081 336 R HA -0.124 4.216 4.340 0.000 0.000 0.235 336 R C 2.157 178.426 176.300 -0.052 0.000 1.131 336 R CA 1.443 57.527 56.100 -0.026 0.000 0.960 336 R CB -0.550 29.729 30.300 -0.034 0.000 0.856 336 R HN 0.416 nan 8.270 nan 0.000 0.436 337 I N -0.181 120.326 120.570 -0.106 0.000 2.133 337 I HA -0.272 3.898 4.170 0.000 0.000 0.238 337 I C 2.269 178.267 176.117 -0.198 0.000 1.074 337 I CA 1.283 62.467 61.300 -0.194 0.000 1.342 337 I CB -0.579 37.216 38.000 -0.342 0.000 1.053 337 I HN 0.186 nan 8.210 nan 0.000 0.404 338 H N 0.754 119.813 119.070 -0.019 0.000 2.489 338 H HA 0.013 4.569 4.556 0.000 0.000 0.293 338 H C 2.218 177.540 175.328 -0.010 0.000 1.066 338 H CA 1.266 57.306 56.048 -0.012 0.000 1.305 338 H CB -0.117 29.641 29.762 -0.008 0.000 1.386 338 H HN 0.373 nan 8.280 nan 0.000 0.551 339 A N 1.179 124.043 122.820 0.074 0.000 2.119 339 A HA 0.022 4.342 4.320 0.000 0.000 0.217 339 A C 1.873 179.469 177.584 0.021 0.000 1.153 339 A CA 0.613 52.675 52.037 0.042 0.000 0.692 339 A CB -0.675 18.337 19.000 0.020 0.000 0.799 339 A HN 0.417 nan 8.150 nan 0.000 0.458 340 R N 0.063 120.566 120.500 0.005 0.000 2.404 340 R HA 0.423 4.764 4.340 0.000 0.000 0.315 340 R C 1.282 177.586 176.300 0.007 0.000 1.032 340 R CA 0.699 56.796 56.100 -0.006 0.000 0.992 340 R CB -1.420 28.864 30.300 -0.027 0.000 0.959 340 R HN 1.875 nan 8.270 nan 0.000 0.428 341 G N 0.941 109.744 108.800 0.006 0.000 2.211 341 G HA2 -0.165 3.795 3.960 0.000 0.000 0.201 341 G HA3 -0.165 3.795 3.960 0.000 0.000 0.201 341 G C 0.144 175.051 174.900 0.012 0.000 0.997 341 G CA 0.170 45.276 45.100 0.010 0.000 0.652 341 G HN 0.684 nan 8.290 nan 0.000 0.500 342 K N 0.802 121.209 120.400 0.013 0.000 2.207 342 K HA 0.530 4.850 4.320 0.000 0.000 0.255 342 K C -2.835 173.769 176.600 0.006 0.000 0.941 342 K CA -1.866 54.428 56.287 0.012 0.000 0.825 342 K CB 2.244 34.754 32.500 0.016 0.000 1.119 342 K HN -0.081 nan 8.250 nan 0.000 0.430 343 P HA 0.175 nan 4.420 nan 0.000 0.256 343 P C -0.761 176.540 177.300 0.001 0.000 1.689 343 P CA -0.164 62.937 63.100 0.002 0.000 1.124 343 P CB 0.151 31.852 31.700 0.002 0.000 1.766 344 L N 1.474 122.698 121.223 0.001 0.000 2.436 344 L HA 0.493 4.833 4.340 0.000 0.000 0.265 344 L C 1.103 177.971 176.870 -0.002 0.000 1.168 344 L CA -0.645 54.194 54.840 -0.001 0.000 0.815 344 L CB 0.549 42.607 42.059 -0.002 0.000 1.109 344 L HN 0.256 nan 8.230 nan 0.000 0.462 345 A N 1.499 124.317 122.820 -0.003 0.000 2.239 345 A HA 0.545 4.865 4.320 0.000 0.000 0.303 345 A C 0.987 178.568 177.584 -0.005 0.000 1.114 345 A CA 0.326 52.361 52.037 -0.004 0.000 0.871 345 A CB 0.400 19.398 19.000 -0.004 0.000 1.201 345 A HN 0.862 nan 8.150 nan 0.000 0.506 346 E N -0.119 120.078 120.200 -0.005 0.000 2.150 346 E HA -0.185 4.165 4.350 0.000 0.000 0.193 346 E C 1.115 177.711 176.600 -0.007 0.000 0.985 346 E CA 1.784 58.181 56.400 -0.006 0.000 0.814 346 E CB -0.951 28.746 29.700 -0.005 0.000 0.752 346 E HN 0.848 nan 8.360 nan 0.000 0.466 347 D N -0.357 120.038 120.400 -0.007 0.000 2.348 347 D HA -0.011 4.629 4.640 0.000 0.000 0.216 347 D C 0.587 176.880 176.300 -0.010 0.000 0.970 347 D CA 0.276 54.271 54.000 -0.008 0.000 0.889 347 D CB -0.390 40.405 40.800 -0.008 0.000 0.912 347 D HN 0.300 nan 8.370 nan 0.000 0.524 348 V N 1.349 121.257 119.914 -0.010 0.000 2.485 348 V HA 0.057 4.177 4.120 0.000 0.000 0.287 348 V C 0.143 176.229 176.094 -0.014 0.000 1.022 348 V CA 0.131 62.423 62.300 -0.012 0.000 1.067 348 V CB 0.708 32.525 31.823 -0.010 0.000 0.967 348 V HN 0.161 nan 8.190 nan 0.000 0.479 349 D N 4.866 125.255 120.400 -0.019 0.000 2.462 349 D HA 0.245 4.885 4.640 0.000 0.000 0.249 349 D C 0.566 176.850 176.300 -0.026 0.000 1.117 349 D CA -0.529 53.458 54.000 -0.021 0.000 0.900 349 D CB 1.404 42.191 40.800 -0.021 0.000 1.039 349 D HN 0.256 nan 8.370 nan 0.000 0.516 350 L N 2.826 124.035 121.223 -0.024 0.000 2.191 350 L HA -0.013 4.327 4.340 0.000 0.000 0.212 350 L C 2.307 179.158 176.870 -0.033 0.000 1.103 350 L CA 1.417 56.240 54.840 -0.027 0.000 0.769 350 L CB -0.638 41.410 42.059 -0.020 0.000 0.908 350 L HN 0.506 nan 8.230 nan 0.000 0.438 351 A N -1.152 121.651 122.820 -0.029 0.000 1.930 351 A HA -0.167 4.153 4.320 0.000 0.000 0.217 351 A C 2.231 179.792 177.584 -0.038 0.000 1.175 351 A CA 1.499 53.518 52.037 -0.030 0.000 0.627 351 A CB -0.662 18.325 19.000 -0.023 0.000 0.815 351 A HN 0.335 nan 8.150 nan 0.000 0.443 352 L N -0.537 120.663 121.223 -0.038 0.000 2.093 352 L HA -0.015 4.325 4.340 0.000 0.000 0.208 352 L C 2.220 179.050 176.870 -0.066 0.000 1.085 352 L CA 1.387 56.200 54.840 -0.045 0.000 0.755 352 L CB -0.336 41.701 42.059 -0.038 0.000 0.904 352 L HN 0.418 nan 8.230 nan 0.000 0.435 353 L N -0.914 120.266 121.223 -0.072 0.000 2.083 353 L HA -0.201 4.139 4.340 0.000 0.000 0.209 353 L C 2.496 179.283 176.870 -0.138 0.000 1.083 353 L CA 1.322 56.098 54.840 -0.107 0.000 0.752 353 L CB -0.441 41.565 42.059 -0.089 0.000 0.899 353 L HN 0.425 nan 8.230 nan 0.000 0.433 354 A N -0.210 122.552 122.820 -0.096 0.000 1.933 354 A HA -0.230 4.090 4.320 0.000 0.000 0.218 354 A C 2.235 179.765 177.584 -0.089 0.000 1.175 354 A CA 1.621 53.605 52.037 -0.088 0.000 0.628 354 A CB -0.288 18.681 19.000 -0.052 0.000 0.814 354 A HN 0.364 nan 8.150 nan 0.000 0.444 355 K N -0.682 119.673 120.400 -0.075 0.000 2.148 355 K HA -0.029 4.291 4.320 0.000 0.000 0.204 355 K C 1.290 177.844 176.600 -0.077 0.000 1.050 355 K CA 1.068 57.319 56.287 -0.061 0.000 0.942 355 K CB -0.052 32.421 32.500 -0.045 0.000 0.724 355 K HN 0.350 nan 8.250 nan 0.000 0.446 356 R N 0.862 121.295 120.500 -0.112 0.000 2.515 356 R HA 0.044 4.384 4.340 0.000 0.000 0.294 356 R C 0.165 176.327 176.300 -0.229 0.000 1.021 356 R CA 0.361 56.386 56.100 -0.125 0.000 1.081 356 R CB 0.480 30.720 30.300 -0.099 0.000 1.263 356 R HN 0.112 nan 8.270 nan 0.000 0.557 357 T N -1.807 112.559 114.554 -0.313 0.000 3.533 357 T HA 0.228 4.578 4.350 0.000 0.000 0.275 357 T C -2.431 172.161 174.700 -0.178 0.000 1.000 357 T CA -1.667 60.034 62.100 -0.665 0.000 1.015 357 T CB 0.614 68.763 68.868 -1.198 0.000 1.153 357 T HN -0.065 nan 8.240 nan 0.000 0.504 358 P HA 0.347 nan 4.420 nan 0.000 0.268 358 P C 1.152 178.584 177.300 0.219 0.000 1.204 358 P CA 1.024 64.176 63.100 0.087 0.000 0.768 358 P CB 0.843 32.573 31.700 0.049 0.000 0.842 359 G N 2.153 111.065 108.800 0.187 0.000 2.284 359 G HA2 -0.246 3.714 3.960 0.000 0.000 0.230 359 G HA3 -0.246 3.714 3.960 0.000 0.000 0.230 359 G C 0.029 175.040 174.900 0.186 0.000 1.021 359 G CA -0.469 44.728 45.100 0.162 0.000 0.619 359 G HN 0.395 nan 8.290 nan 0.000 0.510 360 F N 1.476 121.423 119.950 -0.005 0.000 2.589 360 F HA 0.455 4.982 4.527 0.000 0.000 0.352 360 F C 1.232 177.028 175.800 -0.006 0.000 1.168 360 F CA 0.150 58.145 58.000 -0.007 0.000 1.353 360 F CB 0.936 39.932 39.000 -0.008 0.000 1.116 360 F HN 0.517 nan 8.300 nan 0.000 0.608 361 V N -0.159 119.816 119.914 0.101 0.000 3.126 361 V HA 0.757 4.877 4.120 0.000 0.000 0.314 361 V C 0.893 177.023 176.094 0.060 0.000 1.138 361 V CA -0.313 62.023 62.300 0.059 0.000 1.034 361 V CB 1.045 32.871 31.823 0.006 0.000 1.075 361 V HN 0.841 nan 8.190 nan 0.000 0.442 362 G N 0.720 109.548 108.800 0.048 0.000 2.663 362 G HA2 -0.333 3.627 3.960 0.000 0.000 0.222 362 G HA3 -0.333 3.627 3.960 0.000 0.000 0.222 362 G C 1.437 176.333 174.900 -0.006 0.000 1.146 362 G CA 2.128 47.253 45.100 0.042 0.000 0.764 362 G HN 1.649 nan 8.290 nan 0.000 0.608 363 A N 0.786 123.594 122.820 -0.020 0.000 1.873 363 A HA -0.038 4.282 4.320 0.000 0.000 0.215 363 A C 2.114 179.673 177.584 -0.041 0.000 1.186 363 A CA 2.047 54.054 52.037 -0.050 0.000 0.616 363 A CB -0.453 18.519 19.000 -0.048 0.000 0.823 363 A HN 0.357 nan 8.150 nan 0.000 0.442 364 D N 0.284 120.667 120.400 -0.028 0.000 2.133 364 D HA -0.165 4.475 4.640 0.000 0.000 0.195 364 D C 1.954 178.349 176.300 0.158 0.000 0.997 364 D CA 1.459 55.455 54.000 -0.007 0.000 0.840 364 D CB -0.336 40.349 40.800 -0.192 0.000 0.947 364 D HN 0.494 nan 8.370 nan 0.000 0.452 365 L N 0.735 122.056 121.223 0.163 0.000 2.068 365 L HA -0.086 4.254 4.340 0.000 0.000 0.204 365 L C 3.031 179.897 176.870 -0.008 0.000 1.076 365 L CA 1.465 56.377 54.840 0.120 0.000 0.753 365 L CB -0.959 41.167 42.059 0.112 0.000 0.910 365 L HN 0.016 nan 8.230 nan 0.000 0.439 366 E N 1.015 121.130 120.200 -0.141 0.000 2.118 366 E HA -0.278 4.072 4.350 0.000 0.000 0.195 366 E C 1.783 178.288 176.600 -0.158 0.000 0.992 366 E CA 2.060 58.252 56.400 -0.348 0.000 0.804 366 E CB -1.017 28.343 29.700 -0.566 0.000 0.741 366 E HN 0.612 nan 8.360 nan 0.000 0.458 367 N N -0.283 118.367 118.700 -0.083 0.000 2.080 367 N HA 0.008 4.748 4.740 0.000 0.000 0.189 367 N C 1.917 177.424 175.510 -0.006 0.000 1.036 367 N CA 1.143 54.169 53.050 -0.041 0.000 0.846 367 N CB -0.215 38.254 38.487 -0.029 0.000 1.015 367 N HN 0.421 nan 8.380 nan 0.000 0.423 368 L N 0.798 122.041 121.223 0.033 0.000 2.021 368 L HA -0.240 4.100 4.340 0.000 0.000 0.215 368 L C 1.869 178.754 176.870 0.024 0.000 1.074 368 L CA 1.428 56.301 54.840 0.055 0.000 0.760 368 L CB -0.321 41.802 42.059 0.107 0.000 0.889 368 L HN 0.273 nan 8.230 nan 0.000 0.433 369 L N -0.143 121.088 121.223 0.013 0.000 2.042 369 L HA -0.288 4.052 4.340 0.000 0.000 0.210 369 L C 2.362 179.235 176.870 0.005 0.000 1.076 369 L CA 1.936 56.783 54.840 0.011 0.000 0.749 369 L CB -0.617 41.454 42.059 0.021 0.000 0.893 369 L HN 0.479 nan 8.230 nan 0.000 0.432 370 N N -0.303 118.393 118.700 -0.006 0.000 2.080 370 N HA -0.209 4.531 4.740 0.000 0.000 0.189 370 N C 1.792 177.301 175.510 -0.000 0.000 1.036 370 N CA 1.250 54.297 53.050 -0.005 0.000 0.846 370 N CB 0.071 38.548 38.487 -0.017 0.000 1.015 370 N HN 0.115 nan 8.380 nan 0.000 0.423 371 E N 0.262 120.463 120.200 0.001 0.000 2.118 371 E HA -0.143 4.207 4.350 0.000 0.000 0.195 371 E C 1.866 178.470 176.600 0.006 0.000 0.992 371 E CA 1.100 57.503 56.400 0.005 0.000 0.804 371 E CB -0.622 29.083 29.700 0.009 0.000 0.741 371 E HN 0.523 nan 8.360 nan 0.000 0.458 372 A N 1.142 123.967 122.820 0.008 0.000 2.019 372 A HA -0.058 4.262 4.320 0.000 0.000 0.219 372 A C 2.352 179.939 177.584 0.005 0.000 1.164 372 A CA 1.796 53.838 52.037 0.007 0.000 0.644 372 A CB -0.364 18.639 19.000 0.007 0.000 0.805 372 A HN 0.257 nan 8.150 nan 0.000 0.449 373 A N -0.474 122.349 122.820 0.005 0.000 1.968 373 A HA 0.121 4.441 4.320 0.000 0.000 0.217 373 A C 2.101 179.687 177.584 0.004 0.000 1.169 373 A CA 1.177 53.217 52.037 0.005 0.000 0.638 373 A CB -0.405 18.599 19.000 0.006 0.000 0.812 373 A HN 0.457 nan 8.150 nan 0.000 0.446 374 L N -0.642 120.583 121.223 0.003 0.000 2.072 374 L HA -0.143 4.197 4.340 0.000 0.000 0.205 374 L C 3.131 180.003 176.870 0.002 0.000 1.079 374 L CA 1.083 55.925 54.840 0.002 0.000 0.752 374 L CB -0.777 41.283 42.059 0.001 0.000 0.906 374 L HN 0.442 nan 8.230 nan 0.000 0.436 375 L N -0.594 120.631 121.223 0.003 0.000 2.127 375 L HA -0.099 4.241 4.340 0.000 0.000 0.211 375 L C 2.784 179.655 176.870 0.002 0.000 1.089 375 L CA 2.336 57.177 54.840 0.002 0.000 0.757 375 L CB -1.938 40.123 42.059 0.003 0.000 0.899 375 L HN 0.365 nan 8.230 nan 0.000 0.434 376 A N -0.602 122.219 122.820 0.002 0.000 1.841 376 A HA 0.142 4.462 4.320 0.000 0.000 0.214 376 A C 2.823 180.408 177.584 0.001 0.000 1.195 376 A CA 2.368 54.406 52.037 0.002 0.000 0.611 376 A CB -1.110 17.891 19.000 0.002 0.000 0.835 376 A HN 1.290 nan 8.150 nan 0.000 0.443 377 A N 0.058 122.879 122.820 0.002 0.000 1.930 377 A HA -0.150 4.170 4.320 0.000 0.000 0.217 377 A C 2.226 179.810 177.584 0.001 0.000 1.175 377 A CA 1.803 53.841 52.037 0.001 0.000 0.627 377 A CB -0.519 18.482 19.000 0.002 0.000 0.815 377 A HN 0.640 nan 8.150 nan 0.000 0.443 378 R N 0.094 120.595 120.500 0.001 0.000 2.193 378 R HA -0.081 4.259 4.340 0.000 0.000 0.229 378 R C 0.895 177.196 176.300 0.001 0.000 1.110 378 R CA 1.762 57.863 56.100 0.001 0.000 0.988 378 R CB -0.216 30.084 30.300 0.001 0.000 0.871 378 R HN 0.567 nan 8.270 nan 0.000 0.458 379 E N -0.775 119.426 120.200 0.001 0.000 2.501 379 E HA 0.133 4.483 4.350 0.000 0.000 0.201 379 E C 0.549 177.149 176.600 0.000 0.000 1.016 379 E CA 0.258 56.658 56.400 0.001 0.000 0.920 379 E CB 0.983 30.683 29.700 0.001 0.000 1.023 379 E HN 0.621 nan 8.360 nan 0.000 0.474 380 G N 1.431 110.231 108.800 0.001 0.000 2.220 380 G HA2 -0.440 3.520 3.960 0.000 0.000 0.269 380 G HA3 -0.440 3.520 3.960 0.000 0.000 0.269 380 G C 0.776 175.677 174.900 0.000 0.000 0.977 380 G CA 0.608 45.708 45.100 0.001 0.000 0.634 380 G HN 0.506 nan 8.290 nan 0.000 0.539 381 R N -0.382 120.119 120.500 0.000 0.000 2.698 381 R HA 0.685 5.025 4.340 0.000 0.000 0.266 381 R C 1.393 177.694 176.300 0.000 0.000 1.026 381 R CA 1.757 57.857 56.100 0.000 0.000 1.102 381 R CB -0.519 29.781 30.300 0.000 0.000 0.978 381 R HN 1.785 nan 8.270 nan 0.000 0.436 382 R N 1.007 121.507 120.500 0.000 0.000 2.359 382 R HA 0.258 4.598 4.340 0.000 0.000 0.231 382 R C 0.274 176.574 176.300 0.000 0.000 0.913 382 R CA 0.973 57.073 56.100 0.000 0.000 1.075 382 R CB -0.312 29.988 30.300 0.000 0.000 1.087 382 R HN 0.721 nan 8.270 nan 0.000 0.515 383 K N -0.324 120.076 120.400 0.000 0.000 2.557 383 K HA 0.453 4.773 4.320 0.000 0.000 0.257 383 K C -1.322 175.278 176.600 0.000 0.000 0.933 383 K CA -0.632 55.655 56.287 0.000 0.000 0.820 383 K CB 2.294 34.794 32.500 -0.001 0.000 1.330 383 K HN 0.153 nan 8.250 nan 0.000 0.432 384 I N 3.336 123.906 120.570 0.000 0.000 2.452 384 I HA 0.040 4.210 4.170 0.000 0.000 0.287 384 I C 0.980 177.096 176.117 -0.002 0.000 1.079 384 I CA 0.104 61.404 61.300 0.000 0.000 1.387 384 I CB 0.706 38.707 38.000 0.002 0.000 1.404 384 I HN 0.652 nan 8.210 nan 0.000 0.522 385 T N 2.191 116.743 114.554 -0.002 0.000 2.862 385 T HA 0.239 4.589 4.350 0.000 0.000 0.276 385 T C 0.767 175.463 174.700 -0.006 0.000 0.974 385 T CA -0.835 61.263 62.100 -0.004 0.000 0.966 385 T CB 1.413 70.279 68.868 -0.004 0.000 1.072 385 T HN 0.568 nan 8.240 nan 0.000 0.538 386 M N 0.492 120.087 119.600 -0.008 0.000 2.213 386 M HA 0.058 4.538 4.480 0.000 0.000 0.263 386 M C 1.965 178.258 176.300 -0.011 0.000 1.062 386 M CA 1.560 56.853 55.300 -0.012 0.000 1.105 386 M CB -0.824 31.768 32.600 -0.014 0.000 1.385 386 M HN 0.532 nan 8.290 nan 0.000 0.417 387 K N 0.773 121.168 120.400 -0.008 0.000 1.991 387 K HA -0.161 4.159 4.320 0.000 0.000 0.212 387 K C 1.662 178.260 176.600 -0.004 0.000 1.049 387 K CA 1.948 58.232 56.287 -0.006 0.000 0.932 387 K CB -1.027 31.471 32.500 -0.004 0.000 0.717 387 K HN 0.424 nan 8.250 nan 0.000 0.441 388 D N 1.082 121.480 120.400 -0.002 0.000 2.126 388 D HA -0.213 4.427 4.640 0.000 0.000 0.190 388 D C 2.191 178.491 176.300 0.000 0.000 1.001 388 D CA 1.124 55.124 54.000 0.000 0.000 0.841 388 D CB -0.485 40.316 40.800 0.001 0.000 0.949 388 D HN 0.146 nan 8.370 nan 0.000 0.446 389 L N 0.832 122.053 121.223 -0.004 0.000 1.990 389 L HA -0.225 4.115 4.340 0.000 0.000 0.213 389 L C 2.508 179.372 176.870 -0.010 0.000 1.072 389 L CA 1.501 56.336 54.840 -0.008 0.000 0.755 389 L CB -0.482 41.567 42.059 -0.016 0.000 0.889 389 L HN 0.054 nan 8.230 nan 0.000 0.432 390 E N -0.316 119.876 120.200 -0.013 0.000 2.077 390 E HA -0.238 4.112 4.350 0.000 0.000 0.193 390 E C 2.368 178.969 176.600 0.003 0.000 0.989 390 E CA 1.396 57.788 56.400 -0.013 0.000 0.800 390 E CB -0.170 29.521 29.700 -0.014 0.000 0.746 390 E HN 0.644 nan 8.360 nan 0.000 0.452 391 E N 1.356 121.559 120.200 0.005 0.000 2.028 391 E HA 0.001 4.351 4.350 0.000 0.000 0.191 391 E C 1.875 178.487 176.600 0.020 0.000 0.988 391 E CA 0.967 57.374 56.400 0.011 0.000 0.799 391 E CB -0.888 28.817 29.700 0.007 0.000 0.755 391 E HN 0.300 nan 8.360 nan 0.000 0.447 392 A N 1.657 124.488 122.820 0.019 0.000 1.969 392 A HA 0.173 4.493 4.320 0.000 0.000 0.197 392 A C 1.550 179.164 177.584 0.050 0.000 1.462 392 A CA 1.113 53.166 52.037 0.027 0.000 1.363 392 A CB -2.079 16.936 19.000 0.023 0.000 0.696 392 A HN 1.294 nan 8.150 nan 0.000 0.597 393 S N 0.000 115.742 115.700 0.070 0.000 2.498 393 S HA 0.000 4.470 4.470 0.000 0.000 0.327 393 S CA 0.000 58.232 58.200 0.054 0.000 1.107 393 S CB 0.000 63.224 63.200 0.040 0.000 0.593 393 S HN 0.000 nan 8.310 nan 0.000 0.517