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 2dhr_1_E DATA FIRST_RESID 143 DATA SEQUENCE RARVLTEAPK VTFKDVAGAE EAKEELKEIV EFLKNPSRFH EMGARIPKGV DATA SEQUENCE LLVGPPGVGK THLARAVAGE ARVPFITASG SDFVEMFVGV GAARVRDLFE DATA SEQUENCE TAKRHAPCIV FIDEIDAVGR KRGSGVGGGN DEREQTLNQL LVEMDGFEKD DATA SEQUENCE TAIVVMAATN RPDILDPALL RPGRFDRQIA IDAPDVKGRE QILRIHARGK DATA SEQUENCE PLAEDVDLAL LAKRTPGFVG ADLENLLNEA ALLAAREGRR KITMKDLEEA DATA SEQUENCE ADRVMMLPAK KSLVLSPRDR RITAYHEAGH ALAAHFLEHA DGVHKVTIVP DATA SEQUENCE RGRALGFMMP RREDMLHWSR KRLLDQIAVA LAGRAAEEIV FDDVTTGAEN DATA SEQUENCE DFRQATELAR RMITEWGMHP EFGPVAYAVR EDTYLGGYDV RQYSEETAKR DATA SEQUENCE IDEAVRRLIE EQYQRVKALL LEKREVLERV AETLLERETL TAEEFQRVVE DATA SEQUENCE GLPLEAPE 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 143 R HA 0.000 nan 4.340 nan 0.000 0.208 143 R C 0.000 176.250 176.300 -0.084 0.000 0.893 143 R CA 0.000 56.066 56.100 -0.056 0.000 0.921 143 R CB 0.000 30.271 30.300 -0.049 0.000 0.687 144 A N 0.485 123.260 122.820 -0.075 0.000 2.791 144 A HA 0.876 5.195 4.320 -0.000 0.000 0.309 144 A C -1.063 176.483 177.584 -0.063 0.000 1.200 144 A CA -0.405 51.581 52.037 -0.083 0.000 0.635 144 A CB 0.840 19.790 19.000 -0.084 0.000 1.393 144 A HN 0.885 nan 8.150 nan 0.000 0.557 145 R N 0.677 121.139 120.500 -0.064 0.000 2.230 145 R HA 0.522 4.862 4.340 -0.000 0.000 0.337 145 R C -1.247 175.023 176.300 -0.051 0.000 1.063 145 R CA -0.152 55.921 56.100 -0.044 0.000 0.935 145 R CB 0.133 30.413 30.300 -0.033 0.000 1.121 145 R HN 0.542 nan 8.270 nan 0.000 0.486 146 V N 4.885 124.789 119.914 -0.015 0.000 2.481 146 V HA 0.326 4.446 4.120 -0.000 0.000 0.286 146 V C 0.345 176.477 176.094 0.064 0.000 1.042 146 V CA -0.827 61.482 62.300 0.015 0.000 0.928 146 V CB 1.671 33.517 31.823 0.039 0.000 0.986 146 V HN 0.628 nan 8.190 nan 0.000 0.462 147 L N 4.715 126.005 121.223 0.112 0.000 2.356 147 L HA 0.383 4.723 4.340 -0.000 0.000 0.264 147 L C 0.473 177.431 176.870 0.147 0.000 1.029 147 L CA 0.054 54.983 54.840 0.148 0.000 0.897 147 L CB 1.238 43.437 42.059 0.234 0.000 1.256 147 L HN 0.932 nan 8.230 nan 0.000 0.444 148 T N -0.495 114.127 114.554 0.114 0.000 2.865 148 T HA 0.251 4.601 4.350 -0.000 0.000 0.302 148 T C 0.910 175.648 174.700 0.062 0.000 1.078 148 T CA -0.472 61.685 62.100 0.095 0.000 0.942 148 T CB 1.290 70.207 68.868 0.081 0.000 1.387 148 T HN 0.595 nan 8.240 nan 0.000 0.557 149 E N -0.314 119.906 120.200 0.035 0.000 4.931 149 E HA -0.302 4.047 4.350 -0.000 0.000 0.176 149 E C 0.101 176.712 176.600 0.019 0.000 1.336 149 E CA 1.488 57.900 56.400 0.020 0.000 2.234 149 E CB -1.097 28.616 29.700 0.022 0.000 1.887 149 E HN 1.117 nan 8.360 nan 0.000 0.354 150 A N -0.236 122.603 122.820 0.032 0.000 2.272 150 A HA 0.384 4.704 4.320 -0.000 0.000 0.286 150 A C -2.913 174.690 177.584 0.032 0.000 0.977 150 A CA -0.820 51.233 52.037 0.026 0.000 0.822 150 A CB 0.344 19.351 19.000 0.011 0.000 0.955 150 A HN 0.043 nan 8.150 nan 0.000 0.349 151 P HA 0.511 nan 4.420 nan 0.000 0.274 151 P C -0.201 177.096 177.300 -0.004 0.000 1.231 151 P CA -0.107 63.005 63.100 0.021 0.000 0.790 151 P CB 0.807 32.506 31.700 -0.001 0.000 0.951 152 K N -0.153 120.245 120.400 -0.003 0.000 2.520 152 K HA 0.625 4.945 4.320 -0.000 0.000 0.256 152 K C -0.646 175.930 176.600 -0.039 0.000 1.033 152 K CA -1.088 55.193 56.287 -0.010 0.000 1.007 152 K CB -0.091 32.414 32.500 0.008 0.000 1.330 152 K HN 0.097 nan 8.250 nan 0.000 0.507 153 V N -0.712 119.184 119.914 -0.031 0.000 3.411 153 V HA -0.178 3.942 4.120 -0.000 0.000 0.484 153 V C -0.400 175.638 176.094 -0.092 0.000 0.682 153 V CA 0.906 63.164 62.300 -0.071 0.000 2.023 153 V CB -1.700 30.056 31.823 -0.113 0.000 2.468 153 V HN 1.238 nan 8.190 nan 0.000 0.502 154 T N 2.834 117.355 114.554 -0.054 0.000 2.696 154 T HA 0.728 5.077 4.350 -0.000 0.000 0.291 154 T C 0.510 175.258 174.700 0.080 0.000 1.095 154 T CA -0.047 62.080 62.100 0.044 0.000 1.026 154 T CB 1.385 70.286 68.868 0.054 0.000 1.390 154 T HN 0.235 nan 8.240 nan 0.000 0.513 155 F N 1.117 121.001 119.950 -0.111 0.000 2.408 155 F HA 0.061 4.588 4.527 -0.000 0.000 0.300 155 F C 2.657 178.419 175.800 -0.062 0.000 1.090 155 F CA 0.917 58.862 58.000 -0.092 0.000 1.427 155 F CB 0.174 39.133 39.000 -0.069 0.000 1.070 155 F HN 0.590 nan 8.300 nan 0.000 0.549 156 K N -0.251 120.218 120.400 0.115 0.000 2.228 156 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 156 K C 0.349 176.964 176.600 0.026 0.000 1.051 156 K CA 1.412 57.733 56.287 0.056 0.000 0.960 156 K CB -0.222 32.304 32.500 0.043 0.000 0.743 156 K HN 0.134 nan 8.250 nan 0.000 0.458 157 D N 1.463 121.868 120.400 0.009 0.000 2.325 157 D HA 0.101 4.741 4.640 -0.000 0.000 0.225 157 D C -0.475 175.829 176.300 0.006 0.000 1.096 157 D CA 0.088 54.099 54.000 0.019 0.000 0.844 157 D CB 0.702 41.516 40.800 0.022 0.000 0.925 157 D HN -0.060 nan 8.370 nan 0.000 0.513 158 V N 0.966 120.835 119.914 -0.075 0.000 2.487 158 V HA 0.630 4.750 4.120 -0.000 0.000 0.298 158 V C -0.189 175.872 176.094 -0.055 0.000 1.028 158 V CA -1.034 61.202 62.300 -0.106 0.000 0.860 158 V CB 1.770 33.363 31.823 -0.384 0.000 0.991 158 V HN 0.079 nan 8.190 nan 0.000 0.427 159 A N 3.783 126.592 122.820 -0.019 0.000 2.312 159 A HA 0.899 5.219 4.320 -0.000 0.000 0.326 159 A C 0.891 178.457 177.584 -0.031 0.000 1.172 159 A CA 0.401 52.419 52.037 -0.032 0.000 0.821 159 A CB 0.941 19.908 19.000 -0.054 0.000 1.166 159 A HN 1.964 nan 8.150 nan 0.000 0.493 160 G N 1.401 110.188 108.800 -0.021 0.000 2.565 160 G HA2 0.130 4.090 3.960 -0.000 0.000 0.295 160 G HA3 0.130 4.090 3.960 -0.000 0.000 0.295 160 G C 1.177 176.066 174.900 -0.018 0.000 1.165 160 G CA 1.952 47.043 45.100 -0.014 0.000 0.977 160 G HN 2.617 nan 8.290 nan 0.000 0.546 161 A N -1.199 121.609 122.820 -0.020 0.000 2.715 161 A HA -0.197 4.123 4.320 -0.000 0.000 0.301 161 A C 1.395 178.973 177.584 -0.010 0.000 1.515 161 A CA 2.667 54.687 52.037 -0.027 0.000 0.816 161 A CB -1.470 17.488 19.000 -0.069 0.000 1.004 161 A HN 1.500 nan 8.150 nan 0.000 0.483 162 E N 0.030 120.235 120.200 0.008 0.000 2.031 162 E HA -0.117 4.232 4.350 -0.000 0.000 0.193 162 E C 1.565 178.185 176.600 0.033 0.000 0.994 162 E CA 1.668 58.084 56.400 0.027 0.000 0.800 162 E CB -0.208 29.506 29.700 0.025 0.000 0.752 162 E HN 0.746 nan 8.360 nan 0.000 0.447 163 E N -0.855 119.359 120.200 0.024 0.000 2.501 163 E HA -0.065 4.284 4.350 -0.000 0.000 0.203 163 E C 0.873 177.491 176.600 0.031 0.000 1.072 163 E CA 0.789 57.204 56.400 0.026 0.000 0.885 163 E CB 0.020 29.732 29.700 0.019 0.000 0.813 163 E HN 0.307 nan 8.360 nan 0.000 0.556 164 A N -0.521 122.318 122.820 0.032 0.000 1.964 164 A HA 0.127 4.447 4.320 -0.000 0.000 0.198 164 A C 1.708 179.339 177.584 0.078 0.000 1.599 164 A CA -0.008 52.053 52.037 0.038 0.000 0.968 164 A CB 0.195 19.199 19.000 0.007 0.000 1.029 164 A HN -0.012 nan 8.150 nan 0.000 0.508 165 K N 0.387 120.839 120.400 0.086 0.000 1.987 165 K HA -0.211 4.109 4.320 -0.000 0.000 0.216 165 K C 1.886 178.633 176.600 0.245 0.000 1.051 165 K CA 2.044 58.473 56.287 0.237 0.000 0.942 165 K CB -0.243 32.384 32.500 0.210 0.000 0.722 165 K HN 0.551 nan 8.250 nan 0.000 0.444 166 E N 0.407 120.690 120.200 0.138 0.000 2.110 166 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 166 E C 1.933 178.578 176.600 0.076 0.000 0.988 166 E CA 0.842 57.295 56.400 0.088 0.000 0.804 166 E CB 0.126 29.863 29.700 0.061 0.000 0.745 166 E HN 0.246 nan 8.360 nan 0.000 0.458 167 E N 0.010 120.257 120.200 0.078 0.000 2.418 167 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 167 E C 1.707 178.352 176.600 0.075 0.000 1.026 167 E CA 0.345 56.785 56.400 0.066 0.000 0.862 167 E CB 0.237 29.971 29.700 0.056 0.000 0.799 167 E HN 0.277 nan 8.360 nan 0.000 0.518 168 L N -0.151 121.139 121.223 0.111 0.000 2.463 168 L HA 0.042 4.382 4.340 -0.000 0.000 0.219 168 L C 2.237 179.154 176.870 0.080 0.000 1.088 168 L CA 0.142 55.057 54.840 0.125 0.000 0.849 168 L CB 0.111 42.300 42.059 0.217 0.000 1.012 168 L HN -0.093 nan 8.230 nan 0.000 0.468 169 K N 0.602 121.032 120.400 0.050 0.000 2.293 169 K HA -0.251 4.069 4.320 -0.000 0.000 0.204 169 K C 1.711 178.290 176.600 -0.035 0.000 1.045 169 K CA 1.940 58.197 56.287 -0.050 0.000 0.933 169 K CB 0.095 32.569 32.500 -0.043 0.000 0.736 169 K HN 0.557 nan 8.250 nan 0.000 0.463 170 E N -0.095 120.110 120.200 0.008 0.000 2.230 170 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 170 E C 1.836 178.405 176.600 -0.051 0.000 0.987 170 E CA 0.340 56.752 56.400 0.020 0.000 0.841 170 E CB -0.022 29.721 29.700 0.071 0.000 0.783 170 E HN 0.095 nan 8.360 nan 0.000 0.481 171 I N 1.560 122.107 120.570 -0.038 0.000 2.353 171 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 171 I C 2.273 178.375 176.117 -0.024 0.000 1.119 171 I CA 0.663 61.931 61.300 -0.054 0.000 1.417 171 I CB -0.244 37.750 38.000 -0.011 0.000 1.078 171 I HN 0.092 nan 8.210 nan 0.000 0.421 172 V N 0.780 120.668 119.914 -0.044 0.000 2.261 172 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 172 V C 2.250 178.288 176.094 -0.094 0.000 1.047 172 V CA 1.700 63.951 62.300 -0.082 0.000 1.015 172 V CB -0.616 31.088 31.823 -0.198 0.000 0.642 172 V HN 0.390 nan 8.190 nan 0.000 0.446 173 E N -0.836 119.305 120.200 -0.099 0.000 2.338 173 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 173 E C 1.860 178.357 176.600 -0.172 0.000 1.007 173 E CA 0.986 57.331 56.400 -0.091 0.000 0.849 173 E CB -0.158 29.539 29.700 -0.004 0.000 0.774 173 E HN 0.684 nan 8.360 nan 0.000 0.506 174 F N 0.655 120.329 119.950 -0.460 0.000 2.206 174 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 174 F C 1.596 177.218 175.800 -0.296 0.000 1.090 174 F CA 0.798 58.434 58.000 -0.607 0.000 1.323 174 F CB 0.156 38.738 39.000 -0.697 0.000 1.028 174 F HN -0.030 nan 8.300 nan 0.000 0.492 175 L N 0.679 121.774 121.223 -0.213 0.000 2.072 175 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 175 L C 2.275 179.012 176.870 -0.221 0.000 1.079 175 L CA 1.468 56.175 54.840 -0.222 0.000 0.752 175 L CB -1.548 40.475 42.059 -0.059 0.000 0.906 175 L HN 0.141 nan 8.230 nan 0.000 0.436 176 K N 0.276 120.574 120.400 -0.171 0.000 1.969 176 K HA -0.159 4.161 4.320 -0.000 0.000 0.216 176 K C 0.260 176.767 176.600 -0.155 0.000 1.048 176 K CA 1.586 57.793 56.287 -0.134 0.000 0.948 176 K CB -0.102 32.337 32.500 -0.101 0.000 0.726 176 K HN 0.232 nan 8.250 nan 0.000 0.442 177 N N 0.182 118.781 118.700 -0.169 0.000 2.804 177 N HA 0.121 4.861 4.740 -0.000 0.000 0.251 177 N C -2.326 173.033 175.510 -0.253 0.000 1.250 177 N CA -1.086 51.872 53.050 -0.153 0.000 0.820 177 N CB 1.685 40.146 38.487 -0.044 0.000 1.156 177 N HN 0.012 nan 8.380 nan 0.000 0.512 178 P HA -0.077 nan 4.420 nan 0.000 0.225 178 P C 1.170 178.040 177.300 -0.716 0.000 1.156 178 P CA 0.756 63.346 63.100 -0.849 0.000 0.787 178 P CB 0.463 31.611 31.700 -0.921 0.000 0.802 179 S N -0.755 114.758 115.700 -0.310 0.000 2.547 179 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 179 S C 1.510 176.065 174.600 -0.075 0.000 0.980 179 S CA 0.382 58.501 58.200 -0.136 0.000 0.941 179 S CB -0.694 62.471 63.200 -0.059 0.000 0.763 179 S HN -0.045 nan 8.310 nan 0.000 0.532 180 R N -0.932 119.541 120.500 -0.045 0.000 2.700 180 R HA 0.441 4.781 4.340 -0.000 0.000 0.377 180 R C -0.296 176.040 176.300 0.061 0.000 1.130 180 R CA 0.039 56.147 56.100 0.014 0.000 1.055 180 R CB 0.055 30.372 30.300 0.027 0.000 1.387 180 R HN 0.379 nan 8.270 nan 0.000 0.580 181 F N -2.886 116.988 119.950 -0.127 0.000 2.675 181 F HA 0.154 4.681 4.527 -0.000 0.000 0.315 181 F C 1.657 177.512 175.800 0.092 0.000 0.888 181 F CA -0.050 57.951 58.000 0.001 0.000 1.100 181 F CB 0.357 39.441 39.000 0.140 0.000 0.908 181 F HN 0.105 nan 8.300 nan 0.000 0.657 182 H N 0.127 119.366 119.070 0.283 0.000 2.353 182 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 182 H C 1.847 177.234 175.328 0.099 0.000 1.090 182 H CA 1.665 57.822 56.048 0.183 0.000 1.327 182 H CB -0.299 29.545 29.762 0.137 0.000 1.383 182 H HN 0.284 nan 8.280 nan 0.000 0.508 183 E N -0.106 120.198 120.200 0.173 0.000 2.452 183 E HA -0.005 4.345 4.350 -0.000 0.000 0.197 183 E C 1.686 178.306 176.600 0.033 0.000 1.022 183 E CA -0.126 56.328 56.400 0.091 0.000 0.890 183 E CB 0.390 30.132 29.700 0.071 0.000 0.918 183 E HN 0.205 nan 8.360 nan 0.000 0.496 184 M N -0.604 118.996 119.600 -0.000 0.000 2.095 184 M HA 0.063 4.543 4.480 -0.000 0.000 0.257 184 M C 1.831 178.106 176.300 -0.042 0.000 1.089 184 M CA 2.113 57.378 55.300 -0.058 0.000 1.138 184 M CB -0.289 32.215 32.600 -0.160 0.000 1.303 184 M HN 0.316 nan 8.290 nan 0.000 0.422 185 G N -1.916 106.863 108.800 -0.035 0.000 3.827 185 G HA2 0.212 4.172 3.960 -0.000 0.000 0.218 185 G HA3 0.212 4.172 3.960 -0.000 0.000 0.218 185 G C 0.262 175.159 174.900 -0.005 0.000 0.892 185 G CA 0.168 45.259 45.100 -0.014 0.000 0.857 185 G HN 0.686 nan 8.290 nan 0.000 0.508 186 A N 0.196 122.996 122.820 -0.034 0.000 2.275 186 A HA 0.893 5.213 4.320 -0.000 0.000 0.282 186 A C 0.487 178.136 177.584 0.108 0.000 1.275 186 A CA 0.161 52.202 52.037 0.007 0.000 0.842 186 A CB 0.641 19.604 19.000 -0.063 0.000 1.280 186 A HN 0.529 nan 8.150 nan 0.000 0.508 187 R N -1.046 119.537 120.500 0.138 0.000 2.774 187 R HA 0.583 4.923 4.340 -0.000 0.000 0.272 187 R C -1.994 174.352 176.300 0.076 0.000 1.000 187 R CA -0.643 55.532 56.100 0.124 0.000 0.906 187 R CB 1.327 31.660 30.300 0.055 0.000 1.227 187 R HN 0.604 nan 8.270 nan 0.000 0.468 188 I N 3.710 124.212 120.570 -0.113 0.000 2.569 188 I HA 0.306 4.476 4.170 -0.000 0.000 0.296 188 I C -1.475 174.450 176.117 -0.320 0.000 1.028 188 I CA -2.593 58.496 61.300 -0.352 0.000 1.082 188 I CB 2.089 39.473 38.000 -1.026 0.000 1.264 188 I HN 0.557 nan 8.210 nan 0.000 0.429 189 P HA -0.284 nan 4.420 nan 0.000 0.229 189 P C 0.648 177.818 177.300 -0.216 0.000 1.152 189 P CA 2.233 65.223 63.100 -0.182 0.000 0.915 189 P CB 0.185 31.793 31.700 -0.154 0.000 0.784 190 K N -4.166 116.055 120.400 -0.299 0.000 3.507 190 K HA -0.186 4.133 4.320 -0.000 0.000 0.287 190 K C 0.866 177.279 176.600 -0.313 0.000 0.922 190 K CA 1.461 57.581 56.287 -0.278 0.000 1.216 190 K CB -2.020 30.410 32.500 -0.117 0.000 1.428 190 K HN 0.496 nan 8.250 nan 0.000 0.453 191 G N -0.190 108.392 108.800 -0.364 0.000 2.746 191 G HA2 0.578 4.538 3.960 -0.000 0.000 0.297 191 G HA3 0.578 4.538 3.960 -0.000 0.000 0.297 191 G C -1.568 173.162 174.900 -0.283 0.000 1.426 191 G CA -0.460 44.272 45.100 -0.614 0.000 0.989 191 G HN 0.032 nan 8.290 nan 0.000 0.520 192 V N 2.279 122.191 119.914 -0.004 0.000 2.569 192 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 192 V C -0.673 175.690 176.094 0.449 0.000 1.044 192 V CA -0.744 61.690 62.300 0.224 0.000 0.874 192 V CB 1.571 33.473 31.823 0.132 0.000 1.002 192 V HN 0.839 nan 8.190 nan 0.000 0.424 193 L N 7.529 129.020 121.223 0.447 0.000 2.265 193 L HA 0.695 5.034 4.340 -0.000 0.000 0.288 193 L C -0.421 176.536 176.870 0.145 0.000 1.058 193 L CA 0.177 55.155 54.840 0.229 0.000 0.809 193 L CB 0.972 43.047 42.059 0.028 0.000 1.179 193 L HN 0.657 nan 8.230 nan 0.000 0.429 194 L N 4.266 125.574 121.223 0.141 0.000 2.322 194 L HA 0.897 5.237 4.340 -0.000 0.000 0.279 194 L C -0.838 176.076 176.870 0.073 0.000 1.036 194 L CA -0.778 54.125 54.840 0.106 0.000 0.807 194 L CB 1.721 43.854 42.059 0.123 0.000 1.226 194 L HN 0.372 nan 8.230 nan 0.000 0.433 195 V N 1.989 121.932 119.914 0.047 0.000 2.656 195 V HA 0.991 5.111 4.120 -0.000 0.000 0.307 195 V C 0.372 176.479 176.094 0.021 0.000 1.051 195 V CA 0.313 62.627 62.300 0.025 0.000 0.893 195 V CB 1.580 33.408 31.823 0.007 0.000 0.999 195 V HN 1.200 nan 8.190 nan 0.000 0.426 196 G N 4.943 113.752 108.800 0.015 0.000 2.340 196 G HA2 0.545 4.505 3.960 -0.000 0.000 0.299 196 G HA3 0.545 4.505 3.960 -0.000 0.000 0.299 196 G C -3.449 171.452 174.900 0.002 0.000 1.291 196 G CA -0.675 44.431 45.100 0.009 0.000 0.841 196 G HN 0.508 nan 8.290 nan 0.000 0.500 197 P HA 0.291 nan 4.420 nan 0.000 0.296 197 P C -2.536 174.759 177.300 -0.008 0.000 1.295 197 P CA -0.788 62.304 63.100 -0.013 0.000 0.754 197 P CB -0.081 31.606 31.700 -0.022 0.000 1.311 198 P HA 0.207 nan 4.420 nan 0.000 0.291 198 P C -0.007 177.281 177.300 -0.020 0.000 1.340 198 P CA 0.066 63.157 63.100 -0.014 0.000 0.799 198 P CB -0.016 31.669 31.700 -0.025 0.000 0.917 199 G N 2.358 111.160 108.800 0.003 0.000 2.401 199 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.283 199 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.283 199 G C 0.340 175.235 174.900 -0.009 0.000 1.117 199 G CA -0.098 45.002 45.100 -0.001 0.000 1.051 199 G HN 0.463 nan 8.290 nan 0.000 0.510 200 V N -0.462 119.459 119.914 0.011 0.000 3.125 200 V HA 0.583 4.703 4.120 -0.000 0.000 0.249 200 V C 1.947 178.052 176.094 0.019 0.000 1.113 200 V CA 2.507 64.811 62.300 0.007 0.000 1.106 200 V CB 0.428 32.258 31.823 0.011 0.000 0.768 200 V HN 2.046 nan 8.190 nan 0.000 0.468 201 G N -0.879 107.949 108.800 0.046 0.000 3.290 201 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.220 201 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.220 201 G C 0.782 175.747 174.900 0.109 0.000 0.940 201 G CA 0.236 45.391 45.100 0.093 0.000 0.884 201 G HN 0.279 nan 8.290 nan 0.000 0.649 202 K N 0.307 120.768 120.400 0.102 0.000 1.963 202 K HA -0.046 4.274 4.320 -0.000 0.000 0.216 202 K C 2.502 179.167 176.600 0.108 0.000 1.045 202 K CA 1.927 58.290 56.287 0.127 0.000 0.954 202 K CB -0.525 32.082 32.500 0.177 0.000 0.732 202 K HN 0.186 nan 8.250 nan 0.000 0.442 203 T N 0.413 115.062 114.554 0.158 0.000 2.737 203 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 203 T C 1.744 176.370 174.700 -0.124 0.000 1.040 203 T CA 1.817 63.869 62.100 -0.079 0.000 1.142 203 T CB -0.503 68.458 68.868 0.155 0.000 0.861 203 T HN 0.331 nan 8.240 nan 0.000 0.456 204 H N 0.655 119.667 119.070 -0.096 0.000 2.319 204 H HA -0.015 4.541 4.556 -0.000 0.000 0.297 204 H C 1.952 177.162 175.328 -0.197 0.000 1.097 204 H CA 1.398 57.376 56.048 -0.116 0.000 1.285 204 H CB -0.555 29.170 29.762 -0.061 0.000 1.368 204 H HN 0.225 nan 8.280 nan 0.000 0.495 205 L N -0.484 120.608 121.223 -0.220 0.000 2.240 205 L HA 0.036 4.376 4.340 -0.000 0.000 0.211 205 L C 2.615 179.307 176.870 -0.297 0.000 1.106 205 L CA 1.022 55.662 54.840 -0.333 0.000 0.793 205 L CB -0.487 41.438 42.059 -0.225 0.000 0.927 205 L HN 0.414 nan 8.230 nan 0.000 0.446 206 A N -0.240 122.402 122.820 -0.296 0.000 1.858 206 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 206 A C 2.388 179.598 177.584 -0.623 0.000 1.190 206 A CA 1.543 53.371 52.037 -0.349 0.000 0.617 206 A CB -0.436 18.110 19.000 -0.756 0.000 0.827 206 A HN 0.310 nan 8.150 nan 0.000 0.443 207 R N -0.553 119.432 120.500 -0.857 0.000 2.080 207 R HA -0.145 4.194 4.340 -0.000 0.000 0.236 207 R C 2.502 178.431 176.300 -0.619 0.000 1.137 207 R CA 1.385 56.809 56.100 -1.125 0.000 0.943 207 R CB -0.575 29.367 30.300 -0.596 0.000 0.846 207 R HN 0.515 nan 8.270 nan 0.000 0.431 208 A N 0.609 123.167 122.820 -0.436 0.000 1.948 208 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 208 A C 2.347 179.976 177.584 0.076 0.000 1.177 208 A CA 1.703 53.589 52.037 -0.252 0.000 0.636 208 A CB -0.570 18.137 19.000 -0.488 0.000 0.815 208 A HN 0.158 nan 8.150 nan 0.000 0.449 209 V N -0.447 119.505 119.914 0.064 0.000 2.427 209 V HA -0.202 3.917 4.120 -0.000 0.000 0.248 209 V C 2.997 179.095 176.094 0.006 0.000 1.051 209 V CA 1.797 64.219 62.300 0.203 0.000 1.048 209 V CB -1.205 30.704 31.823 0.144 0.000 0.666 209 V HN 0.635 nan 8.190 nan 0.000 0.456 210 A N 0.728 123.460 122.820 -0.148 0.000 1.855 210 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 210 A C 2.435 179.967 177.584 -0.087 0.000 1.191 210 A CA 1.907 53.868 52.037 -0.126 0.000 0.613 210 A CB -1.306 17.535 19.000 -0.265 0.000 0.829 210 A HN 0.503 nan 8.150 nan 0.000 0.442 211 G N -0.596 108.132 108.800 -0.121 0.000 2.422 211 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.218 211 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.218 211 G C 1.435 176.308 174.900 -0.045 0.000 1.140 211 G CA 1.335 46.393 45.100 -0.070 0.000 0.775 211 G HN 0.623 nan 8.290 nan 0.000 0.545 212 E N 0.910 121.089 120.200 -0.035 0.000 2.047 212 E HA 0.061 4.410 4.350 -0.000 0.000 0.191 212 E C 2.421 178.955 176.600 -0.109 0.000 0.987 212 E CA 1.355 57.706 56.400 -0.082 0.000 0.799 212 E CB -0.408 29.187 29.700 -0.176 0.000 0.752 212 E HN 0.268 nan 8.360 nan 0.000 0.449 213 A N 0.044 122.809 122.820 -0.091 0.000 2.238 213 A HA 0.186 4.506 4.320 -0.000 0.000 0.208 213 A C 0.266 177.814 177.584 -0.059 0.000 1.177 213 A CA 0.378 52.366 52.037 -0.082 0.000 0.804 213 A CB -0.361 18.601 19.000 -0.065 0.000 0.823 213 A HN 0.255 nan 8.150 nan 0.000 0.482 214 R N -1.742 118.730 120.500 -0.047 0.000 3.059 214 R HA -0.127 4.213 4.340 -0.000 0.000 0.251 214 R C -0.912 175.379 176.300 -0.015 0.000 0.886 214 R CA 0.845 56.927 56.100 -0.030 0.000 0.634 214 R CB -2.117 28.162 30.300 -0.035 0.000 1.282 214 R HN 0.260 nan 8.270 nan 0.000 0.487 215 V N 1.426 121.344 119.914 0.007 0.000 2.876 215 V HA 0.563 4.683 4.120 -0.000 0.000 0.312 215 V C -2.092 174.062 176.094 0.099 0.000 1.085 215 V CA -2.447 59.878 62.300 0.042 0.000 0.945 215 V CB 2.663 34.511 31.823 0.042 0.000 1.017 215 V HN 0.116 nan 8.190 nan 0.000 0.428 216 P HA 0.124 nan 4.420 nan 0.000 0.268 216 P C -1.226 176.250 177.300 0.293 0.000 1.205 216 P CA 0.111 63.339 63.100 0.213 0.000 0.771 216 P CB 0.151 32.032 31.700 0.300 0.000 0.858 217 F N 4.557 124.557 119.950 0.083 0.000 2.361 217 F HA 0.402 4.929 4.527 -0.000 0.000 0.364 217 F C -0.484 175.363 175.800 0.079 0.000 1.117 217 F CA -1.286 56.755 58.000 0.068 0.000 1.071 217 F CB 0.292 39.313 39.000 0.035 0.000 1.188 217 F HN 0.114 nan 8.300 nan 0.000 0.464 218 I N 5.396 125.833 120.570 -0.222 0.000 2.321 218 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 218 I C 0.129 175.991 176.117 -0.426 0.000 0.998 218 I CA -0.283 60.859 61.300 -0.262 0.000 1.227 218 I CB 1.455 39.386 38.000 -0.115 0.000 1.368 218 I HN 0.555 nan 8.210 nan 0.000 0.466 219 T N 3.525 117.875 114.554 -0.339 0.000 2.876 219 T HA 0.864 5.214 4.350 -0.000 0.000 0.289 219 T C -0.867 173.794 174.700 -0.065 0.000 1.014 219 T CA -0.622 61.377 62.100 -0.168 0.000 0.986 219 T CB 2.198 70.989 68.868 -0.127 0.000 1.021 219 T HN 0.813 nan 8.240 nan 0.000 0.458 220 A N 2.484 125.290 122.820 -0.023 0.000 2.500 220 A HA 0.633 4.953 4.320 -0.000 0.000 0.291 220 A C -0.231 177.367 177.584 0.023 0.000 1.048 220 A CA -0.740 51.301 52.037 0.007 0.000 0.791 220 A CB 1.470 20.521 19.000 0.086 0.000 1.309 220 A HN 0.805 nan 8.150 nan 0.000 0.397 221 S N 1.269 116.969 115.700 -0.000 0.000 2.505 221 S HA 0.402 4.872 4.470 -0.000 0.000 0.276 221 S C 1.756 176.406 174.600 0.084 0.000 1.274 221 S CA 0.489 58.687 58.200 -0.003 0.000 1.053 221 S CB 1.086 64.278 63.200 -0.013 0.000 0.919 221 S HN 1.440 nan 8.310 nan 0.000 0.490 222 G N 3.328 112.187 108.800 0.098 0.000 2.606 222 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 222 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 222 G C 1.651 176.688 174.900 0.227 0.000 1.152 222 G CA 1.476 46.699 45.100 0.205 0.000 0.765 222 G HN 0.678 nan 8.290 nan 0.000 0.595 223 S N 0.596 116.339 115.700 0.073 0.000 2.399 223 S HA -0.194 4.276 4.470 -0.000 0.000 0.235 223 S C 1.890 176.487 174.600 -0.006 0.000 1.063 223 S CA 1.651 59.866 58.200 0.025 0.000 1.070 223 S CB -0.382 62.813 63.200 -0.009 0.000 0.904 223 S HN 0.533 nan 8.310 nan 0.000 0.456 224 D N -0.418 119.927 120.400 -0.092 0.000 2.350 224 D HA -0.047 4.593 4.640 -0.000 0.000 0.216 224 D C 1.082 177.179 176.300 -0.339 0.000 0.968 224 D CA 0.824 54.664 54.000 -0.266 0.000 0.894 224 D CB -0.128 40.410 40.800 -0.436 0.000 0.909 224 D HN 0.473 nan 8.370 nan 0.000 0.520 225 F N -0.114 119.815 119.950 -0.036 0.000 2.698 225 F HA 0.001 4.528 4.527 -0.000 0.000 0.295 225 F C 2.184 177.971 175.800 -0.022 0.000 1.124 225 F CA 0.091 58.074 58.000 -0.028 0.000 1.426 225 F CB 0.390 39.371 39.000 -0.033 0.000 1.120 225 F HN -0.188 nan 8.300 nan 0.000 0.583 226 V N -1.433 118.556 119.914 0.124 0.000 3.379 226 V HA -0.020 4.100 4.120 -0.000 0.000 0.249 226 V C 1.786 177.892 176.094 0.020 0.000 1.184 226 V CA 0.548 62.883 62.300 0.058 0.000 1.106 226 V CB -0.082 31.762 31.823 0.035 0.000 0.826 226 V HN 0.071 nan 8.190 nan 0.000 0.465 227 E N 0.403 120.608 120.200 0.007 0.000 2.233 227 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 227 E C 0.927 177.536 176.600 0.014 0.000 1.004 227 E CA 1.247 57.645 56.400 -0.003 0.000 0.819 227 E CB -0.150 29.536 29.700 -0.023 0.000 0.738 227 E HN 0.541 nan 8.360 nan 0.000 0.478 228 M N -0.821 118.794 119.600 0.026 0.000 2.245 228 M HA 0.198 4.678 4.480 -0.000 0.000 0.292 228 M C 0.370 176.734 176.300 0.106 0.000 1.176 228 M CA -0.675 54.667 55.300 0.070 0.000 1.035 228 M CB 0.388 33.023 32.600 0.059 0.000 1.440 228 M HN -0.118 nan 8.290 nan 0.000 0.494 229 F N 0.140 120.089 119.950 -0.001 0.000 2.378 229 F HA 0.172 4.699 4.527 -0.000 0.000 0.290 229 F C 0.066 175.871 175.800 0.009 0.000 1.282 229 F CA -0.266 57.735 58.000 0.002 0.000 1.278 229 F CB 0.554 39.553 39.000 -0.000 0.000 1.364 229 F HN 0.127 nan 8.300 nan 0.000 0.514 230 V N 2.472 122.265 119.914 -0.203 0.000 2.370 230 V HA 0.464 4.584 4.120 -0.000 0.000 0.257 230 V C 0.607 176.800 176.094 0.164 0.000 1.064 230 V CA 0.846 63.109 62.300 -0.061 0.000 0.975 230 V CB -0.431 31.273 31.823 -0.198 0.000 1.067 230 V HN 1.043 nan 8.190 nan 0.000 0.485 231 G N 3.528 112.397 108.800 0.114 0.000 3.532 231 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.196 231 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.196 231 G C 0.595 175.555 174.900 0.100 0.000 2.074 231 G CA 0.076 45.243 45.100 0.112 0.000 1.323 231 G HN 0.498 nan 8.290 nan 0.000 0.439 232 V N 3.006 122.989 119.914 0.116 0.000 2.982 232 V HA 0.094 4.214 4.120 -0.000 0.000 0.265 232 V C 2.907 179.063 176.094 0.103 0.000 1.122 232 V CA 2.651 65.007 62.300 0.093 0.000 1.143 232 V CB -1.255 30.617 31.823 0.081 0.000 0.726 232 V HN 0.821 nan 8.190 nan 0.000 0.507 233 G N 0.295 109.161 108.800 0.110 0.000 2.421 233 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 233 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 233 G C 1.758 176.750 174.900 0.152 0.000 1.171 233 G CA 1.056 46.239 45.100 0.139 0.000 0.775 233 G HN 0.615 nan 8.290 nan 0.000 0.543 234 A N 1.218 124.098 122.820 0.100 0.000 1.877 234 A HA 0.257 4.577 4.320 -0.000 0.000 0.216 234 A C 2.854 180.496 177.584 0.098 0.000 1.186 234 A CA 2.397 54.483 52.037 0.082 0.000 0.620 234 A CB -0.945 18.090 19.000 0.058 0.000 0.822 234 A HN 0.850 nan 8.150 nan 0.000 0.443 235 A N -0.495 122.381 122.820 0.094 0.000 1.883 235 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 235 A C 2.168 179.818 177.584 0.111 0.000 1.186 235 A CA 1.742 53.830 52.037 0.086 0.000 0.624 235 A CB -0.505 18.534 19.000 0.066 0.000 0.822 235 A HN 0.359 nan 8.150 nan 0.000 0.444 236 R N -0.367 120.222 120.500 0.149 0.000 2.159 236 R HA -0.083 4.257 4.340 -0.000 0.000 0.237 236 R C 2.052 178.556 176.300 0.340 0.000 1.131 236 R CA 1.377 57.594 56.100 0.196 0.000 0.982 236 R CB -1.260 29.128 30.300 0.146 0.000 0.868 236 R HN 0.484 nan 8.270 nan 0.000 0.453 237 V N 0.523 120.605 119.914 0.280 0.000 2.283 237 V HA -0.137 3.983 4.120 -0.000 0.000 0.243 237 V C 2.620 178.791 176.094 0.129 0.000 1.039 237 V CA 1.567 63.930 62.300 0.106 0.000 1.016 237 V CB -0.555 31.256 31.823 -0.020 0.000 0.650 237 V HN 0.256 nan 8.190 nan 0.000 0.449 238 R N 0.829 121.413 120.500 0.140 0.000 2.096 238 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 238 R C 2.150 178.536 176.300 0.143 0.000 1.139 238 R CA 2.274 58.462 56.100 0.148 0.000 0.952 238 R CB -0.589 29.767 30.300 0.094 0.000 0.854 238 R HN 0.735 nan 8.270 nan 0.000 0.436 239 D N 0.523 120.984 120.400 0.102 0.000 2.317 239 D HA -0.151 4.489 4.640 -0.000 0.000 0.211 239 D C 1.959 178.288 176.300 0.049 0.000 0.966 239 D CA 0.593 54.638 54.000 0.075 0.000 0.876 239 D CB -0.130 40.703 40.800 0.054 0.000 0.927 239 D HN 0.411 nan 8.370 nan 0.000 0.519 240 L N -1.338 119.901 121.223 0.025 0.000 2.156 240 L HA 0.099 4.439 4.340 -0.000 0.000 0.208 240 L C 1.804 178.596 176.870 -0.129 0.000 1.095 240 L CA 1.220 56.005 54.840 -0.090 0.000 0.770 240 L CB -0.492 41.478 42.059 -0.148 0.000 0.914 240 L HN -0.132 nan 8.230 nan 0.000 0.439 241 F N -0.716 119.290 119.950 0.094 0.000 2.765 241 F HA 0.145 4.672 4.527 -0.000 0.000 0.302 241 F C 2.075 177.940 175.800 0.108 0.000 1.111 241 F CA -0.028 58.047 58.000 0.126 0.000 1.359 241 F CB 0.320 39.400 39.000 0.133 0.000 1.097 241 F HN 0.118 nan 8.300 nan 0.000 0.577 242 E N -0.712 119.620 120.200 0.221 0.000 2.474 242 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 242 E C 1.531 178.191 176.600 0.100 0.000 1.039 242 E CA 0.236 56.725 56.400 0.149 0.000 0.881 242 E CB 0.382 30.146 29.700 0.107 0.000 0.970 242 E HN 0.197 nan 8.360 nan 0.000 0.486 243 T N -0.184 114.410 114.554 0.066 0.000 2.983 243 T HA 0.090 4.440 4.350 -0.000 0.000 0.250 243 T C 1.742 176.394 174.700 -0.081 0.000 1.037 243 T CA 0.823 62.910 62.100 -0.022 0.000 1.142 243 T CB 0.246 69.075 68.868 -0.065 0.000 0.876 243 T HN 0.162 nan 8.240 nan 0.000 0.455 244 A N 1.118 123.950 122.820 0.021 0.000 2.016 244 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 244 A C 2.156 179.828 177.584 0.146 0.000 1.162 244 A CA 1.023 53.093 52.037 0.054 0.000 0.662 244 A CB -0.262 18.854 19.000 0.193 0.000 0.812 244 A HN 0.330 nan 8.150 nan 0.000 0.450 245 K N -0.307 120.217 120.400 0.206 0.000 2.097 245 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 245 K C 2.162 178.861 176.600 0.164 0.000 1.049 245 K CA 1.072 57.477 56.287 0.196 0.000 0.933 245 K CB -0.142 32.479 32.500 0.203 0.000 0.717 245 K HN 0.361 nan 8.250 nan 0.000 0.442 246 R N -0.137 120.466 120.500 0.171 0.000 2.152 246 R HA -0.064 4.275 4.340 -0.000 0.000 0.232 246 R C 0.265 176.765 176.300 0.333 0.000 1.117 246 R CA 0.838 57.072 56.100 0.224 0.000 0.981 246 R CB -0.091 30.353 30.300 0.240 0.000 0.870 246 R HN 0.402 nan 8.270 nan 0.000 0.451 247 H N -0.246 118.862 119.070 0.064 0.000 2.741 247 H HA 0.366 4.922 4.556 -0.000 0.000 0.261 247 H C -0.707 174.648 175.328 0.045 0.000 1.365 247 H CA -0.751 55.328 56.048 0.051 0.000 1.266 247 H CB 0.936 30.732 29.762 0.056 0.000 1.485 247 H HN 0.092 nan 8.280 nan 0.000 0.529 248 A N 5.053 127.950 122.820 0.128 0.000 2.256 248 A HA 0.425 4.745 4.320 -0.000 0.000 0.317 248 A C -2.066 175.533 177.584 0.025 0.000 1.318 248 A CA -1.229 50.850 52.037 0.070 0.000 0.894 248 A CB 0.399 19.435 19.000 0.059 0.000 1.165 248 A HN 0.445 nan 8.150 nan 0.000 0.525 249 P HA 0.820 nan 4.420 nan 0.000 0.287 249 P C -0.560 176.784 177.300 0.073 0.000 1.296 249 P CA -0.564 62.545 63.100 0.014 0.000 0.811 249 P CB 1.119 32.778 31.700 -0.069 0.000 1.211 250 C N -2.114 117.240 119.300 0.091 0.000 3.253 250 C HA 0.643 5.103 4.460 -0.000 0.000 0.342 250 C C -1.492 173.585 174.990 0.144 0.000 1.306 250 C CA -0.894 58.206 59.018 0.138 0.000 1.207 250 C CB -0.021 27.829 27.740 0.184 0.000 1.479 250 C HN 0.501 nan 8.230 nan 0.000 0.469 251 I N 2.860 123.558 120.570 0.213 0.000 2.330 251 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 251 I C 0.042 176.306 176.117 0.245 0.000 1.001 251 I CA -0.494 60.963 61.300 0.262 0.000 1.193 251 I CB 1.722 39.939 38.000 0.361 0.000 1.345 251 I HN 0.642 nan 8.210 nan 0.000 0.461 252 V N 6.238 126.274 119.914 0.203 0.000 2.607 252 V HA 0.310 4.430 4.120 -0.000 0.000 0.289 252 V C -0.515 175.741 176.094 0.270 0.000 1.053 252 V CA -0.561 61.835 62.300 0.160 0.000 0.996 252 V CB 1.286 33.226 31.823 0.196 0.000 0.995 252 V HN 0.547 nan 8.190 nan 0.000 0.476 253 F N 5.570 125.509 119.950 -0.019 0.000 2.902 253 F HA 0.647 5.174 4.527 -0.000 0.000 0.368 253 F C -0.646 175.169 175.800 0.026 0.000 1.202 253 F CA -0.852 57.175 58.000 0.045 0.000 1.109 253 F CB 0.743 39.754 39.000 0.017 0.000 1.418 253 F HN 0.360 nan 8.300 nan 0.000 0.527 254 I N 4.440 124.824 120.570 -0.310 0.000 2.395 254 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 254 I C -0.114 175.617 176.117 -0.643 0.000 1.023 254 I CA -0.059 61.042 61.300 -0.332 0.000 1.350 254 I CB 0.681 38.599 38.000 -0.138 0.000 1.409 254 I HN 0.441 nan 8.210 nan 0.000 0.507 255 D N 4.857 124.958 120.400 -0.499 0.000 2.198 255 D HA 0.252 4.892 4.640 -0.000 0.000 0.247 255 D C -0.265 175.930 176.300 -0.174 0.000 1.010 255 D CA -0.425 53.337 54.000 -0.398 0.000 0.880 255 D CB 0.917 41.588 40.800 -0.214 0.000 1.209 255 D HN 0.601 nan 8.370 nan 0.000 0.451 256 E N 1.440 121.563 120.200 -0.129 0.000 2.149 256 E HA -0.281 4.069 4.350 -0.000 0.000 0.191 256 E C 0.850 177.394 176.600 -0.093 0.000 1.384 256 E CA 0.358 56.706 56.400 -0.086 0.000 0.698 256 E CB -2.008 27.663 29.700 -0.047 0.000 1.086 256 E HN 0.588 nan 8.360 nan 0.000 0.338 257 I N 0.295 120.779 120.570 -0.144 0.000 2.800 257 I HA -0.254 3.916 4.170 -0.000 0.000 0.266 257 I C 1.438 177.475 176.117 -0.133 0.000 1.249 257 I CA 1.172 62.376 61.300 -0.161 0.000 1.458 257 I CB -0.053 37.790 38.000 -0.262 0.000 1.093 257 I HN 0.315 nan 8.210 nan 0.000 0.466 258 D N 1.500 121.834 120.400 -0.110 0.000 2.276 258 D HA -0.248 4.392 4.640 -0.000 0.000 0.200 258 D C 1.741 178.002 176.300 -0.065 0.000 1.004 258 D CA 1.616 55.567 54.000 -0.082 0.000 0.898 258 D CB 0.086 40.848 40.800 -0.064 0.000 0.906 258 D HN 0.569 nan 8.370 nan 0.000 0.457 259 A N -0.417 122.371 122.820 -0.053 0.000 2.345 259 A HA 0.210 4.530 4.320 -0.000 0.000 0.225 259 A C 1.684 179.252 177.584 -0.026 0.000 1.243 259 A CA 0.074 52.093 52.037 -0.029 0.000 0.875 259 A CB 0.410 19.409 19.000 -0.002 0.000 0.929 259 A HN 0.169 nan 8.150 nan 0.000 0.502 260 V N -4.201 115.680 119.914 -0.056 0.000 3.497 260 V HA 0.373 4.493 4.120 -0.000 0.000 0.272 260 V C 1.012 177.066 176.094 -0.067 0.000 1.474 260 V CA 0.333 62.596 62.300 -0.061 0.000 1.025 260 V CB -0.128 31.640 31.823 -0.092 0.000 0.820 260 V HN 0.343 nan 8.190 nan 0.000 0.437 261 G N 1.298 110.051 108.800 -0.079 0.000 2.547 261 G HA2 0.693 4.653 3.960 -0.000 0.000 0.327 261 G HA3 0.693 4.653 3.960 -0.000 0.000 0.327 261 G C -0.470 174.386 174.900 -0.073 0.000 1.118 261 G CA -0.328 44.729 45.100 -0.072 0.000 1.022 261 G HN 0.222 nan 8.290 nan 0.000 0.464 262 R N 1.409 121.860 120.500 -0.082 0.000 4.106 262 R HA 0.221 4.561 4.340 -0.000 0.000 0.252 262 R C -2.236 173.952 176.300 -0.186 0.000 0.977 262 R CA -0.635 55.383 56.100 -0.137 0.000 1.118 262 R CB 1.505 31.731 30.300 -0.124 0.000 1.237 262 R HN 0.583 nan 8.270 nan 0.000 0.587 263 K N 3.419 123.610 120.400 -0.348 0.000 2.570 263 K HA 0.379 4.699 4.320 -0.000 0.000 0.256 263 K C -0.854 175.388 176.600 -0.597 0.000 0.939 263 K CA -0.405 55.665 56.287 -0.361 0.000 0.833 263 K CB 1.695 34.056 32.500 -0.231 0.000 1.318 263 K HN 0.771 nan 8.250 nan 0.000 0.433 264 R N 0.935 121.235 120.500 -0.334 0.000 3.969 264 R HA 0.195 4.535 4.340 -0.000 0.000 0.120 264 R C 0.282 176.517 176.300 -0.108 0.000 0.681 264 R CA 0.970 56.914 56.100 -0.261 0.000 1.259 264 R CB 1.042 31.214 30.300 -0.212 0.000 1.619 264 R HN 0.822 nan 8.270 nan 0.000 0.452 265 G N 1.104 109.850 108.800 -0.091 0.000 2.665 265 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.220 265 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.220 265 G C 0.417 175.287 174.900 -0.051 0.000 1.002 265 G CA 0.470 45.537 45.100 -0.055 0.000 0.893 265 G HN 0.396 nan 8.290 nan 0.000 0.586 266 S N -0.273 115.390 115.700 -0.060 0.000 2.324 266 S HA 0.364 4.834 4.470 -0.000 0.000 0.210 266 S C 1.732 176.305 174.600 -0.045 0.000 1.027 266 S CA 1.241 59.411 58.200 -0.050 0.000 0.945 266 S CB -0.260 62.907 63.200 -0.055 0.000 0.908 266 S HN 1.386 nan 8.310 nan 0.000 0.496 267 G N 2.489 111.259 108.800 -0.049 0.000 3.209 267 G HA2 0.506 4.466 3.960 -0.000 0.000 0.274 267 G HA3 0.506 4.466 3.960 -0.000 0.000 0.274 267 G C -0.440 174.434 174.900 -0.043 0.000 0.850 267 G CA -0.529 44.544 45.100 -0.044 0.000 1.907 267 G HN 0.388 nan 8.290 nan 0.000 0.591 268 V N 2.055 121.947 119.914 -0.038 0.000 2.403 268 V HA 0.519 4.639 4.120 -0.000 0.000 0.265 268 V C 1.288 177.361 176.094 -0.034 0.000 1.034 268 V CA 1.416 63.695 62.300 -0.035 0.000 1.036 268 V CB 0.129 31.935 31.823 -0.029 0.000 1.032 268 V HN 0.860 nan 8.190 nan 0.000 0.478 269 G N 4.515 113.292 108.800 -0.038 0.000 4.142 269 G HA2 0.093 4.053 3.960 -0.000 0.000 0.131 269 G HA3 0.093 4.053 3.960 -0.000 0.000 0.131 269 G C 0.634 175.504 174.900 -0.051 0.000 2.153 269 G CA 0.137 45.214 45.100 -0.039 0.000 0.993 269 G HN 1.075 nan 8.290 nan 0.000 0.294 270 G N 0.387 109.153 108.800 -0.056 0.000 4.716 270 G HA2 0.563 4.523 3.960 -0.000 0.000 0.282 270 G HA3 0.563 4.523 3.960 -0.000 0.000 0.282 270 G C 0.576 175.433 174.900 -0.072 0.000 1.173 270 G CA 0.985 46.041 45.100 -0.073 0.000 0.913 270 G HN 1.515 nan 8.290 nan 0.000 0.566 271 G N -0.072 108.689 108.800 -0.066 0.000 3.738 271 G HA2 0.070 4.030 3.960 -0.000 0.000 0.241 271 G HA3 0.070 4.030 3.960 -0.000 0.000 0.241 271 G C 0.753 175.615 174.900 -0.065 0.000 1.068 271 G CA 0.289 45.351 45.100 -0.064 0.000 0.899 271 G HN 0.254 nan 8.290 nan 0.000 0.519 272 N N 1.251 119.913 118.700 -0.063 0.000 2.349 272 N HA -0.020 4.720 4.740 -0.000 0.000 0.202 272 N C 1.355 176.835 175.510 -0.051 0.000 1.041 272 N CA 1.073 54.090 53.050 -0.055 0.000 0.970 272 N CB 0.120 38.579 38.487 -0.047 0.000 1.173 272 N HN -0.030 nan 8.380 nan 0.000 0.493 273 D N 0.318 120.685 120.400 -0.055 0.000 2.312 273 D HA -0.071 4.569 4.640 -0.000 0.000 0.211 273 D C 1.023 177.291 176.300 -0.053 0.000 0.964 273 D CA 0.578 54.550 54.000 -0.048 0.000 0.877 273 D CB 0.085 40.855 40.800 -0.050 0.000 0.924 273 D HN 0.531 nan 8.370 nan 0.000 0.515 274 E N -0.068 120.090 120.200 -0.071 0.000 2.299 274 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 274 E C 1.925 178.504 176.600 -0.036 0.000 0.998 274 E CA 0.238 56.599 56.400 -0.064 0.000 0.851 274 E CB 0.438 30.083 29.700 -0.091 0.000 0.795 274 E HN -0.008 nan 8.360 nan 0.000 0.492 275 R N 0.087 120.563 120.500 -0.039 0.000 2.175 275 R HA 0.011 4.351 4.340 -0.000 0.000 0.202 275 R C 1.966 178.252 176.300 -0.023 0.000 1.018 275 R CA 0.437 56.517 56.100 -0.034 0.000 1.029 275 R CB -0.009 30.262 30.300 -0.049 0.000 0.959 275 R HN 0.237 nan 8.270 nan 0.000 0.480 276 E N 1.062 121.249 120.200 -0.022 0.000 2.058 276 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 276 E C 1.633 178.234 176.600 0.002 0.000 0.997 276 E CA 1.249 57.645 56.400 -0.006 0.000 0.801 276 E CB 0.239 29.935 29.700 -0.007 0.000 0.746 276 E HN 0.254 nan 8.360 nan 0.000 0.450 277 Q N -0.131 119.669 119.800 -0.001 0.000 1.896 277 Q HA -0.083 4.257 4.340 -0.000 0.000 0.205 277 Q C 2.403 178.410 176.000 0.010 0.000 0.978 277 Q CA 1.807 57.615 55.803 0.008 0.000 0.850 277 Q CB -0.519 28.226 28.738 0.011 0.000 0.908 277 Q HN 0.318 nan 8.270 nan 0.000 0.431 278 T N 2.636 117.198 114.554 0.014 0.000 2.635 278 T HA -0.253 4.097 4.350 -0.000 0.000 0.265 278 T C 1.871 176.564 174.700 -0.013 0.000 1.058 278 T CA 2.019 64.130 62.100 0.018 0.000 1.162 278 T CB -0.611 68.279 68.868 0.037 0.000 0.859 278 T HN 0.221 nan 8.240 nan 0.000 0.449 279 L N 1.749 122.961 121.223 -0.018 0.000 2.027 279 L HA 0.024 4.364 4.340 -0.000 0.000 0.206 279 L C 1.131 177.999 176.870 -0.004 0.000 1.074 279 L CA 1.722 56.547 54.840 -0.025 0.000 0.745 279 L CB -0.723 41.324 42.059 -0.020 0.000 0.898 279 L HN 0.077 nan 8.230 nan 0.000 0.433 280 N N 0.116 118.821 118.700 0.007 0.000 2.581 280 N HA -0.038 4.702 4.740 -0.000 0.000 0.230 280 N C 0.939 176.454 175.510 0.008 0.000 1.310 280 N CA 0.280 53.338 53.050 0.014 0.000 0.886 280 N CB 0.195 38.694 38.487 0.021 0.000 1.205 280 N HN 0.554 nan 8.380 nan 0.000 0.488 281 Q N -0.136 119.668 119.800 0.006 0.000 2.644 281 Q HA 0.229 4.569 4.340 -0.000 0.000 0.220 281 Q C 1.560 177.569 176.000 0.015 0.000 0.866 281 Q CA 0.063 55.873 55.803 0.011 0.000 0.915 281 Q CB -0.347 28.406 28.738 0.024 0.000 1.191 281 Q HN 0.247 nan 8.270 nan 0.000 0.641 282 L N 0.437 121.679 121.223 0.031 0.000 2.042 282 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 282 L C 1.747 178.635 176.870 0.029 0.000 1.076 282 L CA 1.630 56.526 54.840 0.092 0.000 0.749 282 L CB -0.635 41.486 42.059 0.102 0.000 0.893 282 L HN 0.366 nan 8.230 nan 0.000 0.432 283 L N -1.126 120.112 121.223 0.025 0.000 2.187 283 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 283 L C 2.141 178.989 176.870 -0.035 0.000 1.100 283 L CA 1.444 56.295 54.840 0.019 0.000 0.765 283 L CB -0.362 41.718 42.059 0.035 0.000 0.904 283 L HN 0.223 nan 8.230 nan 0.000 0.437 284 V N -2.150 117.728 119.914 -0.061 0.000 2.795 284 V HA -0.011 4.109 4.120 -0.000 0.000 0.243 284 V C 2.244 178.214 176.094 -0.208 0.000 1.069 284 V CA 0.553 62.794 62.300 -0.099 0.000 1.089 284 V CB -0.293 31.494 31.823 -0.060 0.000 0.756 284 V HN 0.284 nan 8.190 nan 0.000 0.471 285 E N 0.074 120.126 120.200 -0.247 0.000 2.150 285 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 285 E C 2.152 178.136 176.600 -1.027 0.000 0.985 285 E CA 1.127 57.240 56.400 -0.479 0.000 0.814 285 E CB -0.159 29.371 29.700 -0.283 0.000 0.752 285 E HN 0.484 nan 8.360 nan 0.000 0.466 286 M N 0.558 119.696 119.600 -0.770 0.000 2.175 286 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 286 M C 1.098 177.074 176.300 -0.540 0.000 1.063 286 M CA 1.045 55.889 55.300 -0.759 0.000 1.119 286 M CB -0.090 32.371 32.600 -0.230 0.000 1.377 286 M HN -0.138 nan 8.290 nan 0.000 0.415 287 D N -0.154 120.042 120.400 -0.341 0.000 2.378 287 D HA 0.004 4.644 4.640 -0.000 0.000 0.227 287 D C 1.651 177.801 176.300 -0.251 0.000 1.012 287 D CA 0.479 54.357 54.000 -0.204 0.000 0.905 287 D CB -0.125 40.611 40.800 -0.107 0.000 0.895 287 D HN 0.414 nan 8.370 nan 0.000 0.532 288 G N -0.541 107.983 108.800 -0.461 0.000 2.603 288 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.214 288 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.214 288 G C 0.506 175.237 174.900 -0.282 0.000 1.140 288 G CA -0.399 44.469 45.100 -0.385 0.000 0.800 288 G HN 0.192 nan 8.290 nan 0.000 0.533 289 F N 2.364 122.232 119.950 -0.136 0.000 2.556 289 F HA 0.217 4.744 4.527 -0.000 0.000 0.344 289 F C 1.203 176.956 175.800 -0.080 0.000 1.255 289 F CA -0.780 57.152 58.000 -0.113 0.000 1.091 289 F CB 0.451 39.364 39.000 -0.145 0.000 1.325 289 F HN 0.071 nan 8.300 nan 0.000 0.627 290 E N 3.003 123.259 120.200 0.095 0.000 3.523 290 E HA 0.140 4.490 4.350 -0.000 0.000 0.526 290 E C 1.270 177.882 176.600 0.020 0.000 0.298 290 E CA -0.306 56.116 56.400 0.036 0.000 3.069 290 E CB 0.255 29.959 29.700 0.007 0.000 2.322 290 E HN 0.445 nan 8.360 nan 0.000 0.415 291 K N 0.622 121.005 120.400 -0.028 0.000 2.017 291 K HA -0.004 4.316 4.320 -0.000 0.000 0.207 291 K C 1.192 177.573 176.600 -0.365 0.000 1.035 291 K CA 0.510 56.733 56.287 -0.105 0.000 0.947 291 K CB -0.099 32.370 32.500 -0.051 0.000 0.749 291 K HN 0.223 nan 8.250 nan 0.000 0.443 292 D N 2.034 122.275 120.400 -0.265 0.000 2.856 292 D HA 0.029 4.669 4.640 -0.000 0.000 0.242 292 D C -0.870 175.342 176.300 -0.146 0.000 1.226 292 D CA 0.493 54.316 54.000 -0.295 0.000 0.855 292 D CB 0.022 40.758 40.800 -0.106 0.000 1.065 292 D HN 0.103 nan 8.370 nan 0.000 0.462 293 T N 0.241 114.724 114.554 -0.119 0.000 3.089 293 T HA 0.412 4.762 4.350 -0.000 0.000 0.340 293 T C -0.089 174.644 174.700 0.055 0.000 1.008 293 T CA -0.663 61.446 62.100 0.014 0.000 1.096 293 T CB 1.413 70.343 68.868 0.103 0.000 1.024 293 T HN 0.073 nan 8.240 nan 0.000 0.477 294 A N 3.825 126.705 122.820 0.101 0.000 2.396 294 A HA 0.796 5.116 4.320 -0.000 0.000 0.279 294 A C -0.186 177.461 177.584 0.104 0.000 1.165 294 A CA -0.173 51.992 52.037 0.213 0.000 0.824 294 A CB -0.187 18.765 19.000 -0.079 0.000 1.100 294 A HN 0.857 nan 8.150 nan 0.000 0.516 295 I N 1.911 122.545 120.570 0.107 0.000 2.908 295 I HA 0.439 4.609 4.170 -0.000 0.000 0.300 295 I C -1.396 174.635 176.117 -0.144 0.000 1.385 295 I CA -0.349 60.860 61.300 -0.152 0.000 1.004 295 I CB 2.577 40.183 38.000 -0.657 0.000 1.309 295 I HN 0.314 nan 8.210 nan 0.000 0.449 296 V N 6.551 126.421 119.914 -0.074 0.000 2.445 296 V HA 0.298 4.418 4.120 -0.000 0.000 0.283 296 V C -0.751 175.355 176.094 0.020 0.000 1.014 296 V CA -0.682 61.586 62.300 -0.053 0.000 0.852 296 V CB 1.553 33.399 31.823 0.039 0.000 1.021 296 V HN 0.385 nan 8.190 nan 0.000 0.435 297 V N 5.545 125.423 119.914 -0.060 0.000 2.338 297 V HA 0.346 4.466 4.120 -0.000 0.000 0.255 297 V C 0.378 176.585 176.094 0.188 0.000 1.082 297 V CA 0.033 62.388 62.300 0.091 0.000 0.951 297 V CB 0.487 32.369 31.823 0.099 0.000 1.102 297 V HN 0.802 nan 8.190 nan 0.000 0.489 298 M N 4.081 123.907 119.600 0.376 0.000 2.216 298 M HA 0.639 5.118 4.480 -0.000 0.000 0.356 298 M C 0.186 176.773 176.300 0.478 0.000 1.205 298 M CA 0.055 55.655 55.300 0.500 0.000 1.122 298 M CB 1.480 34.425 32.600 0.573 0.000 1.571 298 M HN 0.703 nan 8.290 nan 0.000 0.464 299 A N 2.753 125.817 122.820 0.408 0.000 2.355 299 A HA 0.897 5.216 4.320 -0.000 0.000 0.317 299 A C -0.942 176.654 177.584 0.019 0.000 1.094 299 A CA -0.677 51.382 52.037 0.038 0.000 0.764 299 A CB 1.165 19.996 19.000 -0.282 0.000 1.230 299 A HN 0.855 nan 8.150 nan 0.000 0.448 300 A N 1.337 124.083 122.820 -0.124 0.000 2.325 300 A HA 0.943 5.263 4.320 -0.000 0.000 0.333 300 A C -0.112 177.430 177.584 -0.069 0.000 1.155 300 A CA -0.494 51.536 52.037 -0.012 0.000 0.814 300 A CB 1.262 20.299 19.000 0.061 0.000 1.206 300 A HN 1.105 nan 8.150 nan 0.000 0.482 301 T N 0.855 115.393 114.554 -0.027 0.000 3.289 301 T HA 0.204 4.554 4.350 -0.000 0.000 0.370 301 T C 0.211 174.897 174.700 -0.023 0.000 1.546 301 T CA -0.295 61.777 62.100 -0.047 0.000 1.144 301 T CB 0.937 69.758 68.868 -0.078 0.000 1.379 301 T HN 0.851 nan 8.240 nan 0.000 0.478 302 N N 1.892 120.576 118.700 -0.026 0.000 2.356 302 N HA 0.057 4.796 4.740 -0.000 0.000 0.178 302 N C 0.450 175.945 175.510 -0.026 0.000 1.075 302 N CA 0.003 53.041 53.050 -0.020 0.000 0.889 302 N CB 0.513 38.990 38.487 -0.018 0.000 0.999 302 N HN 0.439 nan 8.380 nan 0.000 0.464 303 R N 1.169 121.649 120.500 -0.034 0.000 2.472 303 R HA 0.316 4.656 4.340 -0.000 0.000 0.294 303 R C -1.967 174.308 176.300 -0.042 0.000 1.243 303 R CA -1.547 54.531 56.100 -0.036 0.000 1.023 303 R CB 1.692 31.971 30.300 -0.035 0.000 1.157 303 R HN -0.045 nan 8.270 nan 0.000 0.530 304 P HA -0.088 nan 4.420 nan 0.000 0.219 304 P C 0.058 177.336 177.300 -0.038 0.000 1.150 304 P CA 1.061 64.136 63.100 -0.041 0.000 0.814 304 P CB 0.445 32.127 31.700 -0.029 0.000 0.787 305 D N 0.383 120.763 120.400 -0.032 0.000 2.264 305 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 305 D C 1.641 177.926 176.300 -0.025 0.000 0.966 305 D CA 0.643 54.628 54.000 -0.025 0.000 0.864 305 D CB -0.647 40.137 40.800 -0.027 0.000 0.933 305 D HN 0.349 nan 8.370 nan 0.000 0.499 306 I N -2.095 118.454 120.570 -0.036 0.000 3.749 306 I HA 0.100 4.270 4.170 -0.000 0.000 0.314 306 I C -0.324 175.763 176.117 -0.050 0.000 1.278 306 I CA -0.104 61.170 61.300 -0.043 0.000 1.158 306 I CB 0.019 37.991 38.000 -0.046 0.000 1.018 306 I HN -0.188 nan 8.210 nan 0.000 0.435 307 L N 1.693 122.890 121.223 -0.044 0.000 2.334 307 L HA 0.400 4.739 4.340 -0.000 0.000 0.275 307 L C 0.094 176.956 176.870 -0.012 0.000 1.036 307 L CA 0.051 54.861 54.840 -0.050 0.000 0.807 307 L CB 1.305 43.319 42.059 -0.075 0.000 1.231 307 L HN 0.185 nan 8.230 nan 0.000 0.438 308 D N 4.735 125.134 120.400 -0.001 0.000 2.472 308 D HA -0.008 4.632 4.640 -0.000 0.000 0.248 308 D C -1.626 174.726 176.300 0.086 0.000 1.174 308 D CA -0.852 53.198 54.000 0.084 0.000 0.883 308 D CB 1.500 42.347 40.800 0.079 0.000 1.149 308 D HN 0.257 nan 8.370 nan 0.000 0.488 309 P HA -0.074 nan 4.420 nan 0.000 0.234 309 P C 0.426 177.719 177.300 -0.013 0.000 1.162 309 P CA 0.579 63.702 63.100 0.037 0.000 0.759 309 P CB 0.232 31.940 31.700 0.014 0.000 0.813 310 A N -1.406 121.419 122.820 0.008 0.000 2.095 310 A HA 0.051 4.371 4.320 -0.000 0.000 0.212 310 A C 1.935 179.529 177.584 0.016 0.000 1.162 310 A CA 0.521 52.545 52.037 -0.022 0.000 0.753 310 A CB -1.046 17.956 19.000 0.003 0.000 0.840 310 A HN 0.135 nan 8.150 nan 0.000 0.468 311 L N -0.628 120.618 121.223 0.038 0.000 2.109 311 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 311 L C 1.880 178.828 176.870 0.131 0.000 1.086 311 L CA 0.928 55.821 54.840 0.088 0.000 0.760 311 L CB -0.224 41.821 42.059 -0.022 0.000 0.910 311 L HN 0.354 nan 8.230 nan 0.000 0.437 312 L N -1.438 119.821 121.223 0.061 0.000 2.599 312 L HA 0.047 4.386 4.340 -0.000 0.000 0.230 312 L C 1.311 178.201 176.870 0.033 0.000 1.141 312 L CA 0.177 55.056 54.840 0.064 0.000 0.877 312 L CB -0.512 41.565 42.059 0.030 0.000 1.009 312 L HN 0.054 nan 8.230 nan 0.000 0.447 313 R N 0.997 121.499 120.500 0.002 0.000 2.649 313 R HA 0.235 4.575 4.340 -0.000 0.000 0.270 313 R C -2.033 174.251 176.300 -0.026 0.000 1.105 313 R CA -1.732 54.336 56.100 -0.053 0.000 1.193 313 R CB 0.101 30.317 30.300 -0.141 0.000 1.120 313 R HN -0.150 nan 8.270 nan 0.000 0.561 314 P HA -0.138 nan 4.420 nan 0.000 0.264 314 P C 0.448 177.760 177.300 0.019 0.000 1.179 314 P CA 1.027 64.124 63.100 -0.005 0.000 0.763 314 P CB 0.492 32.196 31.700 0.005 0.000 0.806 315 G N 2.846 111.655 108.800 0.015 0.000 2.550 315 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.233 315 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.233 315 G C 0.765 175.659 174.900 -0.009 0.000 1.170 315 G CA 0.549 45.654 45.100 0.009 0.000 0.693 315 G HN 0.598 nan 8.290 nan 0.000 0.512 316 R N -0.566 119.942 120.500 0.013 0.000 2.615 316 R HA 0.569 4.908 4.340 -0.000 0.000 0.178 316 R C 0.271 176.572 176.300 0.002 0.000 0.958 316 R CA -0.403 55.710 56.100 0.021 0.000 1.275 316 R CB -0.381 29.994 30.300 0.124 0.000 1.207 316 R HN 0.092 nan 8.270 nan 0.000 0.535 317 F N 2.494 122.456 119.950 0.019 0.000 2.616 317 F HA -0.004 4.523 4.527 -0.000 0.000 0.331 317 F C 0.141 175.946 175.800 0.008 0.000 1.309 317 F CA 0.194 58.207 58.000 0.021 0.000 1.068 317 F CB -0.695 38.319 39.000 0.024 0.000 1.464 317 F HN 0.365 nan 8.300 nan 0.000 0.667 318 D N 0.721 121.177 120.400 0.094 0.000 3.071 318 D HA 0.280 4.920 4.640 -0.000 0.000 0.259 318 D C 0.124 176.457 176.300 0.054 0.000 1.331 318 D CA -0.487 53.551 54.000 0.062 0.000 0.861 318 D CB 0.241 41.054 40.800 0.022 0.000 1.059 318 D HN 0.267 nan 8.370 nan 0.000 0.486 319 R N 0.700 121.255 120.500 0.090 0.000 2.604 319 R HA 0.295 4.635 4.340 -0.000 0.000 0.281 319 R C -1.281 175.071 176.300 0.085 0.000 1.020 319 R CA -0.616 55.529 56.100 0.075 0.000 0.899 319 R CB 1.448 31.788 30.300 0.066 0.000 1.205 319 R HN 0.062 nan 8.270 nan 0.000 0.450 320 Q N 5.305 125.141 119.800 0.061 0.000 2.523 320 Q HA 0.382 4.721 4.340 -0.000 0.000 0.251 320 Q C -0.788 175.240 176.000 0.047 0.000 1.033 320 Q CA -0.310 55.524 55.803 0.051 0.000 0.746 320 Q CB 1.480 30.240 28.738 0.037 0.000 1.189 320 Q HN 0.494 nan 8.270 nan 0.000 0.508 321 I N 1.387 121.989 120.570 0.054 0.000 2.468 321 I HA 0.602 4.772 4.170 -0.000 0.000 0.285 321 I C -0.431 175.711 176.117 0.042 0.000 1.039 321 I CA -0.787 60.541 61.300 0.046 0.000 1.074 321 I CB 1.986 40.017 38.000 0.051 0.000 1.228 321 I HN 0.556 nan 8.210 nan 0.000 0.436 322 A N 6.785 129.622 122.820 0.029 0.000 2.281 322 A HA 0.953 5.273 4.320 -0.000 0.000 0.329 322 A C -0.609 176.986 177.584 0.018 0.000 1.122 322 A CA -0.459 51.591 52.037 0.022 0.000 0.850 322 A CB 0.786 19.793 19.000 0.011 0.000 1.207 322 A HN 0.622 nan 8.150 nan 0.000 0.495 323 I N 0.481 121.060 120.570 0.015 0.000 2.493 323 I HA 0.266 4.436 4.170 -0.000 0.000 0.279 323 I C -1.323 174.798 176.117 0.007 0.000 1.045 323 I CA -0.162 61.145 61.300 0.011 0.000 1.106 323 I CB 1.749 39.756 38.000 0.012 0.000 1.216 323 I HN 0.354 nan 8.210 nan 0.000 0.459 324 D N 5.004 125.407 120.400 0.004 0.000 2.801 324 D HA 0.308 4.948 4.640 -0.000 0.000 0.232 324 D C 1.422 177.725 176.300 0.005 0.000 1.128 324 D CA 0.158 54.159 54.000 0.003 0.000 1.003 324 D CB 0.921 41.722 40.800 0.001 0.000 1.110 324 D HN 0.666 nan 8.370 nan 0.000 0.477 325 A N 1.482 124.305 122.820 0.005 0.000 2.014 325 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 325 A C -0.440 177.151 177.584 0.011 0.000 1.163 325 A CA 0.403 52.444 52.037 0.005 0.000 0.652 325 A CB -0.770 18.232 19.000 0.004 0.000 0.808 325 A HN 0.246 nan 8.150 nan 0.000 0.449 326 P HA -0.025 nan 4.420 nan 0.000 0.261 326 P C -0.022 177.300 177.300 0.037 0.000 1.288 326 P CA 0.362 63.484 63.100 0.037 0.000 0.751 326 P CB -0.586 31.140 31.700 0.042 0.000 1.103 327 D N -0.936 119.477 120.400 0.022 0.000 2.405 327 D HA -0.118 4.522 4.640 -0.000 0.000 0.232 327 D C 1.446 177.757 176.300 0.018 0.000 1.240 327 D CA 0.152 54.162 54.000 0.017 0.000 0.881 327 D CB 0.838 41.644 40.800 0.010 0.000 1.222 327 D HN -0.228 nan 8.370 nan 0.000 0.482 328 V N 2.391 122.313 119.914 0.014 0.000 2.216 328 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 328 V C 2.406 178.503 176.094 0.005 0.000 1.044 328 V CA 1.889 64.195 62.300 0.010 0.000 0.995 328 V CB -0.651 31.176 31.823 0.008 0.000 0.633 328 V HN 0.611 nan 8.190 nan 0.000 0.446 329 K N 0.169 120.571 120.400 0.004 0.000 2.097 329 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 329 K C 2.236 178.834 176.600 -0.003 0.000 1.049 329 K CA 1.380 57.667 56.287 0.001 0.000 0.933 329 K CB -0.701 31.800 32.500 0.002 0.000 0.717 329 K HN 0.580 nan 8.250 nan 0.000 0.442 330 G N 1.321 110.120 108.800 -0.001 0.000 2.459 330 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 330 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 330 G C 1.510 176.406 174.900 -0.007 0.000 1.183 330 G CA 0.665 45.762 45.100 -0.005 0.000 0.776 330 G HN 0.238 nan 8.290 nan 0.000 0.552 331 R N 0.210 120.714 120.500 0.007 0.000 2.113 331 R HA -0.151 4.189 4.340 -0.000 0.000 0.244 331 R C 2.474 178.772 176.300 -0.003 0.000 1.142 331 R CA 1.957 58.065 56.100 0.014 0.000 0.953 331 R CB -0.287 30.025 30.300 0.021 0.000 0.860 331 R HN 0.583 nan 8.270 nan 0.000 0.438 332 E N 0.253 120.448 120.200 -0.008 0.000 2.005 332 E HA -0.285 4.065 4.350 -0.000 0.000 0.198 332 E C 2.030 178.617 176.600 -0.022 0.000 1.010 332 E CA 1.822 58.215 56.400 -0.013 0.000 0.825 332 E CB -0.082 29.612 29.700 -0.010 0.000 0.769 332 E HN 0.281 nan 8.360 nan 0.000 0.456 333 Q N -0.293 119.492 119.800 -0.025 0.000 2.096 333 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 333 Q C 2.222 178.178 176.000 -0.074 0.000 0.993 333 Q CA 2.132 57.912 55.803 -0.038 0.000 0.862 333 Q CB -0.168 28.552 28.738 -0.031 0.000 0.915 333 Q HN 0.469 nan 8.270 nan 0.000 0.416 334 I N 0.149 120.666 120.570 -0.089 0.000 2.252 334 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 334 I C 2.301 178.338 176.117 -0.134 0.000 1.102 334 I CA 1.178 62.375 61.300 -0.171 0.000 1.385 334 I CB -1.038 36.892 38.000 -0.117 0.000 1.064 334 I HN 0.304 nan 8.210 nan 0.000 0.414 335 L N 0.250 121.449 121.223 -0.040 0.000 2.131 335 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 335 L C 2.881 179.753 176.870 0.005 0.000 1.092 335 L CA 1.188 56.029 54.840 0.002 0.000 0.759 335 L CB -0.348 41.710 42.059 -0.002 0.000 0.903 335 L HN 0.189 nan 8.230 nan 0.000 0.435 336 R N -0.033 120.456 120.500 -0.017 0.000 2.056 336 R HA -0.109 4.231 4.340 -0.000 0.000 0.227 336 R C 2.209 178.509 176.300 -0.000 0.000 1.149 336 R CA 1.435 57.531 56.100 -0.007 0.000 0.937 336 R CB -0.359 29.934 30.300 -0.013 0.000 0.835 336 R HN 0.100 nan 8.270 nan 0.000 0.430 337 I N -0.008 120.536 120.570 -0.043 0.000 2.300 337 I HA -0.320 3.850 4.170 -0.000 0.000 0.252 337 I C 1.143 177.305 176.117 0.074 0.000 1.119 337 I CA 1.599 62.877 61.300 -0.037 0.000 1.384 337 I CB -0.147 37.775 38.000 -0.131 0.000 1.062 337 I HN 0.323 nan 8.210 nan 0.000 0.426 338 H N -1.150 117.923 119.070 0.004 0.000 2.507 338 H HA 0.417 4.972 4.556 -0.000 0.000 0.294 338 H C 1.001 176.330 175.328 0.003 0.000 1.064 338 H CA 0.123 56.171 56.048 0.001 0.000 1.138 338 H CB 0.379 30.137 29.762 -0.007 0.000 1.515 338 H HN 0.277 nan 8.280 nan 0.000 0.547 339 A N 0.384 123.272 122.820 0.113 0.000 2.606 339 A HA 0.175 4.495 4.320 -0.000 0.000 0.290 339 A C 1.680 179.292 177.584 0.047 0.000 1.174 339 A CA -0.419 51.655 52.037 0.063 0.000 0.958 339 A CB 0.110 19.135 19.000 0.042 0.000 1.194 339 A HN 0.238 nan 8.150 nan 0.000 0.526 340 R N 0.453 120.987 120.500 0.058 0.000 2.057 340 R HA -0.024 4.316 4.340 -0.000 0.000 0.229 340 R C 1.412 177.730 176.300 0.031 0.000 1.136 340 R CA 1.017 57.143 56.100 0.043 0.000 0.952 340 R CB -0.253 30.079 30.300 0.053 0.000 0.848 340 R HN 0.479 nan 8.270 nan 0.000 0.430 341 G N 1.598 110.415 108.800 0.029 0.000 2.527 341 G HA2 0.118 4.078 3.960 -0.000 0.000 0.248 341 G HA3 0.118 4.078 3.960 -0.000 0.000 0.248 341 G C -0.554 174.355 174.900 0.015 0.000 1.231 341 G CA -0.349 44.762 45.100 0.017 0.000 0.838 341 G HN 0.072 nan 8.290 nan 0.000 0.570 342 K N -0.095 120.312 120.400 0.011 0.000 7.415 342 K HA -0.127 4.193 4.320 -0.000 0.000 0.652 342 K C -2.610 173.996 176.600 0.010 0.000 2.588 342 K CA 0.289 56.581 56.287 0.009 0.000 1.948 342 K CB -0.431 32.073 32.500 0.007 0.000 2.086 342 K HN 0.504 nan 8.250 nan 0.000 0.274 343 P HA 0.634 nan 4.420 nan 0.000 0.285 343 P C -1.058 176.246 177.300 0.006 0.000 1.285 343 P CA -0.832 62.273 63.100 0.007 0.000 0.854 343 P CB 0.670 32.374 31.700 0.006 0.000 1.180 344 L N -1.294 119.932 121.223 0.005 0.000 2.505 344 L HA 0.690 5.030 4.340 -0.000 0.000 0.266 344 L C 0.072 176.943 176.870 0.002 0.000 0.954 344 L CA -0.921 53.920 54.840 0.003 0.000 0.852 344 L CB 1.266 43.327 42.059 0.003 0.000 1.282 344 L HN 0.334 nan 8.230 nan 0.000 0.403 345 A N 1.652 124.472 122.820 0.000 0.000 3.197 345 A HA 0.385 4.705 4.320 -0.000 0.000 0.263 345 A C 0.707 178.290 177.584 -0.001 0.000 1.524 345 A CA -0.398 51.639 52.037 -0.000 0.000 1.176 345 A CB -0.800 18.200 19.000 -0.000 0.000 1.096 345 A HN 0.817 nan 8.150 nan 0.000 0.655 346 E N -0.646 119.553 120.200 -0.002 0.000 2.605 346 E HA 0.300 4.650 4.350 -0.000 0.000 0.255 346 E C -0.304 176.293 176.600 -0.004 0.000 1.369 346 E CA 0.033 56.430 56.400 -0.004 0.000 1.017 346 E CB 0.461 30.158 29.700 -0.004 0.000 1.086 346 E HN 0.156 nan 8.360 nan 0.000 0.605 347 D N -1.516 118.880 120.400 -0.006 0.000 2.319 347 D HA 0.079 4.719 4.640 -0.000 0.000 0.406 347 D C 0.694 176.990 176.300 -0.007 0.000 1.087 347 D CA -0.074 53.923 54.000 -0.006 0.000 0.945 347 D CB 0.750 41.546 40.800 -0.005 0.000 1.430 347 D HN 0.222 nan 8.370 nan 0.000 0.487 348 V N 0.169 120.077 119.914 -0.009 0.000 3.125 348 V HA 0.066 4.185 4.120 -0.000 0.000 0.249 348 V C 0.331 176.418 176.094 -0.011 0.000 1.113 348 V CA 1.088 63.381 62.300 -0.012 0.000 1.106 348 V CB 0.066 31.879 31.823 -0.016 0.000 0.768 348 V HN 0.264 nan 8.190 nan 0.000 0.468 349 D N -1.155 119.239 120.400 -0.009 0.000 3.068 349 D HA -0.227 4.413 4.640 -0.000 0.000 0.218 349 D C 1.103 177.398 176.300 -0.010 0.000 1.145 349 D CA 1.007 55.002 54.000 -0.008 0.000 0.896 349 D CB -1.080 39.716 40.800 -0.006 0.000 1.105 349 D HN 0.438 nan 8.370 nan 0.000 0.423 350 L N -3.386 117.829 121.223 -0.013 0.000 5.394 350 L HA -0.410 3.930 4.340 -0.000 0.000 0.428 350 L C 2.226 179.084 176.870 -0.021 0.000 0.929 350 L CA 1.985 56.814 54.840 -0.017 0.000 1.462 350 L CB -1.711 40.341 42.059 -0.012 0.000 1.520 350 L HN 0.343 nan 8.230 nan 0.000 0.636 351 A N -0.075 122.735 122.820 -0.016 0.000 1.851 351 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 351 A C 1.845 179.417 177.584 -0.020 0.000 1.195 351 A CA 2.153 54.180 52.037 -0.015 0.000 0.622 351 A CB -0.470 18.523 19.000 -0.011 0.000 0.831 351 A HN 0.361 nan 8.150 nan 0.000 0.444 352 L N -0.921 120.290 121.223 -0.020 0.000 2.633 352 L HA -0.028 4.312 4.340 -0.000 0.000 0.235 352 L C 1.995 178.844 176.870 -0.035 0.000 1.163 352 L CA 0.365 55.191 54.840 -0.023 0.000 0.859 352 L CB -0.037 42.011 42.059 -0.019 0.000 0.973 352 L HN 0.474 nan 8.230 nan 0.000 0.451 353 L N -1.865 119.333 121.223 -0.042 0.000 2.316 353 L HA 0.171 4.511 4.340 -0.000 0.000 0.207 353 L C 2.457 179.281 176.870 -0.077 0.000 1.070 353 L CA 1.336 56.137 54.840 -0.065 0.000 0.820 353 L CB -0.296 41.723 42.059 -0.066 0.000 0.992 353 L HN 0.130 nan 8.230 nan 0.000 0.466 354 A N -0.378 122.411 122.820 -0.052 0.000 1.873 354 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 354 A C 2.337 179.899 177.584 -0.037 0.000 1.193 354 A CA 1.919 53.932 52.037 -0.040 0.000 0.629 354 A CB -0.562 18.427 19.000 -0.020 0.000 0.826 354 A HN 0.318 nan 8.150 nan 0.000 0.447 355 K N -0.955 119.428 120.400 -0.029 0.000 2.283 355 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 355 K C 1.926 178.508 176.600 -0.030 0.000 1.048 355 K CA 0.984 57.259 56.287 -0.021 0.000 0.948 355 K CB -0.090 32.401 32.500 -0.015 0.000 0.742 355 K HN 0.370 nan 8.250 nan 0.000 0.458 356 R N -0.706 119.764 120.500 -0.051 0.000 2.317 356 R HA 0.011 4.351 4.340 -0.000 0.000 0.208 356 R C 0.489 176.723 176.300 -0.110 0.000 0.914 356 R CA 0.480 56.541 56.100 -0.064 0.000 1.060 356 R CB 0.518 30.778 30.300 -0.066 0.000 1.015 356 R HN -0.148 nan 8.270 nan 0.000 0.498 357 T N 0.880 115.356 114.554 -0.130 0.000 3.732 357 T HA 0.213 4.563 4.350 -0.000 0.000 0.234 357 T C -2.225 172.452 174.700 -0.037 0.000 1.146 357 T CA -1.789 60.190 62.100 -0.201 0.000 1.454 357 T CB 0.591 69.146 68.868 -0.523 0.000 0.910 357 T HN -0.021 nan 8.240 nan 0.000 0.640 358 P HA 0.049 nan 4.420 nan 0.000 0.210 358 P C 1.044 178.402 177.300 0.098 0.000 1.191 358 P CA 0.697 63.824 63.100 0.045 0.000 0.917 358 P CB -0.412 31.309 31.700 0.035 0.000 0.778 359 G N -0.117 108.754 108.800 0.119 0.000 2.334 359 G HA2 0.339 4.299 3.960 -0.000 0.000 0.261 359 G HA3 0.339 4.299 3.960 -0.000 0.000 0.261 359 G C -1.022 174.073 174.900 0.324 0.000 1.257 359 G CA 0.266 45.458 45.100 0.153 0.000 0.935 359 G HN 0.148 nan 8.290 nan 0.000 0.480 360 F N 1.255 121.207 119.950 0.002 0.000 2.612 360 F HA 0.131 4.658 4.527 -0.000 0.000 0.306 360 F C -0.083 175.716 175.800 -0.000 0.000 0.981 360 F CA -0.883 57.118 58.000 0.002 0.000 1.037 360 F CB 0.546 39.548 39.000 0.003 0.000 1.301 360 F HN 0.560 nan 8.300 nan 0.000 0.554 361 V N 2.896 122.741 119.914 -0.115 0.000 3.170 361 V HA 0.568 4.688 4.120 -0.000 0.000 0.309 361 V C 1.159 177.253 176.094 0.000 0.000 1.071 361 V CA 0.259 62.526 62.300 -0.055 0.000 1.063 361 V CB 1.080 32.842 31.823 -0.102 0.000 1.123 361 V HN 0.938 nan 8.190 nan 0.000 0.464 362 G N 0.137 108.942 108.800 0.009 0.000 2.404 362 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 362 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 362 G C 1.498 176.428 174.900 0.051 0.000 1.174 362 G CA 0.997 46.117 45.100 0.033 0.000 0.780 362 G HN 1.014 nan 8.290 nan 0.000 0.537 363 A N 0.664 123.481 122.820 -0.005 0.000 2.015 363 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 363 A C 2.065 179.630 177.584 -0.032 0.000 1.163 363 A CA 2.006 54.033 52.037 -0.016 0.000 0.646 363 A CB -0.345 18.634 19.000 -0.035 0.000 0.806 363 A HN 0.270 nan 8.150 nan 0.000 0.448 364 D N 0.096 120.434 120.400 -0.103 0.000 2.084 364 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 364 D C 1.980 178.341 176.300 0.103 0.000 0.990 364 D CA 1.034 54.890 54.000 -0.239 0.000 0.826 364 D CB -0.321 40.014 40.800 -0.775 0.000 0.971 364 D HN 0.407 nan 8.370 nan 0.000 0.453 365 L N 0.810 122.188 121.223 0.258 0.000 1.990 365 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 365 L C 2.526 179.540 176.870 0.239 0.000 1.072 365 L CA 1.415 56.480 54.840 0.375 0.000 0.755 365 L CB -0.413 41.804 42.059 0.262 0.000 0.889 365 L HN 0.143 nan 8.230 nan 0.000 0.432 366 E N 0.240 120.555 120.200 0.191 0.000 2.049 366 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 366 E C 1.634 178.251 176.600 0.029 0.000 1.007 366 E CA 1.411 57.865 56.400 0.090 0.000 0.809 366 E CB -0.020 29.629 29.700 -0.084 0.000 0.749 366 E HN 0.433 nan 8.360 nan 0.000 0.450 367 N N 0.791 119.514 118.700 0.038 0.000 2.609 367 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 367 N C 1.606 177.164 175.510 0.081 0.000 1.157 367 N CA 0.268 53.338 53.050 0.034 0.000 0.918 367 N CB -0.002 38.494 38.487 0.015 0.000 0.978 367 N HN 0.265 nan 8.380 nan 0.000 0.448 368 L N -0.813 120.492 121.223 0.137 0.000 2.145 368 L HA 0.149 4.489 4.340 -0.000 0.000 0.201 368 L C 1.795 178.703 176.870 0.064 0.000 1.075 368 L CA 1.115 56.038 54.840 0.138 0.000 0.773 368 L CB -0.332 41.840 42.059 0.189 0.000 0.936 368 L HN -0.020 nan 8.230 nan 0.000 0.451 369 L N -0.005 121.253 121.223 0.058 0.000 2.049 369 L HA -0.123 4.217 4.340 -0.000 0.000 0.203 369 L C 2.364 179.243 176.870 0.016 0.000 1.074 369 L CA 1.618 56.478 54.840 0.033 0.000 0.749 369 L CB -0.587 41.500 42.059 0.046 0.000 0.907 369 L HN 0.409 nan 8.230 nan 0.000 0.439 370 N N -0.140 118.562 118.700 0.004 0.000 2.184 370 N HA -0.285 4.455 4.740 -0.000 0.000 0.190 370 N C 1.701 177.211 175.510 0.000 0.000 1.011 370 N CA 1.427 54.471 53.050 -0.011 0.000 0.867 370 N CB 0.126 38.594 38.487 -0.031 0.000 0.993 370 N HN 0.181 nan 8.380 nan 0.000 0.433 371 E N -0.274 119.934 120.200 0.012 0.000 2.072 371 E HA 0.075 4.425 4.350 -0.000 0.000 0.190 371 E C 1.844 178.452 176.600 0.012 0.000 0.982 371 E CA 1.061 57.470 56.400 0.015 0.000 0.803 371 E CB -0.400 29.317 29.700 0.027 0.000 0.755 371 E HN 0.414 nan 8.360 nan 0.000 0.453 372 A N 0.956 123.783 122.820 0.013 0.000 1.892 372 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 372 A C 2.426 180.013 177.584 0.004 0.000 1.188 372 A CA 2.425 54.466 52.037 0.007 0.000 0.631 372 A CB -1.156 17.846 19.000 0.004 0.000 0.822 372 A HN 0.373 nan 8.150 nan 0.000 0.447 373 A N -0.399 122.423 122.820 0.004 0.000 1.877 373 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 373 A C 2.044 179.629 177.584 0.002 0.000 1.186 373 A CA 1.485 53.523 52.037 0.002 0.000 0.620 373 A CB -0.659 18.341 19.000 0.001 0.000 0.822 373 A HN 0.496 nan 8.150 nan 0.000 0.443 374 L N -0.327 120.897 121.223 0.002 0.000 2.549 374 L HA -0.089 4.251 4.340 -0.000 0.000 0.230 374 L C 2.294 179.166 176.870 0.003 0.000 1.162 374 L CA 0.172 55.013 54.840 0.002 0.000 0.834 374 L CB -0.442 41.618 42.059 0.002 0.000 0.947 374 L HN 0.399 nan 8.230 nan 0.000 0.452 375 L N -0.413 120.812 121.223 0.003 0.000 2.027 375 L HA -0.214 4.126 4.340 -0.000 0.000 0.206 375 L C 2.812 179.683 176.870 0.002 0.000 1.074 375 L CA 1.366 56.208 54.840 0.003 0.000 0.745 375 L CB -0.345 41.716 42.059 0.003 0.000 0.898 375 L HN 0.329 nan 8.230 nan 0.000 0.433 376 A N -0.267 122.554 122.820 0.002 0.000 1.841 376 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 376 A C 2.347 179.932 177.584 0.001 0.000 1.195 376 A CA 1.603 53.641 52.037 0.001 0.000 0.611 376 A CB -0.926 18.075 19.000 0.001 0.000 0.835 376 A HN 0.443 nan 8.150 nan 0.000 0.443 377 A N -0.999 121.822 122.820 0.001 0.000 2.178 377 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 377 A C 2.132 179.716 177.584 0.001 0.000 1.157 377 A CA 1.279 53.317 52.037 0.001 0.000 0.689 377 A CB -0.491 18.509 19.000 0.001 0.000 0.787 377 A HN 0.520 nan 8.150 nan 0.000 0.465 378 R N -0.979 119.522 120.500 0.001 0.000 2.119 378 R HA -0.014 4.326 4.340 -0.000 0.000 0.222 378 R C 1.315 177.616 176.300 0.002 0.000 1.088 378 R CA 1.411 57.512 56.100 0.002 0.000 0.984 378 R CB 0.020 30.322 30.300 0.002 0.000 0.884 378 R HN 0.656 nan 8.270 nan 0.000 0.447 379 E N -1.610 118.591 120.200 0.001 0.000 2.485 379 E HA 0.127 4.477 4.350 -0.000 0.000 0.213 379 E C -0.114 176.486 176.600 0.001 0.000 0.923 379 E CA 0.271 56.672 56.400 0.001 0.000 1.054 379 E CB 1.379 31.080 29.700 0.001 0.000 1.077 379 E HN 0.358 nan 8.360 nan 0.000 0.509 380 G N 2.541 111.342 108.800 0.001 0.000 2.643 380 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.280 380 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.280 380 G C -0.630 174.270 174.900 0.001 0.000 1.120 380 G CA -0.204 44.897 45.100 0.001 0.000 1.165 380 G HN -0.010 nan 8.290 nan 0.000 0.540 381 R N 0.431 120.931 120.500 0.001 0.000 2.514 381 R HA 0.592 4.932 4.340 -0.000 0.000 0.301 381 R C 0.551 176.851 176.300 0.001 0.000 0.962 381 R CA -0.888 55.212 56.100 0.001 0.000 0.882 381 R CB 1.299 31.599 30.300 0.001 0.000 1.143 381 R HN 0.331 nan 8.270 nan 0.000 0.452 382 R N 3.727 124.227 120.500 0.001 0.000 2.248 382 R HA 0.189 4.529 4.340 -0.000 0.000 0.328 382 R C -0.419 175.882 176.300 0.001 0.000 1.067 382 R CA -0.221 55.880 56.100 0.001 0.000 0.924 382 R CB 0.387 30.688 30.300 0.001 0.000 1.013 382 R HN 0.656 nan 8.270 nan 0.000 0.454 383 K N 1.040 121.441 120.400 0.002 0.000 5.504 383 K HA -0.202 4.118 4.320 -0.000 0.000 0.578 383 K C -0.703 175.898 176.600 0.001 0.000 2.575 383 K CA 0.561 56.849 56.287 0.002 0.000 2.024 383 K CB -0.532 31.969 32.500 0.001 0.000 2.552 383 K HN 0.570 nan 8.250 nan 0.000 0.185 384 I N -0.426 120.144 120.570 0.001 0.000 2.436 384 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 384 I C 0.623 176.739 176.117 -0.002 0.000 1.010 384 I CA -0.696 60.604 61.300 -0.001 0.000 1.098 384 I CB 1.843 39.843 38.000 -0.000 0.000 1.266 384 I HN 0.553 nan 8.210 nan 0.000 0.434 385 T N 2.636 117.188 114.554 -0.003 0.000 2.667 385 T HA 0.141 4.491 4.350 -0.000 0.000 0.305 385 T C 0.869 175.564 174.700 -0.008 0.000 1.022 385 T CA -0.271 61.826 62.100 -0.005 0.000 0.995 385 T CB 0.449 69.314 68.868 -0.005 0.000 1.026 385 T HN 0.640 nan 8.240 nan 0.000 0.527 386 M N -0.167 119.426 119.600 -0.010 0.000 2.556 386 M HA 0.167 4.647 4.480 -0.000 0.000 0.245 386 M C 1.946 178.236 176.300 -0.017 0.000 1.128 386 M CA 0.822 56.113 55.300 -0.015 0.000 1.069 386 M CB 0.007 32.597 32.600 -0.017 0.000 1.469 386 M HN 0.350 nan 8.290 nan 0.000 0.494 387 K N -0.142 120.251 120.400 -0.013 0.000 2.418 387 K HA -0.021 4.299 4.320 -0.000 0.000 0.195 387 K C 0.214 176.807 176.600 -0.011 0.000 1.035 387 K CA 0.818 57.098 56.287 -0.012 0.000 1.003 387 K CB 0.171 32.666 32.500 -0.008 0.000 0.793 387 K HN 0.302 nan 8.250 nan 0.000 0.494 388 D N 0.248 120.642 120.400 -0.010 0.000 2.350 388 D HA 0.039 4.679 4.640 -0.000 0.000 0.213 388 D C 1.512 177.805 176.300 -0.012 0.000 1.031 388 D CA 0.325 54.321 54.000 -0.008 0.000 0.861 388 D CB 0.385 41.182 40.800 -0.005 0.000 0.926 388 D HN 0.048 nan 8.370 nan 0.000 0.520 389 L N -0.058 121.154 121.223 -0.019 0.000 2.316 389 L HA 0.117 4.457 4.340 -0.000 0.000 0.207 389 L C 2.022 178.865 176.870 -0.045 0.000 1.070 389 L CA 0.504 55.327 54.840 -0.029 0.000 0.820 389 L CB 0.032 42.071 42.059 -0.032 0.000 0.992 389 L HN -0.041 nan 8.230 nan 0.000 0.466 390 E N 0.693 120.868 120.200 -0.041 0.000 2.058 390 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 390 E C 1.878 178.457 176.600 -0.035 0.000 0.997 390 E CA 1.490 57.863 56.400 -0.045 0.000 0.801 390 E CB 0.084 29.765 29.700 -0.032 0.000 0.746 390 E HN 0.427 nan 8.360 nan 0.000 0.450 391 E N -0.088 120.100 120.200 -0.020 0.000 2.204 391 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 391 E C 1.793 178.390 176.600 -0.005 0.000 0.990 391 E CA 0.719 57.114 56.400 -0.009 0.000 0.821 391 E CB -0.005 29.692 29.700 -0.004 0.000 0.750 391 E HN 0.225 nan 8.360 nan 0.000 0.477 392 A N 0.668 123.482 122.820 -0.012 0.000 2.119 392 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 392 A C 2.127 179.711 177.584 -0.000 0.000 1.153 392 A CA 1.220 53.257 52.037 -0.001 0.000 0.692 392 A CB -0.066 18.931 19.000 -0.005 0.000 0.799 392 A HN 0.261 nan 8.150 nan 0.000 0.458 393 A N -1.030 121.765 122.820 -0.041 0.000 2.169 393 A HA 0.174 4.494 4.320 -0.000 0.000 0.210 393 A C 1.323 178.908 177.584 0.002 0.000 1.168 393 A CA 0.960 52.955 52.037 -0.070 0.000 0.813 393 A CB -0.080 18.790 19.000 -0.216 0.000 0.861 393 A HN 0.361 nan 8.150 nan 0.000 0.481 394 D N -1.176 119.226 120.400 0.003 0.000 2.340 394 D HA 0.114 4.754 4.640 -0.000 0.000 0.220 394 D C 1.915 178.234 176.300 0.032 0.000 1.039 394 D CA 0.359 54.370 54.000 0.019 0.000 0.866 394 D CB 0.149 40.953 40.800 0.007 0.000 0.913 394 D HN 0.325 nan 8.370 nan 0.000 0.523 395 R N -0.712 119.813 120.500 0.041 0.000 2.167 395 R HA 0.104 4.444 4.340 -0.000 0.000 0.201 395 R C 1.315 177.653 176.300 0.063 0.000 1.024 395 R CA 0.384 56.510 56.100 0.043 0.000 1.053 395 R CB 0.519 30.840 30.300 0.034 0.000 0.987 395 R HN 0.056 nan 8.270 nan 0.000 0.493 396 V N 0.855 120.830 119.914 0.103 0.000 3.406 396 V HA -0.027 4.093 4.120 -0.000 0.000 0.263 396 V C 2.080 178.266 176.094 0.153 0.000 1.172 396 V CA 0.765 63.149 62.300 0.139 0.000 1.140 396 V CB -0.094 31.872 31.823 0.237 0.000 0.784 396 V HN 0.320 nan 8.190 nan 0.000 0.467 397 M N -0.519 119.172 119.600 0.152 0.000 2.358 397 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 397 M C 1.167 177.512 176.300 0.075 0.000 1.064 397 M CA 1.575 56.955 55.300 0.132 0.000 1.093 397 M CB 0.053 32.715 32.600 0.104 0.000 1.401 397 M HN 0.284 nan 8.290 nan 0.000 0.440 398 M N -0.643 118.991 119.600 0.056 0.000 3.004 398 M HA 0.198 4.678 4.480 -0.000 0.000 0.365 398 M C 0.349 176.664 176.300 0.025 0.000 1.317 398 M CA 0.071 55.392 55.300 0.035 0.000 0.821 398 M CB 0.890 33.509 32.600 0.031 0.000 1.387 398 M HN 0.231 nan 8.290 nan 0.000 0.501 399 L N 0.492 121.729 121.223 0.023 0.000 2.854 399 L HA 0.221 4.561 4.340 -0.000 0.000 0.249 399 L C -1.122 175.747 176.870 -0.002 0.000 1.091 399 L CA 0.056 54.903 54.840 0.011 0.000 0.935 399 L CB 0.286 42.354 42.059 0.015 0.000 1.367 399 L HN 0.137 nan 8.230 nan 0.000 0.524 400 P HA 0.151 nan 4.420 nan 0.000 0.248 400 P C -0.169 177.120 177.300 -0.018 0.000 1.550 400 P CA 0.876 63.961 63.100 -0.025 0.000 1.252 400 P CB 0.224 31.898 31.700 -0.043 0.000 1.869 401 A N 2.368 125.180 122.820 -0.013 0.000 4.354 401 A HA 0.137 4.457 4.320 -0.000 0.000 0.145 401 A C 0.083 177.662 177.584 -0.007 0.000 1.208 401 A CA -0.128 51.903 52.037 -0.011 0.000 1.177 401 A CB -0.580 18.414 19.000 -0.009 0.000 1.473 401 A HN 0.187 nan 8.150 nan 0.000 0.712 402 K N -0.694 119.703 120.400 -0.005 0.000 2.556 402 K HA 0.278 4.598 4.320 -0.000 0.000 0.201 402 K C -0.218 176.382 176.600 -0.000 0.000 1.423 402 K CA 0.327 56.612 56.287 -0.003 0.000 1.010 402 K CB 0.649 33.147 32.500 -0.004 0.000 1.409 402 K HN 0.348 nan 8.250 nan 0.000 0.538 403 K N 2.504 122.904 120.400 -0.000 0.000 2.281 403 K HA 0.184 4.504 4.320 -0.000 0.000 0.272 403 K C -0.580 176.022 176.600 0.003 0.000 1.048 403 K CA -0.250 56.039 56.287 0.002 0.000 0.898 403 K CB 1.695 34.196 32.500 0.001 0.000 1.128 403 K HN 0.066 nan 8.250 nan 0.000 0.460 404 S N 4.639 120.343 115.700 0.006 0.000 2.525 404 S HA 0.187 4.657 4.470 -0.000 0.000 0.285 404 S C 0.008 174.614 174.600 0.011 0.000 1.283 404 S CA -0.317 57.889 58.200 0.009 0.000 1.072 404 S CB 0.050 63.257 63.200 0.013 0.000 0.867 404 S HN 0.447 nan 8.310 nan 0.000 0.492 405 L N 3.331 124.561 121.223 0.011 0.000 2.376 405 L HA 0.804 5.144 4.340 -0.000 0.000 0.258 405 L C -0.713 176.168 176.870 0.018 0.000 1.013 405 L CA -1.081 53.766 54.840 0.012 0.000 0.822 405 L CB 2.340 44.402 42.059 0.005 0.000 1.388 405 L HN 0.610 nan 8.230 nan 0.000 0.413 406 V N 0.021 119.949 119.914 0.024 0.000 3.165 406 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 406 V C -0.613 175.502 176.094 0.036 0.000 1.267 406 V CA -0.999 61.324 62.300 0.037 0.000 1.067 406 V CB 2.080 33.934 31.823 0.051 0.000 1.082 406 V HN 0.631 nan 8.190 nan 0.000 0.451 407 L N 0.198 121.453 121.223 0.053 0.000 2.589 407 L HA 0.715 5.055 4.340 -0.000 0.000 0.244 407 L C 0.461 177.368 176.870 0.062 0.000 1.159 407 L CA -0.027 54.845 54.840 0.053 0.000 1.074 407 L CB 0.598 42.695 42.059 0.064 0.000 1.391 407 L HN 0.608 nan 8.230 nan 0.000 0.423 408 S N 1.912 117.646 115.700 0.055 0.000 2.593 408 S HA 0.364 4.834 4.470 -0.000 0.000 0.269 408 S C -0.932 173.710 174.600 0.071 0.000 1.334 408 S CA -0.790 57.446 58.200 0.060 0.000 1.015 408 S CB 0.559 63.793 63.200 0.056 0.000 0.912 408 S HN 0.524 nan 8.310 nan 0.000 0.541 409 P HA -0.132 nan 4.420 nan 0.000 0.223 409 P C 0.887 178.253 177.300 0.110 0.000 1.140 409 P CA 1.126 64.273 63.100 0.077 0.000 0.783 409 P CB 0.029 31.766 31.700 0.062 0.000 0.759 410 R N -0.761 119.811 120.500 0.121 0.000 2.307 410 R HA 0.037 4.377 4.340 -0.000 0.000 0.200 410 R C 1.189 177.591 176.300 0.170 0.000 0.893 410 R CA 0.126 56.338 56.100 0.186 0.000 1.042 410 R CB 0.308 30.720 30.300 0.186 0.000 1.059 410 R HN -0.008 nan 8.270 nan 0.000 0.530 411 D N 0.255 120.715 120.400 0.099 0.000 2.183 411 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 411 D C 1.729 178.064 176.300 0.059 0.000 0.962 411 D CA 0.671 54.702 54.000 0.052 0.000 0.849 411 D CB 0.126 40.946 40.800 0.033 0.000 0.978 411 D HN 0.099 nan 8.370 nan 0.000 0.488 412 R N 0.658 121.208 120.500 0.083 0.000 2.062 412 R HA -0.062 4.277 4.340 -0.000 0.000 0.231 412 R C 2.323 178.702 176.300 0.133 0.000 1.136 412 R CA 1.041 57.191 56.100 0.084 0.000 0.948 412 R CB -0.131 30.215 30.300 0.076 0.000 0.845 412 R HN 0.028 nan 8.270 nan 0.000 0.430 413 R N 0.938 121.554 120.500 0.194 0.000 2.117 413 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 413 R C 2.021 178.649 176.300 0.547 0.000 1.143 413 R CA 1.584 57.885 56.100 0.334 0.000 0.968 413 R CB -0.571 29.927 30.300 0.330 0.000 0.863 413 R HN 0.273 nan 8.270 nan 0.000 0.444 414 I N 0.477 121.245 120.570 0.330 0.000 2.086 414 I HA -0.272 3.898 4.170 -0.000 0.000 0.233 414 I C 2.001 178.193 176.117 0.125 0.000 1.060 414 I CA 2.306 63.591 61.300 -0.026 0.000 1.326 414 I CB -0.555 37.158 38.000 -0.479 0.000 1.067 414 I HN 0.511 nan 8.210 nan 0.000 0.398 415 T N 0.139 114.720 114.554 0.044 0.000 2.714 415 T HA -0.312 4.037 4.350 -0.000 0.000 0.268 415 T C 1.885 176.662 174.700 0.129 0.000 1.036 415 T CA 1.488 63.609 62.100 0.034 0.000 1.148 415 T CB -1.366 67.496 68.868 -0.011 0.000 0.856 415 T HN 0.497 nan 8.240 nan 0.000 0.462 416 A N 1.032 123.931 122.820 0.132 0.000 1.851 416 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 416 A C 2.171 179.800 177.584 0.074 0.000 1.195 416 A CA 1.633 53.713 52.037 0.072 0.000 0.622 416 A CB -1.391 17.613 19.000 0.007 0.000 0.831 416 A HN 0.581 nan 8.150 nan 0.000 0.444 417 Y N -0.999 119.418 120.300 0.195 0.000 2.315 417 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 417 Y C 2.433 178.398 175.900 0.109 0.000 1.154 417 Y CA 2.021 60.228 58.100 0.177 0.000 1.229 417 Y CB -0.464 38.168 38.460 0.287 0.000 0.980 417 Y HN 0.624 nan 8.280 nan 0.000 0.540 418 H N -0.685 118.471 119.070 0.144 0.000 2.363 418 H HA -0.093 4.463 4.556 -0.000 0.000 0.301 418 H C 2.089 177.389 175.328 -0.047 0.000 1.074 418 H CA 1.412 57.462 56.048 0.004 0.000 1.354 418 H CB 0.290 30.050 29.762 -0.004 0.000 1.397 418 H HN 0.055 nan 8.280 nan 0.000 0.516 419 E N -0.203 120.124 120.200 0.212 0.000 2.358 419 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 419 E C 1.957 178.643 176.600 0.144 0.000 1.010 419 E CA 0.663 57.184 56.400 0.201 0.000 0.856 419 E CB 0.138 29.932 29.700 0.156 0.000 0.795 419 E HN 0.552 nan 8.360 nan 0.000 0.504 420 A N 0.268 123.148 122.820 0.101 0.000 2.021 420 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 420 A C 2.283 179.931 177.584 0.107 0.000 1.163 420 A CA 1.205 53.313 52.037 0.118 0.000 0.676 420 A CB -0.513 18.514 19.000 0.045 0.000 0.818 420 A HN 0.288 nan 8.150 nan 0.000 0.453 421 G N -0.487 108.323 108.800 0.017 0.000 2.480 421 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 421 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 421 G C 1.485 176.352 174.900 -0.056 0.000 1.200 421 G CA 1.177 46.234 45.100 -0.071 0.000 0.782 421 G HN 0.590 nan 8.290 nan 0.000 0.554 422 H N 1.112 120.195 119.070 0.021 0.000 2.319 422 H HA -0.093 4.463 4.556 -0.000 0.000 0.297 422 H C 2.970 178.307 175.328 0.015 0.000 1.097 422 H CA 1.468 57.519 56.048 0.006 0.000 1.285 422 H CB -0.877 28.916 29.762 0.053 0.000 1.368 422 H HN 0.373 nan 8.280 nan 0.000 0.495 423 A N 1.052 123.994 122.820 0.203 0.000 1.849 423 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 423 A C 2.638 180.297 177.584 0.125 0.000 1.202 423 A CA 1.673 53.830 52.037 0.200 0.000 0.629 423 A CB -1.158 17.970 19.000 0.214 0.000 0.834 423 A HN 0.322 nan 8.150 nan 0.000 0.447 424 L N -0.951 120.400 121.223 0.214 0.000 2.450 424 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 424 L C 2.535 179.356 176.870 -0.081 0.000 1.149 424 L CA 0.760 55.697 54.840 0.161 0.000 0.816 424 L CB -0.296 41.854 42.059 0.152 0.000 0.932 424 L HN 0.498 nan 8.230 nan 0.000 0.449 425 A N -0.673 122.067 122.820 -0.132 0.000 1.991 425 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 425 A C 2.359 179.565 177.584 -0.629 0.000 1.487 425 A CA 0.842 52.687 52.037 -0.321 0.000 0.603 425 A CB -1.264 17.655 19.000 -0.135 0.000 1.112 425 A HN 0.297 nan 8.150 nan 0.000 0.492 426 A N -0.719 121.917 122.820 -0.308 0.000 2.117 426 A HA -0.220 4.100 4.320 -0.000 0.000 0.224 426 A C 1.218 178.620 177.584 -0.303 0.000 1.167 426 A CA 2.142 54.056 52.037 -0.204 0.000 0.664 426 A CB -1.086 17.904 19.000 -0.017 0.000 0.811 426 A HN 0.762 nan 8.150 nan 0.000 0.470 427 H N -0.494 118.229 119.070 -0.579 0.000 2.761 427 H HA 0.495 5.051 4.556 -0.000 0.000 0.284 427 H C -0.234 174.831 175.328 -0.439 0.000 1.105 427 H CA -0.894 54.902 56.048 -0.420 0.000 1.352 427 H CB -0.173 29.336 29.762 -0.422 0.000 1.423 427 H HN 0.204 nan 8.280 nan 0.000 0.464 428 F N 3.136 122.850 119.950 -0.393 0.000 3.231 428 F HA 0.669 5.196 4.527 -0.000 0.000 0.338 428 F C -1.488 174.101 175.800 -0.352 0.000 1.331 428 F CA -1.665 56.116 58.000 -0.366 0.000 1.035 428 F CB 0.124 39.030 39.000 -0.157 0.000 1.578 428 F HN 0.268 nan 8.300 nan 0.000 0.500 429 L N -0.215 121.032 121.223 0.040 0.000 2.556 429 L HA 0.478 4.818 4.340 -0.000 0.000 0.257 429 L C -1.226 175.596 176.870 -0.081 0.000 0.955 429 L CA -0.707 54.111 54.840 -0.037 0.000 0.850 429 L CB 1.815 43.849 42.059 -0.041 0.000 1.398 429 L HN 0.698 nan 8.230 nan 0.000 0.412 430 E N 3.068 123.209 120.200 -0.099 0.000 3.179 430 E HA -0.248 4.102 4.350 -0.000 0.000 0.148 430 E C 0.088 176.564 176.600 -0.207 0.000 1.916 430 E CA 1.721 57.997 56.400 -0.207 0.000 0.709 430 E CB -1.108 28.373 29.700 -0.366 0.000 1.081 430 E HN 0.823 nan 8.360 nan 0.000 0.351 431 H N -1.666 117.314 119.070 -0.151 0.000 4.059 431 H HA -0.211 4.345 4.556 -0.000 0.000 0.139 431 H C 0.468 175.613 175.328 -0.304 0.000 0.756 431 H CA 0.157 56.094 56.048 -0.186 0.000 1.257 431 H CB -1.508 28.156 29.762 -0.162 0.000 0.775 431 H HN 0.661 nan 8.280 nan 0.000 0.511 432 A N 1.520 124.122 122.820 -0.363 0.000 2.296 432 A HA 0.480 4.800 4.320 -0.000 0.000 0.264 432 A C -0.258 177.142 177.584 -0.307 0.000 1.097 432 A CA 0.352 51.891 52.037 -0.830 0.000 0.811 432 A CB 0.477 18.263 19.000 -2.024 0.000 1.072 432 A HN 0.339 nan 8.150 nan 0.000 0.495 433 D N -1.134 119.184 120.400 -0.135 0.000 2.970 433 D HA 0.621 5.261 4.640 -0.000 0.000 0.230 433 D C -0.120 176.275 176.300 0.159 0.000 1.276 433 D CA 0.468 54.496 54.000 0.047 0.000 0.910 433 D CB 1.453 42.240 40.800 -0.022 0.000 1.590 433 D HN 1.019 nan 8.370 nan 0.000 0.551 434 G N -0.577 108.310 108.800 0.146 0.000 2.344 434 G HA2 0.513 4.473 3.960 -0.000 0.000 0.282 434 G HA3 0.513 4.473 3.960 -0.000 0.000 0.282 434 G C -1.243 173.731 174.900 0.124 0.000 1.281 434 G CA -0.074 45.104 45.100 0.131 0.000 0.877 434 G HN 1.058 nan 8.290 nan 0.000 0.494 435 V N -3.580 116.407 119.914 0.122 0.000 3.703 435 V HA 1.031 5.151 4.120 -0.000 0.000 0.306 435 V C -0.842 175.367 176.094 0.192 0.000 1.407 435 V CA -0.484 61.895 62.300 0.131 0.000 0.974 435 V CB 1.585 33.479 31.823 0.119 0.000 1.188 435 V HN 1.613 nan 8.190 nan 0.000 0.477 436 H N 0.356 119.411 119.070 -0.025 0.000 3.151 436 H HA 0.698 5.254 4.556 -0.000 0.000 0.333 436 H C -1.486 173.793 175.328 -0.082 0.000 1.093 436 H CA -0.332 55.654 56.048 -0.103 0.000 1.342 436 H CB 1.301 30.952 29.762 -0.185 0.000 1.983 436 H HN 0.970 nan 8.280 nan 0.000 0.503 437 K N 2.661 122.809 120.400 -0.419 0.000 2.535 437 K HA 0.399 4.719 4.320 -0.000 0.000 0.310 437 K C -1.883 174.524 176.600 -0.322 0.000 1.178 437 K CA -0.705 55.387 56.287 -0.326 0.000 1.052 437 K CB 0.280 32.706 32.500 -0.122 0.000 1.364 437 K HN 0.179 nan 8.250 nan 0.000 0.475 438 V N 1.676 121.389 119.914 -0.336 0.000 2.439 438 V HA 0.643 4.763 4.120 -0.000 0.000 0.282 438 V C -0.080 175.972 176.094 -0.070 0.000 1.039 438 V CA -0.161 62.017 62.300 -0.203 0.000 0.913 438 V CB 1.325 33.061 31.823 -0.144 0.000 0.983 438 V HN 0.916 nan 8.190 nan 0.000 0.460 439 T N 4.333 118.866 114.554 -0.035 0.000 2.792 439 T HA 0.645 4.995 4.350 -0.000 0.000 0.303 439 T C -0.787 173.920 174.700 0.012 0.000 1.310 439 T CA -0.530 61.567 62.100 -0.006 0.000 1.007 439 T CB 1.796 70.657 68.868 -0.010 0.000 1.335 439 T HN 0.447 nan 8.240 nan 0.000 0.504 440 I N 1.180 121.760 120.570 0.017 0.000 2.493 440 I HA 0.607 4.776 4.170 -0.000 0.000 0.298 440 I C -0.518 175.609 176.117 0.016 0.000 0.998 440 I CA -1.174 60.139 61.300 0.022 0.000 1.137 440 I CB 1.834 39.851 38.000 0.028 0.000 1.310 440 I HN 0.502 nan 8.210 nan 0.000 0.445 441 V N 5.017 124.938 119.914 0.013 0.000 4.139 441 V HA -0.132 3.988 4.120 -0.000 0.000 0.423 441 V C -2.070 174.024 176.094 0.000 0.000 0.673 441 V CA -0.050 62.253 62.300 0.005 0.000 1.778 441 V CB -1.314 30.515 31.823 0.011 0.000 2.178 441 V HN 0.877 nan 8.190 nan 0.000 0.486 442 P HA 0.227 nan 4.420 nan 0.000 0.233 442 P C 1.225 178.515 177.300 -0.016 0.000 1.119 442 P CA 0.824 63.918 63.100 -0.010 0.000 0.951 442 P CB 0.592 32.283 31.700 -0.014 0.000 1.004 443 R N -1.190 119.297 120.500 -0.020 0.000 1.242 443 R HA -0.167 4.173 4.340 -0.000 0.000 0.031 443 R C 1.713 177.994 176.300 -0.032 0.000 0.958 443 R CA 2.425 58.509 56.100 -0.026 0.000 1.982 443 R CB -2.389 27.896 30.300 -0.024 0.000 0.179 443 R HN 0.369 nan 8.270 nan 0.000 0.729 444 G N -0.178 108.604 108.800 -0.030 0.000 2.508 444 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.212 444 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.212 444 G C 1.326 176.195 174.900 -0.052 0.000 1.206 444 G CA 0.665 45.742 45.100 -0.038 0.000 0.822 444 G HN 0.330 nan 8.290 nan 0.000 0.550 445 R N 0.663 121.138 120.500 -0.042 0.000 2.208 445 R HA -0.225 4.115 4.340 -0.000 0.000 0.262 445 R C 2.351 178.600 176.300 -0.084 0.000 1.166 445 R CA 1.339 57.410 56.100 -0.049 0.000 0.987 445 R CB -0.553 29.728 30.300 -0.031 0.000 0.887 445 R HN 0.323 nan 8.270 nan 0.000 0.459 446 A N 0.343 123.103 122.820 -0.099 0.000 2.176 446 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 446 A C 1.528 178.921 177.584 -0.318 0.000 1.327 446 A CA 0.568 52.511 52.037 -0.157 0.000 1.015 446 A CB -0.325 18.610 19.000 -0.110 0.000 0.818 446 A HN 0.211 nan 8.150 nan 0.000 0.500 447 L N -2.158 118.888 121.223 -0.296 0.000 2.470 447 L HA 0.197 4.537 4.340 -0.000 0.000 0.219 447 L C 2.589 179.213 176.870 -0.410 0.000 1.071 447 L CA 0.782 55.381 54.840 -0.402 0.000 0.850 447 L CB -0.548 41.385 42.059 -0.210 0.000 1.040 447 L HN 0.385 nan 8.230 nan 0.000 0.475 448 G N 2.006 110.682 108.800 -0.207 0.000 2.857 448 G HA2 -0.391 3.568 3.960 -0.000 0.000 0.226 448 G HA3 -0.391 3.568 3.960 -0.000 0.000 0.226 448 G C 1.134 176.063 174.900 0.049 0.000 1.100 448 G CA 1.591 46.660 45.100 -0.052 0.000 0.744 448 G HN 0.552 nan 8.290 nan 0.000 0.642 449 F N 0.383 120.360 119.950 0.045 0.000 2.726 449 F HA 0.539 5.066 4.527 -0.000 0.000 0.296 449 F C 1.123 176.956 175.800 0.056 0.000 1.250 449 F CA -0.052 57.979 58.000 0.052 0.000 1.434 449 F CB -0.496 38.499 39.000 -0.009 0.000 1.043 449 F HN 0.364 nan 8.300 nan 0.000 0.508 450 M N -3.001 116.728 119.600 0.215 0.000 1.392 450 M HA 0.181 4.661 4.480 -0.000 0.000 0.170 450 M C 0.955 177.465 176.300 0.350 0.000 1.329 450 M CA -0.049 55.451 55.300 0.332 0.000 0.615 450 M CB -0.140 32.558 32.600 0.163 0.000 1.677 450 M HN -0.051 nan 8.290 nan 0.000 0.642 451 M N 2.221 121.915 119.600 0.158 0.000 2.352 451 M HA -0.034 4.446 4.480 -0.000 0.000 0.260 451 M C -1.221 175.146 176.300 0.112 0.000 1.068 451 M CA 2.911 58.285 55.300 0.124 0.000 1.082 451 M CB -1.302 31.322 32.600 0.041 0.000 1.262 451 M HN 0.352 nan 8.290 nan 0.000 0.444 452 P HA -0.061 nan 4.420 nan 0.000 0.274 452 P C 0.324 177.659 177.300 0.058 0.000 1.370 452 P CA 1.135 64.266 63.100 0.052 0.000 0.760 452 P CB -0.157 31.563 31.700 0.033 0.000 1.308 453 R N -1.165 119.394 120.500 0.098 0.000 2.635 453 R HA 0.129 4.469 4.340 -0.000 0.000 0.241 453 R C 1.991 178.212 176.300 -0.131 0.000 0.941 453 R CA 0.057 56.163 56.100 0.011 0.000 1.014 453 R CB 0.401 30.794 30.300 0.155 0.000 1.517 453 R HN 0.040 nan 8.270 nan 0.000 0.594 454 R N 1.129 121.672 120.500 0.072 0.000 2.161 454 R HA 0.048 4.388 4.340 -0.000 0.000 0.213 454 R C 0.588 176.898 176.300 0.018 0.000 1.055 454 R CA 1.307 57.453 56.100 0.076 0.000 0.996 454 R CB 0.051 30.535 30.300 0.306 0.000 0.901 454 R HN -0.007 nan 8.270 nan 0.000 0.456 455 E N 0.599 120.808 120.200 0.015 0.000 2.368 455 E HA 0.032 4.382 4.350 -0.000 0.000 0.188 455 E C -0.410 176.164 176.600 -0.043 0.000 1.061 455 E CA 0.171 56.562 56.400 -0.014 0.000 0.933 455 E CB 0.353 30.052 29.700 -0.002 0.000 1.091 455 E HN 0.301 nan 8.360 nan 0.000 0.458 456 D N 1.204 121.557 120.400 -0.079 0.000 3.100 456 D HA 0.091 4.730 4.640 -0.000 0.000 0.350 456 D C -0.384 175.805 176.300 -0.185 0.000 1.310 456 D CA -0.548 53.387 54.000 -0.109 0.000 0.741 456 D CB 0.094 40.843 40.800 -0.086 0.000 1.248 456 D HN -0.025 nan 8.370 nan 0.000 0.527 457 M N 0.426 119.918 119.600 -0.180 0.000 2.155 457 M HA -0.109 4.371 4.480 -0.000 0.000 0.560 457 M C -0.985 175.141 176.300 -0.290 0.000 1.173 457 M CA 0.604 55.778 55.300 -0.209 0.000 0.547 457 M CB -0.602 31.918 32.600 -0.133 0.000 1.907 457 M HN 0.216 nan 8.290 nan 0.000 0.591 458 L N 3.224 124.219 121.223 -0.381 0.000 2.940 458 L HA 0.395 4.735 4.340 -0.000 0.000 0.247 458 L C -0.814 175.827 176.870 -0.382 0.000 0.970 458 L CA -0.407 54.170 54.840 -0.439 0.000 1.003 458 L CB 1.272 43.107 42.059 -0.374 0.000 1.552 458 L HN 0.838 nan 8.230 nan 0.000 0.432 459 H N 2.028 121.021 119.070 -0.128 0.000 3.325 459 H HA 0.021 4.577 4.556 -0.000 0.000 0.242 459 H C -0.457 174.855 175.328 -0.028 0.000 1.117 459 H CA -0.389 55.617 56.048 -0.071 0.000 1.470 459 H CB -0.230 29.511 29.762 -0.036 0.000 1.573 459 H HN 0.464 nan 8.280 nan 0.000 0.501 460 W N 2.522 123.804 121.300 -0.031 0.000 1.595 460 W HA 0.146 4.806 4.660 -0.000 0.000 0.396 460 W C 0.738 177.179 176.519 -0.129 0.000 1.873 460 W CA -0.202 57.085 57.345 -0.097 0.000 2.073 460 W CB 0.542 29.881 29.460 -0.202 0.000 1.513 460 W HN 0.564 nan 8.180 nan 0.000 0.809 461 S N -0.890 114.851 115.700 0.069 0.000 2.543 461 S HA 0.282 4.751 4.470 -0.000 0.000 0.273 461 S C 0.556 175.093 174.600 -0.105 0.000 1.152 461 S CA -0.518 57.657 58.200 -0.041 0.000 0.910 461 S CB 1.429 64.617 63.200 -0.020 0.000 1.105 461 S HN 0.494 nan 8.310 nan 0.000 0.465 462 R N 3.680 124.119 120.500 -0.101 0.000 2.159 462 R HA -0.219 4.120 4.340 -0.000 0.000 0.252 462 R C 1.577 177.829 176.300 -0.080 0.000 1.144 462 R CA 2.649 58.700 56.100 -0.081 0.000 0.961 462 R CB -0.612 29.666 30.300 -0.036 0.000 0.877 462 R HN 0.732 nan 8.270 nan 0.000 0.444 463 K N -0.571 119.784 120.400 -0.075 0.000 2.026 463 K HA -0.056 4.263 4.320 -0.000 0.000 0.208 463 K C 2.404 178.952 176.600 -0.087 0.000 1.048 463 K CA 1.637 57.876 56.287 -0.079 0.000 0.929 463 K CB -0.082 32.366 32.500 -0.086 0.000 0.713 463 K HN 0.148 nan 8.250 nan 0.000 0.439 464 R N 0.958 121.408 120.500 -0.083 0.000 2.080 464 R HA -0.109 4.230 4.340 -0.000 0.000 0.236 464 R C 2.397 178.614 176.300 -0.138 0.000 1.137 464 R CA 1.372 57.423 56.100 -0.081 0.000 0.943 464 R CB -1.056 29.226 30.300 -0.030 0.000 0.846 464 R HN 0.233 nan 8.270 nan 0.000 0.431 465 L N 0.820 121.922 121.223 -0.201 0.000 2.079 465 L HA -0.194 4.145 4.340 -0.000 0.000 0.210 465 L C 2.603 179.390 176.870 -0.138 0.000 1.081 465 L CA 1.184 55.878 54.840 -0.244 0.000 0.752 465 L CB -0.687 41.209 42.059 -0.273 0.000 0.896 465 L HN 0.100 nan 8.230 nan 0.000 0.433 466 L N -0.340 120.828 121.223 -0.091 0.000 2.017 466 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 466 L C 2.194 179.036 176.870 -0.046 0.000 1.073 466 L CA 1.354 56.162 54.840 -0.052 0.000 0.745 466 L CB -0.614 41.420 42.059 -0.040 0.000 0.894 466 L HN 0.254 nan 8.230 nan 0.000 0.432 467 D N -1.044 119.325 120.400 -0.051 0.000 2.144 467 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 467 D C 2.304 178.570 176.300 -0.057 0.000 0.978 467 D CA 0.600 54.598 54.000 -0.003 0.000 0.833 467 D CB -0.115 40.688 40.800 0.005 0.000 0.961 467 D HN 0.123 nan 8.370 nan 0.000 0.470 468 Q N 0.353 120.077 119.800 -0.128 0.000 2.045 468 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 468 Q C 2.334 178.146 176.000 -0.314 0.000 0.991 468 Q CA 0.978 56.631 55.803 -0.251 0.000 0.851 468 Q CB -0.498 28.093 28.738 -0.246 0.000 0.911 468 Q HN 0.426 nan 8.270 nan 0.000 0.418 469 I N -0.058 120.418 120.570 -0.157 0.000 2.454 469 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 469 I C 2.149 178.225 176.117 -0.070 0.000 1.156 469 I CA 0.935 62.185 61.300 -0.083 0.000 1.433 469 I CB -0.552 37.440 38.000 -0.013 0.000 1.082 469 I HN 0.069 nan 8.210 nan 0.000 0.432 470 A N 1.055 123.843 122.820 -0.053 0.000 1.840 470 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 470 A C 2.354 179.919 177.584 -0.032 0.000 1.198 470 A CA 1.457 53.498 52.037 0.006 0.000 0.608 470 A CB -0.978 18.063 19.000 0.067 0.000 0.839 470 A HN 0.206 nan 8.150 nan 0.000 0.443 471 V N 0.456 120.313 119.914 -0.094 0.000 2.660 471 V HA -0.276 3.844 4.120 -0.000 0.000 0.257 471 V C 2.887 178.891 176.094 -0.150 0.000 1.088 471 V CA 1.743 63.968 62.300 -0.125 0.000 1.106 471 V CB -1.721 29.958 31.823 -0.240 0.000 0.686 471 V HN 0.614 nan 8.190 nan 0.000 0.481 472 A N 0.752 123.385 122.820 -0.312 0.000 1.841 472 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 472 A C 2.108 179.688 177.584 -0.007 0.000 1.199 472 A CA 2.121 54.062 52.037 -0.160 0.000 0.621 472 A CB -0.627 18.322 19.000 -0.086 0.000 0.835 472 A HN 0.530 nan 8.150 nan 0.000 0.445 473 L N -0.461 120.710 121.223 -0.086 0.000 2.552 473 L HA 0.001 4.341 4.340 -0.000 0.000 0.227 473 L C 2.796 179.564 176.870 -0.169 0.000 1.146 473 L CA 0.412 55.128 54.840 -0.206 0.000 0.858 473 L CB -0.566 41.412 42.059 -0.135 0.000 0.969 473 L HN 0.433 nan 8.230 nan 0.000 0.451 474 A N 1.105 123.873 122.820 -0.086 0.000 1.971 474 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 474 A C 2.429 179.781 177.584 -0.385 0.000 1.182 474 A CA 2.127 54.075 52.037 -0.148 0.000 0.649 474 A CB -1.219 17.719 19.000 -0.103 0.000 0.818 474 A HN 0.462 nan 8.150 nan 0.000 0.458 475 G N -0.643 107.778 108.800 -0.633 0.000 2.433 475 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 475 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 475 G C 1.654 175.935 174.900 -1.032 0.000 1.186 475 G CA 1.341 45.829 45.100 -1.019 0.000 0.779 475 G HN 0.568 nan 8.290 nan 0.000 0.543 476 R N 1.304 121.459 120.500 -0.575 0.000 2.126 476 R HA 0.074 4.414 4.340 -0.000 0.000 0.224 476 R C 2.778 178.989 176.300 -0.148 0.000 1.128 476 R CA 2.135 58.044 56.100 -0.317 0.000 0.895 476 R CB -1.441 28.666 30.300 -0.322 0.000 0.817 476 R HN 0.343 nan 8.270 nan 0.000 0.435 477 A N 0.562 123.404 122.820 0.036 0.000 1.883 477 A HA -0.377 3.942 4.320 -0.000 0.000 0.269 477 A C 2.342 179.971 177.584 0.074 0.000 2.559 477 A CA 4.060 56.252 52.037 0.260 0.000 0.908 477 A CB -1.922 17.222 19.000 0.240 0.000 0.807 477 A HN 0.877 nan 8.150 nan 0.000 0.505 478 A N -0.157 122.649 122.820 -0.024 0.000 1.906 478 A HA -0.421 3.899 4.320 -0.000 0.000 0.236 478 A C 2.010 179.630 177.584 0.060 0.000 1.793 478 A CA 3.767 55.809 52.037 0.008 0.000 0.813 478 A CB -1.465 17.502 19.000 -0.056 0.000 0.841 478 A HN 1.101 nan 8.150 nan 0.000 0.491 479 E N -0.595 119.626 120.200 0.035 0.000 2.051 479 E HA -0.275 4.075 4.350 -0.000 0.000 0.192 479 E C 1.877 178.562 176.600 0.142 0.000 0.991 479 E CA 1.569 58.050 56.400 0.134 0.000 0.799 479 E CB -0.516 29.193 29.700 0.014 0.000 0.748 479 E HN 0.710 nan 8.360 nan 0.000 0.449 480 E N 1.239 121.506 120.200 0.113 0.000 2.172 480 E HA -0.264 4.086 4.350 -0.000 0.000 0.213 480 E C 1.756 178.413 176.600 0.095 0.000 1.051 480 E CA 2.484 58.964 56.400 0.133 0.000 0.860 480 E CB -0.284 29.540 29.700 0.206 0.000 0.755 480 E HN 0.517 nan 8.360 nan 0.000 0.462 481 I N -0.989 119.623 120.570 0.071 0.000 2.479 481 I HA -0.197 3.973 4.170 -0.000 0.000 0.226 481 I C 2.312 178.421 176.117 -0.014 0.000 1.060 481 I CA 0.796 62.110 61.300 0.024 0.000 1.380 481 I CB -0.716 37.293 38.000 0.015 0.000 1.192 481 I HN 0.008 nan 8.210 nan 0.000 0.411 482 V N 0.467 120.339 119.914 -0.069 0.000 2.250 482 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 482 V C 1.129 177.071 176.094 -0.253 0.000 1.060 482 V CA 1.572 63.718 62.300 -0.257 0.000 1.030 482 V CB -0.497 30.939 31.823 -0.644 0.000 0.643 482 V HN 0.118 nan 8.190 nan 0.000 0.445 483 F N 0.053 119.891 119.950 -0.186 0.000 2.399 483 F HA 0.153 4.680 4.527 -0.000 0.000 0.313 483 F C 1.174 176.937 175.800 -0.061 0.000 1.202 483 F CA -0.001 57.924 58.000 -0.125 0.000 1.192 483 F CB 0.175 39.132 39.000 -0.071 0.000 1.256 483 F HN -0.032 nan 8.300 nan 0.000 0.558 484 D N 1.248 121.798 120.400 0.250 0.000 2.486 484 D HA -0.143 4.497 4.640 -0.000 0.000 0.264 484 D C 0.574 176.943 176.300 0.115 0.000 1.305 484 D CA 1.074 55.153 54.000 0.131 0.000 0.986 484 D CB -0.661 40.233 40.800 0.157 0.000 0.980 484 D HN 0.420 nan 8.370 nan 0.000 0.492 485 D N -1.035 119.434 120.400 0.115 0.000 3.068 485 D HA -0.207 4.433 4.640 -0.000 0.000 0.219 485 D C -0.353 175.996 176.300 0.083 0.000 1.175 485 D CA 0.785 54.835 54.000 0.083 0.000 0.942 485 D CB -0.519 40.309 40.800 0.047 0.000 1.127 485 D HN 0.216 nan 8.370 nan 0.000 0.404 486 V N -1.682 118.292 119.914 0.101 0.000 2.850 486 V HA 0.660 4.779 4.120 -0.000 0.000 0.315 486 V C 0.660 176.796 176.094 0.069 0.000 1.064 486 V CA -0.619 61.727 62.300 0.077 0.000 0.979 486 V CB 2.051 33.911 31.823 0.062 0.000 1.039 486 V HN -0.062 nan 8.190 nan 0.000 0.452 487 T N 1.376 115.960 114.554 0.050 0.000 2.779 487 T HA 0.390 4.740 4.350 -0.000 0.000 0.280 487 T C -0.006 174.708 174.700 0.024 0.000 0.987 487 T CA -0.126 62.001 62.100 0.046 0.000 0.966 487 T CB 1.333 70.242 68.868 0.068 0.000 0.933 487 T HN 0.923 nan 8.240 nan 0.000 0.442 488 T N 2.175 116.733 114.554 0.005 0.000 2.869 488 T HA 0.413 4.762 4.350 -0.000 0.000 0.295 488 T C 1.144 175.865 174.700 0.035 0.000 0.987 488 T CA -0.468 61.626 62.100 -0.010 0.000 1.109 488 T CB 0.234 69.061 68.868 -0.068 0.000 0.932 488 T HN 0.717 nan 8.240 nan 0.000 0.518 489 G N 3.543 112.356 108.800 0.021 0.000 2.843 489 G HA2 0.448 4.408 3.960 -0.000 0.000 0.275 489 G HA3 0.448 4.408 3.960 -0.000 0.000 0.275 489 G C 0.193 175.119 174.900 0.044 0.000 0.709 489 G CA -0.189 44.933 45.100 0.038 0.000 2.089 489 G HN 0.923 nan 8.290 nan 0.000 0.571 490 A N 2.209 125.084 122.820 0.092 0.000 2.664 490 A HA 0.553 4.872 4.320 -0.000 0.000 0.338 490 A C 0.896 178.583 177.584 0.172 0.000 1.280 490 A CA -0.599 51.469 52.037 0.052 0.000 0.809 490 A CB 0.541 19.461 19.000 -0.133 0.000 1.114 490 A HN 0.638 nan 8.150 nan 0.000 0.479 491 E N 1.558 121.861 120.200 0.172 0.000 2.065 491 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 491 E C 1.289 178.036 176.600 0.244 0.000 0.960 491 E CA 0.568 57.153 56.400 0.309 0.000 0.824 491 E CB -0.329 29.482 29.700 0.185 0.000 0.793 491 E HN 0.562 nan 8.360 nan 0.000 0.459 492 N N 1.753 120.524 118.700 0.119 0.000 2.225 492 N HA -0.282 4.458 4.740 -0.000 0.000 0.198 492 N C 1.233 176.787 175.510 0.072 0.000 0.959 492 N CA 2.414 55.505 53.050 0.068 0.000 0.915 492 N CB -0.300 38.193 38.487 0.009 0.000 1.072 492 N HN 0.188 nan 8.380 nan 0.000 0.620 493 D N -0.375 120.059 120.400 0.056 0.000 2.303 493 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 493 D C 1.819 178.128 176.300 0.015 0.000 1.011 493 D CA 1.511 55.535 54.000 0.041 0.000 0.860 493 D CB -0.905 39.873 40.800 -0.037 0.000 0.961 493 D HN 0.345 nan 8.370 nan 0.000 0.453 494 F N 0.695 120.696 119.950 0.085 0.000 2.063 494 F HA -0.211 4.315 4.527 -0.000 0.000 0.298 494 F C 2.704 178.534 175.800 0.051 0.000 1.109 494 F CA 1.383 59.409 58.000 0.044 0.000 1.212 494 F CB -0.401 38.603 39.000 0.008 0.000 0.973 494 F HN -0.102 nan 8.300 nan 0.000 0.480 495 R N 0.791 121.433 120.500 0.236 0.000 2.115 495 R HA -0.256 4.083 4.340 -0.000 0.000 0.239 495 R C 2.192 178.558 176.300 0.111 0.000 1.133 495 R CA 2.307 58.487 56.100 0.134 0.000 0.935 495 R CB -0.859 29.493 30.300 0.087 0.000 0.853 495 R HN 0.384 nan 8.270 nan 0.000 0.433 496 Q N -0.565 119.293 119.800 0.097 0.000 2.047 496 Q HA -0.238 4.102 4.340 -0.000 0.000 0.211 496 Q C 2.113 178.219 176.000 0.177 0.000 1.005 496 Q CA 2.747 58.614 55.803 0.106 0.000 0.866 496 Q CB -0.320 28.453 28.738 0.058 0.000 0.938 496 Q HN 0.523 nan 8.270 nan 0.000 0.414 497 A N -0.284 122.651 122.820 0.193 0.000 1.892 497 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 497 A C 2.225 179.883 177.584 0.122 0.000 1.188 497 A CA 2.221 54.346 52.037 0.147 0.000 0.631 497 A CB -1.026 18.043 19.000 0.114 0.000 0.822 497 A HN 0.454 nan 8.150 nan 0.000 0.447 498 T N -0.878 113.750 114.554 0.123 0.000 2.812 498 T HA -0.083 4.267 4.350 -0.000 0.000 0.264 498 T C 1.905 176.645 174.700 0.067 0.000 1.042 498 T CA 1.138 63.294 62.100 0.094 0.000 1.140 498 T CB -0.186 68.737 68.868 0.092 0.000 0.870 498 T HN 0.541 nan 8.240 nan 0.000 0.445 499 E N 1.086 121.325 120.200 0.065 0.000 2.051 499 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 499 E C 2.194 178.810 176.600 0.027 0.000 0.991 499 E CA 0.743 57.165 56.400 0.036 0.000 0.799 499 E CB -0.270 29.454 29.700 0.040 0.000 0.748 499 E HN 0.324 nan 8.360 nan 0.000 0.449 500 L N 0.103 121.375 121.223 0.082 0.000 2.187 500 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 500 L C 2.028 179.001 176.870 0.172 0.000 1.100 500 L CA 1.574 56.500 54.840 0.143 0.000 0.765 500 L CB -0.426 41.714 42.059 0.135 0.000 0.904 500 L HN 0.108 nan 8.230 nan 0.000 0.437 501 A N -0.530 122.352 122.820 0.104 0.000 2.288 501 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 501 A C 1.960 179.580 177.584 0.060 0.000 1.199 501 A CA -0.135 51.964 52.037 0.103 0.000 0.891 501 A CB -0.038 19.011 19.000 0.082 0.000 0.923 501 A HN 0.443 nan 8.150 nan 0.000 0.500 502 R N -0.322 120.187 120.500 0.016 0.000 2.153 502 R HA 0.179 4.519 4.340 -0.000 0.000 0.218 502 R C 1.959 178.212 176.300 -0.078 0.000 1.072 502 R CA 0.498 56.587 56.100 -0.019 0.000 0.990 502 R CB -0.279 30.004 30.300 -0.028 0.000 0.889 502 R HN 0.192 nan 8.270 nan 0.000 0.452 503 R N 0.707 121.101 120.500 -0.177 0.000 2.080 503 R HA -0.040 4.300 4.340 -0.000 0.000 0.236 503 R C 2.130 178.339 176.300 -0.152 0.000 1.137 503 R CA 1.539 57.322 56.100 -0.528 0.000 0.943 503 R CB -0.395 29.200 30.300 -1.175 0.000 0.846 503 R HN 0.229 nan 8.270 nan 0.000 0.431 504 M N 0.168 119.922 119.600 0.256 0.000 2.152 504 M HA -0.261 4.219 4.480 -0.000 0.000 0.251 504 M C 2.274 178.748 176.300 0.290 0.000 1.080 504 M CA 1.783 57.351 55.300 0.446 0.000 1.079 504 M CB -0.768 31.978 32.600 0.243 0.000 1.317 504 M HN 0.117 nan 8.290 nan 0.000 0.404 505 I N -1.457 119.211 120.570 0.164 0.000 2.385 505 I HA -0.169 4.001 4.170 -0.000 0.000 0.244 505 I C 2.318 178.555 176.117 0.199 0.000 1.089 505 I CA 1.431 62.839 61.300 0.181 0.000 1.410 505 I CB -0.180 37.930 38.000 0.184 0.000 1.117 505 I HN 0.371 nan 8.210 nan 0.000 0.429 506 T N -2.564 112.044 114.554 0.090 0.000 2.898 506 T HA 0.007 4.357 4.350 -0.000 0.000 0.241 506 T C 1.782 176.586 174.700 0.173 0.000 1.024 506 T CA 0.406 62.570 62.100 0.106 0.000 1.174 506 T CB -0.355 68.500 68.868 -0.021 0.000 0.873 506 T HN 0.103 nan 8.240 nan 0.000 0.422 507 E N -0.454 119.746 120.200 -0.001 0.000 2.076 507 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 507 E C 0.238 176.852 176.600 0.022 0.000 0.979 507 E CA 0.513 56.865 56.400 -0.080 0.000 0.807 507 E CB 0.185 29.694 29.700 -0.320 0.000 0.761 507 E HN 0.458 nan 8.360 nan 0.000 0.454 508 W N 0.405 121.789 121.300 0.140 0.000 2.116 508 W HA 0.467 5.127 4.660 0.000 0.000 0.374 508 W C 0.683 177.287 176.519 0.141 0.000 1.445 508 W CA -0.633 56.794 57.345 0.136 0.000 1.582 508 W CB -0.248 29.293 29.460 0.136 0.000 1.263 508 W HN -0.075 nan 8.180 nan 0.000 0.683 509 G N 2.058 111.093 108.800 0.393 0.000 2.603 509 G HA2 0.587 4.547 3.960 -0.000 0.000 0.324 509 G HA3 0.587 4.547 3.960 -0.000 0.000 0.324 509 G C -0.787 174.268 174.900 0.259 0.000 1.178 509 G CA -0.655 44.611 45.100 0.276 0.000 1.023 509 G HN 0.126 nan 8.290 nan 0.000 0.482 510 M N 2.021 121.766 119.600 0.241 0.000 2.204 510 M HA 0.224 4.704 4.480 -0.000 0.000 0.293 510 M C -0.858 175.533 176.300 0.152 0.000 0.994 510 M CA -0.741 54.671 55.300 0.187 0.000 0.925 510 M CB 2.532 35.231 32.600 0.165 0.000 1.577 510 M HN 0.640 nan 8.290 nan 0.000 0.439 511 H N 2.333 121.442 119.070 0.065 0.000 2.820 511 H HA 0.237 4.793 4.556 -0.000 0.000 0.291 511 H C -1.885 173.438 175.328 -0.009 0.000 1.412 511 H CA -0.864 55.216 56.048 0.052 0.000 1.176 511 H CB -0.249 29.542 29.762 0.048 0.000 1.467 511 H HN 0.387 nan 8.280 nan 0.000 0.517 512 P HA -0.215 nan 4.420 nan 0.000 0.284 512 P C 1.048 178.282 177.300 -0.110 0.000 1.592 512 P CA 0.585 63.581 63.100 -0.174 0.000 1.265 512 P CB 0.714 32.129 31.700 -0.475 0.000 0.876 513 E N -1.276 118.802 120.200 -0.203 0.000 2.219 513 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 513 E C 0.224 176.863 176.600 0.065 0.000 0.998 513 E CA 0.956 57.299 56.400 -0.095 0.000 0.818 513 E CB -0.408 29.212 29.700 -0.134 0.000 0.741 513 E HN 0.380 nan 8.360 nan 0.000 0.477 514 F N 0.110 120.034 119.950 -0.044 0.000 2.396 514 F HA 0.337 4.864 4.527 -0.000 0.000 0.343 514 F C 1.484 177.235 175.800 -0.081 0.000 1.104 514 F CA -1.130 56.868 58.000 -0.004 0.000 1.161 514 F CB 0.831 39.745 39.000 -0.144 0.000 1.146 514 F HN -0.086 nan 8.300 nan 0.000 0.522 515 G N 1.982 110.836 108.800 0.089 0.000 2.873 515 G HA2 0.219 4.179 3.960 -0.000 0.000 0.170 515 G HA3 0.219 4.179 3.960 -0.000 0.000 0.170 515 G C -2.244 172.397 174.900 -0.431 0.000 1.608 515 G CA -0.609 44.214 45.100 -0.463 0.000 1.084 515 G HN 0.468 nan 8.290 nan 0.000 0.563 516 P HA 0.279 nan 4.420 nan 0.000 0.221 516 P C -0.380 176.942 177.300 0.037 0.000 1.854 516 P CA -0.279 62.854 63.100 0.056 0.000 0.985 516 P CB 0.230 32.040 31.700 0.184 0.000 1.711 517 V N -1.374 118.539 119.914 -0.003 0.000 2.837 517 V HA 0.807 4.927 4.120 -0.000 0.000 0.310 517 V C 0.542 176.547 176.094 -0.149 0.000 1.059 517 V CA -1.339 60.851 62.300 -0.184 0.000 1.004 517 V CB 1.445 32.946 31.823 -0.538 0.000 1.045 517 V HN 0.182 nan 8.190 nan 0.000 0.465 518 A N 1.916 124.609 122.820 -0.211 0.000 2.654 518 A HA 0.631 4.951 4.320 -0.000 0.000 0.345 518 A C -0.480 177.083 177.584 -0.036 0.000 1.368 518 A CA -0.428 51.587 52.037 -0.037 0.000 0.895 518 A CB -0.438 18.558 19.000 -0.007 0.000 1.143 518 A HN 0.797 nan 8.150 nan 0.000 0.490 519 Y N 0.714 121.039 120.300 0.043 0.000 2.547 519 Y HA 0.526 5.076 4.550 -0.000 0.000 0.325 519 Y C 0.953 176.954 175.900 0.168 0.000 1.165 519 Y CA 0.016 58.182 58.100 0.110 0.000 1.300 519 Y CB -0.430 38.059 38.460 0.048 0.000 1.126 519 Y HN 0.730 nan 8.280 nan 0.000 0.513 520 A N -0.667 122.270 122.820 0.195 0.000 2.586 520 A HA 0.738 5.058 4.320 -0.000 0.000 0.291 520 A C -1.117 176.499 177.584 0.055 0.000 1.062 520 A CA -0.571 51.541 52.037 0.125 0.000 0.666 520 A CB 0.702 19.769 19.000 0.112 0.000 1.281 520 A HN 0.195 nan 8.150 nan 0.000 0.421 521 V N -0.281 119.651 119.914 0.029 0.000 2.886 521 V HA 0.311 4.431 4.120 -0.000 0.000 0.368 521 V C 0.347 176.445 176.094 0.005 0.000 1.313 521 V CA 0.026 62.335 62.300 0.016 0.000 1.491 521 V CB 0.015 31.846 31.823 0.012 0.000 1.345 521 V HN 1.153 nan 8.190 nan 0.000 0.646 522 R N 1.539 122.037 120.500 -0.004 0.000 2.730 522 R HA -0.015 4.325 4.340 -0.000 0.000 0.327 522 R C -0.275 176.018 176.300 -0.012 0.000 0.825 522 R CA 0.673 56.770 56.100 -0.005 0.000 1.130 522 R CB 0.372 30.665 30.300 -0.012 0.000 0.883 522 R HN 0.685 nan 8.270 nan 0.000 0.407 523 E N 3.675 123.859 120.200 -0.026 0.000 2.345 523 E HA 0.087 4.437 4.350 -0.000 0.000 0.259 523 E C -0.633 175.900 176.600 -0.111 0.000 1.117 523 E CA -0.431 55.933 56.400 -0.061 0.000 0.913 523 E CB 0.797 30.455 29.700 -0.070 0.000 1.057 523 E HN 0.689 nan 8.360 nan 0.000 0.432 524 D N 0.062 120.388 120.400 -0.123 0.000 3.256 524 D HA 0.131 4.771 4.640 -0.000 0.000 0.332 524 D C -0.829 175.377 176.300 -0.157 0.000 1.327 524 D CA -0.260 53.651 54.000 -0.148 0.000 0.735 524 D CB 0.445 41.191 40.800 -0.090 0.000 1.280 524 D HN 0.098 nan 8.370 nan 0.000 0.572 525 T N -0.974 113.468 114.554 -0.187 0.000 2.770 525 T HA 0.101 4.451 4.350 -0.000 0.000 0.281 525 T C 0.615 175.252 174.700 -0.105 0.000 0.981 525 T CA -0.302 61.734 62.100 -0.107 0.000 0.955 525 T CB 1.043 69.860 68.868 -0.085 0.000 1.060 525 T HN 0.157 nan 8.240 nan 0.000 0.531 526 Y N -0.713 119.538 120.300 -0.082 0.000 2.475 526 Y HA 0.259 4.809 4.550 -0.000 0.000 0.289 526 Y C 1.787 177.659 175.900 -0.046 0.000 1.121 526 Y CA 0.895 58.961 58.100 -0.057 0.000 1.257 526 Y CB 0.164 38.601 38.460 -0.040 0.000 1.026 526 Y HN 0.345 nan 8.280 nan 0.000 0.555 527 L N -2.616 118.668 121.223 0.102 0.000 2.694 527 L HA 0.332 4.671 4.340 -0.000 0.000 0.228 527 L C 1.441 178.337 176.870 0.043 0.000 1.048 527 L CA 0.237 55.123 54.840 0.077 0.000 0.887 527 L CB -0.005 42.102 42.059 0.081 0.000 1.265 527 L HN 0.028 nan 8.230 nan 0.000 0.492 528 G N -0.822 107.960 108.800 -0.029 0.000 2.606 528 G HA2 0.498 4.457 3.960 -0.000 0.000 0.262 528 G HA3 0.498 4.457 3.960 -0.000 0.000 0.262 528 G C -0.144 174.367 174.900 -0.648 0.000 1.394 528 G CA 0.066 45.070 45.100 -0.160 0.000 1.044 528 G HN 0.232 nan 8.290 nan 0.000 0.553 529 G N -1.584 106.566 108.800 -1.083 0.000 2.459 529 G HA2 0.414 4.374 3.960 -0.000 0.000 0.273 529 G HA3 0.414 4.374 3.960 -0.000 0.000 0.273 529 G C -0.897 173.325 174.900 -1.130 0.000 1.070 529 G CA -0.287 44.280 45.100 -0.888 0.000 1.287 529 G HN 1.220 nan 8.290 nan 0.000 0.642 530 Y N -0.930 119.363 120.300 -0.012 0.000 2.604 530 Y HA 0.579 5.129 4.550 -0.000 0.000 0.331 530 Y C -0.376 175.516 175.900 -0.013 0.000 1.158 530 Y CA -1.673 56.419 58.100 -0.013 0.000 1.056 530 Y CB 0.846 39.297 38.460 -0.016 0.000 1.330 530 Y HN 0.204 nan 8.280 nan 0.000 0.457 531 D N 1.759 122.245 120.400 0.143 0.000 2.390 531 D HA 0.492 5.132 4.640 -0.000 0.000 0.249 531 D C -0.778 175.558 176.300 0.060 0.000 1.144 531 D CA 0.545 54.587 54.000 0.070 0.000 0.880 531 D CB 1.258 42.081 40.800 0.038 0.000 1.182 531 D HN 0.481 nan 8.370 nan 0.000 0.451 532 V N 2.997 122.932 119.914 0.035 0.000 3.258 532 V HA 0.687 4.807 4.120 -0.000 0.000 0.299 532 V C -0.529 175.561 176.094 -0.007 0.000 1.376 532 V CA -1.165 61.140 62.300 0.009 0.000 1.063 532 V CB 2.386 34.208 31.823 -0.001 0.000 1.103 532 V HN 0.796 nan 8.190 nan 0.000 0.451 533 R N 0.623 121.094 120.500 -0.048 0.000 2.824 533 R HA 0.527 4.867 4.340 -0.000 0.000 0.267 533 R C -2.393 173.773 176.300 -0.223 0.000 1.035 533 R CA -0.902 55.160 56.100 -0.063 0.000 0.887 533 R CB 1.707 32.031 30.300 0.040 0.000 1.262 533 R HN 0.621 nan 8.270 nan 0.000 0.487 534 Q N 2.463 122.150 119.800 -0.189 0.000 2.290 534 Q HA 0.354 4.693 4.340 -0.000 0.000 0.269 534 Q C -0.996 174.914 176.000 -0.150 0.000 1.016 534 Q CA -0.566 55.062 55.803 -0.291 0.000 0.754 534 Q CB 1.423 30.067 28.738 -0.158 0.000 1.247 534 Q HN 0.785 nan 8.270 nan 0.000 0.451 535 Y N -0.088 120.230 120.300 0.029 0.000 3.246 535 Y HA 0.772 5.322 4.550 -0.000 0.000 0.313 535 Y C 0.366 176.273 175.900 0.012 0.000 1.468 535 Y CA -0.796 57.335 58.100 0.053 0.000 0.824 535 Y CB 0.192 38.696 38.460 0.074 0.000 1.144 535 Y HN 0.521 nan 8.280 nan 0.000 0.790 536 S N -1.090 114.738 115.700 0.214 0.000 2.579 536 S HA 0.199 4.668 4.470 -0.000 0.000 0.290 536 S C -0.067 174.600 174.600 0.113 0.000 1.123 536 S CA -0.726 57.526 58.200 0.087 0.000 0.894 536 S CB 1.696 64.934 63.200 0.064 0.000 1.095 536 S HN 0.496 nan 8.310 nan 0.000 0.450 537 E N 1.703 121.941 120.200 0.063 0.000 2.196 537 E HA -0.274 4.075 4.350 -0.000 0.000 0.222 537 E C 1.552 178.188 176.600 0.061 0.000 1.072 537 E CA 2.532 58.970 56.400 0.062 0.000 0.902 537 E CB -0.342 29.377 29.700 0.032 0.000 0.780 537 E HN 0.869 nan 8.360 nan 0.000 0.467 538 E N -0.627 119.600 120.200 0.045 0.000 2.038 538 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 538 E C 1.896 178.500 176.600 0.008 0.000 1.000 538 E CA 2.472 58.889 56.400 0.028 0.000 0.803 538 E CB -0.527 29.190 29.700 0.027 0.000 0.750 538 E HN 0.368 nan 8.360 nan 0.000 0.448 539 T N -0.497 114.063 114.554 0.010 0.000 2.996 539 T HA -0.103 4.247 4.350 -0.000 0.000 0.271 539 T C 1.758 176.324 174.700 -0.223 0.000 1.126 539 T CA 0.997 63.033 62.100 -0.106 0.000 1.103 539 T CB -0.348 68.509 68.868 -0.018 0.000 0.870 539 T HN 0.293 nan 8.240 nan 0.000 0.528 540 A N 1.838 124.639 122.820 -0.030 0.000 1.874 540 A HA 0.081 4.401 4.320 -0.000 0.000 0.214 540 A C 2.316 179.871 177.584 -0.047 0.000 1.189 540 A CA 1.263 53.291 52.037 -0.016 0.000 0.615 540 A CB -0.473 18.625 19.000 0.164 0.000 0.830 540 A HN 0.428 nan 8.150 nan 0.000 0.443 541 K N -0.690 119.704 120.400 -0.010 0.000 2.057 541 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 541 K C 2.294 178.898 176.600 0.006 0.000 1.049 541 K CA 1.490 57.779 56.287 0.003 0.000 0.931 541 K CB -0.148 32.360 32.500 0.014 0.000 0.714 541 K HN 0.207 nan 8.250 nan 0.000 0.440 542 R N 1.514 122.007 120.500 -0.012 0.000 2.097 542 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 542 R C 2.135 178.512 176.300 0.130 0.000 1.135 542 R CA 1.891 58.017 56.100 0.044 0.000 0.934 542 R CB -0.859 29.413 30.300 -0.047 0.000 0.846 542 R HN 0.319 nan 8.270 nan 0.000 0.431 543 I N 0.523 121.013 120.570 -0.134 0.000 2.208 543 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 543 I C 1.744 177.881 176.117 0.032 0.000 1.097 543 I CA 1.474 62.740 61.300 -0.056 0.000 1.363 543 I CB -0.600 37.183 38.000 -0.361 0.000 1.051 543 I HN 0.236 nan 8.210 nan 0.000 0.413 544 D N 1.105 121.500 120.400 -0.007 0.000 2.095 544 D HA -0.200 4.440 4.640 -0.000 0.000 0.192 544 D C 2.037 178.352 176.300 0.026 0.000 0.990 544 D CA 1.475 55.481 54.000 0.010 0.000 0.836 544 D CB -0.322 40.482 40.800 0.007 0.000 0.979 544 D HN 0.310 nan 8.370 nan 0.000 0.447 545 E N 0.484 120.703 120.200 0.031 0.000 2.086 545 E HA -0.268 4.082 4.350 -0.000 0.000 0.205 545 E C 2.038 178.647 176.600 0.016 0.000 1.027 545 E CA 1.606 58.020 56.400 0.024 0.000 0.830 545 E CB -0.186 29.531 29.700 0.028 0.000 0.751 545 E HN 0.254 nan 8.360 nan 0.000 0.456 546 A N 0.379 123.213 122.820 0.024 0.000 1.884 546 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 546 A C 2.454 180.025 177.584 -0.021 0.000 1.197 546 A CA 1.983 53.996 52.037 -0.039 0.000 0.637 546 A CB -0.829 18.127 19.000 -0.074 0.000 0.827 546 A HN 0.195 nan 8.150 nan 0.000 0.450 547 V N -0.353 119.569 119.914 0.013 0.000 2.871 547 V HA -0.118 4.002 4.120 -0.000 0.000 0.256 547 V C 2.604 178.715 176.094 0.028 0.000 1.082 547 V CA 1.480 63.793 62.300 0.021 0.000 1.105 547 V CB -0.810 31.030 31.823 0.030 0.000 0.713 547 V HN 0.456 nan 8.190 nan 0.000 0.473 548 R N 1.078 121.592 120.500 0.023 0.000 2.070 548 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 548 R C 2.530 178.848 176.300 0.031 0.000 1.138 548 R CA 1.860 57.977 56.100 0.029 0.000 0.936 548 R CB -0.412 29.900 30.300 0.021 0.000 0.839 548 R HN 0.515 nan 8.270 nan 0.000 0.429 549 R N 0.545 121.053 120.500 0.012 0.000 2.115 549 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 549 R C 2.552 178.861 176.300 0.015 0.000 1.133 549 R CA 1.908 58.011 56.100 0.005 0.000 0.935 549 R CB -1.042 29.246 30.300 -0.020 0.000 0.853 549 R HN 0.211 nan 8.270 nan 0.000 0.433 550 L N 0.651 121.877 121.223 0.004 0.000 1.956 550 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 550 L C 2.507 179.407 176.870 0.050 0.000 1.073 550 L CA 1.763 56.612 54.840 0.015 0.000 0.762 550 L CB -0.260 41.803 42.059 0.007 0.000 0.889 550 L HN 0.238 nan 8.230 nan 0.000 0.433 551 I N -0.390 120.222 120.570 0.070 0.000 2.226 551 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 551 I C 2.451 178.659 176.117 0.151 0.000 1.100 551 I CA 1.140 62.506 61.300 0.110 0.000 1.374 551 I CB -0.125 37.949 38.000 0.124 0.000 1.057 551 I HN 0.316 nan 8.210 nan 0.000 0.413 552 E N 1.215 121.493 120.200 0.129 0.000 2.033 552 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 552 E C 2.014 178.697 176.600 0.139 0.000 1.011 552 E CA 2.177 58.673 56.400 0.161 0.000 0.815 552 E CB -0.223 29.538 29.700 0.102 0.000 0.755 552 E HN 0.618 nan 8.360 nan 0.000 0.451 553 E N -0.375 119.871 120.200 0.077 0.000 2.110 553 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 553 E C 2.149 178.777 176.600 0.047 0.000 0.988 553 E CA 1.334 57.758 56.400 0.040 0.000 0.804 553 E CB -0.280 29.431 29.700 0.018 0.000 0.745 553 E HN 0.161 nan 8.360 nan 0.000 0.458 554 Q N -0.229 119.615 119.800 0.074 0.000 2.167 554 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 554 Q C 1.750 177.835 176.000 0.142 0.000 0.970 554 Q CA 1.492 57.344 55.803 0.082 0.000 0.855 554 Q CB -0.465 28.317 28.738 0.074 0.000 0.911 554 Q HN 0.583 nan 8.270 nan 0.000 0.438 555 Y N 0.171 120.491 120.300 0.034 0.000 2.220 555 Y HA -0.127 4.422 4.550 -0.000 0.000 0.291 555 Y C 1.871 177.788 175.900 0.029 0.000 1.129 555 Y CA 1.593 59.716 58.100 0.038 0.000 1.161 555 Y CB -0.400 38.103 38.460 0.072 0.000 0.997 555 Y HN 0.091 nan 8.280 nan 0.000 0.522 556 Q N 0.914 120.610 119.800 -0.174 0.000 2.096 556 Q HA -0.275 4.065 4.340 -0.000 0.000 0.208 556 Q C 2.459 178.380 176.000 -0.133 0.000 0.993 556 Q CA 2.052 57.698 55.803 -0.262 0.000 0.862 556 Q CB -0.574 28.076 28.738 -0.148 0.000 0.915 556 Q HN 0.532 nan 8.270 nan 0.000 0.416 557 R N -0.279 120.197 120.500 -0.039 0.000 2.136 557 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 557 R C 2.167 178.480 176.300 0.022 0.000 1.131 557 R CA 2.165 58.268 56.100 0.005 0.000 0.937 557 R CB -0.179 30.143 30.300 0.037 0.000 0.863 557 R HN 0.190 nan 8.270 nan 0.000 0.435 558 V N 0.301 120.247 119.914 0.052 0.000 3.041 558 V HA -0.098 4.022 4.120 -0.000 0.000 0.260 558 V C 2.127 178.246 176.094 0.041 0.000 1.105 558 V CA 1.431 63.776 62.300 0.075 0.000 1.125 558 V CB -0.486 31.403 31.823 0.110 0.000 0.730 558 V HN 0.308 nan 8.190 nan 0.000 0.479 559 K N 1.287 121.665 120.400 -0.036 0.000 1.984 559 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 559 K C 2.331 178.909 176.600 -0.036 0.000 1.046 559 K CA 1.605 57.847 56.287 -0.074 0.000 0.934 559 K CB -0.542 31.816 32.500 -0.237 0.000 0.717 559 K HN 0.380 nan 8.250 nan 0.000 0.438 560 A N 1.262 124.056 122.820 -0.043 0.000 1.859 560 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 560 A C 2.182 179.770 177.584 0.006 0.000 1.198 560 A CA 1.961 53.986 52.037 -0.020 0.000 0.629 560 A CB -1.009 17.980 19.000 -0.018 0.000 0.830 560 A HN 0.435 nan 8.150 nan 0.000 0.446 561 L N -0.692 120.547 121.223 0.027 0.000 2.127 561 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 561 L C 2.365 179.254 176.870 0.030 0.000 1.089 561 L CA 1.392 56.261 54.840 0.048 0.000 0.757 561 L CB -0.147 41.969 42.059 0.095 0.000 0.899 561 L HN 0.460 nan 8.230 nan 0.000 0.434 562 L N -2.050 119.186 121.223 0.022 0.000 2.007 562 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 562 L C 2.386 179.271 176.870 0.025 0.000 1.073 562 L CA 0.471 55.326 54.840 0.025 0.000 0.744 562 L CB -0.592 41.483 42.059 0.027 0.000 0.898 562 L HN 0.240 nan 8.230 nan 0.000 0.435 563 L N 0.512 121.743 121.223 0.014 0.000 1.976 563 L HA -0.338 4.002 4.340 -0.000 0.000 0.223 563 L C 2.579 179.455 176.870 0.010 0.000 1.081 563 L CA 2.009 56.853 54.840 0.007 0.000 0.784 563 L CB -1.173 40.882 42.059 -0.007 0.000 0.896 563 L HN 0.400 nan 8.230 nan 0.000 0.438 564 E N -0.450 119.757 120.200 0.011 0.000 2.209 564 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 564 E C 1.423 178.034 176.600 0.017 0.000 0.993 564 E CA 1.068 57.475 56.400 0.012 0.000 0.819 564 E CB 0.119 29.828 29.700 0.016 0.000 0.745 564 E HN 0.446 nan 8.360 nan 0.000 0.477 565 K N 0.010 120.423 120.400 0.023 0.000 2.437 565 K HA 0.088 4.408 4.320 -0.000 0.000 0.205 565 K C 1.566 178.183 176.600 0.028 0.000 1.026 565 K CA -0.261 56.042 56.287 0.026 0.000 1.153 565 K CB 0.340 32.859 32.500 0.032 0.000 0.863 565 K HN -0.036 nan 8.250 nan 0.000 0.502 566 R N 1.814 122.330 120.500 0.027 0.000 2.140 566 R HA -0.250 4.090 4.340 -0.000 0.000 0.250 566 R C 1.674 177.999 176.300 0.041 0.000 1.150 566 R CA 1.960 58.081 56.100 0.035 0.000 0.966 566 R CB 0.002 30.314 30.300 0.020 0.000 0.869 566 R HN 0.241 nan 8.270 nan 0.000 0.445 567 E N -0.484 119.730 120.200 0.024 0.000 2.130 567 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 567 E C 1.772 178.383 176.600 0.017 0.000 0.998 567 E CA 1.891 58.302 56.400 0.019 0.000 0.806 567 E CB 0.112 29.816 29.700 0.006 0.000 0.738 567 E HN 0.380 nan 8.360 nan 0.000 0.459 568 V N 0.973 120.893 119.914 0.010 0.000 2.667 568 V HA -0.205 3.915 4.120 -0.000 0.000 0.252 568 V C 2.399 178.491 176.094 -0.003 0.000 1.065 568 V CA 0.861 63.151 62.300 -0.016 0.000 1.083 568 V CB -0.530 31.279 31.823 -0.025 0.000 0.692 568 V HN 0.290 nan 8.190 nan 0.000 0.468 569 L N 0.126 121.383 121.223 0.055 0.000 1.948 569 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 569 L C 2.757 179.686 176.870 0.098 0.000 1.074 569 L CA 2.353 57.259 54.840 0.110 0.000 0.753 569 L CB -0.657 41.523 42.059 0.203 0.000 0.888 569 L HN 0.430 nan 8.230 nan 0.000 0.432 570 E N -0.222 120.105 120.200 0.212 0.000 2.095 570 E HA -0.364 3.986 4.350 -0.000 0.000 0.212 570 E C 2.193 178.792 176.600 -0.001 0.000 1.044 570 E CA 2.236 58.748 56.400 0.187 0.000 0.857 570 E CB -0.093 29.700 29.700 0.155 0.000 0.764 570 E HN 0.262 nan 8.360 nan 0.000 0.462 571 R N -0.132 120.360 120.500 -0.013 0.000 2.112 571 R HA -0.211 4.129 4.340 -0.000 0.000 0.242 571 R C 2.361 178.598 176.300 -0.104 0.000 1.137 571 R CA 2.215 58.279 56.100 -0.060 0.000 0.944 571 R CB -0.382 29.876 30.300 -0.071 0.000 0.857 571 R HN 0.088 nan 8.270 nan 0.000 0.435 572 V N 0.233 120.075 119.914 -0.121 0.000 2.239 572 V HA -0.175 3.945 4.120 -0.000 0.000 0.242 572 V C 2.372 178.387 176.094 -0.132 0.000 1.038 572 V CA 1.863 64.086 62.300 -0.128 0.000 1.002 572 V CB -0.981 30.795 31.823 -0.079 0.000 0.641 572 V HN 0.599 nan 8.190 nan 0.000 0.449 573 A N -0.171 122.512 122.820 -0.228 0.000 1.896 573 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 573 A C 2.151 179.542 177.584 -0.322 0.000 1.206 573 A CA 2.242 54.028 52.037 -0.418 0.000 0.647 573 A CB -0.658 17.654 19.000 -1.146 0.000 0.828 573 A HN 0.560 nan 8.150 nan 0.000 0.455 574 E N -0.522 119.515 120.200 -0.271 0.000 2.038 574 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 574 E C 2.233 178.782 176.600 -0.085 0.000 1.000 574 E CA 1.870 58.191 56.400 -0.131 0.000 0.803 574 E CB -1.154 28.509 29.700 -0.062 0.000 0.750 574 E HN 0.659 nan 8.360 nan 0.000 0.448 575 T N 2.353 116.858 114.554 -0.082 0.000 2.684 575 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 575 T C 2.085 176.761 174.700 -0.041 0.000 1.036 575 T CA 0.860 62.927 62.100 -0.055 0.000 1.148 575 T CB -0.357 68.474 68.868 -0.062 0.000 0.863 575 T HN 0.077 nan 8.240 nan 0.000 0.436 576 L N 0.289 121.482 121.223 -0.050 0.000 1.956 576 L HA -0.131 4.209 4.340 -0.000 0.000 0.216 576 L C 2.565 179.423 176.870 -0.020 0.000 1.073 576 L CA 1.489 56.314 54.840 -0.025 0.000 0.762 576 L CB -0.565 41.477 42.059 -0.027 0.000 0.889 576 L HN 0.274 nan 8.230 nan 0.000 0.433 577 L N -0.261 120.940 121.223 -0.037 0.000 2.030 577 L HA -0.385 3.955 4.340 -0.000 0.000 0.222 577 L C 2.592 179.462 176.870 0.001 0.000 1.082 577 L CA 2.100 56.935 54.840 -0.009 0.000 0.785 577 L CB -0.379 41.675 42.059 -0.009 0.000 0.895 577 L HN 0.371 nan 8.230 nan 0.000 0.439 578 E N -0.597 119.598 120.200 -0.008 0.000 2.150 578 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 578 E C 1.820 178.419 176.600 -0.000 0.000 0.985 578 E CA 1.093 57.491 56.400 -0.003 0.000 0.814 578 E CB 0.220 29.915 29.700 -0.008 0.000 0.752 578 E HN 0.450 nan 8.360 nan 0.000 0.466 579 R N -0.850 119.649 120.500 -0.001 0.000 2.549 579 R HA 0.105 4.445 4.340 -0.000 0.000 0.344 579 R C 0.153 176.458 176.300 0.008 0.000 0.979 579 R CA 0.529 56.631 56.100 0.003 0.000 1.140 579 R CB 0.330 30.631 30.300 0.001 0.000 1.377 579 R HN -0.037 nan 8.270 nan 0.000 0.541 580 E N -0.175 120.031 120.200 0.011 0.000 4.724 580 E HA -0.202 4.148 4.350 -0.000 0.000 0.169 580 E C -0.590 176.020 176.600 0.015 0.000 1.223 580 E CA 2.224 58.633 56.400 0.015 0.000 2.386 580 E CB -1.534 28.176 29.700 0.017 0.000 1.790 580 E HN 0.434 nan 8.360 nan 0.000 0.449 581 T N 1.601 116.163 114.554 0.014 0.000 2.879 581 T HA 0.675 5.025 4.350 -0.000 0.000 0.290 581 T C -0.429 174.283 174.700 0.021 0.000 0.993 581 T CA -0.592 61.516 62.100 0.013 0.000 0.975 581 T CB 1.493 70.366 68.868 0.008 0.000 0.981 581 T HN 0.089 nan 8.240 nan 0.000 0.439 582 L N 2.720 123.962 121.223 0.031 0.000 2.325 582 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 582 L C 0.590 177.484 176.870 0.042 0.000 1.004 582 L CA -0.697 54.177 54.840 0.056 0.000 0.823 582 L CB 1.645 43.777 42.059 0.121 0.000 1.236 582 L HN 0.568 nan 8.230 nan 0.000 0.415 583 T N 1.333 115.911 114.554 0.040 0.000 2.913 583 T HA 0.179 4.529 4.350 -0.000 0.000 0.297 583 T C 1.391 176.134 174.700 0.073 0.000 1.029 583 T CA 0.201 62.319 62.100 0.030 0.000 1.104 583 T CB 1.669 70.554 68.868 0.028 0.000 0.964 583 T HN 0.745 nan 8.240 nan 0.000 0.532 584 A N 1.840 124.693 122.820 0.056 0.000 1.978 584 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 584 A C 2.221 179.924 177.584 0.198 0.000 1.170 584 A CA 1.368 53.490 52.037 0.141 0.000 0.636 584 A CB -0.454 18.614 19.000 0.113 0.000 0.810 584 A HN 0.892 nan 8.150 nan 0.000 0.448 585 E N -0.089 120.186 120.200 0.124 0.000 2.106 585 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 585 E C 1.882 178.544 176.600 0.103 0.000 0.984 585 E CA 1.026 57.490 56.400 0.106 0.000 0.806 585 E CB -0.182 29.561 29.700 0.071 0.000 0.750 585 E HN 0.707 nan 8.360 nan 0.000 0.458 586 E N -0.166 120.092 120.200 0.097 0.000 2.058 586 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 586 E C 1.981 178.632 176.600 0.085 0.000 0.997 586 E CA 1.059 57.503 56.400 0.072 0.000 0.801 586 E CB -0.347 29.392 29.700 0.064 0.000 0.746 586 E HN 0.234 nan 8.360 nan 0.000 0.450 587 F N 1.997 121.948 119.950 0.000 0.000 2.043 587 F HA -0.334 4.193 4.527 -0.000 0.000 0.297 587 F C 2.713 178.482 175.800 -0.051 0.000 1.118 587 F CA 2.244 60.241 58.000 -0.005 0.000 1.202 587 F CB -0.327 38.717 39.000 0.073 0.000 0.965 587 F HN -0.011 nan 8.300 nan 0.000 0.482 588 Q N 0.468 120.383 119.800 0.192 0.000 2.173 588 Q HA -0.257 4.083 4.340 -0.000 0.000 0.208 588 Q C 2.273 178.258 176.000 -0.025 0.000 0.989 588 Q CA 2.065 57.910 55.803 0.070 0.000 0.872 588 Q CB -0.307 28.489 28.738 0.097 0.000 0.909 588 Q HN 0.433 nan 8.270 nan 0.000 0.420 589 R N -1.323 119.159 120.500 -0.029 0.000 2.051 589 R HA -0.034 4.306 4.340 -0.000 0.000 0.225 589 R C 2.221 178.455 176.300 -0.110 0.000 1.155 589 R CA 1.170 57.241 56.100 -0.049 0.000 0.945 589 R CB -0.709 29.577 30.300 -0.023 0.000 0.840 589 R HN 0.290 nan 8.270 nan 0.000 0.432 590 V N 0.867 120.685 119.914 -0.159 0.000 2.527 590 V HA -0.221 3.899 4.120 -0.000 0.000 0.255 590 V C 1.916 177.859 176.094 -0.251 0.000 1.081 590 V CA 1.809 63.991 62.300 -0.197 0.000 1.092 590 V CB -0.111 31.582 31.823 -0.216 0.000 0.673 590 V HN 0.192 nan 8.190 nan 0.000 0.470 591 V N 0.475 120.179 119.914 -0.351 0.000 2.307 591 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 591 V C 1.522 177.542 176.094 -0.124 0.000 1.045 591 V CA 2.013 64.137 62.300 -0.294 0.000 1.024 591 V CB -0.710 30.909 31.823 -0.341 0.000 0.651 591 V HN 0.730 nan 8.190 nan 0.000 0.449 592 E N 1.200 121.351 120.200 -0.082 0.000 2.346 592 E HA 0.344 4.694 4.350 -0.000 0.000 0.317 592 E C 1.051 177.626 176.600 -0.042 0.000 1.404 592 E CA 0.364 56.743 56.400 -0.035 0.000 1.534 592 E CB -0.513 29.183 29.700 -0.008 0.000 1.309 592 E HN 0.459 nan 8.360 nan 0.000 0.499 593 G N 2.266 111.035 108.800 -0.052 0.000 2.263 593 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.266 593 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.266 593 G C -0.263 174.615 174.900 -0.037 0.000 0.817 593 G CA 0.629 45.703 45.100 -0.045 0.000 1.111 593 G HN 0.353 nan 8.290 nan 0.000 0.445 594 L N 0.249 121.445 121.223 -0.045 0.000 2.422 594 L HA 0.551 4.891 4.340 -0.000 0.000 0.264 594 L C -2.151 174.697 176.870 -0.037 0.000 0.984 594 L CA -2.262 52.558 54.840 -0.033 0.000 0.819 594 L CB 2.772 44.816 42.059 -0.025 0.000 1.330 594 L HN -0.034 nan 8.230 nan 0.000 0.410 595 P HA 0.362 nan 4.420 nan 0.000 0.276 595 P C -1.517 175.771 177.300 -0.019 0.000 1.261 595 P CA -0.500 62.585 63.100 -0.025 0.000 0.800 595 P CB 0.899 32.589 31.700 -0.018 0.000 1.066 596 L N 1.206 122.419 121.223 -0.016 0.000 2.680 596 L HA 0.241 4.581 4.340 -0.000 0.000 0.260 596 L C -0.665 176.202 176.870 -0.005 0.000 0.975 596 L CA -0.493 54.342 54.840 -0.008 0.000 0.920 596 L CB 1.204 43.261 42.059 -0.004 0.000 1.234 596 L HN 0.551 nan 8.230 nan 0.000 0.429 597 E N 3.003 123.201 120.200 -0.004 0.000 2.283 597 E HA 0.731 5.081 4.350 -0.000 0.000 0.267 597 E C -0.139 176.462 176.600 0.001 0.000 1.045 597 E CA -0.764 55.635 56.400 -0.003 0.000 0.884 597 E CB 1.464 31.162 29.700 -0.003 0.000 1.106 597 E HN 0.589 nan 8.360 nan 0.000 0.408 598 A N 2.183 125.004 122.820 0.001 0.000 2.309 598 A HA 0.396 4.716 4.320 -0.000 0.000 0.298 598 A C -1.571 176.015 177.584 0.003 0.000 1.165 598 A CA -1.186 50.853 52.037 0.003 0.000 0.821 598 A CB 0.014 19.016 19.000 0.003 0.000 1.102 598 A HN 0.723 nan 8.150 nan 0.000 0.500 599 P HA 0.089 nan 4.420 nan 0.000 0.220 599 P C 0.330 177.632 177.300 0.003 0.000 1.154 599 P CA 0.514 63.617 63.100 0.003 0.000 0.830 599 P CB 0.209 31.912 31.700 0.005 0.000 0.803 600 E N 0.000 120.202 120.200 0.003 0.000 2.725 600 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 600 E CA 0.000 56.402 56.400 0.003 0.000 0.976 600 E CB 0.000 29.702 29.700 0.004 0.000 0.812 600 E HN 0.000 nan 8.360 nan 0.000 0.440