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 1xm4_1_B DATA FIRST_RESID 163 DATA SEQUENCE EDHLAKELED LNKWGLNIFN VAGYSHNRPL TXIMYAIFQE RDLLKTFRIS DATA SEQUENCE SDTFITYMMT LEDHYHSDVA YHNSLHAADV AQSTHVLLST PALDAVFTDL DATA SEQUENCE EILAAIFAAA IHDVDHPGVS NQFLINTNSE LALMYNDESV LENHHLAVGF DATA SEQUENCE KLLQEEHXDI FMNLTKKQRQ TLRKMVIDMV LATDMSKHMS LLADLKTMVE DATA SEQUENCE TKKVTSSGVL LLDNYTDRIQ VLRNMVHCAD LSNPTKSLEL YRQWTDRIME DATA SEQUENCE EFFQQGDKER ERGMEISPMC DKHTASVEKS QVGFIDYIVH PLWETWADLV DATA SEQUENCE QPDAQDILDT LEDNRNWYQS MIP 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 163 E HA 0.000 nan 4.350 nan 0.000 0.291 163 E C 0.000 176.555 176.600 -0.075 0.000 1.382 163 E CA 0.000 56.385 56.400 -0.025 0.000 0.976 163 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 164 D N -0.232 120.087 120.400 -0.135 0.000 2.097 164 D HA -0.215 4.425 4.640 -0.000 0.000 0.195 164 D C 1.553 177.684 176.300 -0.282 0.000 0.989 164 D CA 1.877 55.752 54.000 -0.208 0.000 0.827 164 D CB -0.557 40.084 40.800 -0.266 0.000 0.966 164 D HN 0.408 nan 8.370 nan 0.000 0.456 165 H N -0.344 118.538 119.070 -0.312 0.000 2.353 165 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 165 H C 2.201 177.275 175.328 -0.423 0.000 1.090 165 H CA 1.224 56.939 56.048 -0.554 0.000 1.327 165 H CB -0.382 28.634 29.762 -1.243 0.000 1.383 165 H HN 0.180 nan 8.280 nan 0.000 0.508 166 L N 0.999 122.129 121.223 -0.155 0.000 2.046 166 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 166 L C 2.511 179.398 176.870 0.028 0.000 1.077 166 L CA 1.830 56.691 54.840 0.034 0.000 0.747 166 L CB -0.796 41.307 42.059 0.073 0.000 0.896 166 L HN 0.149 nan 8.230 nan 0.000 0.432 167 A N -0.382 122.430 122.820 -0.013 0.000 1.930 167 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 167 A C 2.415 179.996 177.584 -0.004 0.000 1.175 167 A CA 1.753 53.788 52.037 -0.005 0.000 0.627 167 A CB -0.598 18.389 19.000 -0.021 0.000 0.815 167 A HN 0.539 nan 8.150 nan 0.000 0.443 168 K N -0.389 119.995 120.400 -0.027 0.000 2.148 168 K HA -0.166 4.153 4.320 -0.000 0.000 0.204 168 K C 1.816 178.435 176.600 0.031 0.000 1.050 168 K CA 1.659 57.941 56.287 -0.009 0.000 0.942 168 K CB -0.088 32.393 32.500 -0.032 0.000 0.724 168 K HN 0.322 nan 8.250 nan 0.000 0.446 169 E N 0.742 120.976 120.200 0.055 0.000 2.072 169 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 169 E C 1.608 178.252 176.600 0.073 0.000 0.982 169 E CA 1.023 57.479 56.400 0.092 0.000 0.803 169 E CB -0.034 29.762 29.700 0.160 0.000 0.755 169 E HN 0.349 nan 8.360 nan 0.000 0.453 170 L N 0.591 121.852 121.223 0.062 0.000 2.551 170 L HA -0.022 4.318 4.340 -0.000 0.000 0.228 170 L C 1.865 178.766 176.870 0.051 0.000 1.153 170 L CA 0.503 55.376 54.840 0.056 0.000 0.851 170 L CB -0.231 41.858 42.059 0.050 0.000 0.959 170 L HN 0.155 nan 8.230 nan 0.000 0.451 171 E N 0.268 120.495 120.200 0.045 0.000 2.204 171 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 171 E C 0.622 177.257 176.600 0.058 0.000 0.990 171 E CA 0.991 57.417 56.400 0.043 0.000 0.821 171 E CB 0.088 29.807 29.700 0.033 0.000 0.750 171 E HN 0.476 nan 8.360 nan 0.000 0.477 172 D N 0.124 120.564 120.400 0.067 0.000 2.336 172 D HA -0.011 4.629 4.640 -0.000 0.000 0.228 172 D C 1.413 177.774 176.300 0.102 0.000 1.120 172 D CA -0.074 53.974 54.000 0.081 0.000 0.839 172 D CB 0.201 41.047 40.800 0.076 0.000 0.932 172 D HN 0.059 nan 8.370 nan 0.000 0.509 173 L N 1.037 122.322 121.223 0.103 0.000 2.051 173 L HA -0.212 4.128 4.340 -0.000 0.000 0.214 173 L C 0.944 177.953 176.870 0.231 0.000 1.076 173 L CA 1.742 56.661 54.840 0.132 0.000 0.758 173 L CB -0.348 41.771 42.059 0.100 0.000 0.890 173 L HN -0.058 nan 8.230 nan 0.000 0.433 174 N N -0.202 118.627 118.700 0.215 0.000 2.313 174 N HA 0.095 4.835 4.740 -0.000 0.000 0.207 174 N C -0.471 175.129 175.510 0.150 0.000 1.141 174 N CA 0.301 53.468 53.050 0.196 0.000 0.830 174 N CB 0.097 38.667 38.487 0.140 0.000 1.008 174 N HN 0.467 nan 8.380 nan 0.000 0.481 175 K N -1.178 119.324 120.400 0.170 0.000 2.318 175 K HA 0.190 4.509 4.320 -0.000 0.000 0.249 175 K C 0.123 176.877 176.600 0.256 0.000 0.942 175 K CA -0.819 55.583 56.287 0.190 0.000 0.808 175 K CB 2.008 34.593 32.500 0.143 0.000 1.189 175 K HN 0.003 nan 8.250 nan 0.000 0.428 176 W N 1.855 123.180 121.300 0.042 0.000 2.374 176 W HA -0.094 4.566 4.660 -0.001 0.000 0.288 176 W C 1.038 177.583 176.519 0.045 0.000 1.218 176 W CA 1.659 59.025 57.345 0.034 0.000 1.245 176 W CB 0.319 29.783 29.460 0.005 0.000 1.126 176 W HN 0.892 nan 8.180 nan 0.000 0.545 177 G N 0.981 109.892 108.800 0.186 0.000 3.061 177 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.208 177 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.208 177 G C 0.305 175.239 174.900 0.056 0.000 1.175 177 G CA -0.448 44.708 45.100 0.093 0.000 0.812 177 G HN 0.108 nan 8.290 nan 0.000 0.523 178 L N 0.462 121.713 121.223 0.046 0.000 2.483 178 L HA 0.203 4.543 4.340 -0.000 0.000 0.276 178 L C -0.062 176.829 176.870 0.034 0.000 1.213 178 L CA -0.380 54.487 54.840 0.044 0.000 0.843 178 L CB 0.704 42.791 42.059 0.045 0.000 1.107 178 L HN -0.009 nan 8.230 nan 0.000 0.487 179 N N 4.356 123.088 118.700 0.054 0.000 2.609 179 N HA 0.073 4.812 4.740 -0.000 0.000 0.234 179 N C 0.593 176.127 175.510 0.040 0.000 1.001 179 N CA -0.254 52.841 53.050 0.075 0.000 0.926 179 N CB 0.886 39.423 38.487 0.083 0.000 1.130 179 N HN 0.737 nan 8.380 nan 0.000 0.510 180 I N 3.387 123.941 120.570 -0.028 0.000 2.493 180 I HA -0.049 4.121 4.170 -0.000 0.000 0.254 180 I C 1.131 177.102 176.117 -0.243 0.000 1.160 180 I CA 1.039 62.254 61.300 -0.143 0.000 1.445 180 I CB -0.175 37.717 38.000 -0.181 0.000 1.086 180 I HN 0.403 nan 8.210 nan 0.000 0.433 181 F N 0.577 120.431 119.950 -0.161 0.000 2.134 181 F HA -0.232 4.295 4.527 0.000 0.000 0.299 181 F C 2.314 177.981 175.800 -0.222 0.000 1.097 181 F CA 1.456 59.320 58.000 -0.227 0.000 1.264 181 F CB -1.084 37.737 39.000 -0.298 0.000 1.001 181 F HN 0.135 nan 8.300 nan 0.000 0.479 182 N N 0.284 118.980 118.700 -0.008 0.000 2.188 182 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 182 N C 2.210 177.646 175.510 -0.124 0.000 1.018 182 N CA 1.456 54.426 53.050 -0.132 0.000 0.858 182 N CB -0.822 37.698 38.487 0.056 0.000 0.989 182 N HN 0.325 nan 8.380 nan 0.000 0.426 183 V N -0.178 119.725 119.914 -0.017 0.000 2.548 183 V HA 0.029 4.149 4.120 -0.000 0.000 0.249 183 V C 2.016 178.078 176.094 -0.054 0.000 1.055 183 V CA 1.702 64.015 62.300 0.021 0.000 1.065 183 V CB -0.763 31.080 31.823 0.034 0.000 0.681 183 V HN 0.204 nan 8.190 nan 0.000 0.462 184 A N 1.056 123.807 122.820 -0.115 0.000 1.877 184 A HA 0.024 4.343 4.320 -0.000 0.000 0.216 184 A C 2.430 179.925 177.584 -0.150 0.000 1.186 184 A CA 1.996 53.957 52.037 -0.126 0.000 0.620 184 A CB -1.617 17.293 19.000 -0.150 0.000 0.822 184 A HN 0.762 nan 8.150 nan 0.000 0.443 185 G N -1.998 106.653 108.800 -0.249 0.000 2.432 185 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 185 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 185 G C 1.272 175.968 174.900 -0.341 0.000 1.135 185 G CA 1.115 46.009 45.100 -0.343 0.000 0.767 185 G HN 0.548 nan 8.290 nan 0.000 0.550 186 Y N 0.989 121.222 120.300 -0.111 0.000 2.511 186 Y HA 0.171 4.721 4.550 -0.000 0.000 0.279 186 Y C 2.390 178.157 175.900 -0.221 0.000 1.157 186 Y CA 0.105 58.119 58.100 -0.143 0.000 1.300 186 Y CB 0.219 38.647 38.460 -0.052 0.000 1.052 186 Y HN 0.264 nan 8.280 nan 0.000 0.529 187 S N -1.542 114.105 115.700 -0.088 0.000 2.601 187 S HA 0.124 4.594 4.470 -0.000 0.000 0.244 187 S C -0.314 174.243 174.600 -0.072 0.000 1.001 187 S CA -0.344 57.802 58.200 -0.089 0.000 0.984 187 S CB -0.722 62.472 63.200 -0.009 0.000 0.842 187 S HN 0.443 nan 8.310 nan 0.000 0.474 188 H N 1.751 120.831 119.070 0.017 0.000 2.692 188 H HA -0.144 4.412 4.556 -0.000 0.000 0.316 188 H C 0.473 175.788 175.328 -0.021 0.000 1.176 188 H CA 0.892 56.938 56.048 -0.003 0.000 1.142 188 H CB -2.171 27.594 29.762 0.004 0.000 1.475 188 H HN 0.651 nan 8.280 nan 0.000 0.423 189 N N -0.242 118.476 118.700 0.030 0.000 2.735 189 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 189 N C -0.107 175.396 175.510 -0.012 0.000 1.083 189 N CA 0.986 54.032 53.050 -0.007 0.000 0.703 189 N CB -0.471 38.017 38.487 0.002 0.000 1.005 189 N HN 0.615 nan 8.380 nan 0.000 0.550 190 R N -0.086 120.408 120.500 -0.011 0.000 2.997 190 R HA 0.179 4.519 4.340 -0.000 0.000 0.358 190 R C -1.536 174.739 176.300 -0.041 0.000 1.191 190 R CA -1.026 55.059 56.100 -0.024 0.000 1.113 190 R CB 0.826 31.124 30.300 -0.003 0.000 1.433 190 R HN 0.281 nan 8.270 nan 0.000 0.584 191 P HA -0.179 nan 4.420 nan 0.000 0.217 191 P C 1.342 178.592 177.300 -0.082 0.000 1.150 191 P CA 0.804 63.856 63.100 -0.080 0.000 0.832 191 P CB 0.367 31.990 31.700 -0.127 0.000 0.787 192 L N -0.244 120.908 121.223 -0.118 0.000 2.027 192 L HA 0.030 4.369 4.340 -0.000 0.000 0.206 192 L C 1.109 177.939 176.870 -0.067 0.000 1.074 192 L CA 1.686 56.451 54.840 -0.125 0.000 0.745 192 L CB -1.616 40.318 42.059 -0.208 0.000 0.898 192 L HN -0.119 nan 8.230 nan 0.000 0.433 196 M N -0.359 119.342 119.600 0.168 0.000 2.156 196 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 196 M C 2.175 178.751 176.300 0.459 0.000 1.067 196 M CA 1.875 57.350 55.300 0.292 0.000 1.131 196 M CB -1.116 31.600 32.600 0.193 0.000 1.368 196 M HN 0.398 nan 8.290 nan 0.000 0.416 197 Y N 1.277 121.773 120.300 0.327 0.000 2.128 197 Y HA -0.176 4.374 4.550 -0.000 0.000 0.284 197 Y C 2.440 178.435 175.900 0.158 0.000 1.154 197 Y CA 1.784 60.063 58.100 0.299 0.000 1.149 197 Y CB -0.636 37.964 38.460 0.232 0.000 0.976 197 Y HN 0.215 nan 8.280 nan 0.000 0.505 198 A N 0.088 122.984 122.820 0.126 0.000 1.902 198 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 198 A C 2.360 179.909 177.584 -0.058 0.000 1.181 198 A CA 1.975 54.003 52.037 -0.015 0.000 0.623 198 A CB -1.141 17.874 19.000 0.024 0.000 0.818 198 A HN 0.529 nan 8.150 nan 0.000 0.443 199 I N -1.966 118.591 120.570 -0.022 0.000 2.286 199 I HA -0.227 3.942 4.170 -0.000 0.000 0.248 199 I C 2.184 178.282 176.117 -0.032 0.000 1.115 199 I CA 1.202 62.401 61.300 -0.167 0.000 1.392 199 I CB -0.287 37.656 38.000 -0.095 0.000 1.065 199 I HN 0.279 nan 8.210 nan 0.000 0.418 200 F N 0.894 120.757 119.950 -0.145 0.000 2.206 200 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 200 F C 2.659 178.328 175.800 -0.219 0.000 1.090 200 F CA 1.275 59.158 58.000 -0.196 0.000 1.323 200 F CB -0.541 38.209 39.000 -0.417 0.000 1.028 200 F HN 0.077 nan 8.300 nan 0.000 0.492 201 Q N -0.424 119.306 119.800 -0.117 0.000 2.083 201 Q HA -0.216 4.123 4.340 -0.000 0.000 0.198 201 Q C 2.101 178.039 176.000 -0.104 0.000 0.969 201 Q CA 1.492 57.189 55.803 -0.176 0.000 0.838 201 Q CB -0.283 28.270 28.738 -0.308 0.000 0.900 201 Q HN 0.306 nan 8.270 nan 0.000 0.436 202 E N 1.399 121.549 120.200 -0.084 0.000 2.085 202 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 202 E C 1.416 178.013 176.600 -0.004 0.000 0.994 202 E CA 1.422 57.805 56.400 -0.028 0.000 0.801 202 E CB 0.070 29.767 29.700 -0.004 0.000 0.743 202 E HN 0.155 nan 8.360 nan 0.000 0.453 203 R N -0.109 120.376 120.500 -0.026 0.000 2.317 203 R HA 0.055 4.395 4.340 -0.000 0.000 0.208 203 R C -0.054 176.209 176.300 -0.062 0.000 0.914 203 R CA 0.646 56.732 56.100 -0.023 0.000 1.060 203 R CB 0.209 30.485 30.300 -0.039 0.000 1.015 203 R HN 0.103 nan 8.270 nan 0.000 0.498 204 D N -0.248 120.108 120.400 -0.073 0.000 3.012 204 D HA -0.185 4.455 4.640 -0.000 0.000 0.222 204 D C 0.656 176.910 176.300 -0.077 0.000 1.167 204 D CA 0.679 54.637 54.000 -0.071 0.000 0.854 204 D CB -1.242 39.520 40.800 -0.063 0.000 1.107 204 D HN 0.251 nan 8.370 nan 0.000 0.421 205 L N -0.396 120.767 121.223 -0.101 0.000 2.191 205 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 205 L C 2.455 179.401 176.870 0.128 0.000 1.103 205 L CA 0.814 55.633 54.840 -0.034 0.000 0.769 205 L CB -0.245 41.582 42.059 -0.386 0.000 0.908 205 L HN 0.233 nan 8.230 nan 0.000 0.438 206 L N -0.691 120.580 121.223 0.080 0.000 2.109 206 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 206 L C 2.531 179.432 176.870 0.051 0.000 1.086 206 L CA 1.173 56.063 54.840 0.083 0.000 0.760 206 L CB -0.449 41.620 42.059 0.017 0.000 0.910 206 L HN 0.196 nan 8.230 nan 0.000 0.437 207 K N -0.526 119.873 120.400 -0.002 0.000 2.076 207 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 207 K C 2.123 178.676 176.600 -0.078 0.000 1.051 207 K CA 1.475 57.745 56.287 -0.028 0.000 0.949 207 K CB -0.324 32.152 32.500 -0.040 0.000 0.726 207 K HN 0.166 nan 8.250 nan 0.000 0.443 208 T N 0.947 115.408 114.554 -0.156 0.000 2.746 208 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 208 T C 0.955 175.329 174.700 -0.542 0.000 1.039 208 T CA 1.295 63.163 62.100 -0.388 0.000 1.142 208 T CB -0.124 68.416 68.868 -0.547 0.000 0.866 208 T HN 0.078 nan 8.240 nan 0.000 0.444 209 F N 0.695 120.661 119.950 0.026 0.000 2.647 209 F HA 0.442 4.969 4.527 -0.000 0.000 0.300 209 F C 0.683 176.518 175.800 0.057 0.000 1.106 209 F CA -0.860 57.173 58.000 0.054 0.000 1.313 209 F CB -0.339 38.719 39.000 0.098 0.000 1.007 209 F HN -0.150 nan 8.300 nan 0.000 0.536 210 R N 1.202 121.772 120.500 0.118 0.000 3.127 210 R HA -0.184 4.156 4.340 -0.000 0.000 0.247 210 R C -0.958 175.409 176.300 0.111 0.000 0.896 210 R CA 0.352 56.505 56.100 0.087 0.000 0.624 210 R CB -2.102 28.238 30.300 0.065 0.000 1.154 210 R HN 0.321 nan 8.270 nan 0.000 0.474 211 I N 0.934 121.576 120.570 0.120 0.000 2.355 211 I HA 0.149 4.318 4.170 -0.000 0.000 0.288 211 I C 0.952 177.124 176.117 0.091 0.000 0.999 211 I CA -0.708 60.658 61.300 0.109 0.000 1.163 211 I CB 1.828 39.909 38.000 0.135 0.000 1.316 211 I HN 0.274 nan 8.210 nan 0.000 0.454 212 S N 3.646 119.392 115.700 0.077 0.000 2.572 212 S HA 0.120 4.589 4.470 -0.000 0.000 0.279 212 S C 1.090 175.766 174.600 0.128 0.000 1.341 212 S CA -0.465 57.782 58.200 0.080 0.000 1.043 212 S CB 1.512 64.740 63.200 0.046 0.000 0.887 212 S HN 0.628 nan 8.310 nan 0.000 0.516 213 S N 2.087 117.873 115.700 0.143 0.000 2.370 213 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 213 S C 1.369 176.047 174.600 0.129 0.000 1.033 213 S CA 1.612 59.931 58.200 0.199 0.000 1.011 213 S CB -0.636 62.685 63.200 0.202 0.000 0.852 213 S HN 0.845 nan 8.310 nan 0.000 0.457 214 D N 1.021 121.470 120.400 0.082 0.000 2.092 214 D HA -0.079 4.561 4.640 -0.000 0.000 0.193 214 D C 2.123 178.466 176.300 0.072 0.000 0.994 214 D CA 1.493 55.527 54.000 0.057 0.000 0.828 214 D CB -0.996 39.838 40.800 0.056 0.000 0.963 214 D HN 0.325 nan 8.370 nan 0.000 0.450 215 T N 0.505 115.105 114.554 0.076 0.000 2.788 215 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 215 T C 1.712 176.468 174.700 0.095 0.000 1.044 215 T CA 0.722 62.864 62.100 0.069 0.000 1.139 215 T CB -0.417 68.468 68.868 0.029 0.000 0.867 215 T HN 0.104 nan 8.240 nan 0.000 0.454 216 F N 1.688 121.620 119.950 -0.030 0.000 2.113 216 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 216 F C 1.914 177.695 175.800 -0.033 0.000 1.103 216 F CA 0.763 58.728 58.000 -0.060 0.000 1.248 216 F CB -0.313 38.655 39.000 -0.052 0.000 0.999 216 F HN -0.017 nan 8.300 nan 0.000 0.475 217 I N 0.330 120.876 120.570 -0.040 0.000 2.142 217 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 217 I C 2.382 178.412 176.117 -0.145 0.000 1.078 217 I CA 1.799 62.998 61.300 -0.168 0.000 1.343 217 I CB -1.940 35.965 38.000 -0.159 0.000 1.046 217 I HN 0.147 nan 8.210 nan 0.000 0.405 218 T N 0.445 114.966 114.554 -0.056 0.000 2.699 218 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 218 T C 1.870 176.532 174.700 -0.062 0.000 1.036 218 T CA 1.978 64.061 62.100 -0.029 0.000 1.147 218 T CB -0.645 68.254 68.868 0.053 0.000 0.862 218 T HN 0.384 nan 8.240 nan 0.000 0.446 219 Y N 1.023 121.218 120.300 -0.174 0.000 2.163 219 Y HA -0.110 4.439 4.550 -0.000 0.000 0.288 219 Y C 2.340 178.095 175.900 -0.243 0.000 1.136 219 Y CA 1.244 59.224 58.100 -0.199 0.000 1.147 219 Y CB -0.228 38.086 38.460 -0.244 0.000 0.987 219 Y HN 0.012 nan 8.280 nan 0.000 0.509 220 M N -0.289 119.162 119.600 -0.247 0.000 2.175 220 M HA -0.219 4.261 4.480 -0.000 0.000 0.264 220 M C 2.261 178.413 176.300 -0.246 0.000 1.063 220 M CA 1.613 56.730 55.300 -0.305 0.000 1.119 220 M CB -1.062 31.257 32.600 -0.467 0.000 1.377 220 M HN 0.474 nan 8.290 nan 0.000 0.415 221 M N -0.689 118.790 119.600 -0.202 0.000 2.086 221 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 221 M C 2.036 178.270 176.300 -0.110 0.000 1.067 221 M CA 1.794 57.017 55.300 -0.129 0.000 1.116 221 M CB -0.486 32.054 32.600 -0.101 0.000 1.348 221 M HN 0.234 nan 8.290 nan 0.000 0.407 222 T N 0.858 115.319 114.554 -0.155 0.000 2.777 222 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 222 T C 1.610 176.263 174.700 -0.078 0.000 1.040 222 T CA 1.202 63.244 62.100 -0.097 0.000 1.141 222 T CB -0.340 68.430 68.868 -0.163 0.000 0.868 222 T HN 0.256 nan 8.240 nan 0.000 0.444 223 L N 1.604 122.625 121.223 -0.337 0.000 1.989 223 L HA -0.086 4.254 4.340 -0.000 0.000 0.211 223 L C 2.451 179.348 176.870 0.045 0.000 1.071 223 L CA 2.084 56.760 54.840 -0.274 0.000 0.749 223 L CB -0.699 41.122 42.059 -0.397 0.000 0.890 223 L HN 0.290 nan 8.230 nan 0.000 0.431 224 E N -0.909 119.305 120.200 0.024 0.000 2.118 224 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 224 E C 1.614 178.301 176.600 0.145 0.000 0.992 224 E CA 1.500 57.958 56.400 0.097 0.000 0.804 224 E CB -0.109 29.573 29.700 -0.028 0.000 0.741 224 E HN 0.578 nan 8.360 nan 0.000 0.458 225 D N -0.465 119.989 120.400 0.091 0.000 2.263 225 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 225 D C 1.144 177.461 176.300 0.029 0.000 0.971 225 D CA 0.949 54.978 54.000 0.049 0.000 0.867 225 D CB -0.204 40.592 40.800 -0.006 0.000 0.929 225 D HN 0.395 nan 8.370 nan 0.000 0.492 226 H N -1.627 117.463 119.070 0.032 0.000 2.547 226 H HA 0.104 4.660 4.556 -0.000 0.000 0.266 226 H C -0.267 175.064 175.328 0.004 0.000 0.988 226 H CA 0.115 56.172 56.048 0.016 0.000 1.147 226 H CB -0.121 29.589 29.762 -0.087 0.000 1.365 226 H HN 0.127 nan 8.280 nan 0.000 0.589 227 Y N 0.769 121.135 120.300 0.111 0.000 2.313 227 Y HA 0.140 4.690 4.550 -0.000 0.000 0.332 227 Y C 0.382 176.383 175.900 0.168 0.000 1.071 227 Y CA -0.477 57.651 58.100 0.047 0.000 1.169 227 Y CB 0.475 38.928 38.460 -0.013 0.000 1.192 227 Y HN 0.241 nan 8.280 nan 0.000 0.487 228 H N 1.174 120.341 119.070 0.162 0.000 2.742 228 H HA 0.088 4.643 4.556 -0.000 0.000 0.302 228 H C 0.799 176.183 175.328 0.094 0.000 1.069 228 H CA -0.037 56.070 56.048 0.100 0.000 1.446 228 H CB 1.031 30.849 29.762 0.094 0.000 1.462 228 H HN 0.777 nan 8.280 nan 0.000 0.499 229 S N 1.512 117.316 115.700 0.172 0.000 2.522 229 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 229 S C 1.094 175.747 174.600 0.088 0.000 0.986 229 S CA 0.656 58.916 58.200 0.101 0.000 0.929 229 S CB -0.002 63.231 63.200 0.054 0.000 0.769 229 S HN 0.745 nan 8.310 nan 0.000 0.529 230 D N 0.925 121.388 120.400 0.105 0.000 2.328 230 D HA 0.130 4.770 4.640 -0.000 0.000 0.221 230 D C 0.009 176.376 176.300 0.112 0.000 1.072 230 D CA -0.257 53.794 54.000 0.085 0.000 0.850 230 D CB -0.170 40.664 40.800 0.056 0.000 0.922 230 D HN 0.290 nan 8.370 nan 0.000 0.516 231 V N 1.134 121.135 119.914 0.145 0.000 2.370 231 V HA 0.484 4.604 4.120 -0.000 0.000 0.279 231 V C 1.358 177.518 176.094 0.111 0.000 1.029 231 V CA -0.319 62.069 62.300 0.147 0.000 0.870 231 V CB 1.212 33.149 31.823 0.190 0.000 0.984 231 V HN 0.210 nan 8.190 nan 0.000 0.451 232 A N 4.151 127.032 122.820 0.101 0.000 1.930 232 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 232 A C 1.744 179.384 177.584 0.093 0.000 1.175 232 A CA 1.809 53.897 52.037 0.085 0.000 0.627 232 A CB -0.275 18.769 19.000 0.074 0.000 0.815 232 A HN 0.925 nan 8.150 nan 0.000 0.443 233 Y N -1.245 119.014 120.300 -0.069 0.000 2.472 233 Y HA 0.203 4.753 4.550 -0.000 0.000 0.288 233 Y C 0.964 176.688 175.900 -0.292 0.000 1.154 233 Y CA 0.501 58.485 58.100 -0.194 0.000 1.238 233 Y CB 0.271 38.498 38.460 -0.389 0.000 1.287 233 Y HN 0.364 nan 8.280 nan 0.000 0.524 234 H N 1.965 121.037 119.070 0.003 0.000 2.983 234 H HA 0.162 4.718 4.556 -0.000 0.000 0.222 234 H C -0.617 174.741 175.328 0.051 0.000 1.828 234 H CA -0.135 55.862 56.048 -0.085 0.000 1.309 234 H CB -0.940 28.532 29.762 -0.483 0.000 1.644 234 H HN 0.429 nan 8.280 nan 0.000 0.561 235 N N -1.710 117.036 118.700 0.077 0.000 2.813 235 N HA 0.080 4.820 4.740 -0.000 0.000 0.320 235 N C 1.198 176.623 175.510 -0.142 0.000 1.315 235 N CA -0.320 52.791 53.050 0.101 0.000 0.871 235 N CB 0.415 38.934 38.487 0.052 0.000 1.241 235 N HN 0.037 nan 8.380 nan 0.000 0.602 236 S N -1.142 114.399 115.700 -0.264 0.000 2.481 236 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 236 S C 1.502 175.841 174.600 -0.435 0.000 0.996 236 S CA 0.220 58.036 58.200 -0.640 0.000 0.942 236 S CB -0.505 62.462 63.200 -0.387 0.000 0.768 236 S HN 0.466 nan 8.310 nan 0.000 0.520 237 L N 1.838 122.906 121.223 -0.259 0.000 2.093 237 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 237 L C 2.372 179.145 176.870 -0.161 0.000 1.085 237 L CA 2.139 56.853 54.840 -0.210 0.000 0.755 237 L CB -1.168 40.770 42.059 -0.201 0.000 0.904 237 L HN 0.569 nan 8.230 nan 0.000 0.435 238 H N -0.573 118.316 119.070 -0.302 0.000 2.357 238 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 238 H C 2.023 177.171 175.328 -0.299 0.000 1.082 238 H CA 1.584 57.368 56.048 -0.440 0.000 1.342 238 H CB -0.076 29.289 29.762 -0.661 0.000 1.389 238 H HN 0.342 nan 8.280 nan 0.000 0.511 239 A N 1.035 123.535 122.820 -0.534 0.000 1.902 239 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 239 A C 2.642 180.026 177.584 -0.332 0.000 1.181 239 A CA 1.816 53.570 52.037 -0.472 0.000 0.623 239 A CB -1.402 17.133 19.000 -0.774 0.000 0.818 239 A HN 0.624 nan 8.150 nan 0.000 0.443 240 A N -0.155 122.477 122.820 -0.314 0.000 1.933 240 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 240 A C 1.831 179.315 177.584 -0.168 0.000 1.175 240 A CA 2.192 54.110 52.037 -0.198 0.000 0.628 240 A CB -0.625 18.268 19.000 -0.178 0.000 0.814 240 A HN 0.570 nan 8.150 nan 0.000 0.444 241 D N -0.694 119.576 120.400 -0.216 0.000 2.149 241 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 241 D C 1.704 177.860 176.300 -0.240 0.000 0.972 241 D CA 1.405 55.283 54.000 -0.203 0.000 0.835 241 D CB -0.017 40.652 40.800 -0.219 0.000 0.966 241 D HN 0.151 nan 8.370 nan 0.000 0.476 242 V N 0.521 120.254 119.914 -0.302 0.000 2.453 242 V HA -0.062 4.058 4.120 -0.000 0.000 0.247 242 V C 2.539 178.545 176.094 -0.146 0.000 1.048 242 V CA 1.486 63.627 62.300 -0.264 0.000 1.049 242 V CB -0.691 30.906 31.823 -0.377 0.000 0.672 242 V HN 0.318 nan 8.190 nan 0.000 0.457 243 A N -0.693 122.064 122.820 -0.105 0.000 1.873 243 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 243 A C 2.258 179.870 177.584 0.047 0.000 1.186 243 A CA 1.836 53.869 52.037 -0.006 0.000 0.616 243 A CB -0.567 18.443 19.000 0.018 0.000 0.823 243 A HN 0.475 nan 8.150 nan 0.000 0.442 244 Q N 0.267 120.075 119.800 0.013 0.000 2.084 244 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 244 Q C 2.242 178.300 176.000 0.097 0.000 0.978 244 Q CA 2.052 57.897 55.803 0.070 0.000 0.844 244 Q CB -0.271 28.476 28.738 0.014 0.000 0.898 244 Q HN 0.593 nan 8.270 nan 0.000 0.426 245 S N 0.057 115.744 115.700 -0.022 0.000 2.382 245 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 245 S C 1.969 176.694 174.600 0.207 0.000 1.027 245 S CA 1.546 59.745 58.200 -0.003 0.000 0.991 245 S CB -0.340 62.738 63.200 -0.204 0.000 0.823 245 S HN 0.458 nan 8.310 nan 0.000 0.469 246 T N 0.901 115.522 114.554 0.112 0.000 2.701 246 T HA -0.152 4.198 4.350 -0.000 0.000 0.263 246 T C 1.728 176.523 174.700 0.158 0.000 1.040 246 T CA 1.775 63.934 62.100 0.099 0.000 1.147 246 T CB -0.555 68.334 68.868 0.035 0.000 0.865 246 T HN 0.634 nan 8.240 nan 0.000 0.426 247 H N 1.106 120.232 119.070 0.093 0.000 2.357 247 H HA -0.092 4.464 4.556 -0.000 0.000 0.296 247 H C 1.889 177.302 175.328 0.141 0.000 1.108 247 H CA 1.778 57.887 56.048 0.102 0.000 1.273 247 H CB -0.637 29.182 29.762 0.096 0.000 1.367 247 H HN 0.167 nan 8.280 nan 0.000 0.498 248 V N 0.576 120.532 119.914 0.070 0.000 2.307 248 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 248 V C 2.769 178.933 176.094 0.116 0.000 1.045 248 V CA 1.779 64.122 62.300 0.071 0.000 1.024 248 V CB -0.680 31.360 31.823 0.363 0.000 0.651 248 V HN 0.405 nan 8.190 nan 0.000 0.449 249 L N -0.597 120.755 121.223 0.214 0.000 2.127 249 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 249 L C 2.356 179.360 176.870 0.223 0.000 1.089 249 L CA 1.367 56.339 54.840 0.220 0.000 0.757 249 L CB -0.552 41.609 42.059 0.171 0.000 0.899 249 L HN 0.310 nan 8.230 nan 0.000 0.434 250 L N -1.315 119.999 121.223 0.151 0.000 2.275 250 L HA -0.133 4.206 4.340 -0.000 0.000 0.215 250 L C 2.303 179.268 176.870 0.157 0.000 1.119 250 L CA 0.682 55.628 54.840 0.175 0.000 0.790 250 L CB -0.221 41.903 42.059 0.108 0.000 0.919 250 L HN 0.109 nan 8.230 nan 0.000 0.443 251 S N -1.637 114.103 115.700 0.067 0.000 2.593 251 S HA -0.016 4.454 4.470 -0.000 0.000 0.217 251 S C 0.953 175.583 174.600 0.050 0.000 0.966 251 S CA 0.038 58.256 58.200 0.030 0.000 0.914 251 S CB -0.144 63.023 63.200 -0.056 0.000 0.776 251 S HN 0.310 nan 8.310 nan 0.000 0.523 252 T N 3.399 118.009 114.554 0.093 0.000 2.867 252 T HA 0.090 4.440 4.350 -0.000 0.000 0.297 252 T C -1.752 172.964 174.700 0.027 0.000 0.989 252 T CA -1.405 60.738 62.100 0.071 0.000 1.159 252 T CB 0.775 69.723 68.868 0.134 0.000 0.928 252 T HN 0.054 nan 8.240 nan 0.000 0.538 253 P HA -0.077 nan 4.420 nan 0.000 0.217 253 P C 1.158 178.431 177.300 -0.045 0.000 1.148 253 P CA 1.007 64.094 63.100 -0.021 0.000 0.828 253 P CB 0.017 31.703 31.700 -0.024 0.000 0.783 254 A N -1.066 121.715 122.820 -0.065 0.000 2.067 254 A HA -0.074 4.245 4.320 -0.000 0.000 0.219 254 A C 1.773 179.284 177.584 -0.121 0.000 1.158 254 A CA 1.124 53.099 52.037 -0.104 0.000 0.661 254 A CB -1.207 17.705 19.000 -0.146 0.000 0.801 254 A HN 0.200 nan 8.150 nan 0.000 0.452 255 L N -0.288 120.882 121.223 -0.089 0.000 2.965 255 L HA 0.188 4.528 4.340 -0.000 0.000 0.254 255 L C -0.165 176.632 176.870 -0.121 0.000 1.220 255 L CA -0.420 54.341 54.840 -0.131 0.000 1.023 255 L CB -0.058 42.004 42.059 0.005 0.000 1.355 255 L HN 0.204 nan 8.230 nan 0.000 0.545 256 D N 0.893 121.246 120.400 -0.078 0.000 2.383 256 D HA 0.344 4.984 4.640 -0.000 0.000 0.252 256 D C 1.156 177.413 176.300 -0.070 0.000 1.166 256 D CA 0.864 54.836 54.000 -0.046 0.000 0.879 256 D CB 0.941 41.722 40.800 -0.032 0.000 1.164 256 D HN 0.268 nan 8.370 nan 0.000 0.462 257 A N 2.416 125.210 122.820 -0.043 0.000 3.172 257 A HA -0.221 4.099 4.320 -0.000 0.000 0.263 257 A C 1.573 179.105 177.584 -0.086 0.000 1.215 257 A CA 1.057 53.070 52.037 -0.040 0.000 1.065 257 A CB -1.974 17.004 19.000 -0.036 0.000 1.148 257 A HN 0.477 nan 8.150 nan 0.000 0.904 258 V N -1.307 118.487 119.914 -0.200 0.000 2.535 258 V HA 0.109 4.229 4.120 -0.000 0.000 0.246 258 V C 1.158 177.071 176.094 -0.302 0.000 1.045 258 V CA 1.753 63.843 62.300 -0.351 0.000 1.058 258 V CB -0.374 31.039 31.823 -0.684 0.000 0.689 258 V HN 0.514 nan 8.190 nan 0.000 0.461 259 F N 0.924 120.888 119.950 0.025 0.000 2.379 259 F HA 0.447 4.974 4.527 -0.000 0.000 0.332 259 F C 1.041 176.868 175.800 0.045 0.000 1.096 259 F CA -1.151 56.872 58.000 0.038 0.000 1.105 259 F CB 0.593 39.620 39.000 0.046 0.000 1.189 259 F HN -0.030 nan 8.300 nan 0.000 0.515 260 T N -1.863 112.851 114.554 0.268 0.000 2.868 260 T HA 0.121 4.470 4.350 -0.000 0.000 0.292 260 T C 0.832 175.649 174.700 0.194 0.000 1.028 260 T CA -0.742 61.468 62.100 0.182 0.000 1.059 260 T CB 0.829 69.793 68.868 0.161 0.000 0.991 260 T HN 0.494 nan 8.240 nan 0.000 0.531 261 D N 0.249 120.760 120.400 0.185 0.000 2.123 261 D HA -0.103 4.536 4.640 -0.000 0.000 0.196 261 D C 1.969 178.482 176.300 0.355 0.000 0.992 261 D CA 0.890 55.037 54.000 0.246 0.000 0.833 261 D CB -0.309 40.600 40.800 0.181 0.000 0.954 261 D HN 0.456 nan 8.370 nan 0.000 0.455 262 L N 1.339 122.788 121.223 0.377 0.000 2.079 262 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 262 L C 1.947 178.820 176.870 0.005 0.000 1.081 262 L CA 1.780 56.693 54.840 0.121 0.000 0.752 262 L CB -0.319 41.803 42.059 0.104 0.000 0.896 262 L HN -0.047 nan 8.230 nan 0.000 0.433 263 E N -0.747 119.497 120.200 0.073 0.000 2.152 263 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 263 E C 2.238 178.808 176.600 -0.049 0.000 0.983 263 E CA 1.284 57.694 56.400 0.017 0.000 0.818 263 E CB -0.107 29.638 29.700 0.076 0.000 0.758 263 E HN 0.559 nan 8.360 nan 0.000 0.467 264 I N 0.516 121.092 120.570 0.010 0.000 2.252 264 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 264 I C 2.290 178.399 176.117 -0.013 0.000 1.102 264 I CA 0.442 61.740 61.300 -0.004 0.000 1.385 264 I CB -0.081 37.955 38.000 0.061 0.000 1.064 264 I HN 0.160 nan 8.210 nan 0.000 0.414 265 L N 1.139 122.344 121.223 -0.030 0.000 2.013 265 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 265 L C 2.552 179.453 176.870 0.050 0.000 1.073 265 L CA 2.270 57.073 54.840 -0.062 0.000 0.753 265 L CB -0.803 41.072 42.059 -0.307 0.000 0.890 265 L HN 0.223 nan 8.230 nan 0.000 0.432 266 A N -0.568 122.243 122.820 -0.014 0.000 1.858 266 A HA -0.136 4.183 4.320 -0.000 0.000 0.216 266 A C 2.459 180.119 177.584 0.127 0.000 1.190 266 A CA 2.142 54.210 52.037 0.052 0.000 0.617 266 A CB -1.349 17.650 19.000 -0.000 0.000 0.827 266 A HN 0.589 nan 8.150 nan 0.000 0.443 267 A N -0.301 122.541 122.820 0.037 0.000 1.902 267 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 267 A C 2.131 179.763 177.584 0.080 0.000 1.181 267 A CA 1.624 53.669 52.037 0.014 0.000 0.623 267 A CB -0.616 18.331 19.000 -0.087 0.000 0.818 267 A HN 0.521 nan 8.150 nan 0.000 0.443 268 I N -2.159 118.494 120.570 0.138 0.000 2.286 268 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 268 I C 2.317 178.618 176.117 0.305 0.000 1.104 268 I CA 1.232 62.661 61.300 0.215 0.000 1.397 268 I CB -0.323 37.825 38.000 0.248 0.000 1.072 268 I HN 0.423 nan 8.210 nan 0.000 0.417 269 F N 2.036 122.126 119.950 0.233 0.000 2.134 269 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 269 F C 2.457 178.349 175.800 0.154 0.000 1.097 269 F CA 1.339 59.482 58.000 0.237 0.000 1.264 269 F CB -0.343 38.826 39.000 0.281 0.000 1.001 269 F HN -0.004 nan 8.300 nan 0.000 0.479 270 A N 0.629 123.527 122.820 0.130 0.000 1.877 270 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 270 A C 2.474 180.058 177.584 0.000 0.000 1.186 270 A CA 1.988 54.044 52.037 0.032 0.000 0.620 270 A CB -1.662 17.398 19.000 0.100 0.000 0.822 270 A HN 0.525 nan 8.150 nan 0.000 0.443 271 A N -0.088 122.730 122.820 -0.003 0.000 1.892 271 A HA 0.024 4.343 4.320 -0.000 0.000 0.218 271 A C 2.531 180.158 177.584 0.072 0.000 1.188 271 A CA 2.634 54.642 52.037 -0.050 0.000 0.631 271 A CB -1.139 17.831 19.000 -0.050 0.000 0.822 271 A HN 1.172 nan 8.150 nan 0.000 0.447 272 A N 0.253 123.081 122.820 0.014 0.000 1.902 272 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 272 A C 2.079 179.673 177.584 0.017 0.000 1.181 272 A CA 1.562 53.595 52.037 -0.008 0.000 0.623 272 A CB -0.716 18.273 19.000 -0.019 0.000 0.818 272 A HN 1.097 nan 8.150 nan 0.000 0.443 273 I N -2.844 117.641 120.570 -0.141 0.000 3.578 273 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 273 I C 1.965 178.052 176.117 -0.050 0.000 1.280 273 I CA 0.948 62.159 61.300 -0.147 0.000 1.347 273 I CB -0.588 37.167 38.000 -0.407 0.000 1.051 273 I HN 0.511 nan 8.210 nan 0.000 0.460 274 H N 0.623 119.664 119.070 -0.048 0.000 2.518 274 H HA -0.095 4.461 4.556 -0.000 0.000 0.289 274 H C 0.005 175.268 175.328 -0.108 0.000 1.051 274 H CA 1.327 57.373 56.048 -0.004 0.000 1.280 274 H CB -0.173 29.608 29.762 0.031 0.000 1.380 274 H HN 0.417 nan 8.280 nan 0.000 0.566 275 D N 0.957 120.889 120.400 -0.780 0.000 2.636 275 D HA 0.115 4.755 4.640 -0.000 0.000 0.270 275 D C -0.293 175.370 176.300 -1.062 0.000 1.430 275 D CA -0.273 53.070 54.000 -1.095 0.000 0.796 275 D CB 0.812 41.420 40.800 -0.319 0.000 1.117 275 D HN 0.117 nan 8.370 nan 0.000 0.480 276 V N 1.331 120.622 119.914 -1.039 0.000 2.655 276 V HA 0.050 4.170 4.120 -0.000 0.000 0.300 276 V C 0.629 176.403 176.094 -0.533 0.000 1.044 276 V CA 0.613 62.170 62.300 -1.238 0.000 1.095 276 V CB 0.945 32.316 31.823 -0.752 0.000 0.952 276 V HN 0.367 nan 8.190 nan 0.000 0.485 277 D N 3.152 123.251 120.400 -0.503 0.000 2.870 277 D HA -0.220 4.419 4.640 -0.000 0.000 0.228 277 D C 0.030 176.237 176.300 -0.154 0.000 1.147 277 D CA 1.186 55.066 54.000 -0.200 0.000 0.757 277 D CB -1.437 39.425 40.800 0.103 0.000 1.091 277 D HN 0.861 nan 8.370 nan 0.000 0.429 278 H N -0.067 118.808 119.070 -0.326 0.000 2.848 278 H HA 0.211 4.767 4.556 -0.000 0.000 0.317 278 H C -1.573 173.642 175.328 -0.188 0.000 1.046 278 H CA -0.815 55.175 56.048 -0.098 0.000 1.470 278 H CB 1.361 31.071 29.762 -0.086 0.000 1.483 278 H HN 0.103 nan 8.280 nan 0.000 0.548 279 P HA 0.110 nan 4.420 nan 0.000 0.249 279 P C 0.620 178.070 177.300 0.251 0.000 1.229 279 P CA 1.067 64.283 63.100 0.194 0.000 0.788 279 P CB 0.563 32.324 31.700 0.101 0.000 1.072 280 G N -0.239 108.822 108.800 0.434 0.000 2.141 280 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.242 280 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.242 280 G C 0.005 174.982 174.900 0.129 0.000 0.982 280 G CA 0.072 45.323 45.100 0.252 0.000 0.662 280 G HN 0.551 nan 8.290 nan 0.000 0.527 281 V N -1.796 118.179 119.914 0.101 0.000 2.962 281 V HA 0.951 5.071 4.120 -0.000 0.000 0.313 281 V C 0.531 176.633 176.094 0.014 0.000 1.099 281 V CA -0.134 62.098 62.300 -0.112 0.000 0.971 281 V CB 1.554 33.126 31.823 -0.419 0.000 1.028 281 V HN 1.363 nan 8.190 nan 0.000 0.430 282 S N 1.903 117.597 115.700 -0.010 0.000 2.624 282 S HA 0.290 4.759 4.470 -0.000 0.000 0.263 282 S C 0.766 175.394 174.600 0.048 0.000 1.287 282 S CA -0.144 58.068 58.200 0.020 0.000 0.990 282 S CB 0.517 63.700 63.200 -0.028 0.000 0.950 282 S HN 0.806 nan 8.310 nan 0.000 0.561 283 N N 0.678 119.389 118.700 0.019 0.000 2.120 283 N HA -0.130 4.609 4.740 -0.000 0.000 0.188 283 N C 1.716 177.250 175.510 0.039 0.000 1.024 283 N CA 1.384 54.441 53.050 0.012 0.000 0.852 283 N CB -0.743 37.742 38.487 -0.002 0.000 1.003 283 N HN 0.727 nan 8.380 nan 0.000 0.424 284 Q N 0.031 119.857 119.800 0.044 0.000 2.124 284 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 284 Q C 1.760 177.794 176.000 0.058 0.000 0.977 284 Q CA 0.999 56.824 55.803 0.037 0.000 0.850 284 Q CB -0.494 28.259 28.738 0.025 0.000 0.901 284 Q HN 0.386 nan 8.270 nan 0.000 0.429 285 F N -0.348 119.578 119.950 -0.041 0.000 2.146 285 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 285 F C 1.500 177.283 175.800 -0.028 0.000 1.096 285 F CA 1.142 59.122 58.000 -0.033 0.000 1.275 285 F CB -0.099 38.881 39.000 -0.033 0.000 1.008 285 F HN 0.078 nan 8.300 nan 0.000 0.480 286 L N -0.159 121.186 121.223 0.204 0.000 2.046 286 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 286 L C 2.431 179.286 176.870 -0.025 0.000 1.077 286 L CA 1.421 56.312 54.840 0.086 0.000 0.747 286 L CB -0.691 41.408 42.059 0.067 0.000 0.896 286 L HN 0.174 nan 8.230 nan 0.000 0.432 287 I N -0.086 120.470 120.570 -0.023 0.000 2.202 287 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 287 I C 2.117 178.186 176.117 -0.081 0.000 1.091 287 I CA 1.119 62.395 61.300 -0.039 0.000 1.368 287 I CB -0.412 37.576 38.000 -0.020 0.000 1.058 287 I HN 0.322 nan 8.210 nan 0.000 0.410 288 N N 0.357 118.985 118.700 -0.119 0.000 2.289 288 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 288 N C 1.714 177.099 175.510 -0.208 0.000 1.016 288 N CA 1.861 54.819 53.050 -0.153 0.000 0.872 288 N CB -0.552 37.831 38.487 -0.173 0.000 0.973 288 N HN 0.476 nan 8.380 nan 0.000 0.433 289 T N -2.274 112.109 114.554 -0.285 0.000 3.107 289 T HA 0.112 4.462 4.350 -0.000 0.000 0.249 289 T C 0.310 174.925 174.700 -0.142 0.000 1.096 289 T CA -0.339 61.599 62.100 -0.271 0.000 1.012 289 T CB -0.022 68.595 68.868 -0.418 0.000 0.977 289 T HN 0.015 nan 8.240 nan 0.000 0.527 290 N N 1.939 120.576 118.700 -0.105 0.000 2.725 290 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 290 N C 0.164 175.643 175.510 -0.051 0.000 1.103 290 N CA 1.047 54.058 53.050 -0.066 0.000 0.707 290 N CB -2.040 36.412 38.487 -0.058 0.000 1.043 290 N HN 0.912 nan 8.380 nan 0.000 0.553 291 S N -0.655 115.017 115.700 -0.046 0.000 2.569 291 S HA 0.070 4.540 4.470 -0.000 0.000 0.274 291 S C 1.425 176.007 174.600 -0.031 0.000 1.353 291 S CA -0.260 57.926 58.200 -0.023 0.000 1.023 291 S CB 1.462 64.664 63.200 0.003 0.000 0.876 291 S HN 0.143 nan 8.310 nan 0.000 0.540 292 E N 0.989 121.169 120.200 -0.033 0.000 2.085 292 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 292 E C 1.932 178.491 176.600 -0.068 0.000 0.994 292 E CA 1.185 57.556 56.400 -0.049 0.000 0.801 292 E CB -0.410 29.263 29.700 -0.045 0.000 0.743 292 E HN 0.706 nan 8.360 nan 0.000 0.453 293 L N 0.336 121.521 121.223 -0.063 0.000 2.083 293 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 293 L C 2.525 179.408 176.870 0.022 0.000 1.083 293 L CA 1.134 55.948 54.840 -0.043 0.000 0.752 293 L CB -0.429 41.582 42.059 -0.081 0.000 0.899 293 L HN 0.084 nan 8.230 nan 0.000 0.433 294 A N -0.179 122.644 122.820 0.005 0.000 1.897 294 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 294 A C 2.205 179.788 177.584 -0.002 0.000 1.181 294 A CA 1.051 53.099 52.037 0.019 0.000 0.620 294 A CB -0.516 18.483 19.000 -0.002 0.000 0.821 294 A HN 0.339 nan 8.150 nan 0.000 0.443 295 L N -1.143 120.059 121.223 -0.036 0.000 2.046 295 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 295 L C 2.827 179.645 176.870 -0.088 0.000 1.077 295 L CA 1.894 56.703 54.840 -0.051 0.000 0.747 295 L CB -0.511 41.516 42.059 -0.055 0.000 0.896 295 L HN 0.607 nan 8.230 nan 0.000 0.432 296 M N -0.829 118.680 119.600 -0.152 0.000 2.086 296 M HA -0.243 4.237 4.480 -0.000 0.000 0.261 296 M C 1.467 177.530 176.300 -0.395 0.000 1.067 296 M CA 1.984 57.094 55.300 -0.317 0.000 1.116 296 M CB -0.040 32.267 32.600 -0.488 0.000 1.348 296 M HN 0.093 nan 8.290 nan 0.000 0.407 297 Y N 1.038 121.324 120.300 -0.023 0.000 2.524 297 Y HA 0.259 4.808 4.550 -0.000 0.000 0.266 297 Y C 0.318 176.207 175.900 -0.019 0.000 1.180 297 Y CA -0.501 57.588 58.100 -0.018 0.000 1.244 297 Y CB -0.395 38.050 38.460 -0.024 0.000 1.125 297 Y HN 0.393 nan 8.280 nan 0.000 0.524 298 N N 1.331 120.073 118.700 0.070 0.000 2.727 298 N HA -0.251 4.489 4.740 -0.000 0.000 0.249 298 N C -0.561 174.977 175.510 0.046 0.000 1.048 298 N CA 1.346 54.421 53.050 0.042 0.000 0.714 298 N CB -1.080 37.428 38.487 0.035 0.000 0.959 298 N HN 0.498 nan 8.380 nan 0.000 0.544 299 D N -2.171 118.260 120.400 0.050 0.000 3.006 299 D HA -0.213 4.427 4.640 -0.000 0.000 0.208 299 D C 0.168 176.486 176.300 0.030 0.000 1.116 299 D CA 1.736 55.755 54.000 0.032 0.000 0.998 299 D CB -0.708 40.101 40.800 0.014 0.000 1.124 299 D HN 0.645 nan 8.370 nan 0.000 0.413 300 E N 0.316 120.542 120.200 0.044 0.000 2.109 300 E HA 0.462 4.811 4.350 -0.000 0.000 0.278 300 E C -0.285 176.308 176.600 -0.012 0.000 0.954 300 E CA -0.400 56.012 56.400 0.020 0.000 0.779 300 E CB 0.701 30.417 29.700 0.027 0.000 1.093 300 E HN 0.056 nan 8.360 nan 0.000 0.401 301 S N 2.647 118.329 115.700 -0.029 0.000 3.410 301 S HA -0.173 4.297 4.470 -0.000 0.000 0.369 301 S C 1.311 175.826 174.600 -0.142 0.000 0.961 301 S CA 0.454 58.614 58.200 -0.067 0.000 1.248 301 S CB -1.445 61.715 63.200 -0.066 0.000 0.914 301 S HN 0.480 nan 8.310 nan 0.000 0.497 302 V N 0.668 120.524 119.914 -0.098 0.000 2.231 302 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 302 V C 2.249 178.189 176.094 -0.257 0.000 1.054 302 V CA 2.572 64.807 62.300 -0.108 0.000 1.015 302 V CB -0.492 31.325 31.823 -0.010 0.000 0.638 302 V HN 0.696 nan 8.190 nan 0.000 0.444 303 L N -0.665 120.397 121.223 -0.268 0.000 2.056 303 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 303 L C 2.643 179.068 176.870 -0.743 0.000 1.078 303 L CA 1.486 56.041 54.840 -0.475 0.000 0.749 303 L CB -0.562 41.242 42.059 -0.426 0.000 0.901 303 L HN 0.326 nan 8.230 nan 0.000 0.433 304 E N 0.002 119.962 120.200 -0.400 0.000 2.077 304 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 304 E C 1.978 178.418 176.600 -0.266 0.000 0.989 304 E CA 0.940 57.207 56.400 -0.221 0.000 0.800 304 E CB -0.246 29.429 29.700 -0.042 0.000 0.746 304 E HN 0.344 nan 8.360 nan 0.000 0.452 305 N N -0.145 118.312 118.700 -0.406 0.000 2.120 305 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 305 N C 1.808 177.026 175.510 -0.485 0.000 1.024 305 N CA 1.238 53.961 53.050 -0.544 0.000 0.852 305 N CB -0.233 37.621 38.487 -1.055 0.000 1.003 305 N HN 0.269 nan 8.380 nan 0.000 0.424 306 H N 0.707 119.409 119.070 -0.614 0.000 2.357 306 H HA -0.048 4.507 4.556 -0.000 0.000 0.301 306 H C 1.777 177.029 175.328 -0.127 0.000 1.082 306 H CA 1.721 57.624 56.048 -0.241 0.000 1.342 306 H CB -0.074 29.578 29.762 -0.183 0.000 1.389 306 H HN 0.287 nan 8.280 nan 0.000 0.511 307 H N -0.118 118.875 119.070 -0.128 0.000 2.387 307 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 307 H C 2.553 177.813 175.328 -0.114 0.000 1.090 307 H CA 1.413 57.353 56.048 -0.180 0.000 1.332 307 H CB -0.496 29.200 29.762 -0.110 0.000 1.386 307 H HN 0.364 nan 8.280 nan 0.000 0.516 308 L N 0.058 121.335 121.223 0.089 0.000 2.093 308 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 308 L C 2.818 179.835 176.870 0.244 0.000 1.085 308 L CA 0.882 55.846 54.840 0.207 0.000 0.755 308 L CB -0.439 41.738 42.059 0.196 0.000 0.904 308 L HN 0.221 nan 8.230 nan 0.000 0.435 309 A N -0.270 122.609 122.820 0.098 0.000 1.858 309 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 309 A C 2.318 179.944 177.584 0.070 0.000 1.190 309 A CA 1.930 54.038 52.037 0.119 0.000 0.617 309 A CB -0.900 18.186 19.000 0.144 0.000 0.827 309 A HN 0.171 nan 8.150 nan 0.000 0.443 310 V N 0.085 119.939 119.914 -0.101 0.000 2.287 310 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 310 V C 2.861 178.908 176.094 -0.080 0.000 1.053 310 V CA 2.045 64.256 62.300 -0.148 0.000 1.027 310 V CB -1.668 29.984 31.823 -0.285 0.000 0.646 310 V HN 0.622 nan 8.190 nan 0.000 0.447 311 G N -0.738 108.037 108.800 -0.042 0.000 2.476 311 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 311 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 311 G C 1.475 176.432 174.900 0.095 0.000 1.164 311 G CA 1.114 46.206 45.100 -0.013 0.000 0.768 311 G HN 0.484 nan 8.290 nan 0.000 0.560 312 F N 0.529 120.607 119.950 0.212 0.000 2.293 312 F HA 0.220 4.746 4.527 -0.000 0.000 0.297 312 F C 2.637 178.528 175.800 0.152 0.000 1.089 312 F CA 0.953 59.090 58.000 0.228 0.000 1.377 312 F CB 0.082 39.189 39.000 0.178 0.000 1.051 312 F HN -0.001 nan 8.300 nan 0.000 0.511 313 K N 0.422 120.959 120.400 0.228 0.000 2.147 313 K HA -0.102 4.217 4.320 -0.000 0.000 0.205 313 K C 1.852 178.510 176.600 0.095 0.000 1.049 313 K CA 0.977 57.345 56.287 0.134 0.000 0.936 313 K CB -0.299 32.247 32.500 0.076 0.000 0.722 313 K HN 0.253 nan 8.250 nan 0.000 0.446 314 L N 0.525 121.786 121.223 0.063 0.000 2.362 314 L HA -0.122 4.218 4.340 -0.000 0.000 0.219 314 L C 1.666 178.658 176.870 0.205 0.000 1.134 314 L CA 0.678 55.537 54.840 0.031 0.000 0.807 314 L CB -0.285 41.670 42.059 -0.173 0.000 0.927 314 L HN 0.189 nan 8.230 nan 0.000 0.447 315 L N -0.819 120.559 121.223 0.258 0.000 2.478 315 L HA -0.063 4.277 4.340 -0.000 0.000 0.223 315 L C 1.077 178.021 176.870 0.123 0.000 1.140 315 L CA 0.153 55.092 54.840 0.165 0.000 0.842 315 L CB -0.219 41.902 42.059 0.103 0.000 0.953 315 L HN 0.234 nan 8.230 nan 0.000 0.452 316 Q N 1.345 121.220 119.800 0.125 0.000 3.179 316 Q HA 0.207 4.547 4.340 -0.000 0.000 0.328 316 Q C -0.672 175.376 176.000 0.080 0.000 1.336 316 Q CA 0.310 56.173 55.803 0.100 0.000 0.939 316 Q CB -0.044 28.752 28.738 0.096 0.000 1.658 316 Q HN 0.241 nan 8.270 nan 0.000 0.486 317 E N -0.517 119.731 120.200 0.080 0.000 2.683 317 E HA 0.030 4.380 4.350 -0.000 0.000 0.339 317 E C -0.004 176.647 176.600 0.084 0.000 0.921 317 E CA -0.058 56.389 56.400 0.080 0.000 0.786 317 E CB 0.630 30.378 29.700 0.080 0.000 1.363 317 E HN 0.172 nan 8.360 nan 0.000 0.401 318 E N 2.428 122.671 120.200 0.071 0.000 2.136 318 E HA -0.269 4.081 4.350 -0.000 0.000 0.202 318 E C 0.501 177.118 176.600 0.027 0.000 1.019 318 E CA 1.201 57.625 56.400 0.040 0.000 0.819 318 E CB 0.059 29.773 29.700 0.022 0.000 0.739 318 E HN 0.515 nan 8.360 nan 0.000 0.458 322 I N -1.343 118.955 120.570 -0.453 0.000 3.001 322 I HA 0.099 4.269 4.170 -0.000 0.000 0.268 322 I C 0.385 176.233 176.117 -0.447 0.000 1.267 322 I CA 0.589 61.590 61.300 -0.498 0.000 1.472 322 I CB -0.292 37.289 38.000 -0.699 0.000 1.089 322 I HN 0.004 nan 8.210 nan 0.000 0.468 323 F N 1.440 121.308 119.950 -0.136 0.000 2.639 323 F HA 0.338 4.865 4.527 -0.000 0.000 0.302 323 F C 1.964 177.738 175.800 -0.043 0.000 1.097 323 F CA -0.495 57.435 58.000 -0.117 0.000 1.294 323 F CB -0.264 38.622 39.000 -0.191 0.000 1.027 323 F HN 0.106 nan 8.300 nan 0.000 0.550 324 M N -0.447 119.210 119.600 0.094 0.000 2.358 324 M HA -0.095 4.384 4.480 -0.000 0.000 0.264 324 M C 0.391 176.741 176.300 0.083 0.000 1.064 324 M CA 1.877 57.222 55.300 0.075 0.000 1.093 324 M CB -0.103 32.518 32.600 0.036 0.000 1.401 324 M HN -0.099 nan 8.290 nan 0.000 0.440 325 N N 0.745 119.509 118.700 0.107 0.000 2.205 325 N HA 0.314 5.054 4.740 -0.000 0.000 0.201 325 N C -0.070 175.523 175.510 0.139 0.000 1.128 325 N CA 0.075 53.190 53.050 0.108 0.000 0.867 325 N CB 0.354 38.901 38.487 0.101 0.000 0.996 325 N HN 0.359 nan 8.380 nan 0.000 0.503 326 L N 0.929 122.245 121.223 0.155 0.000 2.464 326 L HA 0.163 4.503 4.340 -0.000 0.000 0.264 326 L C 0.918 177.840 176.870 0.087 0.000 1.199 326 L CA 0.201 55.127 54.840 0.143 0.000 0.818 326 L CB 0.233 42.330 42.059 0.064 0.000 1.102 326 L HN -0.032 nan 8.230 nan 0.000 0.473 327 T N 0.652 115.249 114.554 0.072 0.000 2.802 327 T HA -0.021 4.329 4.350 -0.000 0.000 0.305 327 T C 1.147 175.862 174.700 0.024 0.000 1.053 327 T CA -0.306 61.820 62.100 0.044 0.000 1.058 327 T CB 0.978 69.868 68.868 0.036 0.000 0.988 327 T HN 0.576 nan 8.240 nan 0.000 0.539 328 K N 0.682 121.092 120.400 0.017 0.000 2.063 328 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 328 K C 2.153 178.747 176.600 -0.010 0.000 1.048 328 K CA 1.527 57.817 56.287 0.006 0.000 0.928 328 K CB -0.073 32.431 32.500 0.006 0.000 0.713 328 K HN 0.274 nan 8.250 nan 0.000 0.442 329 K N 1.162 121.557 120.400 -0.008 0.000 2.032 329 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 329 K C 2.013 178.594 176.600 -0.031 0.000 1.048 329 K CA 1.862 58.137 56.287 -0.020 0.000 0.927 329 K CB -0.205 32.288 32.500 -0.013 0.000 0.712 329 K HN 0.281 nan 8.250 nan 0.000 0.441 330 Q N -0.228 119.561 119.800 -0.019 0.000 2.135 330 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 330 Q C 2.251 178.186 176.000 -0.109 0.000 0.981 330 Q CA 1.624 57.403 55.803 -0.041 0.000 0.856 330 Q CB -0.141 28.599 28.738 0.003 0.000 0.902 330 Q HN 0.267 nan 8.270 nan 0.000 0.425 331 R N 0.432 120.875 120.500 -0.095 0.000 2.070 331 R HA -0.177 4.163 4.340 -0.000 0.000 0.233 331 R C 2.374 178.611 176.300 -0.104 0.000 1.137 331 R CA 1.472 57.497 56.100 -0.125 0.000 0.945 331 R CB -0.325 29.950 30.300 -0.042 0.000 0.845 331 R HN 0.357 nan 8.270 nan 0.000 0.430 332 Q N 0.178 119.934 119.800 -0.074 0.000 2.077 332 Q HA -0.178 4.161 4.340 -0.000 0.000 0.206 332 Q C 1.684 177.632 176.000 -0.086 0.000 0.989 332 Q CA 2.360 58.118 55.803 -0.075 0.000 0.853 332 Q CB -0.014 28.686 28.738 -0.063 0.000 0.907 332 Q HN 0.303 nan 8.270 nan 0.000 0.418 333 T N 1.714 116.215 114.554 -0.089 0.000 2.708 333 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 333 T C 1.814 176.478 174.700 -0.061 0.000 1.037 333 T CA 1.264 63.312 62.100 -0.087 0.000 1.146 333 T CB -0.318 68.503 68.868 -0.078 0.000 0.865 333 T HN 0.342 nan 8.240 nan 0.000 0.435 334 L N 0.762 121.916 121.223 -0.115 0.000 2.046 334 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 334 L C 2.738 179.591 176.870 -0.027 0.000 1.077 334 L CA 1.578 56.330 54.840 -0.147 0.000 0.747 334 L CB -0.245 41.571 42.059 -0.405 0.000 0.896 334 L HN 0.090 nan 8.230 nan 0.000 0.432 335 R N 0.134 120.620 120.500 -0.023 0.000 2.080 335 R HA -0.262 4.078 4.340 -0.000 0.000 0.236 335 R C 2.498 178.800 176.300 0.004 0.000 1.137 335 R CA 2.204 58.314 56.100 0.015 0.000 0.943 335 R CB -0.331 29.874 30.300 -0.158 0.000 0.846 335 R HN 0.372 nan 8.270 nan 0.000 0.431 336 K N 0.229 120.618 120.400 -0.018 0.000 2.032 336 K HA -0.196 4.123 4.320 -0.000 0.000 0.209 336 K C 2.134 178.790 176.600 0.092 0.000 1.048 336 K CA 2.004 58.300 56.287 0.015 0.000 0.927 336 K CB -0.117 32.377 32.500 -0.010 0.000 0.712 336 K HN 0.230 nan 8.250 nan 0.000 0.441 337 M N 0.463 120.135 119.600 0.121 0.000 2.080 337 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 337 M C 2.241 178.619 176.300 0.130 0.000 1.068 337 M CA 1.453 56.841 55.300 0.147 0.000 1.109 337 M CB -0.162 32.516 32.600 0.131 0.000 1.342 337 M HN 0.030 nan 8.290 nan 0.000 0.405 338 V N 0.510 120.531 119.914 0.178 0.000 2.358 338 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 338 V C 2.193 178.424 176.094 0.228 0.000 1.047 338 V CA 1.633 64.085 62.300 0.253 0.000 1.035 338 V CB -0.497 31.598 31.823 0.454 0.000 0.658 338 V HN 0.404 nan 8.190 nan 0.000 0.452 339 I N 0.286 120.973 120.570 0.196 0.000 2.163 339 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 339 I C 2.522 178.693 176.117 0.090 0.000 1.085 339 I CA 2.097 63.471 61.300 0.123 0.000 1.347 339 I CB -0.444 37.576 38.000 0.033 0.000 1.044 339 I HN 0.411 nan 8.210 nan 0.000 0.408 340 D N 0.828 121.277 120.400 0.082 0.000 2.092 340 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 340 D C 2.304 178.634 176.300 0.050 0.000 0.994 340 D CA 1.839 55.876 54.000 0.062 0.000 0.828 340 D CB -0.072 40.774 40.800 0.076 0.000 0.963 340 D HN 0.249 nan 8.370 nan 0.000 0.450 341 M N -0.193 119.443 119.600 0.060 0.000 2.086 341 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 341 M C 2.474 178.810 176.300 0.060 0.000 1.067 341 M CA 0.878 56.203 55.300 0.042 0.000 1.116 341 M CB -0.124 32.498 32.600 0.037 0.000 1.348 341 M HN -0.065 nan 8.290 nan 0.000 0.407 342 V N 0.762 120.736 119.914 0.100 0.000 2.358 342 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 342 V C 2.275 178.432 176.094 0.105 0.000 1.047 342 V CA 1.502 63.883 62.300 0.135 0.000 1.035 342 V CB -0.649 31.277 31.823 0.171 0.000 0.658 342 V HN 0.467 nan 8.190 nan 0.000 0.452 343 L N 0.279 121.541 121.223 0.064 0.000 2.131 343 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 343 L C 2.574 179.454 176.870 0.016 0.000 1.092 343 L CA 1.372 56.229 54.840 0.029 0.000 0.759 343 L CB -0.702 41.363 42.059 0.011 0.000 0.903 343 L HN 0.375 nan 8.230 nan 0.000 0.435 344 A N -0.218 122.607 122.820 0.008 0.000 2.172 344 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 344 A C 2.199 179.745 177.584 -0.063 0.000 1.154 344 A CA 1.589 53.599 52.037 -0.045 0.000 0.701 344 A CB -0.749 18.220 19.000 -0.053 0.000 0.789 344 A HN 0.518 nan 8.150 nan 0.000 0.465 345 T N -2.503 112.080 114.554 0.047 0.000 3.148 345 T HA 0.034 4.384 4.350 -0.000 0.000 0.253 345 T C 0.376 175.161 174.700 0.141 0.000 1.134 345 T CA 0.346 62.527 62.100 0.134 0.000 1.051 345 T CB -0.408 68.621 68.868 0.269 0.000 0.959 345 T HN 0.287 nan 8.240 nan 0.000 0.525 346 D N 1.193 121.636 120.400 0.071 0.000 2.371 346 D HA 0.112 4.752 4.640 -0.000 0.000 0.256 346 D C 1.200 177.542 176.300 0.071 0.000 1.193 346 D CA -0.488 53.555 54.000 0.072 0.000 0.881 346 D CB 0.754 41.572 40.800 0.031 0.000 1.143 346 D HN -0.060 nan 8.370 nan 0.000 0.473 347 M N 2.458 122.130 119.600 0.120 0.000 2.358 347 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 347 M C 1.869 178.251 176.300 0.136 0.000 1.064 347 M CA 0.770 56.160 55.300 0.151 0.000 1.093 347 M CB -1.085 31.611 32.600 0.159 0.000 1.401 347 M HN 0.522 nan 8.290 nan 0.000 0.440 348 S N -0.647 115.105 115.700 0.088 0.000 2.555 348 S HA -0.038 4.431 4.470 -0.000 0.000 0.230 348 S C 1.549 176.181 174.600 0.055 0.000 0.978 348 S CA 0.509 58.752 58.200 0.071 0.000 0.934 348 S CB -0.067 63.161 63.200 0.047 0.000 0.766 348 S HN 0.317 nan 8.310 nan 0.000 0.533 349 K N 0.627 121.048 120.400 0.036 0.000 2.356 349 K HA 0.117 4.437 4.320 -0.000 0.000 0.195 349 K C 1.628 178.221 176.600 -0.012 0.000 1.037 349 K CA 0.761 57.044 56.287 -0.007 0.000 1.014 349 K CB -0.711 31.757 32.500 -0.053 0.000 0.815 349 K HN 0.616 nan 8.250 nan 0.000 0.507 350 H N 2.020 121.056 119.070 -0.057 0.000 2.292 350 H HA -0.115 4.441 4.556 -0.000 0.000 0.292 350 H C 1.765 177.120 175.328 0.046 0.000 1.100 350 H CA 2.239 58.289 56.048 0.004 0.000 1.238 350 H CB 0.095 29.950 29.762 0.155 0.000 1.355 350 H HN -0.067 nan 8.280 nan 0.000 0.484 351 M N 0.019 119.550 119.600 -0.115 0.000 2.296 351 M HA -0.094 4.385 4.480 -0.000 0.000 0.265 351 M C 2.508 178.737 176.300 -0.118 0.000 1.064 351 M CA 1.538 56.741 55.300 -0.161 0.000 1.109 351 M CB -0.959 31.630 32.600 -0.018 0.000 1.396 351 M HN 0.563 nan 8.290 nan 0.000 0.430 352 S N -0.035 115.619 115.700 -0.076 0.000 2.446 352 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 352 S C 1.882 176.441 174.600 -0.069 0.000 1.016 352 S CA 0.331 58.497 58.200 -0.056 0.000 0.943 352 S CB -0.365 62.815 63.200 -0.033 0.000 0.786 352 S HN 0.265 nan 8.310 nan 0.000 0.508 353 L N 0.887 122.053 121.223 -0.095 0.000 2.056 353 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 353 L C 2.365 179.194 176.870 -0.068 0.000 1.078 353 L CA 1.172 55.966 54.840 -0.078 0.000 0.749 353 L CB -1.094 40.905 42.059 -0.101 0.000 0.901 353 L HN 0.361 nan 8.230 nan 0.000 0.433 354 L N -0.379 120.762 121.223 -0.137 0.000 1.994 354 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 354 L C 2.533 179.359 176.870 -0.073 0.000 1.071 354 L CA 2.181 56.942 54.840 -0.130 0.000 0.745 354 L CB -1.205 40.701 42.059 -0.255 0.000 0.892 354 L HN 0.222 nan 8.230 nan 0.000 0.431 355 A N -1.064 121.713 122.820 -0.072 0.000 1.940 355 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 355 A C 2.024 179.591 177.584 -0.030 0.000 1.176 355 A CA 2.053 54.065 52.037 -0.042 0.000 0.631 355 A CB -0.761 18.217 19.000 -0.036 0.000 0.814 355 A HN 0.592 nan 8.150 nan 0.000 0.446 356 D N -0.880 119.502 120.400 -0.030 0.000 2.213 356 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 356 D C 1.805 178.097 176.300 -0.013 0.000 0.961 356 D CA 0.768 54.756 54.000 -0.020 0.000 0.853 356 D CB -0.121 40.668 40.800 -0.019 0.000 0.967 356 D HN 0.360 nan 8.370 nan 0.000 0.496 357 L N 1.504 122.721 121.223 -0.009 0.000 2.093 357 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 357 L C 1.931 178.795 176.870 -0.011 0.000 1.085 357 L CA 1.649 56.492 54.840 0.005 0.000 0.755 357 L CB -0.199 41.878 42.059 0.031 0.000 0.904 357 L HN -0.190 nan 8.230 nan 0.000 0.435 358 K N -1.296 119.094 120.400 -0.017 0.000 2.025 358 K HA -0.116 4.203 4.320 -0.000 0.000 0.207 358 K C 1.899 178.486 176.600 -0.021 0.000 1.049 358 K CA 1.816 58.091 56.287 -0.020 0.000 0.933 358 K CB -0.399 32.091 32.500 -0.017 0.000 0.714 358 K HN 0.347 nan 8.250 nan 0.000 0.438 359 T N 1.897 116.440 114.554 -0.019 0.000 2.699 359 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 359 T C 1.739 176.425 174.700 -0.023 0.000 1.036 359 T CA 1.683 63.772 62.100 -0.018 0.000 1.147 359 T CB -0.137 68.722 68.868 -0.015 0.000 0.862 359 T HN 0.300 nan 8.240 nan 0.000 0.446 360 M N 0.849 120.435 119.600 -0.024 0.000 2.132 360 M HA -0.078 4.401 4.480 -0.000 0.000 0.263 360 M C 2.126 178.399 176.300 -0.046 0.000 1.065 360 M CA 1.444 56.725 55.300 -0.031 0.000 1.122 360 M CB -0.278 32.306 32.600 -0.027 0.000 1.365 360 M HN 0.057 nan 8.290 nan 0.000 0.411 361 V N 1.163 121.046 119.914 -0.050 0.000 2.392 361 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 361 V C 2.022 178.085 176.094 -0.052 0.000 1.059 361 V CA 2.224 64.485 62.300 -0.065 0.000 1.051 361 V CB -0.926 30.860 31.823 -0.061 0.000 0.658 361 V HN 0.560 nan 8.190 nan 0.000 0.455 362 E N 0.216 120.393 120.200 -0.038 0.000 2.268 362 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 362 E C 1.755 178.336 176.600 -0.031 0.000 0.995 362 E CA 1.611 57.993 56.400 -0.031 0.000 0.836 362 E CB -0.114 29.572 29.700 -0.023 0.000 0.763 362 E HN 0.792 nan 8.360 nan 0.000 0.491 363 T N -1.356 113.177 114.554 -0.034 0.000 3.174 363 T HA 0.111 4.461 4.350 -0.000 0.000 0.269 363 T C 0.414 175.089 174.700 -0.042 0.000 1.017 363 T CA -0.558 61.522 62.100 -0.033 0.000 0.899 363 T CB 0.190 69.042 68.868 -0.027 0.000 1.077 363 T HN -0.135 nan 8.240 nan 0.000 0.552 364 K N 2.789 123.158 120.400 -0.052 0.000 2.430 364 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 364 K C -0.672 175.892 176.600 -0.060 0.000 1.063 364 K CA 0.432 56.679 56.287 -0.066 0.000 1.071 364 K CB 0.283 32.734 32.500 -0.081 0.000 0.899 364 K HN 0.344 nan 8.250 nan 0.000 0.473 365 K N 4.275 124.638 120.400 -0.062 0.000 2.394 365 K HA 0.213 4.532 4.320 -0.000 0.000 0.260 365 K C -0.574 175.986 176.600 -0.066 0.000 0.967 365 K CA -0.837 55.416 56.287 -0.056 0.000 0.855 365 K CB 1.920 34.392 32.500 -0.047 0.000 1.101 365 K HN 0.475 nan 8.250 nan 0.000 0.433 366 V N 0.624 120.499 119.914 -0.065 0.000 2.459 366 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 366 V C 0.445 176.504 176.094 -0.058 0.000 1.029 366 V CA -0.512 61.745 62.300 -0.070 0.000 0.874 366 V CB 1.290 33.067 31.823 -0.077 0.000 0.985 366 V HN 0.898 nan 8.190 nan 0.000 0.438 367 T N 3.007 117.525 114.554 -0.059 0.000 2.716 367 T HA 0.048 4.398 4.350 -0.000 0.000 0.335 367 T C 1.505 176.178 174.700 -0.044 0.000 1.081 367 T CA 0.550 62.620 62.100 -0.049 0.000 1.073 367 T CB 0.360 69.198 68.868 -0.051 0.000 0.993 367 T HN 1.596 nan 8.240 nan 0.000 0.547 368 S N 0.516 116.194 115.700 -0.036 0.000 2.419 368 S HA -0.164 4.306 4.470 -0.000 0.000 0.235 368 S C 2.094 176.674 174.600 -0.033 0.000 1.019 368 S CA 1.082 59.262 58.200 -0.032 0.000 0.982 368 S CB -1.039 62.145 63.200 -0.027 0.000 0.789 368 S HN 1.093 nan 8.310 nan 0.000 0.490 369 S N 0.820 116.498 115.700 -0.036 0.000 2.603 369 S HA 0.403 4.873 4.470 -0.000 0.000 0.220 369 S C 1.367 175.943 174.600 -0.041 0.000 0.967 369 S CA 0.365 58.544 58.200 -0.036 0.000 0.920 369 S CB -0.684 62.495 63.200 -0.035 0.000 0.773 369 S HN 1.492 nan 8.310 nan 0.000 0.529 370 G N -0.091 108.680 108.800 -0.048 0.000 2.165 370 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.226 370 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.226 370 G C -0.211 174.648 174.900 -0.069 0.000 1.035 370 G CA -0.001 45.066 45.100 -0.055 0.000 0.744 370 G HN 0.709 nan 8.290 nan 0.000 0.501 371 V N 0.730 120.599 119.914 -0.075 0.000 2.769 371 V HA 0.621 4.741 4.120 -0.000 0.000 0.312 371 V C 0.883 176.913 176.094 -0.107 0.000 1.061 371 V CA -1.039 61.205 62.300 -0.093 0.000 0.931 371 V CB 1.980 33.750 31.823 -0.088 0.000 1.010 371 V HN 0.341 nan 8.190 nan 0.000 0.433 372 L N 4.031 125.172 121.223 -0.136 0.000 2.416 372 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 372 L C -0.400 176.390 176.870 -0.134 0.000 1.161 372 L CA -0.258 54.498 54.840 -0.141 0.000 0.845 372 L CB 0.555 42.511 42.059 -0.173 0.000 1.119 372 L HN 0.392 nan 8.230 nan 0.000 0.464 373 L N 5.424 126.584 121.223 -0.106 0.000 2.259 373 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 373 L C -0.481 176.338 176.870 -0.086 0.000 1.051 373 L CA 0.190 54.976 54.840 -0.090 0.000 0.824 373 L CB 0.514 42.533 42.059 -0.067 0.000 1.206 373 L HN 0.382 nan 8.230 nan 0.000 0.429 374 L N 5.196 126.361 121.223 -0.096 0.000 2.277 374 L HA 0.321 4.660 4.340 -0.000 0.000 0.284 374 L C 1.019 177.864 176.870 -0.041 0.000 1.028 374 L CA -0.647 54.149 54.840 -0.073 0.000 0.835 374 L CB 1.048 43.050 42.059 -0.096 0.000 1.215 374 L HN 0.581 nan 8.230 nan 0.000 0.425 375 D N 1.978 122.363 120.400 -0.024 0.000 2.205 375 D HA -0.201 4.438 4.640 -0.000 0.000 0.190 375 D C 0.599 176.908 176.300 0.014 0.000 1.002 375 D CA 2.017 56.013 54.000 -0.006 0.000 0.848 375 D CB 0.280 41.080 40.800 0.000 0.000 0.975 375 D HN 0.583 nan 8.370 nan 0.000 0.449 376 N N -2.924 115.796 118.700 0.033 0.000 3.621 376 N HA 0.014 4.753 4.740 -0.000 0.000 0.345 376 N C 0.433 176.005 175.510 0.103 0.000 1.646 376 N CA -0.607 52.488 53.050 0.075 0.000 0.731 376 N CB -0.335 38.205 38.487 0.088 0.000 2.435 376 N HN -0.096 nan 8.380 nan 0.000 0.613 377 Y N 0.848 121.170 120.300 0.036 0.000 2.114 377 Y HA -0.214 4.336 4.550 -0.000 0.000 0.282 377 Y C 1.894 177.824 175.900 0.050 0.000 1.165 377 Y CA 2.942 61.071 58.100 0.047 0.000 1.148 377 Y CB -0.820 37.660 38.460 0.034 0.000 0.972 377 Y HN 0.518 nan 8.280 nan 0.000 0.504 378 T N 0.165 114.715 114.554 -0.006 0.000 2.684 378 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 378 T C 1.433 176.065 174.700 -0.114 0.000 1.036 378 T CA 1.642 63.695 62.100 -0.078 0.000 1.148 378 T CB -0.403 68.479 68.868 0.023 0.000 0.863 378 T HN 0.436 nan 8.240 nan 0.000 0.436 379 D N 0.907 121.273 120.400 -0.056 0.000 2.117 379 D HA -0.023 4.617 4.640 -0.000 0.000 0.198 379 D C 2.439 178.730 176.300 -0.016 0.000 0.982 379 D CA 0.843 54.824 54.000 -0.033 0.000 0.828 379 D CB -0.191 40.597 40.800 -0.020 0.000 0.967 379 D HN 0.364 nan 8.370 nan 0.000 0.464 380 R N 0.120 120.611 120.500 -0.016 0.000 2.066 380 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 380 R C 2.305 178.636 176.300 0.052 0.000 1.131 380 R CA 0.546 56.724 56.100 0.130 0.000 0.955 380 R CB -0.349 30.066 30.300 0.191 0.000 0.851 380 R HN 0.112 nan 8.270 nan 0.000 0.432 381 I N 1.460 121.895 120.570 -0.226 0.000 2.614 381 I HA -0.217 3.953 4.170 -0.000 0.000 0.258 381 I C 2.402 178.452 176.117 -0.111 0.000 1.189 381 I CA 1.287 62.438 61.300 -0.250 0.000 1.462 381 I CB -0.241 37.441 38.000 -0.531 0.000 1.092 381 I HN 0.159 nan 8.210 nan 0.000 0.442 382 Q N -0.402 119.353 119.800 -0.074 0.000 2.079 382 Q HA -0.142 4.197 4.340 -0.000 0.000 0.200 382 Q C 2.116 178.148 176.000 0.055 0.000 0.974 382 Q CA 1.989 57.784 55.803 -0.014 0.000 0.840 382 Q CB 0.003 28.734 28.738 -0.011 0.000 0.898 382 Q HN 0.382 nan 8.270 nan 0.000 0.430 383 V N 1.019 121.001 119.914 0.114 0.000 2.358 383 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 383 V C 2.285 178.508 176.094 0.214 0.000 1.047 383 V CA 1.456 63.904 62.300 0.247 0.000 1.035 383 V CB -0.494 31.535 31.823 0.344 0.000 0.658 383 V HN 0.387 nan 8.190 nan 0.000 0.452 384 L N -0.688 120.571 121.223 0.059 0.000 2.056 384 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 384 L C 2.787 179.627 176.870 -0.051 0.000 1.078 384 L CA 1.547 56.335 54.840 -0.086 0.000 0.749 384 L CB -0.640 41.287 42.059 -0.220 0.000 0.901 384 L HN 0.206 nan 8.230 nan 0.000 0.433 385 R N 0.124 120.610 120.500 -0.024 0.000 2.083 385 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 385 R C 2.042 178.339 176.300 -0.006 0.000 1.137 385 R CA 1.538 57.627 56.100 -0.018 0.000 0.951 385 R CB -0.445 29.846 30.300 -0.016 0.000 0.851 385 R HN 0.490 nan 8.270 nan 0.000 0.434 386 N N 0.523 119.238 118.700 0.025 0.000 2.396 386 N HA -0.141 4.598 4.740 -0.000 0.000 0.180 386 N C 1.791 177.175 175.510 -0.209 0.000 1.028 386 N CA 0.810 53.870 53.050 0.018 0.000 0.893 386 N CB 0.019 38.580 38.487 0.123 0.000 0.967 386 N HN 0.281 nan 8.380 nan 0.000 0.440 387 M N 0.770 120.226 119.600 -0.240 0.000 2.156 387 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 387 M C 1.723 177.812 176.300 -0.352 0.000 1.067 387 M CA 1.283 56.275 55.300 -0.514 0.000 1.131 387 M CB 0.129 32.588 32.600 -0.235 0.000 1.368 387 M HN -0.165 nan 8.290 nan 0.000 0.416 388 V N -0.021 119.782 119.914 -0.185 0.000 2.548 388 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 388 V C 2.350 178.375 176.094 -0.114 0.000 1.055 388 V CA 2.078 64.288 62.300 -0.150 0.000 1.065 388 V CB -1.265 30.490 31.823 -0.114 0.000 0.681 388 V HN 0.603 nan 8.190 nan 0.000 0.462 389 H N -0.086 118.873 119.070 -0.185 0.000 2.326 389 H HA -0.164 4.392 4.556 -0.000 0.000 0.301 389 H C 2.268 177.484 175.328 -0.186 0.000 1.081 389 H CA 2.199 58.170 56.048 -0.128 0.000 1.334 389 H CB -0.658 29.057 29.762 -0.078 0.000 1.385 389 H HN 0.396 nan 8.280 nan 0.000 0.504 390 C N 0.685 119.699 119.300 -0.477 0.000 2.413 390 C HA -0.068 4.391 4.460 -0.000 0.000 0.276 390 C C 3.136 178.031 174.990 -0.158 0.000 1.236 390 C CA 1.119 59.714 59.018 -0.705 0.000 1.735 390 C CB -1.418 25.466 27.740 -1.427 0.000 2.031 390 C HN 0.776 nan 8.230 nan 0.000 0.474 391 A N 0.368 123.121 122.820 -0.112 0.000 1.917 391 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 391 A C 1.893 179.469 177.584 -0.013 0.000 1.182 391 A CA 2.448 54.502 52.037 0.028 0.000 0.633 391 A CB -0.733 18.232 19.000 -0.058 0.000 0.819 391 A HN 0.563 nan 8.150 nan 0.000 0.448 392 D N -0.385 119.989 120.400 -0.044 0.000 2.144 392 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 392 D C 1.192 177.562 176.300 0.117 0.000 0.984 392 D CA 0.903 54.947 54.000 0.074 0.000 0.834 392 D CB -0.124 40.749 40.800 0.121 0.000 0.955 392 D HN 0.403 nan 8.370 nan 0.000 0.465 393 L N 0.432 121.675 121.223 0.034 0.000 2.912 393 L HA 0.161 4.501 4.340 -0.000 0.000 0.240 393 L C 1.542 178.542 176.870 0.217 0.000 1.262 393 L CA -0.075 54.805 54.840 0.067 0.000 1.058 393 L CB 0.195 42.179 42.059 -0.125 0.000 1.383 393 L HN -0.013 nan 8.230 nan 0.000 0.512 394 S N -2.748 113.071 115.700 0.198 0.000 2.501 394 S HA -0.048 4.421 4.470 -0.000 0.000 0.220 394 S C 1.317 175.885 174.600 -0.054 0.000 0.997 394 S CA 0.165 58.491 58.200 0.210 0.000 0.919 394 S CB -0.285 63.040 63.200 0.208 0.000 0.778 394 S HN 0.520 nan 8.310 nan 0.000 0.523 395 N N 3.084 121.711 118.700 -0.122 0.000 2.069 395 N HA -0.101 4.639 4.740 -0.000 0.000 0.196 395 N C -1.331 174.038 175.510 -0.234 0.000 1.024 395 N CA 1.769 54.724 53.050 -0.159 0.000 0.869 395 N CB -1.008 37.418 38.487 -0.101 0.000 1.035 395 N HN 0.445 nan 8.380 nan 0.000 0.434 396 P HA -0.042 nan 4.420 nan 0.000 0.237 396 P C 0.856 177.853 177.300 -0.506 0.000 1.178 396 P CA 1.109 63.556 63.100 -1.088 0.000 0.766 396 P CB -0.023 31.219 31.700 -0.764 0.000 0.876 397 T N -5.264 109.107 114.554 -0.305 0.000 3.081 397 T HA 0.143 4.493 4.350 -0.000 0.000 0.250 397 T C 0.917 175.661 174.700 0.073 0.000 1.100 397 T CA -0.017 61.970 62.100 -0.188 0.000 1.038 397 T CB -0.195 68.433 68.868 -0.401 0.000 0.962 397 T HN -0.151 nan 8.240 nan 0.000 0.516 398 K N 2.895 123.301 120.400 0.010 0.000 2.117 398 K HA 0.400 4.719 4.320 -0.000 0.000 0.240 398 K C 0.755 177.413 176.600 0.096 0.000 1.031 398 K CA -0.247 56.064 56.287 0.039 0.000 0.909 398 K CB 0.815 33.336 32.500 0.035 0.000 1.097 398 K HN 0.476 nan 8.250 nan 0.000 0.492 399 S N 0.279 116.031 115.700 0.086 0.000 2.563 399 S HA -0.066 4.404 4.470 -0.000 0.000 0.284 399 S C 1.372 176.009 174.600 0.061 0.000 1.331 399 S CA -0.459 57.775 58.200 0.058 0.000 1.047 399 S CB 0.278 63.493 63.200 0.026 0.000 0.859 399 S HN 0.532 nan 8.310 nan 0.000 0.514 400 L N 2.063 123.286 121.223 -0.001 0.000 2.051 400 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 400 L C 2.548 179.325 176.870 -0.155 0.000 1.076 400 L CA 2.668 57.459 54.840 -0.081 0.000 0.758 400 L CB -1.287 40.581 42.059 -0.319 0.000 0.890 400 L HN 1.032 nan 8.230 nan 0.000 0.433 401 E N -1.064 119.034 120.200 -0.171 0.000 2.204 401 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 401 E C 1.969 178.447 176.600 -0.205 0.000 0.989 401 E CA 1.485 57.756 56.400 -0.214 0.000 0.824 401 E CB -0.545 29.036 29.700 -0.198 0.000 0.756 401 E HN 0.599 nan 8.360 nan 0.000 0.477 402 L N -0.393 120.781 121.223 -0.081 0.000 2.068 402 L HA -0.068 4.272 4.340 -0.000 0.000 0.204 402 L C 2.548 179.471 176.870 0.089 0.000 1.076 402 L CA 0.990 55.792 54.840 -0.062 0.000 0.753 402 L CB -0.754 41.404 42.059 0.165 0.000 0.910 402 L HN 0.180 nan 8.230 nan 0.000 0.439 403 Y N 1.944 122.329 120.300 0.141 0.000 2.139 403 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 403 Y C 2.650 178.681 175.900 0.218 0.000 1.179 403 Y CA 1.588 59.864 58.100 0.294 0.000 1.161 403 Y CB -0.496 38.100 38.460 0.228 0.000 0.970 403 Y HN 0.065 nan 8.280 nan 0.000 0.511 404 R N -0.291 120.215 120.500 0.009 0.000 2.115 404 R HA -0.147 4.192 4.340 -0.000 0.000 0.230 404 R C 2.324 178.566 176.300 -0.096 0.000 1.111 404 R CA 1.497 57.539 56.100 -0.097 0.000 0.976 404 R CB -0.310 29.855 30.300 -0.226 0.000 0.870 404 R HN 0.498 nan 8.270 nan 0.000 0.445 405 Q N -0.655 118.988 119.800 -0.260 0.000 2.119 405 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 405 Q C 1.659 177.571 176.000 -0.147 0.000 0.972 405 Q CA 1.407 56.958 55.803 -0.420 0.000 0.847 405 Q CB -0.062 28.030 28.738 -1.077 0.000 0.903 405 Q HN 0.479 nan 8.270 nan 0.000 0.433 406 W N 0.227 121.615 121.300 0.148 0.000 2.381 406 W HA -0.149 4.511 4.660 -0.000 0.000 0.301 406 W C 2.406 179.006 176.519 0.136 0.000 1.205 406 W CA 0.902 58.402 57.345 0.257 0.000 1.285 406 W CB -0.197 29.475 29.460 0.352 0.000 1.133 406 W HN 0.071 nan 8.180 nan 0.000 0.521 407 T N -0.002 114.725 114.554 0.288 0.000 2.708 407 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 407 T C 1.165 175.837 174.700 -0.046 0.000 1.037 407 T CA 1.735 63.860 62.100 0.043 0.000 1.146 407 T CB -0.561 68.293 68.868 -0.024 0.000 0.865 407 T HN 0.052 nan 8.240 nan 0.000 0.435 408 D N 0.791 121.187 120.400 -0.006 0.000 2.133 408 D HA -0.077 4.563 4.640 -0.000 0.000 0.195 408 D C 2.406 178.684 176.300 -0.036 0.000 0.997 408 D CA 1.092 55.070 54.000 -0.037 0.000 0.840 408 D CB -0.159 40.617 40.800 -0.041 0.000 0.947 408 D HN 0.333 nan 8.370 nan 0.000 0.452 409 R N -0.192 120.340 120.500 0.054 0.000 2.073 409 R HA -0.036 4.303 4.340 -0.000 0.000 0.229 409 R C 2.377 178.698 176.300 0.034 0.000 1.120 409 R CA 0.405 56.572 56.100 0.110 0.000 0.967 409 R CB -0.259 30.204 30.300 0.271 0.000 0.862 409 R HN 0.120 nan 8.270 nan 0.000 0.436 410 I N 0.424 120.940 120.570 -0.090 0.000 2.394 410 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 410 I C 1.748 177.475 176.117 -0.650 0.000 1.136 410 I CA 1.335 62.297 61.300 -0.564 0.000 1.425 410 I CB 0.094 37.483 38.000 -1.019 0.000 1.079 410 I HN 0.103 nan 8.210 nan 0.000 0.425 411 M N -0.330 118.948 119.600 -0.537 0.000 2.200 411 M HA -0.142 4.338 4.480 -0.000 0.000 0.265 411 M C 2.182 178.135 176.300 -0.578 0.000 1.066 411 M CA 1.347 56.207 55.300 -0.733 0.000 1.127 411 M CB -1.376 30.813 32.600 -0.685 0.000 1.379 411 M HN 0.344 nan 8.290 nan 0.000 0.420 412 E N 0.155 120.213 120.200 -0.237 0.000 2.072 412 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 412 E C 1.955 178.566 176.600 0.019 0.000 0.985 412 E CA 1.348 57.724 56.400 -0.039 0.000 0.801 412 E CB 0.073 29.780 29.700 0.012 0.000 0.750 412 E HN 0.608 nan 8.360 nan 0.000 0.452 413 E N -0.745 119.457 120.200 0.003 0.000 2.072 413 E HA -0.162 4.187 4.350 -0.000 0.000 0.190 413 E C 1.774 178.499 176.600 0.207 0.000 0.982 413 E CA 0.780 57.244 56.400 0.107 0.000 0.803 413 E CB -0.079 29.702 29.700 0.135 0.000 0.755 413 E HN 0.219 nan 8.360 nan 0.000 0.453 414 F N 0.080 119.951 119.950 -0.131 0.000 2.146 414 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 414 F C 1.986 177.813 175.800 0.045 0.000 1.096 414 F CA 0.725 58.662 58.000 -0.105 0.000 1.275 414 F CB -0.654 38.216 39.000 -0.217 0.000 1.008 414 F HN 0.123 nan 8.300 nan 0.000 0.480 415 F N 0.318 120.351 119.950 0.140 0.000 2.234 415 F HA -0.155 4.372 4.527 -0.001 0.000 0.299 415 F C 2.463 178.267 175.800 0.007 0.000 1.087 415 F CA 0.799 58.822 58.000 0.039 0.000 1.340 415 F CB -1.382 37.620 39.000 0.004 0.000 1.031 415 F HN 0.110 nan 8.300 nan 0.000 0.500 416 Q N -0.236 119.688 119.800 0.206 0.000 2.079 416 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 416 Q C 2.307 178.325 176.000 0.029 0.000 0.974 416 Q CA 1.501 57.362 55.803 0.097 0.000 0.840 416 Q CB -0.243 28.540 28.738 0.075 0.000 0.898 416 Q HN 0.484 nan 8.270 nan 0.000 0.430 417 Q N -0.405 119.389 119.800 -0.010 0.000 2.096 417 Q HA -0.174 4.165 4.340 -0.000 0.000 0.204 417 Q C 1.926 177.911 176.000 -0.025 0.000 0.982 417 Q CA 1.669 57.382 55.803 -0.150 0.000 0.850 417 Q CB -0.346 28.262 28.738 -0.218 0.000 0.901 417 Q HN 0.445 nan 8.270 nan 0.000 0.422 418 G N 0.631 109.463 108.800 0.054 0.000 2.469 418 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 418 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 418 G C 0.916 175.854 174.900 0.064 0.000 1.150 418 G CA 1.173 46.320 45.100 0.078 0.000 0.763 418 G HN 0.420 nan 8.290 nan 0.000 0.561 419 D N 0.585 121.015 120.400 0.050 0.000 2.117 419 D HA -0.036 4.604 4.640 -0.000 0.000 0.198 419 D C 2.462 178.806 176.300 0.073 0.000 0.982 419 D CA 0.825 54.852 54.000 0.045 0.000 0.828 419 D CB -0.183 40.636 40.800 0.032 0.000 0.967 419 D HN 0.309 nan 8.370 nan 0.000 0.464 420 K N 0.598 121.047 120.400 0.082 0.000 2.057 420 K HA -0.108 4.211 4.320 -0.000 0.000 0.207 420 K C 2.083 178.820 176.600 0.227 0.000 1.049 420 K CA 0.873 57.245 56.287 0.142 0.000 0.931 420 K CB -0.030 32.536 32.500 0.111 0.000 0.714 420 K HN 0.211 nan 8.250 nan 0.000 0.440 421 E N 0.385 120.740 120.200 0.258 0.000 2.077 421 E HA -0.191 4.158 4.350 -0.000 0.000 0.193 421 E C 2.149 178.821 176.600 0.119 0.000 0.989 421 E CA 0.941 57.478 56.400 0.227 0.000 0.800 421 E CB 0.023 29.848 29.700 0.209 0.000 0.746 421 E HN 0.180 nan 8.360 nan 0.000 0.452 422 R N 0.948 121.508 120.500 0.100 0.000 2.073 422 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 422 R C 2.013 178.352 176.300 0.065 0.000 1.134 422 R CA 1.500 57.644 56.100 0.074 0.000 0.952 422 R CB 0.010 30.355 30.300 0.075 0.000 0.850 422 R HN 0.086 nan 8.270 nan 0.000 0.433 423 E N -0.377 119.866 120.200 0.073 0.000 2.219 423 E HA -0.195 4.154 4.350 -0.000 0.000 0.198 423 E C 1.632 178.263 176.600 0.051 0.000 0.998 423 E CA 1.298 57.734 56.400 0.061 0.000 0.818 423 E CB 0.156 29.897 29.700 0.068 0.000 0.741 423 E HN 0.275 nan 8.360 nan 0.000 0.477 424 R N -1.518 119.016 120.500 0.057 0.000 2.362 424 R HA 0.179 4.519 4.340 -0.000 0.000 0.227 424 R C 1.031 177.339 176.300 0.014 0.000 0.905 424 R CA 0.486 56.604 56.100 0.030 0.000 1.067 424 R CB 0.923 31.235 30.300 0.019 0.000 1.078 424 R HN 0.177 nan 8.270 nan 0.000 0.516 425 G N 1.438 110.252 108.800 0.024 0.000 2.143 425 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.248 425 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.248 425 G C 0.216 175.121 174.900 0.008 0.000 0.991 425 G CA 0.263 45.372 45.100 0.015 0.000 0.689 425 G HN 0.141 nan 8.290 nan 0.000 0.522 426 M N -0.059 119.547 119.600 0.010 0.000 2.114 426 M HA 0.431 4.911 4.480 -0.000 0.000 0.280 426 M C 0.691 177.002 176.300 0.019 0.000 1.209 426 M CA -0.109 55.191 55.300 0.000 0.000 1.044 426 M CB 0.422 33.013 32.600 -0.016 0.000 1.404 426 M HN 0.166 nan 8.290 nan 0.000 0.499 427 E N 1.416 121.625 120.200 0.015 0.000 2.283 427 E HA 0.317 4.667 4.350 -0.000 0.000 0.278 427 E C -0.990 175.634 176.600 0.040 0.000 1.027 427 E CA -0.452 55.963 56.400 0.025 0.000 0.843 427 E CB 1.038 30.748 29.700 0.016 0.000 1.062 427 E HN 0.349 nan 8.360 nan 0.000 0.401 428 I N 2.315 122.912 120.570 0.046 0.000 2.325 428 I HA 0.080 4.250 4.170 -0.000 0.000 0.291 428 I C 0.363 176.508 176.117 0.047 0.000 1.019 428 I CA -0.460 60.873 61.300 0.055 0.000 1.302 428 I CB 0.703 38.738 38.000 0.059 0.000 1.401 428 I HN 0.354 nan 8.210 nan 0.000 0.485 429 S N 8.264 123.987 115.700 0.038 0.000 2.549 429 S HA 0.096 4.565 4.470 -0.000 0.000 0.286 429 S C -1.487 173.146 174.600 0.055 0.000 1.314 429 S CA -0.748 57.471 58.200 0.030 0.000 1.062 429 S CB 0.312 63.508 63.200 -0.006 0.000 0.865 429 S HN 0.494 nan 8.310 nan 0.000 0.498 430 P HA -0.044 nan 4.420 nan 0.000 0.221 430 P C 0.886 178.257 177.300 0.119 0.000 1.145 430 P CA 1.199 64.348 63.100 0.081 0.000 0.795 430 P CB 0.047 31.790 31.700 0.072 0.000 0.775 431 M N -2.542 117.136 119.600 0.130 0.000 2.561 431 M HA 0.022 4.502 4.480 -0.000 0.000 0.238 431 M C 0.632 177.104 176.300 0.286 0.000 1.131 431 M CA 0.621 56.033 55.300 0.187 0.000 1.046 431 M CB -0.162 32.535 32.600 0.163 0.000 1.532 431 M HN -0.018 nan 8.290 nan 0.000 0.497 432 C N 0.138 119.579 119.300 0.235 0.000 2.974 432 C HA 0.173 4.633 4.460 -0.000 0.000 0.282 432 C C 0.761 175.938 174.990 0.312 0.000 1.292 432 C CA -0.530 58.671 59.018 0.304 0.000 1.710 432 C CB -0.796 26.991 27.740 0.079 0.000 2.036 432 C HN 0.314 nan 8.230 nan 0.000 0.629 433 D N 1.892 122.410 120.400 0.197 0.000 2.441 433 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 433 D C 1.323 177.455 176.300 -0.281 0.000 1.156 433 D CA 0.058 54.057 54.000 -0.002 0.000 0.896 433 D CB 0.685 41.508 40.800 0.039 0.000 1.028 433 D HN 0.525 nan 8.370 nan 0.000 0.509 434 K N 3.184 123.134 120.400 -0.750 0.000 2.209 434 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 434 K C 0.874 177.032 176.600 -0.736 0.000 1.048 434 K CA 1.060 56.496 56.287 -1.418 0.000 0.940 434 K CB -0.061 31.585 32.500 -1.423 0.000 0.729 434 K HN 0.388 nan 8.250 nan 0.000 0.451 435 H N 0.688 119.591 119.070 -0.279 0.000 2.502 435 H HA 0.027 4.583 4.556 -0.000 0.000 0.283 435 H C 1.380 176.651 175.328 -0.095 0.000 1.015 435 H CA 1.731 57.687 56.048 -0.152 0.000 1.298 435 H CB 0.451 30.155 29.762 -0.096 0.000 1.411 435 H HN 0.604 nan 8.280 nan 0.000 0.556 436 T N -2.761 111.800 114.554 0.012 0.000 3.010 436 T HA 0.403 4.753 4.350 -0.000 0.000 0.252 436 T C 1.178 175.906 174.700 0.046 0.000 0.963 436 T CA 0.199 62.320 62.100 0.035 0.000 0.952 436 T CB 0.010 68.908 68.868 0.050 0.000 1.182 436 T HN 0.262 nan 8.240 nan 0.000 0.495 437 A N 2.014 124.872 122.820 0.062 0.000 2.477 437 A HA 0.593 4.913 4.320 -0.000 0.000 0.246 437 A C 0.475 178.160 177.584 0.167 0.000 1.078 437 A CA -0.250 51.874 52.037 0.145 0.000 0.770 437 A CB 0.114 19.277 19.000 0.270 0.000 1.011 437 A HN 0.378 nan 8.150 nan 0.000 0.494 438 S N 2.464 118.242 115.700 0.130 0.000 2.430 438 S HA 0.293 4.763 4.470 -0.000 0.000 0.289 438 S C 1.122 175.782 174.600 0.101 0.000 1.143 438 S CA -0.659 57.605 58.200 0.108 0.000 1.067 438 S CB 0.500 63.745 63.200 0.074 0.000 0.964 438 S HN 0.600 nan 8.310 nan 0.000 0.485 439 V N 5.423 125.401 119.914 0.107 0.000 2.343 439 V HA -0.110 4.009 4.120 -0.000 0.000 0.247 439 V C 2.161 178.249 176.094 -0.011 0.000 1.051 439 V CA 2.002 64.321 62.300 0.033 0.000 1.036 439 V CB -0.778 31.081 31.823 0.060 0.000 0.654 439 V HN 0.754 nan 8.190 nan 0.000 0.451 440 E N 0.132 120.372 120.200 0.067 0.000 2.046 440 E HA -0.136 4.213 4.350 -0.000 0.000 0.190 440 E C 2.224 178.852 176.600 0.045 0.000 0.982 440 E CA 0.976 57.445 56.400 0.116 0.000 0.800 440 E CB -0.300 29.485 29.700 0.142 0.000 0.756 440 E HN 0.483 nan 8.360 nan 0.000 0.449 441 K N 0.255 120.683 120.400 0.047 0.000 2.097 441 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 441 K C 2.218 178.846 176.600 0.047 0.000 1.049 441 K CA 1.378 57.696 56.287 0.050 0.000 0.933 441 K CB -0.066 32.469 32.500 0.059 0.000 0.717 441 K HN -0.023 nan 8.250 nan 0.000 0.442 442 S N 0.857 116.574 115.700 0.027 0.000 2.383 442 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 442 S C 1.786 176.389 174.600 0.004 0.000 1.026 442 S CA 0.946 59.159 58.200 0.022 0.000 0.981 442 S CB -0.086 63.109 63.200 -0.008 0.000 0.818 442 S HN 0.261 nan 8.310 nan 0.000 0.472 443 Q N 0.732 120.474 119.800 -0.097 0.000 2.123 443 Q HA 0.047 4.387 4.340 -0.000 0.000 0.199 443 Q C 2.421 178.472 176.000 0.084 0.000 0.966 443 Q CA 0.820 56.574 55.803 -0.082 0.000 0.845 443 Q CB -0.717 27.663 28.738 -0.596 0.000 0.907 443 Q HN 0.431 nan 8.270 nan 0.000 0.439 444 V N 0.264 120.206 119.914 0.047 0.000 2.358 444 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 444 V C 2.274 178.376 176.094 0.012 0.000 1.047 444 V CA 1.953 64.289 62.300 0.059 0.000 1.035 444 V CB -1.104 30.747 31.823 0.046 0.000 0.658 444 V HN 0.419 nan 8.190 nan 0.000 0.452 445 G N -1.095 107.739 108.800 0.057 0.000 2.422 445 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 445 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 445 G C 1.522 176.528 174.900 0.178 0.000 1.140 445 G CA 0.763 45.911 45.100 0.080 0.000 0.775 445 G HN 0.455 nan 8.290 nan 0.000 0.545 446 F N 1.387 121.360 119.950 0.039 0.000 2.113 446 F HA 0.074 4.601 4.527 -0.000 0.000 0.297 446 F C 2.413 178.242 175.800 0.047 0.000 1.103 446 F CA 0.777 58.809 58.000 0.053 0.000 1.248 446 F CB -0.276 38.734 39.000 0.018 0.000 0.999 446 F HN 0.096 nan 8.300 nan 0.000 0.475 447 I N 0.121 120.705 120.570 0.024 0.000 2.202 447 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 447 I C 1.996 178.078 176.117 -0.058 0.000 1.091 447 I CA 1.550 62.806 61.300 -0.073 0.000 1.368 447 I CB -0.532 37.480 38.000 0.019 0.000 1.058 447 I HN 0.038 nan 8.210 nan 0.000 0.410 448 D N -0.150 120.156 120.400 -0.157 0.000 2.178 448 D HA -0.161 4.479 4.640 -0.000 0.000 0.202 448 D C 1.721 177.920 176.300 -0.168 0.000 0.974 448 D CA 1.667 55.492 54.000 -0.292 0.000 0.841 448 D CB -0.058 40.324 40.800 -0.697 0.000 0.953 448 D HN 0.489 nan 8.370 nan 0.000 0.478 449 Y N -1.034 119.326 120.300 0.101 0.000 2.430 449 Y HA 0.322 4.872 4.550 -0.000 0.000 0.248 449 Y C 1.878 177.848 175.900 0.118 0.000 1.108 449 Y CA -0.316 57.852 58.100 0.113 0.000 1.264 449 Y CB 1.057 39.588 38.460 0.118 0.000 1.172 449 Y HN -0.143 nan 8.280 nan 0.000 0.520 450 I N -2.547 118.112 120.570 0.148 0.000 3.685 450 I HA -0.063 4.107 4.170 -0.000 0.000 0.258 450 I C 1.692 177.771 176.117 -0.062 0.000 1.135 450 I CA 0.155 61.480 61.300 0.041 0.000 1.436 450 I CB -0.097 37.823 38.000 -0.134 0.000 1.670 450 I HN -0.244 nan 8.210 nan 0.000 0.424 451 V N 1.041 120.787 119.914 -0.279 0.000 2.237 451 V HA -0.326 3.793 4.120 -0.000 0.000 0.245 451 V C 2.450 178.618 176.094 0.122 0.000 1.046 451 V CA 2.673 64.879 62.300 -0.156 0.000 1.007 451 V CB -0.950 30.668 31.823 -0.342 0.000 0.638 451 V HN 0.488 nan 8.190 nan 0.000 0.445 452 H N 1.488 120.573 119.070 0.026 0.000 2.289 452 H HA -0.120 4.436 4.556 -0.000 0.000 0.296 452 H C -0.160 175.243 175.328 0.125 0.000 1.091 452 H CA 2.555 58.657 56.048 0.089 0.000 1.274 452 H CB -1.355 28.427 29.762 0.033 0.000 1.364 452 H HN 0.319 nan 8.280 nan 0.000 0.490 453 P HA -0.160 nan 4.420 nan 0.000 0.216 453 P C 1.665 178.946 177.300 -0.031 0.000 1.150 453 P CA 1.226 64.317 63.100 -0.015 0.000 0.843 453 P CB -0.076 31.690 31.700 0.111 0.000 0.787 454 L N -1.937 119.294 121.223 0.012 0.000 2.023 454 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 454 L C 2.122 178.929 176.870 -0.105 0.000 1.073 454 L CA 1.709 56.518 54.840 -0.051 0.000 0.745 454 L CB -1.428 40.572 42.059 -0.099 0.000 0.900 454 L HN -0.079 nan 8.230 nan 0.000 0.435 455 W N 0.592 121.857 121.300 -0.059 0.000 2.388 455 W HA -0.159 4.501 4.660 -0.000 0.000 0.294 455 W C 2.663 179.163 176.519 -0.031 0.000 1.212 455 W CA 1.622 58.956 57.345 -0.019 0.000 1.271 455 W CB -0.197 29.235 29.460 -0.048 0.000 1.126 455 W HN 0.358 nan 8.180 nan 0.000 0.535 456 E N -0.248 119.954 120.200 0.004 0.000 2.085 456 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 456 E C 1.722 178.317 176.600 -0.009 0.000 0.994 456 E CA 2.211 58.550 56.400 -0.101 0.000 0.801 456 E CB -0.260 29.213 29.700 -0.379 0.000 0.743 456 E HN 0.133 nan 8.360 nan 0.000 0.453 457 T N 0.538 115.089 114.554 -0.005 0.000 2.857 457 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 457 T C 1.275 175.999 174.700 0.041 0.000 1.048 457 T CA 0.982 63.085 62.100 0.006 0.000 1.139 457 T CB -0.510 68.357 68.868 -0.001 0.000 0.874 457 T HN 0.424 nan 8.240 nan 0.000 0.455 458 W N 2.127 123.356 121.300 -0.118 0.000 2.358 458 W HA -0.119 4.541 4.660 -0.000 0.000 0.303 458 W C 2.453 178.952 176.519 -0.033 0.000 1.208 458 W CA 1.176 58.448 57.345 -0.122 0.000 1.274 458 W CB -0.365 28.930 29.460 -0.275 0.000 1.138 458 W HN 0.299 nan 8.180 nan 0.000 0.515 459 A N 0.358 123.252 122.820 0.123 0.000 2.019 459 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 459 A C 1.577 179.115 177.584 -0.076 0.000 1.164 459 A CA 2.083 54.144 52.037 0.038 0.000 0.644 459 A CB -0.834 18.229 19.000 0.105 0.000 0.805 459 A HN 0.222 nan 8.150 nan 0.000 0.449 460 D N -0.665 119.685 120.400 -0.083 0.000 2.123 460 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 460 D C 1.828 178.033 176.300 -0.158 0.000 0.976 460 D CA 0.949 54.891 54.000 -0.096 0.000 0.831 460 D CB -0.305 40.455 40.800 -0.067 0.000 0.974 460 D HN 0.331 nan 8.370 nan 0.000 0.469 461 L N 0.585 121.664 121.223 -0.240 0.000 2.046 461 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 461 L C 1.793 178.441 176.870 -0.370 0.000 1.077 461 L CA 1.305 55.953 54.840 -0.320 0.000 0.747 461 L CB -0.108 41.675 42.059 -0.459 0.000 0.896 461 L HN 0.076 nan 8.230 nan 0.000 0.432 462 V N -1.893 117.749 119.914 -0.454 0.000 3.271 462 V HA 0.182 4.302 4.120 -0.000 0.000 0.327 462 V C 0.728 176.701 176.094 -0.201 0.000 1.389 462 V CA -0.193 61.886 62.300 -0.368 0.000 1.156 462 V CB -1.240 30.287 31.823 -0.492 0.000 1.103 462 V HN 0.602 nan 8.190 nan 0.000 0.453 463 Q N 2.484 122.188 119.800 -0.159 0.000 2.315 463 Q HA 0.192 4.531 4.340 -0.000 0.000 0.289 463 Q C -1.617 174.335 176.000 -0.080 0.000 1.044 463 Q CA -0.407 55.339 55.803 -0.095 0.000 0.920 463 Q CB 0.822 29.516 28.738 -0.073 0.000 1.214 463 Q HN 0.424 nan 8.270 nan 0.000 0.392 464 P HA 0.097 nan 4.420 nan 0.000 0.263 464 P C -0.507 176.769 177.300 -0.040 0.000 1.448 464 P CA -0.108 62.966 63.100 -0.043 0.000 0.983 464 P CB 0.450 32.131 31.700 -0.032 0.000 1.481 465 D N 1.666 122.036 120.400 -0.049 0.000 2.158 465 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 465 D C 1.597 177.877 176.300 -0.034 0.000 0.995 465 D CA 1.565 55.542 54.000 -0.038 0.000 0.846 465 D CB -0.473 40.306 40.800 -0.034 0.000 0.941 465 D HN 0.249 nan 8.370 nan 0.000 0.456 466 A N 0.218 123.033 122.820 -0.009 0.000 2.379 466 A HA 0.062 4.382 4.320 -0.000 0.000 0.236 466 A C 1.814 179.389 177.584 -0.015 0.000 1.272 466 A CA -0.022 52.023 52.037 0.012 0.000 0.886 466 A CB 0.097 19.220 19.000 0.205 0.000 0.962 466 A HN -0.044 nan 8.150 nan 0.000 0.504 467 Q N 1.022 120.809 119.800 -0.021 0.000 2.061 467 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 467 Q C 1.013 176.993 176.000 -0.033 0.000 0.984 467 Q CA 2.381 58.176 55.803 -0.014 0.000 0.846 467 Q CB -0.260 28.472 28.738 -0.010 0.000 0.902 467 Q HN 0.571 nan 8.270 nan 0.000 0.421 468 D N -0.487 119.879 120.400 -0.056 0.000 2.144 468 D HA -0.125 4.514 4.640 -0.000 0.000 0.199 468 D C 1.746 177.989 176.300 -0.095 0.000 0.984 468 D CA 0.984 54.949 54.000 -0.060 0.000 0.834 468 D CB -0.111 40.655 40.800 -0.056 0.000 0.955 468 D HN 0.349 nan 8.370 nan 0.000 0.465 469 I N -0.149 120.308 120.570 -0.189 0.000 2.252 469 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 469 I C 2.092 178.085 176.117 -0.207 0.000 1.102 469 I CA 0.390 61.510 61.300 -0.300 0.000 1.385 469 I CB 0.070 37.720 38.000 -0.584 0.000 1.064 469 I HN 0.002 nan 8.210 nan 0.000 0.414 470 L N 0.501 121.658 121.223 -0.109 0.000 2.046 470 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 470 L C 1.965 178.841 176.870 0.010 0.000 1.077 470 L CA 1.901 56.735 54.840 -0.010 0.000 0.747 470 L CB -0.697 41.398 42.059 0.060 0.000 0.896 470 L HN 0.198 nan 8.230 nan 0.000 0.432 471 D N -1.430 118.969 120.400 -0.002 0.000 2.123 471 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 471 D C 2.074 178.381 176.300 0.012 0.000 0.992 471 D CA 1.765 55.771 54.000 0.010 0.000 0.833 471 D CB -0.203 40.600 40.800 0.006 0.000 0.954 471 D HN 0.312 nan 8.370 nan 0.000 0.455 472 T N 1.089 115.640 114.554 -0.004 0.000 2.777 472 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 472 T C 1.929 176.642 174.700 0.021 0.000 1.040 472 T CA 0.307 62.416 62.100 0.015 0.000 1.141 472 T CB -0.330 68.551 68.868 0.022 0.000 0.868 472 T HN 0.009 nan 8.240 nan 0.000 0.444 473 L N 1.406 122.614 121.223 -0.024 0.000 2.013 473 L HA -0.122 4.217 4.340 -0.000 0.000 0.212 473 L C 2.437 179.333 176.870 0.042 0.000 1.073 473 L CA 1.883 56.708 54.840 -0.026 0.000 0.753 473 L CB -0.576 41.454 42.059 -0.048 0.000 0.890 473 L HN 0.271 nan 8.230 nan 0.000 0.432 474 E N -0.948 119.275 120.200 0.037 0.000 2.077 474 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 474 E C 1.709 178.351 176.600 0.069 0.000 0.989 474 E CA 1.373 57.790 56.400 0.029 0.000 0.800 474 E CB -0.007 29.701 29.700 0.014 0.000 0.746 474 E HN 0.581 nan 8.360 nan 0.000 0.452 475 D N 0.203 120.651 120.400 0.080 0.000 2.178 475 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 475 D C 1.515 177.927 176.300 0.186 0.000 0.974 475 D CA 0.608 54.674 54.000 0.109 0.000 0.841 475 D CB -0.263 40.586 40.800 0.080 0.000 0.953 475 D HN 0.116 nan 8.370 nan 0.000 0.478 476 N N 0.627 119.456 118.700 0.215 0.000 2.270 476 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 476 N C 1.737 177.541 175.510 0.490 0.000 1.016 476 N CA 0.330 53.611 53.050 0.384 0.000 0.870 476 N CB -0.117 38.643 38.487 0.456 0.000 0.979 476 N HN 0.178 nan 8.380 nan 0.000 0.431 477 R N 1.148 121.841 120.500 0.322 0.000 2.073 477 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 477 R C 0.958 177.394 176.300 0.227 0.000 1.120 477 R CA 1.013 57.275 56.100 0.271 0.000 0.967 477 R CB -0.144 30.229 30.300 0.120 0.000 0.862 477 R HN 0.136 nan 8.270 nan 0.000 0.436 478 N N 0.058 118.864 118.700 0.177 0.000 2.223 478 N HA -0.190 4.549 4.740 -0.000 0.000 0.185 478 N C 1.207 176.811 175.510 0.157 0.000 1.016 478 N CA 1.189 54.317 53.050 0.130 0.000 0.863 478 N CB -0.502 38.047 38.487 0.102 0.000 0.983 478 N HN 0.339 nan 8.380 nan 0.000 0.429 479 W N 0.444 121.775 121.300 0.052 0.000 2.409 479 W HA -0.080 4.579 4.660 -0.001 0.000 0.299 479 W C 1.695 178.181 176.519 -0.055 0.000 1.203 479 W CA 1.000 58.327 57.345 -0.029 0.000 1.298 479 W CB -0.541 28.865 29.460 -0.089 0.000 1.127 479 W HN 0.014 nan 8.180 nan 0.000 0.528 480 Y N 0.471 120.862 120.300 0.152 0.000 2.242 480 Y HA -0.244 4.306 4.550 -0.000 0.000 0.291 480 Y C 2.653 178.465 175.900 -0.147 0.000 1.137 480 Y CA 2.200 60.266 58.100 -0.056 0.000 1.181 480 Y CB -1.050 37.478 38.460 0.114 0.000 0.989 480 Y HN 0.054 nan 8.280 nan 0.000 0.527 481 Q N 0.350 120.197 119.800 0.077 0.000 2.124 481 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 481 Q C 2.306 178.256 176.000 -0.082 0.000 0.977 481 Q CA 2.237 58.045 55.803 0.010 0.000 0.850 481 Q CB -0.371 28.383 28.738 0.026 0.000 0.901 481 Q HN 0.405 nan 8.270 nan 0.000 0.429 482 S N -1.120 114.481 115.700 -0.165 0.000 2.453 482 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 482 S C 1.633 176.047 174.600 -0.310 0.000 1.005 482 S CA 0.752 58.822 58.200 -0.217 0.000 0.949 482 S CB -0.130 62.935 63.200 -0.225 0.000 0.774 482 S HN 0.342 nan 8.310 nan 0.000 0.510 483 M N 1.134 120.466 119.600 -0.447 0.000 2.619 483 M HA 0.369 4.849 4.480 -0.000 0.000 0.251 483 M C 0.114 176.299 176.300 -0.192 0.000 1.106 483 M CA 0.251 55.300 55.300 -0.419 0.000 1.086 483 M CB -0.976 31.229 32.600 -0.659 0.000 1.465 483 M HN 0.339 nan 8.290 nan 0.000 0.506 484 I N 1.337 121.833 120.570 -0.123 0.000 2.312 484 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 484 I C -1.548 174.537 176.117 -0.052 0.000 1.031 484 I CA -1.692 59.574 61.300 -0.056 0.000 1.293 484 I CB 0.458 38.445 38.000 -0.022 0.000 1.403 484 I HN 0.020 nan 8.210 nan 0.000 0.484 485 P HA 0.000 nan 4.420 nan 0.000 0.216 485 P CA 0.000 63.082 63.100 -0.030 0.000 0.800 485 P CB 0.000 31.687 31.700 -0.021 0.000 0.726