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 1zdt_1_A DATA FIRST_RESID 221 DATA SEQUENCE PNVPELILQL LQLEPDEDQV RARILGSLXX XXXXXPDQPA AFGLLCRMAD DATA SEQUENCE QTFISIVDWA RRCMVFKELE VADQMTLLQN CWSELLVFDH IYRQVQHGKE DATA SEQUENCE GSILLVTGQE VELTTVATQA GSLLHSLVLR AQELVLQLLA LQLDRQEFVC DATA SEQUENCE LKFIILFSLD LKFLNNHILV KDAQEKANAA LLDYTLCHYP HSGDKFQQLL DATA SEQUENCE LCLVEVRALS MQAKEYLYHK HLGNEMPRNN LLIEMLQAKQ 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 221 P HA 0.000 nan 4.420 nan 0.000 0.216 221 P C 0.000 177.407 177.300 0.179 0.000 1.155 221 P CA 0.000 63.198 63.100 0.163 0.000 0.800 221 P CB 0.000 31.724 31.700 0.041 0.000 0.726 222 N N 1.740 120.509 118.700 0.115 0.000 3.103 222 N HA 0.300 5.040 4.740 -0.001 0.000 0.305 222 N C -0.159 175.448 175.510 0.163 0.000 1.232 222 N CA -0.081 53.030 53.050 0.103 0.000 1.190 222 N CB -0.080 38.436 38.487 0.048 0.000 1.461 222 N HN -0.030 nan 8.380 nan 0.000 0.538 223 V N 2.982 123.018 119.914 0.203 0.000 2.599 223 V HA 0.067 4.187 4.120 -0.001 0.000 0.300 223 V C -1.606 174.569 176.094 0.136 0.000 1.034 223 V CA -1.144 61.298 62.300 0.237 0.000 1.115 223 V CB 0.283 32.209 31.823 0.172 0.000 0.934 223 V HN 0.532 nan 8.190 nan 0.000 0.485 224 P HA 0.012 nan 4.420 nan 0.000 0.265 224 P C 0.883 178.189 177.300 0.010 0.000 1.187 224 P CA 0.018 63.153 63.100 0.058 0.000 0.766 224 P CB 0.439 32.170 31.700 0.052 0.000 0.820 225 E N 2.494 122.690 120.200 -0.007 0.000 2.150 225 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 225 E C 1.533 178.097 176.600 -0.061 0.000 0.985 225 E CA 0.758 57.144 56.400 -0.024 0.000 0.814 225 E CB -0.579 29.108 29.700 -0.021 0.000 0.752 225 E HN 0.247 nan 8.360 nan 0.000 0.466 226 L N 1.336 122.505 121.223 -0.091 0.000 2.042 226 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 226 L C 2.309 179.075 176.870 -0.174 0.000 1.076 226 L CA 1.615 56.355 54.840 -0.168 0.000 0.749 226 L CB -0.243 41.682 42.059 -0.223 0.000 0.893 226 L HN 0.234 nan 8.230 nan 0.000 0.432 227 I N -1.288 119.205 120.570 -0.128 0.000 2.315 227 I HA -0.300 3.870 4.170 -0.001 0.000 0.248 227 I C 2.328 178.389 176.117 -0.094 0.000 1.117 227 I CA 1.075 62.296 61.300 -0.132 0.000 1.404 227 I CB -0.263 37.641 38.000 -0.160 0.000 1.071 227 I HN 0.286 nan 8.210 nan 0.000 0.419 228 L N 0.011 121.198 121.223 -0.061 0.000 2.046 228 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 228 L C 2.589 179.440 176.870 -0.032 0.000 1.077 228 L CA 1.552 56.372 54.840 -0.033 0.000 0.747 228 L CB -0.535 41.516 42.059 -0.012 0.000 0.896 228 L HN 0.272 nan 8.230 nan 0.000 0.432 229 Q N -0.297 119.472 119.800 -0.051 0.000 2.119 229 Q HA -0.148 4.191 4.340 -0.001 0.000 0.201 229 Q C 2.328 178.309 176.000 -0.033 0.000 0.972 229 Q CA 1.207 56.983 55.803 -0.044 0.000 0.847 229 Q CB -0.055 28.642 28.738 -0.068 0.000 0.903 229 Q HN 0.469 nan 8.270 nan 0.000 0.433 230 L N -0.070 121.120 121.223 -0.055 0.000 2.141 230 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 230 L C 2.020 178.922 176.870 0.053 0.000 1.094 230 L CA 0.753 55.596 54.840 0.005 0.000 0.763 230 L CB -0.234 41.808 42.059 -0.028 0.000 0.908 230 L HN 0.272 nan 8.230 nan 0.000 0.437 231 L N -1.005 120.228 121.223 0.017 0.000 2.093 231 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 231 L C 2.682 179.584 176.870 0.053 0.000 1.085 231 L CA 0.836 55.697 54.840 0.035 0.000 0.755 231 L CB -0.471 41.596 42.059 0.013 0.000 0.904 231 L HN 0.299 nan 8.230 nan 0.000 0.435 232 Q N -0.029 119.794 119.800 0.039 0.000 2.291 232 Q HA -0.084 4.256 4.340 -0.001 0.000 0.205 232 Q C 2.207 178.244 176.000 0.061 0.000 0.970 232 Q CA 1.181 57.009 55.803 0.042 0.000 0.876 232 Q CB -0.029 28.724 28.738 0.025 0.000 0.935 232 Q HN 0.573 nan 8.270 nan 0.000 0.455 233 L N 0.186 121.460 121.223 0.085 0.000 2.375 233 L HA 0.056 4.395 4.340 -0.001 0.000 0.215 233 L C 0.822 177.805 176.870 0.188 0.000 1.108 233 L CA -0.112 54.801 54.840 0.123 0.000 0.830 233 L CB -0.090 42.045 42.059 0.127 0.000 0.959 233 L HN 0.009 nan 8.230 nan 0.000 0.457 234 E N 2.284 122.588 120.200 0.173 0.000 2.406 234 E HA -0.022 4.328 4.350 -0.001 0.000 0.258 234 E C -1.370 175.308 176.600 0.129 0.000 1.043 234 E CA -1.263 55.236 56.400 0.165 0.000 0.929 234 E CB 0.699 30.476 29.700 0.129 0.000 0.969 234 E HN 0.015 nan 8.360 nan 0.000 0.462 235 P HA -0.048 nan 4.420 nan 0.000 0.224 235 P C -0.227 177.114 177.300 0.070 0.000 1.157 235 P CA 0.203 63.361 63.100 0.097 0.000 0.799 235 P CB 0.211 31.972 31.700 0.103 0.000 0.809 236 D N 1.400 121.841 120.400 0.069 0.000 2.402 236 D HA -0.049 4.590 4.640 -0.001 0.000 0.268 236 D C 0.335 176.660 176.300 0.042 0.000 1.294 236 D CA 0.660 54.689 54.000 0.048 0.000 0.945 236 D CB -0.108 40.720 40.800 0.046 0.000 1.112 236 D HN 0.150 nan 8.370 nan 0.000 0.517 237 E N 2.755 122.973 120.200 0.031 0.000 3.521 237 E HA 0.099 4.448 4.350 -0.001 0.000 0.183 237 E C -0.660 175.949 176.600 0.015 0.000 0.981 237 E CA -0.329 56.086 56.400 0.023 0.000 1.349 237 E CB 0.079 29.795 29.700 0.026 0.000 1.102 237 E HN 0.326 nan 8.360 nan 0.000 0.449 238 D N -0.250 120.157 120.400 0.010 0.000 2.839 238 D HA -0.208 4.431 4.640 -0.001 0.000 0.194 238 D C 1.001 177.306 176.300 0.008 0.000 0.988 238 D CA 1.142 55.145 54.000 0.004 0.000 1.009 238 D CB -0.797 40.005 40.800 0.002 0.000 1.067 238 D HN 0.495 nan 8.370 nan 0.000 0.444 239 Q N 0.597 120.406 119.800 0.015 0.000 2.212 239 Q HA 0.005 4.345 4.340 -0.001 0.000 0.199 239 Q C 2.181 178.193 176.000 0.019 0.000 0.950 239 Q CA 1.019 56.833 55.803 0.018 0.000 0.863 239 Q CB 0.349 29.102 28.738 0.025 0.000 0.944 239 Q HN 0.283 nan 8.270 nan 0.000 0.465 240 V N 1.151 121.078 119.914 0.021 0.000 2.255 240 V HA -0.322 3.797 4.120 -0.001 0.000 0.247 240 V C 2.489 178.590 176.094 0.012 0.000 1.051 240 V CA 2.370 64.683 62.300 0.021 0.000 1.018 240 V CB -0.694 31.142 31.823 0.022 0.000 0.641 240 V HN 0.381 nan 8.190 nan 0.000 0.445 241 R N 0.133 120.636 120.500 0.005 0.000 2.091 241 R HA -0.198 4.142 4.340 -0.001 0.000 0.238 241 R C 2.266 178.567 176.300 0.002 0.000 1.136 241 R CA 1.851 57.950 56.100 -0.001 0.000 0.959 241 R CB -0.543 29.751 30.300 -0.009 0.000 0.856 241 R HN 0.497 nan 8.270 nan 0.000 0.437 242 A N 1.362 124.185 122.820 0.004 0.000 1.845 242 A HA -0.167 4.152 4.320 -0.001 0.000 0.215 242 A C 2.104 179.693 177.584 0.007 0.000 1.195 242 A CA 1.582 53.622 52.037 0.005 0.000 0.616 242 A CB -0.560 18.444 19.000 0.007 0.000 0.832 242 A HN 0.350 nan 8.150 nan 0.000 0.443 243 R N -0.285 120.222 120.500 0.011 0.000 2.159 243 R HA -0.021 4.319 4.340 -0.001 0.000 0.237 243 R C 0.328 176.635 176.300 0.012 0.000 1.131 243 R CA 0.513 56.620 56.100 0.012 0.000 0.982 243 R CB -0.744 29.565 30.300 0.017 0.000 0.868 243 R HN 0.473 nan 8.270 nan 0.000 0.453 244 I N 2.134 122.711 120.570 0.011 0.000 2.533 244 I HA -0.076 4.094 4.170 -0.001 0.000 0.284 244 I C 1.365 177.487 176.117 0.008 0.000 1.109 244 I CA 0.319 61.626 61.300 0.011 0.000 1.412 244 I CB 0.816 38.822 38.000 0.010 0.000 1.396 244 I HN 0.079 nan 8.210 nan 0.000 0.543 245 L N 5.522 126.751 121.223 0.009 0.000 2.731 245 L HA 0.230 4.570 4.340 -0.001 0.000 0.240 245 L C 1.402 178.276 176.870 0.007 0.000 1.120 245 L CA -0.073 54.772 54.840 0.008 0.000 0.913 245 L CB 0.276 42.341 42.059 0.010 0.000 1.213 245 L HN 0.728 nan 8.230 nan 0.000 0.515 246 G N 0.083 108.886 108.800 0.005 0.000 2.192 246 G HA2 0.017 3.977 3.960 -0.001 0.000 0.258 246 G HA3 0.017 3.977 3.960 -0.001 0.000 0.258 246 G C 0.302 175.203 174.900 0.003 0.000 1.185 246 G CA 0.015 45.117 45.100 0.003 0.000 0.976 246 G HN 0.182 nan 8.290 nan 0.000 0.446 247 S N 3.543 119.245 115.700 0.004 0.000 2.945 247 S HA 0.313 4.783 4.470 -0.001 0.000 0.227 247 S C 0.956 175.558 174.600 0.003 0.000 1.353 247 S CA -0.468 57.734 58.200 0.004 0.000 1.236 247 S CB -0.833 62.369 63.200 0.005 0.000 1.069 247 S HN 0.619 nan 8.310 nan 0.000 0.509 257 D N 0.557 120.959 120.400 0.003 0.000 2.467 257 D HA 0.702 5.342 4.640 -0.001 0.000 0.245 257 D C -0.006 176.297 176.300 0.005 0.000 1.038 257 D CA -0.172 53.830 54.000 0.004 0.000 1.038 257 D CB 1.240 42.043 40.800 0.004 0.000 1.278 257 D HN 0.141 nan 8.370 nan 0.000 0.564 258 Q N -0.719 119.085 119.800 0.007 0.000 2.668 258 Q HA 0.697 5.036 4.340 -0.001 0.000 0.298 258 Q C -2.501 173.506 176.000 0.012 0.000 1.071 258 Q CA -1.522 54.286 55.803 0.009 0.000 0.789 258 Q CB -0.642 28.103 28.738 0.011 0.000 1.497 258 Q HN 0.114 nan 8.270 nan 0.000 0.460 259 P HA 0.297 nan 4.420 nan 0.000 0.272 259 P C -1.099 176.223 177.300 0.037 0.000 1.223 259 P CA -0.374 62.740 63.100 0.024 0.000 0.784 259 P CB 0.261 31.974 31.700 0.022 0.000 0.923 260 A N 1.905 124.756 122.820 0.052 0.000 2.540 260 A HA 0.361 4.681 4.320 -0.001 0.000 0.239 260 A C 0.743 178.385 177.584 0.095 0.000 1.061 260 A CA 0.202 52.281 52.037 0.070 0.000 0.758 260 A CB -0.522 18.536 19.000 0.097 0.000 0.991 260 A HN 0.602 nan 8.150 nan 0.000 0.502 261 A N 2.858 125.722 122.820 0.073 0.000 2.990 261 A HA 0.409 4.728 4.320 -0.001 0.000 0.282 261 A C 0.702 178.347 177.584 0.102 0.000 1.688 261 A CA -0.336 51.747 52.037 0.077 0.000 1.391 261 A CB -0.977 18.045 19.000 0.037 0.000 1.112 261 A HN 1.032 nan 8.150 nan 0.000 0.588 262 F N 2.166 122.126 119.950 0.017 0.000 2.043 262 F HA -0.182 4.344 4.527 -0.001 0.000 0.297 262 F C 2.178 177.994 175.800 0.027 0.000 1.121 262 F CA 2.686 60.703 58.000 0.028 0.000 1.199 262 F CB -0.428 38.590 39.000 0.031 0.000 0.968 262 F HN 0.452 nan 8.300 nan 0.000 0.478 263 G N 0.406 109.312 108.800 0.176 0.000 2.442 263 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 263 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 263 G C 1.638 176.521 174.900 -0.029 0.000 1.141 263 G CA 0.833 45.976 45.100 0.070 0.000 0.763 263 G HN 0.404 nan 8.290 nan 0.000 0.554 264 L N 0.208 121.421 121.223 -0.017 0.000 2.131 264 L HA 0.218 4.558 4.340 -0.001 0.000 0.206 264 L C 2.805 179.638 176.870 -0.063 0.000 1.087 264 L CA 1.066 55.891 54.840 -0.026 0.000 0.767 264 L CB -0.652 41.404 42.059 -0.004 0.000 0.917 264 L HN 0.228 nan 8.230 nan 0.000 0.441 265 L N -1.260 119.900 121.223 -0.105 0.000 2.083 265 L HA -0.270 4.069 4.340 -0.001 0.000 0.209 265 L C 2.765 179.530 176.870 -0.174 0.000 1.083 265 L CA 1.036 55.792 54.840 -0.139 0.000 0.752 265 L CB -0.640 41.318 42.059 -0.169 0.000 0.899 265 L HN 0.316 nan 8.230 nan 0.000 0.433 266 C N -0.553 118.595 119.300 -0.253 0.000 2.432 266 C HA -0.158 4.302 4.460 -0.001 0.000 0.277 266 C C 2.955 177.893 174.990 -0.085 0.000 1.249 266 C CA 0.625 59.520 59.018 -0.206 0.000 1.725 266 C CB -0.839 26.756 27.740 -0.242 0.000 2.028 266 C HN 0.440 nan 8.230 nan 0.000 0.477 267 R N 0.322 120.786 120.500 -0.061 0.000 2.103 267 R HA -0.190 4.150 4.340 -0.001 0.000 0.242 267 R C 2.312 178.607 176.300 -0.007 0.000 1.142 267 R CA 1.844 57.932 56.100 -0.020 0.000 0.960 267 R CB -0.402 29.890 30.300 -0.013 0.000 0.858 267 R HN 0.610 nan 8.270 nan 0.000 0.439 268 M N -0.508 119.079 119.600 -0.022 0.000 2.117 268 M HA -0.138 4.342 4.480 -0.001 0.000 0.262 268 M C 1.999 178.305 176.300 0.010 0.000 1.065 268 M CA 2.107 57.402 55.300 -0.009 0.000 1.114 268 M CB -0.073 32.511 32.600 -0.027 0.000 1.361 268 M HN 0.253 nan 8.290 nan 0.000 0.408 269 A N 0.062 122.883 122.820 0.002 0.000 1.969 269 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 269 A C 1.608 179.250 177.584 0.098 0.000 1.169 269 A CA 1.916 53.976 52.037 0.038 0.000 0.635 269 A CB -0.744 18.263 19.000 0.011 0.000 0.810 269 A HN 0.543 nan 8.150 nan 0.000 0.445 270 D N -0.513 119.933 120.400 0.075 0.000 2.117 270 D HA -0.105 4.535 4.640 -0.001 0.000 0.198 270 D C 2.123 178.514 176.300 0.152 0.000 0.982 270 D CA 1.019 55.090 54.000 0.118 0.000 0.828 270 D CB -0.179 40.658 40.800 0.063 0.000 0.967 270 D HN 0.311 nan 8.370 nan 0.000 0.464 271 Q N -0.118 119.736 119.800 0.090 0.000 2.172 271 Q HA -0.025 4.314 4.340 -0.001 0.000 0.200 271 Q C 2.106 178.152 176.000 0.076 0.000 0.964 271 Q CA 0.876 56.720 55.803 0.068 0.000 0.855 271 Q CB -0.522 28.239 28.738 0.039 0.000 0.918 271 Q HN 0.287 nan 8.270 nan 0.000 0.444 272 T N 0.925 115.538 114.554 0.099 0.000 2.821 272 T HA -0.093 4.257 4.350 -0.001 0.000 0.267 272 T C 1.481 176.279 174.700 0.164 0.000 1.046 272 T CA 0.807 62.972 62.100 0.108 0.000 1.139 272 T CB -0.360 68.572 68.868 0.106 0.000 0.871 272 T HN 0.312 nan 8.240 nan 0.000 0.454 273 F N 1.800 121.789 119.950 0.066 0.000 2.134 273 F HA -0.066 4.461 4.527 -0.001 0.000 0.299 273 F C 2.003 177.845 175.800 0.070 0.000 1.097 273 F CA 1.013 59.066 58.000 0.088 0.000 1.264 273 F CB -0.216 38.831 39.000 0.079 0.000 1.001 273 F HN 0.013 nan 8.300 nan 0.000 0.479 274 I N 0.610 121.126 120.570 -0.090 0.000 2.151 274 I HA -0.340 3.829 4.170 -0.001 0.000 0.243 274 I C 2.693 178.726 176.117 -0.141 0.000 1.080 274 I CA 1.899 63.093 61.300 -0.176 0.000 1.339 274 I CB -1.401 36.578 38.000 -0.034 0.000 1.039 274 I HN 0.364 nan 8.210 nan 0.000 0.409 275 S N 0.882 116.556 115.700 -0.042 0.000 2.423 275 S HA -0.075 4.395 4.470 -0.001 0.000 0.231 275 S C 1.986 176.611 174.600 0.041 0.000 1.014 275 S CA 0.659 58.863 58.200 0.008 0.000 0.965 275 S CB -0.638 62.582 63.200 0.034 0.000 0.785 275 S HN 0.419 nan 8.310 nan 0.000 0.495 276 I N 1.217 121.795 120.570 0.013 0.000 2.353 276 I HA -0.082 4.087 4.170 -0.001 0.000 0.248 276 I C 2.315 178.482 176.117 0.082 0.000 1.119 276 I CA 0.798 62.154 61.300 0.093 0.000 1.417 276 I CB -0.249 37.813 38.000 0.103 0.000 1.078 276 I HN 0.223 nan 8.210 nan 0.000 0.421 277 V N 0.382 120.189 119.914 -0.178 0.000 2.453 277 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 277 V C 2.030 178.054 176.094 -0.117 0.000 1.048 277 V CA 1.669 63.839 62.300 -0.216 0.000 1.049 277 V CB -0.620 30.975 31.823 -0.381 0.000 0.672 277 V HN 0.371 nan 8.190 nan 0.000 0.457 278 D N -0.851 119.514 120.400 -0.059 0.000 2.123 278 D HA -0.235 4.405 4.640 -0.001 0.000 0.196 278 D C 1.721 178.037 176.300 0.026 0.000 0.992 278 D CA 1.599 55.593 54.000 -0.009 0.000 0.833 278 D CB -0.242 40.569 40.800 0.018 0.000 0.954 278 D HN 0.675 nan 8.370 nan 0.000 0.455 279 W N 1.959 123.204 121.300 -0.092 0.000 2.354 279 W HA -0.139 4.521 4.660 -0.001 0.000 0.315 279 W C 2.340 178.785 176.519 -0.123 0.000 1.206 279 W CA 2.412 59.711 57.345 -0.076 0.000 1.290 279 W CB -0.534 28.891 29.460 -0.060 0.000 1.152 279 W HN -0.054 nan 8.180 nan 0.000 0.489 280 A N 1.608 124.111 122.820 -0.528 0.000 1.933 280 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 280 A C 2.108 179.167 177.584 -0.875 0.000 1.175 280 A CA 2.053 53.407 52.037 -1.139 0.000 0.628 280 A CB -1.036 17.354 19.000 -1.017 0.000 0.814 280 A HN 0.580 nan 8.150 nan 0.000 0.444 281 R N -0.682 119.588 120.500 -0.384 0.000 2.235 281 R HA 0.031 4.370 4.340 -0.001 0.000 0.213 281 R C 1.660 177.944 176.300 -0.026 0.000 1.059 281 R CA 1.122 57.206 56.100 -0.027 0.000 0.997 281 R CB -0.288 30.042 30.300 0.051 0.000 0.884 281 R HN 0.423 nan 8.270 nan 0.000 0.462 282 R N 0.126 120.539 120.500 -0.146 0.000 2.276 282 R HA 0.152 4.492 4.340 -0.001 0.000 0.196 282 R C 0.282 176.506 176.300 -0.127 0.000 0.961 282 R CA -0.007 56.032 56.100 -0.102 0.000 1.024 282 R CB 0.093 30.345 30.300 -0.080 0.000 0.940 282 R HN 0.112 nan 8.270 nan 0.000 0.480 283 C N 3.477 122.622 119.300 -0.259 0.000 2.662 283 C HA 0.090 4.550 4.460 -0.001 0.000 0.420 283 C C 1.263 176.308 174.990 0.092 0.000 1.314 283 C CA -0.980 57.947 59.018 -0.151 0.000 1.963 283 C CB 0.124 27.713 27.740 -0.252 0.000 2.686 283 C HN 0.410 nan 8.230 nan 0.000 0.609 284 M N 4.097 123.766 119.600 0.115 0.000 2.252 284 M HA 0.226 4.706 4.480 -0.001 0.000 0.321 284 M C 0.939 177.417 176.300 0.297 0.000 1.070 284 M CA 0.529 55.912 55.300 0.138 0.000 1.143 284 M CB -0.826 31.794 32.600 0.034 0.000 1.498 284 M HN 0.719 nan 8.290 nan 0.000 0.445 285 V N 0.690 120.730 119.914 0.210 0.000 0.516 285 V HA -0.411 3.709 4.120 -0.001 0.000 0.092 285 V C 1.396 177.675 176.094 0.308 0.000 2.243 285 V CA 2.425 64.861 62.300 0.226 0.000 3.573 285 V CB -2.433 29.486 31.823 0.159 0.000 0.862 285 V HN 0.920 nan 8.190 nan 0.000 0.902 286 F N 2.884 123.025 119.950 0.319 0.000 2.091 286 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 286 F C 2.526 178.345 175.800 0.030 0.000 1.103 286 F CA 2.791 60.876 58.000 0.141 0.000 1.228 286 F CB -0.174 38.805 39.000 -0.035 0.000 0.984 286 F HN 0.520 nan 8.300 nan 0.000 0.477 287 K N -0.619 119.917 120.400 0.226 0.000 2.515 287 K HA -0.143 4.177 4.320 -0.001 0.000 0.196 287 K C 1.404 178.014 176.600 0.016 0.000 1.038 287 K CA 1.579 57.929 56.287 0.105 0.000 0.967 287 K CB -0.217 32.341 32.500 0.096 0.000 0.780 287 K HN 0.264 nan 8.250 nan 0.000 0.483 288 E N 0.304 120.511 120.200 0.012 0.000 2.340 288 E HA 0.126 4.475 4.350 -0.001 0.000 0.194 288 E C -0.172 176.395 176.600 -0.055 0.000 0.996 288 E CA -0.047 56.347 56.400 -0.011 0.000 0.869 288 E CB 0.253 29.962 29.700 0.015 0.000 0.835 288 E HN 0.084 nan 8.360 nan 0.000 0.493 289 L N 1.748 122.903 121.223 -0.113 0.000 2.464 289 L HA 0.090 4.429 4.340 -0.001 0.000 0.264 289 L C 0.763 177.526 176.870 -0.178 0.000 1.199 289 L CA 0.263 55.005 54.840 -0.163 0.000 0.818 289 L CB 0.367 42.258 42.059 -0.279 0.000 1.102 289 L HN 0.021 nan 8.230 nan 0.000 0.473 290 E N 0.613 120.727 120.200 -0.143 0.000 2.345 290 E HA 0.106 4.455 4.350 -0.001 0.000 0.259 290 E C 1.135 177.650 176.600 -0.143 0.000 1.117 290 E CA -0.371 55.960 56.400 -0.116 0.000 0.913 290 E CB 0.890 30.542 29.700 -0.080 0.000 1.057 290 E HN 0.307 nan 8.360 nan 0.000 0.432 291 V N 1.505 121.358 119.914 -0.102 0.000 2.469 291 V HA -0.292 3.828 4.120 -0.001 0.000 0.251 291 V C 2.033 178.077 176.094 -0.084 0.000 1.064 291 V CA 2.424 64.669 62.300 -0.091 0.000 1.066 291 V CB -0.659 31.135 31.823 -0.048 0.000 0.667 291 V HN 0.761 nan 8.190 nan 0.000 0.461 292 A N -0.342 122.436 122.820 -0.069 0.000 1.877 292 A HA -0.242 4.078 4.320 -0.001 0.000 0.216 292 A C 2.013 179.563 177.584 -0.057 0.000 1.186 292 A CA 2.023 54.032 52.037 -0.047 0.000 0.620 292 A CB -0.594 18.386 19.000 -0.034 0.000 0.822 292 A HN 0.526 nan 8.150 nan 0.000 0.443 293 D N -0.428 119.916 120.400 -0.093 0.000 2.117 293 D HA -0.127 4.513 4.640 -0.001 0.000 0.198 293 D C 2.227 178.422 176.300 -0.176 0.000 0.982 293 D CA 1.315 55.250 54.000 -0.109 0.000 0.828 293 D CB -0.410 40.315 40.800 -0.126 0.000 0.967 293 D HN 0.607 nan 8.370 nan 0.000 0.464 294 Q N -0.405 119.215 119.800 -0.300 0.000 2.135 294 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 294 Q C 2.247 178.253 176.000 0.009 0.000 0.981 294 Q CA 1.000 56.558 55.803 -0.409 0.000 0.856 294 Q CB -0.076 28.368 28.738 -0.490 0.000 0.902 294 Q HN 0.359 nan 8.270 nan 0.000 0.425 295 M N -0.372 119.226 119.600 -0.003 0.000 2.123 295 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 295 M C 2.188 178.523 176.300 0.058 0.000 1.069 295 M CA 1.366 56.696 55.300 0.050 0.000 1.133 295 M CB -0.220 32.392 32.600 0.021 0.000 1.356 295 M HN 0.177 nan 8.290 nan 0.000 0.415 296 T N 1.488 116.058 114.554 0.026 0.000 2.684 296 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 296 T C 1.829 176.555 174.700 0.043 0.000 1.036 296 T CA 1.273 63.391 62.100 0.029 0.000 1.148 296 T CB -0.505 68.381 68.868 0.030 0.000 0.863 296 T HN 0.297 nan 8.240 nan 0.000 0.436 297 L N 0.188 121.436 121.223 0.041 0.000 2.012 297 L HA -0.072 4.268 4.340 -0.001 0.000 0.210 297 L C 2.573 179.495 176.870 0.087 0.000 1.073 297 L CA 1.277 56.138 54.840 0.035 0.000 0.748 297 L CB -0.562 41.502 42.059 0.008 0.000 0.891 297 L HN 0.247 nan 8.230 nan 0.000 0.431 298 L N -0.927 120.394 121.223 0.163 0.000 2.109 298 L HA -0.199 4.140 4.340 -0.001 0.000 0.207 298 L C 2.628 179.683 176.870 0.309 0.000 1.086 298 L CA 0.719 55.689 54.840 0.216 0.000 0.760 298 L CB -0.300 41.893 42.059 0.223 0.000 0.910 298 L HN 0.281 nan 8.230 nan 0.000 0.437 299 Q N 0.532 120.469 119.800 0.228 0.000 2.181 299 Q HA -0.245 4.094 4.340 -0.001 0.000 0.205 299 Q C 1.822 177.989 176.000 0.279 0.000 0.980 299 Q CA 1.919 57.876 55.803 0.257 0.000 0.862 299 Q CB -0.198 28.606 28.738 0.110 0.000 0.905 299 Q HN 0.383 nan 8.270 nan 0.000 0.429 300 N N -1.471 117.308 118.700 0.132 0.000 2.354 300 N HA -0.084 4.656 4.740 -0.001 0.000 0.179 300 N C 1.095 176.604 175.510 -0.002 0.000 1.021 300 N CA 1.313 54.382 53.050 0.031 0.000 0.887 300 N CB 0.027 38.502 38.487 -0.020 0.000 0.974 300 N HN 0.513 nan 8.380 nan 0.000 0.437 301 C N -0.753 118.582 119.300 0.059 0.000 3.491 301 C HA 0.413 4.873 4.460 -0.001 0.000 0.298 301 C C 2.277 177.277 174.990 0.017 0.000 1.424 301 C CA -0.895 58.118 59.018 -0.008 0.000 1.772 301 C CB -1.574 26.172 27.740 0.010 0.000 2.447 301 C HN 0.551 nan 8.230 nan 0.000 0.670 302 W N 3.196 124.543 121.300 0.079 0.000 2.363 302 W HA -0.076 4.584 4.660 -0.000 0.000 0.296 302 W C 1.961 178.535 176.519 0.091 0.000 1.212 302 W CA 1.681 59.120 57.345 0.157 0.000 1.260 302 W CB -1.703 27.848 29.460 0.152 0.000 1.131 302 W HN 0.560 nan 8.180 nan 0.000 0.530 303 S N 1.090 116.235 115.700 -0.924 0.000 2.387 303 S HA -0.182 4.288 4.470 -0.001 0.000 0.226 303 S C 1.511 175.936 174.600 -0.291 0.000 1.026 303 S CA 1.354 59.067 58.200 -0.810 0.000 0.972 303 S CB -0.567 61.883 63.200 -1.251 0.000 0.814 303 S HN 0.196 nan 8.310 nan 0.000 0.477 304 E N 1.917 121.975 120.200 -0.237 0.000 2.077 304 E HA 0.030 4.380 4.350 -0.001 0.000 0.193 304 E C 2.015 178.636 176.600 0.035 0.000 0.989 304 E CA 1.201 57.546 56.400 -0.091 0.000 0.800 304 E CB -0.560 29.074 29.700 -0.110 0.000 0.746 304 E HN 0.479 nan 8.360 nan 0.000 0.452 305 L N 0.037 121.303 121.223 0.071 0.000 2.083 305 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 305 L C 2.300 179.281 176.870 0.184 0.000 1.083 305 L CA 0.806 55.736 54.840 0.149 0.000 0.752 305 L CB -0.295 41.865 42.059 0.169 0.000 0.899 305 L HN 0.176 nan 8.230 nan 0.000 0.433 306 L N -1.187 120.145 121.223 0.181 0.000 2.027 306 L HA -0.184 4.155 4.340 -0.001 0.000 0.206 306 L C 2.490 179.461 176.870 0.168 0.000 1.074 306 L CA 0.818 55.769 54.840 0.185 0.000 0.745 306 L CB -0.312 41.867 42.059 0.199 0.000 0.898 306 L HN 0.011 nan 8.230 nan 0.000 0.433 307 V N -0.523 119.475 119.914 0.139 0.000 2.287 307 V HA -0.361 3.759 4.120 -0.001 0.000 0.248 307 V C 2.170 178.409 176.094 0.242 0.000 1.053 307 V CA 2.153 64.557 62.300 0.173 0.000 1.027 307 V CB -0.579 31.305 31.823 0.102 0.000 0.646 307 V HN 0.368 nan 8.190 nan 0.000 0.447 308 F N 0.971 120.960 119.950 0.066 0.000 2.171 308 F HA -0.236 4.290 4.527 -0.001 0.000 0.300 308 F C 2.268 178.161 175.800 0.154 0.000 1.090 308 F CA 1.910 59.962 58.000 0.086 0.000 1.293 308 F CB -0.047 38.982 39.000 0.049 0.000 1.013 308 F HN 0.279 nan 8.300 nan 0.000 0.486 309 D N -0.840 119.647 120.400 0.146 0.000 2.117 309 D HA -0.307 4.333 4.640 -0.001 0.000 0.197 309 D C 2.079 178.399 176.300 0.033 0.000 0.987 309 D CA 1.732 55.776 54.000 0.075 0.000 0.829 309 D CB -0.168 40.695 40.800 0.105 0.000 0.961 309 D HN 0.462 nan 8.370 nan 0.000 0.460 310 H N -0.055 119.014 119.070 -0.001 0.000 2.326 310 H HA -0.045 4.510 4.556 -0.001 0.000 0.301 310 H C 1.967 177.262 175.328 -0.054 0.000 1.081 310 H CA 1.501 57.532 56.048 -0.029 0.000 1.334 310 H CB -0.350 29.409 29.762 -0.005 0.000 1.385 310 H HN 0.103 nan 8.280 nan 0.000 0.504 311 I N 0.338 120.724 120.570 -0.306 0.000 2.118 311 I HA -0.318 3.852 4.170 -0.001 0.000 0.241 311 I C 2.224 178.184 176.117 -0.262 0.000 1.070 311 I CA 1.680 62.809 61.300 -0.286 0.000 1.327 311 I CB -1.451 36.534 38.000 -0.024 0.000 1.034 311 I HN 0.363 nan 8.210 nan 0.000 0.405 312 Y N 1.760 121.787 120.300 -0.454 0.000 2.274 312 Y HA -0.217 4.333 4.550 -0.001 0.000 0.290 312 Y C 2.852 178.484 175.900 -0.447 0.000 1.145 312 Y CA 1.758 59.525 58.100 -0.554 0.000 1.203 312 Y CB -0.520 37.353 38.460 -0.977 0.000 0.984 312 Y HN 0.071 nan 8.280 nan 0.000 0.533 313 R N -0.253 119.981 120.500 -0.443 0.000 2.105 313 R HA -0.210 4.130 4.340 -0.001 0.000 0.239 313 R C 1.968 178.069 176.300 -0.331 0.000 1.135 313 R CA 1.885 57.753 56.100 -0.387 0.000 0.967 313 R CB -0.025 30.150 30.300 -0.208 0.000 0.861 313 R HN 0.308 nan 8.270 nan 0.000 0.442 314 Q N -0.216 119.400 119.800 -0.306 0.000 2.230 314 Q HA -0.080 4.260 4.340 -0.001 0.000 0.202 314 Q C 2.180 178.081 176.000 -0.165 0.000 0.963 314 Q CA 1.407 57.103 55.803 -0.179 0.000 0.866 314 Q CB -0.326 28.285 28.738 -0.212 0.000 0.931 314 Q HN 0.444 nan 8.270 nan 0.000 0.452 315 V N -1.336 118.416 119.914 -0.270 0.000 2.488 315 V HA -0.168 3.952 4.120 -0.001 0.000 0.246 315 V C 1.862 177.784 176.094 -0.287 0.000 1.046 315 V CA 1.315 63.476 62.300 -0.231 0.000 1.053 315 V CB -0.456 31.275 31.823 -0.153 0.000 0.679 315 V HN 0.196 nan 8.190 nan 0.000 0.458 316 Q N -0.534 118.984 119.800 -0.471 0.000 2.226 316 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 316 Q C 2.206 178.111 176.000 -0.159 0.000 0.975 316 Q CA 1.954 57.528 55.803 -0.380 0.000 0.866 316 Q CB -0.287 28.143 28.738 -0.513 0.000 0.915 316 Q HN 0.906 nan 8.270 nan 0.000 0.440 317 H N -0.420 118.512 119.070 -0.230 0.000 2.343 317 H HA 0.036 4.592 4.556 -0.000 0.000 0.303 317 H C 1.089 176.349 175.328 -0.112 0.000 1.068 317 H CA 1.662 57.620 56.048 -0.151 0.000 1.359 317 H CB -0.207 29.474 29.762 -0.136 0.000 1.402 317 H HN 0.297 nan 8.280 nan 0.000 0.515 318 G N 0.904 109.587 108.800 -0.194 0.000 2.221 318 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.265 318 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.265 318 G C -0.490 174.223 174.900 -0.313 0.000 1.041 318 G CA 0.518 45.492 45.100 -0.211 0.000 0.807 318 G HN 0.542 nan 8.290 nan 0.000 0.502 319 K N -0.547 119.547 120.400 -0.509 0.000 2.463 319 K HA 0.396 4.716 4.320 -0.001 0.000 0.255 319 K C 0.590 177.074 176.600 -0.193 0.000 0.942 319 K CA -0.716 55.320 56.287 -0.417 0.000 0.814 319 K CB 2.366 34.484 32.500 -0.637 0.000 1.122 319 K HN 0.156 nan 8.250 nan 0.000 0.425 320 E N 1.862 121.999 120.200 -0.104 0.000 2.274 320 E HA -0.080 4.269 4.350 -0.001 0.000 0.194 320 E C 1.427 178.022 176.600 -0.008 0.000 0.996 320 E CA 0.883 57.258 56.400 -0.041 0.000 0.840 320 E CB 0.172 29.852 29.700 -0.033 0.000 0.772 320 E HN 0.881 nan 8.360 nan 0.000 0.491 321 G N -0.203 108.590 108.800 -0.012 0.000 2.880 321 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.209 321 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.209 321 G C 0.251 175.182 174.900 0.053 0.000 1.157 321 G CA 0.547 45.657 45.100 0.017 0.000 0.779 321 G HN 0.269 nan 8.290 nan 0.000 0.539 322 S N -0.928 114.831 115.700 0.098 0.000 2.625 322 S HA 0.699 5.169 4.470 -0.001 0.000 0.271 322 S C -1.436 173.298 174.600 0.223 0.000 1.161 322 S CA -0.933 57.359 58.200 0.154 0.000 0.820 322 S CB 1.907 65.211 63.200 0.172 0.000 1.137 322 S HN -0.107 nan 8.310 nan 0.000 0.470 323 I N 1.727 122.361 120.570 0.107 0.000 2.441 323 I HA 0.438 4.607 4.170 -0.001 0.000 0.295 323 I C -0.480 175.538 176.117 -0.165 0.000 0.994 323 I CA -0.892 60.431 61.300 0.039 0.000 1.144 323 I CB 1.634 39.682 38.000 0.080 0.000 1.314 323 I HN 0.712 nan 8.210 nan 0.000 0.445 324 L N 6.573 127.592 121.223 -0.340 0.000 2.289 324 L HA 0.520 4.859 4.340 -0.001 0.000 0.285 324 L C -0.623 176.158 176.870 -0.148 0.000 1.049 324 L CA -0.548 54.049 54.840 -0.405 0.000 0.804 324 L CB 1.534 43.214 42.059 -0.632 0.000 1.195 324 L HN 0.433 nan 8.230 nan 0.000 0.428 325 L N 4.121 125.274 121.223 -0.117 0.000 2.332 325 L HA 0.328 4.668 4.340 -0.001 0.000 0.269 325 L C 1.171 178.003 176.870 -0.063 0.000 1.016 325 L CA -0.590 54.213 54.840 -0.061 0.000 0.809 325 L CB 1.722 43.747 42.059 -0.057 0.000 1.280 325 L HN 0.383 nan 8.230 nan 0.000 0.447 326 V N 0.875 120.767 119.914 -0.037 0.000 2.568 326 V HA -0.239 3.881 4.120 -0.001 0.000 0.253 326 V C 2.307 178.382 176.094 -0.032 0.000 1.072 326 V CA 2.599 64.880 62.300 -0.031 0.000 1.084 326 V CB -0.348 31.470 31.823 -0.008 0.000 0.676 326 V HN 1.098 nan 8.190 nan 0.000 0.469 327 T N -2.775 111.759 114.554 -0.033 0.000 3.072 327 T HA 0.170 4.520 4.350 -0.001 0.000 0.266 327 T C 1.609 176.288 174.700 -0.035 0.000 1.127 327 T CA 1.152 63.235 62.100 -0.028 0.000 1.107 327 T CB 0.110 68.962 68.868 -0.026 0.000 0.910 327 T HN 1.335 nan 8.240 nan 0.000 0.513 328 G N 0.338 109.107 108.800 -0.051 0.000 2.176 328 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.232 328 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.232 328 G C -0.149 174.713 174.900 -0.064 0.000 0.986 328 G CA 0.098 45.163 45.100 -0.058 0.000 0.643 328 G HN 0.814 nan 8.290 nan 0.000 0.522 329 Q N 0.937 120.700 119.800 -0.062 0.000 2.288 329 Q HA 0.471 4.810 4.340 -0.001 0.000 0.254 329 Q C -0.269 175.682 176.000 -0.082 0.000 0.932 329 Q CA -0.156 55.614 55.803 -0.055 0.000 0.902 329 Q CB 0.466 29.180 28.738 -0.039 0.000 1.203 329 Q HN 0.582 nan 8.270 nan 0.000 0.415 330 E N 2.088 122.247 120.200 -0.067 0.000 2.179 330 E HA 0.402 4.751 4.350 -0.001 0.000 0.275 330 E C -1.229 175.356 176.600 -0.026 0.000 0.945 330 E CA -0.748 55.607 56.400 -0.074 0.000 0.792 330 E CB 2.072 31.752 29.700 -0.033 0.000 1.125 330 E HN 0.293 nan 8.360 nan 0.000 0.397 331 V N 3.409 123.314 119.914 -0.015 0.000 2.378 331 V HA 0.116 4.235 4.120 -0.001 0.000 0.288 331 V C 0.047 176.158 176.094 0.029 0.000 1.016 331 V CA -0.969 61.334 62.300 0.005 0.000 0.840 331 V CB 1.332 33.154 31.823 -0.001 0.000 0.994 331 V HN 0.597 nan 8.190 nan 0.000 0.431 332 E N 3.490 123.708 120.200 0.030 0.000 2.437 332 E HA 0.058 4.407 4.350 -0.001 0.000 0.263 332 E C 0.749 177.372 176.600 0.038 0.000 1.030 332 E CA -0.237 56.186 56.400 0.038 0.000 0.934 332 E CB 0.906 30.622 29.700 0.027 0.000 0.943 332 E HN 0.341 nan 8.360 nan 0.000 0.444 333 L N 2.305 123.558 121.223 0.050 0.000 2.201 333 L HA -0.138 4.201 4.340 -0.001 0.000 0.212 333 L C 2.358 179.260 176.870 0.053 0.000 1.105 333 L CA 1.865 56.743 54.840 0.064 0.000 0.775 333 L CB -1.665 40.440 42.059 0.076 0.000 0.913 333 L HN 0.639 nan 8.230 nan 0.000 0.440 334 T N -4.673 109.903 114.554 0.035 0.000 2.833 334 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 334 T C 1.858 176.553 174.700 -0.009 0.000 1.054 334 T CA 1.698 63.809 62.100 0.018 0.000 1.135 334 T CB -0.646 68.231 68.868 0.016 0.000 0.869 334 T HN 0.156 nan 8.240 nan 0.000 0.466 335 T N 2.073 116.624 114.554 -0.006 0.000 2.708 335 T HA -0.085 4.264 4.350 -0.001 0.000 0.266 335 T C 2.195 176.867 174.700 -0.047 0.000 1.037 335 T CA 1.606 63.695 62.100 -0.017 0.000 1.146 335 T CB -0.641 68.225 68.868 -0.003 0.000 0.865 335 T HN 0.455 nan 8.240 nan 0.000 0.435 336 V N 1.067 120.952 119.914 -0.050 0.000 2.548 336 V HA 0.098 4.218 4.120 -0.001 0.000 0.249 336 V C 2.513 178.412 176.094 -0.325 0.000 1.055 336 V CA 1.585 63.825 62.300 -0.101 0.000 1.065 336 V CB -1.137 30.676 31.823 -0.016 0.000 0.681 336 V HN 0.429 nan 8.190 nan 0.000 0.462 337 A N 1.179 123.807 122.820 -0.318 0.000 1.933 337 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 337 A C 2.542 179.960 177.584 -0.277 0.000 1.175 337 A CA 2.771 54.517 52.037 -0.484 0.000 0.628 337 A CB -1.263 17.683 19.000 -0.091 0.000 0.814 337 A HN 0.851 nan 8.150 nan 0.000 0.444 338 T N -3.231 111.237 114.554 -0.144 0.000 2.978 338 T HA -0.035 4.315 4.350 -0.001 0.000 0.262 338 T C 1.789 176.444 174.700 -0.075 0.000 1.063 338 T CA 1.432 63.482 62.100 -0.083 0.000 1.140 338 T CB -0.131 68.713 68.868 -0.041 0.000 0.886 338 T HN 0.577 nan 8.240 nan 0.000 0.470 339 Q N 0.450 120.200 119.800 -0.083 0.000 2.390 339 Q HA 0.492 4.832 4.340 -0.001 0.000 0.216 339 Q C 1.165 177.145 176.000 -0.033 0.000 0.916 339 Q CA 0.222 56.000 55.803 -0.041 0.000 0.911 339 Q CB 0.335 29.065 28.738 -0.013 0.000 1.035 339 Q HN 0.623 nan 8.270 nan 0.000 0.541 340 A N 1.169 123.946 122.820 -0.072 0.000 2.462 340 A HA 0.480 4.800 4.320 -0.001 0.000 0.243 340 A C 0.622 178.209 177.584 0.005 0.000 1.076 340 A CA 0.300 52.325 52.037 -0.020 0.000 0.773 340 A CB 0.126 19.096 19.000 -0.050 0.000 1.010 340 A HN 0.263 nan 8.150 nan 0.000 0.493 341 G N 0.455 109.305 108.800 0.083 0.000 2.611 341 G HA2 0.345 4.304 3.960 -0.001 0.000 0.273 341 G HA3 0.345 4.304 3.960 -0.001 0.000 0.273 341 G C 1.121 176.084 174.900 0.106 0.000 1.305 341 G CA 0.318 45.475 45.100 0.094 0.000 1.010 341 G HN 0.842 nan 8.290 nan 0.000 0.509 342 S N -0.533 115.218 115.700 0.085 0.000 2.353 342 S HA -0.149 4.320 4.470 -0.001 0.000 0.222 342 S C 2.395 177.043 174.600 0.081 0.000 1.035 342 S CA 1.220 59.468 58.200 0.079 0.000 1.025 342 S CB -0.445 62.775 63.200 0.035 0.000 0.902 342 S HN 0.390 nan 8.310 nan 0.000 0.440 343 L N 0.406 121.674 121.223 0.075 0.000 2.027 343 L HA -0.067 4.273 4.340 -0.001 0.000 0.206 343 L C 2.521 179.429 176.870 0.062 0.000 1.074 343 L CA 0.914 55.806 54.840 0.088 0.000 0.745 343 L CB -0.527 41.621 42.059 0.148 0.000 0.898 343 L HN 0.267 nan 8.230 nan 0.000 0.433 344 L N -0.826 120.428 121.223 0.052 0.000 2.056 344 L HA -0.239 4.100 4.340 -0.001 0.000 0.207 344 L C 2.510 179.373 176.870 -0.011 0.000 1.078 344 L CA 1.785 56.526 54.840 -0.165 0.000 0.749 344 L CB -0.777 41.174 42.059 -0.180 0.000 0.901 344 L HN 0.238 nan 8.230 nan 0.000 0.433 345 H N -1.399 117.644 119.070 -0.044 0.000 2.353 345 H HA -0.134 4.422 4.556 -0.001 0.000 0.300 345 H C 2.112 177.425 175.328 -0.024 0.000 1.090 345 H CA 1.191 57.223 56.048 -0.026 0.000 1.327 345 H CB 0.399 30.159 29.762 -0.004 0.000 1.383 345 H HN 0.439 nan 8.280 nan 0.000 0.508 346 S N 0.946 116.641 115.700 -0.009 0.000 2.359 346 S HA -0.183 4.287 4.470 -0.001 0.000 0.224 346 S C 2.271 176.841 174.600 -0.050 0.000 1.035 346 S CA 1.066 59.227 58.200 -0.066 0.000 1.018 346 S CB -0.425 62.758 63.200 -0.028 0.000 0.876 346 S HN 0.359 nan 8.310 nan 0.000 0.448 347 L N 1.183 122.385 121.223 -0.035 0.000 2.017 347 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 347 L C 2.380 179.239 176.870 -0.017 0.000 1.073 347 L CA 1.233 56.051 54.840 -0.037 0.000 0.745 347 L CB -0.448 41.558 42.059 -0.089 0.000 0.894 347 L HN 0.217 nan 8.230 nan 0.000 0.432 348 V N -0.288 119.618 119.914 -0.012 0.000 2.343 348 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 348 V C 2.389 178.504 176.094 0.036 0.000 1.051 348 V CA 1.367 63.689 62.300 0.035 0.000 1.036 348 V CB -0.363 31.498 31.823 0.064 0.000 0.654 348 V HN 0.293 nan 8.190 nan 0.000 0.451 349 L N -0.411 120.802 121.223 -0.017 0.000 2.056 349 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 349 L C 2.494 179.349 176.870 -0.026 0.000 1.078 349 L CA 1.770 56.583 54.840 -0.046 0.000 0.749 349 L CB -1.143 40.828 42.059 -0.147 0.000 0.901 349 L HN 0.243 nan 8.230 nan 0.000 0.433 350 R N -0.725 119.760 120.500 -0.025 0.000 2.081 350 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 350 R C 2.196 178.499 176.300 0.006 0.000 1.131 350 R CA 1.287 57.380 56.100 -0.013 0.000 0.960 350 R CB -0.150 30.142 30.300 -0.014 0.000 0.856 350 R HN 0.349 nan 8.270 nan 0.000 0.436 351 A N 0.653 123.489 122.820 0.026 0.000 1.940 351 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 351 A C 2.005 179.599 177.584 0.017 0.000 1.176 351 A CA 1.220 53.284 52.037 0.045 0.000 0.631 351 A CB -0.365 18.703 19.000 0.113 0.000 0.814 351 A HN 0.339 nan 8.150 nan 0.000 0.446 352 Q N -0.217 119.593 119.800 0.018 0.000 2.167 352 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 352 Q C 1.830 177.828 176.000 -0.003 0.000 0.970 352 Q CA 1.417 57.221 55.803 0.003 0.000 0.855 352 Q CB -0.333 28.413 28.738 0.014 0.000 0.911 352 Q HN 0.811 nan 8.270 nan 0.000 0.438 353 E N 0.435 120.634 120.200 -0.001 0.000 2.077 353 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 353 E C 1.978 178.581 176.600 0.005 0.000 0.989 353 E CA 0.673 57.073 56.400 -0.001 0.000 0.800 353 E CB -0.112 29.585 29.700 -0.004 0.000 0.746 353 E HN 0.108 nan 8.360 nan 0.000 0.452 354 L N 0.864 122.093 121.223 0.010 0.000 2.131 354 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 354 L C 2.186 179.070 176.870 0.023 0.000 1.092 354 L CA 1.196 56.049 54.840 0.022 0.000 0.759 354 L CB -0.173 41.907 42.059 0.035 0.000 0.903 354 L HN -0.069 nan 8.230 nan 0.000 0.435 355 V N -0.854 119.060 119.914 0.000 0.000 2.343 355 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 355 V C 2.449 178.541 176.094 -0.004 0.000 1.051 355 V CA 1.516 63.806 62.300 -0.017 0.000 1.036 355 V CB -0.601 31.189 31.823 -0.055 0.000 0.654 355 V HN 0.384 nan 8.190 nan 0.000 0.451 356 L N -0.382 120.840 121.223 -0.001 0.000 2.093 356 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 356 L C 2.491 179.371 176.870 0.017 0.000 1.085 356 L CA 1.800 56.642 54.840 0.003 0.000 0.755 356 L CB -0.881 41.179 42.059 0.001 0.000 0.904 356 L HN 0.327 nan 8.230 nan 0.000 0.435 357 Q N -0.890 118.923 119.800 0.021 0.000 2.084 357 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 357 Q C 2.271 178.296 176.000 0.041 0.000 0.978 357 Q CA 1.593 57.413 55.803 0.029 0.000 0.844 357 Q CB -0.179 28.573 28.738 0.025 0.000 0.898 357 Q HN 0.492 nan 8.270 nan 0.000 0.426 358 L N 0.227 121.480 121.223 0.050 0.000 2.217 358 L HA -0.140 4.199 4.340 -0.001 0.000 0.211 358 L C 2.306 179.219 176.870 0.071 0.000 1.107 358 L CA 0.461 55.344 54.840 0.072 0.000 0.783 358 L CB -0.244 41.879 42.059 0.107 0.000 0.919 358 L HN 0.187 nan 8.230 nan 0.000 0.442 359 L N -0.452 120.801 121.223 0.049 0.000 2.093 359 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 359 L C 2.751 179.663 176.870 0.070 0.000 1.085 359 L CA 0.992 55.860 54.840 0.047 0.000 0.755 359 L CB -0.530 41.538 42.059 0.014 0.000 0.904 359 L HN 0.227 nan 8.230 nan 0.000 0.435 360 A N -0.407 122.453 122.820 0.067 0.000 2.066 360 A HA -0.044 4.275 4.320 -0.001 0.000 0.218 360 A C 2.024 179.690 177.584 0.137 0.000 1.157 360 A CA 0.941 53.031 52.037 0.088 0.000 0.670 360 A CB -0.398 18.642 19.000 0.067 0.000 0.804 360 A HN 0.404 nan 8.150 nan 0.000 0.453 361 L N -1.081 120.206 121.223 0.106 0.000 2.592 361 L HA 0.049 4.389 4.340 -0.001 0.000 0.227 361 L C 0.205 177.161 176.870 0.144 0.000 1.127 361 L CA 0.050 54.933 54.840 0.071 0.000 0.884 361 L CB -0.309 41.727 42.059 -0.039 0.000 1.065 361 L HN 0.470 nan 8.230 nan 0.000 0.457 362 Q N 0.762 120.676 119.800 0.189 0.000 2.463 362 Q HA -0.200 4.139 4.340 -0.001 0.000 0.299 362 Q C 0.025 176.134 176.000 0.182 0.000 1.353 362 Q CA 0.283 56.212 55.803 0.211 0.000 0.828 362 Q CB -1.456 27.479 28.738 0.327 0.000 1.157 362 Q HN 0.385 nan 8.270 nan 0.000 0.436 363 L N 2.100 123.410 121.223 0.145 0.000 2.540 363 L HA 0.013 4.352 4.340 -0.001 0.000 0.276 363 L C 0.664 177.650 176.870 0.193 0.000 1.212 363 L CA 1.049 55.985 54.840 0.160 0.000 0.893 363 L CB 0.291 42.456 42.059 0.177 0.000 1.138 363 L HN 0.366 nan 8.230 nan 0.000 0.491 364 D N 3.222 123.732 120.400 0.183 0.000 2.497 364 D HA 0.218 4.858 4.640 -0.001 0.000 0.243 364 D C 0.673 177.040 176.300 0.111 0.000 1.039 364 D CA -0.779 53.326 54.000 0.175 0.000 1.052 364 D CB 0.826 41.730 40.800 0.173 0.000 1.344 364 D HN 0.408 nan 8.370 nan 0.000 0.553 365 R N -0.822 119.748 120.500 0.117 0.000 2.120 365 R HA -0.172 4.167 4.340 -0.001 0.000 0.234 365 R C 1.467 177.770 176.300 0.005 0.000 1.123 365 R CA 1.572 57.722 56.100 0.083 0.000 0.975 365 R CB -0.013 30.363 30.300 0.127 0.000 0.866 365 R HN 0.420 nan 8.270 nan 0.000 0.446 366 Q N 0.327 120.060 119.800 -0.111 0.000 2.079 366 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 366 Q C 1.699 177.488 176.000 -0.352 0.000 0.974 366 Q CA 1.870 57.474 55.803 -0.332 0.000 0.840 366 Q CB 0.103 28.398 28.738 -0.739 0.000 0.898 366 Q HN 0.444 nan 8.270 nan 0.000 0.430 367 E N -0.644 119.407 120.200 -0.249 0.000 2.107 367 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 367 E C 1.533 178.121 176.600 -0.020 0.000 0.982 367 E CA 0.706 57.041 56.400 -0.109 0.000 0.809 367 E CB -0.162 29.557 29.700 0.032 0.000 0.756 367 E HN 0.295 nan 8.360 nan 0.000 0.459 368 F N 1.619 121.439 119.950 -0.218 0.000 2.069 368 F HA -0.237 4.290 4.527 -0.001 0.000 0.298 368 F C 2.189 177.904 175.800 -0.142 0.000 1.113 368 F CA 1.688 59.494 58.000 -0.324 0.000 1.214 368 F CB -0.671 37.709 39.000 -1.033 0.000 0.978 368 F HN -0.058 nan 8.300 nan 0.000 0.474 369 V N -1.187 118.444 119.914 -0.471 0.000 2.626 369 V HA -0.206 3.914 4.120 -0.001 0.000 0.252 369 V C 2.446 178.442 176.094 -0.164 0.000 1.067 369 V CA 1.702 63.722 62.300 -0.467 0.000 1.081 369 V CB -1.746 29.954 31.823 -0.204 0.000 0.686 369 V HN 0.648 nan 8.190 nan 0.000 0.468 370 C N -0.271 118.964 119.300 -0.109 0.000 2.446 370 C HA 0.023 4.482 4.460 -0.001 0.000 0.277 370 C C 2.523 177.552 174.990 0.064 0.000 1.275 370 C CA 1.013 60.027 59.018 -0.007 0.000 1.727 370 C CB -1.153 26.563 27.740 -0.041 0.000 2.010 370 C HN 0.588 nan 8.230 nan 0.000 0.486 371 L N 1.999 123.217 121.223 -0.007 0.000 2.093 371 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 371 L C 2.644 179.444 176.870 -0.116 0.000 1.085 371 L CA 2.184 56.981 54.840 -0.072 0.000 0.755 371 L CB -1.045 40.962 42.059 -0.087 0.000 0.904 371 L HN 0.545 nan 8.230 nan 0.000 0.435 372 K N -1.854 118.514 120.400 -0.054 0.000 2.217 372 K HA -0.186 4.134 4.320 -0.001 0.000 0.202 372 K C 2.250 178.989 176.600 0.233 0.000 1.051 372 K CA 1.097 57.362 56.287 -0.037 0.000 0.952 372 K CB -0.659 31.668 32.500 -0.288 0.000 0.736 372 K HN 0.145 nan 8.250 nan 0.000 0.453 373 F N 2.249 122.320 119.950 0.202 0.000 2.186 373 F HA 0.026 4.553 4.527 -0.001 0.000 0.299 373 F C 1.865 177.828 175.800 0.272 0.000 1.090 373 F CA 0.962 59.160 58.000 0.330 0.000 1.307 373 F CB 0.027 39.170 39.000 0.238 0.000 1.019 373 F HN -0.123 nan 8.300 nan 0.000 0.489 374 I N -0.020 120.702 120.570 0.253 0.000 2.226 374 I HA -0.322 3.847 4.170 -0.001 0.000 0.245 374 I C 2.289 178.431 176.117 0.041 0.000 1.100 374 I CA 1.405 62.784 61.300 0.132 0.000 1.374 374 I CB -0.428 37.619 38.000 0.077 0.000 1.057 374 I HN 0.127 nan 8.210 nan 0.000 0.413 375 I N -0.034 120.525 120.570 -0.018 0.000 2.179 375 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 375 I C 2.490 178.591 176.117 -0.028 0.000 1.088 375 I CA 1.053 62.319 61.300 -0.058 0.000 1.357 375 I CB -0.308 37.623 38.000 -0.114 0.000 1.051 375 I HN 0.220 nan 8.210 nan 0.000 0.409 376 L N 0.439 121.655 121.223 -0.011 0.000 2.043 376 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 376 L C 1.664 178.342 176.870 -0.319 0.000 1.075 376 L CA 2.105 56.856 54.840 -0.149 0.000 0.752 376 L CB -0.597 41.334 42.059 -0.214 0.000 0.891 376 L HN 0.105 nan 8.230 nan 0.000 0.432 377 F N -1.079 118.767 119.950 -0.173 0.000 2.641 377 F HA 0.190 4.716 4.527 -0.001 0.000 0.302 377 F C 1.543 177.316 175.800 -0.045 0.000 1.098 377 F CA 0.203 58.127 58.000 -0.126 0.000 1.318 377 F CB -0.350 38.506 39.000 -0.240 0.000 1.035 377 F HN 0.126 nan 8.300 nan 0.000 0.551 378 S N 1.203 116.949 115.700 0.076 0.000 3.811 378 S HA 0.342 4.812 4.470 -0.001 0.000 0.205 378 S C -0.435 174.200 174.600 0.059 0.000 1.445 378 S CA -0.330 57.904 58.200 0.056 0.000 1.097 378 S CB -0.627 62.575 63.200 0.003 0.000 1.350 378 S HN 0.248 nan 8.310 nan 0.000 0.471 379 L N 0.966 122.251 121.223 0.104 0.000 2.401 379 L HA 0.644 4.984 4.340 -0.001 0.000 0.266 379 L C -0.858 176.132 176.870 0.200 0.000 0.991 379 L CA -0.444 54.482 54.840 0.143 0.000 0.818 379 L CB 2.031 44.164 42.059 0.124 0.000 1.321 379 L HN 0.208 nan 8.230 nan 0.000 0.413 380 D N 2.505 123.073 120.400 0.279 0.000 2.424 380 D HA 0.125 4.764 4.640 -0.001 0.000 0.244 380 D C 1.298 177.685 176.300 0.144 0.000 1.134 380 D CA 0.331 54.440 54.000 0.183 0.000 0.881 380 D CB 0.904 41.785 40.800 0.135 0.000 1.191 380 D HN 0.627 nan 8.370 nan 0.000 0.445 381 L N 3.539 124.797 121.223 0.058 0.000 2.129 381 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 381 L C 2.406 179.313 176.870 0.063 0.000 1.087 381 L CA 1.422 56.314 54.840 0.087 0.000 0.757 381 L CB -0.615 41.445 42.059 0.001 0.000 0.896 381 L HN 0.614 nan 8.230 nan 0.000 0.434 382 K N 0.097 120.391 120.400 -0.176 0.000 2.211 382 K HA -0.194 4.126 4.320 -0.001 0.000 0.204 382 K C 1.685 178.168 176.600 -0.194 0.000 1.047 382 K CA 1.677 57.803 56.287 -0.269 0.000 0.935 382 K CB -0.584 31.623 32.500 -0.488 0.000 0.728 382 K HN 0.241 nan 8.250 nan 0.000 0.452 383 F N 1.594 121.593 119.950 0.080 0.000 2.802 383 F HA 0.203 4.730 4.527 -0.001 0.000 0.300 383 F C 0.767 176.601 175.800 0.057 0.000 1.168 383 F CA -0.174 57.861 58.000 0.060 0.000 1.433 383 F CB 0.067 39.092 39.000 0.041 0.000 1.115 383 F HN -0.117 nan 8.300 nan 0.000 0.582 384 L N -0.863 120.480 121.223 0.201 0.000 2.309 384 L HA 0.355 4.695 4.340 -0.001 0.000 0.261 384 L C 0.745 177.612 176.870 -0.005 0.000 1.021 384 L CA -0.939 53.964 54.840 0.105 0.000 0.823 384 L CB 1.301 43.424 42.059 0.107 0.000 1.366 384 L HN -0.232 nan 8.230 nan 0.000 0.423 385 N N 0.224 118.876 118.700 -0.081 0.000 2.109 385 N HA -0.087 4.653 4.740 -0.001 0.000 0.188 385 N C 0.426 175.722 175.510 -0.356 0.000 1.034 385 N CA 1.045 53.983 53.050 -0.186 0.000 0.846 385 N CB -0.060 38.358 38.487 -0.115 0.000 1.010 385 N HN 0.487 nan 8.380 nan 0.000 0.425 386 N N 1.160 119.733 118.700 -0.212 0.000 2.555 386 N HA 0.030 4.770 4.740 -0.001 0.000 0.244 386 N C 0.435 175.880 175.510 -0.109 0.000 1.114 386 N CA 0.109 53.053 53.050 -0.176 0.000 0.963 386 N CB 0.084 38.526 38.487 -0.075 0.000 1.276 386 N HN 0.303 nan 8.380 nan 0.000 0.510 387 H N 2.283 121.361 119.070 0.013 0.000 2.307 387 H HA -0.051 4.505 4.556 -0.001 0.000 0.303 387 H C 1.996 177.333 175.328 0.015 0.000 1.073 387 H CA 1.257 57.314 56.048 0.015 0.000 1.338 387 H CB 0.437 30.200 29.762 0.001 0.000 1.389 387 H HN 0.490 nan 8.280 nan 0.000 0.503 388 I N 0.907 121.548 120.570 0.117 0.000 2.145 388 I HA -0.307 3.863 4.170 -0.001 0.000 0.244 388 I C 1.684 177.826 176.117 0.042 0.000 1.075 388 I CA 1.590 62.930 61.300 0.068 0.000 1.332 388 I CB -0.044 37.977 38.000 0.037 0.000 1.033 388 I HN 0.211 nan 8.210 nan 0.000 0.410 389 L N -0.508 120.734 121.223 0.033 0.000 2.162 389 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 389 L C 2.444 179.315 176.870 0.002 0.000 1.086 389 L CA 0.481 55.330 54.840 0.015 0.000 0.778 389 L CB -0.386 41.685 42.059 0.019 0.000 0.928 389 L HN 0.112 nan 8.230 nan 0.000 0.446 390 V N 0.291 120.243 119.914 0.063 0.000 2.427 390 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 390 V C 2.525 178.637 176.094 0.030 0.000 1.051 390 V CA 1.762 64.121 62.300 0.098 0.000 1.048 390 V CB -0.477 31.491 31.823 0.240 0.000 0.666 390 V HN 0.429 nan 8.190 nan 0.000 0.456 391 K N 0.287 120.717 120.400 0.050 0.000 2.057 391 K HA -0.250 4.070 4.320 -0.001 0.000 0.206 391 K C 1.930 178.531 176.600 0.003 0.000 1.050 391 K CA 1.996 58.304 56.287 0.035 0.000 0.935 391 K CB -0.253 32.272 32.500 0.042 0.000 0.715 391 K HN 0.479 nan 8.250 nan 0.000 0.439 392 D N 0.011 120.404 120.400 -0.012 0.000 2.117 392 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 392 D C 1.684 177.956 176.300 -0.048 0.000 0.987 392 D CA 1.484 55.471 54.000 -0.022 0.000 0.829 392 D CB -0.051 40.736 40.800 -0.021 0.000 0.961 392 D HN 0.332 nan 8.370 nan 0.000 0.460 393 A N -0.054 122.689 122.820 -0.128 0.000 1.902 393 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 393 A C 2.189 179.719 177.584 -0.090 0.000 1.181 393 A CA 1.605 53.523 52.037 -0.199 0.000 0.623 393 A CB -0.683 17.858 19.000 -0.764 0.000 0.818 393 A HN 0.333 nan 8.150 nan 0.000 0.443 394 Q N -0.577 119.171 119.800 -0.086 0.000 2.084 394 Q HA -0.186 4.154 4.340 -0.001 0.000 0.202 394 Q C 2.013 178.051 176.000 0.063 0.000 0.978 394 Q CA 1.714 57.533 55.803 0.027 0.000 0.844 394 Q CB -0.135 28.637 28.738 0.056 0.000 0.898 394 Q HN 0.778 nan 8.270 nan 0.000 0.426 395 E N 0.300 120.524 120.200 0.039 0.000 2.046 395 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 395 E C 1.951 178.578 176.600 0.045 0.000 0.982 395 E CA 0.586 57.012 56.400 0.044 0.000 0.800 395 E CB 0.127 29.841 29.700 0.024 0.000 0.756 395 E HN 0.137 nan 8.360 nan 0.000 0.449 396 K N 0.572 120.990 120.400 0.029 0.000 2.147 396 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 396 K C 2.051 178.674 176.600 0.039 0.000 1.049 396 K CA 1.005 57.302 56.287 0.017 0.000 0.936 396 K CB -0.108 32.385 32.500 -0.012 0.000 0.722 396 K HN 0.063 nan 8.250 nan 0.000 0.446 397 A N 1.732 124.614 122.820 0.103 0.000 1.898 397 A HA -0.125 4.195 4.320 -0.001 0.000 0.214 397 A C 1.927 179.607 177.584 0.160 0.000 1.183 397 A CA 1.223 53.355 52.037 0.159 0.000 0.622 397 A CB -0.300 18.920 19.000 0.367 0.000 0.824 397 A HN 0.208 nan 8.150 nan 0.000 0.444 398 N N 0.544 119.348 118.700 0.174 0.000 2.142 398 N HA -0.051 4.688 4.740 -0.001 0.000 0.186 398 N C 1.860 177.474 175.510 0.174 0.000 1.023 398 N CA 1.503 54.711 53.050 0.263 0.000 0.852 398 N CB -0.513 38.137 38.487 0.272 0.000 0.998 398 N HN 0.420 nan 8.380 nan 0.000 0.424 399 A N 0.716 123.574 122.820 0.063 0.000 1.933 399 A HA -0.014 4.305 4.320 -0.001 0.000 0.218 399 A C 2.306 179.890 177.584 -0.000 0.000 1.175 399 A CA 1.955 53.981 52.037 -0.019 0.000 0.628 399 A CB -0.864 18.128 19.000 -0.013 0.000 0.814 399 A HN 0.315 nan 8.150 nan 0.000 0.444 400 A N -0.611 122.233 122.820 0.041 0.000 1.902 400 A HA -0.018 4.302 4.320 -0.001 0.000 0.217 400 A C 2.137 179.786 177.584 0.109 0.000 1.181 400 A CA 1.699 53.768 52.037 0.052 0.000 0.623 400 A CB -0.591 18.417 19.000 0.013 0.000 0.818 400 A HN 0.658 nan 8.150 nan 0.000 0.443 401 L N -0.504 120.811 121.223 0.153 0.000 2.056 401 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 401 L C 2.225 179.257 176.870 0.270 0.000 1.078 401 L CA 1.549 56.536 54.840 0.245 0.000 0.749 401 L CB -0.366 41.890 42.059 0.328 0.000 0.901 401 L HN 0.431 nan 8.230 nan 0.000 0.433 402 L N -0.649 120.611 121.223 0.062 0.000 2.017 402 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 402 L C 2.131 178.971 176.870 -0.051 0.000 1.073 402 L CA 2.457 57.155 54.840 -0.236 0.000 0.745 402 L CB -0.607 41.019 42.059 -0.722 0.000 0.894 402 L HN 0.437 nan 8.230 nan 0.000 0.432 403 D N -1.486 118.912 120.400 -0.005 0.000 2.117 403 D HA -0.305 4.335 4.640 -0.001 0.000 0.197 403 D C 2.058 178.435 176.300 0.127 0.000 0.987 403 D CA 1.499 55.521 54.000 0.036 0.000 0.829 403 D CB -0.162 40.666 40.800 0.046 0.000 0.961 403 D HN 0.426 nan 8.370 nan 0.000 0.460 404 Y N 0.459 120.819 120.300 0.099 0.000 2.184 404 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 404 Y C 2.487 178.541 175.900 0.256 0.000 1.129 404 Y CA 2.270 60.498 58.100 0.212 0.000 1.144 404 Y CB -0.719 37.804 38.460 0.105 0.000 0.995 404 Y HN 0.096 nan 8.280 nan 0.000 0.513 405 T N -1.523 113.192 114.554 0.268 0.000 2.867 405 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 405 T C 1.767 176.526 174.700 0.099 0.000 1.057 405 T CA 1.307 63.517 62.100 0.184 0.000 1.136 405 T CB -0.732 68.263 68.868 0.212 0.000 0.874 405 T HN 0.247 nan 8.240 nan 0.000 0.466 406 L N 0.629 121.886 121.223 0.056 0.000 2.093 406 L HA 0.166 4.506 4.340 -0.001 0.000 0.208 406 L C 2.632 179.464 176.870 -0.062 0.000 1.085 406 L CA 0.825 55.670 54.840 0.009 0.000 0.755 406 L CB -0.815 41.233 42.059 -0.019 0.000 0.904 406 L HN 0.438 nan 8.230 nan 0.000 0.435 407 C N -1.937 117.282 119.300 -0.134 0.000 2.533 407 C HA 0.014 4.473 4.460 -0.001 0.000 0.272 407 C C 2.264 176.936 174.990 -0.530 0.000 1.371 407 C CA 0.195 59.021 59.018 -0.321 0.000 1.758 407 C CB -1.003 26.501 27.740 -0.395 0.000 1.972 407 C HN 0.599 nan 8.230 nan 0.000 0.522 408 H N -3.759 115.146 119.070 -0.275 0.000 2.855 408 H HA 0.172 4.728 4.556 -0.000 0.000 0.259 408 H C 0.189 175.396 175.328 -0.202 0.000 0.972 408 H CA 0.393 56.253 56.048 -0.315 0.000 1.213 408 H CB 0.335 29.696 29.762 -0.669 0.000 1.451 408 H HN 0.411 nan 8.280 nan 0.000 0.484 409 Y N 2.929 123.100 120.300 -0.215 0.000 2.837 409 Y HA 0.291 4.841 4.550 -0.000 0.000 0.356 409 Y C -2.372 173.353 175.900 -0.292 0.000 1.035 409 Y CA -2.750 55.157 58.100 -0.322 0.000 1.165 409 Y CB 1.372 39.765 38.460 -0.112 0.000 1.147 409 Y HN 0.011 nan 8.280 nan 0.000 0.628 410 P HA 0.073 nan 4.420 nan 0.000 0.253 410 P C -0.541 176.747 177.300 -0.021 0.000 1.508 410 P CA 0.661 63.677 63.100 -0.140 0.000 0.883 410 P CB -0.291 31.343 31.700 -0.109 0.000 1.519 411 H N -0.741 118.194 119.070 -0.225 0.000 2.497 411 H HA 0.363 4.919 4.556 -0.001 0.000 0.348 411 H C 0.951 176.269 175.328 -0.017 0.000 1.335 411 H CA -0.988 54.897 56.048 -0.271 0.000 1.395 411 H CB 0.860 30.175 29.762 -0.745 0.000 1.658 411 H HN -0.022 nan 8.280 nan 0.000 0.613 412 S N 0.222 116.013 115.700 0.152 0.000 2.593 412 S HA 0.420 4.889 4.470 -0.001 0.000 0.269 412 S C 0.452 175.206 174.600 0.256 0.000 1.334 412 S CA 0.047 58.340 58.200 0.155 0.000 1.015 412 S CB 0.433 63.685 63.200 0.087 0.000 0.912 412 S HN 1.152 nan 8.310 nan 0.000 0.541 413 G N 1.387 110.300 108.800 0.188 0.000 2.879 413 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.686 413 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.686 413 G C -0.786 174.224 174.900 0.184 0.000 1.115 413 G CA -0.244 44.962 45.100 0.177 0.000 0.770 413 G HN 1.035 nan 8.290 nan 0.000 0.601 414 D N 1.403 121.879 120.400 0.127 0.000 2.374 414 D HA 0.205 4.844 4.640 -0.001 0.000 0.240 414 D C 1.358 177.713 176.300 0.092 0.000 1.229 414 D CA -0.314 53.763 54.000 0.128 0.000 0.895 414 D CB 0.980 41.855 40.800 0.124 0.000 1.046 414 D HN 0.560 nan 8.370 nan 0.000 0.498 415 K N 3.498 123.934 120.400 0.059 0.000 2.103 415 K HA -0.151 4.169 4.320 -0.001 0.000 0.204 415 K C 1.744 178.354 176.600 0.018 0.000 1.052 415 K CA 0.609 56.839 56.287 -0.096 0.000 0.945 415 K CB -0.185 32.078 32.500 -0.396 0.000 0.722 415 K HN 0.385 nan 8.250 nan 0.000 0.443 416 F N 2.000 121.933 119.950 -0.028 0.000 2.065 416 F HA -0.288 4.238 4.527 -0.001 0.000 0.298 416 F C 2.373 178.168 175.800 -0.007 0.000 1.112 416 F CA 2.122 60.121 58.000 -0.001 0.000 1.212 416 F CB -0.557 38.455 39.000 0.020 0.000 0.975 416 F HN 0.134 nan 8.300 nan 0.000 0.476 417 Q N 0.582 120.360 119.800 -0.036 0.000 2.119 417 Q HA -0.190 4.150 4.340 -0.001 0.000 0.201 417 Q C 2.206 178.119 176.000 -0.145 0.000 0.972 417 Q CA 1.956 57.669 55.803 -0.149 0.000 0.847 417 Q CB -0.492 28.269 28.738 0.039 0.000 0.903 417 Q HN 0.650 nan 8.270 nan 0.000 0.433 418 Q N -0.599 119.153 119.800 -0.080 0.000 2.084 418 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 418 Q C 2.109 178.053 176.000 -0.095 0.000 0.978 418 Q CA 1.370 57.131 55.803 -0.069 0.000 0.844 418 Q CB -0.091 28.618 28.738 -0.048 0.000 0.898 418 Q HN 0.374 nan 8.270 nan 0.000 0.426 419 L N 0.271 121.420 121.223 -0.123 0.000 2.093 419 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 419 L C 2.244 179.008 176.870 -0.177 0.000 1.085 419 L CA 0.818 55.586 54.840 -0.119 0.000 0.755 419 L CB -0.381 41.621 42.059 -0.094 0.000 0.904 419 L HN 0.284 nan 8.230 nan 0.000 0.435 420 L N -0.887 120.172 121.223 -0.275 0.000 2.083 420 L HA -0.238 4.102 4.340 -0.001 0.000 0.209 420 L C 2.538 179.304 176.870 -0.172 0.000 1.083 420 L CA 0.750 55.425 54.840 -0.274 0.000 0.752 420 L CB -0.424 41.402 42.059 -0.389 0.000 0.899 420 L HN 0.253 nan 8.230 nan 0.000 0.433 421 L N -0.621 120.520 121.223 -0.137 0.000 2.131 421 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 421 L C 2.556 179.382 176.870 -0.073 0.000 1.092 421 L CA 1.520 56.307 54.840 -0.088 0.000 0.759 421 L CB -0.622 41.400 42.059 -0.063 0.000 0.903 421 L HN 0.298 nan 8.230 nan 0.000 0.435 422 C N -1.581 117.674 119.300 -0.075 0.000 2.440 422 C HA -0.115 4.345 4.460 -0.001 0.000 0.278 422 C C 2.612 177.554 174.990 -0.080 0.000 1.295 422 C CA 0.182 59.169 59.018 -0.050 0.000 1.738 422 C CB -0.824 26.902 27.740 -0.023 0.000 1.987 422 C HN 0.434 nan 8.230 nan 0.000 0.492 423 L N 0.448 121.589 121.223 -0.136 0.000 2.131 423 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 423 L C 2.494 179.290 176.870 -0.123 0.000 1.092 423 L CA 1.582 56.315 54.840 -0.179 0.000 0.759 423 L CB -0.988 40.943 42.059 -0.212 0.000 0.903 423 L HN 0.173 nan 8.230 nan 0.000 0.435 424 V N -0.699 119.157 119.914 -0.096 0.000 2.343 424 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 424 V C 2.571 178.631 176.094 -0.057 0.000 1.051 424 V CA 1.663 63.921 62.300 -0.071 0.000 1.036 424 V CB -0.410 31.377 31.823 -0.059 0.000 0.654 424 V HN 0.438 nan 8.190 nan 0.000 0.451 425 E N 0.301 120.473 120.200 -0.048 0.000 2.106 425 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 425 E C 2.011 178.597 176.600 -0.024 0.000 0.984 425 E CA 1.314 57.697 56.400 -0.029 0.000 0.806 425 E CB -0.341 29.350 29.700 -0.015 0.000 0.750 425 E HN 0.329 nan 8.360 nan 0.000 0.458 426 V N 0.736 120.629 119.914 -0.034 0.000 2.407 426 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 426 V C 2.597 178.662 176.094 -0.049 0.000 1.055 426 V CA 2.135 64.421 62.300 -0.023 0.000 1.049 426 V CB -0.529 31.257 31.823 -0.063 0.000 0.662 426 V HN 0.295 nan 8.190 nan 0.000 0.455 427 R N 0.141 120.598 120.500 -0.073 0.000 2.092 427 R HA -0.106 4.234 4.340 -0.001 0.000 0.231 427 R C 2.195 178.453 176.300 -0.069 0.000 1.119 427 R CA 1.559 57.609 56.100 -0.083 0.000 0.970 427 R CB -0.363 29.887 30.300 -0.082 0.000 0.864 427 R HN 0.477 nan 8.270 nan 0.000 0.440 428 A N 0.688 123.478 122.820 -0.050 0.000 1.929 428 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 428 A C 1.933 179.498 177.584 -0.033 0.000 1.176 428 A CA 0.711 52.724 52.037 -0.040 0.000 0.628 428 A CB -0.400 18.582 19.000 -0.030 0.000 0.816 428 A HN 0.292 nan 8.150 nan 0.000 0.444 429 L N 0.801 122.009 121.223 -0.025 0.000 2.046 429 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 429 L C 2.954 179.808 176.870 -0.028 0.000 1.077 429 L CA 2.497 57.330 54.840 -0.013 0.000 0.747 429 L CB -0.806 41.259 42.059 0.010 0.000 0.896 429 L HN 0.586 nan 8.230 nan 0.000 0.432 430 S N -1.809 113.856 115.700 -0.058 0.000 2.428 430 S HA -0.234 4.236 4.470 -0.001 0.000 0.230 430 S C 2.075 176.599 174.600 -0.127 0.000 1.014 430 S CA 1.187 59.320 58.200 -0.111 0.000 0.957 430 S CB -0.521 62.579 63.200 -0.166 0.000 0.784 430 S HN 0.458 nan 8.310 nan 0.000 0.499 431 M N 1.230 120.773 119.600 -0.095 0.000 2.099 431 M HA -0.124 4.355 4.480 -0.001 0.000 0.262 431 M C 2.473 178.758 176.300 -0.026 0.000 1.067 431 M CA 1.641 56.897 55.300 -0.073 0.000 1.124 431 M CB -0.332 32.231 32.600 -0.061 0.000 1.353 431 M HN 0.409 nan 8.290 nan 0.000 0.410 432 Q N -0.192 119.603 119.800 -0.008 0.000 2.181 432 Q HA -0.169 4.171 4.340 -0.001 0.000 0.205 432 Q C 2.047 178.088 176.000 0.069 0.000 0.980 432 Q CA 1.608 57.428 55.803 0.028 0.000 0.862 432 Q CB -0.420 28.329 28.738 0.018 0.000 0.905 432 Q HN 0.677 nan 8.270 nan 0.000 0.429 433 A N 1.815 124.659 122.820 0.040 0.000 1.898 433 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 433 A C 1.986 179.659 177.584 0.149 0.000 1.181 433 A CA 1.334 53.422 52.037 0.084 0.000 0.620 433 A CB -0.261 18.746 19.000 0.012 0.000 0.819 433 A HN 0.182 nan 8.150 nan 0.000 0.442 434 K N -0.180 120.254 120.400 0.058 0.000 2.147 434 K HA -0.157 4.163 4.320 -0.001 0.000 0.205 434 K C 1.887 178.585 176.600 0.164 0.000 1.049 434 K CA 1.621 57.965 56.287 0.095 0.000 0.936 434 K CB -0.144 32.358 32.500 0.004 0.000 0.722 434 K HN 0.635 nan 8.250 nan 0.000 0.446 435 E N -0.275 120.013 120.200 0.147 0.000 2.107 435 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 435 E C 1.787 178.550 176.600 0.272 0.000 0.982 435 E CA 0.870 57.383 56.400 0.189 0.000 0.809 435 E CB -0.123 29.646 29.700 0.117 0.000 0.756 435 E HN 0.321 nan 8.360 nan 0.000 0.459 436 Y N 1.515 121.903 120.300 0.148 0.000 2.114 436 Y HA -0.259 4.290 4.550 -0.000 0.000 0.284 436 Y C 1.994 178.035 175.900 0.234 0.000 1.143 436 Y CA 1.152 59.356 58.100 0.175 0.000 1.135 436 Y CB -0.282 38.252 38.460 0.122 0.000 0.980 436 Y HN -0.033 nan 8.280 nan 0.000 0.499 437 L N -0.260 121.058 121.223 0.158 0.000 2.013 437 L HA -0.272 4.067 4.340 -0.001 0.000 0.212 437 L C 2.346 179.284 176.870 0.113 0.000 1.073 437 L CA 2.050 56.939 54.840 0.082 0.000 0.753 437 L CB -1.864 40.318 42.059 0.206 0.000 0.890 437 L HN 0.489 nan 8.230 nan 0.000 0.432 438 Y N -0.679 119.664 120.300 0.072 0.000 2.242 438 Y HA -0.281 4.268 4.550 -0.001 0.000 0.291 438 Y C 2.932 178.898 175.900 0.110 0.000 1.137 438 Y CA 1.970 60.131 58.100 0.103 0.000 1.181 438 Y CB -0.295 38.222 38.460 0.095 0.000 0.989 438 Y HN 0.439 nan 8.280 nan 0.000 0.527 439 H N 0.407 119.484 119.070 0.011 0.000 2.290 439 H HA -0.133 4.423 4.556 -0.001 0.000 0.298 439 H C 2.020 177.241 175.328 -0.179 0.000 1.087 439 H CA 2.369 58.360 56.048 -0.095 0.000 1.291 439 H CB -0.017 29.723 29.762 -0.038 0.000 1.369 439 H HN 0.035 nan 8.280 nan 0.000 0.492 440 K N -0.308 119.901 120.400 -0.318 0.000 2.103 440 K HA -0.205 4.114 4.320 -0.001 0.000 0.207 440 K C 2.347 178.811 176.600 -0.226 0.000 1.048 440 K CA 1.760 57.855 56.287 -0.319 0.000 0.930 440 K CB -0.870 31.498 32.500 -0.220 0.000 0.716 440 K HN 0.586 nan 8.250 nan 0.000 0.444 441 H N 0.941 119.868 119.070 -0.238 0.000 2.357 441 H HA 0.044 4.599 4.556 -0.001 0.000 0.301 441 H C 1.940 177.107 175.328 -0.268 0.000 1.082 441 H CA 1.434 57.359 56.048 -0.205 0.000 1.342 441 H CB -0.176 29.491 29.762 -0.158 0.000 1.389 441 H HN 0.024 nan 8.280 nan 0.000 0.511 442 L N -0.516 120.391 121.223 -0.527 0.000 2.141 442 L HA -0.008 4.331 4.340 -0.001 0.000 0.209 442 L C 2.259 178.890 176.870 -0.398 0.000 1.094 442 L CA 1.034 55.561 54.840 -0.522 0.000 0.763 442 L CB -0.378 41.410 42.059 -0.452 0.000 0.908 442 L HN 0.507 nan 8.230 nan 0.000 0.437 443 G N -1.272 107.295 108.800 -0.390 0.000 3.314 443 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.238 443 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.238 443 G C 0.546 175.289 174.900 -0.261 0.000 1.184 443 G CA -0.222 44.690 45.100 -0.313 0.000 0.806 443 G HN 0.428 nan 8.290 nan 0.000 0.536 444 N N 0.031 118.564 118.700 -0.278 0.000 2.710 444 N HA -0.180 4.560 4.740 -0.001 0.000 0.249 444 N C 1.061 176.479 175.510 -0.152 0.000 1.059 444 N CA 1.105 54.032 53.050 -0.206 0.000 0.720 444 N CB -0.915 37.471 38.487 -0.168 0.000 0.983 444 N HN 0.615 nan 8.380 nan 0.000 0.544 445 E N -1.213 118.887 120.200 -0.166 0.000 2.474 445 E HA 0.092 4.442 4.350 -0.001 0.000 0.194 445 E C 0.275 176.866 176.600 -0.014 0.000 1.041 445 E CA 0.291 56.589 56.400 -0.170 0.000 0.874 445 E CB 0.213 29.744 29.700 -0.283 0.000 0.914 445 E HN 0.339 nan 8.360 nan 0.000 0.498 446 M N 1.298 120.938 119.600 0.068 0.000 2.314 446 M HA 0.303 4.782 4.480 -0.001 0.000 0.342 446 M C -2.208 174.172 176.300 0.133 0.000 1.171 446 M CA -2.884 52.531 55.300 0.192 0.000 1.098 446 M CB -0.224 32.460 32.600 0.141 0.000 1.559 446 M HN -0.243 nan 8.290 nan 0.000 0.459 447 P HA 0.106 nan 4.420 nan 0.000 0.266 447 P C 0.571 177.904 177.300 0.055 0.000 1.193 447 P CA 0.045 63.197 63.100 0.086 0.000 0.770 447 P CB 0.575 32.316 31.700 0.069 0.000 0.836 448 R N 1.559 122.082 120.500 0.037 0.000 2.189 448 R HA -0.065 4.274 4.340 -0.001 0.000 0.223 448 R C 0.307 176.620 176.300 0.023 0.000 1.092 448 R CA 1.241 57.358 56.100 0.027 0.000 0.989 448 R CB -0.107 30.203 30.300 0.017 0.000 0.876 448 R HN 0.525 nan 8.270 nan 0.000 0.457 449 N N 0.128 118.839 118.700 0.019 0.000 2.416 449 N HA 0.034 4.774 4.740 -0.001 0.000 0.267 449 N C -1.032 174.480 175.510 0.004 0.000 1.294 449 N CA -0.227 52.828 53.050 0.010 0.000 0.891 449 N CB 0.440 38.932 38.487 0.009 0.000 1.238 449 N HN 0.107 nan 8.380 nan 0.000 0.508 450 N N 1.460 120.163 118.700 0.006 0.000 2.412 450 N HA -0.020 4.719 4.740 -0.001 0.000 0.258 450 N C 0.940 176.424 175.510 -0.042 0.000 1.236 450 N CA 0.266 53.311 53.050 -0.007 0.000 0.882 450 N CB 0.815 39.306 38.487 0.006 0.000 1.066 450 N HN 0.272 nan 8.380 nan 0.000 0.465 451 L N 3.866 125.060 121.223 -0.049 0.000 2.131 451 L HA -0.114 4.226 4.340 -0.001 0.000 0.206 451 L C 2.185 178.896 176.870 -0.266 0.000 1.087 451 L CA 0.686 55.469 54.840 -0.095 0.000 0.767 451 L CB -0.189 41.879 42.059 0.014 0.000 0.917 451 L HN 0.602 nan 8.230 nan 0.000 0.441 452 L N -0.465 120.619 121.223 -0.232 0.000 2.141 452 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 452 L C 2.546 179.254 176.870 -0.269 0.000 1.094 452 L CA 0.757 55.404 54.840 -0.323 0.000 0.763 452 L CB -0.420 41.616 42.059 -0.039 0.000 0.908 452 L HN 0.247 nan 8.230 nan 0.000 0.437 453 I N 0.276 120.757 120.570 -0.148 0.000 2.353 453 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 453 I C 2.521 178.522 176.117 -0.193 0.000 1.119 453 I CA 1.342 62.563 61.300 -0.131 0.000 1.417 453 I CB -0.882 37.078 38.000 -0.066 0.000 1.078 453 I HN 0.401 nan 8.210 nan 0.000 0.421 454 E N 0.589 120.670 120.200 -0.197 0.000 2.153 454 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 454 E C 2.255 178.686 176.600 -0.282 0.000 0.988 454 E CA 1.124 57.410 56.400 -0.191 0.000 0.811 454 E CB 0.147 29.762 29.700 -0.141 0.000 0.746 454 E HN 0.197 nan 8.360 nan 0.000 0.466 455 M N 0.145 119.444 119.600 -0.502 0.000 2.200 455 M HA -0.070 4.409 4.480 -0.001 0.000 0.265 455 M C 2.310 178.308 176.300 -0.503 0.000 1.066 455 M CA 0.746 55.568 55.300 -0.797 0.000 1.127 455 M CB -0.726 30.782 32.600 -1.821 0.000 1.379 455 M HN 0.249 nan 8.290 nan 0.000 0.420 456 L N 0.904 121.961 121.223 -0.277 0.000 2.083 456 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 456 L C 2.323 179.187 176.870 -0.009 0.000 1.083 456 L CA 1.689 56.564 54.840 0.058 0.000 0.752 456 L CB -0.370 41.737 42.059 0.079 0.000 0.899 456 L HN 0.320 nan 8.230 nan 0.000 0.433 457 Q N -0.743 119.003 119.800 -0.091 0.000 2.403 457 Q HA 0.254 4.594 4.340 -0.001 0.000 0.203 457 Q C 0.584 176.554 176.000 -0.050 0.000 0.932 457 Q CA 0.672 56.432 55.803 -0.071 0.000 0.945 457 Q CB 0.126 28.801 28.738 -0.104 0.000 1.045 457 Q HN 0.498 nan 8.270 nan 0.000 0.511 458 A N 1.835 124.618 122.820 -0.062 0.000 3.000 458 A HA 0.257 4.577 4.320 -0.001 0.000 0.315 458 A C -0.288 177.284 177.584 -0.019 0.000 1.434 458 A CA -0.461 51.548 52.037 -0.046 0.000 1.108 458 A CB -0.266 18.691 19.000 -0.071 0.000 1.171 458 A HN 0.158 nan 8.150 nan 0.000 0.524 459 K N 1.123 121.516 120.400 -0.011 0.000 4.768 459 K HA -0.233 4.086 4.320 -0.001 0.000 0.286 459 K C -0.059 176.536 176.600 -0.009 0.000 0.770 459 K CA 0.897 57.178 56.287 -0.010 0.000 0.824 459 K CB -0.808 31.686 32.500 -0.010 0.000 1.900 459 K HN 0.896 nan 8.250 nan 0.000 0.407 460 Q N 0.000 119.801 119.800 0.001 0.000 2.315 460 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 460 Q CA 0.000 55.791 55.803 -0.021 0.000 1.022 460 Q CB 0.000 28.755 28.738 0.029 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481