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 1f9c_1_A DATA FIRST_RESID 3 DATA SEQUENCE SALIERIDAI IVDLPTIXXX XXXXXXXQQQ TLVVLRVRCS DGVEGIGEAT DATA SEQUENCE TIGGLAYGYE SPEGIKANID AHLAPALIGL AADNINAAML KLDALAKGNT DATA SEQUENCE FAKSGIESAL LDAQGKRLGL PVSELLGGRV RDSLEVAWTL ASGDTARDIA DATA SEQUENCE EARHMLEIRR HRVFKLKIGA NPVEQNLKHV VTIKRELGDS ASVRVDVNQY DATA SEQUENCE WDESQAIRAC QVLGDNGIDL IEQPISRINR GGQVRLNQRT PAPIMADESI DATA SEQUENCE ESVEDAFSLA ADGAASIFAL KIAKNGGPRA VLRTAQIAEA AGIGLYGGTM DATA SEQUENCE LEGSIGTLAS AHAFLTLRQL TWGTELFGPL LLTEEIVNEP PQYRDFQLHI DATA SEQUENCE PRTPGLGLTL DEARLARFAR 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.598 174.600 -0.003 0.000 1.055 3 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 3 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 4 A N 2.004 124.821 122.820 -0.004 0.000 2.511 4 A HA 0.607 4.927 4.320 -0.000 0.000 0.242 4 A C 0.064 177.646 177.584 -0.004 0.000 1.069 4 A CA 0.367 52.401 52.037 -0.005 0.000 0.763 4 A CB -0.380 18.616 19.000 -0.006 0.000 1.001 4 A HN 0.722 nan 8.150 nan 0.000 0.498 5 L N 1.760 122.981 121.223 -0.004 0.000 2.303 5 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 5 L C -0.374 176.494 176.870 -0.003 0.000 1.011 5 L CA -0.820 54.018 54.840 -0.003 0.000 0.818 5 L CB 1.729 43.786 42.059 -0.002 0.000 1.326 5 L HN 0.581 nan 8.230 nan 0.000 0.435 6 I N 1.093 121.661 120.570 -0.002 0.000 2.337 6 I HA 0.059 4.229 4.170 -0.000 0.000 0.291 6 I C 0.907 177.023 176.117 -0.002 0.000 1.046 6 I CA 0.263 61.562 61.300 -0.002 0.000 1.324 6 I CB 0.887 38.887 38.000 -0.001 0.000 1.409 6 I HN 0.714 nan 8.210 nan 0.000 0.494 7 E N 5.921 126.120 120.200 -0.002 0.000 2.162 7 E HA 0.089 4.439 4.350 -0.000 0.000 0.193 7 E C 0.439 177.038 176.600 -0.002 0.000 0.953 7 E CA 0.285 56.684 56.400 -0.002 0.000 0.849 7 E CB 0.539 30.237 29.700 -0.002 0.000 0.810 7 E HN 0.591 nan 8.360 nan 0.000 0.470 8 R N 0.184 120.684 120.500 -0.001 0.000 2.663 8 R HA 0.492 4.832 4.340 -0.000 0.000 0.267 8 R C -1.847 174.453 176.300 0.000 0.000 1.038 8 R CA -0.565 55.535 56.100 -0.001 0.000 0.886 8 R CB 0.910 31.209 30.300 -0.001 0.000 1.249 8 R HN -0.114 nan 8.270 nan 0.000 0.463 9 I N 2.072 122.643 120.570 0.002 0.000 2.498 9 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 9 I C -1.112 175.008 176.117 0.005 0.000 1.032 9 I CA -0.931 60.371 61.300 0.004 0.000 1.073 9 I CB 2.382 40.386 38.000 0.006 0.000 1.251 9 I HN 0.548 nan 8.210 nan 0.000 0.426 10 D N 5.617 126.021 120.400 0.006 0.000 2.375 10 D HA 0.564 5.203 4.640 -0.000 0.000 0.247 10 D C -0.626 175.681 176.300 0.012 0.000 1.061 10 D CA -0.301 53.704 54.000 0.008 0.000 0.834 10 D CB 2.472 43.277 40.800 0.008 0.000 1.247 10 D HN 0.536 nan 8.370 nan 0.000 0.489 11 A N 2.886 125.715 122.820 0.014 0.000 2.267 11 A HA 0.597 4.916 4.320 -0.000 0.000 0.315 11 A C -0.417 177.178 177.584 0.018 0.000 1.297 11 A CA -0.578 51.469 52.037 0.018 0.000 0.865 11 A CB 0.025 19.038 19.000 0.021 0.000 1.165 11 A HN 0.492 nan 8.150 nan 0.000 0.513 12 I N 3.214 123.797 120.570 0.021 0.000 2.362 12 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 12 I C -0.285 175.849 176.117 0.029 0.000 0.994 12 I CA -0.224 61.091 61.300 0.025 0.000 1.158 12 I CB 1.726 39.743 38.000 0.028 0.000 1.315 12 I HN 0.522 nan 8.210 nan 0.000 0.451 13 I N 6.812 127.399 120.570 0.028 0.000 2.396 13 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 13 I C -0.445 175.698 176.117 0.043 0.000 1.056 13 I CA -0.129 61.188 61.300 0.029 0.000 1.365 13 I CB 0.686 38.699 38.000 0.022 0.000 1.407 13 I HN 0.234 nan 8.210 nan 0.000 0.509 14 V N 6.233 126.175 119.914 0.047 0.000 2.531 14 V HA 0.314 4.434 4.120 -0.000 0.000 0.301 14 V C -0.612 175.513 176.094 0.053 0.000 1.034 14 V CA -0.807 61.538 62.300 0.074 0.000 0.865 14 V CB 1.980 33.851 31.823 0.080 0.000 0.995 14 V HN 0.577 nan 8.190 nan 0.000 0.424 15 D N 5.684 126.133 120.400 0.081 0.000 2.280 15 D HA 0.565 5.205 4.640 -0.000 0.000 0.236 15 D C -0.579 175.712 176.300 -0.015 0.000 1.082 15 D CA -0.087 53.938 54.000 0.041 0.000 0.834 15 D CB 2.467 43.306 40.800 0.065 0.000 1.100 15 D HN 0.276 nan 8.370 nan 0.000 0.486 16 L N 3.320 124.465 121.223 -0.130 0.000 2.342 16 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 16 L C -2.311 174.422 176.870 -0.228 0.000 1.008 16 L CA -2.046 52.585 54.840 -0.349 0.000 0.818 16 L CB 2.462 44.315 42.059 -0.344 0.000 1.296 16 L HN 0.076 nan 8.230 nan 0.000 0.427 17 P HA 0.180 nan 4.420 nan 0.000 0.278 17 P C -0.783 176.467 177.300 -0.084 0.000 1.238 17 P CA -0.213 62.821 63.100 -0.111 0.000 0.794 17 P CB 1.322 32.983 31.700 -0.065 0.000 0.955 18 T N -0.320 114.216 114.554 -0.030 0.000 2.807 18 T HA 0.724 5.074 4.350 -0.000 0.000 0.277 18 T C 0.709 175.423 174.700 0.025 0.000 1.006 18 T CA -0.896 61.204 62.100 0.000 0.000 1.006 18 T CB 0.516 69.389 68.868 0.008 0.000 1.274 18 T HN 0.397 nan 8.240 nan 0.000 0.569 31 Q N 1.628 121.426 119.800 -0.005 0.000 2.260 31 Q HA 0.447 4.787 4.340 -0.000 0.000 0.238 31 Q C -0.731 175.253 176.000 -0.025 0.000 0.948 31 Q CA -0.318 55.476 55.803 -0.016 0.000 0.895 31 Q CB 1.643 30.380 28.738 -0.001 0.000 1.218 31 Q HN 0.678 nan 8.270 nan 0.000 0.470 32 Q N 0.191 119.967 119.800 -0.039 0.000 2.292 32 Q HA 0.398 4.738 4.340 -0.000 0.000 0.270 32 Q C -1.530 174.448 176.000 -0.037 0.000 1.024 32 Q CA -0.195 55.584 55.803 -0.041 0.000 0.768 32 Q CB 1.663 30.376 28.738 -0.042 0.000 1.250 32 Q HN 0.503 nan 8.270 nan 0.000 0.447 33 T N 5.246 119.782 114.554 -0.029 0.000 2.767 33 T HA 0.668 5.018 4.350 -0.000 0.000 0.284 33 T C -0.453 174.239 174.700 -0.013 0.000 0.973 33 T CA -0.467 61.623 62.100 -0.017 0.000 0.996 33 T CB 0.163 69.023 68.868 -0.014 0.000 0.927 33 T HN 0.540 nan 8.240 nan 0.000 0.456 34 L N 1.585 122.807 121.223 -0.001 0.000 2.341 34 L HA 0.835 5.175 4.340 -0.000 0.000 0.267 34 L C -0.664 176.217 176.870 0.018 0.000 1.009 34 L CA -1.462 53.383 54.840 0.009 0.000 0.819 34 L CB 1.634 43.697 42.059 0.008 0.000 1.323 34 L HN 0.235 nan 8.230 nan 0.000 0.425 35 V N 2.381 122.310 119.914 0.025 0.000 2.313 35 V HA 0.289 4.409 4.120 -0.000 0.000 0.278 35 V C 0.093 176.203 176.094 0.027 0.000 1.017 35 V CA -0.559 61.757 62.300 0.026 0.000 0.823 35 V CB 1.550 33.390 31.823 0.029 0.000 1.010 35 V HN 0.487 nan 8.190 nan 0.000 0.443 36 V N 6.880 126.810 119.914 0.026 0.000 2.530 36 V HA 0.372 4.492 4.120 -0.000 0.000 0.282 36 V C 0.026 176.132 176.094 0.020 0.000 1.048 36 V CA -0.304 62.010 62.300 0.023 0.000 0.997 36 V CB 1.380 33.219 31.823 0.028 0.000 0.987 36 V HN 0.593 nan 8.190 nan 0.000 0.477 37 L N 6.222 127.454 121.223 0.014 0.000 2.317 37 L HA 0.634 4.974 4.340 -0.000 0.000 0.281 37 L C 0.163 177.037 176.870 0.007 0.000 1.024 37 L CA -0.217 54.630 54.840 0.011 0.000 0.810 37 L CB 1.548 43.613 42.059 0.010 0.000 1.240 37 L HN 0.560 nan 8.230 nan 0.000 0.427 38 R N 3.020 123.524 120.500 0.006 0.000 2.468 38 R HA 0.540 4.880 4.340 -0.000 0.000 0.302 38 R C -1.533 174.767 176.300 0.001 0.000 1.041 38 R CA -0.694 55.408 56.100 0.003 0.000 0.899 38 R CB 1.835 32.139 30.300 0.005 0.000 1.167 38 R HN 0.252 nan 8.270 nan 0.000 0.483 39 V N 2.805 122.717 119.914 -0.003 0.000 2.350 39 V HA 0.487 4.607 4.120 -0.000 0.000 0.276 39 V C 0.618 176.709 176.094 -0.005 0.000 1.028 39 V CA -0.699 61.599 62.300 -0.003 0.000 0.860 39 V CB 1.105 32.925 31.823 -0.005 0.000 0.990 39 V HN 0.820 nan 8.190 nan 0.000 0.453 40 R N 2.819 123.317 120.500 -0.003 0.000 2.254 40 R HA 0.609 4.949 4.340 -0.000 0.000 0.318 40 R C -0.400 175.897 176.300 -0.004 0.000 1.031 40 R CA -0.322 55.776 56.100 -0.004 0.000 0.905 40 R CB 0.542 30.840 30.300 -0.002 0.000 1.050 40 R HN 0.867 nan 8.270 nan 0.000 0.456 41 C N 1.406 120.703 119.300 -0.005 0.000 2.391 41 C HA 0.421 4.881 4.460 -0.000 0.000 0.339 41 C C 2.273 177.260 174.990 -0.005 0.000 1.205 41 C CA 0.052 59.066 59.018 -0.006 0.000 1.937 41 C CB 1.881 29.616 27.740 -0.007 0.000 2.341 41 C HN 1.053 nan 8.230 nan 0.000 0.516 42 S N 0.856 116.554 115.700 -0.004 0.000 2.465 42 S HA -0.200 4.270 4.470 -0.000 0.000 0.241 42 S C 0.963 175.561 174.600 -0.004 0.000 1.000 42 S CA 1.968 60.166 58.200 -0.004 0.000 0.964 42 S CB -0.445 62.753 63.200 -0.003 0.000 0.763 42 S HN 0.909 nan 8.310 nan 0.000 0.512 43 D N -0.106 120.291 120.400 -0.005 0.000 2.325 43 D HA 0.269 4.909 4.640 -0.000 0.000 0.225 43 D C 1.421 177.718 176.300 -0.005 0.000 1.096 43 D CA 0.501 54.498 54.000 -0.005 0.000 0.844 43 D CB -0.492 40.304 40.800 -0.006 0.000 0.925 43 D HN 0.551 nan 8.370 nan 0.000 0.513 44 G N -0.331 108.466 108.800 -0.005 0.000 2.284 44 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.247 44 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.247 44 G C 0.299 175.196 174.900 -0.006 0.000 1.012 44 G CA 0.244 45.341 45.100 -0.005 0.000 0.618 44 G HN 0.397 nan 8.290 nan 0.000 0.521 45 V N 1.654 121.564 119.914 -0.007 0.000 2.715 45 V HA 0.510 4.630 4.120 -0.000 0.000 0.299 45 V C 0.437 176.526 176.094 -0.010 0.000 1.054 45 V CA 0.710 63.005 62.300 -0.009 0.000 1.077 45 V CB 1.521 33.337 31.823 -0.012 0.000 0.972 45 V HN 0.682 nan 8.190 nan 0.000 0.484 46 E N 3.129 123.322 120.200 -0.011 0.000 2.248 46 E HA 0.683 5.033 4.350 -0.000 0.000 0.267 46 E C -0.338 176.254 176.600 -0.014 0.000 0.877 46 E CA -0.671 55.723 56.400 -0.010 0.000 0.759 46 E CB 1.972 31.668 29.700 -0.006 0.000 1.182 46 E HN 0.747 nan 8.360 nan 0.000 0.418 47 G N 3.576 112.366 108.800 -0.016 0.000 2.400 47 G HA2 0.600 4.560 3.960 -0.000 0.000 0.333 47 G HA3 0.600 4.560 3.960 -0.000 0.000 0.333 47 G C -0.387 174.502 174.900 -0.018 0.000 1.143 47 G CA -1.013 44.074 45.100 -0.023 0.000 0.914 47 G HN 0.686 nan 8.290 nan 0.000 0.480 48 I N -0.326 120.232 120.570 -0.021 0.000 2.646 48 I HA 0.963 5.133 4.170 -0.000 0.000 0.299 48 I C 0.240 176.345 176.117 -0.020 0.000 1.036 48 I CA -1.033 60.259 61.300 -0.014 0.000 1.074 48 I CB 2.414 40.410 38.000 -0.007 0.000 1.258 48 I HN 0.668 nan 8.210 nan 0.000 0.430 49 G N 3.322 112.114 108.800 -0.012 0.000 2.921 49 G HA2 0.664 4.624 3.960 -0.000 0.000 0.291 49 G HA3 0.664 4.624 3.960 -0.000 0.000 0.291 49 G C -1.919 172.978 174.900 -0.005 0.000 1.370 49 G CA -0.611 44.479 45.100 -0.016 0.000 0.847 49 G HN 0.925 nan 8.290 nan 0.000 0.532 50 E N -1.378 118.819 120.200 -0.006 0.000 2.347 50 E HA 0.552 4.902 4.350 -0.000 0.000 0.285 50 E C -1.355 175.256 176.600 0.018 0.000 0.925 50 E CA -0.955 55.449 56.400 0.007 0.000 0.779 50 E CB 1.788 31.489 29.700 0.002 0.000 1.233 50 E HN 0.859 nan 8.360 nan 0.000 0.414 51 A N 3.628 126.477 122.820 0.048 0.000 2.399 51 A HA 0.562 4.882 4.320 -0.000 0.000 0.327 51 A C -0.736 176.927 177.584 0.132 0.000 1.367 51 A CA -0.389 51.711 52.037 0.105 0.000 0.842 51 A CB 1.273 20.340 19.000 0.113 0.000 1.142 51 A HN 0.449 nan 8.150 nan 0.000 0.495 52 T N 1.373 116.026 114.554 0.165 0.000 2.863 52 T HA 0.693 5.043 4.350 -0.000 0.000 0.285 52 T C -0.002 174.836 174.700 0.231 0.000 1.009 52 T CA -0.225 61.952 62.100 0.129 0.000 0.989 52 T CB 1.712 70.611 68.868 0.051 0.000 1.004 52 T HN 0.671 nan 8.240 nan 0.000 0.455 53 T N 1.548 116.146 114.554 0.073 0.000 2.773 53 T HA 0.780 5.130 4.350 -0.000 0.000 0.278 53 T C -1.381 173.273 174.700 -0.076 0.000 1.011 53 T CA -0.701 61.406 62.100 0.011 0.000 1.014 53 T CB 0.752 69.434 68.868 -0.309 0.000 1.293 53 T HN 0.457 nan 8.240 nan 0.000 0.554 54 I N 1.615 122.097 120.570 -0.147 0.000 2.410 54 I HA 0.528 4.698 4.170 -0.000 0.000 0.286 54 I C 0.879 176.904 176.117 -0.153 0.000 1.009 54 I CA -0.432 60.707 61.300 -0.268 0.000 1.111 54 I CB 1.587 39.173 38.000 -0.691 0.000 1.262 54 I HN 0.976 nan 8.210 nan 0.000 0.443 55 G N 4.136 112.888 108.800 -0.080 0.000 2.212 55 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.255 55 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.255 55 G C 0.815 175.721 174.900 0.010 0.000 1.062 55 G CA 0.311 45.412 45.100 0.003 0.000 0.815 55 G HN 1.432 nan 8.290 nan 0.000 0.497 56 G N -0.980 107.801 108.800 -0.033 0.000 3.181 56 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.322 56 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.322 56 G C 0.777 175.637 174.900 -0.066 0.000 1.246 56 G CA 0.949 46.022 45.100 -0.044 0.000 0.989 56 G HN 1.301 nan 8.290 nan 0.000 0.607 57 L N 1.945 123.150 121.223 -0.029 0.000 2.858 57 L HA 0.663 5.003 4.340 -0.000 0.000 0.251 57 L C 2.804 179.673 176.870 -0.002 0.000 1.149 57 L CA 1.292 56.110 54.840 -0.037 0.000 0.955 57 L CB -0.007 42.040 42.059 -0.020 0.000 1.289 57 L HN 0.847 nan 8.230 nan 0.000 0.542 58 A N -1.612 121.240 122.820 0.053 0.000 2.119 58 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 58 A C 1.374 178.980 177.584 0.036 0.000 1.153 58 A CA 1.293 53.371 52.037 0.068 0.000 0.692 58 A CB -0.376 18.713 19.000 0.148 0.000 0.799 58 A HN 0.394 nan 8.150 nan 0.000 0.458 59 Y N -1.392 118.873 120.300 -0.059 0.000 2.588 59 Y HA 0.443 4.992 4.550 -0.000 0.000 0.247 59 Y C 0.952 176.822 175.900 -0.050 0.000 1.157 59 Y CA 0.064 58.143 58.100 -0.035 0.000 1.215 59 Y CB 0.964 39.420 38.460 -0.007 0.000 1.245 59 Y HN 0.335 nan 8.280 nan 0.000 0.534 60 G N -1.413 107.379 108.800 -0.014 0.000 2.411 60 G HA2 0.133 4.093 3.960 -0.000 0.000 0.295 60 G HA3 0.133 4.093 3.960 -0.000 0.000 0.295 60 G C -0.616 174.158 174.900 -0.209 0.000 1.542 60 G CA -0.727 44.286 45.100 -0.145 0.000 0.814 60 G HN 0.080 nan 8.290 nan 0.000 0.557 61 Y N -0.849 119.400 120.300 -0.084 0.000 2.632 61 Y HA 0.448 4.998 4.550 -0.000 0.000 0.301 61 Y C 0.631 176.460 175.900 -0.120 0.000 1.172 61 Y CA 0.070 58.124 58.100 -0.077 0.000 1.328 61 Y CB 0.246 38.686 38.460 -0.034 0.000 1.016 61 Y HN 0.355 nan 8.280 nan 0.000 0.529 62 E N 1.779 121.606 120.200 -0.622 0.000 2.092 62 E HA 0.296 4.645 4.350 -0.000 0.000 0.271 62 E C -0.439 175.887 176.600 -0.457 0.000 0.919 62 E CA -0.555 55.532 56.400 -0.520 0.000 0.760 62 E CB 1.103 30.368 29.700 -0.726 0.000 1.106 62 E HN 0.420 nan 8.360 nan 0.000 0.408 63 S N 2.334 117.896 115.700 -0.230 0.000 2.713 63 S HA 0.400 4.870 4.470 -0.000 0.000 0.283 63 S C -1.996 172.529 174.600 -0.125 0.000 1.161 63 S CA -1.395 56.704 58.200 -0.167 0.000 0.999 63 S CB 1.630 64.778 63.200 -0.087 0.000 1.039 63 S HN 0.143 nan 8.310 nan 0.000 0.548 64 P HA -0.039 nan 4.420 nan 0.000 0.217 64 P C 0.922 178.208 177.300 -0.024 0.000 1.150 64 P CA 1.218 64.290 63.100 -0.046 0.000 0.832 64 P CB -0.006 31.676 31.700 -0.031 0.000 0.787 65 E N -0.518 119.669 120.200 -0.022 0.000 2.047 65 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 65 E C 2.337 178.938 176.600 0.000 0.000 0.987 65 E CA 1.609 58.005 56.400 -0.006 0.000 0.799 65 E CB -1.428 28.269 29.700 -0.005 0.000 0.752 65 E HN 0.206 nan 8.360 nan 0.000 0.449 66 G N 0.442 109.236 108.800 -0.009 0.000 2.422 66 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 66 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 66 G C 1.614 176.524 174.900 0.018 0.000 1.140 66 G CA 0.591 45.696 45.100 0.009 0.000 0.775 66 G HN 0.139 nan 8.290 nan 0.000 0.545 67 I N 0.509 121.076 120.570 -0.004 0.000 2.142 67 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 67 I C 2.682 178.819 176.117 0.034 0.000 1.078 67 I CA 1.697 63.007 61.300 0.016 0.000 1.343 67 I CB -0.135 37.867 38.000 0.004 0.000 1.046 67 I HN 0.181 nan 8.210 nan 0.000 0.405 68 K N 1.475 121.889 120.400 0.024 0.000 2.057 68 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 68 K C 2.159 178.777 176.600 0.031 0.000 1.049 68 K CA 1.465 57.767 56.287 0.026 0.000 0.931 68 K CB -0.167 32.344 32.500 0.018 0.000 0.714 68 K HN 0.262 nan 8.250 nan 0.000 0.440 69 A N 1.626 124.467 122.820 0.035 0.000 1.883 69 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 69 A C 1.925 179.554 177.584 0.075 0.000 1.186 69 A CA 1.877 53.941 52.037 0.044 0.000 0.624 69 A CB -0.711 18.317 19.000 0.047 0.000 0.822 69 A HN 0.447 nan 8.150 nan 0.000 0.444 70 N N -0.375 118.390 118.700 0.107 0.000 2.300 70 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 70 N C 1.719 177.315 175.510 0.142 0.000 1.016 70 N CA 1.056 54.216 53.050 0.183 0.000 0.876 70 N CB -0.210 38.368 38.487 0.151 0.000 0.979 70 N HN 0.549 nan 8.380 nan 0.000 0.432 71 I N 1.283 121.903 120.570 0.084 0.000 2.163 71 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 71 I C 1.651 177.790 176.117 0.036 0.000 1.081 71 I CA 1.120 62.457 61.300 0.061 0.000 1.353 71 I CB -0.190 37.837 38.000 0.045 0.000 1.054 71 I HN -0.040 nan 8.210 nan 0.000 0.407 72 D N 1.204 121.615 120.400 0.018 0.000 2.078 72 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 72 D C 2.194 178.460 176.300 -0.057 0.000 0.990 72 D CA 1.819 55.812 54.000 -0.011 0.000 0.827 72 D CB -0.235 40.559 40.800 -0.010 0.000 0.975 72 D HN 0.334 nan 8.370 nan 0.000 0.451 73 A N -0.202 122.560 122.820 -0.096 0.000 1.968 73 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 73 A C 1.663 178.915 177.584 -0.553 0.000 1.169 73 A CA 1.276 53.125 52.037 -0.314 0.000 0.638 73 A CB -0.207 18.578 19.000 -0.358 0.000 0.812 73 A HN 0.323 nan 8.150 nan 0.000 0.446 74 H N -1.765 117.314 119.070 0.016 0.000 2.067 74 H HA 0.235 4.791 4.556 -0.000 0.000 0.220 74 H C 2.021 177.359 175.328 0.017 0.000 0.883 74 H CA 0.542 56.600 56.048 0.016 0.000 1.042 74 H CB -0.275 29.498 29.762 0.020 0.000 1.305 74 H HN 0.299 nan 8.280 nan 0.000 0.430 75 L N 1.066 122.380 121.223 0.151 0.000 1.976 75 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 75 L C 2.928 179.829 176.870 0.053 0.000 1.071 75 L CA 1.387 56.281 54.840 0.089 0.000 0.746 75 L CB -0.704 41.402 42.059 0.078 0.000 0.890 75 L HN 0.182 nan 8.230 nan 0.000 0.432 76 A N 0.531 123.373 122.820 0.038 0.000 1.865 76 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 76 A C 0.110 177.701 177.584 0.012 0.000 1.191 76 A CA 1.906 53.955 52.037 0.019 0.000 0.623 76 A CB -1.955 17.052 19.000 0.011 0.000 0.826 76 A HN 0.294 nan 8.150 nan 0.000 0.444 77 P HA -0.161 nan 4.420 nan 0.000 0.217 77 P C 1.465 178.770 177.300 0.009 0.000 1.148 77 P CA 1.945 65.044 63.100 -0.002 0.000 0.828 77 P CB -0.147 31.541 31.700 -0.021 0.000 0.783 78 A N -1.438 121.396 122.820 0.022 0.000 2.168 78 A HA -0.040 4.279 4.320 -0.000 0.000 0.215 78 A C 2.019 179.614 177.584 0.018 0.000 1.152 78 A CA 1.012 53.064 52.037 0.025 0.000 0.716 78 A CB -1.164 17.859 19.000 0.038 0.000 0.794 78 A HN 0.167 nan 8.150 nan 0.000 0.465 79 L N -0.274 120.958 121.223 0.015 0.000 2.470 79 L HA 0.168 4.507 4.340 -0.000 0.000 0.219 79 L C -0.011 176.863 176.870 0.006 0.000 1.071 79 L CA -0.378 54.468 54.840 0.011 0.000 0.850 79 L CB -0.210 41.856 42.059 0.011 0.000 1.040 79 L HN 0.155 nan 8.230 nan 0.000 0.475 80 I N 1.620 122.193 120.570 0.005 0.000 2.826 80 I HA 0.006 4.176 4.170 -0.000 0.000 0.295 80 I C 1.517 177.635 176.117 0.002 0.000 1.213 80 I CA 1.358 62.659 61.300 0.002 0.000 1.436 80 I CB -0.523 37.477 38.000 0.000 0.000 1.348 80 I HN 0.437 nan 8.210 nan 0.000 0.570 81 G N 5.371 114.171 108.800 0.001 0.000 2.234 81 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.235 81 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.235 81 G C 0.342 175.242 174.900 0.001 0.000 0.997 81 G CA -0.343 44.758 45.100 0.001 0.000 0.623 81 G HN 0.462 nan 8.290 nan 0.000 0.514 82 L N 1.349 122.573 121.223 0.002 0.000 2.453 82 L HA 0.595 4.935 4.340 -0.000 0.000 0.261 82 L C 1.369 178.239 176.870 -0.000 0.000 1.179 82 L CA -0.106 54.735 54.840 0.002 0.000 0.813 82 L CB 1.031 43.092 42.059 0.003 0.000 1.110 82 L HN 0.389 nan 8.230 nan 0.000 0.466 83 A N 1.797 124.616 122.820 -0.001 0.000 2.491 83 A HA 0.331 4.651 4.320 -0.000 0.000 0.261 83 A C 1.062 178.645 177.584 -0.003 0.000 1.101 83 A CA 0.362 52.398 52.037 -0.002 0.000 0.772 83 A CB 0.492 19.490 19.000 -0.002 0.000 1.043 83 A HN 0.945 nan 8.150 nan 0.000 0.501 84 A N 2.425 125.242 122.820 -0.005 0.000 2.070 84 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 84 A C 1.536 179.115 177.584 -0.009 0.000 1.159 84 A CA 1.582 53.615 52.037 -0.007 0.000 0.656 84 A CB -0.342 18.653 19.000 -0.008 0.000 0.800 84 A HN 0.864 nan 8.150 nan 0.000 0.453 85 D N -0.683 119.712 120.400 -0.008 0.000 2.317 85 D HA -0.089 4.550 4.640 -0.000 0.000 0.211 85 D C 0.418 176.713 176.300 -0.007 0.000 0.966 85 D CA 0.280 54.275 54.000 -0.009 0.000 0.876 85 D CB -0.406 40.390 40.800 -0.008 0.000 0.927 85 D HN 0.299 nan 8.370 nan 0.000 0.519 86 N N 1.236 119.933 118.700 -0.005 0.000 3.229 86 N HA 0.119 4.859 4.740 -0.000 0.000 0.275 86 N C 1.179 176.687 175.510 -0.004 0.000 1.225 86 N CA -0.235 52.812 53.050 -0.004 0.000 1.119 86 N CB 0.129 38.614 38.487 -0.002 0.000 1.392 86 N HN 0.165 nan 8.380 nan 0.000 0.520 87 I N 0.479 121.045 120.570 -0.006 0.000 2.226 87 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 87 I C 2.097 178.211 176.117 -0.004 0.000 1.100 87 I CA 0.735 62.031 61.300 -0.007 0.000 1.374 87 I CB -0.199 37.794 38.000 -0.012 0.000 1.057 87 I HN 0.369 nan 8.210 nan 0.000 0.413 88 N N 1.643 120.342 118.700 -0.003 0.000 2.025 88 N HA -0.198 4.542 4.740 -0.000 0.000 0.194 88 N C 1.891 177.401 175.510 0.001 0.000 1.044 88 N CA 2.254 55.304 53.050 -0.001 0.000 0.851 88 N CB -0.274 38.212 38.487 -0.000 0.000 1.036 88 N HN 0.309 nan 8.380 nan 0.000 0.422 89 A N 0.318 123.138 122.820 0.001 0.000 1.917 89 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 89 A C 2.397 179.984 177.584 0.003 0.000 1.182 89 A CA 2.469 54.507 52.037 0.002 0.000 0.633 89 A CB -1.431 17.570 19.000 0.001 0.000 0.819 89 A HN 0.522 nan 8.150 nan 0.000 0.448 90 A N -0.964 121.858 122.820 0.003 0.000 1.858 90 A HA -0.134 4.185 4.320 -0.000 0.000 0.216 90 A C 2.159 179.748 177.584 0.008 0.000 1.190 90 A CA 2.164 54.204 52.037 0.005 0.000 0.617 90 A CB -0.496 18.506 19.000 0.003 0.000 0.827 90 A HN 0.434 nan 8.150 nan 0.000 0.443 91 M N -0.462 119.141 119.600 0.006 0.000 2.229 91 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 91 M C 2.102 178.407 176.300 0.009 0.000 1.063 91 M CA 1.010 56.314 55.300 0.008 0.000 1.114 91 M CB -1.427 31.176 32.600 0.004 0.000 1.387 91 M HN 0.372 nan 8.290 nan 0.000 0.420 92 L N -0.464 120.763 121.223 0.007 0.000 2.093 92 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 92 L C 2.652 179.527 176.870 0.008 0.000 1.085 92 L CA 1.067 55.911 54.840 0.006 0.000 0.755 92 L CB -0.495 41.566 42.059 0.003 0.000 0.904 92 L HN 0.339 nan 8.230 nan 0.000 0.435 93 K N 0.454 120.859 120.400 0.009 0.000 2.057 93 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 93 K C 2.110 178.720 176.600 0.017 0.000 1.049 93 K CA 1.155 57.450 56.287 0.012 0.000 0.931 93 K CB -0.036 32.472 32.500 0.012 0.000 0.714 93 K HN 0.274 nan 8.250 nan 0.000 0.440 94 L N 0.968 122.203 121.223 0.020 0.000 2.127 94 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 94 L C 1.790 178.675 176.870 0.024 0.000 1.089 94 L CA 1.170 56.026 54.840 0.027 0.000 0.757 94 L CB -0.476 41.601 42.059 0.029 0.000 0.899 94 L HN 0.201 nan 8.230 nan 0.000 0.434 95 D N 0.060 120.471 120.400 0.018 0.000 2.183 95 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 95 D C 2.187 178.492 176.300 0.009 0.000 0.969 95 D CA 1.276 55.285 54.000 0.015 0.000 0.842 95 D CB 0.161 40.968 40.800 0.012 0.000 0.957 95 D HN 0.270 nan 8.370 nan 0.000 0.484 96 A N 0.214 123.039 122.820 0.008 0.000 2.016 96 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 96 A C 1.916 179.503 177.584 0.005 0.000 1.162 96 A CA 0.623 52.663 52.037 0.005 0.000 0.662 96 A CB -0.136 18.867 19.000 0.005 0.000 0.812 96 A HN 0.137 nan 8.150 nan 0.000 0.450 97 L N -1.660 119.570 121.223 0.011 0.000 2.416 97 L HA 0.357 4.697 4.340 -0.000 0.000 0.216 97 L C 0.890 177.759 176.870 -0.001 0.000 1.098 97 L CA 1.218 56.066 54.840 0.013 0.000 0.840 97 L CB -0.657 41.420 42.059 0.031 0.000 0.981 97 L HN 0.376 nan 8.230 nan 0.000 0.462 98 A N -0.279 122.543 122.820 0.003 0.000 2.427 98 A HA 0.594 4.914 4.320 -0.000 0.000 0.298 98 A C -0.583 177.002 177.584 0.002 0.000 1.036 98 A CA -0.684 51.349 52.037 -0.007 0.000 0.701 98 A CB 1.448 20.455 19.000 0.012 0.000 1.250 98 A HN -0.153 nan 8.150 nan 0.000 0.412 99 K N 1.251 121.643 120.400 -0.013 0.000 2.205 99 K HA 0.625 4.945 4.320 -0.000 0.000 0.279 99 K C 1.181 177.789 176.600 0.015 0.000 1.027 99 K CA 0.926 57.205 56.287 -0.013 0.000 0.932 99 K CB 0.866 33.339 32.500 -0.044 0.000 1.032 99 K HN 1.746 nan 8.250 nan 0.000 0.466 100 G N 3.229 112.055 108.800 0.042 0.000 2.583 100 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.292 100 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.292 100 G C -0.232 174.800 174.900 0.219 0.000 1.203 100 G CA 0.290 45.475 45.100 0.142 0.000 0.987 100 G HN 0.786 nan 8.290 nan 0.000 0.554 101 N N -0.017 118.916 118.700 0.389 0.000 2.740 101 N HA -0.245 4.495 4.740 -0.000 0.000 0.248 101 N C 1.519 177.152 175.510 0.205 0.000 1.062 101 N CA 1.968 55.188 53.050 0.282 0.000 0.704 101 N CB -1.385 37.208 38.487 0.175 0.000 0.968 101 N HN 1.497 nan 8.380 nan 0.000 0.547 102 T N -3.549 111.141 114.554 0.227 0.000 2.867 102 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 102 T C 1.589 176.315 174.700 0.044 0.000 1.057 102 T CA 0.850 63.012 62.100 0.104 0.000 1.136 102 T CB -0.280 68.621 68.868 0.056 0.000 0.874 102 T HN 0.217 nan 8.240 nan 0.000 0.466 103 F N 2.515 122.435 119.950 -0.050 0.000 2.051 103 F HA 0.160 4.687 4.527 -0.000 0.000 0.296 103 F C 3.053 178.834 175.800 -0.031 0.000 1.122 103 F CA 1.034 58.998 58.000 -0.061 0.000 1.201 103 F CB -1.117 37.818 39.000 -0.108 0.000 0.978 103 F HN 0.244 nan 8.300 nan 0.000 0.472 104 A N -0.119 122.819 122.820 0.196 0.000 1.908 104 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 104 A C 2.205 179.833 177.584 0.073 0.000 1.181 104 A CA 1.927 54.031 52.037 0.112 0.000 0.627 104 A CB -0.711 18.350 19.000 0.101 0.000 0.818 104 A HN 0.362 nan 8.150 nan 0.000 0.445 105 K N -0.544 119.898 120.400 0.069 0.000 2.057 105 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 105 K C 2.463 179.069 176.600 0.010 0.000 1.049 105 K CA 1.343 57.653 56.287 0.039 0.000 0.931 105 K CB -0.224 32.300 32.500 0.040 0.000 0.714 105 K HN 0.470 nan 8.250 nan 0.000 0.440 106 S N 0.285 115.978 115.700 -0.011 0.000 2.368 106 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 106 S C 2.096 176.676 174.600 -0.033 0.000 1.030 106 S CA 1.551 59.722 58.200 -0.049 0.000 0.999 106 S CB -0.476 62.653 63.200 -0.118 0.000 0.844 106 S HN 0.470 nan 8.310 nan 0.000 0.459 107 G N 1.202 109.999 108.800 -0.005 0.000 2.418 107 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 107 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 107 G C 1.424 176.322 174.900 -0.003 0.000 1.158 107 G CA 0.914 46.015 45.100 0.001 0.000 0.771 107 G HN 0.572 nan 8.290 nan 0.000 0.545 108 I N 0.143 120.716 120.570 0.005 0.000 2.252 108 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 108 I C 2.650 178.761 176.117 -0.009 0.000 1.102 108 I CA 1.237 62.539 61.300 0.003 0.000 1.385 108 I CB -0.135 37.873 38.000 0.013 0.000 1.064 108 I HN 0.245 nan 8.210 nan 0.000 0.414 109 E N 0.511 120.703 120.200 -0.014 0.000 2.150 109 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 109 E C 2.238 178.817 176.600 -0.036 0.000 0.985 109 E CA 1.233 57.620 56.400 -0.022 0.000 0.814 109 E CB 0.163 29.849 29.700 -0.023 0.000 0.752 109 E HN 0.359 nan 8.360 nan 0.000 0.466 110 S N 0.288 115.963 115.700 -0.041 0.000 2.356 110 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 110 S C 2.008 176.578 174.600 -0.051 0.000 1.032 110 S CA 1.033 59.199 58.200 -0.055 0.000 1.005 110 S CB -0.199 62.968 63.200 -0.055 0.000 0.867 110 S HN 0.464 nan 8.310 nan 0.000 0.449 111 A N 1.337 124.136 122.820 -0.035 0.000 1.902 111 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 111 A C 2.123 179.688 177.584 -0.032 0.000 1.181 111 A CA 1.100 53.119 52.037 -0.030 0.000 0.623 111 A CB -0.741 18.249 19.000 -0.016 0.000 0.818 111 A HN 0.444 nan 8.150 nan 0.000 0.443 112 L N -0.765 120.441 121.223 -0.028 0.000 2.046 112 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 112 L C 2.544 179.392 176.870 -0.038 0.000 1.077 112 L CA 1.086 55.910 54.840 -0.027 0.000 0.747 112 L CB -0.457 41.590 42.059 -0.020 0.000 0.896 112 L HN 0.387 nan 8.230 nan 0.000 0.432 113 L N -0.541 120.652 121.223 -0.049 0.000 2.141 113 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 113 L C 2.224 179.043 176.870 -0.085 0.000 1.094 113 L CA 1.097 55.898 54.840 -0.066 0.000 0.763 113 L CB -0.434 41.578 42.059 -0.079 0.000 0.908 113 L HN 0.299 nan 8.230 nan 0.000 0.437 114 D N 0.130 120.480 120.400 -0.084 0.000 2.084 114 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 114 D C 2.185 178.446 176.300 -0.065 0.000 0.985 114 D CA 1.462 55.407 54.000 -0.091 0.000 0.826 114 D CB 0.111 40.866 40.800 -0.075 0.000 0.978 114 D HN 0.188 nan 8.370 nan 0.000 0.456 115 A N -0.007 122.784 122.820 -0.047 0.000 1.908 115 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 115 A C 2.219 179.783 177.584 -0.034 0.000 1.181 115 A CA 2.158 54.174 52.037 -0.034 0.000 0.627 115 A CB -0.968 18.017 19.000 -0.025 0.000 0.818 115 A HN 0.383 nan 8.150 nan 0.000 0.445 116 Q N -0.308 119.469 119.800 -0.038 0.000 2.230 116 Q HA 0.030 4.369 4.340 -0.000 0.000 0.202 116 Q C 1.794 177.771 176.000 -0.038 0.000 0.963 116 Q CA 1.721 57.504 55.803 -0.033 0.000 0.866 116 Q CB -0.670 28.049 28.738 -0.032 0.000 0.931 116 Q HN 0.500 nan 8.270 nan 0.000 0.452 117 G N 0.415 109.183 108.800 -0.054 0.000 2.403 117 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 117 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 117 G C 1.176 176.050 174.900 -0.043 0.000 1.154 117 G CA 0.524 45.589 45.100 -0.060 0.000 0.784 117 G HN 0.314 nan 8.290 nan 0.000 0.538 118 K N 0.422 120.798 120.400 -0.040 0.000 2.062 118 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 118 K C 2.451 179.039 176.600 -0.021 0.000 1.051 118 K CA 0.866 57.136 56.287 -0.028 0.000 0.941 118 K CB -0.204 32.281 32.500 -0.026 0.000 0.719 118 K HN 0.273 nan 8.250 nan 0.000 0.440 119 R N 1.598 122.085 120.500 -0.021 0.000 2.105 119 R HA -0.085 4.255 4.340 -0.000 0.000 0.239 119 R C 1.765 178.057 176.300 -0.014 0.000 1.135 119 R CA 1.176 57.266 56.100 -0.016 0.000 0.967 119 R CB -0.095 30.196 30.300 -0.016 0.000 0.861 119 R HN 0.153 nan 8.270 nan 0.000 0.442 120 L N -0.373 120.840 121.223 -0.016 0.000 2.640 120 L HA 0.310 4.650 4.340 -0.000 0.000 0.230 120 L C 0.943 177.806 176.870 -0.011 0.000 1.123 120 L CA 0.286 55.119 54.840 -0.012 0.000 0.900 120 L CB 0.606 42.657 42.059 -0.013 0.000 1.146 120 L HN 0.563 nan 8.230 nan 0.000 0.484 121 G N 1.430 110.222 108.800 -0.013 0.000 2.225 121 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 121 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 121 G C -0.019 174.877 174.900 -0.008 0.000 1.024 121 G CA 0.236 45.330 45.100 -0.010 0.000 0.784 121 G HN 0.273 nan 8.290 nan 0.000 0.507 122 L N 0.259 121.475 121.223 -0.013 0.000 2.346 122 L HA 0.540 4.880 4.340 -0.000 0.000 0.274 122 L C -1.984 174.876 176.870 -0.016 0.000 1.007 122 L CA -2.680 52.156 54.840 -0.007 0.000 0.818 122 L CB 2.220 44.275 42.059 -0.006 0.000 1.284 122 L HN -0.138 nan 8.230 nan 0.000 0.424 123 P HA 0.053 nan 4.420 nan 0.000 0.272 123 P C 0.933 178.204 177.300 -0.049 0.000 1.223 123 P CA -0.333 62.775 63.100 0.013 0.000 0.784 123 P CB 1.189 32.989 31.700 0.167 0.000 0.923 124 V N 1.914 121.649 119.914 -0.297 0.000 2.453 124 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 124 V C 2.490 178.584 176.094 -0.001 0.000 1.068 124 V CA 2.831 64.982 62.300 -0.248 0.000 1.070 124 V CB -1.678 29.860 31.823 -0.474 0.000 0.664 124 V HN 0.689 nan 8.190 nan 0.000 0.461 125 S N -0.061 115.823 115.700 0.308 0.000 2.400 125 S HA -0.209 4.261 4.470 -0.000 0.000 0.232 125 S C 1.735 176.393 174.600 0.097 0.000 1.025 125 S CA 1.322 59.657 58.200 0.224 0.000 0.993 125 S CB -0.332 62.988 63.200 0.200 0.000 0.808 125 S HN 0.644 nan 8.310 nan 0.000 0.478 126 E N 1.891 122.139 120.200 0.080 0.000 2.076 126 E HA 0.153 4.503 4.350 -0.000 0.000 0.190 126 E C 2.194 178.807 176.600 0.021 0.000 0.979 126 E CA 0.493 56.917 56.400 0.041 0.000 0.807 126 E CB -0.710 29.010 29.700 0.034 0.000 0.761 126 E HN 0.496 nan 8.360 nan 0.000 0.454 127 L N 0.491 121.717 121.223 0.006 0.000 2.079 127 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 127 L C 2.200 179.071 176.870 0.001 0.000 1.081 127 L CA 0.922 55.758 54.840 -0.007 0.000 0.752 127 L CB -0.430 41.611 42.059 -0.029 0.000 0.896 127 L HN 0.084 nan 8.230 nan 0.000 0.433 128 L N -0.735 120.494 121.223 0.009 0.000 2.627 128 L HA 0.069 4.409 4.340 -0.000 0.000 0.233 128 L C 1.454 178.338 176.870 0.023 0.000 1.144 128 L CA 0.638 55.487 54.840 0.015 0.000 0.892 128 L CB -0.275 41.797 42.059 0.020 0.000 1.039 128 L HN 0.524 nan 8.230 nan 0.000 0.442 129 G N -0.810 108.003 108.800 0.022 0.000 2.796 129 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.198 129 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.198 129 G C 0.464 175.378 174.900 0.023 0.000 1.062 129 G CA -0.313 44.800 45.100 0.022 0.000 0.752 129 G HN 0.688 nan 8.290 nan 0.000 0.487 130 G N 0.186 109.004 108.800 0.029 0.000 2.760 130 G HA2 0.525 4.485 3.960 -0.000 0.000 0.540 130 G HA3 0.525 4.485 3.960 -0.000 0.000 0.540 130 G C -0.308 174.609 174.900 0.028 0.000 1.476 130 G CA 0.359 45.476 45.100 0.028 0.000 0.949 130 G HN 1.328 nan 8.290 nan 0.000 0.633 131 R N 1.001 121.516 120.500 0.026 0.000 2.594 131 R HA 0.513 4.852 4.340 -0.000 0.000 0.272 131 R C 0.853 177.161 176.300 0.013 0.000 1.074 131 R CA 0.198 56.308 56.100 0.016 0.000 1.105 131 R CB 1.286 31.585 30.300 -0.001 0.000 1.008 131 R HN 1.205 nan 8.270 nan 0.000 0.472 132 V N -1.063 118.859 119.914 0.013 0.000 3.528 132 V HA 0.270 4.389 4.120 -0.000 0.000 0.294 132 V C 0.361 176.458 176.094 0.005 0.000 1.404 132 V CA -0.066 62.240 62.300 0.010 0.000 1.065 132 V CB -1.161 30.669 31.823 0.012 0.000 0.904 132 V HN 0.924 nan 8.190 nan 0.000 0.435 133 R N -1.710 118.791 120.500 0.001 0.000 2.716 133 R HA 0.514 4.854 4.340 -0.000 0.000 0.271 133 R C -1.075 175.216 176.300 -0.014 0.000 1.028 133 R CA -0.578 55.520 56.100 -0.003 0.000 0.883 133 R CB 1.194 31.492 30.300 -0.003 0.000 1.250 133 R HN -0.061 nan 8.270 nan 0.000 0.465 134 D N 0.150 120.544 120.400 -0.010 0.000 2.433 134 D HA 0.134 4.773 4.640 -0.000 0.000 0.211 134 D C -0.382 175.898 176.300 -0.033 0.000 1.114 134 D CA 0.628 54.617 54.000 -0.017 0.000 0.837 134 D CB 0.931 41.738 40.800 0.012 0.000 0.984 134 D HN 0.576 nan 8.370 nan 0.000 0.505 135 S N -0.541 115.127 115.700 -0.054 0.000 2.638 135 S HA 0.741 5.211 4.470 -0.000 0.000 0.274 135 S C -0.943 173.597 174.600 -0.101 0.000 1.157 135 S CA -0.863 57.251 58.200 -0.143 0.000 0.826 135 S CB 2.135 65.165 63.200 -0.283 0.000 1.139 135 S HN -0.020 nan 8.310 nan 0.000 0.474 136 L N 0.805 121.961 121.223 -0.111 0.000 2.401 136 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 136 L C -0.459 176.410 176.870 -0.001 0.000 0.991 136 L CA -0.813 54.012 54.840 -0.026 0.000 0.818 136 L CB 1.920 43.999 42.059 0.033 0.000 1.321 136 L HN 0.824 nan 8.230 nan 0.000 0.413 137 E N 1.420 121.639 120.200 0.033 0.000 2.384 137 E HA 0.312 4.662 4.350 -0.000 0.000 0.266 137 E C -1.296 175.387 176.600 0.137 0.000 1.012 137 E CA -0.012 56.440 56.400 0.087 0.000 0.901 137 E CB 1.015 30.758 29.700 0.072 0.000 0.967 137 E HN 0.298 nan 8.360 nan 0.000 0.435 138 V N 4.288 124.340 119.914 0.230 0.000 2.444 138 V HA 0.625 4.745 4.120 -0.000 0.000 0.294 138 V C 0.162 176.486 176.094 0.384 0.000 1.022 138 V CA -0.521 61.980 62.300 0.335 0.000 0.850 138 V CB 1.191 33.307 31.823 0.488 0.000 0.992 138 V HN 0.894 nan 8.190 nan 0.000 0.426 139 A N 5.153 128.152 122.820 0.298 0.000 2.287 139 A HA 0.686 5.006 4.320 -0.000 0.000 0.273 139 A C -0.670 176.948 177.584 0.056 0.000 1.091 139 A CA -0.506 51.634 52.037 0.172 0.000 0.817 139 A CB 0.872 20.026 19.000 0.255 0.000 1.069 139 A HN 0.989 nan 8.150 nan 0.000 0.492 140 W N 1.333 122.342 121.300 -0.485 0.000 2.715 140 W HA 0.374 5.034 4.660 -0.000 0.000 0.331 140 W C -1.307 174.948 176.519 -0.441 0.000 1.031 140 W CA -0.403 56.439 57.345 -0.838 0.000 1.237 140 W CB 1.807 30.669 29.460 -0.998 0.000 1.378 140 W HN 0.624 nan 8.180 nan 0.000 0.454 141 T N 6.671 120.425 114.554 -1.333 0.000 2.752 141 T HA 0.242 4.592 4.350 -0.000 0.000 0.295 141 T C 0.314 174.489 174.700 -0.875 0.000 0.923 141 T CA 0.016 61.652 62.100 -0.773 0.000 1.112 141 T CB 0.353 68.899 68.868 -0.536 0.000 0.884 141 T HN 0.219 nan 8.240 nan 0.000 0.525 142 L N 3.125 124.137 121.223 -0.351 0.000 2.315 142 L HA 0.432 4.772 4.340 -0.000 0.000 0.283 142 L C 1.100 177.876 176.870 -0.157 0.000 1.089 142 L CA -0.447 54.275 54.840 -0.197 0.000 0.833 142 L CB 0.661 42.690 42.059 -0.050 0.000 1.170 142 L HN 0.779 nan 8.230 nan 0.000 0.442 143 A N 1.257 123.978 122.820 -0.164 0.000 2.469 143 A HA 0.020 4.340 4.320 -0.000 0.000 0.245 143 A C 1.945 179.494 177.584 -0.058 0.000 1.221 143 A CA 0.473 52.442 52.037 -0.112 0.000 0.946 143 A CB 0.081 18.990 19.000 -0.151 0.000 1.049 143 A HN 0.739 nan 8.150 nan 0.000 0.529 144 S N -0.112 115.574 115.700 -0.023 0.000 2.461 144 S HA 0.053 4.523 4.470 -0.000 0.000 0.246 144 S C 1.760 176.345 174.600 -0.025 0.000 1.007 144 S CA 1.760 59.955 58.200 -0.008 0.000 0.976 144 S CB -0.830 62.379 63.200 0.016 0.000 0.763 144 S HN 2.031 nan 8.310 nan 0.000 0.508 145 G N 0.648 109.421 108.800 -0.045 0.000 2.175 145 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 145 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 145 G C -0.204 174.640 174.900 -0.094 0.000 0.979 145 G CA 0.495 45.526 45.100 -0.115 0.000 0.663 145 G HN 0.736 nan 8.290 nan 0.000 0.533 146 D N -0.206 120.195 120.400 0.001 0.000 2.471 146 D HA 0.487 5.127 4.640 -0.000 0.000 0.245 146 D C 1.618 177.989 176.300 0.117 0.000 1.116 146 D CA 0.252 54.274 54.000 0.036 0.000 0.853 146 D CB 0.897 41.708 40.800 0.017 0.000 1.123 146 D HN -0.013 nan 8.370 nan 0.000 0.540 147 T N 2.476 117.148 114.554 0.198 0.000 2.597 147 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 147 T C 1.859 176.585 174.700 0.042 0.000 1.053 147 T CA 2.035 64.238 62.100 0.173 0.000 1.165 147 T CB -0.129 68.836 68.868 0.161 0.000 0.863 147 T HN 0.584 nan 8.240 nan 0.000 0.427 148 A N 1.361 124.200 122.820 0.033 0.000 1.908 148 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 148 A C 2.319 179.904 177.584 0.003 0.000 1.181 148 A CA 2.110 54.152 52.037 0.008 0.000 0.627 148 A CB -0.683 18.322 19.000 0.009 0.000 0.818 148 A HN 0.461 nan 8.150 nan 0.000 0.445 149 R N -0.445 120.063 120.500 0.015 0.000 2.091 149 R HA -0.171 4.168 4.340 -0.000 0.000 0.238 149 R C 1.514 177.818 176.300 0.007 0.000 1.136 149 R CA 1.927 58.034 56.100 0.011 0.000 0.959 149 R CB -0.312 29.999 30.300 0.018 0.000 0.856 149 R HN 0.459 nan 8.270 nan 0.000 0.437 150 D N 0.235 120.643 120.400 0.013 0.000 2.117 150 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 150 D C 1.884 178.129 176.300 -0.091 0.000 0.982 150 D CA 1.252 55.241 54.000 -0.018 0.000 0.828 150 D CB -0.101 40.706 40.800 0.012 0.000 0.967 150 D HN 0.330 nan 8.370 nan 0.000 0.464 151 I N 0.929 121.449 120.570 -0.084 0.000 2.286 151 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 151 I C 2.388 178.456 176.117 -0.082 0.000 1.115 151 I CA 0.815 62.052 61.300 -0.106 0.000 1.392 151 I CB -0.176 37.782 38.000 -0.070 0.000 1.065 151 I HN -0.072 nan 8.210 nan 0.000 0.418 152 A N 0.401 123.196 122.820 -0.042 0.000 1.873 152 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 152 A C 2.309 179.898 177.584 0.008 0.000 1.186 152 A CA 1.747 53.776 52.037 -0.013 0.000 0.616 152 A CB -0.613 18.382 19.000 -0.009 0.000 0.823 152 A HN 0.441 nan 8.150 nan 0.000 0.442 153 E N -0.218 119.984 120.200 0.003 0.000 2.110 153 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 153 E C 2.125 178.716 176.600 -0.014 0.000 0.988 153 E CA 0.993 57.429 56.400 0.061 0.000 0.804 153 E CB -0.229 29.535 29.700 0.105 0.000 0.745 153 E HN 0.556 nan 8.360 nan 0.000 0.458 154 A N 1.474 124.148 122.820 -0.244 0.000 1.858 154 A HA -0.176 4.143 4.320 -0.000 0.000 0.216 154 A C 2.139 179.613 177.584 -0.184 0.000 1.190 154 A CA 1.321 52.969 52.037 -0.647 0.000 0.617 154 A CB -0.441 18.053 19.000 -0.842 0.000 0.827 154 A HN 0.144 nan 8.150 nan 0.000 0.443 155 R N -1.196 119.261 120.500 -0.071 0.000 2.105 155 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 155 R C 2.158 178.507 176.300 0.081 0.000 1.135 155 R CA 1.825 57.942 56.100 0.029 0.000 0.967 155 R CB -0.836 29.479 30.300 0.025 0.000 0.861 155 R HN 0.836 nan 8.270 nan 0.000 0.442 156 H N 0.737 119.807 119.070 0.000 0.000 2.326 156 H HA -0.011 4.545 4.556 -0.000 0.000 0.301 156 H C 1.961 177.308 175.328 0.031 0.000 1.081 156 H CA 1.614 57.666 56.048 0.008 0.000 1.334 156 H CB 0.000 29.755 29.762 -0.012 0.000 1.385 156 H HN -0.086 nan 8.280 nan 0.000 0.504 157 M N -0.037 119.530 119.600 -0.055 0.000 2.213 157 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 157 M C 2.394 178.756 176.300 0.104 0.000 1.062 157 M CA 1.086 56.375 55.300 -0.018 0.000 1.105 157 M CB -0.884 31.906 32.600 0.315 0.000 1.385 157 M HN 0.365 nan 8.290 nan 0.000 0.417 158 L N -0.874 120.481 121.223 0.218 0.000 2.072 158 L HA -0.172 4.167 4.340 -0.000 0.000 0.205 158 L C 2.548 179.502 176.870 0.140 0.000 1.079 158 L CA 0.969 55.973 54.840 0.273 0.000 0.752 158 L CB -0.468 41.738 42.059 0.245 0.000 0.906 158 L HN 0.328 nan 8.230 nan 0.000 0.436 159 E N 0.743 120.960 120.200 0.029 0.000 2.021 159 E HA -0.266 4.084 4.350 -0.000 0.000 0.200 159 E C 1.955 178.507 176.600 -0.081 0.000 1.015 159 E CA 2.098 58.487 56.400 -0.018 0.000 0.824 159 E CB -0.211 29.472 29.700 -0.029 0.000 0.762 159 E HN 0.613 nan 8.360 nan 0.000 0.454 160 I N -1.326 119.121 120.570 -0.204 0.000 3.605 160 I HA 0.060 4.229 4.170 -0.000 0.000 0.301 160 I C -0.105 175.861 176.117 -0.251 0.000 1.267 160 I CA 0.157 61.321 61.300 -0.227 0.000 1.236 160 I CB -0.336 37.469 38.000 -0.326 0.000 1.010 160 I HN 0.011 nan 8.210 nan 0.000 0.491 161 R N 0.945 121.315 120.500 -0.216 0.000 3.322 161 R HA -0.214 4.126 4.340 -0.000 0.000 0.253 161 R C 1.153 177.041 176.300 -0.686 0.000 0.987 161 R CA 0.759 56.560 56.100 -0.499 0.000 0.666 161 R CB -1.736 28.185 30.300 -0.632 0.000 1.072 161 R HN 0.606 nan 8.270 nan 0.000 0.447 162 R N -0.228 120.036 120.500 -0.394 0.000 2.167 162 R HA 0.114 4.454 4.340 -0.000 0.000 0.201 162 R C 0.142 176.099 176.300 -0.572 0.000 1.024 162 R CA 0.518 56.293 56.100 -0.543 0.000 1.053 162 R CB 0.545 30.462 30.300 -0.639 0.000 0.987 162 R HN 0.294 nan 8.270 nan 0.000 0.493 163 H N -0.635 118.528 119.070 0.155 0.000 2.894 163 H HA 0.260 4.816 4.556 -0.000 0.000 0.367 163 H C -0.377 174.964 175.328 0.021 0.000 1.144 163 H CA -0.589 55.514 56.048 0.091 0.000 1.180 163 H CB 1.812 31.502 29.762 -0.120 0.000 1.758 163 H HN 0.153 nan 8.280 nan 0.000 0.541 164 R N 0.363 120.774 120.500 -0.149 0.000 2.549 164 R HA 0.379 4.719 4.340 -0.000 0.000 0.361 164 R C -1.054 174.992 176.300 -0.424 0.000 0.969 164 R CA -0.104 55.810 56.100 -0.309 0.000 1.158 164 R CB 0.570 30.514 30.300 -0.593 0.000 1.456 164 R HN 0.092 nan 8.270 nan 0.000 0.540 165 V N 2.087 121.619 119.914 -0.637 0.000 2.483 165 V HA 0.524 4.644 4.120 -0.000 0.000 0.297 165 V C -1.315 174.393 176.094 -0.643 0.000 1.027 165 V CA -0.603 61.464 62.300 -0.388 0.000 0.855 165 V CB 1.380 33.156 31.823 -0.078 0.000 0.995 165 V HN 0.079 nan 8.190 nan 0.000 0.424 166 F N 3.391 123.405 119.950 0.106 0.000 2.551 166 F HA 0.715 5.242 4.527 -0.000 0.000 0.316 166 F C 0.133 175.948 175.800 0.024 0.000 1.089 166 F CA -0.936 57.103 58.000 0.066 0.000 0.915 166 F CB 2.174 41.216 39.000 0.070 0.000 1.186 166 F HN 0.428 nan 8.300 nan 0.000 0.456 167 K N 2.794 123.289 120.400 0.159 0.000 2.318 167 K HA 0.790 5.110 4.320 -0.000 0.000 0.249 167 K C -1.780 174.840 176.600 0.034 0.000 0.942 167 K CA -0.921 55.411 56.287 0.076 0.000 0.808 167 K CB 2.269 34.809 32.500 0.067 0.000 1.189 167 K HN 0.365 nan 8.250 nan 0.000 0.428 168 L N 2.532 123.770 121.223 0.026 0.000 2.305 168 L HA 0.368 4.708 4.340 -0.000 0.000 0.284 168 L C -0.184 176.685 176.870 -0.003 0.000 1.013 168 L CA -0.600 54.260 54.840 0.033 0.000 0.819 168 L CB 1.293 43.402 42.059 0.082 0.000 1.227 168 L HN 0.722 nan 8.230 nan 0.000 0.417 169 K N 5.491 125.876 120.400 -0.025 0.000 2.310 169 K HA 0.474 4.794 4.320 -0.000 0.000 0.290 169 K C -0.091 176.439 176.600 -0.115 0.000 1.077 169 K CA -0.102 56.147 56.287 -0.063 0.000 0.922 169 K CB 1.205 33.677 32.500 -0.047 0.000 1.057 169 K HN 0.607 nan 8.250 nan 0.000 0.479 170 I N -2.725 117.741 120.570 -0.174 0.000 3.445 170 I HA 0.700 4.870 4.170 -0.000 0.000 0.303 170 I C 0.735 176.618 176.117 -0.389 0.000 1.129 170 I CA -0.670 60.505 61.300 -0.210 0.000 0.989 170 I CB 2.075 40.026 38.000 -0.083 0.000 1.314 170 I HN 0.631 nan 8.210 nan 0.000 0.488 171 G N 0.482 109.103 108.800 -0.298 0.000 2.195 171 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.224 171 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.224 171 G C 0.791 175.495 174.900 -0.326 0.000 0.990 171 G CA 0.500 45.402 45.100 -0.329 0.000 0.639 171 G HN 1.304 nan 8.290 nan 0.000 0.514 172 A N -0.262 122.290 122.820 -0.447 0.000 2.132 172 A HA 0.534 4.854 4.320 -0.000 0.000 0.213 172 A C 0.941 178.452 177.584 -0.122 0.000 1.154 172 A CA 1.391 53.205 52.037 -0.371 0.000 0.753 172 A CB -0.037 18.715 19.000 -0.413 0.000 0.826 172 A HN 0.610 nan 8.150 nan 0.000 0.469 173 N N -0.536 118.124 118.700 -0.066 0.000 2.525 173 N HA 0.492 5.231 4.740 -0.000 0.000 0.288 173 N C -2.995 172.545 175.510 0.051 0.000 1.242 173 N CA -1.950 51.091 53.050 -0.014 0.000 0.905 173 N CB 0.572 39.037 38.487 -0.037 0.000 1.258 173 N HN -0.142 nan 8.380 nan 0.000 0.551 174 P HA -0.071 nan 4.420 nan 0.000 0.266 174 P C 0.698 178.040 177.300 0.069 0.000 1.193 174 P CA -0.041 63.087 63.100 0.047 0.000 0.770 174 P CB 0.564 32.275 31.700 0.020 0.000 0.836 175 V N 1.993 121.934 119.914 0.045 0.000 2.282 175 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 175 V C 2.235 178.338 176.094 0.014 0.000 1.057 175 V CA 2.073 64.379 62.300 0.009 0.000 1.032 175 V CB -0.910 30.787 31.823 -0.209 0.000 0.645 175 V HN 0.581 nan 8.190 nan 0.000 0.447 176 E N -0.301 119.894 120.200 -0.008 0.000 2.110 176 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 176 E C 2.243 178.862 176.600 0.031 0.000 0.988 176 E CA 1.398 57.798 56.400 0.000 0.000 0.804 176 E CB -0.307 29.387 29.700 -0.011 0.000 0.745 176 E HN 0.664 nan 8.360 nan 0.000 0.458 177 Q N -0.037 119.785 119.800 0.037 0.000 2.050 177 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 177 Q C 1.793 177.840 176.000 0.080 0.000 0.980 177 Q CA 1.720 57.549 55.803 0.043 0.000 0.840 177 Q CB -0.123 28.626 28.738 0.018 0.000 0.898 177 Q HN 0.357 nan 8.270 nan 0.000 0.424 178 N N -0.232 118.527 118.700 0.099 0.000 2.188 178 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 178 N C 1.888 177.513 175.510 0.192 0.000 1.018 178 N CA 0.695 53.836 53.050 0.152 0.000 0.858 178 N CB 0.045 38.645 38.487 0.189 0.000 0.989 178 N HN 0.192 nan 8.380 nan 0.000 0.426 179 L N 1.374 122.686 121.223 0.148 0.000 1.994 179 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 179 L C 2.569 179.490 176.870 0.085 0.000 1.071 179 L CA 1.373 56.279 54.840 0.109 0.000 0.745 179 L CB -0.470 41.620 42.059 0.051 0.000 0.892 179 L HN 0.223 nan 8.230 nan 0.000 0.431 180 K N -0.677 119.769 120.400 0.077 0.000 2.001 180 K HA -0.289 4.031 4.320 -0.000 0.000 0.214 180 K C 2.234 178.882 176.600 0.079 0.000 1.050 180 K CA 1.830 58.155 56.287 0.063 0.000 0.934 180 K CB -0.385 32.149 32.500 0.057 0.000 0.718 180 K HN 0.392 nan 8.250 nan 0.000 0.443 181 H N 0.278 119.357 119.070 0.014 0.000 2.265 181 H HA -0.154 4.402 4.556 -0.000 0.000 0.293 181 H C 1.986 177.320 175.328 0.010 0.000 1.089 181 H CA 2.378 58.431 56.048 0.007 0.000 1.244 181 H CB -0.209 29.555 29.762 0.005 0.000 1.355 181 H HN 0.060 nan 8.280 nan 0.000 0.485 182 V N 0.777 120.660 119.914 -0.051 0.000 2.343 182 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 182 V C 2.984 179.034 176.094 -0.074 0.000 1.051 182 V CA 1.488 63.728 62.300 -0.100 0.000 1.036 182 V CB -0.446 31.407 31.823 0.050 0.000 0.654 182 V HN 0.294 nan 8.190 nan 0.000 0.451 183 V N -0.592 119.308 119.914 -0.023 0.000 2.548 183 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 183 V C 2.503 178.577 176.094 -0.034 0.000 1.055 183 V CA 2.283 64.573 62.300 -0.015 0.000 1.065 183 V CB -0.797 31.029 31.823 0.004 0.000 0.681 183 V HN 0.586 nan 8.190 nan 0.000 0.462 184 T N 0.475 114.999 114.554 -0.050 0.000 2.708 184 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 184 T C 1.838 176.492 174.700 -0.077 0.000 1.037 184 T CA 1.709 63.778 62.100 -0.051 0.000 1.146 184 T CB -0.243 68.599 68.868 -0.043 0.000 0.865 184 T HN 0.340 nan 8.240 nan 0.000 0.435 185 I N 0.802 121.288 120.570 -0.140 0.000 2.179 185 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 185 I C 2.556 178.629 176.117 -0.074 0.000 1.088 185 I CA 1.168 62.383 61.300 -0.142 0.000 1.357 185 I CB -0.277 37.582 38.000 -0.235 0.000 1.051 185 I HN 0.118 nan 8.210 nan 0.000 0.409 186 K N 1.336 121.705 120.400 -0.051 0.000 2.002 186 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 186 K C 2.250 178.847 176.600 -0.005 0.000 1.048 186 K CA 1.470 57.751 56.287 -0.009 0.000 0.930 186 K CB -0.405 32.097 32.500 0.002 0.000 0.714 186 K HN -0.010 nan 8.250 nan 0.000 0.438 187 R N 0.584 121.076 120.500 -0.013 0.000 2.136 187 R HA -0.223 4.117 4.340 -0.000 0.000 0.242 187 R C 2.059 178.355 176.300 -0.006 0.000 1.131 187 R CA 2.349 58.444 56.100 -0.007 0.000 0.937 187 R CB -0.564 29.729 30.300 -0.011 0.000 0.863 187 R HN 0.303 nan 8.270 nan 0.000 0.435 188 E N 0.059 120.249 120.200 -0.017 0.000 2.118 188 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 188 E C 1.759 178.354 176.600 -0.007 0.000 0.992 188 E CA 1.040 57.430 56.400 -0.016 0.000 0.804 188 E CB -0.125 29.557 29.700 -0.030 0.000 0.741 188 E HN 0.173 nan 8.360 nan 0.000 0.458 189 L N -0.985 120.235 121.223 -0.004 0.000 2.270 189 L HA 0.248 4.588 4.340 -0.000 0.000 0.210 189 L C 1.502 178.391 176.870 0.031 0.000 1.104 189 L CA 1.256 56.105 54.840 0.016 0.000 0.804 189 L CB -1.005 41.072 42.059 0.030 0.000 0.937 189 L HN 0.292 nan 8.230 nan 0.000 0.450 190 G N 0.845 109.659 108.800 0.025 0.000 2.575 190 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.267 190 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.267 190 G C 0.400 175.321 174.900 0.035 0.000 1.264 190 G CA 0.440 45.556 45.100 0.026 0.000 0.935 190 G HN 0.443 nan 8.290 nan 0.000 0.568 191 D N -0.134 120.282 120.400 0.028 0.000 2.352 191 D HA 0.146 4.786 4.640 -0.000 0.000 0.232 191 D C 2.127 178.441 176.300 0.023 0.000 1.055 191 D CA 1.434 55.449 54.000 0.025 0.000 0.891 191 D CB -0.246 40.564 40.800 0.016 0.000 0.897 191 D HN 0.879 nan 8.370 nan 0.000 0.529 192 S N -1.103 114.618 115.700 0.035 0.000 2.496 192 S HA 0.362 4.831 4.470 -0.000 0.000 0.224 192 S C 0.860 175.492 174.600 0.052 0.000 0.996 192 S CA 0.007 58.229 58.200 0.036 0.000 0.927 192 S CB -0.024 63.208 63.200 0.053 0.000 0.774 192 S HN 0.457 nan 8.310 nan 0.000 0.524 193 A N 0.566 123.439 122.820 0.089 0.000 2.587 193 A HA 0.731 5.050 4.320 -0.000 0.000 0.293 193 A C -0.574 177.081 177.584 0.118 0.000 1.087 193 A CA -0.505 51.614 52.037 0.136 0.000 0.692 193 A CB 1.379 20.607 19.000 0.379 0.000 1.291 193 A HN 0.249 nan 8.150 nan 0.000 0.407 194 S N 0.279 116.034 115.700 0.092 0.000 2.480 194 S HA 0.605 5.075 4.470 -0.000 0.000 0.286 194 S C -0.706 173.975 174.600 0.136 0.000 1.180 194 S CA -0.350 57.911 58.200 0.101 0.000 1.075 194 S CB 0.404 63.663 63.200 0.098 0.000 0.996 194 S HN 1.035 nan 8.310 nan 0.000 0.487 195 V N 6.284 126.267 119.914 0.116 0.000 2.448 195 V HA 0.615 4.735 4.120 -0.000 0.000 0.295 195 V C -0.189 175.934 176.094 0.047 0.000 1.025 195 V CA -0.797 61.569 62.300 0.110 0.000 0.859 195 V CB 1.458 33.334 31.823 0.089 0.000 0.988 195 V HN 0.896 nan 8.190 nan 0.000 0.431 196 R N 2.395 122.915 120.500 0.033 0.000 2.888 196 R HA 0.890 5.230 4.340 -0.000 0.000 0.266 196 R C -0.790 175.492 176.300 -0.031 0.000 1.020 196 R CA -0.730 55.346 56.100 -0.039 0.000 0.963 196 R CB 2.313 32.556 30.300 -0.095 0.000 1.197 196 R HN 0.665 nan 8.270 nan 0.000 0.481 197 V N -2.351 117.522 119.914 -0.068 0.000 3.074 197 V HA 0.697 4.817 4.120 -0.000 0.000 0.314 197 V C -1.173 174.857 176.094 -0.107 0.000 1.117 197 V CA -0.700 61.562 62.300 -0.064 0.000 1.014 197 V CB 2.271 34.064 31.823 -0.050 0.000 1.057 197 V HN 0.683 nan 8.190 nan 0.000 0.438 198 D N 1.174 121.508 120.400 -0.111 0.000 2.476 198 D HA 0.439 5.079 4.640 -0.000 0.000 0.251 198 D C 0.212 176.409 176.300 -0.171 0.000 1.291 198 D CA -0.233 53.701 54.000 -0.109 0.000 0.939 198 D CB 2.079 42.863 40.800 -0.027 0.000 1.221 198 D HN 0.405 nan 8.370 nan 0.000 0.567 199 V N 2.873 122.621 119.914 -0.277 0.000 3.623 199 V HA 0.064 4.184 4.120 -0.000 0.000 0.271 199 V C 1.278 177.305 176.094 -0.111 0.000 1.248 199 V CA -0.127 61.919 62.300 -0.422 0.000 1.156 199 V CB -0.959 30.303 31.823 -0.936 0.000 0.870 199 V HN 0.748 nan 8.190 nan 0.000 0.453 200 N N 1.525 120.198 118.700 -0.046 0.000 2.716 200 N HA -0.295 4.445 4.740 -0.000 0.000 0.250 200 N C 0.690 176.130 175.510 -0.117 0.000 1.033 200 N CA 1.232 54.282 53.050 -0.000 0.000 0.727 200 N CB -0.657 37.912 38.487 0.136 0.000 0.950 200 N HN 0.817 nan 8.380 nan 0.000 0.541 201 Q N -3.776 115.946 119.800 -0.130 0.000 2.362 201 Q HA -0.299 4.041 4.340 -0.000 0.000 0.220 201 Q C 0.331 176.226 176.000 -0.176 0.000 0.713 201 Q CA 1.576 57.285 55.803 -0.156 0.000 1.345 201 Q CB -1.653 26.965 28.738 -0.201 0.000 1.570 201 Q HN 0.643 nan 8.270 nan 0.000 0.701 202 Y N -1.156 119.028 120.300 -0.193 0.000 2.403 202 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 202 Y C 1.095 177.015 175.900 0.034 0.000 1.143 202 Y CA 1.020 59.039 58.100 -0.134 0.000 1.257 202 Y CB 0.292 38.622 38.460 -0.216 0.000 0.984 202 Y HN 0.195 nan 8.280 nan 0.000 0.550 203 W N 1.345 122.707 121.300 0.103 0.000 2.436 203 W HA 0.291 4.951 4.660 -0.000 0.000 0.347 203 W C -0.327 176.202 176.519 0.017 0.000 1.136 203 W CA -1.634 55.743 57.345 0.054 0.000 1.286 203 W CB 0.410 29.894 29.460 0.040 0.000 1.253 203 W HN -0.018 nan 8.180 nan 0.000 0.617 204 D N -0.908 119.645 120.400 0.254 0.000 2.228 204 D HA 0.101 4.741 4.640 -0.000 0.000 0.247 204 D C 0.753 177.115 176.300 0.103 0.000 0.995 204 D CA -0.588 53.489 54.000 0.128 0.000 0.903 204 D CB 1.064 41.908 40.800 0.073 0.000 1.205 204 D HN 0.554 nan 8.370 nan 0.000 0.459 205 E N 0.656 120.899 120.200 0.071 0.000 2.164 205 E HA -0.349 4.001 4.350 -0.000 0.000 0.206 205 E C 1.523 178.125 176.600 0.003 0.000 1.032 205 E CA 2.180 58.608 56.400 0.046 0.000 0.832 205 E CB -0.021 29.697 29.700 0.029 0.000 0.742 205 E HN 0.574 nan 8.360 nan 0.000 0.460 206 S N -0.472 115.222 115.700 -0.010 0.000 2.419 206 S HA -0.203 4.267 4.470 -0.000 0.000 0.233 206 S C 1.827 176.371 174.600 -0.094 0.000 1.016 206 S CA 1.299 59.474 58.200 -0.041 0.000 0.974 206 S CB -0.106 63.076 63.200 -0.030 0.000 0.786 206 S HN 0.339 nan 8.310 nan 0.000 0.492 207 Q N 0.520 120.247 119.800 -0.122 0.000 2.204 207 Q HA 0.324 4.664 4.340 -0.000 0.000 0.198 207 Q C 2.580 178.299 176.000 -0.468 0.000 0.946 207 Q CA 0.886 56.511 55.803 -0.297 0.000 0.859 207 Q CB -0.358 28.180 28.738 -0.334 0.000 0.946 207 Q HN 0.722 nan 8.270 nan 0.000 0.474 208 A N 0.970 123.637 122.820 -0.255 0.000 1.972 208 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 208 A C 1.996 179.499 177.584 -0.135 0.000 1.169 208 A CA 0.910 52.857 52.037 -0.150 0.000 0.635 208 A CB -0.612 18.506 19.000 0.197 0.000 0.810 208 A HN 0.298 nan 8.150 nan 0.000 0.446 209 I N -1.071 119.438 120.570 -0.103 0.000 2.113 209 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 209 I C 2.829 178.886 176.117 -0.099 0.000 1.064 209 I CA 1.964 63.220 61.300 -0.074 0.000 1.320 209 I CB -0.251 37.713 38.000 -0.060 0.000 1.028 209 I HN 0.343 nan 8.210 nan 0.000 0.406 210 R N 0.334 120.744 120.500 -0.150 0.000 2.080 210 R HA -0.050 4.290 4.340 -0.000 0.000 0.222 210 R C 2.414 178.614 176.300 -0.167 0.000 1.107 210 R CA 1.165 57.180 56.100 -0.141 0.000 0.980 210 R CB -0.204 30.009 30.300 -0.145 0.000 0.879 210 R HN 0.349 nan 8.270 nan 0.000 0.439 211 A N 0.645 123.284 122.820 -0.301 0.000 1.883 211 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 211 A C 2.453 179.983 177.584 -0.089 0.000 1.186 211 A CA 1.756 53.610 52.037 -0.305 0.000 0.624 211 A CB -1.102 17.386 19.000 -0.852 0.000 0.822 211 A HN 0.549 nan 8.150 nan 0.000 0.444 212 C N -1.307 117.968 119.300 -0.042 0.000 2.401 212 C HA -0.132 4.328 4.460 -0.000 0.000 0.276 212 C C 2.893 177.891 174.990 0.013 0.000 1.233 212 C CA 1.556 60.604 59.018 0.050 0.000 1.753 212 C CB -1.159 26.615 27.740 0.057 0.000 2.029 212 C HN 0.802 nan 8.230 nan 0.000 0.478 213 Q N 0.832 120.622 119.800 -0.017 0.000 2.020 213 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 213 Q C 2.068 178.062 176.000 -0.011 0.000 0.982 213 Q CA 2.267 58.060 55.803 -0.016 0.000 0.838 213 Q CB -0.440 28.281 28.738 -0.028 0.000 0.899 213 Q HN 0.462 nan 8.270 nan 0.000 0.423 214 V N 0.698 120.600 119.914 -0.020 0.000 2.287 214 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 214 V C 2.392 178.491 176.094 0.008 0.000 1.053 214 V CA 1.941 64.235 62.300 -0.011 0.000 1.027 214 V CB -0.708 31.102 31.823 -0.021 0.000 0.646 214 V HN 0.406 nan 8.190 nan 0.000 0.447 215 L N 0.370 121.608 121.223 0.025 0.000 2.012 215 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 215 L C 2.653 179.536 176.870 0.022 0.000 1.073 215 L CA 1.957 56.821 54.840 0.040 0.000 0.748 215 L CB -1.265 40.840 42.059 0.077 0.000 0.891 215 L HN 0.496 nan 8.230 nan 0.000 0.431 216 G N -0.834 107.976 108.800 0.016 0.000 2.443 216 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 216 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 216 G C 1.005 175.911 174.900 0.009 0.000 1.131 216 G CA 0.612 45.717 45.100 0.008 0.000 0.775 216 G HN 0.305 nan 8.290 nan 0.000 0.547 217 D N 0.067 120.471 120.400 0.007 0.000 2.355 217 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 217 D C 1.006 177.311 176.300 0.008 0.000 1.004 217 D CA 0.253 54.257 54.000 0.006 0.000 0.880 217 D CB 0.137 40.937 40.800 0.001 0.000 0.911 217 D HN 0.213 nan 8.370 nan 0.000 0.528 218 N N -0.273 118.433 118.700 0.011 0.000 2.480 218 N HA 0.186 4.926 4.740 -0.000 0.000 0.281 218 N C 0.687 176.206 175.510 0.015 0.000 1.381 218 N CA 0.082 53.139 53.050 0.011 0.000 0.903 218 N CB 1.557 40.050 38.487 0.010 0.000 1.274 218 N HN 0.062 nan 8.380 nan 0.000 0.505 219 G N 0.904 109.715 108.800 0.018 0.000 2.168 219 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 219 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 219 G C 0.120 175.036 174.900 0.027 0.000 0.977 219 G CA -0.150 44.966 45.100 0.026 0.000 0.659 219 G HN 0.275 nan 8.290 nan 0.000 0.533 220 I N 1.816 122.397 120.570 0.018 0.000 2.517 220 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 220 I C 1.281 177.390 176.117 -0.012 0.000 1.106 220 I CA -0.928 60.376 61.300 0.007 0.000 1.402 220 I CB 1.023 39.027 38.000 0.006 0.000 1.399 220 I HN 0.034 nan 8.210 nan 0.000 0.535 221 D N 5.316 125.706 120.400 -0.016 0.000 2.178 221 D HA 0.010 4.650 4.640 -0.000 0.000 0.202 221 D C 0.238 176.372 176.300 -0.277 0.000 0.974 221 D CA 1.293 55.269 54.000 -0.040 0.000 0.841 221 D CB 0.131 40.986 40.800 0.092 0.000 0.953 221 D HN 0.422 nan 8.370 nan 0.000 0.478 222 L N -2.813 118.218 121.223 -0.319 0.000 2.653 222 L HA 0.468 4.808 4.340 -0.000 0.000 0.257 222 L C -1.548 175.158 176.870 -0.274 0.000 0.969 222 L CA -0.887 53.686 54.840 -0.444 0.000 0.869 222 L CB 1.684 43.229 42.059 -0.858 0.000 1.439 222 L HN -0.276 nan 8.230 nan 0.000 0.414 223 I N 1.424 121.859 120.570 -0.225 0.000 2.405 223 I HA 0.400 4.569 4.170 -0.000 0.000 0.280 223 I C -0.309 175.715 176.117 -0.155 0.000 1.027 223 I CA -0.318 60.901 61.300 -0.135 0.000 1.161 223 I CB 1.620 39.601 38.000 -0.033 0.000 1.300 223 I HN 0.792 nan 8.210 nan 0.000 0.463 224 E N 5.695 125.789 120.200 -0.177 0.000 2.223 224 E HA 0.054 4.404 4.350 -0.000 0.000 0.282 224 E C 0.069 176.600 176.600 -0.115 0.000 1.046 224 E CA -0.401 55.903 56.400 -0.160 0.000 0.857 224 E CB 0.591 30.188 29.700 -0.173 0.000 1.055 224 E HN 0.445 nan 8.360 nan 0.000 0.409 225 Q N 3.905 123.658 119.800 -0.078 0.000 2.426 225 Q HA -0.186 4.154 4.340 -0.000 0.000 0.359 225 Q C -1.994 173.955 176.000 -0.085 0.000 1.381 225 Q CA 0.557 56.324 55.803 -0.060 0.000 1.060 225 Q CB -0.253 28.454 28.738 -0.052 0.000 1.253 225 Q HN 0.502 nan 8.270 nan 0.000 0.363 226 P HA -0.142 nan 4.420 nan 0.000 0.214 226 P C 0.867 178.192 177.300 0.042 0.000 1.163 226 P CA 1.877 64.963 63.100 -0.024 0.000 0.883 226 P CB -0.205 31.608 31.700 0.188 0.000 0.788 227 I N -4.132 116.485 120.570 0.077 0.000 3.100 227 I HA 0.542 4.712 4.170 -0.000 0.000 0.312 227 I C 0.339 176.460 176.117 0.007 0.000 1.063 227 I CA -1.277 60.069 61.300 0.078 0.000 1.031 227 I CB 1.711 39.773 38.000 0.103 0.000 1.243 227 I HN -0.228 nan 8.210 nan 0.000 0.483 228 S N 0.863 116.561 115.700 -0.005 0.000 2.572 228 S HA 0.133 4.603 4.470 -0.000 0.000 0.279 228 S C 1.299 175.884 174.600 -0.024 0.000 1.341 228 S CA -0.334 57.843 58.200 -0.038 0.000 1.043 228 S CB 0.611 63.782 63.200 -0.047 0.000 0.887 228 S HN 0.839 nan 8.310 nan 0.000 0.516 229 R N 3.196 123.676 120.500 -0.033 0.000 2.285 229 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 229 R C 1.708 177.999 176.300 -0.014 0.000 1.068 229 R CA 1.780 57.868 56.100 -0.021 0.000 1.004 229 R CB -0.944 29.342 30.300 -0.023 0.000 0.873 229 R HN 0.831 nan 8.270 nan 0.000 0.467 230 I N -1.639 118.921 120.570 -0.017 0.000 2.928 230 I HA 0.059 4.229 4.170 -0.000 0.000 0.266 230 I C 0.409 176.523 176.117 -0.005 0.000 1.234 230 I CA 0.294 61.586 61.300 -0.013 0.000 1.483 230 I CB -0.193 37.797 38.000 -0.018 0.000 1.097 230 I HN -0.033 nan 8.210 nan 0.000 0.455 231 N N 1.835 120.535 118.700 -0.000 0.000 2.817 231 N HA 0.136 4.876 4.740 -0.000 0.000 0.234 231 N C 0.765 176.281 175.510 0.010 0.000 1.066 231 N CA -0.283 52.771 53.050 0.007 0.000 0.926 231 N CB 0.771 39.266 38.487 0.014 0.000 1.176 231 N HN 0.124 nan 8.380 nan 0.000 0.506 232 R N 2.578 123.083 120.500 0.008 0.000 2.062 232 R HA 0.162 4.502 4.340 -0.000 0.000 0.229 232 R C 1.808 178.116 176.300 0.014 0.000 1.128 232 R CA 1.863 57.970 56.100 0.011 0.000 0.960 232 R CB -0.901 29.405 30.300 0.010 0.000 0.855 232 R HN 0.548 nan 8.270 nan 0.000 0.432 233 G N -0.966 107.841 108.800 0.011 0.000 2.432 233 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 233 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 233 G C 1.468 176.375 174.900 0.013 0.000 1.135 233 G CA 0.722 45.828 45.100 0.011 0.000 0.767 233 G HN 0.518 nan 8.290 nan 0.000 0.550 234 G N -0.014 108.795 108.800 0.016 0.000 2.421 234 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 234 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 234 G C 1.752 176.668 174.900 0.026 0.000 1.143 234 G CA 0.860 45.973 45.100 0.021 0.000 0.784 234 G HN 0.506 nan 8.290 nan 0.000 0.541 235 Q N -0.199 119.617 119.800 0.026 0.000 2.079 235 Q HA -0.024 4.316 4.340 -0.000 0.000 0.200 235 Q C 2.833 178.848 176.000 0.026 0.000 0.974 235 Q CA 1.199 57.020 55.803 0.030 0.000 0.840 235 Q CB -0.184 28.572 28.738 0.031 0.000 0.898 235 Q HN 0.356 nan 8.270 nan 0.000 0.430 236 V N 0.908 120.834 119.914 0.021 0.000 2.343 236 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 236 V C 2.189 178.290 176.094 0.011 0.000 1.051 236 V CA 1.869 64.179 62.300 0.015 0.000 1.036 236 V CB -0.482 31.347 31.823 0.011 0.000 0.654 236 V HN 0.271 nan 8.190 nan 0.000 0.451 237 R N -0.448 120.059 120.500 0.012 0.000 2.070 237 R HA -0.068 4.272 4.340 -0.000 0.000 0.233 237 R C 2.294 178.600 176.300 0.010 0.000 1.137 237 R CA 1.474 57.579 56.100 0.009 0.000 0.945 237 R CB -0.405 29.900 30.300 0.008 0.000 0.845 237 R HN 0.402 nan 8.270 nan 0.000 0.430 238 L N 0.501 121.734 121.223 0.017 0.000 2.191 238 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 238 L C 1.980 178.857 176.870 0.012 0.000 1.103 238 L CA 0.946 55.798 54.840 0.019 0.000 0.769 238 L CB -0.395 41.684 42.059 0.035 0.000 0.908 238 L HN 0.242 nan 8.230 nan 0.000 0.438 239 N N -0.777 117.930 118.700 0.012 0.000 2.459 239 N HA -0.189 4.551 4.740 -0.000 0.000 0.181 239 N C 1.911 177.422 175.510 0.001 0.000 1.046 239 N CA 0.761 53.814 53.050 0.005 0.000 0.904 239 N CB 0.171 38.663 38.487 0.008 0.000 0.964 239 N HN 0.194 nan 8.380 nan 0.000 0.444 240 Q N 0.103 119.904 119.800 0.002 0.000 2.259 240 Q HA 0.060 4.400 4.340 -0.000 0.000 0.201 240 Q C 1.692 177.692 176.000 0.000 0.000 0.938 240 Q CA 0.807 56.611 55.803 0.000 0.000 0.872 240 Q CB 0.210 28.948 28.738 0.000 0.000 0.971 240 Q HN 0.620 nan 8.270 nan 0.000 0.494 241 R N -0.951 119.550 120.500 0.001 0.000 2.237 241 R HA 0.178 4.518 4.340 -0.000 0.000 0.195 241 R C 0.252 176.552 176.300 0.000 0.000 0.956 241 R CA 0.228 56.328 56.100 0.000 0.000 1.029 241 R CB -0.226 30.073 30.300 -0.001 0.000 0.972 241 R HN -0.148 nan 8.270 nan 0.000 0.493 242 T N 3.774 118.330 114.554 0.003 0.000 2.853 242 T HA 0.096 4.446 4.350 -0.000 0.000 0.298 242 T C -1.915 172.784 174.700 -0.001 0.000 0.978 242 T CA -1.161 60.941 62.100 0.003 0.000 1.152 242 T CB 1.439 70.310 68.868 0.004 0.000 0.914 242 T HN 0.086 nan 8.240 nan 0.000 0.539 243 P HA 0.085 nan 4.420 nan 0.000 0.220 243 P C 0.114 177.414 177.300 -0.000 0.000 1.148 243 P CA 0.504 63.605 63.100 0.002 0.000 0.803 243 P CB 0.220 31.922 31.700 0.003 0.000 0.782 244 A N 0.490 123.304 122.820 -0.011 0.000 2.317 244 A HA 0.575 4.895 4.320 -0.000 0.000 0.327 244 A C -2.505 175.041 177.584 -0.064 0.000 1.178 244 A CA -2.114 49.901 52.037 -0.036 0.000 0.817 244 A CB 0.266 19.240 19.000 -0.043 0.000 1.189 244 A HN -0.076 nan 8.150 nan 0.000 0.489 245 P HA 0.091 nan 4.420 nan 0.000 0.266 245 P C -0.636 176.566 177.300 -0.163 0.000 1.195 245 P CA 0.151 63.176 63.100 -0.125 0.000 0.768 245 P CB 0.440 32.045 31.700 -0.158 0.000 0.838 246 I N 3.857 124.366 120.570 -0.103 0.000 2.331 246 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 246 I C 0.698 176.762 176.117 -0.087 0.000 0.998 246 I CA -0.684 60.568 61.300 -0.080 0.000 1.267 246 I CB 0.447 38.435 38.000 -0.020 0.000 1.386 246 I HN 0.384 nan 8.210 nan 0.000 0.476 247 M N 5.560 125.094 119.600 -0.111 0.000 2.294 247 M HA 0.657 5.137 4.480 -0.000 0.000 0.335 247 M C -0.752 175.550 176.300 0.004 0.000 1.079 247 M CA -0.667 54.589 55.300 -0.073 0.000 0.982 247 M CB 1.776 34.249 32.600 -0.212 0.000 1.651 247 M HN 0.664 nan 8.290 nan 0.000 0.437 248 A N 3.358 126.247 122.820 0.115 0.000 2.289 248 A HA 0.423 4.743 4.320 -0.000 0.000 0.298 248 A C -0.437 177.152 177.584 0.008 0.000 1.208 248 A CA -0.417 51.655 52.037 0.057 0.000 0.845 248 A CB 0.611 19.646 19.000 0.059 0.000 1.125 248 A HN 0.947 nan 8.150 nan 0.000 0.517 249 D N 1.114 121.506 120.400 -0.013 0.000 3.054 249 D HA 0.025 4.665 4.640 -0.000 0.000 0.209 249 D C 1.242 177.535 176.300 -0.012 0.000 1.527 249 D CA 0.391 54.393 54.000 0.004 0.000 1.427 249 D CB -0.134 40.690 40.800 0.040 0.000 1.059 249 D HN 0.383 nan 8.370 nan 0.000 0.243 250 E N 0.311 120.510 120.200 -0.002 0.000 2.267 250 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 250 E C 1.996 178.586 176.600 -0.016 0.000 0.998 250 E CA 0.814 57.214 56.400 -0.000 0.000 0.830 250 E CB -0.198 29.485 29.700 -0.027 0.000 0.751 250 E HN 0.081 nan 8.360 nan 0.000 0.491 251 S N -0.213 115.463 115.700 -0.040 0.000 2.419 251 S HA -0.022 4.448 4.470 -0.000 0.000 0.233 251 S C 0.755 175.309 174.600 -0.077 0.000 1.016 251 S CA 0.465 58.635 58.200 -0.051 0.000 0.974 251 S CB -0.065 63.101 63.200 -0.056 0.000 0.786 251 S HN 0.186 nan 8.310 nan 0.000 0.492 252 I N 1.868 122.371 120.570 -0.113 0.000 2.301 252 I HA 0.159 4.329 4.170 -0.000 0.000 0.292 252 I C 0.608 176.702 176.117 -0.039 0.000 1.046 252 I CA 0.136 61.355 61.300 -0.134 0.000 1.282 252 I CB 0.890 38.749 38.000 -0.235 0.000 1.409 252 I HN 0.141 nan 8.210 nan 0.000 0.484 253 E N 4.464 124.665 120.200 0.002 0.000 2.630 253 E HA 0.155 4.505 4.350 -0.000 0.000 0.218 253 E C -0.309 176.334 176.600 0.071 0.000 0.977 253 E CA -0.086 56.358 56.400 0.074 0.000 1.038 253 E CB 0.836 30.611 29.700 0.126 0.000 1.051 253 E HN 0.728 nan 8.360 nan 0.000 0.487 254 S N -2.038 113.676 115.700 0.023 0.000 2.645 254 S HA 0.106 4.576 4.470 -0.000 0.000 0.268 254 S C 0.606 175.214 174.600 0.013 0.000 1.110 254 S CA -0.685 57.531 58.200 0.027 0.000 0.823 254 S CB 0.979 64.204 63.200 0.042 0.000 1.091 254 S HN -0.161 nan 8.310 nan 0.000 0.466 255 V N 1.492 121.424 119.914 0.029 0.000 2.343 255 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 255 V C 2.458 178.601 176.094 0.081 0.000 1.051 255 V CA 2.550 64.880 62.300 0.050 0.000 1.036 255 V CB -1.266 30.587 31.823 0.050 0.000 0.654 255 V HN 0.917 nan 8.190 nan 0.000 0.451 256 E N 0.030 120.270 120.200 0.067 0.000 2.204 256 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 256 E C 1.867 178.544 176.600 0.128 0.000 0.989 256 E CA 1.112 57.571 56.400 0.097 0.000 0.824 256 E CB -0.311 29.418 29.700 0.049 0.000 0.756 256 E HN 0.541 nan 8.360 nan 0.000 0.477 257 D N -0.037 120.399 120.400 0.060 0.000 2.144 257 D HA -0.055 4.585 4.640 -0.000 0.000 0.200 257 D C 1.833 178.125 176.300 -0.014 0.000 0.978 257 D CA 1.290 55.302 54.000 0.019 0.000 0.833 257 D CB -0.234 40.552 40.800 -0.024 0.000 0.961 257 D HN 0.204 nan 8.370 nan 0.000 0.470 258 A N 0.166 122.967 122.820 -0.031 0.000 1.902 258 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 258 A C 2.125 179.825 177.584 0.193 0.000 1.181 258 A CA 1.011 53.001 52.037 -0.079 0.000 0.623 258 A CB -0.989 18.014 19.000 0.004 0.000 0.818 258 A HN 0.279 nan 8.150 nan 0.000 0.443 259 F N 0.733 120.740 119.950 0.095 0.000 2.075 259 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 259 F C 2.727 178.588 175.800 0.103 0.000 1.113 259 F CA 1.818 59.884 58.000 0.111 0.000 1.218 259 F CB -0.561 38.480 39.000 0.068 0.000 0.984 259 F HN 0.231 nan 8.300 nan 0.000 0.472 260 S N 0.506 116.312 115.700 0.175 0.000 2.368 260 S HA -0.246 4.224 4.470 -0.000 0.000 0.226 260 S C 2.137 176.732 174.600 -0.008 0.000 1.044 260 S CA 2.050 60.294 58.200 0.073 0.000 1.062 260 S CB -0.697 62.565 63.200 0.103 0.000 0.931 260 S HN 0.437 nan 8.310 nan 0.000 0.440 261 L N 0.976 122.226 121.223 0.046 0.000 2.046 261 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 261 L C 2.919 179.884 176.870 0.157 0.000 1.077 261 L CA 1.346 56.253 54.840 0.112 0.000 0.747 261 L CB -0.667 41.465 42.059 0.122 0.000 0.896 261 L HN 0.419 nan 8.230 nan 0.000 0.432 262 A N -0.078 122.857 122.820 0.193 0.000 1.902 262 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 262 A C 2.520 180.008 177.584 -0.161 0.000 1.181 262 A CA 1.666 53.711 52.037 0.013 0.000 0.623 262 A CB -0.808 18.183 19.000 -0.014 0.000 0.818 262 A HN 0.390 nan 8.150 nan 0.000 0.443 263 A N -0.391 122.227 122.820 -0.337 0.000 1.972 263 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 263 A C 1.681 179.180 177.584 -0.143 0.000 1.169 263 A CA 1.954 53.788 52.037 -0.338 0.000 0.635 263 A CB -0.441 18.264 19.000 -0.493 0.000 0.810 263 A HN 0.445 nan 8.150 nan 0.000 0.446 264 D N -1.422 118.928 120.400 -0.084 0.000 2.305 264 D HA 0.218 4.858 4.640 -0.000 0.000 0.206 264 D C 1.326 177.614 176.300 -0.020 0.000 0.974 264 D CA 1.227 55.207 54.000 -0.033 0.000 0.871 264 D CB -0.089 40.708 40.800 -0.005 0.000 0.947 264 D HN 0.586 nan 8.370 nan 0.000 0.516 265 G N 0.520 109.308 108.800 -0.020 0.000 2.248 265 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.263 265 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.263 265 G C 0.905 175.812 174.900 0.012 0.000 1.082 265 G CA 0.452 45.542 45.100 -0.017 0.000 0.863 265 G HN 0.446 nan 8.290 nan 0.000 0.495 266 A N -1.259 121.591 122.820 0.050 0.000 2.218 266 A HA 0.813 5.133 4.320 -0.000 0.000 0.209 266 A C 1.305 178.945 177.584 0.093 0.000 1.168 266 A CA 1.579 53.657 52.037 0.068 0.000 0.804 266 A CB 0.220 19.266 19.000 0.078 0.000 0.834 266 A HN 2.406 nan 8.150 nan 0.000 0.482 267 A N -1.044 121.839 122.820 0.105 0.000 2.565 267 A HA 0.520 4.840 4.320 -0.000 0.000 0.298 267 A C 0.436 178.001 177.584 -0.031 0.000 1.062 267 A CA 0.286 52.377 52.037 0.091 0.000 0.723 267 A CB -0.021 19.126 19.000 0.246 0.000 1.282 267 A HN 0.775 nan 8.150 nan 0.000 0.400 268 S N 0.506 116.178 115.700 -0.046 0.000 2.575 268 S HA 0.436 4.906 4.470 -0.000 0.000 0.215 268 S C 0.334 174.889 174.600 -0.075 0.000 0.966 268 S CA 0.451 58.605 58.200 -0.077 0.000 0.911 268 S CB -0.615 62.573 63.200 -0.021 0.000 0.780 268 S HN 0.615 nan 8.310 nan 0.000 0.514 269 I N 1.053 121.590 120.570 -0.055 0.000 2.619 269 I HA 0.493 4.662 4.170 -0.000 0.000 0.292 269 I C -1.445 174.794 176.117 0.204 0.000 1.100 269 I CA -0.858 60.454 61.300 0.019 0.000 1.043 269 I CB 2.008 39.971 38.000 -0.063 0.000 1.239 269 I HN -0.040 nan 8.210 nan 0.000 0.420 270 F N 3.414 123.398 119.950 0.056 0.000 2.482 270 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 270 F C 0.517 176.373 175.800 0.094 0.000 1.115 270 F CA -1.460 56.572 58.000 0.054 0.000 0.955 270 F CB 2.012 41.046 39.000 0.056 0.000 1.136 270 F HN 0.455 nan 8.300 nan 0.000 0.452 271 A N 4.875 127.859 122.820 0.272 0.000 2.354 271 A HA 0.680 5.000 4.320 -0.000 0.000 0.269 271 A C -0.721 176.962 177.584 0.165 0.000 1.109 271 A CA -0.439 51.765 52.037 0.279 0.000 0.800 271 A CB 0.267 19.422 19.000 0.259 0.000 1.045 271 A HN 0.728 nan 8.150 nan 0.000 0.489 272 L N 2.818 124.096 121.223 0.091 0.000 2.294 272 L HA 0.403 4.742 4.340 -0.000 0.000 0.283 272 L C -0.103 176.875 176.870 0.180 0.000 1.015 272 L CA -0.079 54.822 54.840 0.102 0.000 0.831 272 L CB 1.146 43.245 42.059 0.067 0.000 1.217 272 L HN 0.660 nan 8.230 nan 0.000 0.420 273 K N 3.882 124.355 120.400 0.122 0.000 2.413 273 K HA 0.339 4.659 4.320 -0.000 0.000 0.257 273 K C 1.067 177.660 176.600 -0.011 0.000 0.946 273 K CA -0.522 55.807 56.287 0.069 0.000 0.823 273 K CB 2.590 35.085 32.500 -0.008 0.000 1.109 273 K HN 0.582 nan 8.250 nan 0.000 0.427 274 I N -0.059 120.490 120.570 -0.036 0.000 2.286 274 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 274 I C 1.921 177.913 176.117 -0.208 0.000 1.115 274 I CA 1.450 62.690 61.300 -0.100 0.000 1.392 274 I CB -0.235 37.690 38.000 -0.126 0.000 1.065 274 I HN 0.548 nan 8.210 nan 0.000 0.418 275 A N 1.889 124.503 122.820 -0.344 0.000 1.908 275 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 275 A C 2.228 179.293 177.584 -0.864 0.000 1.181 275 A CA 1.613 53.196 52.037 -0.758 0.000 0.627 275 A CB -0.436 17.921 19.000 -1.071 0.000 0.818 275 A HN 0.406 nan 8.150 nan 0.000 0.445 276 K N -0.431 119.673 120.400 -0.495 0.000 2.418 276 K HA 0.048 4.368 4.320 -0.000 0.000 0.195 276 K C 0.706 177.242 176.600 -0.107 0.000 1.035 276 K CA 1.044 57.187 56.287 -0.241 0.000 1.003 276 K CB -0.303 32.138 32.500 -0.097 0.000 0.793 276 K HN 0.618 nan 8.250 nan 0.000 0.494 277 N N -0.848 117.784 118.700 -0.114 0.000 2.460 277 N HA 0.045 4.785 4.740 -0.000 0.000 0.193 277 N C 0.685 176.174 175.510 -0.034 0.000 1.080 277 N CA 0.777 53.801 53.050 -0.043 0.000 0.869 277 N CB 1.257 39.734 38.487 -0.017 0.000 1.201 277 N HN 0.235 nan 8.380 nan 0.000 0.457 278 G N -0.774 107.983 108.800 -0.072 0.000 2.174 278 G HA2 0.297 4.257 3.960 -0.000 0.000 0.140 278 G HA3 0.297 4.257 3.960 -0.000 0.000 0.140 278 G C 0.236 175.108 174.900 -0.046 0.000 1.031 278 G CA -0.218 44.856 45.100 -0.043 0.000 0.728 278 G HN 0.690 nan 8.290 nan 0.000 0.496 279 G N -1.203 107.555 108.800 -0.070 0.000 2.354 279 G HA2 0.408 4.368 3.960 -0.000 0.000 0.582 279 G HA3 0.408 4.368 3.960 -0.000 0.000 0.582 279 G C -1.615 173.249 174.900 -0.058 0.000 1.316 279 G CA 0.212 45.273 45.100 -0.064 0.000 0.995 279 G HN 0.261 nan 8.290 nan 0.000 0.573 280 P HA -0.052 nan 4.420 nan 0.000 0.215 280 P C 1.925 179.209 177.300 -0.026 0.000 1.153 280 P CA 1.498 64.555 63.100 -0.070 0.000 0.853 280 P CB 0.011 31.661 31.700 -0.083 0.000 0.788 281 R N -0.509 119.980 120.500 -0.017 0.000 2.090 281 R HA 0.033 4.373 4.340 -0.000 0.000 0.228 281 R C 2.356 178.665 176.300 0.015 0.000 1.110 281 R CA 1.376 57.477 56.100 0.002 0.000 0.973 281 R CB -1.045 29.254 30.300 -0.002 0.000 0.869 281 R HN 0.130 nan 8.270 nan 0.000 0.440 282 A N 0.579 123.403 122.820 0.007 0.000 1.898 282 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 282 A C 2.274 179.880 177.584 0.035 0.000 1.181 282 A CA 1.240 53.286 52.037 0.016 0.000 0.620 282 A CB -0.627 18.374 19.000 0.002 0.000 0.819 282 A HN 0.185 nan 8.150 nan 0.000 0.442 283 V N 0.042 119.978 119.914 0.038 0.000 2.515 283 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 283 V C 2.323 178.489 176.094 0.119 0.000 1.058 283 V CA 1.774 64.126 62.300 0.086 0.000 1.064 283 V CB -0.370 31.522 31.823 0.116 0.000 0.675 283 V HN 0.591 nan 8.190 nan 0.000 0.461 284 L N -0.922 120.358 121.223 0.094 0.000 2.217 284 L HA -0.086 4.254 4.340 -0.000 0.000 0.211 284 L C 2.677 179.602 176.870 0.091 0.000 1.107 284 L CA 1.222 56.122 54.840 0.100 0.000 0.783 284 L CB -0.535 41.568 42.059 0.074 0.000 0.919 284 L HN 0.226 nan 8.230 nan 0.000 0.442 285 R N -0.550 119.996 120.500 0.076 0.000 2.081 285 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 285 R C 2.309 178.674 176.300 0.107 0.000 1.131 285 R CA 1.862 58.008 56.100 0.076 0.000 0.960 285 R CB -0.267 30.067 30.300 0.057 0.000 0.856 285 R HN 0.240 nan 8.270 nan 0.000 0.436 286 T N 0.369 114.992 114.554 0.115 0.000 2.777 286 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 286 T C 1.768 176.589 174.700 0.201 0.000 1.040 286 T CA 1.314 63.506 62.100 0.153 0.000 1.141 286 T CB -0.165 68.772 68.868 0.115 0.000 0.868 286 T HN 0.377 nan 8.240 nan 0.000 0.444 287 A N 1.543 124.465 122.820 0.171 0.000 1.933 287 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 287 A C 2.305 179.966 177.584 0.129 0.000 1.175 287 A CA 1.745 53.878 52.037 0.161 0.000 0.628 287 A CB -0.689 18.398 19.000 0.145 0.000 0.814 287 A HN 0.535 nan 8.150 nan 0.000 0.444 288 Q N -0.044 119.825 119.800 0.116 0.000 2.084 288 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 288 Q C 2.001 178.064 176.000 0.106 0.000 0.978 288 Q CA 1.973 57.833 55.803 0.095 0.000 0.844 288 Q CB -0.276 28.512 28.738 0.084 0.000 0.898 288 Q HN 0.671 nan 8.270 nan 0.000 0.426 289 I N 1.121 121.779 120.570 0.146 0.000 2.252 289 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 289 I C 2.556 178.753 176.117 0.132 0.000 1.102 289 I CA 1.069 62.476 61.300 0.179 0.000 1.385 289 I CB -0.372 37.785 38.000 0.262 0.000 1.064 289 I HN 0.258 nan 8.210 nan 0.000 0.414 290 A N 0.059 122.962 122.820 0.138 0.000 1.902 290 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 290 A C 2.262 179.826 177.584 -0.034 0.000 1.181 290 A CA 1.472 53.505 52.037 -0.007 0.000 0.623 290 A CB -0.460 18.559 19.000 0.032 0.000 0.818 290 A HN 0.349 nan 8.150 nan 0.000 0.443 291 E N -0.254 119.958 120.200 0.020 0.000 2.110 291 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 291 E C 2.296 178.899 176.600 0.005 0.000 0.988 291 E CA 1.073 57.478 56.400 0.008 0.000 0.804 291 E CB -0.317 29.399 29.700 0.027 0.000 0.745 291 E HN 0.589 nan 8.360 nan 0.000 0.458 292 A N 1.085 123.921 122.820 0.026 0.000 1.969 292 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 292 A C 2.263 179.851 177.584 0.006 0.000 1.169 292 A CA 1.574 53.629 52.037 0.029 0.000 0.635 292 A CB -0.191 18.847 19.000 0.063 0.000 0.810 292 A HN 0.239 nan 8.150 nan 0.000 0.445 293 A N -2.102 120.706 122.820 -0.020 0.000 2.132 293 A HA 0.421 4.741 4.320 -0.000 0.000 0.213 293 A C 1.754 179.293 177.584 -0.075 0.000 1.154 293 A CA 1.240 53.242 52.037 -0.059 0.000 0.753 293 A CB -0.597 18.341 19.000 -0.104 0.000 0.826 293 A HN 1.845 nan 8.150 nan 0.000 0.469 294 G N -0.927 107.831 108.800 -0.070 0.000 2.130 294 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 294 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 294 G C 0.021 174.864 174.900 -0.095 0.000 0.999 294 G CA 0.124 45.186 45.100 -0.064 0.000 0.686 294 G HN 0.407 nan 8.290 nan 0.000 0.515 295 I N 1.493 121.966 120.570 -0.163 0.000 2.428 295 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 295 I C 1.426 177.459 176.117 -0.140 0.000 1.019 295 I CA -0.023 61.126 61.300 -0.252 0.000 1.351 295 I CB 1.246 38.875 38.000 -0.618 0.000 1.412 295 I HN 0.156 nan 8.210 nan 0.000 0.513 296 G N 6.388 115.161 108.800 -0.044 0.000 2.467 296 G HA2 0.426 4.386 3.960 -0.000 0.000 0.257 296 G HA3 0.426 4.386 3.960 -0.000 0.000 0.257 296 G C -0.470 174.512 174.900 0.137 0.000 1.227 296 G CA -0.467 44.685 45.100 0.087 0.000 0.835 296 G HN 0.254 nan 8.290 nan 0.000 0.556 297 L N 0.497 121.813 121.223 0.154 0.000 2.334 297 L HA 0.614 4.954 4.340 -0.000 0.000 0.270 297 L C -0.710 176.318 176.870 0.263 0.000 1.018 297 L CA -1.068 53.872 54.840 0.167 0.000 0.811 297 L CB 1.562 43.660 42.059 0.064 0.000 1.271 297 L HN 0.619 nan 8.230 nan 0.000 0.443 298 Y N -0.611 119.690 120.300 0.002 0.000 2.442 298 Y HA 0.573 5.123 4.550 -0.000 0.000 0.330 298 Y C 0.115 175.848 175.900 -0.278 0.000 1.100 298 Y CA -0.978 57.096 58.100 -0.044 0.000 1.034 298 Y CB 1.930 40.428 38.460 0.063 0.000 1.285 298 Y HN 0.609 nan 8.280 nan 0.000 0.440 299 G N 3.333 111.596 108.800 -0.894 0.000 2.394 299 G HA2 0.460 4.420 3.960 -0.000 0.000 0.298 299 G HA3 0.460 4.420 3.960 -0.000 0.000 0.298 299 G C 0.152 174.609 174.900 -0.738 0.000 1.087 299 G CA 0.121 44.458 45.100 -1.271 0.000 1.035 299 G HN 0.963 nan 8.290 nan 0.000 0.420 300 G N 0.334 108.955 108.800 -0.298 0.000 2.502 300 G HA2 0.611 4.571 3.960 -0.000 0.000 0.305 300 G HA3 0.611 4.571 3.960 -0.000 0.000 0.305 300 G C -0.467 174.438 174.900 0.010 0.000 1.190 300 G CA -0.269 44.780 45.100 -0.085 0.000 0.933 300 G HN 0.720 nan 8.290 nan 0.000 0.503 301 T N -0.752 113.778 114.554 -0.040 0.000 2.868 301 T HA 0.448 4.798 4.350 -0.000 0.000 0.306 301 T C -0.004 174.649 174.700 -0.078 0.000 1.224 301 T CA -0.662 61.386 62.100 -0.087 0.000 1.012 301 T CB 1.480 70.211 68.868 -0.230 0.000 1.221 301 T HN 0.189 nan 8.240 nan 0.000 0.499 302 M N 3.233 122.791 119.600 -0.071 0.000 2.589 302 M HA 0.414 4.894 4.480 -0.000 0.000 0.344 302 M C 0.286 176.536 176.300 -0.085 0.000 1.168 302 M CA 0.147 55.429 55.300 -0.030 0.000 0.956 302 M CB -0.895 31.750 32.600 0.076 0.000 1.370 302 M HN 0.704 nan 8.290 nan 0.000 0.518 303 L N 0.266 121.396 121.223 -0.154 0.000 3.600 303 L HA -0.240 4.100 4.340 -0.000 0.000 0.424 303 L C -0.201 176.619 176.870 -0.083 0.000 1.260 303 L CA 0.066 54.807 54.840 -0.163 0.000 0.883 303 L CB -1.941 40.042 42.059 -0.127 0.000 1.895 303 L HN 0.267 nan 8.230 nan 0.000 0.827 304 E N 0.330 120.488 120.200 -0.069 0.000 2.409 304 E HA 0.434 4.783 4.350 -0.000 0.000 0.257 304 E C 1.020 177.615 176.600 -0.007 0.000 1.150 304 E CA 0.783 57.165 56.400 -0.030 0.000 0.942 304 E CB 0.432 30.113 29.700 -0.032 0.000 0.979 304 E HN 0.280 nan 8.360 nan 0.000 0.447 305 G N -0.361 108.442 108.800 0.005 0.000 2.510 305 G HA2 0.071 4.031 3.960 -0.000 0.000 0.280 305 G HA3 0.071 4.031 3.960 -0.000 0.000 0.280 305 G C 0.773 175.694 174.900 0.035 0.000 1.386 305 G CA -0.346 44.769 45.100 0.025 0.000 1.047 305 G HN 0.430 nan 8.290 nan 0.000 0.527 306 S N -0.920 114.809 115.700 0.048 0.000 2.387 306 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 306 S C 2.381 176.994 174.600 0.021 0.000 1.035 306 S CA 1.137 59.365 58.200 0.046 0.000 1.014 306 S CB -0.400 62.829 63.200 0.047 0.000 0.836 306 S HN 0.430 nan 8.310 nan 0.000 0.466 307 I N 0.697 121.275 120.570 0.013 0.000 2.142 307 I HA -0.136 4.034 4.170 -0.000 0.000 0.240 307 I C 2.681 178.787 176.117 -0.017 0.000 1.078 307 I CA 1.327 62.626 61.300 -0.002 0.000 1.343 307 I CB -0.822 37.177 38.000 -0.002 0.000 1.046 307 I HN 0.366 nan 8.210 nan 0.000 0.405 308 G N -0.091 108.697 108.800 -0.019 0.000 2.403 308 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.216 308 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.216 308 G C 1.655 176.520 174.900 -0.057 0.000 1.154 308 G CA 1.108 46.183 45.100 -0.042 0.000 0.784 308 G HN 0.270 nan 8.290 nan 0.000 0.538 309 T N 1.562 116.099 114.554 -0.029 0.000 2.746 309 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 309 T C 2.252 176.924 174.700 -0.047 0.000 1.039 309 T CA 0.515 62.600 62.100 -0.024 0.000 1.142 309 T CB -0.117 68.772 68.868 0.034 0.000 0.866 309 T HN -0.012 nan 8.240 nan 0.000 0.444 310 L N 0.927 122.139 121.223 -0.017 0.000 2.141 310 L HA 0.081 4.421 4.340 -0.000 0.000 0.209 310 L C 2.863 179.761 176.870 0.047 0.000 1.094 310 L CA 1.441 56.298 54.840 0.027 0.000 0.763 310 L CB -1.568 40.534 42.059 0.071 0.000 0.908 310 L HN 0.251 nan 8.230 nan 0.000 0.437 311 A N -0.982 121.813 122.820 -0.040 0.000 1.902 311 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 311 A C 2.555 180.019 177.584 -0.200 0.000 1.181 311 A CA 1.882 53.864 52.037 -0.091 0.000 0.623 311 A CB -0.457 18.483 19.000 -0.101 0.000 0.818 311 A HN 0.419 nan 8.150 nan 0.000 0.443 312 S N -0.130 115.389 115.700 -0.302 0.000 2.343 312 S HA -0.035 4.434 4.470 -0.000 0.000 0.219 312 S C 2.399 176.415 174.600 -0.973 0.000 1.033 312 S CA 1.244 59.024 58.200 -0.699 0.000 1.014 312 S CB -0.624 62.257 63.200 -0.532 0.000 0.915 312 S HN 0.819 nan 8.310 nan 0.000 0.435 313 A N 1.197 123.731 122.820 -0.476 0.000 1.927 313 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 313 A C 1.785 179.229 177.584 -0.233 0.000 1.185 313 A CA 2.191 54.069 52.037 -0.265 0.000 0.639 313 A CB -1.111 17.804 19.000 -0.141 0.000 0.820 313 A HN 0.613 nan 8.150 nan 0.000 0.451 314 H N -0.982 117.965 119.070 -0.206 0.000 2.456 314 H HA 0.092 4.648 4.556 -0.000 0.000 0.296 314 H C 2.316 177.569 175.328 -0.126 0.000 1.079 314 H CA 1.412 57.383 56.048 -0.129 0.000 1.322 314 H CB 0.014 29.710 29.762 -0.110 0.000 1.388 314 H HN 0.556 nan 8.280 nan 0.000 0.538 315 A N -0.002 122.742 122.820 -0.126 0.000 1.903 315 A HA -0.051 4.269 4.320 -0.000 0.000 0.213 315 A C 1.502 179.115 177.584 0.049 0.000 1.185 315 A CA 0.720 52.704 52.037 -0.088 0.000 0.628 315 A CB -0.440 18.445 19.000 -0.192 0.000 0.830 315 A HN 0.282 nan 8.150 nan 0.000 0.446 316 F N 0.490 120.439 119.950 -0.001 0.000 2.333 316 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 316 F C 1.907 177.694 175.800 -0.022 0.000 1.083 316 F CA -0.079 57.912 58.000 -0.014 0.000 1.395 316 F CB -0.917 38.063 39.000 -0.033 0.000 1.056 316 F HN 0.108 nan 8.300 nan 0.000 0.529 317 L N -0.101 121.193 121.223 0.118 0.000 2.201 317 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 317 L C 2.432 179.331 176.870 0.049 0.000 1.105 317 L CA 1.826 56.692 54.840 0.043 0.000 0.775 317 L CB -0.952 41.085 42.059 -0.038 0.000 0.913 317 L HN 0.281 nan 8.230 nan 0.000 0.440 318 T N -2.916 111.678 114.554 0.066 0.000 3.088 318 T HA 0.018 4.368 4.350 -0.000 0.000 0.259 318 T C 0.787 175.524 174.700 0.062 0.000 1.122 318 T CA -0.258 61.876 62.100 0.057 0.000 1.095 318 T CB -0.143 68.759 68.868 0.056 0.000 0.930 318 T HN -0.122 nan 8.240 nan 0.000 0.508 319 L N 2.833 124.107 121.223 0.084 0.000 2.462 319 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 319 L C 1.758 178.651 176.870 0.038 0.000 1.166 319 L CA -0.062 54.820 54.840 0.070 0.000 0.880 319 L CB 0.283 42.394 42.059 0.086 0.000 1.142 319 L HN 0.248 nan 8.230 nan 0.000 0.473 320 R N 2.515 123.032 120.500 0.027 0.000 2.096 320 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 320 R C 0.397 176.696 176.300 -0.002 0.000 1.139 320 R CA 1.552 57.659 56.100 0.011 0.000 0.952 320 R CB 0.269 30.574 30.300 0.008 0.000 0.854 320 R HN 0.768 nan 8.270 nan 0.000 0.436 321 Q N -0.833 118.963 119.800 -0.006 0.000 2.391 321 Q HA 0.310 4.650 4.340 -0.000 0.000 0.279 321 Q C -1.946 174.036 176.000 -0.032 0.000 1.028 321 Q CA -0.603 55.183 55.803 -0.029 0.000 0.836 321 Q CB 1.877 30.587 28.738 -0.046 0.000 1.414 321 Q HN 0.230 nan 8.270 nan 0.000 0.397 322 L N 3.416 124.609 121.223 -0.050 0.000 2.529 322 L HA 0.288 4.628 4.340 -0.000 0.000 0.246 322 L C 0.892 177.714 176.870 -0.080 0.000 1.394 322 L CA -0.156 54.657 54.840 -0.045 0.000 0.906 322 L CB 1.281 43.301 42.059 -0.064 0.000 1.170 322 L HN 0.827 nan 8.230 nan 0.000 0.501 323 T N -0.722 113.729 114.554 -0.171 0.000 2.718 323 T HA -0.255 4.095 4.350 -0.000 0.000 0.266 323 T C 0.740 175.049 174.700 -0.651 0.000 1.033 323 T CA 2.247 64.060 62.100 -0.477 0.000 1.151 323 T CB -0.223 68.251 68.868 -0.656 0.000 0.853 323 T HN 0.564 nan 8.240 nan 0.000 0.466 324 W N 1.117 122.461 121.300 0.073 0.000 2.966 324 W HA 0.517 5.177 4.660 -0.000 0.000 0.406 324 W C 1.429 178.097 176.519 0.248 0.000 1.027 324 W CA -0.244 57.181 57.345 0.133 0.000 1.930 324 W CB -0.299 29.216 29.460 0.091 0.000 1.144 324 W HN 0.559 nan 8.180 nan 0.000 0.626 325 G N 1.433 110.361 108.800 0.214 0.000 2.564 325 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.273 325 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.273 325 G C 0.140 175.006 174.900 -0.058 0.000 1.242 325 G CA 0.629 45.790 45.100 0.102 0.000 0.951 325 G HN 0.454 nan 8.290 nan 0.000 0.564 326 T N -2.666 111.809 114.554 -0.133 0.000 2.865 326 T HA 0.713 5.063 4.350 -0.000 0.000 0.294 326 T C 0.049 174.625 174.700 -0.207 0.000 1.119 326 T CA 0.452 62.303 62.100 -0.416 0.000 1.007 326 T CB 2.073 70.832 68.868 -0.180 0.000 1.225 326 T HN 1.482 nan 8.240 nan 0.000 0.515 327 E N 1.116 121.163 120.200 -0.255 0.000 3.157 327 E HA 0.296 4.646 4.350 -0.000 0.000 0.203 327 E C -0.161 176.399 176.600 -0.066 0.000 0.982 327 E CA -0.530 55.921 56.400 0.086 0.000 1.217 327 E CB -0.021 29.777 29.700 0.163 0.000 1.123 327 E HN 0.494 nan 8.360 nan 0.000 0.457 328 L N 2.435 123.695 121.223 0.061 0.000 2.416 328 L HA 0.181 4.520 4.340 -0.000 0.000 0.243 328 L C 0.023 177.050 176.870 0.262 0.000 1.373 328 L CA -0.225 54.661 54.840 0.078 0.000 1.227 328 L CB -0.646 41.508 42.059 0.158 0.000 1.428 328 L HN 0.441 nan 8.230 nan 0.000 0.425 329 F N -2.579 117.511 119.950 0.234 0.000 2.678 329 F HA 0.395 4.922 4.527 -0.000 0.000 0.305 329 F C 1.777 177.704 175.800 0.210 0.000 1.090 329 F CA -0.397 57.755 58.000 0.254 0.000 1.272 329 F CB -0.808 38.393 39.000 0.336 0.000 1.060 329 F HN 0.124 nan 8.300 nan 0.000 0.576 330 G N 2.469 111.237 108.800 -0.052 0.000 2.624 330 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.221 330 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.221 330 G C -0.630 174.364 174.900 0.156 0.000 1.169 330 G CA 1.482 46.586 45.100 0.007 0.000 0.771 330 G HN 0.333 nan 8.290 nan 0.000 0.598 331 P HA -0.003 nan 4.420 nan 0.000 0.220 331 P C 1.776 179.195 177.300 0.197 0.000 1.148 331 P CA 0.632 63.852 63.100 0.200 0.000 0.803 331 P CB -0.133 31.726 31.700 0.265 0.000 0.782 332 L N -2.035 119.315 121.223 0.211 0.000 2.551 332 L HA -0.065 4.275 4.340 -0.000 0.000 0.228 332 L C 1.707 178.724 176.870 0.246 0.000 1.153 332 L CA 0.455 55.386 54.840 0.152 0.000 0.851 332 L CB -0.599 41.468 42.059 0.013 0.000 0.959 332 L HN -0.024 nan 8.230 nan 0.000 0.451 333 L N -0.537 120.850 121.223 0.273 0.000 2.446 333 L HA 0.158 4.498 4.340 -0.000 0.000 0.219 333 L C 0.697 177.638 176.870 0.118 0.000 1.116 333 L CA 0.883 55.860 54.840 0.227 0.000 0.844 333 L CB -0.299 41.882 42.059 0.203 0.000 0.970 333 L HN 0.101 nan 8.230 nan 0.000 0.457 334 L N -1.056 120.220 121.223 0.087 0.000 2.325 334 L HA 0.278 4.618 4.340 -0.000 0.000 0.279 334 L C 1.477 178.358 176.870 0.018 0.000 1.054 334 L CA -0.092 54.760 54.840 0.021 0.000 0.804 334 L CB 1.275 43.327 42.059 -0.013 0.000 1.200 334 L HN 0.023 nan 8.230 nan 0.000 0.436 335 T N -2.351 112.194 114.554 -0.015 0.000 3.107 335 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 335 T C 0.362 175.051 174.700 -0.017 0.000 1.096 335 T CA 0.081 62.182 62.100 0.001 0.000 1.012 335 T CB 0.101 68.975 68.868 0.010 0.000 0.977 335 T HN 0.582 nan 8.240 nan 0.000 0.527 336 E N -0.006 120.142 120.200 -0.085 0.000 2.343 336 E HA 0.458 4.808 4.350 -0.000 0.000 0.278 336 E C -1.292 175.233 176.600 -0.125 0.000 0.910 336 E CA -0.634 55.703 56.400 -0.106 0.000 0.757 336 E CB 1.858 31.401 29.700 -0.262 0.000 1.218 336 E HN 0.220 nan 8.360 nan 0.000 0.435 337 E N 2.193 122.380 120.200 -0.021 0.000 2.320 337 E HA 0.338 4.688 4.350 -0.000 0.000 0.264 337 E C 0.087 176.722 176.600 0.058 0.000 0.923 337 E CA -0.644 55.758 56.400 0.003 0.000 0.796 337 E CB 1.697 31.418 29.700 0.035 0.000 1.262 337 E HN 0.553 nan 8.360 nan 0.000 0.428 338 I N -1.615 118.989 120.570 0.057 0.000 3.941 338 I HA 0.140 4.310 4.170 -0.000 0.000 0.335 338 I C 0.207 176.363 176.117 0.064 0.000 1.402 338 I CA -0.352 61.003 61.300 0.091 0.000 1.112 338 I CB 0.423 38.478 38.000 0.092 0.000 1.043 338 I HN 0.080 nan 8.210 nan 0.000 0.395 339 V N -2.503 117.443 119.914 0.052 0.000 2.960 339 V HA 0.596 4.715 4.120 -0.000 0.000 0.315 339 V C 0.539 176.659 176.094 0.043 0.000 1.087 339 V CA -0.607 61.718 62.300 0.041 0.000 0.982 339 V CB 1.573 33.415 31.823 0.032 0.000 1.039 339 V HN 0.089 nan 8.190 nan 0.000 0.437 340 N N 0.654 119.375 118.700 0.035 0.000 2.207 340 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 340 N C 0.167 175.695 175.510 0.031 0.000 1.020 340 N CA 0.764 53.834 53.050 0.033 0.000 0.858 340 N CB 0.028 38.531 38.487 0.026 0.000 0.991 340 N HN 0.834 nan 8.380 nan 0.000 0.427 341 E N 2.488 122.704 120.200 0.026 0.000 2.265 341 E HA 0.162 4.512 4.350 -0.000 0.000 0.272 341 E C -2.169 174.448 176.600 0.029 0.000 1.067 341 E CA -1.380 55.034 56.400 0.023 0.000 0.900 341 E CB 0.426 30.136 29.700 0.017 0.000 1.017 341 E HN 0.268 nan 8.360 nan 0.000 0.431 342 P HA 0.163 nan 4.420 nan 0.000 0.280 342 P C -2.392 174.931 177.300 0.039 0.000 1.244 342 P CA -1.546 61.584 63.100 0.050 0.000 0.784 342 P CB 0.097 31.829 31.700 0.052 0.000 0.913 343 P HA 0.070 nan 4.420 nan 0.000 0.266 343 P C -0.439 176.810 177.300 -0.085 0.000 1.195 343 P CA 0.185 63.265 63.100 -0.034 0.000 0.768 343 P CB 0.647 32.394 31.700 0.077 0.000 0.838 344 Q N 1.844 121.514 119.800 -0.216 0.000 2.503 344 Q HA 0.227 4.566 4.340 -0.000 0.000 0.227 344 Q C -1.127 174.780 176.000 -0.155 0.000 1.109 344 Q CA -0.282 55.455 55.803 -0.111 0.000 0.922 344 Q CB -0.091 28.628 28.738 -0.031 0.000 1.249 344 Q HN 0.401 nan 8.270 nan 0.000 0.530 345 Y N 2.542 122.891 120.300 0.081 0.000 2.417 345 Y HA 0.376 4.926 4.550 -0.000 0.000 0.336 345 Y C -0.006 175.899 175.900 0.007 0.000 0.961 345 Y CA -0.660 57.462 58.100 0.037 0.000 1.215 345 Y CB 0.954 39.394 38.460 -0.033 0.000 1.120 345 Y HN 0.389 nan 8.280 nan 0.000 0.499 346 R N 3.007 123.641 120.500 0.224 0.000 2.522 346 R HA 0.325 4.665 4.340 -0.000 0.000 0.283 346 R C -1.638 174.689 176.300 0.046 0.000 1.074 346 R CA -0.558 55.597 56.100 0.091 0.000 0.925 346 R CB 1.160 31.470 30.300 0.017 0.000 1.205 346 R HN 0.659 nan 8.270 nan 0.000 0.436 347 D N 5.396 125.626 120.400 -0.285 0.000 2.760 347 D HA -0.191 4.449 4.640 -0.000 0.000 0.244 347 D C -0.430 175.563 176.300 -0.512 0.000 1.123 347 D CA 1.619 55.267 54.000 -0.586 0.000 0.719 347 D CB -0.948 39.728 40.800 -0.205 0.000 1.045 347 D HN 0.718 nan 8.370 nan 0.000 0.426 348 F N -2.790 117.136 119.950 -0.040 0.000 2.973 348 F HA -0.346 4.181 4.527 -0.000 0.000 0.299 348 F C 1.080 176.875 175.800 -0.007 0.000 0.737 348 F CA 1.210 59.184 58.000 -0.043 0.000 1.151 348 F CB -2.027 36.960 39.000 -0.022 0.000 1.440 348 F HN 0.318 nan 8.300 nan 0.000 0.367 349 Q N -0.310 119.510 119.800 0.033 0.000 2.544 349 Q HA 0.763 5.103 4.340 -0.000 0.000 0.291 349 Q C -1.239 174.643 176.000 -0.196 0.000 1.068 349 Q CA -1.450 54.301 55.803 -0.087 0.000 0.785 349 Q CB 2.750 31.322 28.738 -0.276 0.000 1.481 349 Q HN 0.104 nan 8.270 nan 0.000 0.430 350 L N 1.314 122.379 121.223 -0.263 0.000 2.287 350 L HA 0.388 4.728 4.340 -0.000 0.000 0.287 350 L C -1.393 175.210 176.870 -0.445 0.000 1.022 350 L CA -0.187 54.425 54.840 -0.379 0.000 0.814 350 L CB 0.699 42.614 42.059 -0.240 0.000 1.217 350 L HN 0.530 nan 8.230 nan 0.000 0.420 351 H N 5.650 124.604 119.070 -0.193 0.000 2.517 351 H HA 0.531 5.087 4.556 -0.000 0.000 0.317 351 H C -0.498 174.740 175.328 -0.151 0.000 1.080 351 H CA -0.540 55.427 56.048 -0.135 0.000 1.301 351 H CB 0.998 30.695 29.762 -0.109 0.000 1.425 351 H HN 0.381 nan 8.280 nan 0.000 0.471 352 I N 5.195 125.732 120.570 -0.056 0.000 2.339 352 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 352 I C -2.215 173.856 176.117 -0.076 0.000 0.994 352 I CA -3.090 58.135 61.300 -0.125 0.000 1.191 352 I CB 0.722 38.552 38.000 -0.283 0.000 1.343 352 I HN 0.409 nan 8.210 nan 0.000 0.458 353 P HA 0.275 nan 4.420 nan 0.000 0.270 353 P C 0.447 177.759 177.300 0.020 0.000 1.223 353 P CA -0.328 62.771 63.100 -0.001 0.000 0.785 353 P CB 0.857 32.567 31.700 0.015 0.000 0.923 354 R N -0.370 120.145 120.500 0.025 0.000 2.310 354 R HA 0.058 4.398 4.340 -0.000 0.000 0.202 354 R C 0.607 176.941 176.300 0.057 0.000 0.933 354 R CA 0.197 56.323 56.100 0.043 0.000 1.054 354 R CB -0.694 29.619 30.300 0.022 0.000 0.985 354 R HN 0.651 nan 8.270 nan 0.000 0.489 355 T N -0.452 114.132 114.554 0.051 0.000 2.854 355 T HA 0.046 4.396 4.350 -0.000 0.000 0.336 355 T C -2.285 172.438 174.700 0.037 0.000 1.095 355 T CA -1.293 60.829 62.100 0.037 0.000 1.118 355 T CB 0.541 69.427 68.868 0.029 0.000 1.025 355 T HN -0.133 nan 8.240 nan 0.000 0.549 356 P HA 0.419 nan 4.420 nan 0.000 0.272 356 P C 1.150 178.420 177.300 -0.050 0.000 1.223 356 P CA 1.004 64.094 63.100 -0.016 0.000 0.784 356 P CB 0.066 31.756 31.700 -0.016 0.000 0.923 357 G N 1.380 110.122 108.800 -0.097 0.000 2.547 357 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.271 357 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.271 357 G C 0.289 175.023 174.900 -0.277 0.000 1.209 357 G CA -0.142 44.865 45.100 -0.154 0.000 0.959 357 G HN 0.451 nan 8.290 nan 0.000 0.563 358 L N 2.442 123.533 121.223 -0.220 0.000 2.492 358 L HA 0.346 4.685 4.340 -0.000 0.000 0.223 358 L C 2.646 179.515 176.870 -0.003 0.000 1.132 358 L CA 2.269 56.988 54.840 -0.201 0.000 0.850 358 L CB -1.090 40.907 42.059 -0.103 0.000 0.966 358 L HN 2.334 nan 8.230 nan 0.000 0.454 359 G N -0.183 108.610 108.800 -0.012 0.000 2.147 359 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 359 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 359 G C 0.118 175.029 174.900 0.018 0.000 1.005 359 G CA 0.409 45.525 45.100 0.026 0.000 0.713 359 G HN 0.306 nan 8.290 nan 0.000 0.515 360 L N 0.190 121.416 121.223 0.004 0.000 2.354 360 L HA 0.875 5.214 4.340 -0.000 0.000 0.264 360 L C 0.379 177.251 176.870 0.003 0.000 1.008 360 L CA -0.547 54.298 54.840 0.007 0.000 0.819 360 L CB 2.557 44.621 42.059 0.009 0.000 1.339 360 L HN 0.323 nan 8.230 nan 0.000 0.420 361 T N -0.827 113.733 114.554 0.009 0.000 2.900 361 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 361 T C -0.549 174.161 174.700 0.016 0.000 1.044 361 T CA -0.823 61.283 62.100 0.009 0.000 0.995 361 T CB 1.444 70.317 68.868 0.009 0.000 1.072 361 T HN 0.303 nan 8.240 nan 0.000 0.473 362 L N 2.222 123.455 121.223 0.017 0.000 2.416 362 L HA 0.309 4.649 4.340 -0.000 0.000 0.272 362 L C 0.546 177.434 176.870 0.030 0.000 1.161 362 L CA -0.442 54.413 54.840 0.025 0.000 0.845 362 L CB 0.401 42.474 42.059 0.023 0.000 1.119 362 L HN 0.762 nan 8.230 nan 0.000 0.464 363 D N 3.141 123.566 120.400 0.042 0.000 2.522 363 D HA 0.003 4.643 4.640 -0.000 0.000 0.218 363 D C 1.067 177.394 176.300 0.046 0.000 1.149 363 D CA -0.186 53.842 54.000 0.046 0.000 0.981 363 D CB 0.551 41.390 40.800 0.064 0.000 1.041 363 D HN 0.406 nan 8.370 nan 0.000 0.518 364 E N 2.055 122.273 120.200 0.030 0.000 2.136 364 E HA -0.299 4.051 4.350 -0.000 0.000 0.208 364 E C 1.698 178.308 176.600 0.017 0.000 1.035 364 E CA 1.657 58.070 56.400 0.022 0.000 0.838 364 E CB -0.354 29.353 29.700 0.013 0.000 0.748 364 E HN 0.635 nan 8.360 nan 0.000 0.459 365 A N 1.447 124.275 122.820 0.013 0.000 1.858 365 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 365 A C 2.221 179.795 177.584 -0.018 0.000 1.190 365 A CA 1.543 53.576 52.037 -0.007 0.000 0.617 365 A CB -0.442 18.554 19.000 -0.006 0.000 0.827 365 A HN 0.106 nan 8.150 nan 0.000 0.443 366 R N -1.229 119.289 120.500 0.031 0.000 2.096 366 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 366 R C 2.103 178.478 176.300 0.124 0.000 1.127 366 R CA 1.318 57.470 56.100 0.086 0.000 0.968 366 R CB -0.701 29.743 30.300 0.239 0.000 0.861 366 R HN 0.487 nan 8.270 nan 0.000 0.440 367 L N 1.028 122.313 121.223 0.104 0.000 1.990 367 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 367 L C 2.298 179.200 176.870 0.053 0.000 1.072 367 L CA 2.167 57.066 54.840 0.098 0.000 0.755 367 L CB -0.897 41.198 42.059 0.061 0.000 0.889 367 L HN 0.135 nan 8.230 nan 0.000 0.432 368 A N -0.737 122.087 122.820 0.006 0.000 1.940 368 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 368 A C 2.371 179.910 177.584 -0.075 0.000 1.176 368 A CA 1.557 53.580 52.037 -0.024 0.000 0.631 368 A CB -0.502 18.480 19.000 -0.030 0.000 0.814 368 A HN 0.493 nan 8.150 nan 0.000 0.446 369 R N -1.349 119.055 120.500 -0.159 0.000 2.075 369 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 369 R C 1.689 177.751 176.300 -0.396 0.000 1.140 369 R CA 1.783 57.657 56.100 -0.377 0.000 0.928 369 R CB -0.707 29.173 30.300 -0.701 0.000 0.834 369 R HN 0.597 nan 8.270 nan 0.000 0.429 370 F N 0.897 120.854 119.950 0.011 0.000 2.743 370 F HA 0.244 4.771 4.527 -0.000 0.000 0.297 370 F C 1.181 176.987 175.800 0.010 0.000 1.131 370 F CA -0.308 57.699 58.000 0.011 0.000 1.426 370 F CB -0.367 38.642 39.000 0.014 0.000 1.116 370 F HN -0.050 nan 8.300 nan 0.000 0.583 371 A N 2.096 124.997 122.820 0.135 0.000 2.548 371 A HA 0.226 4.546 4.320 -0.000 0.000 0.247 371 A C 0.915 178.538 177.584 0.064 0.000 1.067 371 A CA -0.410 51.679 52.037 0.087 0.000 0.757 371 A CB -0.204 18.826 19.000 0.050 0.000 0.996 371 A HN 0.512 nan 8.150 nan 0.000 0.504 372 R N 0.000 120.538 120.500 0.063 0.000 2.786 372 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 372 R CA 0.000 56.128 56.100 0.047 0.000 0.921 372 R CB 0.000 30.326 30.300 0.044 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535