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 1m54_1_E DATA FIRST_RESID 47 DATA SEQUENCE DAPSRCTWQL GRPASESPHH HTAPAKSPKI LPDILKKIGD TPMVRINKIG DATA SEQUENCE KKFGLKCELL AKCEFFNAGG SVKDRISLRM IEDAERDGTL KPGDTIIEPT DATA SEQUENCE SGNTGIGLAL AAAVRGYRCI IVMPEKMSSE KVDVLRALGA EIVRTPTXXX DATA SEQUENCE XDSPESHVGV AWRLKNEIPN SHILDQYRNA SNPLAHYDTT ADEILQQCDG DATA SEQUENCE KLDMLVASVG TGGTITGIAR KLKEKCPGCR IIGVDPEGSI LAEPEELNQT DATA SEQUENCE EQTTYEVEGI GYDFIPTVLD RTVVDKWFKS NDEEAFTFAR MLIAQEGLLC DATA SEQUENCE GGSAGSTVAV AVKAAQELQE GQRCVVILPD SVRNYMTKFL SDRWMLQKGF DATA SEQUENCE L 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 47 D HA 0.000 nan 4.640 nan 0.000 0.175 47 D C 0.000 176.247 176.300 -0.089 0.000 2.045 47 D CA 0.000 53.916 54.000 -0.139 0.000 0.868 47 D CB 0.000 40.573 40.800 -0.379 0.000 0.688 48 A N 0.539 123.337 122.820 -0.036 0.000 2.377 48 A HA 0.317 4.637 4.320 -0.000 0.000 0.219 48 A C -2.087 175.495 177.584 -0.003 0.000 2.798 48 A CA -0.317 51.703 52.037 -0.029 0.000 1.596 48 A CB -0.462 18.517 19.000 -0.034 0.000 0.371 48 A HN 0.159 nan 8.150 nan 0.000 0.580 49 P HA -0.137 nan 4.420 nan 0.000 0.025 49 P C 0.366 177.692 177.300 0.042 0.000 0.500 49 P CA 1.816 64.937 63.100 0.034 0.000 1.034 49 P CB -0.812 30.906 31.700 0.030 0.000 1.864 50 S N 1.926 117.655 115.700 0.047 0.000 4.659 50 S HA -0.265 4.205 4.470 -0.000 0.000 0.563 50 S C 0.994 175.629 174.600 0.057 0.000 0.980 50 S CA 0.847 59.079 58.200 0.054 0.000 1.141 50 S CB 0.117 63.355 63.200 0.063 0.000 2.127 50 S HN 0.409 nan 8.310 nan 0.000 0.340 51 R N 2.922 123.454 120.500 0.053 0.000 2.507 51 R HA 0.234 4.574 4.340 -0.000 0.000 0.298 51 R C 0.883 177.222 176.300 0.064 0.000 0.999 51 R CA 0.012 56.141 56.100 0.049 0.000 1.082 51 R CB -0.216 30.103 30.300 0.031 0.000 1.246 51 R HN 0.664 nan 8.270 nan 0.000 0.553 52 C N 2.114 121.467 119.300 0.089 0.000 2.608 52 C HA -0.018 4.441 4.460 -0.000 0.000 0.407 52 C C 1.614 176.681 174.990 0.129 0.000 1.322 52 C CA 0.647 59.739 59.018 0.123 0.000 1.778 52 C CB 0.072 27.912 27.740 0.167 0.000 2.654 52 C HN 0.675 nan 8.230 nan 0.000 0.622 53 T N 2.706 117.331 114.554 0.119 0.000 3.316 53 T HA 0.237 4.587 4.350 -0.000 0.000 0.253 53 T C -0.643 174.120 174.700 0.105 0.000 0.995 53 T CA -0.375 61.777 62.100 0.086 0.000 1.031 53 T CB -0.274 68.611 68.868 0.029 0.000 1.125 53 T HN 0.837 nan 8.240 nan 0.000 0.539 54 W N 2.392 123.700 121.300 0.013 0.000 2.251 54 W HA 0.611 5.271 4.660 -0.000 0.000 0.329 54 W C -0.640 175.888 176.519 0.014 0.000 1.234 54 W CA -0.246 57.106 57.345 0.011 0.000 1.228 54 W CB 0.790 30.256 29.460 0.011 0.000 1.135 54 W HN 0.174 nan 8.180 nan 0.000 0.576 55 Q N 4.485 123.474 119.800 -1.352 0.000 2.418 55 Q HA 0.259 4.599 4.340 -0.000 0.000 0.282 55 Q C -1.368 173.810 176.000 -1.370 0.000 1.044 55 Q CA -1.249 53.750 55.803 -1.341 0.000 0.813 55 Q CB 2.013 30.423 28.738 -0.547 0.000 1.428 55 Q HN 0.673 nan 8.270 nan 0.000 0.402 56 L N 1.203 121.827 121.223 -0.999 0.000 2.490 56 L HA 0.302 4.642 4.340 -0.000 0.000 0.274 56 L C 1.301 178.012 176.870 -0.266 0.000 1.201 56 L CA 2.539 57.119 54.840 -0.433 0.000 0.869 56 L CB -0.026 41.930 42.059 -0.171 0.000 1.123 56 L HN 0.951 nan 8.230 nan 0.000 0.484 57 G N 3.209 111.931 108.800 -0.130 0.000 2.347 57 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.247 57 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.247 57 G C 0.760 175.598 174.900 -0.104 0.000 1.037 57 G CA 0.248 45.297 45.100 -0.085 0.000 0.622 57 G HN 0.683 nan 8.290 nan 0.000 0.521 58 R N 1.773 122.155 120.500 -0.196 0.000 2.485 58 R HA 0.135 4.475 4.340 -0.000 0.000 0.304 58 R C -2.152 174.105 176.300 -0.071 0.000 0.934 58 R CA -0.579 55.419 56.100 -0.169 0.000 1.102 58 R CB -0.220 29.903 30.300 -0.296 0.000 0.906 58 R HN 0.216 nan 8.270 nan 0.000 0.407 59 P HA -0.119 nan 4.420 nan 0.000 0.255 59 P C 0.208 177.524 177.300 0.027 0.000 1.161 59 P CA 0.511 63.609 63.100 -0.003 0.000 0.768 59 P CB 0.448 32.144 31.700 -0.007 0.000 0.746 60 A N 4.135 126.987 122.820 0.053 0.000 2.032 60 A HA -0.233 4.086 4.320 -0.000 0.000 0.221 60 A C 2.221 179.840 177.584 0.058 0.000 1.165 60 A CA 2.186 54.273 52.037 0.084 0.000 0.645 60 A CB -1.380 17.669 19.000 0.081 0.000 0.807 60 A HN 0.572 nan 8.150 nan 0.000 0.453 61 S N 0.387 116.111 115.700 0.039 0.000 2.419 61 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 61 S C 0.586 175.209 174.600 0.038 0.000 1.019 61 S CA 0.969 59.190 58.200 0.036 0.000 0.982 61 S CB -0.530 62.684 63.200 0.023 0.000 0.789 61 S HN 0.686 nan 8.310 nan 0.000 0.490 62 E N 1.844 122.064 120.200 0.032 0.000 1.932 62 E HA 0.486 4.836 4.350 -0.000 0.000 0.275 62 E C -0.700 175.923 176.600 0.038 0.000 1.159 62 E CA -0.247 56.164 56.400 0.019 0.000 0.905 62 E CB 0.425 30.126 29.700 0.001 0.000 1.059 62 E HN 0.267 nan 8.360 nan 0.000 0.400 63 S N 2.882 118.597 115.700 0.026 0.000 2.548 63 S HA 0.313 4.783 4.470 -0.000 0.000 0.278 63 S C -2.247 172.286 174.600 -0.113 0.000 1.150 63 S CA -1.033 57.171 58.200 0.006 0.000 0.907 63 S CB 1.319 64.659 63.200 0.234 0.000 1.108 63 S HN 0.362 nan 8.310 nan 0.000 0.459 64 P HA 0.275 nan 4.420 nan 0.000 0.267 64 P C -0.365 176.683 177.300 -0.419 0.000 1.289 64 P CA -0.034 62.864 63.100 -0.337 0.000 0.866 64 P CB 0.001 31.492 31.700 -0.348 0.000 1.309 65 H N 0.287 119.222 119.070 -0.225 0.000 2.551 65 H HA 0.206 4.761 4.556 -0.000 0.000 0.358 65 H C 0.507 175.543 175.328 -0.487 0.000 1.151 65 H CA 0.012 55.828 56.048 -0.388 0.000 1.374 65 H CB 0.500 29.966 29.762 -0.493 0.000 1.473 65 H HN 0.124 nan 8.280 nan 0.000 0.574 66 H N 2.715 121.716 119.070 -0.114 0.000 2.553 66 H HA 0.078 4.634 4.556 -0.000 0.000 0.222 66 H C 0.468 175.745 175.328 -0.084 0.000 1.779 66 H CA -0.298 55.709 56.048 -0.070 0.000 1.241 66 H CB -0.483 29.263 29.762 -0.027 0.000 1.647 66 H HN 0.487 nan 8.280 nan 0.000 0.523 67 H N 1.376 120.554 119.070 0.181 0.000 2.964 67 H HA 0.022 4.578 4.556 -0.000 0.000 0.368 67 H C 0.800 176.203 175.328 0.126 0.000 1.212 67 H CA 0.809 56.953 56.048 0.160 0.000 1.421 67 H CB 0.743 30.615 29.762 0.183 0.000 1.385 67 H HN 0.401 nan 8.280 nan 0.000 0.614 68 T N -2.090 112.598 114.554 0.224 0.000 2.923 68 T HA 0.621 4.971 4.350 -0.000 0.000 0.311 68 T C -0.315 174.444 174.700 0.097 0.000 1.183 68 T CA -0.919 61.258 62.100 0.129 0.000 1.020 68 T CB 1.829 70.747 68.868 0.083 0.000 1.165 68 T HN 0.779 nan 8.240 nan 0.000 0.482 69 A N 2.323 125.182 122.820 0.065 0.000 2.332 69 A HA 0.761 5.081 4.320 -0.000 0.000 0.258 69 A C -2.190 175.409 177.584 0.024 0.000 1.087 69 A CA -1.202 50.857 52.037 0.037 0.000 0.802 69 A CB -0.910 18.106 19.000 0.028 0.000 1.042 69 A HN 0.729 nan 8.150 nan 0.000 0.489 70 P HA 0.516 nan 4.420 nan 0.000 0.275 70 P C -0.784 176.519 177.300 0.004 0.000 1.266 70 P CA -0.063 63.040 63.100 0.005 0.000 0.793 70 P CB 0.735 32.431 31.700 -0.008 0.000 1.074 71 A N 0.051 122.873 122.820 0.002 0.000 2.427 71 A HA 0.538 4.858 4.320 -0.000 0.000 0.298 71 A C -0.415 177.167 177.584 -0.003 0.000 1.036 71 A CA -0.569 51.469 52.037 0.001 0.000 0.701 71 A CB 1.057 20.059 19.000 0.004 0.000 1.250 71 A HN 0.416 nan 8.150 nan 0.000 0.412 72 K N 0.249 120.645 120.400 -0.006 0.000 2.520 72 K HA 0.609 4.929 4.320 -0.000 0.000 0.256 72 K C 0.402 176.997 176.600 -0.010 0.000 1.033 72 K CA -0.308 55.972 56.287 -0.010 0.000 1.007 72 K CB 1.005 33.498 32.500 -0.013 0.000 1.330 72 K HN 0.652 nan 8.250 nan 0.000 0.507 73 S N 1.058 116.750 115.700 -0.013 0.000 2.525 73 S HA 0.440 4.910 4.470 -0.000 0.000 0.278 73 S C -2.206 172.387 174.600 -0.011 0.000 1.234 73 S CA -1.364 56.828 58.200 -0.013 0.000 1.058 73 S CB 0.593 63.782 63.200 -0.018 0.000 0.983 73 S HN 0.434 nan 8.310 nan 0.000 0.495 74 P HA 0.515 nan 4.420 nan 0.000 0.288 74 P C -0.012 177.283 177.300 -0.008 0.000 1.297 74 P CA -0.767 62.328 63.100 -0.008 0.000 0.864 74 P CB 1.149 32.845 31.700 -0.006 0.000 1.237 75 K N -0.507 119.889 120.400 -0.008 0.000 2.001 75 K HA 0.130 4.450 4.320 -0.000 0.000 0.208 75 K C 0.754 177.350 176.600 -0.006 0.000 1.048 75 K CA 1.033 57.316 56.287 -0.007 0.000 0.932 75 K CB -0.100 32.397 32.500 -0.007 0.000 0.715 75 K HN 0.370 nan 8.250 nan 0.000 0.437 76 I N 2.736 123.303 120.570 -0.005 0.000 2.339 76 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 76 I C -0.518 175.597 176.117 -0.004 0.000 0.994 76 I CA -0.724 60.573 61.300 -0.004 0.000 1.191 76 I CB 1.426 39.424 38.000 -0.004 0.000 1.343 76 I HN 0.041 nan 8.210 nan 0.000 0.458 77 L N 8.754 129.975 121.223 -0.003 0.000 2.367 77 L HA 0.218 4.558 4.340 -0.000 0.000 0.275 77 L C -0.942 175.927 176.870 -0.003 0.000 1.129 77 L CA -0.957 53.882 54.840 -0.002 0.000 0.839 77 L CB 0.487 42.546 42.059 0.000 0.000 1.133 77 L HN 0.436 nan 8.230 nan 0.000 0.453 78 P HA -0.060 nan 4.420 nan 0.000 0.218 78 P C -0.202 177.093 177.300 -0.008 0.000 1.152 78 P CA 0.741 63.837 63.100 -0.006 0.000 0.826 78 P CB 0.420 32.115 31.700 -0.007 0.000 0.790 79 D N -2.554 117.841 120.400 -0.007 0.000 2.579 79 D HA 0.192 4.832 4.640 -0.000 0.000 0.257 79 D C 0.542 176.840 176.300 -0.003 0.000 1.176 79 D CA -0.859 53.136 54.000 -0.009 0.000 0.914 79 D CB 0.399 41.190 40.800 -0.016 0.000 1.431 79 D HN -0.223 nan 8.370 nan 0.000 0.454 80 I N 0.334 120.903 120.570 -0.001 0.000 2.614 80 I HA 0.021 4.191 4.170 -0.000 0.000 0.258 80 I C 1.185 177.308 176.117 0.009 0.000 1.189 80 I CA 1.004 62.308 61.300 0.007 0.000 1.462 80 I CB -0.316 37.691 38.000 0.010 0.000 1.092 80 I HN 0.563 nan 8.210 nan 0.000 0.442 81 L N 0.103 121.328 121.223 0.004 0.000 2.549 81 L HA -0.074 4.266 4.340 -0.000 0.000 0.229 81 L C 1.879 178.754 176.870 0.007 0.000 1.158 81 L CA 0.522 55.365 54.840 0.006 0.000 0.842 81 L CB -0.859 41.200 42.059 0.000 0.000 0.952 81 L HN 0.111 nan 8.230 nan 0.000 0.452 82 K N 0.696 121.100 120.400 0.006 0.000 2.487 82 K HA -0.037 4.283 4.320 -0.000 0.000 0.192 82 K C 1.124 177.730 176.600 0.009 0.000 1.027 82 K CA 0.323 56.613 56.287 0.005 0.000 1.054 82 K CB 0.217 32.718 32.500 0.002 0.000 0.824 82 K HN -0.032 nan 8.250 nan 0.000 0.510 83 K N 1.420 121.830 120.400 0.016 0.000 2.675 83 K HA 0.226 4.546 4.320 -0.000 0.000 0.213 83 K C -0.430 176.188 176.600 0.031 0.000 1.074 83 K CA -0.035 56.266 56.287 0.023 0.000 1.172 83 K CB -0.146 32.372 32.500 0.030 0.000 0.927 83 K HN -0.038 nan 8.250 nan 0.000 0.471 84 I N 0.903 121.488 120.570 0.025 0.000 2.390 84 I HA 0.543 4.713 4.170 -0.000 0.000 0.283 84 I C 0.125 176.257 176.117 0.025 0.000 1.016 84 I CA -0.694 60.623 61.300 0.029 0.000 1.151 84 I CB 1.244 39.260 38.000 0.025 0.000 1.293 84 I HN 0.318 nan 8.210 nan 0.000 0.458 85 G N 4.284 113.100 108.800 0.026 0.000 2.459 85 G HA2 0.027 3.987 3.960 -0.000 0.000 0.685 85 G HA3 0.027 3.987 3.960 -0.000 0.000 0.685 85 G C -0.215 174.688 174.900 0.005 0.000 1.303 85 G CA -0.315 44.796 45.100 0.019 0.000 0.907 85 G HN 0.723 nan 8.290 nan 0.000 0.632 86 D N -1.189 119.208 120.400 -0.005 0.000 3.017 86 D HA -0.144 4.495 4.640 -0.000 0.000 0.220 86 D C 0.977 177.260 176.300 -0.029 0.000 1.141 86 D CA 2.820 56.808 54.000 -0.019 0.000 0.848 86 D CB -1.601 39.187 40.800 -0.020 0.000 1.102 86 D HN 1.922 nan 8.370 nan 0.000 0.427 87 T N -0.688 113.854 114.554 -0.021 0.000 2.933 87 T HA 0.315 4.665 4.350 -0.000 0.000 0.306 87 T C -1.981 172.686 174.700 -0.055 0.000 1.045 87 T CA -0.865 61.219 62.100 -0.028 0.000 1.143 87 T CB 1.324 70.172 68.868 -0.033 0.000 1.003 87 T HN 0.150 nan 8.240 nan 0.000 0.540 88 P HA 0.136 nan 4.420 nan 0.000 0.268 88 P C -0.719 176.542 177.300 -0.066 0.000 1.205 88 P CA -0.512 62.529 63.100 -0.098 0.000 0.771 88 P CB 0.490 32.081 31.700 -0.181 0.000 0.858 89 M N 4.648 124.217 119.600 -0.053 0.000 2.080 89 M HA 0.231 4.711 4.480 -0.000 0.000 0.350 89 M C -1.143 175.146 176.300 -0.020 0.000 1.143 89 M CA -0.509 54.769 55.300 -0.036 0.000 1.064 89 M CB 0.044 32.624 32.600 -0.033 0.000 1.429 89 M HN 0.027 nan 8.290 nan 0.000 0.418 90 V N 4.594 124.508 119.914 0.000 0.000 2.716 90 V HA 0.557 4.677 4.120 -0.000 0.000 0.304 90 V C 0.053 176.166 176.094 0.032 0.000 1.053 90 V CA -0.860 61.456 62.300 0.026 0.000 0.984 90 V CB 1.959 33.825 31.823 0.073 0.000 1.021 90 V HN 0.767 nan 8.190 nan 0.000 0.467 91 R N 2.849 123.370 120.500 0.034 0.000 2.486 91 R HA 0.483 4.823 4.340 -0.000 0.000 0.286 91 R C -0.923 175.405 176.300 0.048 0.000 0.999 91 R CA -0.670 55.450 56.100 0.033 0.000 0.993 91 R CB 0.914 31.228 30.300 0.024 0.000 1.084 91 R HN 0.554 nan 8.270 nan 0.000 0.487 92 I N 5.386 125.985 120.570 0.048 0.000 2.316 92 I HA 0.070 4.239 4.170 -0.000 0.000 0.286 92 I C 0.524 176.674 176.117 0.055 0.000 1.107 92 I CA -0.305 61.031 61.300 0.059 0.000 1.219 92 I CB 0.109 38.147 38.000 0.064 0.000 1.455 92 I HN 0.724 nan 8.210 nan 0.000 0.498 93 N N 5.367 124.096 118.700 0.049 0.000 2.022 93 N HA -0.118 4.622 4.740 -0.000 0.000 0.194 93 N C 0.716 176.255 175.510 0.047 0.000 1.057 93 N CA 1.303 54.378 53.050 0.042 0.000 0.849 93 N CB 0.136 38.643 38.487 0.034 0.000 1.044 93 N HN 0.543 nan 8.380 nan 0.000 0.424 94 K N 0.629 121.057 120.400 0.048 0.000 2.209 94 K HA 0.311 4.631 4.320 -0.000 0.000 0.238 94 K C 0.846 177.493 176.600 0.078 0.000 1.028 94 K CA -0.684 55.634 56.287 0.051 0.000 0.935 94 K CB 1.413 33.934 32.500 0.035 0.000 1.162 94 K HN 0.058 nan 8.250 nan 0.000 0.485 95 I N -0.297 120.333 120.570 0.101 0.000 5.699 95 I HA -0.330 3.840 4.170 -0.000 0.000 0.195 95 I C 0.477 176.725 176.117 0.218 0.000 1.815 95 I CA 1.141 62.541 61.300 0.167 0.000 2.028 95 I CB -0.716 37.356 38.000 0.119 0.000 3.376 95 I HN 1.008 nan 8.210 nan 0.000 0.177 96 G N -0.022 108.887 108.800 0.180 0.000 2.834 96 G HA2 0.041 4.001 3.960 -0.000 0.000 0.204 96 G HA3 0.041 4.001 3.960 -0.000 0.000 0.204 96 G C 1.149 176.179 174.900 0.217 0.000 1.176 96 G CA 0.319 45.527 45.100 0.180 0.000 0.818 96 G HN 0.180 nan 8.290 nan 0.000 0.638 97 K N 1.212 121.693 120.400 0.135 0.000 2.127 97 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 97 K C 2.249 178.897 176.600 0.081 0.000 1.047 97 K CA 1.607 57.950 56.287 0.094 0.000 0.927 97 K CB -0.220 32.313 32.500 0.054 0.000 0.716 97 K HN 0.367 nan 8.250 nan 0.000 0.450 98 K N 0.819 121.267 120.400 0.079 0.000 2.218 98 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 98 K C 1.207 177.656 176.600 -0.250 0.000 1.046 98 K CA 1.326 57.560 56.287 -0.088 0.000 0.933 98 K CB -0.343 32.077 32.500 -0.133 0.000 0.728 98 K HN 0.056 nan 8.250 nan 0.000 0.454 99 F N 0.960 120.933 119.950 0.037 0.000 2.660 99 F HA 0.364 4.891 4.527 -0.000 0.000 0.297 99 F C 0.786 176.606 175.800 0.034 0.000 1.132 99 F CA -0.113 57.916 58.000 0.048 0.000 1.372 99 F CB 0.025 39.076 39.000 0.084 0.000 1.003 99 F HN 0.176 nan 8.300 nan 0.000 0.524 100 G N 2.160 111.020 108.800 0.101 0.000 2.269 100 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.237 100 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.237 100 G C -1.034 173.923 174.900 0.094 0.000 0.761 100 G CA -0.229 44.914 45.100 0.071 0.000 1.141 100 G HN 0.276 nan 8.290 nan 0.000 0.319 101 L N 1.119 122.394 121.223 0.088 0.000 2.439 101 L HA 0.592 4.932 4.340 -0.000 0.000 0.270 101 L C 0.918 177.819 176.870 0.050 0.000 0.972 101 L CA -0.776 54.108 54.840 0.073 0.000 0.836 101 L CB 1.412 43.523 42.059 0.086 0.000 1.255 101 L HN 0.373 nan 8.230 nan 0.000 0.404 102 K N 2.342 122.765 120.400 0.039 0.000 2.001 102 K HA -0.017 4.302 4.320 -0.000 0.000 0.208 102 K C 0.774 177.389 176.600 0.026 0.000 1.048 102 K CA 1.592 57.897 56.287 0.029 0.000 0.932 102 K CB -0.290 32.225 32.500 0.025 0.000 0.715 102 K HN 0.805 nan 8.250 nan 0.000 0.437 103 C N 2.410 121.724 119.300 0.023 0.000 2.563 103 C HA 0.008 4.468 4.460 -0.000 0.000 0.411 103 C C 1.756 176.757 174.990 0.019 0.000 1.386 103 C CA -0.626 58.402 59.018 0.017 0.000 1.703 103 C CB 0.318 28.066 27.740 0.013 0.000 2.596 103 C HN 0.699 nan 8.230 nan 0.000 0.605 104 E N 2.562 122.771 120.200 0.015 0.000 2.233 104 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 104 E C 1.087 177.696 176.600 0.016 0.000 1.004 104 E CA 1.303 57.712 56.400 0.015 0.000 0.819 104 E CB -0.209 29.497 29.700 0.010 0.000 0.738 104 E HN 1.369 nan 8.360 nan 0.000 0.478 105 L N 0.429 121.659 121.223 0.011 0.000 3.826 105 L HA -0.194 4.145 4.340 -0.000 0.000 0.566 105 L C -1.107 175.766 176.870 0.006 0.000 1.217 105 L CA 0.658 55.502 54.840 0.006 0.000 0.823 105 L CB -1.180 40.886 42.059 0.011 0.000 1.381 105 L HN 0.145 nan 8.230 nan 0.000 0.825 106 L N 2.158 123.382 121.223 0.001 0.000 2.453 106 L HA 0.658 4.998 4.340 -0.000 0.000 0.261 106 L C 1.065 177.934 176.870 -0.002 0.000 1.179 106 L CA 0.228 55.070 54.840 0.002 0.000 0.813 106 L CB 0.874 42.930 42.059 -0.005 0.000 1.110 106 L HN 0.721 nan 8.230 nan 0.000 0.466 107 A N 2.366 125.191 122.820 0.008 0.000 2.311 107 A HA 0.393 4.713 4.320 -0.000 0.000 0.306 107 A C -0.565 177.012 177.584 -0.012 0.000 1.189 107 A CA -0.730 51.311 52.037 0.006 0.000 0.791 107 A CB 0.936 19.959 19.000 0.039 0.000 1.172 107 A HN 0.499 nan 8.150 nan 0.000 0.481 108 K N 1.944 122.321 120.400 -0.039 0.000 2.336 108 K HA 0.152 4.472 4.320 -0.000 0.000 0.290 108 K C -0.736 175.793 176.600 -0.118 0.000 1.067 108 K CA 0.121 56.367 56.287 -0.070 0.000 0.962 108 K CB -0.084 32.371 32.500 -0.075 0.000 1.008 108 K HN 0.746 nan 8.250 nan 0.000 0.467 109 C N 3.717 122.906 119.300 -0.185 0.000 2.373 109 C HA 0.164 4.624 4.460 -0.000 0.000 0.354 109 C C 1.625 176.350 174.990 -0.443 0.000 1.249 109 C CA -0.626 58.090 59.018 -0.503 0.000 1.784 109 C CB -0.128 27.265 27.740 -0.578 0.000 2.408 109 C HN 0.727 nan 8.230 nan 0.000 0.542 110 E N 1.034 120.972 120.200 -0.436 0.000 2.476 110 E HA 0.143 4.493 4.350 -0.000 0.000 0.199 110 E C 1.135 177.639 176.600 -0.160 0.000 1.021 110 E CA 0.121 56.405 56.400 -0.194 0.000 0.907 110 E CB -0.048 29.607 29.700 -0.076 0.000 0.974 110 E HN 0.777 nan 8.360 nan 0.000 0.489 111 F N -1.726 118.153 119.950 -0.118 0.000 2.795 111 F HA 0.228 4.755 4.527 -0.000 0.000 0.303 111 F C 0.589 176.176 175.800 -0.354 0.000 1.186 111 F CA 0.012 57.867 58.000 -0.242 0.000 1.415 111 F CB -0.763 38.041 39.000 -0.326 0.000 1.106 111 F HN -0.094 nan 8.300 nan 0.000 0.558 112 F N 0.275 120.213 119.950 -0.020 0.000 2.647 112 F HA 0.253 4.779 4.527 -0.000 0.000 0.300 112 F C 0.733 176.540 175.800 0.010 0.000 1.106 112 F CA -0.677 57.334 58.000 0.020 0.000 1.313 112 F CB -0.287 38.681 39.000 -0.053 0.000 1.007 112 F HN -0.107 nan 8.300 nan 0.000 0.536 113 N N 0.592 119.371 118.700 0.133 0.000 2.483 113 N HA 0.189 4.929 4.740 -0.000 0.000 0.269 113 N C 1.335 176.897 175.510 0.087 0.000 1.209 113 N CA 0.571 53.676 53.050 0.093 0.000 0.969 113 N CB 1.297 39.822 38.487 0.063 0.000 1.173 113 N HN 0.156 nan 8.380 nan 0.000 0.475 114 A N 1.848 124.708 122.820 0.068 0.000 1.954 114 A HA -0.209 4.111 4.320 -0.000 0.000 0.222 114 A C 1.653 179.270 177.584 0.054 0.000 1.199 114 A CA 2.448 54.520 52.037 0.057 0.000 0.657 114 A CB -0.961 18.063 19.000 0.040 0.000 0.823 114 A HN 0.739 nan 8.150 nan 0.000 0.463 115 G N -3.292 105.538 108.800 0.050 0.000 3.233 115 G HA2 0.427 4.386 3.960 -0.000 0.000 0.234 115 G HA3 0.427 4.386 3.960 -0.000 0.000 0.234 115 G C 1.100 176.030 174.900 0.050 0.000 1.137 115 G CA 0.721 45.847 45.100 0.044 0.000 0.763 115 G HN 1.730 nan 8.290 nan 0.000 0.549 116 G N -0.484 108.353 108.800 0.062 0.000 2.176 116 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.253 116 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.253 116 G C 0.438 175.389 174.900 0.085 0.000 0.979 116 G CA 0.806 45.948 45.100 0.069 0.000 0.641 116 G HN 1.735 nan 8.290 nan 0.000 0.530 117 S N -2.612 113.131 115.700 0.072 0.000 2.705 117 S HA 0.683 5.152 4.470 -0.000 0.000 0.280 117 S C 0.661 175.297 174.600 0.060 0.000 1.174 117 S CA 0.391 58.636 58.200 0.075 0.000 0.823 117 S CB 1.540 64.784 63.200 0.073 0.000 1.162 117 S HN 1.294 nan 8.310 nan 0.000 0.487 118 V N 1.531 121.482 119.914 0.062 0.000 2.667 118 V HA -0.019 4.101 4.120 -0.000 0.000 0.252 118 V C 2.080 178.235 176.094 0.101 0.000 1.065 118 V CA 1.574 63.921 62.300 0.078 0.000 1.083 118 V CB -0.876 30.979 31.823 0.052 0.000 0.692 118 V HN 0.811 nan 8.190 nan 0.000 0.468 119 K N 0.110 120.546 120.400 0.060 0.000 2.057 119 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 119 K C 1.762 178.372 176.600 0.016 0.000 1.049 119 K CA 1.701 58.005 56.287 0.029 0.000 0.931 119 K CB -0.791 31.713 32.500 0.005 0.000 0.714 119 K HN 0.502 nan 8.250 nan 0.000 0.440 120 D N 0.669 121.086 120.400 0.028 0.000 2.200 120 D HA -0.214 4.426 4.640 -0.000 0.000 0.192 120 D C 2.031 178.337 176.300 0.010 0.000 1.008 120 D CA 1.326 55.339 54.000 0.022 0.000 0.872 120 D CB -0.185 40.636 40.800 0.034 0.000 0.923 120 D HN 0.253 nan 8.370 nan 0.000 0.447 121 R N 0.232 120.742 120.500 0.016 0.000 2.082 121 R HA -0.043 4.297 4.340 -0.000 0.000 0.228 121 R C 2.703 178.954 176.300 -0.082 0.000 1.140 121 R CA 1.419 57.508 56.100 -0.019 0.000 0.920 121 R CB -0.767 29.534 30.300 0.002 0.000 0.828 121 R HN 0.348 nan 8.270 nan 0.000 0.430 122 I N -1.293 119.189 120.570 -0.147 0.000 2.800 122 I HA -0.159 4.010 4.170 -0.000 0.000 0.266 122 I C 2.004 178.066 176.117 -0.092 0.000 1.249 122 I CA 1.518 62.715 61.300 -0.172 0.000 1.458 122 I CB -0.111 37.775 38.000 -0.189 0.000 1.093 122 I HN 0.008 nan 8.210 nan 0.000 0.466 123 S N 0.389 116.056 115.700 -0.055 0.000 2.478 123 S HA 0.084 4.554 4.470 -0.000 0.000 0.222 123 S C 1.562 176.155 174.600 -0.011 0.000 1.008 123 S CA 0.492 58.675 58.200 -0.028 0.000 0.928 123 S CB -0.155 63.037 63.200 -0.013 0.000 0.781 123 S HN 0.544 nan 8.310 nan 0.000 0.518 124 L N 1.569 122.783 121.223 -0.016 0.000 2.185 124 L HA 0.444 4.784 4.340 -0.000 0.000 0.198 124 L C 2.162 179.027 176.870 -0.008 0.000 1.079 124 L CA 1.515 56.354 54.840 -0.001 0.000 0.780 124 L CB -1.182 40.876 42.059 -0.001 0.000 0.955 124 L HN 0.082 nan 8.230 nan 0.000 0.462 125 R N -0.195 120.287 120.500 -0.031 0.000 2.159 125 R HA -0.255 4.085 4.340 -0.000 0.000 0.249 125 R C 2.243 178.524 176.300 -0.031 0.000 1.136 125 R CA 2.758 58.835 56.100 -0.037 0.000 0.951 125 R CB -0.679 29.578 30.300 -0.071 0.000 0.876 125 R HN 0.450 nan 8.270 nan 0.000 0.440 126 M N -0.488 119.089 119.600 -0.038 0.000 2.115 126 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 126 M C 2.051 178.348 176.300 -0.004 0.000 1.071 126 M CA 1.903 57.186 55.300 -0.028 0.000 1.100 126 M CB -0.407 32.174 32.600 -0.032 0.000 1.292 126 M HN 0.173 nan 8.290 nan 0.000 0.415 127 I N -0.631 119.951 120.570 0.020 0.000 2.800 127 I HA -0.244 3.926 4.170 -0.000 0.000 0.266 127 I C 1.762 177.922 176.117 0.072 0.000 1.249 127 I CA 1.350 62.691 61.300 0.068 0.000 1.458 127 I CB -0.914 37.159 38.000 0.121 0.000 1.093 127 I HN 0.496 nan 8.210 nan 0.000 0.466 128 E N 0.317 120.535 120.200 0.031 0.000 2.340 128 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 128 E C 1.274 177.870 176.600 -0.007 0.000 0.961 128 E CA 0.137 56.548 56.400 0.018 0.000 0.905 128 E CB 0.401 30.107 29.700 0.009 0.000 0.884 128 E HN 0.341 nan 8.360 nan 0.000 0.491 129 D N 0.324 120.712 120.400 -0.019 0.000 2.183 129 D HA 0.013 4.653 4.640 -0.000 0.000 0.205 129 D C 1.757 178.028 176.300 -0.048 0.000 0.962 129 D CA 0.821 54.798 54.000 -0.038 0.000 0.849 129 D CB 0.034 40.818 40.800 -0.027 0.000 0.978 129 D HN 0.112 nan 8.370 nan 0.000 0.488 130 A N 1.205 124.003 122.820 -0.038 0.000 1.877 130 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 130 A C 2.035 179.587 177.584 -0.054 0.000 1.186 130 A CA 1.513 53.516 52.037 -0.057 0.000 0.620 130 A CB -0.594 18.369 19.000 -0.063 0.000 0.822 130 A HN 0.179 nan 8.150 nan 0.000 0.443 131 E N -0.609 119.582 120.200 -0.016 0.000 2.070 131 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 131 E C 2.330 178.918 176.600 -0.021 0.000 1.004 131 E CA 1.370 57.777 56.400 0.011 0.000 0.805 131 E CB -0.207 29.534 29.700 0.068 0.000 0.744 131 E HN 0.523 nan 8.360 nan 0.000 0.451 132 R N 0.719 121.190 120.500 -0.048 0.000 2.094 132 R HA -0.166 4.173 4.340 -0.000 0.000 0.239 132 R C 1.863 178.100 176.300 -0.105 0.000 1.137 132 R CA 1.786 57.831 56.100 -0.091 0.000 0.943 132 R CB -0.143 30.064 30.300 -0.155 0.000 0.850 132 R HN 0.187 nan 8.270 nan 0.000 0.433 133 D N -1.443 118.893 120.400 -0.107 0.000 2.350 133 D HA -0.030 4.610 4.640 -0.000 0.000 0.216 133 D C 1.121 177.388 176.300 -0.054 0.000 0.968 133 D CA 1.380 55.332 54.000 -0.081 0.000 0.894 133 D CB 0.328 41.093 40.800 -0.058 0.000 0.909 133 D HN 0.579 nan 8.370 nan 0.000 0.520 134 G N 0.538 109.308 108.800 -0.050 0.000 2.176 134 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.232 134 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.232 134 G C 1.233 176.102 174.900 -0.052 0.000 0.986 134 G CA 1.026 46.105 45.100 -0.035 0.000 0.643 134 G HN 0.433 nan 8.290 nan 0.000 0.522 135 T N -1.875 112.620 114.554 -0.098 0.000 2.978 135 T HA 0.352 4.702 4.350 -0.000 0.000 0.262 135 T C 1.133 175.692 174.700 -0.234 0.000 1.063 135 T CA 1.366 63.348 62.100 -0.198 0.000 1.140 135 T CB 0.152 68.860 68.868 -0.267 0.000 0.886 135 T HN 1.031 nan 8.240 nan 0.000 0.470 136 L N 2.441 123.594 121.223 -0.116 0.000 2.272 136 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 136 L C -0.642 176.248 176.870 0.034 0.000 1.045 136 L CA -0.880 53.938 54.840 -0.036 0.000 0.842 136 L CB 0.488 42.501 42.059 -0.076 0.000 1.224 136 L HN 0.064 nan 8.230 nan 0.000 0.430 137 K N 6.081 126.523 120.400 0.071 0.000 2.174 137 K HA 0.402 4.722 4.320 -0.000 0.000 0.275 137 K C -2.329 174.403 176.600 0.219 0.000 1.015 137 K CA -1.715 54.640 56.287 0.113 0.000 0.933 137 K CB 0.441 32.996 32.500 0.091 0.000 1.025 137 K HN 0.404 nan 8.250 nan 0.000 0.463 138 P HA -0.127 nan 4.420 nan 0.000 0.255 138 P C 0.245 177.719 177.300 0.292 0.000 1.161 138 P CA 1.159 64.438 63.100 0.298 0.000 0.768 138 P CB 0.106 31.877 31.700 0.119 0.000 0.746 139 G N 3.212 112.303 108.800 0.485 0.000 2.212 139 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.255 139 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.255 139 G C 0.689 175.703 174.900 0.191 0.000 1.062 139 G CA 0.098 45.391 45.100 0.322 0.000 0.815 139 G HN 0.384 nan 8.290 nan 0.000 0.497 140 D N -0.069 120.390 120.400 0.099 0.000 2.149 140 D HA 0.226 4.865 4.640 -0.000 0.000 0.206 140 D C 1.365 177.572 176.300 -0.155 0.000 0.967 140 D CA 2.112 56.055 54.000 -0.096 0.000 0.848 140 D CB 0.127 40.803 40.800 -0.208 0.000 0.998 140 D HN 0.741 nan 8.370 nan 0.000 0.474 141 T N -0.283 114.161 114.554 -0.184 0.000 3.844 141 T HA -0.062 4.288 4.350 -0.000 0.000 0.378 141 T C -0.163 174.412 174.700 -0.210 0.000 0.761 141 T CA -0.322 61.678 62.100 -0.167 0.000 2.035 141 T CB -1.580 67.196 68.868 -0.153 0.000 1.795 141 T HN 0.050 nan 8.240 nan 0.000 0.883 142 I N 2.251 122.726 120.570 -0.158 0.000 2.634 142 I HA 0.388 4.558 4.170 -0.000 0.000 0.284 142 I C 0.723 176.788 176.117 -0.087 0.000 1.124 142 I CA -0.108 61.122 61.300 -0.116 0.000 1.417 142 I CB 0.673 38.636 38.000 -0.062 0.000 1.396 142 I HN 0.463 nan 8.210 nan 0.000 0.571 143 I N 4.931 125.450 120.570 -0.084 0.000 2.465 143 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 143 I C -0.513 175.545 176.117 -0.098 0.000 1.014 143 I CA -0.609 60.628 61.300 -0.105 0.000 1.093 143 I CB 2.092 40.004 38.000 -0.146 0.000 1.267 143 I HN 0.497 nan 8.210 nan 0.000 0.431 144 E N 9.623 129.759 120.200 -0.106 0.000 2.145 144 E HA 0.367 4.716 4.350 -0.000 0.000 0.262 144 E C -2.087 174.424 176.600 -0.147 0.000 0.883 144 E CA -2.395 53.947 56.400 -0.097 0.000 0.748 144 E CB 1.495 31.155 29.700 -0.066 0.000 1.140 144 E HN 0.173 nan 8.360 nan 0.000 0.417 145 P HA -0.196 nan 4.420 nan 0.000 0.215 145 P C 0.435 177.522 177.300 -0.355 0.000 1.163 145 P CA 1.268 64.240 63.100 -0.212 0.000 0.894 145 P CB 0.201 31.875 31.700 -0.042 0.000 0.791 146 T N -1.359 113.134 114.554 -0.102 0.000 2.952 146 T HA 0.353 4.703 4.350 -0.000 0.000 0.286 146 T C 0.875 175.595 174.700 0.033 0.000 1.024 146 T CA -0.288 61.841 62.100 0.049 0.000 1.029 146 T CB 0.746 69.784 68.868 0.284 0.000 1.094 146 T HN 0.026 nan 8.240 nan 0.000 0.515 147 S N 1.118 116.897 115.700 0.133 0.000 2.583 147 S HA 0.396 4.866 4.470 -0.000 0.000 0.239 147 S C 0.964 175.584 174.600 0.032 0.000 0.966 147 S CA -0.499 57.734 58.200 0.055 0.000 0.973 147 S CB -0.077 63.160 63.200 0.061 0.000 0.794 147 S HN 0.874 nan 8.310 nan 0.000 0.463 148 G N 1.775 110.603 108.800 0.047 0.000 2.588 148 G HA2 0.214 4.174 3.960 -0.000 0.000 0.278 148 G HA3 0.214 4.174 3.960 -0.000 0.000 0.278 148 G C 0.768 175.661 174.900 -0.011 0.000 1.307 148 G CA -0.623 44.483 45.100 0.010 0.000 1.016 148 G HN 0.235 nan 8.290 nan 0.000 0.503 149 N N -0.286 118.404 118.700 -0.017 0.000 2.139 149 N HA -0.217 4.523 4.740 -0.000 0.000 0.199 149 N C 2.408 177.914 175.510 -0.007 0.000 1.003 149 N CA 2.157 55.203 53.050 -0.006 0.000 0.892 149 N CB -0.688 37.808 38.487 0.015 0.000 1.039 149 N HN 0.568 nan 8.380 nan 0.000 0.461 150 T N -0.442 114.102 114.554 -0.017 0.000 2.685 150 T HA -0.157 4.192 4.350 -0.000 0.000 0.268 150 T C 1.971 176.659 174.700 -0.020 0.000 1.034 150 T CA 1.550 63.634 62.100 -0.028 0.000 1.149 150 T CB -0.922 67.913 68.868 -0.055 0.000 0.860 150 T HN 0.423 nan 8.240 nan 0.000 0.449 151 G N 1.333 110.123 108.800 -0.016 0.000 2.418 151 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 151 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 151 G C 1.451 176.345 174.900 -0.010 0.000 1.158 151 G CA 0.642 45.731 45.100 -0.017 0.000 0.771 151 G HN 0.483 nan 8.290 nan 0.000 0.545 152 I N 1.746 122.312 120.570 -0.007 0.000 2.361 152 I HA -0.004 4.166 4.170 -0.000 0.000 0.251 152 I C 2.914 179.035 176.117 0.007 0.000 1.133 152 I CA 1.258 62.558 61.300 0.000 0.000 1.413 152 I CB -0.469 37.531 38.000 0.001 0.000 1.073 152 I HN 0.180 nan 8.210 nan 0.000 0.424 153 G N 0.502 109.305 108.800 0.005 0.000 2.464 153 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 153 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 153 G C 1.649 176.556 174.900 0.013 0.000 1.218 153 G CA 0.448 45.553 45.100 0.009 0.000 0.794 153 G HN 0.307 nan 8.290 nan 0.000 0.542 154 L N 0.955 122.183 121.223 0.008 0.000 2.129 154 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 154 L C 3.360 180.248 176.870 0.029 0.000 1.087 154 L CA 1.062 55.913 54.840 0.019 0.000 0.757 154 L CB -0.460 41.601 42.059 0.003 0.000 0.896 154 L HN 0.331 nan 8.230 nan 0.000 0.434 155 A N 0.112 122.942 122.820 0.017 0.000 1.873 155 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 155 A C 2.162 179.759 177.584 0.022 0.000 1.186 155 A CA 1.520 53.568 52.037 0.018 0.000 0.616 155 A CB -0.605 18.400 19.000 0.008 0.000 0.823 155 A HN 0.301 nan 8.150 nan 0.000 0.442 156 L N 0.112 121.346 121.223 0.019 0.000 1.948 156 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 156 L C 2.619 179.500 176.870 0.017 0.000 1.074 156 L CA 2.641 57.492 54.840 0.018 0.000 0.753 156 L CB -1.434 40.637 42.059 0.019 0.000 0.888 156 L HN 0.341 nan 8.230 nan 0.000 0.432 157 A N -0.135 122.698 122.820 0.022 0.000 1.927 157 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 157 A C 2.472 180.071 177.584 0.026 0.000 1.185 157 A CA 2.751 54.801 52.037 0.022 0.000 0.639 157 A CB -1.459 17.561 19.000 0.034 0.000 0.820 157 A HN 0.761 nan 8.150 nan 0.000 0.451 158 A N -0.102 122.757 122.820 0.065 0.000 1.859 158 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 158 A C 2.600 180.197 177.584 0.022 0.000 1.209 158 A CA 3.061 55.165 52.037 0.111 0.000 0.639 158 A CB -1.446 17.628 19.000 0.123 0.000 0.835 158 A HN 1.342 nan 8.150 nan 0.000 0.450 159 A N -0.673 122.157 122.820 0.016 0.000 1.859 159 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 159 A C 2.182 179.741 177.584 -0.041 0.000 1.209 159 A CA 2.624 54.656 52.037 -0.007 0.000 0.639 159 A CB -1.477 17.524 19.000 0.001 0.000 0.835 159 A HN 0.780 nan 8.150 nan 0.000 0.450 160 V N -0.205 119.688 119.914 -0.036 0.000 2.511 160 V HA -0.299 3.821 4.120 -0.000 0.000 0.257 160 V C 2.342 178.378 176.094 -0.097 0.000 1.088 160 V CA 2.402 64.672 62.300 -0.051 0.000 1.098 160 V CB -0.963 30.839 31.823 -0.034 0.000 0.674 160 V HN 0.543 nan 8.190 nan 0.000 0.470 161 R N -0.903 119.500 120.500 -0.162 0.000 2.437 161 R HA 0.344 4.684 4.340 -0.000 0.000 0.257 161 R C 1.500 177.548 176.300 -0.420 0.000 0.927 161 R CA 0.685 56.607 56.100 -0.297 0.000 1.078 161 R CB 0.947 31.014 30.300 -0.389 0.000 1.161 161 R HN 0.556 nan 8.270 nan 0.000 0.529 162 G N 0.650 109.280 108.800 -0.283 0.000 2.148 162 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.203 162 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.203 162 G C -0.211 174.648 174.900 -0.069 0.000 0.993 162 G CA -0.501 44.487 45.100 -0.187 0.000 0.661 162 G HN 0.313 nan 8.290 nan 0.000 0.518 163 Y N 0.356 120.654 120.300 -0.004 0.000 2.323 163 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 163 Y C 1.110 177.001 175.900 -0.015 0.000 1.092 163 Y CA -1.105 56.990 58.100 -0.008 0.000 1.150 163 Y CB 0.892 39.350 38.460 -0.003 0.000 1.200 163 Y HN 0.204 nan 8.280 nan 0.000 0.472 164 R N 2.547 123.139 120.500 0.152 0.000 2.489 164 R HA 0.272 4.612 4.340 -0.000 0.000 0.287 164 R C -1.162 175.161 176.300 0.039 0.000 1.053 164 R CA -0.087 56.049 56.100 0.060 0.000 1.036 164 R CB 0.331 30.643 30.300 0.020 0.000 0.966 164 R HN 0.764 nan 8.270 nan 0.000 0.432 165 C N 6.140 125.455 119.300 0.025 0.000 2.493 165 C HA 0.721 5.180 4.460 -0.000 0.000 0.326 165 C C -0.690 174.289 174.990 -0.018 0.000 1.200 165 C CA -0.589 58.432 59.018 0.006 0.000 1.739 165 C CB 0.395 28.147 27.740 0.020 0.000 2.300 165 C HN 0.867 nan 8.230 nan 0.000 0.500 166 I N 4.808 125.355 120.570 -0.038 0.000 2.722 166 I HA 0.518 4.687 4.170 -0.000 0.000 0.295 166 I C -1.204 174.872 176.117 -0.068 0.000 1.161 166 I CA -0.486 60.783 61.300 -0.052 0.000 1.032 166 I CB 2.027 39.986 38.000 -0.068 0.000 1.244 166 I HN 0.410 nan 8.210 nan 0.000 0.421 167 I N 5.483 126.011 120.570 -0.069 0.000 2.533 167 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 167 I C -0.403 175.648 176.117 -0.109 0.000 1.056 167 I CA -0.630 60.616 61.300 -0.089 0.000 1.057 167 I CB 2.256 40.222 38.000 -0.057 0.000 1.240 167 I HN 0.216 nan 8.210 nan 0.000 0.423 168 V N 5.397 125.197 119.914 -0.190 0.000 2.304 168 V HA 0.623 4.743 4.120 -0.000 0.000 0.262 168 V C -0.114 175.843 176.094 -0.228 0.000 1.061 168 V CA -0.537 61.638 62.300 -0.208 0.000 0.872 168 V CB 0.170 31.831 31.823 -0.269 0.000 1.077 168 V HN 0.742 nan 8.190 nan 0.000 0.480 169 M N 4.528 124.154 119.600 0.044 0.000 2.508 169 M HA 0.841 5.321 4.480 -0.000 0.000 0.327 169 M C -2.844 173.613 176.300 0.262 0.000 1.160 169 M CA -2.019 53.455 55.300 0.289 0.000 0.980 169 M CB 1.883 34.558 32.600 0.126 0.000 1.693 169 M HN 0.148 nan 8.290 nan 0.000 0.452 170 P HA 0.061 nan 4.420 nan 0.000 0.271 170 P C -0.097 177.229 177.300 0.043 0.000 1.238 170 P CA 0.127 63.266 63.100 0.065 0.000 0.794 170 P CB 0.470 32.141 31.700 -0.049 0.000 0.959 171 E N 0.548 120.763 120.200 0.026 0.000 2.204 171 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 171 E C 1.543 178.153 176.600 0.015 0.000 0.990 171 E CA 1.460 57.873 56.400 0.020 0.000 0.821 171 E CB -0.277 29.432 29.700 0.016 0.000 0.750 171 E HN 0.481 nan 8.360 nan 0.000 0.477 172 K N -0.668 119.738 120.400 0.010 0.000 2.356 172 K HA 0.103 4.423 4.320 -0.000 0.000 0.195 172 K C 1.786 178.390 176.600 0.007 0.000 1.037 172 K CA 0.193 56.486 56.287 0.009 0.000 1.014 172 K CB 0.039 32.542 32.500 0.004 0.000 0.815 172 K HN -0.058 nan 8.250 nan 0.000 0.507 173 M N 1.368 120.969 119.600 0.002 0.000 2.128 173 M HA -0.302 4.178 4.480 -0.000 0.000 0.253 173 M C 0.450 176.740 176.300 -0.016 0.000 1.079 173 M CA 2.147 57.443 55.300 -0.008 0.000 1.082 173 M CB -0.900 31.692 32.600 -0.013 0.000 1.335 173 M HN 0.580 nan 8.290 nan 0.000 0.401 174 S N -2.893 112.795 115.700 -0.021 0.000 6.141 174 S HA -0.098 4.372 4.470 -0.000 0.000 0.039 174 S C 0.159 174.715 174.600 -0.073 0.000 1.705 174 S CA 0.083 58.268 58.200 -0.025 0.000 2.966 174 S CB -0.627 62.559 63.200 -0.022 0.000 0.490 174 S HN 0.574 nan 8.310 nan 0.000 0.501 175 S N 0.546 116.134 115.700 -0.187 0.000 2.740 175 S HA 0.437 4.906 4.470 -0.000 0.000 0.276 175 S C -0.710 173.324 174.600 -0.944 0.000 0.811 175 S CA 1.173 59.163 58.200 -0.350 0.000 1.076 175 S CB -0.025 63.080 63.200 -0.158 0.000 1.350 175 S HN 1.721 nan 8.310 nan 0.000 0.471 176 E N 0.854 120.144 120.200 -1.518 0.000 3.393 176 E HA -0.068 4.281 4.350 -0.000 0.000 0.170 176 E C 0.524 176.711 176.600 -0.689 0.000 0.577 176 E CA 0.406 55.603 56.400 -2.006 0.000 2.836 176 E CB -1.214 28.037 29.700 -0.749 0.000 1.541 176 E HN 0.437 nan 8.360 nan 0.000 0.753 177 K N 0.929 121.053 120.400 -0.461 0.000 2.435 177 K HA 0.325 4.644 4.320 -0.000 0.000 0.199 177 K C 1.701 178.229 176.600 -0.120 0.000 1.153 177 K CA 0.655 56.821 56.287 -0.203 0.000 0.974 177 K CB 1.101 33.499 32.500 -0.168 0.000 0.997 177 K HN 0.008 nan 8.250 nan 0.000 0.547 178 V N 2.358 122.184 119.914 -0.146 0.000 2.261 178 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 178 V C 1.434 177.530 176.094 0.004 0.000 1.047 178 V CA 2.135 64.401 62.300 -0.056 0.000 1.015 178 V CB -0.372 31.426 31.823 -0.042 0.000 0.642 178 V HN 0.256 nan 8.190 nan 0.000 0.446 179 D N 0.235 120.671 120.400 0.059 0.000 2.123 179 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 179 D C 2.169 178.521 176.300 0.088 0.000 0.992 179 D CA 1.448 55.528 54.000 0.133 0.000 0.833 179 D CB -0.692 40.294 40.800 0.311 0.000 0.954 179 D HN 0.319 nan 8.370 nan 0.000 0.455 180 V N 1.191 121.147 119.914 0.070 0.000 2.231 180 V HA -0.298 3.821 4.120 -0.000 0.000 0.250 180 V C 2.645 178.755 176.094 0.028 0.000 1.058 180 V CA 1.606 63.933 62.300 0.045 0.000 1.022 180 V CB -0.772 31.058 31.823 0.012 0.000 0.640 180 V HN 0.201 nan 8.190 nan 0.000 0.445 181 L N -0.649 120.580 121.223 0.011 0.000 1.988 181 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 181 L C 2.774 179.652 176.870 0.014 0.000 1.071 181 L CA 1.778 56.622 54.840 0.008 0.000 0.744 181 L CB -0.788 41.268 42.059 -0.004 0.000 0.893 181 L HN 0.190 nan 8.230 nan 0.000 0.433 182 R N 0.361 120.872 120.500 0.018 0.000 2.154 182 R HA -0.207 4.132 4.340 -0.000 0.000 0.248 182 R C 2.278 178.591 176.300 0.022 0.000 1.155 182 R CA 1.405 57.517 56.100 0.021 0.000 0.979 182 R CB -0.650 29.667 30.300 0.028 0.000 0.869 182 R HN 0.423 nan 8.270 nan 0.000 0.452 183 A N 0.767 123.604 122.820 0.028 0.000 2.066 183 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 183 A C 1.899 179.494 177.584 0.019 0.000 1.157 183 A CA 0.822 52.875 52.037 0.025 0.000 0.670 183 A CB -0.120 18.899 19.000 0.032 0.000 0.804 183 A HN 0.186 nan 8.150 nan 0.000 0.453 184 L N -1.343 119.891 121.223 0.018 0.000 2.591 184 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 184 L C 1.611 178.489 176.870 0.013 0.000 1.133 184 L CA 0.592 55.441 54.840 0.015 0.000 0.880 184 L CB 0.062 42.130 42.059 0.015 0.000 1.033 184 L HN 0.528 nan 8.230 nan 0.000 0.450 185 G N -0.144 108.663 108.800 0.013 0.000 2.175 185 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 185 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 185 G C 0.380 175.286 174.900 0.010 0.000 0.982 185 G CA -0.086 45.021 45.100 0.012 0.000 0.641 185 G HN 0.460 nan 8.290 nan 0.000 0.527 186 A N 0.321 123.146 122.820 0.009 0.000 2.404 186 A HA 0.629 4.949 4.320 -0.000 0.000 0.273 186 A C 0.406 177.989 177.584 -0.002 0.000 1.144 186 A CA 0.263 52.302 52.037 0.002 0.000 0.806 186 A CB 0.222 19.222 19.000 -0.000 0.000 1.080 186 A HN 0.516 nan 8.150 nan 0.000 0.509 187 E N 1.464 121.660 120.200 -0.007 0.000 2.343 187 E HA 0.556 4.906 4.350 -0.000 0.000 0.269 187 E C -0.422 176.168 176.600 -0.017 0.000 1.047 187 E CA 0.069 56.463 56.400 -0.010 0.000 0.874 187 E CB 1.209 30.902 29.700 -0.013 0.000 1.033 187 E HN 0.623 nan 8.360 nan 0.000 0.409 188 I N 1.354 121.916 120.570 -0.014 0.000 3.002 188 I HA 0.560 4.730 4.170 -0.000 0.000 0.310 188 I C -0.818 175.289 176.117 -0.017 0.000 1.087 188 I CA -1.212 60.077 61.300 -0.018 0.000 1.017 188 I CB 1.943 39.938 38.000 -0.009 0.000 1.226 188 I HN 0.215 nan 8.210 nan 0.000 0.443 189 V N 2.698 122.599 119.914 -0.021 0.000 3.120 189 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 189 V C -0.758 175.336 176.094 -0.000 0.000 1.238 189 V CA -0.986 61.305 62.300 -0.015 0.000 1.008 189 V CB 2.349 34.153 31.823 -0.032 0.000 1.064 189 V HN 0.591 nan 8.190 nan 0.000 0.434 190 R N 1.280 121.789 120.500 0.015 0.000 2.486 190 R HA 0.872 5.212 4.340 -0.000 0.000 0.286 190 R C -0.655 175.676 176.300 0.052 0.000 0.999 190 R CA -0.511 55.614 56.100 0.041 0.000 0.993 190 R CB 1.461 31.782 30.300 0.035 0.000 1.084 190 R HN 0.857 nan 8.270 nan 0.000 0.487 191 T N 3.195 117.813 114.554 0.105 0.000 3.395 191 T HA 0.309 4.659 4.350 -0.000 0.000 0.330 191 T C -2.634 172.152 174.700 0.144 0.000 1.076 191 T CA -0.959 61.218 62.100 0.127 0.000 1.070 191 T CB 2.491 71.444 68.868 0.143 0.000 1.119 191 T HN 0.193 nan 8.240 nan 0.000 0.462 192 P HA 0.208 nan 4.420 nan 0.000 0.275 192 P C 0.767 178.083 177.300 0.027 0.000 1.270 192 P CA -0.254 62.864 63.100 0.030 0.000 0.791 192 P CB 0.234 31.948 31.700 0.023 0.000 1.089 199 S N -0.638 115.157 115.700 0.160 0.000 2.690 199 S HA 0.614 5.084 4.470 -0.000 0.000 0.285 199 S C -1.691 172.947 174.600 0.064 0.000 1.135 199 S CA -0.850 57.404 58.200 0.091 0.000 1.020 199 S CB 1.423 64.678 63.200 0.093 0.000 1.159 199 S HN -0.165 nan 8.310 nan 0.000 0.534 200 P HA -0.010 nan 4.420 nan 0.000 0.218 200 P C 0.356 177.789 177.300 0.222 0.000 1.149 200 P CA 1.290 64.437 63.100 0.078 0.000 0.817 200 P CB -0.133 31.585 31.700 0.031 0.000 0.785 201 E N -1.271 119.046 120.200 0.194 0.000 3.105 201 E HA 0.228 4.578 4.350 -0.000 0.000 0.219 201 E C 1.093 177.794 176.600 0.169 0.000 1.064 201 E CA -0.328 56.206 56.400 0.224 0.000 1.342 201 E CB -0.272 29.540 29.700 0.186 0.000 1.295 201 E HN -0.165 nan 8.360 nan 0.000 0.438 202 S N 0.410 116.223 115.700 0.188 0.000 2.345 202 S HA -0.210 4.260 4.470 -0.000 0.000 0.220 202 S C 1.330 176.059 174.600 0.214 0.000 1.031 202 S CA 1.627 59.934 58.200 0.179 0.000 0.996 202 S CB -0.236 63.093 63.200 0.216 0.000 0.882 202 S HN 0.744 nan 8.310 nan 0.000 0.445 203 H N -1.098 118.033 119.070 0.102 0.000 3.540 203 H HA 0.312 4.868 4.556 -0.000 0.000 0.259 203 H C 0.644 175.980 175.328 0.013 0.000 1.197 203 H CA 0.692 56.781 56.048 0.069 0.000 1.136 203 H CB 1.093 30.926 29.762 0.118 0.000 1.605 203 H HN 0.378 nan 8.280 nan 0.000 0.657 204 V N -2.394 117.561 119.914 0.069 0.000 3.276 204 V HA 0.499 4.619 4.120 -0.000 0.000 0.319 204 V C 1.518 177.447 176.094 -0.275 0.000 1.427 204 V CA 0.473 62.685 62.300 -0.148 0.000 1.102 204 V CB 0.374 32.223 31.823 0.044 0.000 1.020 204 V HN 0.260 nan 8.190 nan 0.000 0.456 205 G N 1.384 110.158 108.800 -0.044 0.000 2.547 205 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 205 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 205 G C 1.245 176.117 174.900 -0.046 0.000 1.254 205 G CA 1.245 46.372 45.100 0.045 0.000 0.817 205 G HN 0.364 nan 8.290 nan 0.000 0.551 206 V N 2.164 122.052 119.914 -0.043 0.000 2.944 206 V HA -0.144 3.976 4.120 -0.000 0.000 0.265 206 V C 3.119 179.134 176.094 -0.131 0.000 1.125 206 V CA 1.589 63.861 62.300 -0.046 0.000 1.145 206 V CB -0.933 30.870 31.823 -0.034 0.000 0.725 206 V HN 0.523 nan 8.190 nan 0.000 0.510 207 A N -0.338 122.299 122.820 -0.304 0.000 1.877 207 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 207 A C 1.913 179.223 177.584 -0.457 0.000 1.186 207 A CA 1.808 53.544 52.037 -0.502 0.000 0.620 207 A CB -0.702 17.789 19.000 -0.848 0.000 0.822 207 A HN 0.676 nan 8.150 nan 0.000 0.443 208 W N -0.667 120.637 121.300 0.006 0.000 2.388 208 W HA -0.029 4.630 4.660 -0.000 0.000 0.294 208 W C 1.984 178.505 176.519 0.003 0.000 1.212 208 W CA 0.766 58.115 57.345 0.006 0.000 1.271 208 W CB -0.105 29.360 29.460 0.009 0.000 1.126 208 W HN 0.089 nan 8.180 nan 0.000 0.535 209 R N 0.359 120.958 120.500 0.164 0.000 2.340 209 R HA 0.079 4.418 4.340 -0.000 0.000 0.215 209 R C 1.500 177.823 176.300 0.037 0.000 1.017 209 R CA 0.449 56.607 56.100 0.097 0.000 1.111 209 R CB -0.393 29.951 30.300 0.074 0.000 1.049 209 R HN 0.299 nan 8.270 nan 0.000 0.490 210 L N -1.144 120.085 121.223 0.010 0.000 2.777 210 L HA 0.117 4.456 4.340 -0.000 0.000 0.172 210 L C 1.932 178.792 176.870 -0.017 0.000 1.179 210 L CA 0.280 55.099 54.840 -0.035 0.000 0.859 210 L CB -0.435 41.560 42.059 -0.106 0.000 1.269 210 L HN 0.080 nan 8.230 nan 0.000 0.511 211 K N 0.504 120.898 120.400 -0.010 0.000 2.144 211 K HA -0.262 4.057 4.320 -0.000 0.000 0.209 211 K C 1.639 178.269 176.600 0.050 0.000 1.047 211 K CA 2.168 58.472 56.287 0.029 0.000 0.927 211 K CB 0.098 32.688 32.500 0.150 0.000 0.716 211 K HN 0.245 nan 8.250 nan 0.000 0.454 212 N N 0.375 119.123 118.700 0.080 0.000 2.173 212 N HA -0.086 4.653 4.740 -0.000 0.000 0.184 212 N C 1.541 177.069 175.510 0.030 0.000 1.025 212 N CA 1.128 54.215 53.050 0.063 0.000 0.852 212 N CB -0.185 38.349 38.487 0.079 0.000 0.998 212 N HN 0.197 nan 8.380 nan 0.000 0.427 213 E N 0.679 120.893 120.200 0.023 0.000 2.085 213 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 213 E C 0.283 176.879 176.600 -0.007 0.000 0.994 213 E CA 0.689 57.093 56.400 0.008 0.000 0.801 213 E CB -0.022 29.680 29.700 0.004 0.000 0.743 213 E HN 0.365 nan 8.360 nan 0.000 0.453 214 I N 2.245 122.802 120.570 -0.021 0.000 2.291 214 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 214 I C -2.258 173.829 176.117 -0.050 0.000 1.064 214 I CA -2.270 59.007 61.300 -0.038 0.000 1.269 214 I CB 0.950 38.916 38.000 -0.056 0.000 1.418 214 I HN -0.187 nan 8.210 nan 0.000 0.485 215 P HA -0.013 nan 4.420 nan 0.000 0.264 215 P C -0.051 177.198 177.300 -0.084 0.000 1.183 215 P CA 0.393 63.468 63.100 -0.041 0.000 0.763 215 P CB 0.259 31.945 31.700 -0.023 0.000 0.807 216 N N -0.883 117.753 118.700 -0.106 0.000 2.776 216 N HA -0.126 4.613 4.740 -0.000 0.000 0.250 216 N C -0.533 174.692 175.510 -0.474 0.000 1.112 216 N CA 1.206 54.132 53.050 -0.207 0.000 0.733 216 N CB -1.654 36.763 38.487 -0.118 0.000 1.097 216 N HN 0.544 nan 8.380 nan 0.000 0.558 217 S N -0.050 115.383 115.700 -0.445 0.000 2.608 217 S HA 0.668 5.137 4.470 -0.000 0.000 0.291 217 S C -0.469 173.788 174.600 -0.571 0.000 1.146 217 S CA -0.597 57.324 58.200 -0.465 0.000 1.043 217 S CB 2.233 65.309 63.200 -0.206 0.000 1.037 217 S HN 0.219 nan 8.310 nan 0.000 0.520 218 H N 1.284 120.318 119.070 -0.060 0.000 3.172 218 H HA 0.359 4.915 4.556 -0.000 0.000 0.322 218 H C -0.586 174.724 175.328 -0.031 0.000 1.003 218 H CA -0.691 55.340 56.048 -0.029 0.000 1.466 218 H CB 0.485 30.217 29.762 -0.050 0.000 1.673 218 H HN 0.604 nan 8.280 nan 0.000 0.512 219 I N 3.899 124.527 120.570 0.098 0.000 2.662 219 I HA -0.119 4.051 4.170 -0.000 0.000 0.285 219 I C 0.856 177.019 176.117 0.077 0.000 1.161 219 I CA 0.282 61.590 61.300 0.013 0.000 1.415 219 I CB 0.650 38.597 38.000 -0.089 0.000 1.385 219 I HN 0.408 nan 8.210 nan 0.000 0.552 220 L N 6.276 127.517 121.223 0.030 0.000 2.873 220 L HA 0.129 4.469 4.340 -0.000 0.000 0.236 220 L C 0.786 177.681 176.870 0.042 0.000 1.375 220 L CA -0.101 54.760 54.840 0.034 0.000 1.239 220 L CB -0.726 41.335 42.059 0.004 0.000 1.603 220 L HN 0.584 nan 8.230 nan 0.000 0.430 221 D N 2.328 122.790 120.400 0.103 0.000 2.502 221 D HA -0.130 4.509 4.640 -0.000 0.000 0.249 221 D C 0.259 176.609 176.300 0.083 0.000 1.188 221 D CA 0.362 54.440 54.000 0.129 0.000 0.890 221 D CB 0.770 41.716 40.800 0.244 0.000 1.140 221 D HN 0.348 nan 8.370 nan 0.000 0.505 222 Q N 4.236 124.051 119.800 0.025 0.000 3.027 222 Q HA 0.004 4.344 4.340 -0.000 0.000 0.260 222 Q C -0.958 174.804 176.000 -0.398 0.000 1.379 222 Q CA -0.104 55.592 55.803 -0.178 0.000 1.038 222 Q CB -0.037 28.561 28.738 -0.232 0.000 1.578 222 Q HN 0.662 nan 8.270 nan 0.000 0.571 223 Y N -0.492 119.797 120.300 -0.018 0.000 3.090 223 Y HA -0.071 4.479 4.550 -0.000 0.000 0.356 223 Y C 1.308 177.222 175.900 0.024 0.000 0.921 223 Y CA 0.150 58.240 58.100 -0.018 0.000 0.883 223 Y CB -0.147 38.307 38.460 -0.010 0.000 1.315 223 Y HN 0.416 nan 8.280 nan 0.000 0.495 224 R N 0.690 121.293 120.500 0.170 0.000 2.383 224 R HA 0.193 4.533 4.340 -0.000 0.000 0.205 224 R C 0.459 176.792 176.300 0.055 0.000 0.875 224 R CA 0.218 56.386 56.100 0.113 0.000 1.039 224 R CB 0.275 30.651 30.300 0.127 0.000 1.267 224 R HN 0.079 nan 8.270 nan 0.000 0.635 225 N N 0.577 119.298 118.700 0.036 0.000 2.492 225 N HA -0.016 4.724 4.740 -0.000 0.000 0.260 225 N C 0.136 175.622 175.510 -0.040 0.000 1.215 225 N CA 0.777 53.826 53.050 -0.001 0.000 0.923 225 N CB 1.770 40.252 38.487 -0.009 0.000 1.092 225 N HN 0.279 nan 8.380 nan 0.000 0.448 226 A N 2.555 125.336 122.820 -0.065 0.000 2.147 226 A HA 0.035 4.355 4.320 -0.000 0.000 0.211 226 A C 2.109 179.597 177.584 -0.161 0.000 1.160 226 A CA 0.340 52.298 52.037 -0.132 0.000 0.781 226 A CB -0.263 18.623 19.000 -0.189 0.000 0.842 226 A HN 0.713 nan 8.150 nan 0.000 0.475 227 S N 1.096 116.725 115.700 -0.118 0.000 2.392 227 S HA -0.234 4.235 4.470 -0.000 0.000 0.232 227 S C 2.090 176.605 174.600 -0.142 0.000 1.041 227 S CA 1.645 59.777 58.200 -0.113 0.000 1.026 227 S CB -0.409 62.744 63.200 -0.078 0.000 0.845 227 S HN 0.778 nan 8.310 nan 0.000 0.465 228 N N 1.621 120.236 118.700 -0.142 0.000 2.058 228 N HA -0.043 4.696 4.740 -0.000 0.000 0.191 228 N C -1.214 174.185 175.510 -0.186 0.000 1.037 228 N CA 1.493 54.436 53.050 -0.178 0.000 0.848 228 N CB -1.251 37.155 38.487 -0.135 0.000 1.021 228 N HN 0.195 nan 8.380 nan 0.000 0.422 229 P HA -0.055 nan 4.420 nan 0.000 0.216 229 P C 1.815 179.077 177.300 -0.064 0.000 1.153 229 P CA 0.906 63.956 63.100 -0.084 0.000 0.848 229 P CB -0.037 31.585 31.700 -0.131 0.000 0.787 230 L N -0.797 120.351 121.223 -0.124 0.000 1.956 230 L HA -0.263 4.076 4.340 -0.000 0.000 0.216 230 L C 2.506 179.398 176.870 0.036 0.000 1.073 230 L CA 1.967 56.768 54.840 -0.064 0.000 0.762 230 L CB -1.466 40.502 42.059 -0.153 0.000 0.889 230 L HN -0.060 nan 8.230 nan 0.000 0.433 231 A N -0.370 122.399 122.820 -0.085 0.000 1.882 231 A HA -0.342 3.978 4.320 -0.000 0.000 0.220 231 A C 2.095 179.666 177.584 -0.022 0.000 1.253 231 A CA 2.404 54.378 52.037 -0.105 0.000 0.664 231 A CB -1.294 17.544 19.000 -0.269 0.000 0.838 231 A HN 0.548 nan 8.150 nan 0.000 0.460 232 H N -2.682 116.404 119.070 0.027 0.000 2.457 232 H HA -0.171 4.385 4.556 -0.000 0.000 0.297 232 H C 1.853 177.201 175.328 0.034 0.000 1.092 232 H CA 1.764 57.821 56.048 0.015 0.000 1.309 232 H CB -0.634 29.127 29.762 -0.001 0.000 1.382 232 H HN 0.794 nan 8.280 nan 0.000 0.535 233 Y N 1.453 121.791 120.300 0.063 0.000 2.286 233 Y HA -0.092 4.457 4.550 -0.000 0.000 0.293 233 Y C 1.530 177.455 175.900 0.042 0.000 1.124 233 Y CA 1.127 59.242 58.100 0.024 0.000 1.178 233 Y CB 0.334 38.788 38.460 -0.010 0.000 1.010 233 Y HN 0.003 nan 8.280 nan 0.000 0.536 234 D N -1.251 119.206 120.400 0.095 0.000 2.262 234 D HA -0.041 4.598 4.640 -0.000 0.000 0.212 234 D C 1.955 178.244 176.300 -0.017 0.000 0.964 234 D CA 1.766 55.785 54.000 0.033 0.000 0.875 234 D CB 0.040 40.949 40.800 0.183 0.000 0.996 234 D HN 0.523 nan 8.370 nan 0.000 0.497 235 T N -2.611 111.952 114.554 0.014 0.000 3.286 235 T HA -0.002 4.348 4.350 -0.000 0.000 0.237 235 T C 1.963 176.670 174.700 0.013 0.000 0.969 235 T CA 0.605 62.711 62.100 0.010 0.000 1.298 235 T CB -0.679 68.205 68.868 0.026 0.000 1.053 235 T HN -0.207 nan 8.240 nan 0.000 0.402 236 T N 2.354 116.950 114.554 0.070 0.000 2.918 236 T HA 0.099 4.449 4.350 -0.000 0.000 0.271 236 T C 2.125 176.822 174.700 -0.004 0.000 1.104 236 T CA 1.193 63.330 62.100 0.062 0.000 1.114 236 T CB -0.647 68.322 68.868 0.169 0.000 0.855 236 T HN 0.608 nan 8.240 nan 0.000 0.518 237 A N 2.161 124.967 122.820 -0.023 0.000 1.843 237 A HA -0.021 4.299 4.320 -0.000 0.000 0.213 237 A C 1.883 179.418 177.584 -0.081 0.000 1.202 237 A CA 1.199 53.192 52.037 -0.073 0.000 0.607 237 A CB -0.502 18.404 19.000 -0.156 0.000 0.847 237 A HN 0.363 nan 8.150 nan 0.000 0.445 238 D N 0.145 120.490 120.400 -0.092 0.000 2.378 238 D HA 0.006 4.646 4.640 -0.000 0.000 0.227 238 D C 1.540 177.810 176.300 -0.050 0.000 1.012 238 D CA 0.693 54.647 54.000 -0.077 0.000 0.905 238 D CB -0.047 40.703 40.800 -0.084 0.000 0.895 238 D HN 0.672 nan 8.370 nan 0.000 0.532 239 E N 0.108 120.283 120.200 -0.041 0.000 2.045 239 E HA 0.022 4.371 4.350 -0.000 0.000 0.190 239 E C 2.131 178.709 176.600 -0.037 0.000 0.968 239 E CA 0.104 56.484 56.400 -0.034 0.000 0.813 239 E CB 0.131 29.815 29.700 -0.027 0.000 0.780 239 E HN 0.195 nan 8.360 nan 0.000 0.455 240 I N 1.435 121.980 120.570 -0.042 0.000 2.068 240 I HA -0.315 3.854 4.170 -0.000 0.000 0.238 240 I C 2.661 178.756 176.117 -0.037 0.000 1.046 240 I CA 1.126 62.401 61.300 -0.042 0.000 1.306 240 I CB -0.373 37.598 38.000 -0.048 0.000 1.023 240 I HN 0.126 nan 8.210 nan 0.000 0.399 241 L N 0.175 121.374 121.223 -0.040 0.000 2.349 241 L HA -0.218 4.122 4.340 -0.000 0.000 0.220 241 L C 2.335 179.186 176.870 -0.032 0.000 1.130 241 L CA 1.683 56.501 54.840 -0.036 0.000 0.791 241 L CB -0.485 41.548 42.059 -0.043 0.000 0.918 241 L HN 0.289 nan 8.230 nan 0.000 0.444 242 Q N -1.011 118.769 119.800 -0.033 0.000 2.226 242 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 242 Q C 2.101 178.086 176.000 -0.025 0.000 0.945 242 Q CA 1.214 56.999 55.803 -0.029 0.000 0.861 242 Q CB 0.113 28.834 28.738 -0.029 0.000 0.953 242 Q HN 0.654 nan 8.270 nan 0.000 0.490 243 Q N -0.617 119.166 119.800 -0.027 0.000 1.993 243 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 243 Q C 2.184 178.171 176.000 -0.022 0.000 0.984 243 Q CA 1.498 57.285 55.803 -0.026 0.000 0.837 243 Q CB -0.138 28.582 28.738 -0.030 0.000 0.902 243 Q HN 0.329 nan 8.270 nan 0.000 0.423 244 C N 1.462 120.749 119.300 -0.022 0.000 2.485 244 C HA -0.060 4.400 4.460 -0.000 0.000 0.283 244 C C -0.381 174.600 174.990 -0.015 0.000 1.478 244 C CA -0.110 58.897 59.018 -0.018 0.000 1.741 244 C CB -1.404 26.325 27.740 -0.019 0.000 1.675 244 C HN 0.547 nan 8.230 nan 0.000 0.573 245 D N -0.586 119.804 120.400 -0.016 0.000 2.956 245 D HA -0.087 4.553 4.640 -0.000 0.000 0.240 245 D C 1.091 177.383 176.300 -0.012 0.000 1.141 245 D CA 1.420 55.412 54.000 -0.014 0.000 0.820 245 D CB -1.383 39.410 40.800 -0.011 0.000 0.988 245 D HN 0.585 nan 8.370 nan 0.000 0.417 246 G N 0.184 108.975 108.800 -0.014 0.000 2.826 246 G HA2 -0.470 3.489 3.960 -0.000 0.000 0.235 246 G HA3 -0.470 3.489 3.960 -0.000 0.000 0.235 246 G C 0.627 175.522 174.900 -0.009 0.000 1.159 246 G CA 1.260 46.353 45.100 -0.012 0.000 0.756 246 G HN 0.761 nan 8.290 nan 0.000 0.525 247 K N 0.548 120.944 120.400 -0.008 0.000 2.350 247 K HA 0.686 5.005 4.320 -0.000 0.000 0.279 247 K C -0.282 176.314 176.600 -0.007 0.000 1.027 247 K CA 0.047 56.331 56.287 -0.005 0.000 0.969 247 K CB 0.268 32.766 32.500 -0.004 0.000 0.954 247 K HN 0.689 nan 8.250 nan 0.000 0.474 248 L N 3.678 124.898 121.223 -0.005 0.000 3.729 248 L HA 0.116 4.456 4.340 -0.000 0.000 0.263 248 L C -1.484 175.384 176.870 -0.003 0.000 0.992 248 L CA -0.283 54.553 54.840 -0.007 0.000 1.118 248 L CB 1.643 43.695 42.059 -0.013 0.000 1.885 248 L HN 0.866 nan 8.230 nan 0.000 0.531 249 D N 4.781 125.180 120.400 -0.002 0.000 2.469 249 D HA 0.314 4.954 4.640 -0.000 0.000 0.215 249 D C -0.174 176.126 176.300 0.001 0.000 1.154 249 D CA 0.337 54.338 54.000 0.002 0.000 0.832 249 D CB 1.224 42.028 40.800 0.006 0.000 1.008 249 D HN 0.434 nan 8.370 nan 0.000 0.506 250 M N 0.789 120.384 119.600 -0.007 0.000 2.660 250 M HA 0.289 4.768 4.480 -0.000 0.000 0.281 250 M C -2.395 173.890 176.300 -0.026 0.000 1.131 250 M CA -0.634 54.659 55.300 -0.012 0.000 0.858 250 M CB 2.324 34.920 32.600 -0.006 0.000 1.732 250 M HN -0.125 nan 8.290 nan 0.000 0.516 251 L N 4.334 125.535 121.223 -0.037 0.000 2.573 251 L HA 0.497 4.837 4.340 -0.000 0.000 0.260 251 L C -1.507 175.321 176.870 -0.071 0.000 0.997 251 L CA -0.464 54.343 54.840 -0.054 0.000 0.890 251 L CB 1.785 43.809 42.059 -0.058 0.000 1.179 251 L HN 0.519 nan 8.230 nan 0.000 0.439 252 V N 4.678 124.548 119.914 -0.073 0.000 2.341 252 V HA 0.391 4.510 4.120 -0.000 0.000 0.248 252 V C 1.027 177.058 176.094 -0.105 0.000 1.107 252 V CA 0.240 62.487 62.300 -0.089 0.000 1.069 252 V CB 0.125 31.883 31.823 -0.107 0.000 1.177 252 V HN 0.763 nan 8.190 nan 0.000 0.492 253 A N 4.108 126.853 122.820 -0.126 0.000 2.302 253 A HA 0.666 4.986 4.320 -0.000 0.000 0.285 253 A C 0.431 177.938 177.584 -0.127 0.000 1.105 253 A CA -0.177 51.780 52.037 -0.132 0.000 0.816 253 A CB 1.025 19.936 19.000 -0.149 0.000 1.067 253 A HN 0.637 nan 8.150 nan 0.000 0.489 254 S N -0.154 115.488 115.700 -0.097 0.000 2.617 254 S HA 0.613 5.083 4.470 -0.000 0.000 0.283 254 S C -0.679 173.901 174.600 -0.033 0.000 1.189 254 S CA -0.442 57.720 58.200 -0.063 0.000 1.036 254 S CB 0.697 63.864 63.200 -0.054 0.000 1.014 254 S HN 0.869 nan 8.310 nan 0.000 0.522 255 V N 3.605 123.539 119.914 0.034 0.000 2.482 255 V HA 0.591 4.711 4.120 -0.000 0.000 0.295 255 V C 0.878 177.057 176.094 0.141 0.000 1.026 255 V CA -0.342 62.024 62.300 0.109 0.000 0.856 255 V CB 0.892 32.863 31.823 0.247 0.000 1.001 255 V HN 1.018 nan 8.190 nan 0.000 0.424 256 G N 2.911 111.776 108.800 0.107 0.000 2.797 256 G HA2 0.095 4.055 3.960 -0.000 0.000 0.211 256 G HA3 0.095 4.055 3.960 -0.000 0.000 0.211 256 G C 1.193 176.181 174.900 0.146 0.000 1.236 256 G CA 1.098 46.267 45.100 0.115 0.000 0.833 256 G HN 0.653 nan 8.290 nan 0.000 0.624 257 T N -2.992 111.585 114.554 0.038 0.000 3.021 257 T HA 0.424 4.774 4.350 -0.000 0.000 0.245 257 T C 1.814 176.572 174.700 0.096 0.000 1.028 257 T CA 1.445 63.545 62.100 0.001 0.000 1.139 257 T CB 0.479 69.151 68.868 -0.326 0.000 0.884 257 T HN 1.483 nan 8.240 nan 0.000 0.457 258 G N 0.113 108.958 108.800 0.075 0.000 2.367 258 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.181 258 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.181 258 G C 1.196 176.136 174.900 0.066 0.000 1.000 258 G CA 0.089 45.248 45.100 0.099 0.000 0.693 258 G HN 0.778 nan 8.290 nan 0.000 0.480 259 G N 0.815 109.653 108.800 0.063 0.000 2.450 259 G HA2 0.036 3.995 3.960 -0.000 0.000 0.220 259 G HA3 0.036 3.995 3.960 -0.000 0.000 0.220 259 G C 1.885 176.959 174.900 0.290 0.000 1.130 259 G CA 2.843 48.013 45.100 0.118 0.000 0.760 259 G HN 1.324 nan 8.290 nan 0.000 0.557 260 T N -0.400 114.257 114.554 0.172 0.000 2.770 260 T HA 0.005 4.355 4.350 -0.000 0.000 0.258 260 T C 2.363 177.008 174.700 -0.091 0.000 1.039 260 T CA 0.999 63.019 62.100 -0.133 0.000 1.143 260 T CB -0.273 68.426 68.868 -0.281 0.000 0.866 260 T HN 0.091 nan 8.240 nan 0.000 0.428 261 I N 2.349 122.883 120.570 -0.060 0.000 2.142 261 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 261 I C 2.416 178.506 176.117 -0.046 0.000 1.078 261 I CA 1.845 63.099 61.300 -0.077 0.000 1.343 261 I CB -0.903 37.041 38.000 -0.093 0.000 1.046 261 I HN 0.280 nan 8.210 nan 0.000 0.405 262 T N 0.527 115.073 114.554 -0.013 0.000 2.643 262 T HA -0.088 4.262 4.350 -0.000 0.000 0.264 262 T C 1.862 176.538 174.700 -0.040 0.000 1.045 262 T CA 1.530 63.608 62.100 -0.038 0.000 1.155 262 T CB -1.366 67.481 68.868 -0.034 0.000 0.863 262 T HN 0.579 nan 8.240 nan 0.000 0.420 263 G N 1.521 110.338 108.800 0.029 0.000 2.556 263 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 263 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 263 G C 1.504 176.475 174.900 0.118 0.000 1.156 263 G CA 1.140 46.310 45.100 0.116 0.000 0.766 263 G HN 0.499 nan 8.290 nan 0.000 0.583 264 I N 0.913 121.506 120.570 0.037 0.000 2.185 264 I HA -0.040 4.130 4.170 -0.000 0.000 0.235 264 I C 3.348 179.465 176.117 0.000 0.000 1.069 264 I CA 0.783 62.082 61.300 -0.001 0.000 1.354 264 I CB -0.738 37.229 38.000 -0.056 0.000 1.093 264 I HN 0.263 nan 8.210 nan 0.000 0.411 265 A N 1.404 124.211 122.820 -0.022 0.000 1.906 265 A HA -0.336 3.984 4.320 -0.000 0.000 0.222 265 A C 2.377 179.979 177.584 0.030 0.000 1.282 265 A CA 2.538 54.570 52.037 -0.008 0.000 0.675 265 A CB -1.107 17.878 19.000 -0.025 0.000 0.838 265 A HN 0.369 nan 8.150 nan 0.000 0.469 266 R N -1.153 119.322 120.500 -0.041 0.000 2.113 266 R HA -0.203 4.136 4.340 -0.000 0.000 0.244 266 R C 2.237 178.658 176.300 0.202 0.000 1.142 266 R CA 1.934 57.967 56.100 -0.111 0.000 0.953 266 R CB -0.272 29.661 30.300 -0.611 0.000 0.860 266 R HN 0.498 nan 8.270 nan 0.000 0.438 267 K N 0.286 120.815 120.400 0.215 0.000 2.400 267 K HA -0.002 4.318 4.320 -0.000 0.000 0.194 267 K C 1.541 178.162 176.600 0.035 0.000 1.033 267 K CA 0.404 56.747 56.287 0.094 0.000 1.021 267 K CB 0.130 32.431 32.500 -0.332 0.000 0.808 267 K HN -0.014 nan 8.250 nan 0.000 0.505 268 L N 0.612 121.866 121.223 0.051 0.000 2.145 268 L HA 0.147 4.487 4.340 -0.000 0.000 0.201 268 L C 1.681 178.586 176.870 0.059 0.000 1.075 268 L CA 1.578 56.435 54.840 0.029 0.000 0.773 268 L CB -0.192 41.873 42.059 0.009 0.000 0.936 268 L HN 0.008 nan 8.230 nan 0.000 0.451 269 K N -0.754 119.707 120.400 0.103 0.000 2.283 269 K HA -0.143 4.176 4.320 -0.000 0.000 0.202 269 K C 1.851 178.525 176.600 0.123 0.000 1.048 269 K CA 0.899 57.254 56.287 0.114 0.000 0.948 269 K CB 0.139 32.733 32.500 0.156 0.000 0.742 269 K HN 0.396 nan 8.250 nan 0.000 0.458 270 E N 0.135 120.429 120.200 0.156 0.000 2.016 270 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 270 E C 1.687 178.334 176.600 0.077 0.000 0.985 270 E CA 0.908 57.397 56.400 0.147 0.000 0.802 270 E CB 0.308 30.140 29.700 0.220 0.000 0.762 270 E HN 0.012 nan 8.360 nan 0.000 0.448 271 K N -0.439 119.988 120.400 0.046 0.000 2.262 271 K HA 0.074 4.394 4.320 -0.000 0.000 0.200 271 K C 0.494 177.104 176.600 0.016 0.000 1.049 271 K CA 0.178 56.477 56.287 0.019 0.000 0.979 271 K CB 0.238 32.733 32.500 -0.009 0.000 0.773 271 K HN 0.063 nan 8.250 nan 0.000 0.474 272 C N 3.948 123.260 119.300 0.021 0.000 2.521 272 C HA 0.376 4.836 4.460 -0.000 0.000 0.291 272 C C -1.688 173.320 174.990 0.029 0.000 1.074 272 C CA -1.871 57.157 59.018 0.017 0.000 1.495 272 C CB 0.704 28.447 27.740 0.005 0.000 1.862 272 C HN 0.192 nan 8.230 nan 0.000 0.418 273 P HA 0.069 nan 4.420 nan 0.000 0.224 273 P C 1.260 178.577 177.300 0.028 0.000 1.157 273 P CA 1.233 64.355 63.100 0.036 0.000 0.799 273 P CB 0.177 31.896 31.700 0.033 0.000 0.809 274 G N -0.555 108.257 108.800 0.020 0.000 2.920 274 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.208 274 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.208 274 G C 0.220 175.129 174.900 0.015 0.000 1.159 274 G CA -0.073 45.037 45.100 0.017 0.000 0.784 274 G HN 0.358 nan 8.290 nan 0.000 0.535 275 C N 2.256 121.565 119.300 0.015 0.000 2.246 275 C HA 0.542 5.002 4.460 -0.000 0.000 0.329 275 C C 0.860 175.856 174.990 0.010 0.000 1.221 275 C CA -1.443 57.581 59.018 0.010 0.000 1.697 275 C CB -0.808 26.934 27.740 0.004 0.000 2.312 275 C HN 0.385 nan 8.230 nan 0.000 0.509 276 R N 5.385 125.890 120.500 0.008 0.000 2.389 276 R HA 0.377 4.717 4.340 -0.000 0.000 0.295 276 R C -0.234 176.059 176.300 -0.010 0.000 1.075 276 R CA -0.204 55.900 56.100 0.005 0.000 1.005 276 R CB 0.567 30.874 30.300 0.012 0.000 0.987 276 R HN 0.612 nan 8.270 nan 0.000 0.452 277 I N 5.241 125.797 120.570 -0.024 0.000 2.315 277 I HA 0.261 4.430 4.170 -0.000 0.000 0.291 277 I C 0.206 176.261 176.117 -0.103 0.000 1.006 277 I CA -0.606 60.658 61.300 -0.061 0.000 1.265 277 I CB 1.012 38.972 38.000 -0.065 0.000 1.387 277 I HN 0.364 nan 8.210 nan 0.000 0.475 278 I N 5.016 125.521 120.570 -0.107 0.000 2.441 278 I HA 0.556 4.726 4.170 -0.000 0.000 0.295 278 I C 0.663 176.638 176.117 -0.238 0.000 0.994 278 I CA -0.492 60.742 61.300 -0.110 0.000 1.144 278 I CB 1.532 39.560 38.000 0.046 0.000 1.314 278 I HN 0.572 nan 8.210 nan 0.000 0.445 279 G N 4.873 113.411 108.800 -0.437 0.000 2.461 279 G HA2 0.594 4.554 3.960 -0.000 0.000 0.323 279 G HA3 0.594 4.554 3.960 -0.000 0.000 0.323 279 G C -1.154 173.585 174.900 -0.269 0.000 1.229 279 G CA -0.362 44.338 45.100 -0.668 0.000 0.941 279 G HN 0.310 nan 8.290 nan 0.000 0.477 280 V N 2.350 122.211 119.914 -0.088 0.000 2.370 280 V HA 0.400 4.519 4.120 -0.000 0.000 0.283 280 V C -0.780 175.434 176.094 0.198 0.000 1.023 280 V CA -0.579 61.781 62.300 0.101 0.000 0.857 280 V CB 1.520 33.342 31.823 -0.001 0.000 0.985 280 V HN 0.760 nan 8.190 nan 0.000 0.443 281 D N 6.047 126.634 120.400 0.312 0.000 2.481 281 D HA 0.543 5.183 4.640 -0.000 0.000 0.244 281 D C -2.743 173.658 176.300 0.168 0.000 1.057 281 D CA -1.765 52.413 54.000 0.296 0.000 0.848 281 D CB 3.137 44.168 40.800 0.385 0.000 1.388 281 D HN 0.259 nan 8.370 nan 0.000 0.475 282 P HA 0.136 nan 4.420 nan 0.000 0.280 282 P C -0.705 176.699 177.300 0.173 0.000 1.244 282 P CA -0.283 62.875 63.100 0.097 0.000 0.784 282 P CB 0.742 32.424 31.700 -0.029 0.000 0.913 283 E N 1.417 121.691 120.200 0.124 0.000 2.351 283 E HA 0.286 4.636 4.350 -0.000 0.000 0.266 283 E C 1.025 177.687 176.600 0.103 0.000 1.031 283 E CA 0.472 56.929 56.400 0.095 0.000 0.911 283 E CB -0.171 29.566 29.700 0.061 0.000 0.986 283 E HN 0.828 nan 8.360 nan 0.000 0.446 284 G N 2.503 111.331 108.800 0.045 0.000 2.183 284 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.168 284 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.168 284 G C 0.090 174.929 174.900 -0.100 0.000 1.008 284 G CA 0.051 45.124 45.100 -0.044 0.000 0.677 284 G HN 0.628 nan 8.290 nan 0.000 0.498 285 S N -0.289 115.418 115.700 0.012 0.000 2.599 285 S HA 0.803 5.272 4.470 -0.000 0.000 0.294 285 S C -0.104 174.483 174.600 -0.022 0.000 1.094 285 S CA -0.385 57.820 58.200 0.009 0.000 0.931 285 S CB 1.957 65.282 63.200 0.209 0.000 1.093 285 S HN 1.472 nan 8.310 nan 0.000 0.488 286 I N 1.197 121.731 120.570 -0.059 0.000 2.697 286 I HA 0.462 4.632 4.170 -0.000 0.000 0.279 286 I C -0.724 175.322 176.117 -0.118 0.000 1.171 286 I CA -0.662 60.583 61.300 -0.092 0.000 1.135 286 I CB 0.183 38.129 38.000 -0.091 0.000 1.445 286 I HN 0.612 nan 8.210 nan 0.000 0.541 287 L N 2.794 123.900 121.223 -0.194 0.000 2.902 287 L HA 0.519 4.859 4.340 -0.000 0.000 0.254 287 L C 1.585 177.867 176.870 -0.980 0.000 1.115 287 L CA 0.178 54.806 54.840 -0.353 0.000 0.947 287 L CB 0.740 42.719 42.059 -0.134 0.000 1.369 287 L HN 0.706 nan 8.230 nan 0.000 0.538 288 A N 0.746 123.027 122.820 -0.898 0.000 2.292 288 A HA 0.363 4.683 4.320 -0.000 0.000 0.265 288 A C -0.161 176.856 177.584 -0.946 0.000 1.133 288 A CA 0.221 51.463 52.037 -1.324 0.000 0.807 288 A CB 0.636 19.427 19.000 -0.349 0.000 1.102 288 A HN 0.258 nan 8.150 nan 0.000 0.502 289 E N -0.818 118.937 120.200 -0.742 0.000 2.347 289 E HA 0.418 4.768 4.350 -0.000 0.000 0.285 289 E C -2.869 173.692 176.600 -0.065 0.000 0.925 289 E CA -1.638 54.585 56.400 -0.295 0.000 0.779 289 E CB 1.735 31.304 29.700 -0.218 0.000 1.233 289 E HN 0.439 nan 8.360 nan 0.000 0.414 290 P HA -0.041 nan 4.420 nan 0.000 0.270 290 P C 0.087 177.336 177.300 -0.086 0.000 1.221 290 P CA 0.148 63.216 63.100 -0.052 0.000 0.788 290 P CB 0.600 32.283 31.700 -0.028 0.000 0.904 291 E N 0.708 120.863 120.200 -0.075 0.000 2.482 291 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 291 E C 1.092 177.658 176.600 -0.057 0.000 1.047 291 E CA 1.014 57.366 56.400 -0.081 0.000 0.869 291 E CB -0.496 29.165 29.700 -0.066 0.000 0.836 291 E HN 0.296 nan 8.360 nan 0.000 0.520 292 E N -0.266 119.908 120.200 -0.043 0.000 2.265 292 E HA -0.089 4.260 4.350 -0.000 0.000 0.196 292 E C 1.596 178.181 176.600 -0.026 0.000 0.996 292 E CA 0.763 57.146 56.400 -0.028 0.000 0.832 292 E CB -0.034 29.654 29.700 -0.020 0.000 0.756 292 E HN 0.344 nan 8.360 nan 0.000 0.491 293 L N 0.628 121.830 121.223 -0.035 0.000 1.993 293 L HA -0.062 4.277 4.340 -0.000 0.000 0.206 293 L C 0.823 177.680 176.870 -0.022 0.000 1.074 293 L CA 0.779 55.607 54.840 -0.021 0.000 0.746 293 L CB -0.356 41.690 42.059 -0.021 0.000 0.896 293 L HN 0.118 nan 8.230 nan 0.000 0.435 294 N N 1.675 120.345 118.700 -0.050 0.000 3.210 294 N HA -0.038 4.702 4.740 -0.000 0.000 0.314 294 N C -0.021 175.462 175.510 -0.045 0.000 1.291 294 N CA 0.150 53.170 53.050 -0.050 0.000 1.202 294 N CB 0.208 38.642 38.487 -0.088 0.000 1.475 294 N HN 0.255 nan 8.380 nan 0.000 0.554 295 Q N 1.447 121.229 119.800 -0.030 0.000 2.644 295 Q HA 0.218 4.558 4.340 -0.000 0.000 0.245 295 Q C -0.925 175.063 176.000 -0.020 0.000 1.064 295 Q CA -0.140 55.647 55.803 -0.027 0.000 0.860 295 Q CB 0.789 29.513 28.738 -0.022 0.000 1.145 295 Q HN 0.294 nan 8.270 nan 0.000 0.515 296 T N 0.084 114.622 114.554 -0.026 0.000 2.883 296 T HA 0.374 4.724 4.350 -0.000 0.000 0.296 296 T C 0.389 175.068 174.700 -0.034 0.000 1.117 296 T CA -0.301 61.785 62.100 -0.023 0.000 1.006 296 T CB 1.179 70.037 68.868 -0.016 0.000 1.191 296 T HN 0.384 nan 8.240 nan 0.000 0.508 297 E N 0.667 120.848 120.200 -0.031 0.000 2.442 297 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 297 E C 1.670 178.239 176.600 -0.052 0.000 1.030 297 E CA 0.339 56.716 56.400 -0.038 0.000 0.869 297 E CB 0.412 30.094 29.700 -0.030 0.000 0.857 297 E HN 0.573 nan 8.360 nan 0.000 0.505 298 Q N -0.160 119.607 119.800 -0.054 0.000 1.961 298 Q HA -0.040 4.300 4.340 -0.000 0.000 0.197 298 Q C 0.930 176.859 176.000 -0.120 0.000 0.977 298 Q CA 1.502 57.262 55.803 -0.071 0.000 0.830 298 Q CB 0.339 29.047 28.738 -0.050 0.000 0.896 298 Q HN 0.112 nan 8.270 nan 0.000 0.437 299 T N -1.126 113.323 114.554 -0.175 0.000 13.920 299 T HA -0.145 4.205 4.350 -0.000 0.000 0.415 299 T C 0.004 174.433 174.700 -0.452 0.000 1.476 299 T CA 1.065 63.009 62.100 -0.260 0.000 2.399 299 T CB -1.361 67.390 68.868 -0.196 0.000 2.712 299 T HN 0.558 nan 8.240 nan 0.000 0.273 300 T N 2.349 116.681 114.554 -0.370 0.000 2.795 300 T HA 0.734 5.084 4.350 -0.000 0.000 0.282 300 T C -0.507 174.027 174.700 -0.276 0.000 0.980 300 T CA -0.584 61.266 62.100 -0.416 0.000 1.012 300 T CB 1.023 69.773 68.868 -0.196 0.000 0.936 300 T HN 0.602 nan 8.240 nan 0.000 0.457 301 Y N 0.929 121.215 120.300 -0.023 0.000 2.675 301 Y HA 0.723 5.273 4.550 -0.000 0.000 0.328 301 Y C 0.931 176.839 175.900 0.012 0.000 1.092 301 Y CA -2.071 56.016 58.100 -0.023 0.000 1.190 301 Y CB 0.355 38.788 38.460 -0.044 0.000 1.350 301 Y HN 0.452 nan 8.280 nan 0.000 0.525 302 E N -0.037 120.303 120.200 0.233 0.000 2.364 302 E HA 0.152 4.502 4.350 -0.000 0.000 0.196 302 E C -0.117 176.585 176.600 0.170 0.000 0.990 302 E CA 0.239 56.784 56.400 0.241 0.000 0.886 302 E CB 0.446 30.345 29.700 0.332 0.000 0.866 302 E HN 0.398 nan 8.360 nan 0.000 0.493 303 V N 3.400 123.248 119.914 -0.109 0.000 2.479 303 V HA -0.006 4.114 4.120 -0.000 0.000 0.281 303 V C 0.585 176.661 176.094 -0.030 0.000 1.031 303 V CA 0.214 62.441 62.300 -0.121 0.000 1.038 303 V CB 0.356 31.968 31.823 -0.352 0.000 0.981 303 V HN 0.022 nan 8.190 nan 0.000 0.478 304 E N 3.217 123.504 120.200 0.145 0.000 2.343 304 E HA 0.503 4.853 4.350 -0.000 0.000 0.269 304 E C 1.185 177.820 176.600 0.058 0.000 1.047 304 E CA 0.397 56.817 56.400 0.033 0.000 0.874 304 E CB 1.220 30.821 29.700 -0.165 0.000 1.033 304 E HN 0.934 nan 8.360 nan 0.000 0.409 305 G N 2.130 110.949 108.800 0.031 0.000 2.217 305 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.246 305 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.246 305 G C 0.288 175.202 174.900 0.024 0.000 0.990 305 G CA 0.396 45.522 45.100 0.043 0.000 0.627 305 G HN 0.584 nan 8.290 nan 0.000 0.522 306 I N -2.153 118.388 120.570 -0.049 0.000 2.693 306 I HA 0.803 4.973 4.170 -0.000 0.000 0.303 306 I C 0.864 176.979 176.117 -0.003 0.000 1.025 306 I CA -0.451 60.821 61.300 -0.046 0.000 1.086 306 I CB 1.934 39.869 38.000 -0.110 0.000 1.268 306 I HN 1.682 nan 8.210 nan 0.000 0.440 307 G N 2.131 111.016 108.800 0.143 0.000 2.796 307 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.226 307 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.226 307 G C -1.448 173.716 174.900 0.440 0.000 1.381 307 G CA 0.175 45.446 45.100 0.285 0.000 0.867 307 G HN 1.271 nan 8.290 nan 0.000 0.552 308 Y N -1.109 119.289 120.300 0.162 0.000 2.687 308 Y HA 0.399 4.948 4.550 -0.000 0.000 0.338 308 Y C 0.837 176.621 175.900 -0.192 0.000 1.189 308 Y CA -0.066 58.039 58.100 0.009 0.000 1.097 308 Y CB 0.297 38.782 38.460 0.041 0.000 1.342 308 Y HN 0.617 nan 8.280 nan 0.000 0.461 309 D N 1.422 121.279 120.400 -0.905 0.000 2.117 309 D HA -0.024 4.615 4.640 -0.000 0.000 0.198 309 D C -0.049 175.804 176.300 -0.746 0.000 0.982 309 D CA 2.015 55.452 54.000 -0.939 0.000 0.828 309 D CB 0.067 40.071 40.800 -1.327 0.000 0.967 309 D HN 0.189 nan 8.370 nan 0.000 0.464 310 F N -0.579 119.278 119.950 -0.156 0.000 2.697 310 F HA 0.478 5.005 4.527 -0.000 0.000 0.386 310 F C 0.129 175.974 175.800 0.075 0.000 1.154 310 F CA -1.639 56.338 58.000 -0.038 0.000 1.108 310 F CB 0.323 39.301 39.000 -0.037 0.000 1.429 310 F HN -0.359 nan 8.300 nan 0.000 0.509 311 I N 2.633 123.410 120.570 0.344 0.000 2.308 311 I HA 0.234 4.404 4.170 -0.000 0.000 0.293 311 I C -2.337 173.948 176.117 0.280 0.000 1.078 311 I CA -1.567 59.875 61.300 0.237 0.000 1.292 311 I CB 0.424 38.498 38.000 0.124 0.000 1.423 311 I HN 0.086 nan 8.210 nan 0.000 0.493 312 P HA -0.056 nan 4.420 nan 0.000 0.260 312 P C 0.403 177.829 177.300 0.210 0.000 1.172 312 P CA 0.220 63.509 63.100 0.316 0.000 0.760 312 P CB 0.240 32.163 31.700 0.372 0.000 0.773 313 T N 0.789 115.446 114.554 0.172 0.000 4.508 313 T HA 0.407 4.757 4.350 -0.000 0.000 0.232 313 T C 0.248 175.009 174.700 0.102 0.000 1.027 313 T CA -0.362 61.805 62.100 0.113 0.000 0.999 313 T CB -1.276 67.637 68.868 0.075 0.000 1.402 313 T HN 0.305 nan 8.240 nan 0.000 1.003 314 V N -1.444 118.534 119.914 0.108 0.000 3.278 314 V HA 0.799 4.919 4.120 -0.000 0.000 0.288 314 V C -1.177 174.973 176.094 0.093 0.000 1.514 314 V CA -1.780 60.562 62.300 0.070 0.000 1.051 314 V CB 1.201 33.055 31.823 0.052 0.000 1.163 314 V HN 1.014 nan 8.190 nan 0.000 0.458 315 L N 0.254 121.521 121.223 0.073 0.000 1.827 315 L HA 0.147 4.487 4.340 -0.000 0.000 0.479 315 L C -1.241 175.706 176.870 0.128 0.000 1.002 315 L CA 1.334 56.247 54.840 0.121 0.000 1.221 315 L CB -0.762 41.408 42.059 0.185 0.000 1.417 315 L HN 1.380 nan 8.230 nan 0.000 0.749 316 D N 4.723 125.202 120.400 0.131 0.000 2.446 316 D HA 0.413 5.053 4.640 -0.000 0.000 0.251 316 D C 1.006 177.433 176.300 0.212 0.000 1.137 316 D CA -0.490 53.597 54.000 0.145 0.000 0.890 316 D CB 0.863 41.722 40.800 0.098 0.000 1.071 316 D HN 0.644 nan 8.370 nan 0.000 0.528 317 R N 0.952 121.603 120.500 0.252 0.000 2.377 317 R HA -0.020 4.320 4.340 -0.000 0.000 0.207 317 R C 1.664 178.152 176.300 0.314 0.000 1.075 317 R CA 0.923 57.252 56.100 0.382 0.000 1.035 317 R CB 0.117 30.561 30.300 0.240 0.000 0.857 317 R HN 0.325 nan 8.270 nan 0.000 0.475 318 T N -0.216 114.471 114.554 0.222 0.000 2.732 318 T HA -0.097 4.253 4.350 -0.000 0.000 0.261 318 T C 1.930 176.739 174.700 0.181 0.000 1.040 318 T CA 1.617 63.832 62.100 0.192 0.000 1.145 318 T CB -0.101 68.888 68.868 0.201 0.000 0.866 318 T HN 0.154 nan 8.240 nan 0.000 0.427 319 V N 0.613 120.633 119.914 0.176 0.000 2.515 319 V HA 0.035 4.154 4.120 -0.000 0.000 0.250 319 V C 1.468 177.601 176.094 0.066 0.000 1.058 319 V CA 0.198 62.581 62.300 0.137 0.000 1.064 319 V CB -1.410 30.478 31.823 0.108 0.000 0.675 319 V HN 0.204 nan 8.190 nan 0.000 0.461 320 V N 2.634 122.583 119.914 0.058 0.000 2.583 320 V HA -0.115 4.004 4.120 -0.000 0.000 0.302 320 V C 1.607 177.687 176.094 -0.023 0.000 1.033 320 V CA 1.034 63.279 62.300 -0.090 0.000 1.194 320 V CB 0.125 31.808 31.823 -0.234 0.000 0.879 320 V HN 0.508 nan 8.190 nan 0.000 0.482 321 D N 3.361 123.720 120.400 -0.070 0.000 2.162 321 D HA 0.046 4.686 4.640 -0.000 0.000 0.203 321 D C 0.885 177.170 176.300 -0.026 0.000 0.967 321 D CA 1.105 55.095 54.000 -0.017 0.000 0.840 321 D CB 0.538 41.330 40.800 -0.014 0.000 0.972 321 D HN 0.594 nan 8.370 nan 0.000 0.482 322 K N -0.909 119.420 120.400 -0.118 0.000 2.556 322 K HA 0.267 4.587 4.320 -0.000 0.000 0.274 322 K C -1.881 174.548 176.600 -0.285 0.000 0.966 322 K CA -0.678 55.536 56.287 -0.121 0.000 0.865 322 K CB 1.585 33.994 32.500 -0.152 0.000 1.444 322 K HN -0.221 nan 8.250 nan 0.000 0.433 323 W N 1.423 122.597 121.300 -0.210 0.000 2.736 323 W HA 0.628 5.288 4.660 -0.000 0.000 0.355 323 W C -0.887 175.415 176.519 -0.361 0.000 1.102 323 W CA -0.362 56.893 57.345 -0.149 0.000 1.164 323 W CB 1.251 30.667 29.460 -0.073 0.000 1.422 323 W HN 0.312 nan 8.180 nan 0.000 0.572 324 F N 1.209 121.307 119.950 0.246 0.000 2.605 324 F HA 0.290 4.817 4.527 -0.000 0.000 0.320 324 F C -0.177 175.699 175.800 0.127 0.000 1.159 324 F CA -1.270 56.804 58.000 0.123 0.000 0.999 324 F CB 1.668 40.683 39.000 0.026 0.000 1.258 324 F HN -0.081 nan 8.300 nan 0.000 0.464 325 K N 3.023 123.598 120.400 0.291 0.000 2.267 325 K HA 0.432 4.752 4.320 -0.000 0.000 0.282 325 K C -0.060 176.619 176.600 0.131 0.000 1.078 325 K CA -0.391 56.006 56.287 0.184 0.000 0.903 325 K CB 1.349 33.924 32.500 0.125 0.000 1.111 325 K HN 0.672 nan 8.250 nan 0.000 0.475 326 S N 2.030 117.775 115.700 0.075 0.000 2.719 326 S HA 0.382 4.851 4.470 -0.000 0.000 0.285 326 S C -0.063 174.532 174.600 -0.007 0.000 1.137 326 S CA -0.798 57.398 58.200 -0.005 0.000 1.012 326 S CB 0.921 64.073 63.200 -0.080 0.000 1.134 326 S HN 0.720 nan 8.310 nan 0.000 0.544 327 N N -1.229 117.448 118.700 -0.039 0.000 2.577 327 N HA 0.421 5.161 4.740 -0.000 0.000 0.285 327 N C -0.256 175.198 175.510 -0.093 0.000 1.309 327 N CA -0.746 52.284 53.050 -0.032 0.000 0.798 327 N CB 0.440 38.926 38.487 -0.001 0.000 1.463 327 N HN 0.376 nan 8.380 nan 0.000 0.518 328 D N -0.745 119.589 120.400 -0.110 0.000 2.117 328 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 328 D C 1.036 177.221 176.300 -0.193 0.000 0.987 328 D CA 1.383 55.226 54.000 -0.261 0.000 0.829 328 D CB 0.124 40.801 40.800 -0.205 0.000 0.961 328 D HN 0.741 nan 8.370 nan 0.000 0.460 329 E N 0.635 120.833 120.200 -0.003 0.000 2.166 329 E HA -0.052 4.297 4.350 -0.000 0.000 0.192 329 E C 1.758 178.473 176.600 0.192 0.000 0.967 329 E CA 0.516 57.014 56.400 0.164 0.000 0.840 329 E CB -0.080 29.710 29.700 0.149 0.000 0.795 329 E HN 0.251 nan 8.360 nan 0.000 0.470 330 E N -0.051 120.222 120.200 0.121 0.000 2.097 330 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 330 E C 1.710 178.405 176.600 0.158 0.000 1.000 330 E CA 1.367 57.859 56.400 0.154 0.000 0.804 330 E CB -0.149 29.575 29.700 0.039 0.000 0.740 330 E HN 0.293 nan 8.360 nan 0.000 0.454 331 A N 0.121 122.964 122.820 0.038 0.000 1.970 331 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 331 A C 1.921 179.645 177.584 0.232 0.000 1.170 331 A CA 0.564 52.608 52.037 0.011 0.000 0.645 331 A CB -0.612 18.297 19.000 -0.152 0.000 0.816 331 A HN 0.415 nan 8.150 nan 0.000 0.447 332 F N 0.601 120.585 119.950 0.056 0.000 2.615 332 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 332 F C 2.722 178.681 175.800 0.265 0.000 1.124 332 F CA 0.913 58.988 58.000 0.124 0.000 1.451 332 F CB 0.129 39.257 39.000 0.213 0.000 1.103 332 F HN 0.428 nan 8.300 nan 0.000 0.569 333 T N -2.067 112.734 114.554 0.412 0.000 2.781 333 T HA -0.130 4.220 4.350 -0.000 0.000 0.252 333 T C 1.627 176.472 174.700 0.242 0.000 1.039 333 T CA 0.645 62.916 62.100 0.286 0.000 1.147 333 T CB -1.034 67.970 68.868 0.227 0.000 0.865 333 T HN 0.024 nan 8.240 nan 0.000 0.423 334 F N 2.690 122.701 119.950 0.101 0.000 2.192 334 F HA 0.043 4.570 4.527 -0.000 0.000 0.301 334 F C 2.923 178.763 175.800 0.067 0.000 1.079 334 F CA 0.757 58.788 58.000 0.051 0.000 1.303 334 F CB -0.988 37.999 39.000 -0.021 0.000 1.024 334 F HN 0.288 nan 8.300 nan 0.000 0.494 335 A N 0.722 123.729 122.820 0.311 0.000 1.849 335 A HA -0.250 4.069 4.320 -0.000 0.000 0.217 335 A C 2.354 180.078 177.584 0.233 0.000 1.202 335 A CA 2.048 54.254 52.037 0.282 0.000 0.629 335 A CB -0.784 18.445 19.000 0.381 0.000 0.834 335 A HN 0.333 nan 8.150 nan 0.000 0.447 336 R N -1.011 119.611 120.500 0.203 0.000 2.241 336 R HA -0.052 4.288 4.340 -0.000 0.000 0.224 336 R C 2.096 178.388 176.300 -0.015 0.000 1.101 336 R CA 1.314 57.405 56.100 -0.014 0.000 0.995 336 R CB -0.500 29.761 30.300 -0.064 0.000 0.870 336 R HN 0.735 nan 8.270 nan 0.000 0.463 337 M N 0.593 120.205 119.600 0.020 0.000 2.349 337 M HA -0.023 4.457 4.480 -0.000 0.000 0.266 337 M C 1.587 177.889 176.300 0.004 0.000 1.076 337 M CA 1.223 56.510 55.300 -0.021 0.000 1.126 337 M CB 0.224 32.764 32.600 -0.100 0.000 1.392 337 M HN 0.053 nan 8.290 nan 0.000 0.440 338 L N -0.058 121.190 121.223 0.040 0.000 2.313 338 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 338 L C 1.885 178.756 176.870 0.001 0.000 1.119 338 L CA 0.635 55.502 54.840 0.045 0.000 0.809 338 L CB -0.194 41.907 42.059 0.071 0.000 0.933 338 L HN 0.322 nan 8.230 nan 0.000 0.449 339 I N -1.033 119.517 120.570 -0.032 0.000 2.716 339 I HA -0.061 4.109 4.170 -0.000 0.000 0.259 339 I C 2.373 178.456 176.117 -0.056 0.000 1.172 339 I CA 0.792 62.046 61.300 -0.077 0.000 1.478 339 I CB -0.241 37.680 38.000 -0.132 0.000 1.104 339 I HN 0.138 nan 8.210 nan 0.000 0.439 340 A N -0.055 122.741 122.820 -0.040 0.000 1.993 340 A HA 0.065 4.385 4.320 -0.000 0.000 0.207 340 A C 2.070 179.645 177.584 -0.015 0.000 1.224 340 A CA 0.356 52.373 52.037 -0.033 0.000 0.749 340 A CB 0.002 18.978 19.000 -0.040 0.000 0.884 340 A HN 0.335 nan 8.150 nan 0.000 0.467 341 Q N -1.415 118.382 119.800 -0.005 0.000 2.319 341 Q HA 0.124 4.464 4.340 -0.000 0.000 0.209 341 Q C 0.818 176.831 176.000 0.023 0.000 0.884 341 Q CA 0.383 56.190 55.803 0.007 0.000 0.938 341 Q CB 0.613 29.355 28.738 0.008 0.000 1.098 341 Q HN 0.418 nan 8.270 nan 0.000 0.517 342 E N -0.927 119.290 120.200 0.028 0.000 2.500 342 E HA 0.147 4.497 4.350 -0.000 0.000 0.217 342 E C 0.562 177.194 176.600 0.052 0.000 0.848 342 E CA 0.658 57.087 56.400 0.048 0.000 1.217 342 E CB 1.136 30.876 29.700 0.067 0.000 1.217 342 E HN 0.242 nan 8.360 nan 0.000 0.573 343 G N 1.332 110.150 108.800 0.029 0.000 2.160 343 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 343 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 343 G C -0.139 174.788 174.900 0.044 0.000 1.022 343 G CA 0.433 45.550 45.100 0.030 0.000 0.741 343 G HN 0.167 nan 8.290 nan 0.000 0.508 344 L N 0.779 122.011 121.223 0.015 0.000 2.288 344 L HA 0.410 4.750 4.340 -0.000 0.000 0.283 344 L C 1.161 177.842 176.870 -0.316 0.000 1.072 344 L CA -0.703 54.120 54.840 -0.028 0.000 0.862 344 L CB 0.974 43.092 42.059 0.098 0.000 1.245 344 L HN 0.077 nan 8.230 nan 0.000 0.432 345 L N 3.965 124.917 121.223 -0.452 0.000 2.544 345 L HA 0.061 4.401 4.340 -0.000 0.000 0.240 345 L C 0.591 176.969 176.870 -0.820 0.000 1.421 345 L CA -0.366 54.174 54.840 -0.500 0.000 1.206 345 L CB -0.921 40.942 42.059 -0.327 0.000 1.463 345 L HN 0.716 nan 8.230 nan 0.000 0.437 346 C N -2.011 116.828 119.300 -0.768 0.000 2.423 346 C HA 0.927 5.387 4.460 -0.000 0.000 0.378 346 C C 1.125 175.964 174.990 -0.253 0.000 1.244 346 C CA -0.680 57.956 59.018 -0.638 0.000 1.978 346 C CB 0.601 28.046 27.740 -0.491 0.000 2.252 346 C HN 0.506 nan 8.230 nan 0.000 0.526 347 G N -0.226 108.397 108.800 -0.296 0.000 2.531 347 G HA2 0.473 4.433 3.960 -0.000 0.000 0.281 347 G HA3 0.473 4.433 3.960 -0.000 0.000 0.281 347 G C 0.952 175.321 174.900 -0.886 0.000 1.382 347 G CA -0.063 44.596 45.100 -0.735 0.000 1.045 347 G HN 1.424 nan 8.290 nan 0.000 0.533 348 G N -0.618 107.207 108.800 -1.624 0.000 2.534 348 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.217 348 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.217 348 G C 2.026 176.710 174.900 -0.360 0.000 1.128 348 G CA 1.655 46.256 45.100 -0.831 0.000 0.784 348 G HN 0.815 nan 8.290 nan 0.000 0.542 349 S N 1.642 117.136 115.700 -0.344 0.000 2.359 349 S HA -0.099 4.371 4.470 -0.000 0.000 0.223 349 S C 2.623 177.157 174.600 -0.111 0.000 1.039 349 S CA 1.635 59.761 58.200 -0.123 0.000 1.042 349 S CB -0.776 62.412 63.200 -0.020 0.000 0.915 349 S HN 0.567 nan 8.310 nan 0.000 0.439 350 A N 2.001 124.759 122.820 -0.104 0.000 1.972 350 A HA 0.232 4.551 4.320 -0.000 0.000 0.219 350 A C 2.373 179.919 177.584 -0.064 0.000 1.169 350 A CA 1.569 53.578 52.037 -0.047 0.000 0.635 350 A CB -1.750 17.259 19.000 0.014 0.000 0.810 350 A HN 0.671 nan 8.150 nan 0.000 0.446 351 G N -0.498 108.252 108.800 -0.083 0.000 2.480 351 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 351 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 351 G C 1.834 176.660 174.900 -0.123 0.000 1.200 351 G CA 1.291 46.370 45.100 -0.034 0.000 0.782 351 G HN 0.476 nan 8.290 nan 0.000 0.554 352 S N 0.515 116.130 115.700 -0.141 0.000 2.387 352 S HA -0.176 4.294 4.470 -0.000 0.000 0.230 352 S C 2.636 177.114 174.600 -0.202 0.000 1.035 352 S CA 2.025 60.120 58.200 -0.176 0.000 1.014 352 S CB -0.576 62.533 63.200 -0.151 0.000 0.836 352 S HN 0.669 nan 8.310 nan 0.000 0.466 353 T N 1.528 115.986 114.554 -0.161 0.000 2.614 353 T HA -0.049 4.301 4.350 -0.000 0.000 0.263 353 T C 1.896 176.471 174.700 -0.210 0.000 1.055 353 T CA 1.399 63.404 62.100 -0.157 0.000 1.162 353 T CB -0.883 67.923 68.868 -0.104 0.000 0.863 353 T HN 0.229 nan 8.240 nan 0.000 0.414 354 V N 2.313 122.118 119.914 -0.182 0.000 2.490 354 V HA -0.104 4.015 4.120 -0.000 0.000 0.250 354 V C 3.071 178.883 176.094 -0.470 0.000 1.061 354 V CA 1.414 63.596 62.300 -0.198 0.000 1.064 354 V CB -1.432 30.370 31.823 -0.034 0.000 0.670 354 V HN 0.641 nan 8.190 nan 0.000 0.461 355 A N -0.798 121.587 122.820 -0.725 0.000 2.131 355 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 355 A C 2.282 179.321 177.584 -0.907 0.000 1.158 355 A CA 1.940 53.126 52.037 -1.418 0.000 0.665 355 A CB -0.306 18.053 19.000 -1.069 0.000 0.795 355 A HN 0.384 nan 8.150 nan 0.000 0.460 356 V N -1.569 117.991 119.914 -0.590 0.000 2.922 356 V HA 0.062 4.181 4.120 -0.000 0.000 0.242 356 V C 2.775 178.570 176.094 -0.499 0.000 1.094 356 V CA 0.998 62.966 62.300 -0.554 0.000 1.106 356 V CB -0.261 31.262 31.823 -0.499 0.000 0.799 356 V HN 0.530 nan 8.190 nan 0.000 0.474 357 A N 0.873 123.474 122.820 -0.366 0.000 2.032 357 A HA -0.171 4.148 4.320 -0.000 0.000 0.221 357 A C 2.134 179.587 177.584 -0.219 0.000 1.165 357 A CA 2.133 54.021 52.037 -0.248 0.000 0.645 357 A CB -0.659 18.241 19.000 -0.168 0.000 0.807 357 A HN 0.719 nan 8.150 nan 0.000 0.453 358 V N -3.160 116.584 119.914 -0.283 0.000 3.510 358 V HA 0.053 4.173 4.120 -0.000 0.000 0.270 358 V C 1.618 177.618 176.094 -0.158 0.000 1.201 358 V CA 2.069 64.241 62.300 -0.213 0.000 1.166 358 V CB -0.601 30.962 31.823 -0.433 0.000 0.825 358 V HN 0.566 nan 8.190 nan 0.000 0.484 359 K N 0.226 120.478 120.400 -0.246 0.000 2.354 359 K HA 0.411 4.731 4.320 -0.000 0.000 0.210 359 K C 2.245 178.742 176.600 -0.171 0.000 1.184 359 K CA 0.816 56.981 56.287 -0.202 0.000 0.880 359 K CB 0.013 32.320 32.500 -0.321 0.000 1.328 359 K HN 0.318 nan 8.250 nan 0.000 0.466 360 A N 1.307 123.933 122.820 -0.323 0.000 1.940 360 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 360 A C 2.094 179.679 177.584 0.001 0.000 1.176 360 A CA 2.026 54.001 52.037 -0.103 0.000 0.631 360 A CB -0.676 18.244 19.000 -0.132 0.000 0.814 360 A HN 0.434 nan 8.150 nan 0.000 0.446 361 A N -1.419 121.375 122.820 -0.044 0.000 2.238 361 A HA 0.047 4.367 4.320 -0.000 0.000 0.208 361 A C 1.697 179.290 177.584 0.014 0.000 1.177 361 A CA 0.569 52.601 52.037 -0.008 0.000 0.804 361 A CB -0.289 18.698 19.000 -0.022 0.000 0.823 361 A HN 0.460 nan 8.150 nan 0.000 0.482 362 Q N 0.437 120.249 119.800 0.020 0.000 2.508 362 Q HA -0.169 4.171 4.340 -0.000 0.000 0.214 362 Q C 1.013 177.037 176.000 0.041 0.000 0.979 362 Q CA 1.418 57.243 55.803 0.038 0.000 0.911 362 Q CB -0.157 28.609 28.738 0.047 0.000 0.969 362 Q HN 1.016 nan 8.270 nan 0.000 0.504 363 E N -0.740 119.485 120.200 0.041 0.000 2.419 363 E HA 0.118 4.468 4.350 -0.000 0.000 0.190 363 E C -0.190 176.428 176.600 0.031 0.000 1.040 363 E CA -0.114 56.310 56.400 0.039 0.000 0.900 363 E CB 0.368 30.096 29.700 0.047 0.000 1.054 363 E HN -0.038 nan 8.360 nan 0.000 0.462 364 L N 1.457 122.696 121.223 0.027 0.000 2.362 364 L HA 0.464 4.803 4.340 -0.000 0.000 0.271 364 L C 0.147 177.030 176.870 0.022 0.000 1.002 364 L CA -0.680 54.173 54.840 0.022 0.000 0.818 364 L CB 1.524 43.593 42.059 0.017 0.000 1.298 364 L HN 0.152 nan 8.230 nan 0.000 0.420 365 Q N 0.517 120.329 119.800 0.019 0.000 2.699 365 Q HA 0.339 4.679 4.340 -0.000 0.000 0.240 365 Q C -0.600 175.409 176.000 0.016 0.000 1.033 365 Q CA -1.021 54.793 55.803 0.019 0.000 0.938 365 Q CB 1.399 30.147 28.738 0.017 0.000 1.312 365 Q HN 0.408 nan 8.270 nan 0.000 0.507 366 E N 0.354 120.563 120.200 0.015 0.000 2.585 366 E HA 0.048 4.397 4.350 -0.000 0.000 0.252 366 E C 0.474 177.081 176.600 0.011 0.000 0.981 366 E CA 1.091 57.499 56.400 0.013 0.000 0.943 366 E CB -0.077 29.630 29.700 0.012 0.000 0.923 366 E HN 0.893 nan 8.360 nan 0.000 0.486 367 G N 2.941 111.747 108.800 0.010 0.000 2.163 367 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.213 367 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.213 367 G C 0.048 174.952 174.900 0.008 0.000 0.991 367 G CA -0.276 44.829 45.100 0.008 0.000 0.653 367 G HN 0.445 nan 8.290 nan 0.000 0.518 368 Q N -0.236 119.569 119.800 0.009 0.000 2.337 368 Q HA 0.623 4.962 4.340 -0.000 0.000 0.266 368 Q C -0.043 175.960 176.000 0.006 0.000 1.023 368 Q CA -0.777 55.030 55.803 0.008 0.000 0.829 368 Q CB 2.063 30.807 28.738 0.010 0.000 1.306 368 Q HN 0.306 nan 8.270 nan 0.000 0.449 369 R N 0.626 121.128 120.500 0.003 0.000 2.598 369 R HA 0.551 4.890 4.340 -0.000 0.000 0.279 369 R C -1.266 175.032 176.300 -0.004 0.000 0.984 369 R CA -0.298 55.802 56.100 -0.000 0.000 0.999 369 R CB 1.266 31.564 30.300 -0.003 0.000 1.114 369 R HN 0.666 nan 8.270 nan 0.000 0.493 370 C N 4.405 123.702 119.300 -0.006 0.000 2.381 370 C HA 0.531 4.991 4.460 -0.000 0.000 0.328 370 C C -0.739 174.239 174.990 -0.020 0.000 1.190 370 C CA -0.502 58.508 59.018 -0.014 0.000 1.369 370 C CB 0.449 28.180 27.740 -0.015 0.000 2.029 370 C HN 0.556 nan 8.230 nan 0.000 0.448 371 V N 6.325 126.223 119.914 -0.027 0.000 2.644 371 V HA 0.705 4.825 4.120 -0.000 0.000 0.295 371 V C 0.008 176.076 176.094 -0.044 0.000 1.053 371 V CA -0.166 62.115 62.300 -0.033 0.000 0.987 371 V CB 1.785 33.586 31.823 -0.037 0.000 1.006 371 V HN 0.749 nan 8.190 nan 0.000 0.472 372 V N 4.835 124.723 119.914 -0.044 0.000 2.971 372 V HA 0.522 4.641 4.120 -0.000 0.000 0.309 372 V C -0.924 175.139 176.094 -0.051 0.000 1.130 372 V CA -0.586 61.682 62.300 -0.054 0.000 0.964 372 V CB 2.232 34.025 31.823 -0.050 0.000 1.029 372 V HN 0.666 nan 8.190 nan 0.000 0.427 373 I N 4.380 124.912 120.570 -0.063 0.000 2.437 373 I HA 0.483 4.653 4.170 -0.000 0.000 0.298 373 I C -0.306 175.793 176.117 -0.030 0.000 0.984 373 I CA -0.169 61.094 61.300 -0.063 0.000 1.214 373 I CB 1.474 39.417 38.000 -0.095 0.000 1.365 373 I HN 0.337 nan 8.210 nan 0.000 0.469 374 L N 7.680 128.904 121.223 0.002 0.000 2.384 374 L HA 0.367 4.707 4.340 -0.000 0.000 0.261 374 L C -1.897 175.034 176.870 0.102 0.000 1.024 374 L CA -1.399 53.496 54.840 0.092 0.000 0.899 374 L CB 1.052 43.273 42.059 0.270 0.000 1.243 374 L HN 0.367 nan 8.230 nan 0.000 0.449 375 P HA -0.216 nan 4.420 nan 0.000 0.214 375 P C -0.204 177.169 177.300 0.121 0.000 1.172 375 P CA 1.622 64.757 63.100 0.058 0.000 0.925 375 P CB 0.141 31.866 31.700 0.042 0.000 0.793 376 D N -3.094 117.405 120.400 0.165 0.000 2.566 376 D HA 0.295 4.935 4.640 -0.000 0.000 0.254 376 D C -0.146 176.249 176.300 0.159 0.000 1.090 376 D CA -0.776 53.340 54.000 0.193 0.000 1.034 376 D CB 0.507 41.423 40.800 0.194 0.000 1.434 376 D HN 0.042 nan 8.370 nan 0.000 0.509 377 S N -1.068 114.694 115.700 0.103 0.000 2.625 377 S HA 0.235 4.705 4.470 -0.000 0.000 0.262 377 S C 1.237 175.795 174.600 -0.070 0.000 1.223 377 S CA 0.146 58.285 58.200 -0.101 0.000 0.993 377 S CB 0.342 63.517 63.200 -0.042 0.000 1.051 377 S HN 0.904 nan 8.310 nan 0.000 0.562 378 V N -1.110 118.734 119.914 -0.117 0.000 3.542 378 V HA 0.393 4.513 4.120 -0.000 0.000 0.296 378 V C 2.161 178.282 176.094 0.045 0.000 1.364 378 V CA 0.424 62.708 62.300 -0.026 0.000 1.118 378 V CB -1.070 30.666 31.823 -0.145 0.000 0.972 378 V HN 0.866 nan 8.190 nan 0.000 0.430 379 R N 1.115 121.641 120.500 0.043 0.000 2.062 379 R HA -0.087 4.253 4.340 -0.000 0.000 0.229 379 R C 2.147 178.482 176.300 0.057 0.000 1.128 379 R CA 1.663 57.788 56.100 0.043 0.000 0.960 379 R CB -0.202 30.118 30.300 0.034 0.000 0.855 379 R HN 0.550 nan 8.270 nan 0.000 0.432 380 N N 0.084 118.830 118.700 0.077 0.000 2.149 380 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 380 N C 0.401 175.831 175.510 -0.132 0.000 1.019 380 N CA 1.318 54.335 53.050 -0.054 0.000 0.857 380 N CB -0.123 38.299 38.487 -0.107 0.000 0.997 380 N HN 0.309 nan 8.380 nan 0.000 0.426 381 Y N 0.092 120.377 120.300 -0.024 0.000 2.756 381 Y HA 0.296 4.846 4.550 -0.000 0.000 0.300 381 Y C 1.579 177.426 175.900 -0.089 0.000 1.113 381 Y CA -0.422 57.662 58.100 -0.028 0.000 1.291 381 Y CB -0.146 38.393 38.460 0.131 0.000 1.175 381 Y HN -0.111 nan 8.280 nan 0.000 0.534 382 M N -0.419 119.201 119.600 0.035 0.000 2.065 382 M HA -0.164 4.315 4.480 -0.000 0.000 0.259 382 M C 1.368 177.618 176.300 -0.083 0.000 1.071 382 M CA 1.738 57.021 55.300 -0.028 0.000 1.109 382 M CB -1.155 31.466 32.600 0.035 0.000 1.313 382 M HN 0.135 nan 8.290 nan 0.000 0.408 383 T N 0.588 115.110 114.554 -0.054 0.000 3.278 383 T HA 0.140 4.489 4.350 -0.000 0.000 0.251 383 T C 0.677 175.209 174.700 -0.279 0.000 1.039 383 T CA 0.175 62.236 62.100 -0.066 0.000 0.935 383 T CB 0.173 69.085 68.868 0.074 0.000 1.034 383 T HN 0.239 nan 8.240 nan 0.000 0.575 384 K N 0.201 120.297 120.400 -0.507 0.000 2.307 384 K HA 0.459 4.779 4.320 -0.000 0.000 0.239 384 K C 0.677 176.710 176.600 -0.945 0.000 1.083 384 K CA -1.293 54.196 56.287 -1.330 0.000 0.913 384 K CB 0.615 32.509 32.500 -1.010 0.000 1.322 384 K HN 0.118 nan 8.250 nan 0.000 0.514 385 F N 0.209 119.261 119.950 -1.496 0.000 2.286 385 F HA -0.343 4.183 4.527 -0.000 0.000 0.279 385 F C 0.614 176.161 175.800 -0.421 0.000 0.967 385 F CA 0.888 58.420 58.000 -0.780 0.000 1.383 385 F CB -0.379 37.746 39.000 -1.460 0.000 1.145 385 F HN 0.291 nan 8.300 nan 0.000 0.574 386 L N -0.374 120.436 121.223 -0.687 0.000 2.200 386 L HA 0.136 4.476 4.340 -0.000 0.000 0.200 386 L C 1.314 178.004 176.870 -0.300 0.000 1.072 386 L CA 0.802 55.269 54.840 -0.621 0.000 0.787 386 L CB -0.085 41.701 42.059 -0.455 0.000 0.957 386 L HN 0.210 nan 8.230 nan 0.000 0.459 387 S N 0.519 116.118 115.700 -0.168 0.000 2.416 387 S HA 0.035 4.504 4.470 -0.000 0.000 0.287 387 S C 0.781 175.414 174.600 0.056 0.000 1.139 387 S CA -0.641 57.532 58.200 -0.044 0.000 1.058 387 S CB 0.365 63.567 63.200 0.003 0.000 0.967 387 S HN 0.230 nan 8.310 nan 0.000 0.495 388 D N 4.886 125.307 120.400 0.035 0.000 2.191 388 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 388 D C 1.999 178.380 176.300 0.135 0.000 1.007 388 D CA 1.619 55.668 54.000 0.082 0.000 0.865 388 D CB -0.069 40.755 40.800 0.040 0.000 0.929 388 D HN 0.760 nan 8.370 nan 0.000 0.447 389 R N 0.342 120.910 120.500 0.112 0.000 2.153 389 R HA -0.200 4.140 4.340 -0.000 0.000 0.252 389 R C 1.098 177.500 176.300 0.170 0.000 1.158 389 R CA 0.696 56.864 56.100 0.113 0.000 0.975 389 R CB -1.234 29.124 30.300 0.096 0.000 0.871 389 R HN 0.193 nan 8.270 nan 0.000 0.450 390 W N 1.674 122.990 121.300 0.027 0.000 2.549 390 W HA -0.093 4.566 4.660 -0.000 0.000 0.343 390 W C 0.673 177.231 176.519 0.065 0.000 1.278 390 W CA 1.037 58.412 57.345 0.051 0.000 1.277 390 W CB 0.449 29.942 29.460 0.055 0.000 1.249 390 W HN 0.294 nan 8.180 nan 0.000 0.572 391 M N 5.021 124.447 119.600 -0.291 0.000 5.720 391 M HA -0.099 4.381 4.480 -0.000 0.000 0.685 391 M C -0.413 175.768 176.300 -0.198 0.000 2.399 391 M CA 0.657 55.768 55.300 -0.314 0.000 0.334 391 M CB -1.316 31.201 32.600 -0.139 0.000 1.967 391 M HN 0.282 nan 8.290 nan 0.000 0.745 392 L N -1.622 119.518 121.223 -0.137 0.000 2.758 392 L HA 0.687 5.027 4.340 -0.000 0.000 0.234 392 L C 0.344 177.201 176.870 -0.021 0.000 1.049 392 L CA 0.336 55.142 54.840 -0.057 0.000 0.908 392 L CB -0.147 41.911 42.059 -0.001 0.000 1.362 392 L HN 0.256 nan 8.230 nan 0.000 0.499 393 Q N 0.639 120.459 119.800 0.033 0.000 3.111 393 Q HA 0.237 4.577 4.340 -0.000 0.000 0.187 393 Q C -1.397 174.695 176.000 0.152 0.000 1.020 393 Q CA -0.367 55.481 55.803 0.076 0.000 1.085 393 Q CB 1.251 30.020 28.738 0.052 0.000 2.125 393 Q HN 0.285 nan 8.270 nan 0.000 0.556 394 K N 1.056 121.555 120.400 0.164 0.000 2.419 394 K HA 0.926 5.245 4.320 -0.000 0.000 0.246 394 K C -0.035 176.648 176.600 0.138 0.000 1.037 394 K CA 0.405 56.797 56.287 0.173 0.000 0.982 394 K CB 1.440 34.048 32.500 0.179 0.000 1.283 394 K HN 0.693 nan 8.250 nan 0.000 0.500 395 G N -1.163 107.732 108.800 0.159 0.000 2.474 395 G HA2 0.467 4.426 3.960 -0.000 0.000 0.234 395 G HA3 0.467 4.426 3.960 -0.000 0.000 0.234 395 G C -1.776 173.313 174.900 0.314 0.000 1.204 395 G CA -0.491 44.713 45.100 0.174 0.000 0.939 395 G HN 0.461 nan 8.290 nan 0.000 0.491 396 F N 0.618 120.582 119.950 0.023 0.000 3.796 396 F HA 0.426 4.953 4.527 -0.000 0.000 0.450 396 F C -0.139 175.667 175.800 0.011 0.000 0.818 396 F CA -0.244 57.764 58.000 0.014 0.000 1.663 396 F CB -0.528 38.478 39.000 0.011 0.000 2.576 396 F HN 0.933 nan 8.300 nan 0.000 0.809 397 L N 0.000 121.177 121.223 -0.077 0.000 2.949 397 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 397 L CA 0.000 54.789 54.840 -0.084 0.000 0.813 397 L CB 0.000 41.969 42.059 -0.149 0.000 0.961 397 L HN 0.000 nan 8.230 nan 0.000 0.502