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 2rf1_1_A DATA FIRST_RESID 29 DATA SEQUENCE EPEScGTVRF SDVGWTDITA TTATATTILE ALGYETDVKV LSVPVTYTSL DATA SEQUENCE KNKDIDVFLG NWMPTMEADI APYREDKSVE TVRENLAGAK YTLATNAKGA DATA SEQUENCE ELGIKDFKDI AAHKDELDGK IYGIEPGNDG NRLIIDMVEK GTFDLKGFEV DATA SEQUENCE VESSEQGMLA QVARAEKSGD PIVFLGWEPH PMNANFKLTY LSGGDDVFGP DATA SEQUENCE NYGGATVHTN VRAGYTTEcP NVDKLLQNLS FSLQMENEIM GKILNDGEDP DATA SEQUENCE EKAAAAWLKD NPQSIEPWLS GVATKDGGDG LAAVKAALGL 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 29 E HA 0.000 nan 4.350 nan 0.000 0.291 29 E C 0.000 176.602 176.600 0.003 0.000 1.382 29 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 29 E CB 0.000 29.716 29.700 0.026 0.000 0.812 30 P HA -0.033 nan 4.420 nan 0.000 0.273 30 P C 0.892 178.197 177.300 0.008 0.000 1.252 30 P CA -0.115 62.984 63.100 -0.001 0.000 0.809 30 P CB 0.734 32.429 31.700 -0.008 0.000 1.017 31 E N -0.353 119.855 120.200 0.014 0.000 2.274 31 E HA -0.122 4.228 4.350 0.000 0.000 0.194 31 E C 1.794 178.402 176.600 0.013 0.000 0.996 31 E CA 1.099 57.513 56.400 0.022 0.000 0.840 31 E CB -0.745 28.968 29.700 0.022 0.000 0.772 31 E HN 0.471 nan 8.360 nan 0.000 0.491 32 S N 1.046 116.748 115.700 0.003 0.000 2.348 32 S HA -0.158 4.312 4.470 0.000 0.000 0.221 32 S C 2.218 176.813 174.600 -0.008 0.000 1.033 32 S CA 1.471 59.672 58.200 0.001 0.000 1.010 32 S CB -0.523 62.681 63.200 0.008 0.000 0.891 32 S HN 0.416 nan 8.310 nan 0.000 0.442 33 c N 1.738 120.318 118.600 -0.033 0.000 2.422 33 c HA 0.165 4.735 4.570 0.000 0.000 0.286 33 c C 2.805 176.802 174.090 -0.156 0.000 1.412 33 c CA 0.059 56.320 56.329 -0.114 0.000 1.786 33 c CB -2.122 40.287 42.510 -0.168 0.000 1.835 33 c HN 0.774 nan 8.230 nan 0.000 0.533 34 G N -0.059 108.724 108.800 -0.029 0.000 2.470 34 G HA2 -0.011 3.949 3.960 0.000 0.000 0.220 34 G HA3 -0.011 3.949 3.960 0.000 0.000 0.220 34 G C 0.557 175.494 174.900 0.062 0.000 1.121 34 G CA 1.093 46.230 45.100 0.061 0.000 0.766 34 G HN 0.536 nan 8.290 nan 0.000 0.553 35 T N 0.614 115.175 114.554 0.012 0.000 2.906 35 T HA 0.431 4.781 4.350 0.000 0.000 0.302 35 T C -0.536 174.147 174.700 -0.029 0.000 1.002 35 T CA -0.502 61.611 62.100 0.021 0.000 0.988 35 T CB 2.253 71.135 68.868 0.022 0.000 0.972 35 T HN -0.046 nan 8.240 nan 0.000 0.447 36 V N 4.658 124.557 119.914 -0.025 0.000 2.389 36 V HA 0.333 4.453 4.120 0.000 0.000 0.264 36 V C 0.542 176.484 176.094 -0.255 0.000 1.049 36 V CA -0.866 61.332 62.300 -0.170 0.000 0.932 36 V CB -0.218 31.531 31.823 -0.123 0.000 1.011 36 V HN 0.707 nan 8.190 nan 0.000 0.475 37 R N 4.803 125.093 120.500 -0.351 0.000 2.216 37 R HA 0.549 4.889 4.340 0.000 0.000 0.332 37 R C -0.981 175.073 176.300 -0.411 0.000 1.056 37 R CA -0.004 55.941 56.100 -0.257 0.000 0.901 37 R CB 0.420 30.603 30.300 -0.196 0.000 1.039 37 R HN 0.539 nan 8.270 nan 0.000 0.456 38 F N 0.387 120.290 119.950 -0.078 0.000 2.470 38 F HA 0.333 4.860 4.527 0.000 0.000 0.329 38 F C 0.801 176.551 175.800 -0.084 0.000 1.072 38 F CA -0.703 57.257 58.000 -0.067 0.000 0.989 38 F CB 2.124 41.103 39.000 -0.034 0.000 1.193 38 F HN 0.337 nan 8.300 nan 0.000 0.481 39 S N 1.604 117.378 115.700 0.124 0.000 2.474 39 S HA 0.326 4.796 4.470 0.000 0.000 0.321 39 S C -1.407 173.203 174.600 0.017 0.000 1.080 39 S CA -0.644 57.527 58.200 -0.049 0.000 1.106 39 S CB 0.554 63.566 63.200 -0.314 0.000 0.984 39 S HN 0.592 nan 8.310 nan 0.000 0.464 40 D N 3.977 124.342 120.400 -0.058 0.000 2.381 40 D HA 0.342 4.982 4.640 0.000 0.000 0.235 40 D C 0.877 177.030 176.300 -0.245 0.000 1.068 40 D CA -0.690 53.248 54.000 -0.102 0.000 0.832 40 D CB 1.583 42.334 40.800 -0.082 0.000 1.101 40 D HN 0.300 nan 8.370 nan 0.000 0.515 41 V N 3.074 122.721 119.914 -0.444 0.000 3.129 41 V HA 0.267 4.387 4.120 0.000 0.000 0.259 41 V C 1.851 177.582 176.094 -0.604 0.000 1.116 41 V CA 1.104 63.022 62.300 -0.638 0.000 1.127 41 V CB -0.339 30.826 31.823 -1.096 0.000 0.742 41 V HN 0.902 nan 8.190 nan 0.000 0.474 42 G N -2.100 106.395 108.800 -0.507 0.000 2.545 42 G HA2 -0.165 3.795 3.960 0.000 0.000 0.195 42 G HA3 -0.165 3.795 3.960 0.000 0.000 0.195 42 G C -0.074 174.814 174.900 -0.020 0.000 1.009 42 G CA -0.345 44.635 45.100 -0.199 0.000 0.703 42 G HN 0.256 nan 8.290 nan 0.000 0.479 43 W N 2.153 123.477 121.300 0.041 0.000 2.274 43 W HA 0.375 5.035 4.660 0.000 0.000 0.345 43 W C 1.418 177.995 176.519 0.097 0.000 1.265 43 W CA 0.571 57.961 57.345 0.075 0.000 1.293 43 W CB -0.964 28.489 29.460 -0.012 0.000 1.175 43 W HN 0.061 nan 8.180 nan 0.000 0.577 44 T N 0.976 115.760 114.554 0.383 0.000 2.759 44 T HA -0.257 4.093 4.350 0.000 0.000 0.269 44 T C 1.404 176.200 174.700 0.161 0.000 1.042 44 T CA 2.069 64.292 62.100 0.205 0.000 1.140 44 T CB -0.191 68.759 68.868 0.135 0.000 0.864 44 T HN 0.562 nan 8.240 nan 0.000 0.455 45 D N 0.636 121.212 120.400 0.294 0.000 2.194 45 D HA -0.046 4.594 4.640 0.000 0.000 0.204 45 D C 2.073 178.467 176.300 0.157 0.000 0.964 45 D CA 0.537 54.674 54.000 0.229 0.000 0.846 45 D CB -0.323 40.721 40.800 0.405 0.000 0.962 45 D HN 0.334 nan 8.370 nan 0.000 0.490 46 I N 1.401 122.124 120.570 0.256 0.000 2.876 46 I HA -0.063 4.107 4.170 0.000 0.000 0.264 46 I C 1.915 178.019 176.117 -0.022 0.000 1.204 46 I CA 0.843 62.215 61.300 0.120 0.000 1.485 46 I CB -0.631 37.436 38.000 0.111 0.000 1.103 46 I HN -0.118 nan 8.210 nan 0.000 0.446 47 T N 0.739 115.289 114.554 -0.007 0.000 2.788 47 T HA -0.079 4.271 4.350 0.000 0.000 0.268 47 T C 1.878 176.515 174.700 -0.105 0.000 1.044 47 T CA 1.498 63.566 62.100 -0.053 0.000 1.139 47 T CB -0.255 68.603 68.868 -0.018 0.000 0.867 47 T HN 0.475 nan 8.240 nan 0.000 0.454 48 A N 1.346 124.089 122.820 -0.127 0.000 1.903 48 A HA -0.011 4.309 4.320 0.000 0.000 0.213 48 A C 2.582 179.982 177.584 -0.307 0.000 1.185 48 A CA 1.766 53.685 52.037 -0.197 0.000 0.628 48 A CB -1.012 17.862 19.000 -0.210 0.000 0.830 48 A HN 0.587 nan 8.150 nan 0.000 0.446 49 T N -2.823 111.495 114.554 -0.393 0.000 2.867 49 T HA -0.111 4.239 4.350 0.000 0.000 0.268 49 T C 1.596 176.056 174.700 -0.401 0.000 1.057 49 T CA 2.065 63.789 62.100 -0.627 0.000 1.136 49 T CB -0.807 67.589 68.868 -0.786 0.000 0.874 49 T HN 0.298 nan 8.240 nan 0.000 0.466 50 T N 1.268 115.644 114.554 -0.296 0.000 3.067 50 T HA 0.445 4.795 4.350 0.000 0.000 0.257 50 T C 2.365 176.871 174.700 -0.323 0.000 1.105 50 T CA 0.509 62.405 62.100 -0.341 0.000 1.104 50 T CB -0.328 68.397 68.868 -0.238 0.000 0.925 50 T HN 0.562 nan 8.240 nan 0.000 0.498 51 A N 1.943 124.622 122.820 -0.234 0.000 1.968 51 A HA -0.040 4.280 4.320 0.000 0.000 0.217 51 A C 2.477 179.966 177.584 -0.159 0.000 1.169 51 A CA 1.634 53.569 52.037 -0.170 0.000 0.638 51 A CB -1.019 17.905 19.000 -0.127 0.000 0.812 51 A HN 0.498 nan 8.150 nan 0.000 0.446 52 T N 0.406 114.838 114.554 -0.203 0.000 2.668 52 T HA 0.022 4.372 4.350 0.000 0.000 0.262 52 T C 2.236 176.839 174.700 -0.162 0.000 1.045 52 T CA 1.465 63.469 62.100 -0.160 0.000 1.152 52 T CB -0.726 67.998 68.868 -0.241 0.000 0.864 52 T HN 0.537 nan 8.240 nan 0.000 0.419 53 A N 2.058 124.728 122.820 -0.250 0.000 1.978 53 A HA -0.148 4.172 4.320 0.000 0.000 0.220 53 A C 2.651 180.126 177.584 -0.181 0.000 1.170 53 A CA 2.409 54.307 52.037 -0.232 0.000 0.636 53 A CB -1.357 17.432 19.000 -0.351 0.000 0.810 53 A HN 0.696 nan 8.150 nan 0.000 0.448 54 T N -3.595 110.804 114.554 -0.258 0.000 2.809 54 T HA -0.104 4.246 4.350 0.000 0.000 0.260 54 T C 1.851 176.546 174.700 -0.007 0.000 1.039 54 T CA 1.825 63.854 62.100 -0.119 0.000 1.141 54 T CB -1.153 67.623 68.868 -0.152 0.000 0.869 54 T HN 0.315 nan 8.240 nan 0.000 0.437 55 T N 2.806 117.347 114.554 -0.022 0.000 2.685 55 T HA -0.060 4.290 4.350 0.000 0.000 0.268 55 T C 1.918 176.655 174.700 0.061 0.000 1.034 55 T CA 1.792 63.908 62.100 0.025 0.000 1.149 55 T CB -0.587 68.300 68.868 0.031 0.000 0.860 55 T HN 0.450 nan 8.240 nan 0.000 0.449 56 I N 0.525 121.138 120.570 0.072 0.000 2.133 56 I HA -0.094 4.076 4.170 0.000 0.000 0.238 56 I C 2.417 178.603 176.117 0.115 0.000 1.074 56 I CA 1.191 62.560 61.300 0.116 0.000 1.342 56 I CB -0.582 37.508 38.000 0.151 0.000 1.053 56 I HN 0.148 nan 8.210 nan 0.000 0.404 57 L N 0.616 121.928 121.223 0.149 0.000 2.081 57 L HA -0.239 4.101 4.340 0.000 0.000 0.212 57 L C 2.507 179.486 176.870 0.181 0.000 1.080 57 L CA 1.560 56.555 54.840 0.258 0.000 0.754 57 L CB -0.566 41.710 42.059 0.362 0.000 0.893 57 L HN 0.316 nan 8.230 nan 0.000 0.433 58 E N -0.419 119.858 120.200 0.128 0.000 2.347 58 E HA -0.100 4.250 4.350 0.000 0.000 0.196 58 E C 2.054 178.677 176.600 0.038 0.000 1.008 58 E CA 0.781 57.233 56.400 0.087 0.000 0.852 58 E CB 0.032 29.777 29.700 0.075 0.000 0.783 58 E HN 0.500 nan 8.360 nan 0.000 0.505 59 A N 0.697 123.539 122.820 0.036 0.000 2.169 59 A HA 0.048 4.368 4.320 0.000 0.000 0.212 59 A C 1.909 179.474 177.584 -0.032 0.000 1.153 59 A CA 0.232 52.278 52.037 0.015 0.000 0.756 59 A CB 0.007 19.033 19.000 0.043 0.000 0.813 59 A HN 0.153 nan 8.150 nan 0.000 0.471 60 L N -1.652 119.525 121.223 -0.077 0.000 2.567 60 L HA 0.193 4.533 4.340 0.000 0.000 0.225 60 L C 1.477 178.084 176.870 -0.438 0.000 1.119 60 L CA 0.977 55.691 54.840 -0.210 0.000 0.871 60 L CB 0.228 42.176 42.059 -0.184 0.000 1.036 60 L HN 0.588 nan 8.230 nan 0.000 0.459 61 G N -1.190 107.415 108.800 -0.324 0.000 2.168 61 G HA2 -0.260 3.700 3.960 0.000 0.000 0.197 61 G HA3 -0.260 3.700 3.960 0.000 0.000 0.197 61 G C -0.061 174.715 174.900 -0.208 0.000 0.997 61 G CA -0.413 44.523 45.100 -0.273 0.000 0.658 61 G HN 0.311 nan 8.290 nan 0.000 0.513 62 Y N 0.686 121.021 120.300 0.059 0.000 2.519 62 Y HA 0.694 5.244 4.550 -0.000 0.000 0.324 62 Y C 0.865 176.805 175.900 0.066 0.000 1.214 62 Y CA -1.090 57.049 58.100 0.066 0.000 1.260 62 Y CB 0.921 39.435 38.460 0.089 0.000 1.311 62 Y HN 0.082 nan 8.280 nan 0.000 0.505 63 E N 0.332 120.684 120.200 0.253 0.000 2.263 63 E HA 0.398 4.748 4.350 0.000 0.000 0.264 63 E C -1.129 175.573 176.600 0.170 0.000 0.923 63 E CA -0.927 55.573 56.400 0.167 0.000 0.802 63 E CB 2.192 31.959 29.700 0.111 0.000 1.228 63 E HN 0.626 nan 8.360 nan 0.000 0.417 64 T N -1.387 113.258 114.554 0.151 0.000 2.861 64 T HA 0.430 4.780 4.350 0.000 0.000 0.287 64 T C -1.031 173.747 174.700 0.131 0.000 1.003 64 T CA -0.989 61.223 62.100 0.186 0.000 0.977 64 T CB 1.679 70.681 68.868 0.224 0.000 0.996 64 T HN 0.374 nan 8.240 nan 0.000 0.448 65 D N 1.863 122.339 120.400 0.126 0.000 2.391 65 D HA 0.530 5.170 4.640 0.000 0.000 0.245 65 D C -1.115 175.252 176.300 0.112 0.000 1.069 65 D CA -0.587 53.462 54.000 0.081 0.000 0.831 65 D CB 1.669 42.487 40.800 0.030 0.000 1.204 65 D HN 0.499 nan 8.370 nan 0.000 0.503 66 V N 5.013 124.977 119.914 0.083 0.000 2.407 66 V HA 0.387 4.507 4.120 0.000 0.000 0.291 66 V C -0.036 176.068 176.094 0.017 0.000 1.018 66 V CA -0.817 61.533 62.300 0.083 0.000 0.842 66 V CB 1.451 33.308 31.823 0.057 0.000 0.996 66 V HN 0.469 nan 8.190 nan 0.000 0.426 67 K N 3.243 123.638 120.400 -0.009 0.000 2.164 67 K HA 0.638 4.958 4.320 0.000 0.000 0.258 67 K C -0.947 175.605 176.600 -0.081 0.000 0.951 67 K CA -0.770 55.488 56.287 -0.049 0.000 0.844 67 K CB 2.738 35.197 32.500 -0.069 0.000 1.099 67 K HN 0.395 nan 8.250 nan 0.000 0.435 68 V N 5.134 124.999 119.914 -0.083 0.000 2.284 68 V HA 0.256 4.376 4.120 0.000 0.000 0.260 68 V C -0.398 175.624 176.094 -0.121 0.000 1.084 68 V CA -0.573 61.663 62.300 -0.107 0.000 0.894 68 V CB -0.401 31.375 31.823 -0.078 0.000 1.119 68 V HN 0.505 nan 8.190 nan 0.000 0.484 69 L N 3.502 124.621 121.223 -0.173 0.000 2.370 69 L HA 0.648 4.988 4.340 0.000 0.000 0.266 69 L C 0.738 177.487 176.870 -0.202 0.000 1.002 69 L CA -0.539 54.200 54.840 -0.169 0.000 0.818 69 L CB 2.183 44.131 42.059 -0.185 0.000 1.325 69 L HN 0.581 nan 8.230 nan 0.000 0.418 70 S N 0.405 116.031 115.700 -0.124 0.000 2.572 70 S HA 0.068 4.538 4.470 0.000 0.000 0.262 70 S C 1.357 175.884 174.600 -0.121 0.000 1.375 70 S CA -0.495 57.657 58.200 -0.079 0.000 0.996 70 S CB 0.501 63.702 63.200 0.001 0.000 0.892 70 S HN 0.368 nan 8.310 nan 0.000 0.562 71 V N 2.292 122.200 119.914 -0.009 0.000 2.215 71 V HA -0.160 3.960 4.120 0.000 0.000 0.249 71 V C -0.445 175.696 176.094 0.079 0.000 1.054 71 V CA 2.367 64.706 62.300 0.066 0.000 1.012 71 V CB -2.253 29.734 31.823 0.273 0.000 0.639 71 V HN 0.757 nan 8.190 nan 0.000 0.448 72 P HA -0.094 nan 4.420 nan 0.000 0.218 72 P C 1.784 179.139 177.300 0.092 0.000 1.148 72 P CA 1.292 64.475 63.100 0.139 0.000 0.822 72 P CB -0.081 31.682 31.700 0.105 0.000 0.784 73 V N -1.117 118.801 119.914 0.006 0.000 2.488 73 V HA -0.146 3.974 4.120 0.000 0.000 0.246 73 V C 2.329 178.331 176.094 -0.152 0.000 1.046 73 V CA 2.065 64.338 62.300 -0.044 0.000 1.053 73 V CB -1.794 29.996 31.823 -0.056 0.000 0.679 73 V HN 0.139 nan 8.190 nan 0.000 0.458 74 T N -0.459 113.937 114.554 -0.262 0.000 2.778 74 T HA -0.240 4.110 4.350 0.000 0.000 0.269 74 T C 1.650 175.986 174.700 -0.608 0.000 1.050 74 T CA 2.093 63.880 62.100 -0.522 0.000 1.137 74 T CB -0.328 68.013 68.868 -0.879 0.000 0.860 74 T HN 0.573 nan 8.240 nan 0.000 0.468 75 Y N 0.547 120.578 120.300 -0.449 0.000 2.397 75 Y HA 0.041 4.591 4.550 -0.000 0.000 0.292 75 Y C 2.875 178.332 175.900 -0.739 0.000 1.115 75 Y CA 0.534 58.201 58.100 -0.721 0.000 1.208 75 Y CB -0.520 37.297 38.460 -1.071 0.000 1.046 75 Y HN 0.104 nan 8.280 nan 0.000 0.552 76 T N -0.411 114.023 114.554 -0.200 0.000 2.607 76 T HA -0.227 4.123 4.350 0.000 0.000 0.267 76 T C 2.121 176.792 174.700 -0.049 0.000 1.049 76 T CA 2.105 64.216 62.100 0.018 0.000 1.162 76 T CB -0.487 68.418 68.868 0.061 0.000 0.863 76 T HN 0.315 nan 8.240 nan 0.000 0.424 77 S N 1.672 117.301 115.700 -0.119 0.000 2.370 77 S HA -0.053 4.417 4.470 0.000 0.000 0.226 77 S C 2.091 176.611 174.600 -0.134 0.000 1.033 77 S CA 0.998 59.124 58.200 -0.123 0.000 1.011 77 S CB -0.685 62.418 63.200 -0.162 0.000 0.852 77 S HN 0.350 nan 8.310 nan 0.000 0.457 78 L N 1.488 122.595 121.223 -0.195 0.000 1.978 78 L HA -0.232 4.108 4.340 0.000 0.000 0.218 78 L C 2.708 179.536 176.870 -0.071 0.000 1.075 78 L CA 1.772 56.511 54.840 -0.167 0.000 0.767 78 L CB -0.760 41.171 42.059 -0.214 0.000 0.890 78 L HN 0.331 nan 8.230 nan 0.000 0.434 79 K N 0.331 120.720 120.400 -0.019 0.000 2.074 79 K HA -0.204 4.116 4.320 0.000 0.000 0.209 79 K C 1.573 178.202 176.600 0.049 0.000 1.048 79 K CA 1.774 58.117 56.287 0.093 0.000 0.926 79 K CB -0.072 32.585 32.500 0.261 0.000 0.713 79 K HN 0.313 nan 8.250 nan 0.000 0.444 80 N N 1.185 119.896 118.700 0.019 0.000 2.449 80 N HA -0.029 4.711 4.740 0.000 0.000 0.191 80 N C -0.411 175.090 175.510 -0.016 0.000 1.161 80 N CA 0.479 53.533 53.050 0.007 0.000 0.863 80 N CB 0.309 38.796 38.487 0.001 0.000 0.980 80 N HN 0.203 nan 8.380 nan 0.000 0.458 81 K N -0.422 119.960 120.400 -0.031 0.000 3.209 81 K HA -0.176 4.144 4.320 0.000 0.000 0.289 81 K C -0.363 176.197 176.600 -0.065 0.000 1.191 81 K CA 0.662 56.921 56.287 -0.046 0.000 0.851 81 K CB -1.091 31.397 32.500 -0.021 0.000 1.242 81 K HN 0.197 nan 8.250 nan 0.000 0.480 82 D N 0.213 120.567 120.400 -0.077 0.000 2.234 82 D HA 0.107 4.747 4.640 0.000 0.000 0.205 82 D C 0.936 177.162 176.300 -0.124 0.000 0.962 82 D CA 0.930 54.878 54.000 -0.086 0.000 0.855 82 D CB 0.287 41.040 40.800 -0.078 0.000 0.951 82 D HN 0.391 nan 8.370 nan 0.000 0.500 83 I N 0.006 120.478 120.570 -0.165 0.000 2.934 83 I HA 0.180 4.350 4.170 0.000 0.000 0.306 83 I C 0.466 176.397 176.117 -0.310 0.000 1.110 83 I CA -0.733 60.430 61.300 -0.229 0.000 1.019 83 I CB 2.566 40.424 38.000 -0.237 0.000 1.227 83 I HN -0.350 nan 8.210 nan 0.000 0.434 84 D N 1.773 121.895 120.400 -0.462 0.000 2.431 84 D HA 0.156 4.796 4.640 0.000 0.000 0.235 84 D C 0.179 176.019 176.300 -0.767 0.000 0.980 84 D CA 1.181 54.720 54.000 -0.768 0.000 0.912 84 D CB 1.094 41.258 40.800 -1.060 0.000 1.056 84 D HN 0.139 nan 8.370 nan 0.000 0.494 85 V N 0.935 120.479 119.914 -0.617 0.000 2.823 85 V HA 0.478 4.598 4.120 0.000 0.000 0.312 85 V C -1.304 174.768 176.094 -0.036 0.000 1.072 85 V CA -0.943 61.137 62.300 -0.367 0.000 0.937 85 V CB 2.870 34.413 31.823 -0.466 0.000 1.013 85 V HN -0.017 nan 8.190 nan 0.000 0.430 86 F N 3.400 123.279 119.950 -0.118 0.000 2.573 86 F HA 0.661 5.188 4.527 -0.000 0.000 0.316 86 F C -0.560 175.256 175.800 0.027 0.000 1.148 86 F CA -0.971 56.989 58.000 -0.067 0.000 0.940 86 F CB 1.956 40.818 39.000 -0.230 0.000 1.214 86 F HN 0.261 nan 8.300 nan 0.000 0.448 87 L N 4.811 125.815 121.223 -0.364 0.000 2.693 87 L HA 0.398 4.738 4.340 0.000 0.000 0.235 87 L C 1.414 177.992 176.870 -0.487 0.000 1.127 87 L CA 0.529 55.206 54.840 -0.272 0.000 0.914 87 L CB 0.677 42.735 42.059 -0.001 0.000 1.193 87 L HN 0.865 nan 8.230 nan 0.000 0.502 88 G N -0.753 107.296 108.800 -1.253 0.000 4.644 88 G HA2 0.042 4.002 3.960 0.000 0.000 0.307 88 G HA3 0.042 4.002 3.960 0.000 0.000 0.307 88 G C -0.144 174.539 174.900 -0.362 0.000 1.331 88 G CA -0.318 44.419 45.100 -0.605 0.000 1.059 88 G HN 0.063 nan 8.290 nan 0.000 0.590 89 N N 0.727 119.232 118.700 -0.325 0.000 2.448 89 N HA 0.113 4.853 4.740 0.000 0.000 0.250 89 N C -0.873 174.783 175.510 0.244 0.000 1.136 89 N CA -0.737 52.427 53.050 0.191 0.000 0.953 89 N CB 0.155 38.766 38.487 0.207 0.000 1.251 89 N HN 0.226 nan 8.380 nan 0.000 0.502 90 W N 5.303 126.749 121.300 0.245 0.000 2.357 90 W HA 0.320 4.980 4.660 0.000 0.000 0.317 90 W C -0.074 176.569 176.519 0.206 0.000 1.101 90 W CA -0.677 56.792 57.345 0.206 0.000 1.380 90 W CB 0.450 29.988 29.460 0.131 0.000 1.266 90 W HN 0.183 nan 8.180 nan 0.000 0.419 91 M N 6.235 126.033 119.600 0.330 0.000 2.314 91 M HA 0.219 4.699 4.480 0.000 0.000 0.342 91 M C -1.258 175.202 176.300 0.266 0.000 1.171 91 M CA -3.061 52.376 55.300 0.229 0.000 1.098 91 M CB 0.994 33.645 32.600 0.085 0.000 1.559 91 M HN 0.177 nan 8.290 nan 0.000 0.459 92 P HA 0.046 nan 4.420 nan 0.000 0.245 92 P C 0.932 178.307 177.300 0.125 0.000 1.203 92 P CA 0.706 63.882 63.100 0.126 0.000 0.792 92 P CB -0.237 31.513 31.700 0.083 0.000 0.997 93 T N -2.557 112.111 114.554 0.189 0.000 2.849 93 T HA -0.081 4.269 4.350 0.000 0.000 0.270 93 T C 1.616 176.380 174.700 0.107 0.000 1.066 93 T CA 0.968 63.139 62.100 0.117 0.000 1.130 93 T CB -0.915 68.067 68.868 0.189 0.000 0.864 93 T HN 0.055 nan 8.240 nan 0.000 0.481 94 M N 0.849 120.554 119.600 0.175 0.000 2.571 94 M HA 0.258 4.738 4.480 0.000 0.000 0.235 94 M C 1.770 178.099 176.300 0.049 0.000 1.216 94 M CA -0.073 55.320 55.300 0.156 0.000 0.979 94 M CB 0.094 32.869 32.600 0.292 0.000 1.616 94 M HN 0.191 nan 8.290 nan 0.000 0.469 95 E N 1.379 121.595 120.200 0.026 0.000 2.017 95 E HA -0.171 4.179 4.350 0.000 0.000 0.193 95 E C 1.833 178.412 176.600 -0.034 0.000 0.997 95 E CA 2.252 58.645 56.400 -0.011 0.000 0.804 95 E CB -0.028 29.664 29.700 -0.014 0.000 0.757 95 E HN 0.470 nan 8.360 nan 0.000 0.448 96 A N 0.715 123.517 122.820 -0.031 0.000 1.986 96 A HA -0.238 4.082 4.320 0.000 0.000 0.220 96 A C 1.930 179.490 177.584 -0.040 0.000 1.171 96 A CA 2.018 54.034 52.037 -0.036 0.000 0.640 96 A CB -0.680 18.302 19.000 -0.030 0.000 0.811 96 A HN 0.389 nan 8.150 nan 0.000 0.451 97 D N -0.844 119.520 120.400 -0.059 0.000 2.137 97 D HA -0.024 4.616 4.640 0.000 0.000 0.202 97 D C 1.588 177.745 176.300 -0.239 0.000 0.970 97 D CA 1.105 55.035 54.000 -0.116 0.000 0.837 97 D CB -0.018 40.704 40.800 -0.130 0.000 0.981 97 D HN 0.523 nan 8.370 nan 0.000 0.475 98 I N 0.159 120.549 120.570 -0.299 0.000 3.883 98 I HA 0.088 4.258 4.170 0.000 0.000 0.326 98 I C 1.582 177.702 176.117 0.005 0.000 1.283 98 I CA 0.077 61.200 61.300 -0.295 0.000 1.161 98 I CB 0.232 38.081 38.000 -0.252 0.000 1.012 98 I HN -0.199 nan 8.210 nan 0.000 0.421 99 A N 1.233 124.040 122.820 -0.021 0.000 1.973 99 A HA 0.265 4.585 4.320 0.000 0.000 0.210 99 A C -0.394 177.153 177.584 -0.063 0.000 1.200 99 A CA 0.239 52.255 52.037 -0.035 0.000 0.707 99 A CB -1.295 17.678 19.000 -0.045 0.000 0.862 99 A HN 0.291 nan 8.150 nan 0.000 0.461 100 P HA -0.167 nan 4.420 nan 0.000 0.215 100 P C 0.788 177.953 177.300 -0.225 0.000 1.153 100 P CA 1.291 64.243 63.100 -0.247 0.000 0.853 100 P CB -0.200 31.225 31.700 -0.459 0.000 0.788 101 Y N -1.175 119.103 120.300 -0.036 0.000 2.373 101 Y HA -0.011 4.539 4.550 -0.000 0.000 0.293 101 Y C 2.716 178.626 175.900 0.016 0.000 1.129 101 Y CA 0.798 58.902 58.100 0.006 0.000 1.226 101 Y CB -0.402 38.083 38.460 0.042 0.000 1.000 101 Y HN -0.176 nan 8.280 nan 0.000 0.549 102 R N 0.672 121.250 120.500 0.129 0.000 2.153 102 R HA -0.097 4.243 4.340 0.000 0.000 0.218 102 R C 1.478 177.804 176.300 0.044 0.000 1.072 102 R CA 1.284 57.434 56.100 0.083 0.000 0.990 102 R CB 0.074 30.404 30.300 0.049 0.000 0.889 102 R HN 0.405 nan 8.270 nan 0.000 0.452 103 E N 0.130 120.340 120.200 0.016 0.000 2.276 103 E HA -0.091 4.259 4.350 0.000 0.000 0.193 103 E C 0.619 177.218 176.600 -0.001 0.000 0.983 103 E CA 0.934 57.333 56.400 -0.002 0.000 0.861 103 E CB 0.193 29.879 29.700 -0.023 0.000 0.817 103 E HN 0.533 nan 8.360 nan 0.000 0.485 104 D N 0.757 121.156 120.400 -0.002 0.000 2.336 104 D HA -0.026 4.614 4.640 0.000 0.000 0.229 104 D C 0.190 176.511 176.300 0.034 0.000 1.061 104 D CA 0.025 54.029 54.000 0.006 0.000 0.875 104 D CB -0.140 40.654 40.800 -0.009 0.000 0.904 104 D HN -0.131 nan 8.370 nan 0.000 0.525 105 K N -0.607 119.821 120.400 0.047 0.000 3.016 105 K HA -0.208 4.112 4.320 0.000 0.000 0.262 105 K C 0.521 177.163 176.600 0.071 0.000 1.043 105 K CA 0.809 57.128 56.287 0.055 0.000 0.761 105 K CB -1.653 30.870 32.500 0.037 0.000 1.230 105 K HN 0.470 nan 8.250 nan 0.000 0.485 106 S N -1.582 114.178 115.700 0.101 0.000 2.556 106 S HA 0.234 4.704 4.470 0.000 0.000 0.216 106 S C 0.357 175.032 174.600 0.125 0.000 0.970 106 S CA -0.260 58.008 58.200 0.114 0.000 0.912 106 S CB 1.035 64.323 63.200 0.146 0.000 0.790 106 S HN 0.068 nan 8.310 nan 0.000 0.504 107 V N 1.015 121.010 119.914 0.135 0.000 2.752 107 V HA 0.427 4.547 4.120 0.000 0.000 0.302 107 V C -1.160 175.005 176.094 0.119 0.000 1.133 107 V CA -0.604 61.774 62.300 0.129 0.000 0.919 107 V CB 2.307 34.240 31.823 0.183 0.000 1.026 107 V HN 0.341 nan 8.190 nan 0.000 0.429 108 E N 1.562 121.820 120.200 0.097 0.000 2.254 108 E HA 0.725 5.075 4.350 0.000 0.000 0.258 108 E C -0.792 175.863 176.600 0.092 0.000 1.033 108 E CA -0.477 55.974 56.400 0.086 0.000 0.893 108 E CB 1.763 31.508 29.700 0.075 0.000 1.204 108 E HN 0.670 nan 8.360 nan 0.000 0.425 109 T N 0.647 115.247 114.554 0.077 0.000 2.812 109 T HA 0.208 4.558 4.350 0.000 0.000 0.282 109 T C 0.731 175.474 174.700 0.071 0.000 0.990 109 T CA -0.630 61.519 62.100 0.080 0.000 0.960 109 T CB 1.408 70.316 68.868 0.067 0.000 0.948 109 T HN 0.234 nan 8.240 nan 0.000 0.438 110 V N 2.828 122.783 119.914 0.067 0.000 2.446 110 V HA 0.192 4.312 4.120 0.000 0.000 0.244 110 V C 0.962 177.078 176.094 0.036 0.000 1.039 110 V CA 0.834 63.164 62.300 0.050 0.000 1.045 110 V CB -0.864 30.986 31.823 0.045 0.000 0.681 110 V HN 0.979 nan 8.190 nan 0.000 0.459 111 R N -0.742 119.778 120.500 0.033 0.000 2.979 111 R HA 0.293 4.633 4.340 0.000 0.000 0.286 111 R C -1.249 175.028 176.300 -0.039 0.000 0.972 111 R CA -0.759 55.347 56.100 0.010 0.000 0.828 111 R CB 0.853 31.135 30.300 -0.030 0.000 1.368 111 R HN 0.017 nan 8.270 nan 0.000 0.511 112 E N 0.705 120.837 120.200 -0.112 0.000 2.152 112 E HA 0.095 4.445 4.350 0.000 0.000 0.285 112 E C -0.309 176.106 176.600 -0.309 0.000 1.043 112 E CA -0.209 56.001 56.400 -0.317 0.000 0.839 112 E CB 0.829 30.358 29.700 -0.285 0.000 1.069 112 E HN 0.602 nan 8.360 nan 0.000 0.399 113 N N 3.993 122.469 118.700 -0.373 0.000 2.299 113 N HA 0.082 4.822 4.740 0.000 0.000 0.187 113 N C -0.518 174.826 175.510 -0.276 0.000 1.099 113 N CA -0.140 52.644 53.050 -0.444 0.000 0.867 113 N CB 0.513 38.687 38.487 -0.522 0.000 0.974 113 N HN 0.208 nan 8.380 nan 0.000 0.477 114 L N -0.224 120.850 121.223 -0.248 0.000 2.705 114 L HA 0.719 5.059 4.340 0.000 0.000 0.260 114 L C -1.800 174.945 176.870 -0.208 0.000 0.921 114 L CA -0.755 53.991 54.840 -0.157 0.000 0.948 114 L CB 1.443 43.429 42.059 -0.122 0.000 1.427 114 L HN 0.161 nan 8.230 nan 0.000 0.432 115 A N 2.408 125.161 122.820 -0.112 0.000 2.387 115 A HA 0.894 5.214 4.320 0.000 0.000 0.303 115 A C 0.871 178.446 177.584 -0.016 0.000 1.145 115 A CA 0.084 52.076 52.037 -0.075 0.000 0.801 115 A CB 1.411 20.381 19.000 -0.050 0.000 1.342 115 A HN 2.121 nan 8.150 nan 0.000 0.440 116 G N -1.693 107.116 108.800 0.016 0.000 2.194 116 G HA2 0.195 4.155 3.960 0.000 0.000 0.236 116 G HA3 0.195 4.155 3.960 0.000 0.000 0.236 116 G C 0.710 175.659 174.900 0.082 0.000 0.987 116 G CA 0.533 45.661 45.100 0.047 0.000 0.635 116 G HN 2.161 nan 8.290 nan 0.000 0.520 117 A N 0.188 123.065 122.820 0.095 0.000 2.386 117 A HA 0.674 4.994 4.320 0.000 0.000 0.246 117 A C 0.552 178.294 177.584 0.263 0.000 1.089 117 A CA 1.123 53.290 52.037 0.217 0.000 0.790 117 A CB 0.403 19.544 19.000 0.236 0.000 1.042 117 A HN 1.477 nan 8.150 nan 0.000 0.497 118 K N -0.430 120.170 120.400 0.334 0.000 2.502 118 K HA 0.594 4.914 4.320 0.000 0.000 0.257 118 K C -2.296 174.557 176.600 0.421 0.000 0.938 118 K CA -0.622 55.824 56.287 0.265 0.000 0.819 118 K CB 1.761 34.254 32.500 -0.013 0.000 1.333 118 K HN 0.578 nan 8.250 nan 0.000 0.434 119 Y N 1.532 121.970 120.300 0.231 0.000 2.287 119 Y HA 0.457 5.007 4.550 -0.000 0.000 0.325 119 Y C -1.520 174.492 175.900 0.186 0.000 1.139 119 Y CA -0.261 57.984 58.100 0.241 0.000 1.167 119 Y CB 1.624 40.197 38.460 0.188 0.000 1.158 119 Y HN 0.996 nan 8.280 nan 0.000 0.434 120 T N 4.507 119.073 114.554 0.019 0.000 2.658 120 T HA 0.536 4.886 4.350 0.000 0.000 0.305 120 T C -1.305 173.075 174.700 -0.533 0.000 1.551 120 T CA -0.645 61.055 62.100 -0.667 0.000 0.985 120 T CB 0.553 69.332 68.868 -0.147 0.000 1.731 120 T HN 0.458 nan 8.240 nan 0.000 0.486 121 L N 1.524 122.308 121.223 -0.732 0.000 2.473 121 L HA 0.653 4.993 4.340 0.000 0.000 0.268 121 L C 0.584 177.082 176.870 -0.620 0.000 1.215 121 L CA -0.111 54.347 54.840 -0.636 0.000 0.823 121 L CB 0.551 42.158 42.059 -0.753 0.000 1.099 121 L HN 0.887 nan 8.230 nan 0.000 0.483 122 A N 0.965 123.281 122.820 -0.841 0.000 2.599 122 A HA 0.692 5.012 4.320 0.000 0.000 0.290 122 A C -0.818 176.220 177.584 -0.910 0.000 1.101 122 A CA -0.387 51.098 52.037 -0.920 0.000 0.674 122 A CB 1.870 20.136 19.000 -1.222 0.000 1.277 122 A HN 0.532 nan 8.150 nan 0.000 0.419 123 T N -0.221 113.975 114.554 -0.596 0.000 2.883 123 T HA 0.603 4.953 4.350 0.000 0.000 0.284 123 T C -0.384 174.215 174.700 -0.169 0.000 1.041 123 T CA -0.378 61.529 62.100 -0.322 0.000 1.007 123 T CB 0.766 69.489 68.868 -0.242 0.000 1.220 123 T HN 1.020 nan 8.240 nan 0.000 0.552 124 N N 0.776 119.428 118.700 -0.080 0.000 2.491 124 N HA 0.465 5.205 4.740 0.000 0.000 0.279 124 N C 1.356 176.796 175.510 -0.116 0.000 1.236 124 N CA -0.069 52.923 53.050 -0.096 0.000 0.982 124 N CB -0.107 38.290 38.487 -0.150 0.000 1.194 124 N HN 0.639 nan 8.380 nan 0.000 0.582 125 A N -0.105 122.651 122.820 -0.107 0.000 1.958 125 A HA -0.272 4.048 4.320 0.000 0.000 0.221 125 A C 2.010 179.538 177.584 -0.092 0.000 1.178 125 A CA 2.114 54.098 52.037 -0.088 0.000 0.642 125 A CB -0.728 18.229 19.000 -0.072 0.000 0.816 125 A HN 0.668 nan 8.150 nan 0.000 0.453 126 K N -0.398 119.940 120.400 -0.104 0.000 2.025 126 K HA -0.016 4.304 4.320 0.000 0.000 0.207 126 K C 2.040 178.568 176.600 -0.119 0.000 1.049 126 K CA 1.537 57.763 56.287 -0.101 0.000 0.933 126 K CB -1.215 31.223 32.500 -0.103 0.000 0.714 126 K HN 0.343 nan 8.250 nan 0.000 0.438 127 G N 0.260 108.979 108.800 -0.136 0.000 2.545 127 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 127 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 127 G C 1.644 176.435 174.900 -0.182 0.000 1.218 127 G CA 1.773 46.769 45.100 -0.172 0.000 0.787 127 G HN 0.446 nan 8.290 nan 0.000 0.571 128 A N 0.884 123.615 122.820 -0.148 0.000 1.903 128 A HA -0.190 4.130 4.320 0.000 0.000 0.219 128 A C 2.207 179.732 177.584 -0.097 0.000 1.191 128 A CA 2.410 54.377 52.037 -0.118 0.000 0.638 128 A CB -0.715 18.226 19.000 -0.098 0.000 0.823 128 A HN 0.610 nan 8.150 nan 0.000 0.451 129 E N -0.886 119.259 120.200 -0.091 0.000 2.070 129 E HA -0.240 4.110 4.350 0.000 0.000 0.197 129 E C 1.790 178.351 176.600 -0.066 0.000 1.004 129 E CA 1.560 57.919 56.400 -0.067 0.000 0.805 129 E CB -0.226 29.436 29.700 -0.063 0.000 0.744 129 E HN 0.363 nan 8.360 nan 0.000 0.451 130 L N -0.695 120.463 121.223 -0.107 0.000 2.201 130 L HA 0.049 4.389 4.340 0.000 0.000 0.212 130 L C 1.911 178.738 176.870 -0.072 0.000 1.105 130 L CA 2.171 56.947 54.840 -0.105 0.000 0.775 130 L CB -0.027 41.902 42.059 -0.217 0.000 0.913 130 L HN 0.545 nan 8.230 nan 0.000 0.440 131 G N -2.252 106.479 108.800 -0.116 0.000 2.902 131 G HA2 -0.122 3.838 3.960 0.000 0.000 0.215 131 G HA3 -0.122 3.838 3.960 0.000 0.000 0.215 131 G C 0.400 175.268 174.900 -0.052 0.000 0.976 131 G CA -0.323 44.767 45.100 -0.017 0.000 0.794 131 G HN 0.127 nan 8.290 nan 0.000 0.557 132 I N 1.899 122.356 120.570 -0.187 0.000 2.389 132 I HA 0.231 4.401 4.170 0.000 0.000 0.295 132 I C 0.898 176.942 176.117 -0.122 0.000 1.117 132 I CA 0.460 61.662 61.300 -0.163 0.000 1.317 132 I CB 0.757 38.611 38.000 -0.243 0.000 1.431 132 I HN 0.004 nan 8.210 nan 0.000 0.521 133 K N 3.444 123.799 120.400 -0.075 0.000 2.562 133 K HA 0.196 4.516 4.320 0.000 0.000 0.218 133 K C -0.329 176.253 176.600 -0.030 0.000 1.374 133 K CA -0.039 56.215 56.287 -0.055 0.000 0.996 133 K CB 0.992 33.481 32.500 -0.019 0.000 1.127 133 K HN 0.512 nan 8.250 nan 0.000 0.603 134 D N -1.155 119.221 120.400 -0.041 0.000 2.374 134 D HA 0.306 4.946 4.640 0.000 0.000 0.239 134 D C 0.598 176.829 176.300 -0.114 0.000 0.991 134 D CA -0.569 53.417 54.000 -0.022 0.000 0.960 134 D CB 1.166 41.966 40.800 0.000 0.000 1.284 134 D HN -0.238 nan 8.370 nan 0.000 0.512 135 F N 0.698 120.496 119.950 -0.252 0.000 2.126 135 F HA -0.055 4.472 4.527 0.000 0.000 0.299 135 F C 2.190 177.703 175.800 -0.478 0.000 1.096 135 F CA 1.082 58.813 58.000 -0.448 0.000 1.255 135 F CB 0.040 38.583 39.000 -0.761 0.000 0.997 135 F HN 0.271 nan 8.300 nan 0.000 0.479 136 K N 0.173 120.449 120.400 -0.206 0.000 2.504 136 K HA -0.103 4.217 4.320 0.000 0.000 0.195 136 K C 1.265 177.865 176.600 -0.000 0.000 1.036 136 K CA 0.879 57.116 56.287 -0.083 0.000 0.984 136 K CB -0.248 32.254 32.500 0.003 0.000 0.788 136 K HN 0.118 nan 8.250 nan 0.000 0.488 137 D N -0.415 119.976 120.400 -0.015 0.000 2.271 137 D HA 0.034 4.674 4.640 0.000 0.000 0.206 137 D C 1.612 177.979 176.300 0.113 0.000 0.967 137 D CA 0.436 54.471 54.000 0.058 0.000 0.867 137 D CB 0.194 41.024 40.800 0.049 0.000 0.960 137 D HN 0.179 nan 8.370 nan 0.000 0.509 138 I N 1.567 122.146 120.570 0.015 0.000 2.151 138 I HA -0.313 3.857 4.170 0.000 0.000 0.243 138 I C 2.439 178.662 176.117 0.178 0.000 1.080 138 I CA 1.282 62.608 61.300 0.044 0.000 1.339 138 I CB -0.066 37.859 38.000 -0.125 0.000 1.039 138 I HN -0.075 nan 8.210 nan 0.000 0.409 139 A N 0.293 123.182 122.820 0.115 0.000 2.019 139 A HA -0.132 4.188 4.320 0.000 0.000 0.219 139 A C 2.396 180.088 177.584 0.180 0.000 1.164 139 A CA 1.653 53.813 52.037 0.205 0.000 0.644 139 A CB -0.759 18.326 19.000 0.141 0.000 0.805 139 A HN 0.456 nan 8.150 nan 0.000 0.449 140 A N -1.848 121.030 122.820 0.097 0.000 2.209 140 A HA -0.025 4.295 4.320 0.000 0.000 0.212 140 A C 1.204 178.606 177.584 -0.305 0.000 1.158 140 A CA 0.876 52.861 52.037 -0.086 0.000 0.742 140 A CB -0.436 18.491 19.000 -0.123 0.000 0.790 140 A HN 0.647 nan 8.150 nan 0.000 0.472 141 H N -0.810 118.324 119.070 0.106 0.000 2.651 141 H HA 0.086 4.642 4.556 -0.000 0.000 0.241 141 H C 0.806 176.198 175.328 0.107 0.000 1.225 141 H CA 0.351 56.449 56.048 0.082 0.000 0.942 141 H CB 0.231 30.027 29.762 0.057 0.000 1.996 141 H HN 0.728 nan 8.280 nan 0.000 0.600 142 K N 0.029 120.542 120.400 0.189 0.000 2.063 142 K HA -0.163 4.157 4.320 0.000 0.000 0.208 142 K C 0.916 177.460 176.600 -0.094 0.000 1.048 142 K CA 1.725 58.019 56.287 0.011 0.000 0.928 142 K CB 0.213 32.687 32.500 -0.042 0.000 0.713 142 K HN -0.032 nan 8.250 nan 0.000 0.442 143 D N 1.189 121.572 120.400 -0.029 0.000 2.087 143 D HA -0.148 4.492 4.640 0.000 0.000 0.192 143 D C 1.911 178.216 176.300 0.008 0.000 0.993 143 D CA 1.592 55.577 54.000 -0.025 0.000 0.828 143 D CB -0.242 40.553 40.800 -0.009 0.000 0.968 143 D HN 0.289 nan 8.370 nan 0.000 0.448 144 E N -0.048 120.192 120.200 0.067 0.000 2.118 144 E HA -0.096 4.254 4.350 0.000 0.000 0.195 144 E C 1.882 178.516 176.600 0.056 0.000 0.992 144 E CA 0.606 57.054 56.400 0.079 0.000 0.804 144 E CB -0.162 29.631 29.700 0.155 0.000 0.741 144 E HN 0.325 nan 8.360 nan 0.000 0.458 145 L N 0.124 121.392 121.223 0.076 0.000 2.591 145 L HA 0.071 4.411 4.340 0.000 0.000 0.228 145 L C 0.505 177.398 176.870 0.039 0.000 1.133 145 L CA 0.110 55.000 54.840 0.084 0.000 0.880 145 L CB 0.019 42.178 42.059 0.166 0.000 1.033 145 L HN 0.135 nan 8.230 nan 0.000 0.450 146 D N 0.637 121.023 120.400 -0.025 0.000 3.028 146 D HA -0.190 4.450 4.640 0.000 0.000 0.207 146 D C 1.101 177.291 176.300 -0.183 0.000 1.100 146 D CA 1.081 55.040 54.000 -0.067 0.000 0.995 146 D CB -0.694 40.101 40.800 -0.009 0.000 1.108 146 D HN 0.585 nan 8.370 nan 0.000 0.421 147 G N 0.376 108.965 108.800 -0.353 0.000 2.182 147 G HA2 -0.304 3.656 3.960 0.000 0.000 0.248 147 G HA3 -0.304 3.656 3.960 0.000 0.000 0.248 147 G C -0.015 174.608 174.900 -0.461 0.000 1.042 147 G CA 0.837 45.408 45.100 -0.883 0.000 0.775 147 G HN 0.438 nan 8.290 nan 0.000 0.501 148 K N -0.067 120.300 120.400 -0.055 0.000 2.345 148 K HA 0.658 4.978 4.320 0.000 0.000 0.255 148 K C -0.023 176.743 176.600 0.275 0.000 0.934 148 K CA -0.837 55.499 56.287 0.081 0.000 0.801 148 K CB 2.185 34.658 32.500 -0.046 0.000 1.137 148 K HN 0.204 nan 8.250 nan 0.000 0.424 149 I N 2.929 123.641 120.570 0.237 0.000 2.404 149 I HA 0.262 4.432 4.170 0.000 0.000 0.293 149 I C -0.814 175.383 176.117 0.133 0.000 0.992 149 I CA -1.081 60.365 61.300 0.243 0.000 1.149 149 I CB 0.865 38.979 38.000 0.190 0.000 1.315 149 I HN 0.425 nan 8.210 nan 0.000 0.446 150 Y N 4.133 124.520 120.300 0.145 0.000 2.367 150 Y HA 0.501 5.051 4.550 -0.000 0.000 0.342 150 Y C 0.906 176.908 175.900 0.171 0.000 0.979 150 Y CA -0.371 57.812 58.100 0.139 0.000 1.161 150 Y CB 1.298 39.826 38.460 0.113 0.000 1.155 150 Y HN 0.624 nan 8.280 nan 0.000 0.503 151 G N 2.864 111.809 108.800 0.243 0.000 2.702 151 G HA2 0.567 4.527 3.960 0.000 0.000 0.254 151 G HA3 0.567 4.527 3.960 0.000 0.000 0.254 151 G C 0.362 175.396 174.900 0.223 0.000 1.380 151 G CA -0.764 44.475 45.100 0.232 0.000 1.042 151 G HN 0.642 nan 8.290 nan 0.000 0.557 152 I N -2.288 118.397 120.570 0.192 0.000 6.024 152 I HA 0.446 4.616 4.170 0.000 0.000 0.171 152 I C 0.570 176.788 176.117 0.168 0.000 0.887 152 I CA -0.570 60.839 61.300 0.182 0.000 2.149 152 I CB -0.290 37.796 38.000 0.144 0.000 1.345 152 I HN 0.502 nan 8.210 nan 0.000 0.494 153 E N 2.199 122.515 120.200 0.193 0.000 2.398 153 E HA 0.226 4.576 4.350 0.000 0.000 0.263 153 E C -2.518 174.164 176.600 0.138 0.000 1.046 153 E CA -1.718 54.781 56.400 0.165 0.000 0.908 153 E CB -0.357 29.455 29.700 0.187 0.000 0.963 153 E HN 0.252 nan 8.360 nan 0.000 0.431 154 P HA 0.024 nan 4.420 nan 0.000 0.264 154 P C 0.575 177.931 177.300 0.093 0.000 1.183 154 P CA 1.504 64.655 63.100 0.085 0.000 0.763 154 P CB 0.407 32.144 31.700 0.062 0.000 0.807 155 G N 1.505 110.359 108.800 0.091 0.000 2.175 155 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 155 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 155 G C 0.336 175.316 174.900 0.133 0.000 0.982 155 G CA -0.383 44.775 45.100 0.096 0.000 0.641 155 G HN 0.704 nan 8.290 nan 0.000 0.527 156 N N 1.155 119.947 118.700 0.153 0.000 2.520 156 N HA 0.139 4.879 4.740 0.000 0.000 0.273 156 N C 1.629 177.234 175.510 0.158 0.000 1.155 156 N CA 0.362 53.530 53.050 0.196 0.000 0.967 156 N CB 0.614 39.215 38.487 0.190 0.000 1.092 156 N HN 0.290 nan 8.380 nan 0.000 0.457 157 D N 3.379 123.891 120.400 0.187 0.000 2.149 157 D HA -0.206 4.434 4.640 0.000 0.000 0.194 157 D C 1.584 177.922 176.300 0.064 0.000 1.001 157 D CA 1.720 55.801 54.000 0.135 0.000 0.849 157 D CB -0.834 40.084 40.800 0.197 0.000 0.939 157 D HN 0.705 nan 8.370 nan 0.000 0.449 158 G N 0.767 109.645 108.800 0.130 0.000 2.434 158 G HA2 -0.264 3.696 3.960 0.000 0.000 0.214 158 G HA3 -0.264 3.696 3.960 0.000 0.000 0.214 158 G C 1.611 176.584 174.900 0.120 0.000 1.202 158 G CA 0.705 45.867 45.100 0.103 0.000 0.788 158 G HN 0.356 nan 8.290 nan 0.000 0.539 159 N N 0.398 119.183 118.700 0.142 0.000 2.094 159 N HA -0.189 4.551 4.740 0.000 0.000 0.191 159 N C 2.287 177.847 175.510 0.084 0.000 1.023 159 N CA 1.026 54.152 53.050 0.127 0.000 0.857 159 N CB -0.215 38.345 38.487 0.121 0.000 1.013 159 N HN 0.276 nan 8.380 nan 0.000 0.426 160 R N 1.671 122.206 120.500 0.059 0.000 2.112 160 R HA -0.169 4.171 4.340 0.000 0.000 0.242 160 R C 2.238 178.532 176.300 -0.010 0.000 1.137 160 R CA 1.283 57.398 56.100 0.025 0.000 0.944 160 R CB -0.466 29.844 30.300 0.017 0.000 0.857 160 R HN 0.228 nan 8.270 nan 0.000 0.435 161 L N 0.542 121.724 121.223 -0.068 0.000 1.976 161 L HA -0.212 4.128 4.340 0.000 0.000 0.209 161 L C 2.615 179.476 176.870 -0.015 0.000 1.071 161 L CA 1.656 56.401 54.840 -0.158 0.000 0.746 161 L CB -0.428 41.312 42.059 -0.532 0.000 0.890 161 L HN 0.305 nan 8.230 nan 0.000 0.432 162 I N -0.358 120.276 120.570 0.107 0.000 2.248 162 I HA -0.360 3.810 4.170 0.000 0.000 0.248 162 I C 2.432 178.606 176.117 0.095 0.000 1.107 162 I CA 1.524 62.924 61.300 0.166 0.000 1.373 162 I CB -0.348 37.769 38.000 0.196 0.000 1.055 162 I HN 0.203 nan 8.210 nan 0.000 0.418 163 I N 0.865 121.476 120.570 0.069 0.000 2.127 163 I HA -0.340 3.830 4.170 0.000 0.000 0.241 163 I C 2.265 178.401 176.117 0.032 0.000 1.075 163 I CA 1.939 63.270 61.300 0.052 0.000 1.334 163 I CB -0.296 37.729 38.000 0.042 0.000 1.040 163 I HN 0.221 nan 8.210 nan 0.000 0.405 164 D N 0.067 120.473 120.400 0.010 0.000 2.178 164 D HA -0.187 4.453 4.640 0.000 0.000 0.202 164 D C 2.297 178.589 176.300 -0.012 0.000 0.974 164 D CA 1.186 55.180 54.000 -0.010 0.000 0.841 164 D CB 0.029 40.808 40.800 -0.036 0.000 0.953 164 D HN 0.195 nan 8.370 nan 0.000 0.478 165 M N -0.627 118.977 119.600 0.008 0.000 2.279 165 M HA -0.124 4.356 4.480 0.000 0.000 0.264 165 M C 1.709 178.013 176.300 0.007 0.000 1.062 165 M CA 0.764 56.071 55.300 0.012 0.000 1.099 165 M CB 0.205 32.872 32.600 0.111 0.000 1.394 165 M HN 0.030 nan 8.290 nan 0.000 0.426 166 V N -0.106 119.825 119.914 0.027 0.000 2.825 166 V HA -0.130 3.990 4.120 0.000 0.000 0.246 166 V C 1.750 177.870 176.094 0.044 0.000 1.068 166 V CA 1.251 63.579 62.300 0.046 0.000 1.088 166 V CB -0.245 31.631 31.823 0.088 0.000 0.733 166 V HN 0.478 nan 8.190 nan 0.000 0.468 167 E N 0.190 120.406 120.200 0.027 0.000 2.152 167 E HA -0.191 4.159 4.350 0.000 0.000 0.192 167 E C 1.961 178.563 176.600 0.002 0.000 0.983 167 E CA 0.839 57.250 56.400 0.018 0.000 0.818 167 E CB -0.073 29.634 29.700 0.011 0.000 0.758 167 E HN 0.431 nan 8.360 nan 0.000 0.467 168 K N -0.228 120.163 120.400 -0.016 0.000 2.167 168 K HA 0.023 4.343 4.320 0.000 0.000 0.203 168 K C 1.155 177.734 176.600 -0.034 0.000 1.052 168 K CA 0.864 57.130 56.287 -0.035 0.000 0.956 168 K CB 0.260 32.721 32.500 -0.065 0.000 0.735 168 K HN 0.270 nan 8.250 nan 0.000 0.451 169 G N 0.634 109.420 108.800 -0.024 0.000 2.134 169 G HA2 -0.206 3.754 3.960 0.000 0.000 0.209 169 G HA3 -0.206 3.754 3.960 0.000 0.000 0.209 169 G C -0.096 174.768 174.900 -0.059 0.000 0.993 169 G CA 0.063 45.154 45.100 -0.015 0.000 0.669 169 G HN 0.222 nan 8.290 nan 0.000 0.519 170 T N 0.559 115.042 114.554 -0.118 0.000 2.784 170 T HA 0.377 4.727 4.350 0.000 0.000 0.291 170 T C 0.926 175.501 174.700 -0.208 0.000 0.942 170 T CA 1.115 63.033 62.100 -0.304 0.000 1.161 170 T CB -0.385 68.253 68.868 -0.383 0.000 0.885 170 T HN 0.927 nan 8.240 nan 0.000 0.534 171 F N 1.562 121.514 119.950 0.003 0.000 3.058 171 F HA -0.235 4.292 4.527 -0.000 0.000 0.295 171 F C 0.831 176.626 175.800 -0.009 0.000 0.875 171 F CA 0.329 58.336 58.000 0.011 0.000 1.150 171 F CB -2.161 36.865 39.000 0.043 0.000 1.175 171 F HN 0.782 nan 8.300 nan 0.000 0.599 172 D N 0.703 121.170 120.400 0.112 0.000 2.708 172 D HA -0.220 4.420 4.640 0.000 0.000 0.236 172 D C 0.447 176.810 176.300 0.104 0.000 1.146 172 D CA 0.876 54.936 54.000 0.100 0.000 0.662 172 D CB -0.800 40.069 40.800 0.115 0.000 1.059 172 D HN 0.622 nan 8.370 nan 0.000 0.428 173 L N -0.224 121.023 121.223 0.040 0.000 2.728 173 L HA 0.178 4.518 4.340 0.000 0.000 0.235 173 L C 1.083 178.072 176.870 0.199 0.000 1.197 173 L CA -0.341 54.441 54.840 -0.097 0.000 0.992 173 L CB -0.033 41.883 42.059 -0.239 0.000 1.263 173 L HN 0.070 nan 8.230 nan 0.000 0.484 174 K N -0.229 120.300 120.400 0.215 0.000 2.382 174 K HA 0.246 4.566 4.320 0.000 0.000 0.275 174 K C 1.186 177.940 176.600 0.257 0.000 1.009 174 K CA 0.987 57.389 56.287 0.192 0.000 0.970 174 K CB 0.637 33.205 32.500 0.114 0.000 0.934 174 K HN 0.219 nan 8.250 nan 0.000 0.479 175 G N 2.532 111.437 108.800 0.176 0.000 2.179 175 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 175 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 175 G C -0.118 174.828 174.900 0.077 0.000 0.977 175 G CA -0.220 44.938 45.100 0.097 0.000 0.641 175 G HN 0.457 nan 8.290 nan 0.000 0.533 176 F N 1.120 121.087 119.950 0.028 0.000 2.410 176 F HA 0.535 5.062 4.527 0.000 0.000 0.334 176 F C 0.864 176.671 175.800 0.011 0.000 1.134 176 F CA 0.189 58.206 58.000 0.027 0.000 1.227 176 F CB 0.982 40.010 39.000 0.046 0.000 1.194 176 F HN 0.230 nan 8.300 nan 0.000 0.571 177 E N 1.192 121.475 120.200 0.138 0.000 2.176 177 E HA 0.472 4.822 4.350 0.000 0.000 0.267 177 E C -1.743 174.886 176.600 0.049 0.000 0.893 177 E CA -0.731 55.705 56.400 0.061 0.000 0.761 177 E CB 1.453 31.141 29.700 -0.019 0.000 1.133 177 E HN 0.357 nan 8.360 nan 0.000 0.409 178 V N 5.476 125.415 119.914 0.042 0.000 2.267 178 V HA 0.091 4.211 4.120 0.000 0.000 0.254 178 V C -0.071 175.992 176.094 -0.052 0.000 1.144 178 V CA -0.630 61.683 62.300 0.021 0.000 0.992 178 V CB 0.522 32.384 31.823 0.064 0.000 1.199 178 V HN 0.560 nan 8.190 nan 0.000 0.493 179 V N 5.541 125.334 119.914 -0.201 0.000 2.400 179 V HA 0.061 4.181 4.120 0.000 0.000 0.263 179 V C 0.788 176.821 176.094 -0.102 0.000 1.026 179 V CA 0.009 62.154 62.300 -0.259 0.000 1.077 179 V CB -0.591 30.835 31.823 -0.661 0.000 1.054 179 V HN 0.835 nan 8.190 nan 0.000 0.477 180 E N 3.589 123.781 120.200 -0.013 0.000 2.277 180 E HA 0.578 4.928 4.350 0.000 0.000 0.274 180 E C 0.535 177.177 176.600 0.071 0.000 1.022 180 E CA 0.143 56.575 56.400 0.053 0.000 0.853 180 E CB 1.659 31.393 29.700 0.058 0.000 1.086 180 E HN 0.777 nan 8.360 nan 0.000 0.397 181 S N 0.920 116.683 115.700 0.105 0.000 5.776 181 S HA 0.173 4.643 4.470 0.000 0.000 0.126 181 S C -0.143 174.529 174.600 0.121 0.000 1.108 181 S CA 0.177 58.439 58.200 0.104 0.000 1.418 181 S CB 0.414 63.680 63.200 0.110 0.000 2.040 181 S HN 0.726 nan 8.310 nan 0.000 0.591 182 S N 0.085 115.873 115.700 0.147 0.000 2.707 182 S HA 0.381 4.851 4.470 0.000 0.000 0.270 182 S C 0.249 174.968 174.600 0.197 0.000 1.031 182 S CA 0.097 58.402 58.200 0.176 0.000 0.866 182 S CB 0.775 64.067 63.200 0.152 0.000 1.114 182 S HN 0.560 nan 8.310 nan 0.000 0.465 183 E N 0.449 120.801 120.200 0.253 0.000 2.130 183 E HA -0.297 4.053 4.350 0.000 0.000 0.196 183 E C 1.476 178.197 176.600 0.202 0.000 0.998 183 E CA 2.103 58.677 56.400 0.291 0.000 0.806 183 E CB -0.235 29.710 29.700 0.409 0.000 0.738 183 E HN 0.599 nan 8.360 nan 0.000 0.459 184 Q N -0.343 119.560 119.800 0.171 0.000 2.016 184 Q HA -0.034 4.306 4.340 0.000 0.000 0.200 184 Q C 2.198 178.250 176.000 0.087 0.000 0.978 184 Q CA 1.691 57.564 55.803 0.117 0.000 0.833 184 Q CB -0.494 28.305 28.738 0.100 0.000 0.895 184 Q HN 0.413 nan 8.270 nan 0.000 0.427 185 G N 0.186 109.044 108.800 0.096 0.000 2.403 185 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 185 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 185 G C 1.361 176.307 174.900 0.077 0.000 1.154 185 G CA 0.657 45.808 45.100 0.085 0.000 0.784 185 G HN 0.239 nan 8.290 nan 0.000 0.538 186 M N 0.187 119.845 119.600 0.098 0.000 2.067 186 M HA 0.013 4.493 4.480 0.000 0.000 0.260 186 M C 2.508 178.740 176.300 -0.114 0.000 1.069 186 M CA 1.397 56.736 55.300 0.065 0.000 1.117 186 M CB -0.281 32.407 32.600 0.146 0.000 1.334 186 M HN 0.213 nan 8.290 nan 0.000 0.407 187 L N 0.441 121.611 121.223 -0.089 0.000 2.127 187 L HA -0.164 4.176 4.340 0.000 0.000 0.211 187 L C 2.770 179.616 176.870 -0.041 0.000 1.089 187 L CA 1.071 55.852 54.840 -0.099 0.000 0.757 187 L CB -1.200 40.843 42.059 -0.027 0.000 0.899 187 L HN 0.403 nan 8.230 nan 0.000 0.434 188 A N -0.059 122.747 122.820 -0.024 0.000 1.908 188 A HA -0.294 4.026 4.320 0.000 0.000 0.218 188 A C 2.289 179.827 177.584 -0.075 0.000 1.181 188 A CA 2.058 54.087 52.037 -0.014 0.000 0.627 188 A CB -0.498 18.511 19.000 0.014 0.000 0.818 188 A HN 0.433 nan 8.150 nan 0.000 0.445 189 Q N -0.064 119.649 119.800 -0.145 0.000 2.083 189 Q HA -0.082 4.258 4.340 0.000 0.000 0.198 189 Q C 1.816 177.599 176.000 -0.363 0.000 0.969 189 Q CA 1.952 57.603 55.803 -0.253 0.000 0.838 189 Q CB -0.562 27.926 28.738 -0.416 0.000 0.900 189 Q HN 0.374 nan 8.270 nan 0.000 0.436 190 V N 1.254 120.891 119.914 -0.462 0.000 2.250 190 V HA -0.358 3.762 4.120 0.000 0.000 0.250 190 V C 2.377 178.133 176.094 -0.563 0.000 1.060 190 V CA 2.078 64.004 62.300 -0.624 0.000 1.030 190 V CB -1.807 29.506 31.823 -0.849 0.000 0.643 190 V HN 0.523 nan 8.190 nan 0.000 0.445 191 A N 0.653 123.278 122.820 -0.324 0.000 1.873 191 A HA -0.270 4.050 4.320 0.000 0.000 0.218 191 A C 2.401 179.890 177.584 -0.158 0.000 1.193 191 A CA 2.361 54.315 52.037 -0.139 0.000 0.629 191 A CB -0.564 18.487 19.000 0.086 0.000 0.826 191 A HN 0.582 nan 8.150 nan 0.000 0.447 192 R N -0.555 119.859 120.500 -0.144 0.000 2.073 192 R HA -0.078 4.262 4.340 0.000 0.000 0.234 192 R C 2.452 178.665 176.300 -0.143 0.000 1.134 192 R CA 1.331 57.362 56.100 -0.115 0.000 0.952 192 R CB -0.818 29.426 30.300 -0.093 0.000 0.850 192 R HN 0.501 nan 8.270 nan 0.000 0.433 193 A N 1.781 124.477 122.820 -0.207 0.000 1.978 193 A HA -0.174 4.146 4.320 0.000 0.000 0.220 193 A C 2.015 179.474 177.584 -0.208 0.000 1.170 193 A CA 1.279 53.192 52.037 -0.207 0.000 0.636 193 A CB -0.244 18.597 19.000 -0.265 0.000 0.810 193 A HN 0.259 nan 8.150 nan 0.000 0.448 194 E N -0.375 119.667 120.200 -0.263 0.000 2.106 194 E HA -0.167 4.183 4.350 0.000 0.000 0.192 194 E C 1.998 178.516 176.600 -0.136 0.000 0.984 194 E CA 1.221 57.475 56.400 -0.243 0.000 0.806 194 E CB -0.134 29.364 29.700 -0.337 0.000 0.750 194 E HN 0.447 nan 8.360 nan 0.000 0.458 195 K N 1.025 121.361 120.400 -0.107 0.000 1.985 195 K HA -0.101 4.219 4.320 0.000 0.000 0.210 195 K C 2.270 178.831 176.600 -0.065 0.000 1.047 195 K CA 1.782 58.029 56.287 -0.067 0.000 0.932 195 K CB -0.574 31.895 32.500 -0.051 0.000 0.716 195 K HN 0.079 nan 8.250 nan 0.000 0.439 196 S N -1.321 114.336 115.700 -0.072 0.000 2.383 196 S HA -0.058 4.412 4.470 0.000 0.000 0.229 196 S C 1.587 176.152 174.600 -0.059 0.000 1.030 196 S CA 1.257 59.422 58.200 -0.058 0.000 1.002 196 S CB -0.709 62.455 63.200 -0.059 0.000 0.829 196 S HN 0.533 nan 8.310 nan 0.000 0.467 197 G N 1.197 109.951 108.800 -0.077 0.000 2.134 197 G HA2 -0.151 3.809 3.960 0.000 0.000 0.209 197 G HA3 -0.151 3.809 3.960 0.000 0.000 0.209 197 G C -0.470 174.386 174.900 -0.074 0.000 0.993 197 G CA 0.048 45.104 45.100 -0.074 0.000 0.669 197 G HN 0.553 nan 8.290 nan 0.000 0.519 198 D N 1.331 121.682 120.400 -0.081 0.000 2.329 198 D HA 0.427 5.067 4.640 0.000 0.000 0.246 198 D C -1.987 174.258 176.300 -0.091 0.000 1.111 198 D CA -0.860 53.097 54.000 -0.072 0.000 0.941 198 D CB 1.632 42.396 40.800 -0.060 0.000 1.169 198 D HN 0.194 nan 8.370 nan 0.000 0.441 199 P HA 0.387 nan 4.420 nan 0.000 0.276 199 P C -0.379 176.881 177.300 -0.068 0.000 1.252 199 P CA -0.376 62.669 63.100 -0.091 0.000 0.802 199 P CB 1.597 33.232 31.700 -0.108 0.000 1.035 200 I N -1.003 119.532 120.570 -0.058 0.000 2.763 200 I HA 0.297 4.467 4.170 0.000 0.000 0.292 200 I C -2.033 174.112 176.117 0.046 0.000 1.610 200 I CA -0.943 60.354 61.300 -0.004 0.000 1.002 200 I CB 2.082 40.023 38.000 -0.098 0.000 1.416 200 I HN -0.027 nan 8.210 nan 0.000 0.479 201 V N 7.136 127.114 119.914 0.105 0.000 2.531 201 V HA 0.661 4.781 4.120 0.000 0.000 0.301 201 V C -0.645 175.532 176.094 0.138 0.000 1.034 201 V CA -0.366 61.934 62.300 0.001 0.000 0.865 201 V CB 1.433 33.209 31.823 -0.079 0.000 0.995 201 V HN 0.652 nan 8.190 nan 0.000 0.424 202 F N 2.456 122.354 119.950 -0.087 0.000 2.869 202 F HA 0.775 5.302 4.527 -0.000 0.000 0.325 202 F C -1.179 174.592 175.800 -0.048 0.000 1.184 202 F CA -1.560 56.433 58.000 -0.012 0.000 0.951 202 F CB 1.357 40.344 39.000 -0.021 0.000 1.421 202 F HN 0.204 nan 8.300 nan 0.000 0.501 203 L N 1.810 123.200 121.223 0.277 0.000 2.313 203 L HA 0.599 4.939 4.340 0.000 0.000 0.282 203 L C 0.413 177.536 176.870 0.423 0.000 1.092 203 L CA -0.190 54.805 54.840 0.258 0.000 0.831 203 L CB 0.502 42.833 42.059 0.453 0.000 1.159 203 L HN 0.919 nan 8.230 nan 0.000 0.442 204 G N 2.560 111.458 108.800 0.164 0.000 2.473 204 G HA2 0.698 4.658 3.960 0.000 0.000 0.321 204 G HA3 0.698 4.658 3.960 0.000 0.000 0.321 204 G C -1.980 173.331 174.900 0.686 0.000 1.200 204 G CA -0.453 44.753 45.100 0.177 0.000 0.963 204 G HN 0.750 nan 8.290 nan 0.000 0.483 205 W N -0.153 121.336 121.300 0.315 0.000 3.464 205 W HA 0.635 5.295 4.660 0.000 0.000 0.292 205 W C -0.843 175.805 176.519 0.216 0.000 1.262 205 W CA -1.049 56.431 57.345 0.226 0.000 1.202 205 W CB 0.860 30.242 29.460 -0.130 0.000 1.334 205 W HN 0.482 nan 8.180 nan 0.000 0.561 206 E N 3.026 123.430 120.200 0.341 0.000 2.248 206 E HA 0.404 4.754 4.350 0.000 0.000 0.272 206 E C -2.262 174.643 176.600 0.508 0.000 1.008 206 E CA -1.844 54.735 56.400 0.299 0.000 0.856 206 E CB 1.899 31.706 29.700 0.178 0.000 1.120 206 E HN 0.143 nan 8.360 nan 0.000 0.397 207 P HA 0.181 nan 4.420 nan 0.000 0.285 207 P C -0.815 176.635 177.300 0.250 0.000 1.259 207 P CA 0.130 63.379 63.100 0.248 0.000 0.794 207 P CB 1.102 32.899 31.700 0.162 0.000 0.940 208 H N 2.897 121.949 119.070 -0.031 0.000 3.112 208 H HA 0.197 4.753 4.556 -0.000 0.000 0.347 208 H C -2.292 172.951 175.328 -0.141 0.000 1.188 208 H CA -1.458 54.505 56.048 -0.143 0.000 1.240 208 H CB 2.375 31.841 29.762 -0.492 0.000 1.920 208 H HN 0.040 nan 8.280 nan 0.000 0.535 209 P HA -0.145 nan 4.420 nan 0.000 0.221 209 P C 1.848 179.117 177.300 -0.052 0.000 1.145 209 P CA 1.698 64.712 63.100 -0.143 0.000 0.795 209 P CB -0.116 31.441 31.700 -0.239 0.000 0.775 210 M N -2.014 117.668 119.600 0.137 0.000 2.195 210 M HA -0.163 4.317 4.480 0.000 0.000 0.260 210 M C 1.320 177.596 176.300 -0.040 0.000 1.066 210 M CA 1.958 57.220 55.300 -0.063 0.000 1.089 210 M CB -0.948 31.539 32.600 -0.188 0.000 1.377 210 M HN -0.181 nan 8.290 nan 0.000 0.411 211 N N 0.908 119.603 118.700 -0.008 0.000 2.453 211 N HA 0.004 4.744 4.740 0.000 0.000 0.183 211 N C 1.583 177.098 175.510 0.009 0.000 1.041 211 N CA 1.506 54.571 53.050 0.025 0.000 0.900 211 N CB 0.018 38.542 38.487 0.062 0.000 0.961 211 N HN 0.657 nan 8.380 nan 0.000 0.443 212 A N 0.431 123.235 122.820 -0.026 0.000 2.055 212 A HA 0.155 4.475 4.320 0.000 0.000 0.205 212 A C 1.748 179.292 177.584 -0.067 0.000 1.235 212 A CA 0.159 52.175 52.037 -0.036 0.000 0.822 212 A CB -0.040 18.934 19.000 -0.043 0.000 0.903 212 A HN 0.238 nan 8.150 nan 0.000 0.473 213 N N -1.626 116.984 118.700 -0.149 0.000 2.395 213 N HA 0.228 4.968 4.740 0.000 0.000 0.175 213 N C -0.411 174.944 175.510 -0.258 0.000 1.029 213 N CA 0.254 53.135 53.050 -0.281 0.000 0.897 213 N CB 0.255 38.449 38.487 -0.488 0.000 0.991 213 N HN 0.429 nan 8.380 nan 0.000 0.441 214 F N 0.241 120.157 119.950 -0.056 0.000 2.579 214 F HA 0.422 4.949 4.527 0.000 0.000 0.324 214 F C 0.107 175.873 175.800 -0.056 0.000 1.058 214 F CA -1.326 56.633 58.000 -0.067 0.000 0.944 214 F CB 1.624 40.567 39.000 -0.095 0.000 1.245 214 F HN -0.405 nan 8.300 nan 0.000 0.477 215 K N 3.516 124.010 120.400 0.157 0.000 2.319 215 K HA 0.359 4.679 4.320 0.000 0.000 0.237 215 K C -1.125 175.469 176.600 -0.009 0.000 1.113 215 K CA -0.262 56.052 56.287 0.045 0.000 1.072 215 K CB -0.333 32.176 32.500 0.015 0.000 1.734 215 K HN 0.441 nan 8.250 nan 0.000 0.429 216 L N -0.985 120.222 121.223 -0.028 0.000 2.360 216 L HA 0.658 4.998 4.340 0.000 0.000 0.271 216 L C 0.187 176.926 176.870 -0.218 0.000 1.057 216 L CA -0.810 53.951 54.840 -0.132 0.000 0.803 216 L CB 1.357 43.311 42.059 -0.175 0.000 1.207 216 L HN 0.008 nan 8.230 nan 0.000 0.445 217 T N 0.038 114.417 114.554 -0.292 0.000 2.779 217 T HA 0.402 4.752 4.350 0.000 0.000 0.280 217 T C -0.789 173.670 174.700 -0.402 0.000 0.987 217 T CA -0.140 61.796 62.100 -0.273 0.000 0.966 217 T CB 0.511 69.267 68.868 -0.186 0.000 0.933 217 T HN 0.303 nan 8.240 nan 0.000 0.442 218 Y N 3.468 123.570 120.300 -0.330 0.000 2.556 218 Y HA 0.299 4.849 4.550 0.000 0.000 0.352 218 Y C 0.778 176.540 175.900 -0.230 0.000 1.006 218 Y CA -0.772 57.112 58.100 -0.359 0.000 1.277 218 Y CB -0.118 38.042 38.460 -0.499 0.000 1.136 218 Y HN 0.470 nan 8.280 nan 0.000 0.523 219 L N 3.487 124.677 121.223 -0.056 0.000 2.543 219 L HA -0.018 4.322 4.340 0.000 0.000 0.285 219 L C 0.798 177.893 176.870 0.375 0.000 1.236 219 L CA 0.058 54.907 54.840 0.015 0.000 0.871 219 L CB 0.153 42.031 42.059 -0.301 0.000 1.121 219 L HN 0.587 nan 8.230 nan 0.000 0.501 220 S N 0.562 116.480 115.700 0.363 0.000 2.669 220 S HA 0.682 5.152 4.470 0.000 0.000 0.270 220 S C 0.950 175.702 174.600 0.254 0.000 1.225 220 S CA -0.155 58.210 58.200 0.276 0.000 0.991 220 S CB 1.591 64.876 63.200 0.142 0.000 0.987 220 S HN 1.100 nan 8.310 nan 0.000 0.552 221 G N -0.491 108.350 108.800 0.068 0.000 2.176 221 G HA2 -0.110 3.850 3.960 0.000 0.000 0.232 221 G HA3 -0.110 3.850 3.960 0.000 0.000 0.232 221 G C 0.619 175.326 174.900 -0.322 0.000 0.986 221 G CA -0.029 45.041 45.100 -0.050 0.000 0.643 221 G HN 1.484 nan 8.290 nan 0.000 0.522 222 G N -0.046 108.453 108.800 -0.502 0.000 3.448 222 G HA2 0.430 4.390 3.960 0.000 0.000 0.261 222 G HA3 0.430 4.390 3.960 0.000 0.000 0.261 222 G C 0.783 175.486 174.900 -0.328 0.000 1.173 222 G CA 1.011 45.465 45.100 -1.077 0.000 0.835 222 G HN 0.359 nan 8.290 nan 0.000 0.534 223 D N 0.848 121.142 120.400 -0.178 0.000 2.158 223 D HA -0.114 4.526 4.640 0.000 0.000 0.197 223 D C 1.485 177.747 176.300 -0.062 0.000 0.995 223 D CA 1.179 55.128 54.000 -0.085 0.000 0.846 223 D CB 0.225 40.983 40.800 -0.069 0.000 0.941 223 D HN 0.164 nan 8.370 nan 0.000 0.456 224 D N -1.030 119.329 120.400 -0.067 0.000 2.333 224 D HA 0.022 4.662 4.640 0.000 0.000 0.208 224 D C 1.843 178.099 176.300 -0.074 0.000 0.984 224 D CA 0.225 54.194 54.000 -0.052 0.000 0.873 224 D CB 0.493 41.273 40.800 -0.033 0.000 0.935 224 D HN 0.149 nan 8.370 nan 0.000 0.521 225 V N -0.724 119.134 119.914 -0.092 0.000 2.599 225 V HA 0.071 4.191 4.120 0.000 0.000 0.237 225 V C 1.481 177.454 176.094 -0.202 0.000 1.081 225 V CA 0.653 62.874 62.300 -0.132 0.000 1.107 225 V CB -0.208 31.582 31.823 -0.054 0.000 0.808 225 V HN -0.010 nan 8.190 nan 0.000 0.486 226 F N 0.493 120.374 119.950 -0.115 0.000 2.717 226 F HA 0.600 5.127 4.527 0.000 0.000 0.295 226 F C 1.149 176.946 175.800 -0.006 0.000 1.117 226 F CA 0.853 58.823 58.000 -0.050 0.000 1.361 226 F CB 0.840 39.835 39.000 -0.008 0.000 1.112 226 F HN 0.335 nan 8.300 nan 0.000 0.594 227 G N 0.491 109.360 108.800 0.116 0.000 2.592 227 G HA2 -0.017 3.943 3.960 0.000 0.000 0.685 227 G HA3 -0.017 3.943 3.960 0.000 0.000 0.685 227 G C -3.017 171.913 174.900 0.050 0.000 1.278 227 G CA -1.577 43.570 45.100 0.079 0.000 0.822 227 G HN -0.199 nan 8.290 nan 0.000 0.652 228 P HA 0.185 nan 4.420 nan 0.000 0.272 228 P C 0.644 177.919 177.300 -0.042 0.000 1.248 228 P CA 0.246 63.322 63.100 -0.039 0.000 0.799 228 P CB 0.229 31.910 31.700 -0.031 0.000 0.997 229 N N -1.306 117.310 118.700 -0.140 0.000 2.725 229 N HA -0.227 4.513 4.740 0.000 0.000 0.249 229 N C -0.559 174.938 175.510 -0.022 0.000 1.103 229 N CA 0.960 53.931 53.050 -0.131 0.000 0.707 229 N CB -2.197 36.288 38.487 -0.004 0.000 1.043 229 N HN 0.589 nan 8.380 nan 0.000 0.553 230 Y N -2.891 117.431 120.300 0.037 0.000 4.272 230 Y HA -0.244 4.306 4.550 0.000 0.000 0.232 230 Y C 1.284 177.207 175.900 0.039 0.000 1.149 230 Y CA 1.391 59.510 58.100 0.031 0.000 1.961 230 Y CB -1.465 36.956 38.460 -0.066 0.000 1.611 230 Y HN 0.524 nan 8.280 nan 0.000 0.682 231 G N -0.661 108.250 108.800 0.184 0.000 2.215 231 G HA2 0.021 3.981 3.960 0.000 0.000 0.198 231 G HA3 0.021 3.981 3.960 0.000 0.000 0.198 231 G C 0.379 175.416 174.900 0.229 0.000 1.047 231 G CA -0.017 45.224 45.100 0.234 0.000 0.747 231 G HN 1.311 nan 8.290 nan 0.000 0.495 232 G N -0.055 108.842 108.800 0.161 0.000 2.192 232 G HA2 0.579 4.539 3.960 0.000 0.000 0.258 232 G HA3 0.579 4.539 3.960 0.000 0.000 0.258 232 G C 0.465 175.472 174.900 0.178 0.000 1.185 232 G CA 1.047 46.236 45.100 0.148 0.000 0.976 232 G HN 1.768 nan 8.290 nan 0.000 0.446 233 A N 2.710 125.656 122.820 0.210 0.000 2.423 233 A HA 0.977 5.297 4.320 0.000 0.000 0.304 233 A C 0.201 177.853 177.584 0.114 0.000 1.104 233 A CA -0.230 51.956 52.037 0.249 0.000 0.757 233 A CB 1.899 21.184 19.000 0.476 0.000 1.313 233 A HN 1.339 nan 8.150 nan 0.000 0.423 234 T N -1.495 113.107 114.554 0.079 0.000 2.907 234 T HA 0.712 5.061 4.350 0.000 0.000 0.292 234 T C -0.666 173.883 174.700 -0.252 0.000 1.043 234 T CA -0.663 61.375 62.100 -0.104 0.000 1.003 234 T CB 1.225 70.071 68.868 -0.037 0.000 1.084 234 T HN 0.981 nan 8.240 nan 0.000 0.483 235 V N 2.462 122.045 119.914 -0.551 0.000 2.459 235 V HA 0.544 4.664 4.120 0.000 0.000 0.295 235 V C -0.241 175.566 176.094 -0.479 0.000 1.029 235 V CA -0.826 61.112 62.300 -0.605 0.000 0.874 235 V CB 0.900 32.178 31.823 -0.907 0.000 0.985 235 V HN 0.951 nan 8.190 nan 0.000 0.438 236 H N 1.415 120.356 119.070 -0.215 0.000 2.771 236 H HA 0.527 5.083 4.556 -0.000 0.000 0.367 236 H C -0.742 174.505 175.328 -0.134 0.000 1.172 236 H CA -0.719 55.252 56.048 -0.129 0.000 1.186 236 H CB 2.496 32.225 29.762 -0.055 0.000 1.790 236 H HN 0.570 nan 8.280 nan 0.000 0.556 237 T N 2.584 117.151 114.554 0.022 0.000 2.744 237 T HA 0.180 4.529 4.350 0.000 0.000 0.291 237 T C 0.330 175.058 174.700 0.046 0.000 0.957 237 T CA -0.925 61.168 62.100 -0.012 0.000 1.002 237 T CB 0.242 69.100 68.868 -0.016 0.000 0.919 237 T HN 0.355 nan 8.240 nan 0.000 0.468 238 N N 2.464 121.193 118.700 0.049 0.000 2.456 238 N HA 0.515 5.255 4.740 0.000 0.000 0.288 238 N C -0.035 175.499 175.510 0.040 0.000 1.059 238 N CA -0.499 52.608 53.050 0.096 0.000 0.946 238 N CB 1.837 40.432 38.487 0.180 0.000 1.150 238 N HN 0.528 nan 8.380 nan 0.000 0.479 239 V N -0.309 119.623 119.914 0.030 0.000 2.994 239 V HA 0.674 4.794 4.120 0.000 0.000 0.318 239 V C 0.490 176.566 176.094 -0.030 0.000 1.085 239 V CA -1.190 61.083 62.300 -0.044 0.000 0.998 239 V CB 1.662 33.514 31.823 0.049 0.000 1.063 239 V HN 0.703 nan 8.190 nan 0.000 0.447 240 R N 2.065 122.505 120.500 -0.100 0.000 2.577 240 R HA 0.737 5.077 4.340 0.000 0.000 0.269 240 R C 0.221 176.543 176.300 0.037 0.000 1.084 240 R CA 0.021 56.098 56.100 -0.039 0.000 1.163 240 R CB 0.768 31.013 30.300 -0.092 0.000 1.100 240 R HN 1.228 nan 8.270 nan 0.000 0.547 241 A N 0.857 123.706 122.820 0.049 0.000 2.553 241 A HA 0.348 4.668 4.320 0.000 0.000 0.258 241 A C 1.306 178.934 177.584 0.073 0.000 1.069 241 A CA 0.709 52.783 52.037 0.062 0.000 0.767 241 A CB -1.050 17.983 19.000 0.055 0.000 0.997 241 A HN 1.215 nan 8.150 nan 0.000 0.512 242 G N 1.274 110.123 108.800 0.082 0.000 2.218 242 G HA2 -0.314 3.646 3.960 0.000 0.000 0.216 242 G HA3 -0.314 3.646 3.960 0.000 0.000 0.216 242 G C 0.877 175.829 174.900 0.086 0.000 0.994 242 G CA 0.723 45.864 45.100 0.068 0.000 0.637 242 G HN 1.004 nan 8.290 nan 0.000 0.505 243 Y N 2.933 123.219 120.300 -0.023 0.000 2.207 243 Y HA -0.174 4.376 4.550 0.000 0.000 0.287 243 Y C 3.132 179.012 175.900 -0.032 0.000 1.156 243 Y CA 3.171 61.246 58.100 -0.040 0.000 1.182 243 Y CB -0.476 37.950 38.460 -0.057 0.000 0.979 243 Y HN 0.484 nan 8.280 nan 0.000 0.521 244 T N -3.102 111.477 114.554 0.041 0.000 2.685 244 T HA -0.312 4.038 4.350 0.000 0.000 0.268 244 T C 1.937 176.588 174.700 -0.081 0.000 1.034 244 T CA 2.274 64.360 62.100 -0.023 0.000 1.149 244 T CB -1.275 67.606 68.868 0.020 0.000 0.860 244 T HN 0.559 nan 8.240 nan 0.000 0.449 245 T N 0.202 114.718 114.554 -0.063 0.000 2.866 245 T HA 0.055 4.405 4.350 0.000 0.000 0.250 245 T C 1.954 176.580 174.700 -0.123 0.000 1.033 245 T CA 1.158 63.215 62.100 -0.072 0.000 1.145 245 T CB -0.452 68.395 68.868 -0.034 0.000 0.866 245 T HN 0.513 nan 8.240 nan 0.000 0.434 246 E N -0.133 119.993 120.200 -0.124 0.000 2.209 246 E HA -0.066 4.285 4.350 0.000 0.000 0.196 246 E C -0.374 176.085 176.600 -0.235 0.000 0.993 246 E CA 0.780 57.108 56.400 -0.120 0.000 0.819 246 E CB -0.018 29.667 29.700 -0.025 0.000 0.745 246 E HN 0.560 nan 8.360 nan 0.000 0.477 247 c N 1.097 119.418 118.600 -0.465 0.000 2.547 247 c HA 0.283 4.853 4.570 0.000 0.000 0.327 247 c C -1.589 172.262 174.090 -0.398 0.000 1.076 247 c CA -1.254 54.776 56.329 -0.499 0.000 1.390 247 c CB 1.466 43.490 42.510 -0.809 0.000 1.918 247 c HN 0.310 nan 8.230 nan 0.000 0.438 248 P HA -0.067 nan 4.420 nan 0.000 0.221 248 P C 0.972 178.221 177.300 -0.084 0.000 1.155 248 P CA 1.487 64.511 63.100 -0.127 0.000 0.812 248 P CB 0.593 32.250 31.700 -0.071 0.000 0.801 249 N N -0.285 118.379 118.700 -0.059 0.000 2.197 249 N HA -0.082 4.658 4.740 0.000 0.000 0.184 249 N C 1.842 177.378 175.510 0.042 0.000 1.030 249 N CA 0.479 53.547 53.050 0.029 0.000 0.851 249 N CB -0.871 37.686 38.487 0.117 0.000 1.003 249 N HN -0.264 nan 8.380 nan 0.000 0.430 250 V N 1.193 121.085 119.914 -0.036 0.000 2.568 250 V HA -0.194 3.926 4.120 0.000 0.000 0.253 250 V C 1.822 177.936 176.094 0.033 0.000 1.072 250 V CA 2.740 65.032 62.300 -0.012 0.000 1.084 250 V CB -1.087 30.619 31.823 -0.195 0.000 0.676 250 V HN 0.587 nan 8.190 nan 0.000 0.469 251 D N -1.383 118.983 120.400 -0.057 0.000 2.224 251 D HA -0.187 4.453 4.640 0.000 0.000 0.205 251 D C 2.021 178.339 176.300 0.030 0.000 0.965 251 D CA 1.202 55.199 54.000 -0.005 0.000 0.852 251 D CB -0.324 nan 40.800 nan 0.000 0.947 251 D HN 0.442 nan 8.370 nan 0.000 0.494 252 K N -0.020 120.397 120.400 0.029 0.000 2.002 252 K HA -0.037 4.283 4.320 0.000 0.000 0.209 252 K C 2.149 178.791 176.600 0.070 0.000 1.048 252 K CA 1.225 57.540 56.287 0.046 0.000 0.930 252 K CB -0.762 31.769 32.500 0.051 0.000 0.714 252 K HN 0.460 nan 8.250 nan 0.000 0.438 253 L N 0.237 121.519 121.223 0.099 0.000 2.042 253 L HA -0.156 4.184 4.340 0.000 0.000 0.210 253 L C 1.837 178.748 176.870 0.069 0.000 1.076 253 L CA 1.593 56.501 54.840 0.115 0.000 0.749 253 L CB -0.317 41.835 42.059 0.155 0.000 0.893 253 L HN 0.183 nan 8.230 nan 0.000 0.432 254 L N -0.601 120.666 121.223 0.073 0.000 2.017 254 L HA -0.220 4.120 4.340 0.000 0.000 0.208 254 L C 2.795 179.666 176.870 0.003 0.000 1.073 254 L CA 1.660 56.528 54.840 0.046 0.000 0.745 254 L CB -0.919 41.199 42.059 0.097 0.000 0.894 254 L HN 0.417 nan 8.230 nan 0.000 0.432 255 Q N -0.002 119.812 119.800 0.022 0.000 2.234 255 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 255 Q C 1.753 177.754 176.000 0.001 0.000 0.980 255 Q CA 1.341 57.151 55.803 0.011 0.000 0.869 255 Q CB -0.188 28.563 28.738 0.022 0.000 0.912 255 Q HN 0.582 nan 8.270 nan 0.000 0.436 256 N N 0.084 118.796 118.700 0.022 0.000 2.402 256 N HA 0.032 4.772 4.740 0.000 0.000 0.174 256 N C 0.401 175.920 175.510 0.015 0.000 1.027 256 N CA 0.221 53.304 53.050 0.055 0.000 0.891 256 N CB 0.201 38.763 38.487 0.126 0.000 1.016 256 N HN 0.171 nan 8.380 nan 0.000 0.439 257 L N 2.712 123.871 121.223 -0.106 0.000 2.565 257 L HA 0.030 4.370 4.340 0.000 0.000 0.275 257 L C -0.040 176.490 176.870 -0.567 0.000 1.137 257 L CA 0.124 54.740 54.840 -0.372 0.000 0.915 257 L CB -0.172 41.665 42.059 -0.370 0.000 1.232 257 L HN 0.155 nan 8.230 nan 0.000 0.473 258 S N 3.336 118.713 115.700 -0.538 0.000 2.671 258 S HA 0.767 5.237 4.470 0.000 0.000 0.299 258 S C -0.761 173.452 174.600 -0.645 0.000 1.116 258 S CA -0.836 56.960 58.200 -0.673 0.000 0.912 258 S CB 1.989 65.046 63.200 -0.240 0.000 1.130 258 S HN 0.316 nan 8.310 nan 0.000 0.501 259 F N 0.384 120.324 119.950 -0.017 0.000 2.640 259 F HA 0.763 5.290 4.527 0.000 0.000 0.324 259 F C 0.458 176.274 175.800 0.027 0.000 1.077 259 F CA -0.961 57.042 58.000 0.004 0.000 0.965 259 F CB 2.213 41.160 39.000 -0.090 0.000 1.351 259 F HN 0.816 nan 8.300 nan 0.000 0.487 260 S N 0.066 115.920 115.700 0.257 0.000 2.634 260 S HA 0.566 5.036 4.470 0.000 0.000 0.296 260 S C 0.003 174.666 174.600 0.105 0.000 1.104 260 S CA -0.740 57.552 58.200 0.154 0.000 0.920 260 S CB 1.688 64.983 63.200 0.157 0.000 1.111 260 S HN 0.513 nan 8.310 nan 0.000 0.493 261 L N 1.461 122.734 121.223 0.084 0.000 2.056 261 L HA 0.013 4.353 4.340 0.000 0.000 0.207 261 L C 2.973 179.875 176.870 0.053 0.000 1.078 261 L CA 1.768 56.648 54.840 0.067 0.000 0.749 261 L CB -0.816 41.289 42.059 0.077 0.000 0.901 261 L HN 0.933 nan 8.230 nan 0.000 0.433 262 Q N 0.086 119.933 119.800 0.079 0.000 2.124 262 Q HA -0.249 4.091 4.340 0.000 0.000 0.202 262 Q C 2.190 178.257 176.000 0.111 0.000 0.977 262 Q CA 1.942 57.803 55.803 0.096 0.000 0.850 262 Q CB -0.152 28.660 28.738 0.124 0.000 0.901 262 Q HN 0.605 nan 8.270 nan 0.000 0.429 263 M N -0.396 119.265 119.600 0.103 0.000 2.288 263 M HA -0.068 4.412 4.480 0.000 0.000 0.266 263 M C 1.212 177.273 176.300 -0.397 0.000 1.072 263 M CA 1.392 56.668 55.300 -0.041 0.000 1.132 263 M CB -0.025 32.634 32.600 0.099 0.000 1.386 263 M HN 0.139 nan 8.290 nan 0.000 0.432 264 E N 0.578 120.653 120.200 -0.208 0.000 2.076 264 E HA -0.125 4.225 4.350 0.000 0.000 0.190 264 E C 1.718 178.195 176.600 -0.205 0.000 0.979 264 E CA 0.800 57.054 56.400 -0.243 0.000 0.807 264 E CB -0.175 29.454 29.700 -0.117 0.000 0.761 264 E HN 0.592 nan 8.360 nan 0.000 0.454 265 N N 1.225 119.856 118.700 -0.115 0.000 2.120 265 N HA -0.166 4.574 4.740 0.000 0.000 0.188 265 N C 1.688 177.126 175.510 -0.120 0.000 1.024 265 N CA 0.971 53.965 53.050 -0.095 0.000 0.852 265 N CB -0.066 38.400 38.487 -0.035 0.000 1.003 265 N HN 0.195 nan 8.380 nan 0.000 0.424 266 E N 0.426 120.553 120.200 -0.121 0.000 2.049 266 E HA -0.139 4.211 4.350 0.000 0.000 0.198 266 E C 2.040 178.549 176.600 -0.152 0.000 1.007 266 E CA 1.287 57.646 56.400 -0.068 0.000 0.809 266 E CB -0.076 29.676 29.700 0.085 0.000 0.749 266 E HN 0.371 nan 8.360 nan 0.000 0.450 267 I N -0.009 120.349 120.570 -0.354 0.000 2.202 267 I HA -0.291 3.879 4.170 0.000 0.000 0.242 267 I C 2.416 178.433 176.117 -0.167 0.000 1.091 267 I CA 0.950 62.084 61.300 -0.276 0.000 1.368 267 I CB -0.299 37.470 38.000 -0.386 0.000 1.058 267 I HN 0.167 nan 8.210 nan 0.000 0.410 268 M N 0.688 120.179 119.600 -0.181 0.000 2.082 268 M HA -0.173 4.307 4.480 0.000 0.000 0.258 268 M C 2.447 178.662 176.300 -0.141 0.000 1.069 268 M CA 2.280 57.484 55.300 -0.159 0.000 1.102 268 M CB -1.051 31.430 32.600 -0.197 0.000 1.336 268 M HN 0.414 nan 8.290 nan 0.000 0.404 269 G N 0.263 108.984 108.800 -0.131 0.000 2.432 269 G HA2 -0.199 3.761 3.960 0.000 0.000 0.219 269 G HA3 -0.199 3.761 3.960 0.000 0.000 0.219 269 G C 1.560 176.419 174.900 -0.067 0.000 1.135 269 G CA 0.840 45.876 45.100 -0.105 0.000 0.767 269 G HN 0.405 nan 8.290 nan 0.000 0.550 270 K N -0.091 120.280 120.400 -0.048 0.000 2.001 270 K HA -0.106 4.214 4.320 0.000 0.000 0.214 270 K C 2.396 178.977 176.600 -0.031 0.000 1.050 270 K CA 1.458 57.730 56.287 -0.024 0.000 0.934 270 K CB -0.320 32.177 32.500 -0.004 0.000 0.718 270 K HN 0.318 nan 8.250 nan 0.000 0.443 271 I N 0.877 121.421 120.570 -0.044 0.000 2.127 271 I HA -0.310 3.860 4.170 0.000 0.000 0.241 271 I C 2.268 178.364 176.117 -0.035 0.000 1.075 271 I CA 1.372 62.650 61.300 -0.035 0.000 1.334 271 I CB -0.143 37.833 38.000 -0.039 0.000 1.040 271 I HN 0.150 nan 8.210 nan 0.000 0.405 272 L N -0.236 120.954 121.223 -0.055 0.000 2.145 272 L HA -0.065 4.275 4.340 0.000 0.000 0.201 272 L C 2.264 179.101 176.870 -0.055 0.000 1.075 272 L CA 0.934 55.742 54.840 -0.054 0.000 0.773 272 L CB -0.632 41.375 42.059 -0.087 0.000 0.936 272 L HN 0.300 nan 8.230 nan 0.000 0.451 273 N N 0.103 118.764 118.700 -0.065 0.000 2.135 273 N HA -0.144 4.596 4.740 0.000 0.000 0.186 273 N C 1.122 176.610 175.510 -0.035 0.000 1.027 273 N CA 1.326 54.343 53.050 -0.056 0.000 0.849 273 N CB -0.186 38.266 38.487 -0.058 0.000 1.002 273 N HN 0.272 nan 8.380 nan 0.000 0.425 274 D N -0.662 119.721 120.400 -0.028 0.000 2.367 274 D HA 0.146 4.786 4.640 0.000 0.000 0.207 274 D C 0.884 177.176 176.300 -0.012 0.000 1.034 274 D CA 0.345 54.336 54.000 -0.016 0.000 0.861 274 D CB 0.192 40.987 40.800 -0.008 0.000 0.943 274 D HN 0.317 nan 8.370 nan 0.000 0.515 275 G N 1.755 110.545 108.800 -0.016 0.000 2.198 275 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 275 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 275 G C 0.043 174.939 174.900 -0.006 0.000 1.025 275 G CA 0.108 45.202 45.100 -0.010 0.000 0.769 275 G HN 0.326 nan 8.290 nan 0.000 0.507 276 E N -0.048 120.148 120.200 -0.007 0.000 2.349 276 E HA 0.342 4.692 4.350 0.000 0.000 0.265 276 E C -0.044 176.553 176.600 -0.005 0.000 1.064 276 E CA -0.597 55.802 56.400 -0.002 0.000 0.886 276 E CB 0.727 30.428 29.700 0.003 0.000 1.036 276 E HN 0.276 nan 8.360 nan 0.000 0.413 277 D N 2.229 122.628 120.400 -0.001 0.000 2.417 277 D HA 0.011 4.651 4.640 0.000 0.000 0.250 277 D C -1.791 174.504 176.300 -0.009 0.000 1.166 277 D CA -1.548 52.450 54.000 -0.004 0.000 0.881 277 D CB 0.996 41.796 40.800 0.000 0.000 1.164 277 D HN 0.043 nan 8.370 nan 0.000 0.467 278 P HA -0.149 nan 4.420 nan 0.000 0.218 278 P C 0.579 177.859 177.300 -0.033 0.000 1.146 278 P CA 1.172 64.251 63.100 -0.035 0.000 0.813 278 P CB 0.201 31.874 31.700 -0.046 0.000 0.778 279 E N -0.444 119.743 120.200 -0.022 0.000 2.107 279 E HA -0.113 4.237 4.350 0.000 0.000 0.191 279 E C 1.886 178.494 176.600 0.013 0.000 0.982 279 E CA 0.877 57.270 56.400 -0.011 0.000 0.809 279 E CB -0.204 29.491 29.700 -0.008 0.000 0.756 279 E HN 0.301 nan 8.360 nan 0.000 0.459 280 K N 0.423 120.831 120.400 0.014 0.000 2.116 280 K HA 0.022 4.342 4.320 0.000 0.000 0.203 280 K C 2.204 178.829 176.600 0.040 0.000 1.052 280 K CA 0.764 57.068 56.287 0.027 0.000 0.952 280 K CB 0.008 32.520 32.500 0.020 0.000 0.729 280 K HN 0.021 nan 8.250 nan 0.000 0.446 281 A N 1.944 124.781 122.820 0.028 0.000 1.858 281 A HA -0.143 4.177 4.320 0.000 0.000 0.216 281 A C 2.435 180.068 177.584 0.080 0.000 1.190 281 A CA 2.050 54.111 52.037 0.040 0.000 0.617 281 A CB -0.743 18.257 19.000 0.000 0.000 0.827 281 A HN 0.312 nan 8.150 nan 0.000 0.443 282 A N -0.284 122.565 122.820 0.049 0.000 1.902 282 A HA 0.173 4.493 4.320 0.000 0.000 0.217 282 A C 2.518 180.214 177.584 0.187 0.000 1.181 282 A CA 2.134 54.226 52.037 0.092 0.000 0.623 282 A CB -1.095 17.909 19.000 0.006 0.000 0.818 282 A HN 1.123 nan 8.150 nan 0.000 0.443 283 A N 0.037 122.930 122.820 0.122 0.000 1.873 283 A HA 0.033 4.353 4.320 0.000 0.000 0.218 283 A C 2.516 180.181 177.584 0.135 0.000 1.193 283 A CA 2.553 54.661 52.037 0.118 0.000 0.629 283 A CB -1.117 17.927 19.000 0.073 0.000 0.826 283 A HN 1.153 nan 8.150 nan 0.000 0.447 284 A N -2.516 120.381 122.820 0.128 0.000 1.968 284 A HA -0.080 4.240 4.320 0.000 0.000 0.217 284 A C 1.952 179.619 177.584 0.139 0.000 1.169 284 A CA 1.326 53.426 52.037 0.106 0.000 0.638 284 A CB -0.751 18.300 19.000 0.085 0.000 0.812 284 A HN 0.818 nan 8.150 nan 0.000 0.446 285 W N 0.508 121.825 121.300 0.028 0.000 2.388 285 W HA -0.084 4.576 4.660 -0.000 0.000 0.294 285 W C 1.771 178.326 176.519 0.060 0.000 1.212 285 W CA 1.564 58.933 57.345 0.040 0.000 1.271 285 W CB -0.134 29.352 29.460 0.044 0.000 1.126 285 W HN 0.245 nan 8.180 nan 0.000 0.535 286 L N 0.720 122.164 121.223 0.367 0.000 1.970 286 L HA -0.308 4.032 4.340 0.000 0.000 0.212 286 L C 2.474 179.356 176.870 0.021 0.000 1.071 286 L CA 1.975 56.953 54.840 0.230 0.000 0.751 286 L CB -0.928 41.290 42.059 0.264 0.000 0.889 286 L HN -0.067 nan 8.230 nan 0.000 0.432 287 K N -0.544 119.872 120.400 0.027 0.000 2.211 287 K HA -0.226 4.094 4.320 0.000 0.000 0.204 287 K C 1.522 178.066 176.600 -0.093 0.000 1.047 287 K CA 1.560 57.833 56.287 -0.024 0.000 0.935 287 K CB -0.214 32.287 32.500 0.001 0.000 0.728 287 K HN 0.279 nan 8.250 nan 0.000 0.452 288 D N 0.691 120.999 120.400 -0.154 0.000 2.234 288 D HA -0.045 4.595 4.640 0.000 0.000 0.205 288 D C -0.301 175.789 176.300 -0.350 0.000 0.962 288 D CA 0.787 54.640 54.000 -0.245 0.000 0.855 288 D CB 0.176 40.795 40.800 -0.302 0.000 0.951 288 D HN 0.164 nan 8.370 nan 0.000 0.500 289 N N -0.583 117.852 118.700 -0.442 0.000 2.723 289 N HA 0.203 4.943 4.740 0.000 0.000 0.290 289 N C -2.249 173.071 175.510 -0.315 0.000 1.882 289 N CA -0.898 51.868 53.050 -0.473 0.000 0.851 289 N CB 1.812 39.783 38.487 -0.861 0.000 1.234 289 N HN -0.040 nan 8.380 nan 0.000 0.491 290 P HA -0.189 nan 4.420 nan 0.000 0.219 290 P C 0.836 178.020 177.300 -0.194 0.000 1.146 290 P CA 1.341 64.345 63.100 -0.161 0.000 0.808 290 P CB 0.264 31.894 31.700 -0.116 0.000 0.779 291 Q N -0.589 119.088 119.800 -0.205 0.000 2.364 291 Q HA -0.079 4.261 4.340 0.000 0.000 0.207 291 Q C 2.006 177.831 176.000 -0.292 0.000 0.970 291 Q CA 1.565 57.247 55.803 -0.202 0.000 0.888 291 Q CB -0.766 27.876 28.738 -0.161 0.000 0.951 291 Q HN 0.363 nan 8.270 nan 0.000 0.469 292 S N 0.101 115.567 115.700 -0.389 0.000 2.496 292 S HA -0.037 4.433 4.470 0.000 0.000 0.224 292 S C 1.853 175.733 174.600 -1.200 0.000 0.996 292 S CA 0.511 58.325 58.200 -0.644 0.000 0.927 292 S CB -0.383 62.541 63.200 -0.460 0.000 0.774 292 S HN 0.605 nan 8.310 nan 0.000 0.524 293 I N -0.106 120.041 120.570 -0.705 0.000 2.852 293 I HA 0.105 4.275 4.170 0.000 0.000 0.264 293 I C 1.912 177.865 176.117 -0.272 0.000 1.179 293 I CA 0.686 61.699 61.300 -0.477 0.000 1.480 293 I CB -0.203 37.731 38.000 -0.110 0.000 1.111 293 I HN 0.030 nan 8.210 nan 0.000 0.441 294 E N 2.552 122.596 120.200 -0.259 0.000 2.019 294 E HA -0.200 4.150 4.350 0.000 0.000 0.208 294 E C -0.562 175.966 176.600 -0.119 0.000 1.030 294 E CA 2.924 59.236 56.400 -0.147 0.000 0.856 294 E CB -1.572 28.046 29.700 -0.137 0.000 0.781 294 E HN 0.497 nan 8.360 nan 0.000 0.471 295 P HA -0.175 nan 4.420 nan 0.000 0.217 295 P C 0.838 178.196 177.300 0.098 0.000 1.150 295 P CA 1.399 64.456 63.100 -0.072 0.000 0.832 295 P CB -0.180 31.451 31.700 -0.115 0.000 0.787 296 W N 0.974 122.290 121.300 0.027 0.000 2.290 296 W HA -0.151 4.509 4.660 -0.000 0.000 0.328 296 W C 1.952 178.492 176.519 0.034 0.000 1.272 296 W CA 0.830 58.193 57.345 0.031 0.000 1.262 296 W CB -2.109 27.386 29.460 0.059 0.000 1.151 296 W HN -0.074 nan 8.180 nan 0.000 0.473 297 L N 1.704 123.084 121.223 0.261 0.000 2.777 297 L HA 0.100 4.440 4.340 0.000 0.000 0.244 297 L C 1.239 178.167 176.870 0.097 0.000 1.235 297 L CA 0.027 54.965 54.840 0.164 0.000 1.062 297 L CB -1.104 41.035 42.059 0.132 0.000 1.340 297 L HN -0.151 nan 8.230 nan 0.000 0.439 298 S N 1.412 117.168 115.700 0.093 0.000 2.962 298 S HA 0.288 4.758 4.470 0.000 0.000 0.320 298 S C 1.359 175.992 174.600 0.055 0.000 1.186 298 S CA 0.347 58.581 58.200 0.058 0.000 1.180 298 S CB -0.567 62.665 63.200 0.053 0.000 1.491 298 S HN 0.760 nan 8.310 nan 0.000 0.556 299 G N 2.309 111.137 108.800 0.046 0.000 2.132 299 G HA2 -0.208 3.752 3.960 0.000 0.000 0.234 299 G HA3 -0.208 3.752 3.960 0.000 0.000 0.234 299 G C -0.064 174.866 174.900 0.050 0.000 0.989 299 G CA -0.079 45.045 45.100 0.040 0.000 0.676 299 G HN 1.053 nan 8.290 nan 0.000 0.522 300 V N 1.273 121.227 119.914 0.066 0.000 2.333 300 V HA 0.734 4.854 4.120 0.000 0.000 0.274 300 V C 0.904 177.041 176.094 0.071 0.000 1.028 300 V CA -0.098 62.252 62.300 0.083 0.000 0.851 300 V CB 0.959 32.852 31.823 0.117 0.000 1.000 300 V HN 0.943 nan 8.190 nan 0.000 0.456 301 A N 4.264 127.123 122.820 0.065 0.000 2.259 301 A HA 0.651 4.971 4.320 0.000 0.000 0.278 301 A C 0.591 178.182 177.584 0.011 0.000 1.107 301 A CA -0.121 51.938 52.037 0.037 0.000 0.828 301 A CB 0.661 19.682 19.000 0.035 0.000 1.111 301 A HN 0.658 nan 8.150 nan 0.000 0.498 302 T N -1.237 113.293 114.554 -0.039 0.000 2.698 302 T HA 0.125 4.475 4.350 0.000 0.000 0.295 302 T C 1.509 176.130 174.700 -0.132 0.000 1.007 302 T CA 0.162 62.178 62.100 -0.140 0.000 0.980 302 T CB 0.400 69.200 68.868 -0.113 0.000 1.036 302 T HN 0.636 nan 8.240 nan 0.000 0.526 303 K N 0.014 120.253 120.400 -0.267 0.000 2.103 303 K HA -0.103 4.217 4.320 0.000 0.000 0.207 303 K C 0.452 177.071 176.600 0.031 0.000 1.048 303 K CA 1.897 58.155 56.287 -0.049 0.000 0.930 303 K CB -0.032 32.433 32.500 -0.058 0.000 0.716 303 K HN 0.507 nan 8.250 nan 0.000 0.444 304 D N -1.748 118.644 120.400 -0.012 0.000 2.525 304 D HA 0.202 4.842 4.640 0.000 0.000 0.229 304 D C 0.278 176.580 176.300 0.004 0.000 1.202 304 D CA 0.505 54.509 54.000 0.006 0.000 0.828 304 D CB 1.245 42.045 40.800 -0.001 0.000 1.008 304 D HN 0.415 nan 8.370 nan 0.000 0.493 305 G N -0.181 108.622 108.800 0.006 0.000 2.232 305 G HA2 -0.196 3.764 3.960 0.000 0.000 0.226 305 G HA3 -0.196 3.764 3.960 0.000 0.000 0.226 305 G C 0.899 175.800 174.900 0.002 0.000 0.996 305 G CA -0.372 44.734 45.100 0.009 0.000 0.626 305 G HN 0.583 nan 8.290 nan 0.000 0.509 306 G N 0.099 108.893 108.800 -0.009 0.000 2.690 306 G HA2 0.379 4.339 3.960 0.000 0.000 0.239 306 G HA3 0.379 4.339 3.960 0.000 0.000 0.239 306 G C -0.253 174.642 174.900 -0.007 0.000 1.233 306 G CA 0.742 45.835 45.100 -0.012 0.000 0.847 306 G HN 0.465 nan 8.290 nan 0.000 0.588 307 D N -0.636 119.762 120.400 -0.003 0.000 2.264 307 D HA 0.429 5.069 4.640 0.000 0.000 0.250 307 D C 1.509 177.811 176.300 0.003 0.000 1.113 307 D CA 0.542 54.544 54.000 0.004 0.000 0.871 307 D CB 1.098 41.901 40.800 0.005 0.000 1.167 307 D HN 0.263 nan 8.370 nan 0.000 0.447 308 G N 3.130 111.938 108.800 0.015 0.000 2.480 308 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 308 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 308 G C 1.405 176.319 174.900 0.023 0.000 1.200 308 G CA 0.772 45.884 45.100 0.020 0.000 0.782 308 G HN 0.549 nan 8.290 nan 0.000 0.554 309 L N 1.141 122.380 121.223 0.027 0.000 2.043 309 L HA 0.005 4.345 4.340 0.000 0.000 0.212 309 L C 3.108 179.984 176.870 0.009 0.000 1.075 309 L CA 2.341 57.193 54.840 0.021 0.000 0.752 309 L CB -0.394 41.670 42.059 0.009 0.000 0.891 309 L HN 0.256 nan 8.230 nan 0.000 0.432 310 A N -0.447 122.375 122.820 0.003 0.000 1.902 310 A HA -0.043 4.277 4.320 0.000 0.000 0.217 310 A C 2.225 179.808 177.584 -0.003 0.000 1.181 310 A CA 1.474 53.510 52.037 -0.003 0.000 0.623 310 A CB -1.057 17.940 19.000 -0.004 0.000 0.818 310 A HN 0.546 nan 8.150 nan 0.000 0.443 311 A N -0.812 122.005 122.820 -0.005 0.000 2.276 311 A HA 0.409 4.729 4.320 0.000 0.000 0.212 311 A C 1.461 179.043 177.584 -0.003 0.000 1.230 311 A CA 0.850 52.880 52.037 -0.012 0.000 0.844 311 A CB -0.270 18.712 19.000 -0.029 0.000 0.860 311 A HN 0.320 nan 8.150 nan 0.000 0.486 312 V N -0.792 119.129 119.914 0.012 0.000 3.379 312 V HA -0.052 4.068 4.120 0.000 0.000 0.249 312 V C 2.035 178.143 176.094 0.024 0.000 1.184 312 V CA 1.217 63.535 62.300 0.030 0.000 1.106 312 V CB -0.155 31.702 31.823 0.057 0.000 0.826 312 V HN 0.494 nan 8.190 nan 0.000 0.465 313 K N 1.623 122.029 120.400 0.010 0.000 2.097 313 K HA 0.015 4.335 4.320 0.000 0.000 0.205 313 K C 2.044 178.646 176.600 0.003 0.000 1.050 313 K CA 1.421 57.710 56.287 0.003 0.000 0.938 313 K CB -0.286 32.210 32.500 -0.007 0.000 0.718 313 K HN 0.414 nan 8.250 nan 0.000 0.442 314 A N 0.970 123.791 122.820 0.003 0.000 2.239 314 A HA 0.124 4.444 4.320 0.000 0.000 0.209 314 A C 1.995 179.583 177.584 0.007 0.000 1.171 314 A CA 1.221 53.259 52.037 0.002 0.000 0.768 314 A CB -0.318 18.681 19.000 -0.001 0.000 0.790 314 A HN 0.317 nan 8.150 nan 0.000 0.478 315 A N -0.222 122.606 122.820 0.013 0.000 1.944 315 A HA 0.300 4.620 4.320 0.000 0.000 0.207 315 A C 1.791 179.390 177.584 0.024 0.000 1.265 315 A CA 0.779 52.828 52.037 0.020 0.000 0.712 315 A CB -0.359 18.658 19.000 0.027 0.000 0.915 315 A HN 0.506 nan 8.150 nan 0.000 0.470 316 L N -1.455 119.784 121.223 0.028 0.000 2.492 316 L HA 0.405 4.745 4.340 0.000 0.000 0.223 316 L C 1.162 178.039 176.870 0.011 0.000 1.132 316 L CA 0.427 55.284 54.840 0.029 0.000 0.850 316 L CB -0.769 41.313 42.059 0.040 0.000 0.966 316 L HN 0.471 nan 8.230 nan 0.000 0.454 317 G N 1.445 110.248 108.800 0.005 0.000 2.734 317 G HA2 -0.153 3.807 3.960 0.000 0.000 0.277 317 G HA3 -0.153 3.807 3.960 0.000 0.000 0.277 317 G C -0.098 174.794 174.900 -0.014 0.000 1.099 317 G CA -0.144 44.953 45.100 -0.005 0.000 1.218 317 G HN 0.172 nan 8.290 nan 0.000 0.554 318 L N 0.000 121.215 121.223 -0.014 0.000 2.949 318 L HA 0.000 4.340 4.340 0.000 0.000 0.249 318 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 318 L CB 0.000 42.042 42.059 -0.029 0.000 0.961 318 L HN 0.000 nan 8.230 nan 0.000 0.502