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 2z8d_1_A DATA FIRST_RESID 37 DATA SEQUENCE DDGGVVNITY MHRLPDSEGM TLVNDIVAKW NKQHPDIQVK ATKFDGKASD DATA SEQUENCE MIKKLETDVK SGEAPDLAQV GYAELPEVFT KGLLQDVTQY AEQYKNDFAS DATA SEQUENCE GPYSLVQVGG KAYGLPQDTG PLVYFYNKAE FEKLGITEIP QTADEFIAAA DATA SEQUENCE KTAAAAGKYI MSYQPDEAGN MISGLAGASG GWYKVKGDSW VVNTETDGSK DATA SEQUENCE ATADFYQQLL DAKAATTNPR WDPSFDASIK DGSLIGTVAA AWEAPLFMTS DATA SEQUENCE SGGTGSGEWQ VAQLGDWFGN AGKTGPDGGS AVAVLKNSKH PKEAMEFLDW DATA SEQUENCE FNTQVPDLVS QGLVPAATTE DAETPSEWST FFGGQDIMKE FKTANNNMGD DATA SEQUENCE FTYMPGFSAV AAKMNETAAK ATDGSGKVAD IFSDAQTTSV DTLKNFGLSV DATA SEQUENCE S 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 37 D HA 0.000 nan 4.640 nan 0.000 0.175 37 D C 0.000 176.339 176.300 0.065 0.000 2.045 37 D CA 0.000 54.033 54.000 0.056 0.000 0.868 37 D CB 0.000 40.828 40.800 0.046 0.000 0.688 38 D N -0.065 120.386 120.400 0.085 0.000 2.346 38 D HA 0.371 5.006 4.640 -0.008 0.000 0.236 38 D C 0.989 177.324 176.300 0.060 0.000 1.259 38 D CA 0.256 54.319 54.000 0.104 0.000 0.898 38 D CB 0.425 41.294 40.800 0.116 0.000 1.178 38 D HN 0.345 nan 8.370 nan 0.000 0.457 39 G N -0.904 107.928 108.800 0.052 0.000 2.684 39 G HA2 0.310 4.265 3.960 -0.008 0.000 0.255 39 G HA3 0.310 4.265 3.960 -0.008 0.000 0.255 39 G C 1.235 176.138 174.900 0.004 0.000 1.219 39 G CA -0.116 44.998 45.100 0.024 0.000 0.901 39 G HN 0.412 nan 8.290 nan 0.000 0.548 40 G N -1.482 107.318 108.800 -0.001 0.000 2.442 40 G HA2 0.016 3.971 3.960 -0.008 0.000 0.219 40 G HA3 0.016 3.971 3.960 -0.008 0.000 0.219 40 G C 0.428 175.316 174.900 -0.020 0.000 1.141 40 G CA 1.192 46.288 45.100 -0.008 0.000 0.763 40 G HN 0.611 nan 8.290 nan 0.000 0.554 41 V N 0.702 120.597 119.914 -0.031 0.000 2.407 41 V HA 0.443 4.558 4.120 -0.008 0.000 0.291 41 V C -0.438 175.604 176.094 -0.088 0.000 1.018 41 V CA -0.791 61.481 62.300 -0.046 0.000 0.842 41 V CB 1.950 33.752 31.823 -0.034 0.000 0.996 41 V HN -0.023 nan 8.190 nan 0.000 0.426 42 V N 5.021 124.854 119.914 -0.135 0.000 2.539 42 V HA 0.472 4.587 4.120 -0.008 0.000 0.292 42 V C -0.023 175.964 176.094 -0.178 0.000 1.045 42 V CA -0.642 61.489 62.300 -0.282 0.000 0.945 42 V CB 1.902 33.462 31.823 -0.437 0.000 0.993 42 V HN 0.855 nan 8.190 nan 0.000 0.464 43 N N 4.473 123.071 118.700 -0.170 0.000 2.407 43 N HA 0.485 5.220 4.740 -0.008 0.000 0.277 43 N C -1.312 174.151 175.510 -0.079 0.000 0.995 43 N CA -0.514 52.480 53.050 -0.092 0.000 0.903 43 N CB 2.201 40.657 38.487 -0.052 0.000 1.218 43 N HN 0.337 nan 8.380 nan 0.000 0.487 44 I N 1.909 122.420 120.570 -0.099 0.000 2.404 44 I HA 0.274 4.439 4.170 -0.008 0.000 0.293 44 I C 0.781 176.833 176.117 -0.109 0.000 0.992 44 I CA -0.618 60.619 61.300 -0.105 0.000 1.149 44 I CB 1.330 39.216 38.000 -0.190 0.000 1.315 44 I HN 0.392 nan 8.210 nan 0.000 0.446 45 T N 3.395 117.919 114.554 -0.049 0.000 2.895 45 T HA 0.577 4.922 4.350 -0.008 0.000 0.283 45 T C -0.948 173.785 174.700 0.054 0.000 1.014 45 T CA -0.676 61.414 62.100 -0.018 0.000 1.037 45 T CB 2.062 70.928 68.868 -0.003 0.000 1.006 45 T HN 0.378 nan 8.240 nan 0.000 0.468 46 Y N 3.119 123.359 120.300 -0.100 0.000 2.333 46 Y HA 0.523 5.068 4.550 -0.008 0.000 0.324 46 Y C -1.102 174.786 175.900 -0.019 0.000 1.033 46 Y CA -2.300 55.757 58.100 -0.072 0.000 1.224 46 Y CB 1.398 39.789 38.460 -0.115 0.000 1.120 46 Y HN 0.919 nan 8.280 nan 0.000 0.457 47 M N 7.608 127.253 119.600 0.075 0.000 2.144 47 M HA 0.353 4.829 4.480 -0.008 0.000 0.356 47 M C -1.254 174.953 176.300 -0.156 0.000 1.217 47 M CA -0.245 54.991 55.300 -0.108 0.000 1.087 47 M CB 0.482 33.054 32.600 -0.048 0.000 1.609 47 M HN 0.972 nan 8.290 nan 0.000 0.467 48 H N 2.503 121.366 119.070 -0.345 0.000 2.907 48 H HA 0.642 5.194 4.556 -0.007 0.000 0.361 48 H C -0.984 174.261 175.328 -0.138 0.000 1.194 48 H CA -1.196 54.685 56.048 -0.279 0.000 1.152 48 H CB 0.953 30.399 29.762 -0.526 0.000 1.867 48 H HN 0.640 nan 8.280 nan 0.000 0.561 49 R N 1.749 122.199 120.500 -0.083 0.000 2.727 49 R HA 0.365 4.700 4.340 -0.008 0.000 0.410 49 R C -1.002 175.306 176.300 0.013 0.000 1.101 49 R CA -0.498 55.548 56.100 -0.090 0.000 1.045 49 R CB -0.251 29.994 30.300 -0.092 0.000 1.380 49 R HN 0.375 nan 8.270 nan 0.000 0.587 50 L N 1.914 123.309 121.223 0.286 0.000 2.417 50 L HA 0.241 4.576 4.340 -0.008 0.000 0.268 50 L C -1.037 175.914 176.870 0.135 0.000 1.158 50 L CA -2.087 52.857 54.840 0.174 0.000 0.819 50 L CB 0.796 42.948 42.059 0.156 0.000 1.112 50 L HN -0.009 nan 8.230 nan 0.000 0.458 51 P HA -0.183 nan 4.420 nan 0.000 0.216 51 P C 0.075 177.420 177.300 0.075 0.000 1.153 51 P CA 0.965 64.094 63.100 0.049 0.000 0.848 51 P CB 0.095 31.832 31.700 0.061 0.000 0.787 52 D N -0.671 119.789 120.400 0.099 0.000 2.751 52 D HA -0.104 4.531 4.640 -0.008 0.000 0.233 52 D C -0.241 176.103 176.300 0.074 0.000 1.149 52 D CA 0.904 54.960 54.000 0.093 0.000 0.682 52 D CB -1.611 39.256 40.800 0.112 0.000 1.068 52 D HN 0.320 nan 8.370 nan 0.000 0.429 53 S N -0.714 115.032 115.700 0.077 0.000 2.655 53 S HA 0.343 4.808 4.470 -0.008 0.000 0.265 53 S C 0.523 175.164 174.600 0.070 0.000 1.240 53 S CA -0.972 57.268 58.200 0.066 0.000 0.986 53 S CB 1.230 64.470 63.200 0.066 0.000 0.985 53 S HN 0.139 nan 8.310 nan 0.000 0.562 54 E N 0.262 120.497 120.200 0.058 0.000 2.502 54 E HA 0.307 4.652 4.350 -0.008 0.000 0.261 54 E C 1.181 177.826 176.600 0.074 0.000 0.974 54 E CA 0.828 57.263 56.400 0.058 0.000 0.936 54 E CB -0.112 29.615 29.700 0.046 0.000 0.926 54 E HN 0.987 nan 8.360 nan 0.000 0.459 55 G N 2.564 111.410 108.800 0.076 0.000 2.217 55 G HA2 -0.306 3.650 3.960 -0.008 0.000 0.246 55 G HA3 -0.306 3.650 3.960 -0.008 0.000 0.246 55 G C 0.268 175.232 174.900 0.107 0.000 0.990 55 G CA 0.109 45.264 45.100 0.092 0.000 0.627 55 G HN 0.414 nan 8.290 nan 0.000 0.522 56 M N 1.249 120.914 119.600 0.107 0.000 2.359 56 M HA 0.442 4.917 4.480 -0.008 0.000 0.322 56 M C 0.306 176.654 176.300 0.081 0.000 1.166 56 M CA -0.224 55.143 55.300 0.112 0.000 1.067 56 M CB 1.240 33.915 32.600 0.124 0.000 1.523 56 M HN 0.034 nan 8.290 nan 0.000 0.467 57 T N 3.100 117.694 114.554 0.066 0.000 2.737 57 T HA 0.282 4.627 4.350 -0.008 0.000 0.296 57 T C -0.124 174.617 174.700 0.068 0.000 0.922 57 T CA -0.594 61.539 62.100 0.055 0.000 1.079 57 T CB -0.122 68.764 68.868 0.029 0.000 0.892 57 T HN 0.211 nan 8.240 nan 0.000 0.514 58 L N 4.339 125.608 121.223 0.078 0.000 2.461 58 L HA 0.092 4.427 4.340 -0.008 0.000 0.272 58 L C 1.800 178.732 176.870 0.104 0.000 1.197 58 L CA 0.342 55.233 54.840 0.084 0.000 0.836 58 L CB 0.445 42.552 42.059 0.081 0.000 1.105 58 L HN 0.475 nan 8.230 nan 0.000 0.477 59 V N 2.805 122.765 119.914 0.075 0.000 2.392 59 V HA -0.295 3.820 4.120 -0.008 0.000 0.249 59 V C 1.838 178.040 176.094 0.179 0.000 1.059 59 V CA 2.121 64.485 62.300 0.107 0.000 1.051 59 V CB -0.736 30.911 31.823 -0.293 0.000 0.658 59 V HN 0.850 nan 8.190 nan 0.000 0.455 60 N N -0.238 118.535 118.700 0.122 0.000 2.309 60 N HA -0.152 4.583 4.740 -0.008 0.000 0.182 60 N C 1.430 177.039 175.510 0.164 0.000 1.018 60 N CA 1.151 54.280 53.050 0.133 0.000 0.876 60 N CB -0.081 38.461 38.487 0.092 0.000 0.972 60 N HN 0.483 nan 8.380 nan 0.000 0.434 61 D N 0.838 121.331 120.400 0.156 0.000 2.149 61 D HA -0.029 4.606 4.640 -0.008 0.000 0.201 61 D C 1.973 178.411 176.300 0.230 0.000 0.972 61 D CA 0.605 54.701 54.000 0.159 0.000 0.835 61 D CB -0.023 40.848 40.800 0.118 0.000 0.966 61 D HN 0.291 nan 8.370 nan 0.000 0.476 62 I N 0.834 121.566 120.570 0.271 0.000 2.099 62 I HA -0.266 3.899 4.170 -0.008 0.000 0.239 62 I C 2.523 179.019 176.117 0.631 0.000 1.066 62 I CA 0.834 62.371 61.300 0.396 0.000 1.324 62 I CB -0.620 37.563 38.000 0.306 0.000 1.037 62 I HN -0.128 nan 8.210 nan 0.000 0.401 63 V N 1.413 121.704 119.914 0.628 0.000 2.380 63 V HA -0.356 3.759 4.120 -0.008 0.000 0.251 63 V C 2.770 179.096 176.094 0.387 0.000 1.063 63 V CA 2.113 64.753 62.300 0.567 0.000 1.055 63 V CB -1.256 30.782 31.823 0.357 0.000 0.657 63 V HN 0.560 nan 8.190 nan 0.000 0.455 64 A N -0.307 122.680 122.820 0.278 0.000 1.972 64 A HA -0.248 4.067 4.320 -0.008 0.000 0.219 64 A C 2.285 179.974 177.584 0.174 0.000 1.169 64 A CA 1.979 54.128 52.037 0.187 0.000 0.635 64 A CB -0.430 18.651 19.000 0.135 0.000 0.810 64 A HN 0.597 nan 8.150 nan 0.000 0.446 65 K N -1.195 119.352 120.400 0.245 0.000 2.097 65 K HA -0.166 4.149 4.320 -0.008 0.000 0.206 65 K C 1.959 178.595 176.600 0.060 0.000 1.049 65 K CA 1.385 57.793 56.287 0.201 0.000 0.933 65 K CB -0.263 32.459 32.500 0.371 0.000 0.717 65 K HN 0.827 nan 8.250 nan 0.000 0.442 66 W N 2.510 123.704 121.300 -0.176 0.000 2.379 66 W HA -0.142 4.514 4.660 -0.008 0.000 0.307 66 W C 1.169 177.609 176.519 -0.131 0.000 1.200 66 W CA 1.252 58.337 57.345 -0.434 0.000 1.297 66 W CB -0.333 28.878 29.460 -0.415 0.000 1.140 66 W HN 0.091 nan 8.180 nan 0.000 0.507 67 N N 1.212 119.982 118.700 0.117 0.000 2.149 67 N HA -0.209 4.526 4.740 -0.008 0.000 0.188 67 N C 1.651 177.096 175.510 -0.108 0.000 1.019 67 N CA 2.005 55.076 53.050 0.035 0.000 0.857 67 N CB -0.635 37.912 38.487 0.100 0.000 0.997 67 N HN 0.261 nan 8.380 nan 0.000 0.426 68 K N 0.426 120.762 120.400 -0.108 0.000 2.062 68 K HA -0.029 4.286 4.320 -0.008 0.000 0.205 68 K C 1.644 178.099 176.600 -0.241 0.000 1.051 68 K CA 0.939 57.149 56.287 -0.128 0.000 0.941 68 K CB 0.177 32.634 32.500 -0.071 0.000 0.719 68 K HN -0.039 nan 8.250 nan 0.000 0.440 69 Q N -0.188 119.382 119.800 -0.383 0.000 2.230 69 Q HA -0.042 4.293 4.340 -0.008 0.000 0.202 69 Q C 0.082 175.522 176.000 -0.933 0.000 0.963 69 Q CA 1.149 56.567 55.803 -0.641 0.000 0.866 69 Q CB 0.307 28.584 28.738 -0.769 0.000 0.931 69 Q HN 0.423 nan 8.270 nan 0.000 0.452 70 H N -0.014 118.689 119.070 -0.611 0.000 2.423 70 H HA 0.185 4.736 4.556 -0.008 0.000 0.237 70 H C -1.676 173.463 175.328 -0.315 0.000 1.391 70 H CA -1.739 53.955 56.048 -0.590 0.000 1.453 70 H CB 1.223 30.332 29.762 -1.089 0.000 1.484 70 H HN 0.037 nan 8.280 nan 0.000 0.505 71 P HA -0.157 nan 4.420 nan 0.000 0.221 71 P C 1.189 178.465 177.300 -0.040 0.000 1.145 71 P CA 1.068 64.120 63.100 -0.080 0.000 0.795 71 P CB 0.392 32.044 31.700 -0.081 0.000 0.775 72 D N -0.017 120.368 120.400 -0.026 0.000 2.269 72 D HA -0.087 4.548 4.640 -0.008 0.000 0.208 72 D C 0.704 177.011 176.300 0.012 0.000 0.963 72 D CA 0.631 54.628 54.000 -0.004 0.000 0.864 72 D CB -0.165 40.641 40.800 0.010 0.000 0.936 72 D HN 0.266 nan 8.370 nan 0.000 0.505 73 I N 1.476 122.085 120.570 0.064 0.000 2.583 73 I HA 0.101 4.266 4.170 -0.008 0.000 0.276 73 I C -0.610 175.638 176.117 0.219 0.000 1.089 73 I CA -0.625 60.756 61.300 0.135 0.000 1.103 73 I CB 1.582 39.758 38.000 0.294 0.000 1.209 73 I HN -0.258 nan 8.210 nan 0.000 0.484 74 Q N 4.724 124.566 119.800 0.071 0.000 2.256 74 Q HA 0.536 4.871 4.340 -0.008 0.000 0.254 74 Q C -0.571 175.407 176.000 -0.038 0.000 0.916 74 Q CA -0.444 55.388 55.803 0.048 0.000 0.932 74 Q CB 3.076 31.816 28.738 0.004 0.000 1.207 74 Q HN 0.345 nan 8.270 nan 0.000 0.426 75 V N 2.776 122.645 119.914 -0.075 0.000 2.495 75 V HA 0.389 4.504 4.120 -0.008 0.000 0.298 75 V C -0.186 175.825 176.094 -0.139 0.000 1.031 75 V CA -0.812 61.331 62.300 -0.260 0.000 0.871 75 V CB 2.031 33.408 31.823 -0.744 0.000 0.988 75 V HN 0.584 nan 8.190 nan 0.000 0.432 76 K N 3.325 123.655 120.400 -0.116 0.000 2.367 76 K HA 0.766 5.081 4.320 -0.008 0.000 0.263 76 K C -0.505 176.066 176.600 -0.048 0.000 1.000 76 K CA -0.319 55.934 56.287 -0.056 0.000 0.891 76 K CB 1.322 33.800 32.500 -0.037 0.000 1.117 76 K HN 0.870 nan 8.250 nan 0.000 0.443 77 A N 2.953 125.752 122.820 -0.035 0.000 2.304 77 A HA 0.554 4.869 4.320 -0.008 0.000 0.323 77 A C -0.489 177.078 177.584 -0.029 0.000 1.195 77 A CA -0.580 51.419 52.037 -0.062 0.000 0.826 77 A CB 0.901 19.847 19.000 -0.091 0.000 1.184 77 A HN 0.754 nan 8.150 nan 0.000 0.496 78 T N -0.326 114.189 114.554 -0.066 0.000 2.893 78 T HA 0.607 4.952 4.350 -0.008 0.000 0.291 78 T C -0.571 173.948 174.700 -0.300 0.000 1.028 78 T CA -0.860 61.185 62.100 -0.093 0.000 0.995 78 T CB 1.525 70.343 68.868 -0.083 0.000 1.051 78 T HN 0.639 nan 8.240 nan 0.000 0.470 79 K N 2.101 122.289 120.400 -0.354 0.000 2.227 79 K HA 0.409 4.725 4.320 -0.008 0.000 0.280 79 K C -0.533 175.886 176.600 -0.302 0.000 1.041 79 K CA -0.937 54.971 56.287 -0.632 0.000 0.905 79 K CB 0.496 32.777 32.500 -0.363 0.000 1.068 79 K HN 0.599 nan 8.250 nan 0.000 0.470 80 F N 3.584 123.290 119.950 -0.407 0.000 2.607 80 F HA 0.006 4.527 4.527 -0.011 0.000 0.374 80 F C 0.078 175.755 175.800 -0.205 0.000 1.104 80 F CA 0.253 58.101 58.000 -0.253 0.000 1.296 80 F CB 0.546 39.408 39.000 -0.230 0.000 1.085 80 F HN 0.535 nan 8.300 nan 0.000 0.584 81 D N 4.234 124.014 120.400 -1.032 0.000 2.472 81 D HA 0.563 5.198 4.640 -0.008 0.000 0.234 81 D C -0.041 175.588 176.300 -1.117 0.000 1.088 81 D CA 0.480 54.009 54.000 -0.785 0.000 0.882 81 D CB 0.463 40.999 40.800 -0.440 0.000 1.037 81 D HN 0.934 nan 8.370 nan 0.000 0.520 82 G N 2.237 110.515 108.800 -0.870 0.000 2.356 82 G HA2 0.073 4.028 3.960 -0.008 0.000 0.288 82 G HA3 0.073 4.028 3.960 -0.008 0.000 0.288 82 G C -1.246 173.553 174.900 -0.168 0.000 1.302 82 G CA -1.060 43.714 45.100 -0.542 0.000 0.887 82 G HN 0.386 nan 8.290 nan 0.000 0.521 83 K N 0.410 120.814 120.400 0.006 0.000 2.298 83 K HA 0.553 4.868 4.320 -0.008 0.000 0.280 83 K C 1.622 178.282 176.600 0.101 0.000 1.032 83 K CA 0.520 56.804 56.287 -0.004 0.000 0.958 83 K CB 1.161 33.651 32.500 -0.017 0.000 0.978 83 K HN 0.904 nan 8.250 nan 0.000 0.472 84 A N 3.058 125.842 122.820 -0.061 0.000 1.903 84 A HA -0.248 4.067 4.320 -0.008 0.000 0.219 84 A C 1.931 179.437 177.584 -0.130 0.000 1.191 84 A CA 2.512 54.485 52.037 -0.107 0.000 0.638 84 A CB -1.069 17.789 19.000 -0.236 0.000 0.823 84 A HN 0.928 nan 8.150 nan 0.000 0.451 85 S N -0.538 115.103 115.700 -0.097 0.000 2.469 85 S HA -0.137 4.328 4.470 -0.008 0.000 0.238 85 S C 0.995 175.537 174.600 -0.097 0.000 0.998 85 S CA 1.395 59.541 58.200 -0.091 0.000 0.957 85 S CB -0.350 62.819 63.200 -0.051 0.000 0.764 85 S HN 0.547 nan 8.310 nan 0.000 0.514 86 D N 0.747 121.112 120.400 -0.058 0.000 2.354 86 D HA 0.185 4.820 4.640 -0.008 0.000 0.209 86 D C 1.541 177.664 176.300 -0.295 0.000 1.015 86 D CA 0.233 54.213 54.000 -0.034 0.000 0.867 86 D CB -0.243 40.658 40.800 0.168 0.000 0.933 86 D HN 0.440 nan 8.370 nan 0.000 0.520 87 M N 0.800 119.950 119.600 -0.750 0.000 2.080 87 M HA -0.161 4.314 4.480 -0.008 0.000 0.260 87 M C 2.001 177.927 176.300 -0.624 0.000 1.068 87 M CA 1.536 56.013 55.300 -1.371 0.000 1.109 87 M CB -0.088 31.739 32.600 -1.288 0.000 1.342 87 M HN 0.068 nan 8.290 nan 0.000 0.405 88 I N -2.133 118.215 120.570 -0.370 0.000 2.756 88 I HA -0.185 3.981 4.170 -0.008 0.000 0.262 88 I C 1.626 177.651 176.117 -0.153 0.000 1.225 88 I CA 1.189 62.357 61.300 -0.220 0.000 1.472 88 I CB -0.517 37.393 38.000 -0.150 0.000 1.094 88 I HN 0.222 nan 8.210 nan 0.000 0.454 89 K N 1.694 122.007 120.400 -0.144 0.000 2.103 89 K HA -0.126 4.189 4.320 -0.008 0.000 0.204 89 K C 2.185 178.745 176.600 -0.068 0.000 1.052 89 K CA 1.373 57.612 56.287 -0.080 0.000 0.945 89 K CB -0.137 32.336 32.500 -0.046 0.000 0.722 89 K HN 0.340 nan 8.250 nan 0.000 0.443 90 K N 1.484 121.828 120.400 -0.092 0.000 2.097 90 K HA -0.061 4.255 4.320 -0.008 0.000 0.205 90 K C 2.002 178.567 176.600 -0.059 0.000 1.050 90 K CA 0.725 56.993 56.287 -0.032 0.000 0.938 90 K CB 0.033 32.578 32.500 0.075 0.000 0.718 90 K HN 0.015 nan 8.250 nan 0.000 0.442 91 L N 0.843 121.998 121.223 -0.115 0.000 2.017 91 L HA -0.197 4.138 4.340 -0.008 0.000 0.208 91 L C 2.637 179.471 176.870 -0.059 0.000 1.073 91 L CA 1.754 56.542 54.840 -0.086 0.000 0.745 91 L CB -0.611 41.383 42.059 -0.107 0.000 0.894 91 L HN 0.390 nan 8.230 nan 0.000 0.432 92 E N -0.048 120.114 120.200 -0.064 0.000 2.049 92 E HA -0.247 4.098 4.350 -0.008 0.000 0.198 92 E C 1.996 178.571 176.600 -0.042 0.000 1.007 92 E CA 2.230 58.599 56.400 -0.052 0.000 0.809 92 E CB 0.006 29.674 29.700 -0.054 0.000 0.749 92 E HN 0.369 nan 8.360 nan 0.000 0.450 93 T N 1.027 115.560 114.554 -0.036 0.000 2.607 93 T HA -0.186 4.159 4.350 -0.008 0.000 0.267 93 T C 1.308 175.995 174.700 -0.021 0.000 1.049 93 T CA 1.712 63.797 62.100 -0.025 0.000 1.162 93 T CB -0.518 68.341 68.868 -0.014 0.000 0.863 93 T HN 0.255 nan 8.240 nan 0.000 0.424 94 D N 0.542 120.931 120.400 -0.019 0.000 2.178 94 D HA -0.037 4.598 4.640 -0.008 0.000 0.201 94 D C 2.214 178.504 176.300 -0.016 0.000 0.980 94 D CA 0.420 54.412 54.000 -0.014 0.000 0.842 94 D CB -0.606 40.188 40.800 -0.009 0.000 0.948 94 D HN 0.199 nan 8.370 nan 0.000 0.472 95 V N 0.803 120.703 119.914 -0.022 0.000 2.261 95 V HA -0.258 3.857 4.120 -0.008 0.000 0.246 95 V C 2.391 178.471 176.094 -0.022 0.000 1.047 95 V CA 1.556 63.843 62.300 -0.021 0.000 1.015 95 V CB -0.377 31.430 31.823 -0.027 0.000 0.642 95 V HN 0.076 nan 8.190 nan 0.000 0.446 96 K N 0.399 120.783 120.400 -0.027 0.000 2.103 96 K HA -0.143 4.172 4.320 -0.008 0.000 0.207 96 K C 2.329 178.917 176.600 -0.021 0.000 1.048 96 K CA 1.872 58.143 56.287 -0.027 0.000 0.930 96 K CB -0.719 31.762 32.500 -0.032 0.000 0.716 96 K HN 0.364 nan 8.250 nan 0.000 0.444 97 S N -1.103 114.587 115.700 -0.018 0.000 2.522 97 S HA 0.064 4.529 4.470 -0.008 0.000 0.227 97 S C 0.997 175.590 174.600 -0.011 0.000 0.986 97 S CA 0.934 59.125 58.200 -0.014 0.000 0.929 97 S CB -0.521 62.671 63.200 -0.013 0.000 0.769 97 S HN 0.616 nan 8.310 nan 0.000 0.529 98 G N 1.190 109.984 108.800 -0.011 0.000 2.225 98 G HA2 -0.242 3.713 3.960 -0.008 0.000 0.267 98 G HA3 -0.242 3.713 3.960 -0.008 0.000 0.267 98 G C 0.219 175.116 174.900 -0.004 0.000 1.024 98 G CA 0.624 45.720 45.100 -0.007 0.000 0.784 98 G HN 0.628 nan 8.290 nan 0.000 0.507 99 E N -0.384 119.813 120.200 -0.005 0.000 2.501 99 E HA 0.451 4.796 4.350 -0.008 0.000 0.200 99 E C 1.410 178.009 176.600 -0.001 0.000 1.016 99 E CA 0.245 56.644 56.400 -0.003 0.000 0.921 99 E CB 0.559 30.256 29.700 -0.004 0.000 1.034 99 E HN 0.694 nan 8.360 nan 0.000 0.468 100 A N 3.029 125.848 122.820 -0.002 0.000 2.386 100 A HA 0.336 4.651 4.320 -0.008 0.000 0.248 100 A C -1.997 175.591 177.584 0.006 0.000 1.082 100 A CA -1.026 51.010 52.037 -0.001 0.000 0.789 100 A CB -0.074 18.923 19.000 -0.004 0.000 1.025 100 A HN -0.043 nan 8.150 nan 0.000 0.490 101 P HA 0.179 nan 4.420 nan 0.000 0.274 101 P C -0.189 177.127 177.300 0.027 0.000 1.256 101 P CA -0.366 62.747 63.100 0.022 0.000 0.795 101 P CB 0.650 32.372 31.700 0.036 0.000 1.038 102 D N -0.581 119.836 120.400 0.029 0.000 2.123 102 D HA 0.002 4.637 4.640 -0.008 0.000 0.200 102 D C 0.575 176.891 176.300 0.026 0.000 0.976 102 D CA 1.362 55.379 54.000 0.027 0.000 0.831 102 D CB 0.207 41.020 40.800 0.021 0.000 0.974 102 D HN 0.246 nan 8.370 nan 0.000 0.469 103 L N -0.066 121.180 121.223 0.039 0.000 2.381 103 L HA 0.631 4.966 4.340 -0.008 0.000 0.268 103 L C -0.695 176.251 176.870 0.127 0.000 0.997 103 L CA -0.749 54.110 54.840 0.031 0.000 0.818 103 L CB 2.427 44.438 42.059 -0.081 0.000 1.310 103 L HN -0.175 nan 8.230 nan 0.000 0.416 104 A N 2.185 125.059 122.820 0.090 0.000 2.488 104 A HA 0.441 4.756 4.320 -0.008 0.000 0.298 104 A C -1.088 176.536 177.584 0.067 0.000 1.044 104 A CA -0.524 51.575 52.037 0.103 0.000 0.693 104 A CB 1.775 20.780 19.000 0.009 0.000 1.272 104 A HN 0.684 nan 8.150 nan 0.000 0.402 105 Q N 1.030 120.884 119.800 0.090 0.000 2.286 105 Q HA 0.410 4.745 4.340 -0.008 0.000 0.290 105 Q C -1.184 174.758 176.000 -0.096 0.000 1.049 105 Q CA 0.521 56.324 55.803 -0.001 0.000 0.923 105 Q CB 0.397 29.132 28.738 -0.005 0.000 1.183 105 Q HN 0.572 nan 8.270 nan 0.000 0.383 106 V N 4.089 123.928 119.914 -0.125 0.000 2.569 106 V HA 0.408 4.523 4.120 -0.008 0.000 0.301 106 V C 0.397 176.363 176.094 -0.213 0.000 1.044 106 V CA -0.645 61.570 62.300 -0.143 0.000 0.874 106 V CB 1.662 33.435 31.823 -0.084 0.000 1.002 106 V HN 0.951 nan 8.190 nan 0.000 0.424 107 G N 2.103 110.757 108.800 -0.244 0.000 2.554 107 G HA2 0.175 4.131 3.960 -0.008 0.000 0.238 107 G HA3 0.175 4.131 3.960 -0.008 0.000 0.238 107 G C 0.368 175.112 174.900 -0.259 0.000 1.259 107 G CA 0.188 45.090 45.100 -0.330 0.000 0.843 107 G HN 0.653 nan 8.290 nan 0.000 0.582 108 Y N 1.408 121.627 120.300 -0.134 0.000 2.207 108 Y HA -0.168 4.377 4.550 -0.008 0.000 0.287 108 Y C 2.969 178.747 175.900 -0.203 0.000 1.156 108 Y CA 1.192 59.228 58.100 -0.108 0.000 1.182 108 Y CB -0.809 37.629 38.460 -0.036 0.000 0.979 108 Y HN 0.529 nan 8.280 nan 0.000 0.521 109 A N -0.181 122.440 122.820 -0.331 0.000 2.067 109 A HA -0.136 4.179 4.320 -0.008 0.000 0.219 109 A C 1.956 179.346 177.584 -0.324 0.000 1.158 109 A CA 1.507 53.045 52.037 -0.831 0.000 0.661 109 A CB -0.450 17.741 19.000 -1.348 0.000 0.801 109 A HN 0.543 nan 8.150 nan 0.000 0.452 110 E N -0.842 119.251 120.200 -0.177 0.000 2.400 110 E HA 0.113 4.458 4.350 -0.008 0.000 0.195 110 E C 1.760 178.338 176.600 -0.037 0.000 1.012 110 E CA 0.033 56.382 56.400 -0.085 0.000 0.875 110 E CB -0.047 29.591 29.700 -0.104 0.000 0.859 110 E HN 0.598 nan 8.360 nan 0.000 0.498 111 L N 1.561 122.771 121.223 -0.021 0.000 2.017 111 L HA -0.101 4.234 4.340 -0.008 0.000 0.208 111 L C -0.833 176.059 176.870 0.036 0.000 1.073 111 L CA 1.563 56.409 54.840 0.009 0.000 0.745 111 L CB -0.509 41.572 42.059 0.036 0.000 0.894 111 L HN 0.074 nan 8.230 nan 0.000 0.432 112 P HA -0.200 nan 4.420 nan 0.000 0.218 112 P C 1.167 178.543 177.300 0.126 0.000 1.149 112 P CA 1.362 64.517 63.100 0.092 0.000 0.817 112 P CB 0.046 31.795 31.700 0.081 0.000 0.785 113 E N 0.131 120.365 120.200 0.057 0.000 2.047 113 E HA -0.146 4.199 4.350 -0.008 0.000 0.191 113 E C 1.757 178.427 176.600 0.116 0.000 0.987 113 E CA 1.740 58.188 56.400 0.079 0.000 0.799 113 E CB -0.350 29.375 29.700 0.042 0.000 0.752 113 E HN 0.095 nan 8.360 nan 0.000 0.449 114 V N -0.777 119.173 119.914 0.060 0.000 2.667 114 V HA -0.099 4.016 4.120 -0.008 0.000 0.252 114 V C 2.108 178.205 176.094 0.004 0.000 1.065 114 V CA 1.350 63.662 62.300 0.020 0.000 1.083 114 V CB -0.894 30.921 31.823 -0.014 0.000 0.692 114 V HN 0.309 nan 8.190 nan 0.000 0.468 115 F N 2.854 122.737 119.950 -0.111 0.000 2.051 115 F HA -0.120 4.402 4.527 -0.008 0.000 0.296 115 F C 2.407 178.163 175.800 -0.074 0.000 1.122 115 F CA 2.625 60.509 58.000 -0.193 0.000 1.201 115 F CB -0.908 37.917 39.000 -0.292 0.000 0.978 115 F HN 0.142 nan 8.300 nan 0.000 0.472 116 T N 0.718 115.252 114.554 -0.034 0.000 2.778 116 T HA -0.232 4.113 4.350 -0.008 0.000 0.269 116 T C 1.765 176.413 174.700 -0.086 0.000 1.050 116 T CA 1.812 63.895 62.100 -0.028 0.000 1.137 116 T CB -0.381 68.666 68.868 0.298 0.000 0.860 116 T HN 0.284 nan 8.240 nan 0.000 0.468 117 K N 0.439 120.812 120.400 -0.045 0.000 2.555 117 K HA 0.159 4.474 4.320 -0.008 0.000 0.193 117 K C 1.434 177.946 176.600 -0.147 0.000 1.032 117 K CA 0.415 56.647 56.287 -0.091 0.000 1.004 117 K CB -0.051 32.422 32.500 -0.045 0.000 0.804 117 K HN 0.438 nan 8.250 nan 0.000 0.496 118 G N 1.428 110.088 108.800 -0.233 0.000 2.160 118 G HA2 -0.246 3.709 3.960 -0.008 0.000 0.244 118 G HA3 -0.246 3.709 3.960 -0.008 0.000 0.244 118 G C 0.484 175.308 174.900 -0.126 0.000 1.022 118 G CA 0.014 44.985 45.100 -0.215 0.000 0.741 118 G HN 0.275 nan 8.290 nan 0.000 0.508 119 L N -1.066 120.094 121.223 -0.106 0.000 2.529 119 L HA 0.390 4.725 4.340 -0.008 0.000 0.223 119 L C 1.449 178.315 176.870 -0.007 0.000 1.113 119 L CA 0.236 55.047 54.840 -0.050 0.000 0.861 119 L CB -0.126 41.906 42.059 -0.045 0.000 1.012 119 L HN 0.225 nan 8.230 nan 0.000 0.461 120 L N -0.333 120.895 121.223 0.008 0.000 2.332 120 L HA 0.442 4.777 4.340 -0.008 0.000 0.269 120 L C -0.254 176.755 176.870 0.232 0.000 1.016 120 L CA -0.465 54.450 54.840 0.126 0.000 0.809 120 L CB 1.550 43.676 42.059 0.113 0.000 1.280 120 L HN -0.033 nan 8.230 nan 0.000 0.447 121 Q N 1.044 121.032 119.800 0.312 0.000 2.333 121 Q HA 0.152 4.487 4.340 -0.008 0.000 0.268 121 Q C -1.081 175.083 176.000 0.273 0.000 1.007 121 Q CA -0.793 55.169 55.803 0.264 0.000 0.810 121 Q CB 1.743 30.572 28.738 0.151 0.000 1.264 121 Q HN 0.494 nan 8.270 nan 0.000 0.452 122 D N 3.233 123.738 120.400 0.174 0.000 2.451 122 D HA -0.020 4.615 4.640 -0.008 0.000 0.254 122 D C 0.134 176.371 176.300 -0.105 0.000 1.204 122 D CA 0.285 54.142 54.000 -0.237 0.000 0.896 122 D CB 0.909 41.644 40.800 -0.109 0.000 1.136 122 D HN 0.363 nan 8.370 nan 0.000 0.499 123 V N 1.145 120.969 119.914 -0.149 0.000 2.909 123 V HA 0.171 4.286 4.120 -0.008 0.000 0.362 123 V C 1.511 177.594 176.094 -0.019 0.000 1.356 123 V CA -0.274 62.069 62.300 0.072 0.000 1.195 123 V CB -0.131 31.829 31.823 0.228 0.000 1.256 123 V HN 0.420 nan 8.190 nan 0.000 0.567 124 T N 2.001 116.461 114.554 -0.157 0.000 2.699 124 T HA -0.296 4.049 4.350 -0.008 0.000 0.268 124 T C 1.767 176.394 174.700 -0.122 0.000 1.036 124 T CA 2.784 64.805 62.100 -0.131 0.000 1.147 124 T CB -0.219 68.560 68.868 -0.149 0.000 0.862 124 T HN 0.908 nan 8.240 nan 0.000 0.446 125 Q N -0.292 119.343 119.800 -0.275 0.000 2.369 125 Q HA -0.063 4.272 4.340 -0.008 0.000 0.206 125 Q C 1.509 177.297 176.000 -0.353 0.000 0.963 125 Q CA 1.228 56.817 55.803 -0.357 0.000 0.894 125 Q CB -0.424 28.026 28.738 -0.479 0.000 0.965 125 Q HN 0.556 nan 8.270 nan 0.000 0.475 126 Y N 0.680 120.990 120.300 0.018 0.000 2.301 126 Y HA 0.309 4.854 4.550 -0.008 0.000 0.295 126 Y C 2.727 178.670 175.900 0.071 0.000 1.126 126 Y CA 0.313 58.441 58.100 0.047 0.000 1.154 126 Y CB -0.797 37.742 38.460 0.132 0.000 1.075 126 Y HN 0.196 nan 8.280 nan 0.000 0.534 127 A N 0.764 123.762 122.820 0.298 0.000 1.948 127 A HA -0.282 4.033 4.320 -0.008 0.000 0.220 127 A C 2.007 179.766 177.584 0.292 0.000 1.177 127 A CA 2.170 54.419 52.037 0.354 0.000 0.636 127 A CB -0.770 18.391 19.000 0.268 0.000 0.815 127 A HN 0.579 nan 8.150 nan 0.000 0.449 128 E N -0.655 119.629 120.200 0.141 0.000 2.118 128 E HA -0.232 4.113 4.350 -0.008 0.000 0.195 128 E C 2.139 178.701 176.600 -0.064 0.000 0.992 128 E CA 1.250 57.679 56.400 0.047 0.000 0.804 128 E CB -0.166 29.529 29.700 -0.009 0.000 0.741 128 E HN 0.586 nan 8.360 nan 0.000 0.458 129 Q N -0.419 119.277 119.800 -0.174 0.000 2.167 129 Q HA -0.125 4.210 4.340 -0.008 0.000 0.202 129 Q C 1.274 177.029 176.000 -0.407 0.000 0.970 129 Q CA 1.278 56.861 55.803 -0.367 0.000 0.855 129 Q CB -0.097 28.292 28.738 -0.581 0.000 0.911 129 Q HN 0.514 nan 8.270 nan 0.000 0.438 130 Y N -0.203 120.177 120.300 0.134 0.000 2.458 130 Y HA 0.219 4.764 4.550 -0.008 0.000 0.256 130 Y C 1.951 177.947 175.900 0.161 0.000 1.159 130 Y CA -0.438 57.763 58.100 0.169 0.000 1.261 130 Y CB 0.010 38.649 38.460 0.299 0.000 1.119 130 Y HN -0.018 nan 8.280 nan 0.000 0.524 131 K N 1.324 121.766 120.400 0.070 0.000 2.074 131 K HA -0.239 4.076 4.320 -0.008 0.000 0.209 131 K C 0.898 177.399 176.600 -0.164 0.000 1.048 131 K CA 2.104 58.202 56.287 -0.314 0.000 0.926 131 K CB -0.243 31.872 32.500 -0.642 0.000 0.713 131 K HN 0.469 nan 8.250 nan 0.000 0.444 132 N N 0.307 118.942 118.700 -0.108 0.000 2.521 132 N HA -0.068 4.667 4.740 -0.008 0.000 0.188 132 N C 0.381 175.808 175.510 -0.139 0.000 1.146 132 N CA 0.250 53.235 53.050 -0.108 0.000 0.893 132 N CB 0.214 38.651 38.487 -0.084 0.000 0.975 132 N HN 0.185 nan 8.380 nan 0.000 0.451 133 D N -0.235 120.031 120.400 -0.222 0.000 2.347 133 D HA 0.020 4.655 4.640 -0.008 0.000 0.215 133 D C -0.435 175.372 176.300 -0.821 0.000 0.976 133 D CA 0.773 54.451 54.000 -0.537 0.000 0.884 133 D CB 0.224 40.570 40.800 -0.756 0.000 0.915 133 D HN 0.111 nan 8.370 nan 0.000 0.526 134 F N 0.047 120.000 119.950 0.005 0.000 2.546 134 F HA 0.579 5.101 4.527 -0.008 0.000 0.320 134 F C 0.503 176.321 175.800 0.030 0.000 1.076 134 F CA -1.822 56.205 58.000 0.045 0.000 0.928 134 F CB 1.057 40.135 39.000 0.131 0.000 1.189 134 F HN -0.313 nan 8.300 nan 0.000 0.465 135 A N 0.751 123.714 122.820 0.237 0.000 2.483 135 A HA 0.341 4.656 4.320 -0.008 0.000 0.238 135 A C 1.175 178.857 177.584 0.163 0.000 1.070 135 A CA 0.379 52.503 52.037 0.144 0.000 0.770 135 A CB -0.061 19.012 19.000 0.122 0.000 1.008 135 A HN 0.967 nan 8.150 nan 0.000 0.497 136 S N 2.098 117.860 115.700 0.104 0.000 2.406 136 S HA -0.022 4.443 4.470 -0.008 0.000 0.228 136 S C 1.843 176.515 174.600 0.121 0.000 1.020 136 S CA 1.061 59.332 58.200 0.118 0.000 0.965 136 S CB -0.777 62.461 63.200 0.063 0.000 0.798 136 S HN 1.167 nan 8.310 nan 0.000 0.488 137 G N 3.225 112.064 108.800 0.066 0.000 2.552 137 G HA2 -0.097 3.858 3.960 -0.008 0.000 0.216 137 G HA3 -0.097 3.858 3.960 -0.008 0.000 0.216 137 G C -0.631 174.242 174.900 -0.046 0.000 1.240 137 G CA 1.057 46.162 45.100 0.008 0.000 0.796 137 G HN 0.502 nan 8.290 nan 0.000 0.568 138 P HA -0.190 nan 4.420 nan 0.000 0.216 138 P C 1.467 178.723 177.300 -0.073 0.000 1.153 138 P CA 1.149 64.159 63.100 -0.149 0.000 0.858 138 P CB -0.171 31.560 31.700 0.052 0.000 0.789 139 Y N 1.155 121.436 120.300 -0.032 0.000 2.165 139 Y HA -0.261 4.285 4.550 -0.008 0.000 0.286 139 Y C 2.517 178.394 175.900 -0.038 0.000 1.155 139 Y CA 2.284 60.375 58.100 -0.016 0.000 1.164 139 Y CB -0.919 37.579 38.460 0.063 0.000 0.978 139 Y HN 0.021 nan 8.280 nan 0.000 0.513 140 S N -0.249 115.451 115.700 -0.000 0.000 2.442 140 S HA -0.175 4.290 4.470 -0.008 0.000 0.236 140 S C 1.762 176.273 174.600 -0.149 0.000 1.007 140 S CA 1.453 59.611 58.200 -0.070 0.000 0.965 140 S CB -0.982 62.216 63.200 -0.004 0.000 0.773 140 S HN 0.539 nan 8.310 nan 0.000 0.504 141 L N 1.719 122.816 121.223 -0.211 0.000 2.552 141 L HA 0.127 4.462 4.340 -0.008 0.000 0.227 141 L C 2.136 178.953 176.870 -0.089 0.000 1.146 141 L CA 0.557 55.259 54.840 -0.230 0.000 0.858 141 L CB -0.425 41.253 42.059 -0.635 0.000 0.969 141 L HN 0.453 nan 8.230 nan 0.000 0.451 142 V N -4.050 115.780 119.914 -0.140 0.000 3.649 142 V HA 0.118 4.233 4.120 -0.008 0.000 0.275 142 V C 0.760 176.820 176.094 -0.058 0.000 1.281 142 V CA -0.178 62.076 62.300 -0.076 0.000 1.143 142 V CB -0.442 31.292 31.823 -0.148 0.000 0.892 142 V HN 0.318 nan 8.190 nan 0.000 0.441 143 Q N 0.530 120.264 119.800 -0.109 0.000 2.245 143 Q HA 0.717 5.052 4.340 -0.008 0.000 0.256 143 Q C -1.301 174.676 176.000 -0.038 0.000 0.942 143 Q CA -0.517 55.247 55.803 -0.065 0.000 0.896 143 Q CB 2.748 31.408 28.738 -0.130 0.000 1.272 143 Q HN 0.365 nan 8.270 nan 0.000 0.442 144 V N 1.169 121.076 119.914 -0.012 0.000 2.482 144 V HA 0.451 4.566 4.120 -0.008 0.000 0.295 144 V C 0.476 176.478 176.094 -0.154 0.000 1.026 144 V CA -0.290 61.872 62.300 -0.229 0.000 0.856 144 V CB 1.344 32.687 31.823 -0.800 0.000 1.001 144 V HN 1.039 nan 8.190 nan 0.000 0.424 145 G N 3.587 112.316 108.800 -0.119 0.000 2.314 145 G HA2 0.070 4.025 3.960 -0.008 0.000 0.292 145 G HA3 0.070 4.025 3.960 -0.008 0.000 0.292 145 G C 1.112 175.991 174.900 -0.036 0.000 1.059 145 G CA 0.464 45.525 45.100 -0.065 0.000 0.982 145 G HN 2.377 nan 8.290 nan 0.000 0.505 146 G N -1.349 107.426 108.800 -0.041 0.000 2.269 146 G HA2 -0.313 3.642 3.960 -0.008 0.000 0.277 146 G HA3 -0.313 3.642 3.960 -0.008 0.000 0.277 146 G C 0.357 175.228 174.900 -0.049 0.000 1.008 146 G CA 1.407 46.486 45.100 -0.034 0.000 0.774 146 G HN 1.051 nan 8.290 nan 0.000 0.511 147 K N -0.183 120.181 120.400 -0.060 0.000 2.207 147 K HA 0.743 5.058 4.320 -0.008 0.000 0.255 147 K C 0.193 176.616 176.600 -0.294 0.000 0.941 147 K CA -0.158 56.025 56.287 -0.174 0.000 0.825 147 K CB 2.038 34.429 32.500 -0.181 0.000 1.119 147 K HN 0.381 nan 8.250 nan 0.000 0.430 148 A N 1.965 124.537 122.820 -0.413 0.000 2.312 148 A HA 0.466 4.781 4.320 -0.008 0.000 0.326 148 A C -0.859 176.400 177.584 -0.542 0.000 1.172 148 A CA -0.387 51.437 52.037 -0.355 0.000 0.821 148 A CB 0.173 19.029 19.000 -0.240 0.000 1.166 148 A HN 0.859 nan 8.150 nan 0.000 0.493 149 Y N 0.865 121.135 120.300 -0.050 0.000 2.626 149 Y HA 0.464 5.010 4.550 -0.007 0.000 0.248 149 Y C 1.245 177.145 175.900 0.000 0.000 1.147 149 Y CA 0.581 58.687 58.100 0.010 0.000 1.219 149 Y CB 0.973 39.455 38.460 0.036 0.000 1.279 149 Y HN 1.072 nan 8.280 nan 0.000 0.541 150 G N -0.440 108.389 108.800 0.048 0.000 2.392 150 G HA2 0.386 4.341 3.960 -0.008 0.000 0.260 150 G HA3 0.386 4.341 3.960 -0.008 0.000 0.260 150 G C -2.151 172.713 174.900 -0.061 0.000 1.226 150 G CA -0.924 44.178 45.100 0.004 0.000 0.913 150 G HN -0.091 nan 8.290 nan 0.000 0.483 151 L N 1.756 122.901 121.223 -0.129 0.000 2.381 151 L HA 0.548 4.883 4.340 -0.008 0.000 0.268 151 L C -2.250 174.436 176.870 -0.308 0.000 0.997 151 L CA -2.051 52.618 54.840 -0.285 0.000 0.818 151 L CB 2.909 44.727 42.059 -0.401 0.000 1.310 151 L HN 0.370 nan 8.230 nan 0.000 0.416 152 P HA 0.046 nan 4.420 nan 0.000 0.271 152 P C -0.799 176.415 177.300 -0.142 0.000 1.218 152 P CA -0.076 62.967 63.100 -0.096 0.000 0.780 152 P CB 1.865 33.586 31.700 0.035 0.000 0.901 153 Q N 1.363 121.168 119.800 0.008 0.000 2.548 153 Q HA 0.068 4.403 4.340 -0.008 0.000 0.230 153 Q C -0.016 176.048 176.000 0.107 0.000 0.899 153 Q CA 0.417 56.245 55.803 0.041 0.000 0.936 153 Q CB 0.600 29.348 28.738 0.016 0.000 1.114 153 Q HN 0.623 nan 8.270 nan 0.000 0.606 154 D N -0.445 120.016 120.400 0.102 0.000 2.643 154 D HA 0.196 4.831 4.640 -0.008 0.000 0.283 154 D C -0.892 175.552 176.300 0.241 0.000 1.242 154 D CA -0.275 53.815 54.000 0.150 0.000 0.863 154 D CB 1.359 42.215 40.800 0.094 0.000 1.382 154 D HN 0.145 nan 8.370 nan 0.000 0.444 155 T N -4.065 110.637 114.554 0.246 0.000 2.907 155 T HA 0.684 5.029 4.350 -0.008 0.000 0.292 155 T C 0.302 175.163 174.700 0.267 0.000 1.043 155 T CA -0.857 61.414 62.100 0.286 0.000 1.003 155 T CB 1.706 70.708 68.868 0.223 0.000 1.084 155 T HN 0.609 nan 8.240 nan 0.000 0.483 156 G N 2.476 111.437 108.800 0.269 0.000 4.873 156 G HA2 0.508 4.463 3.960 -0.008 0.000 0.314 156 G HA3 0.508 4.463 3.960 -0.008 0.000 0.314 156 G C -2.611 172.304 174.900 0.025 0.000 1.426 156 G CA -1.488 43.757 45.100 0.242 0.000 1.136 156 G HN 0.641 nan 8.290 nan 0.000 0.589 157 P HA 0.188 nan 4.420 nan 0.000 0.275 157 P C 0.041 177.243 177.300 -0.163 0.000 1.228 157 P CA -0.212 62.849 63.100 -0.064 0.000 0.786 157 P CB 1.986 33.677 31.700 -0.016 0.000 0.927 158 L N 2.986 124.119 121.223 -0.150 0.000 2.349 158 L HA 0.370 4.706 4.340 -0.008 0.000 0.275 158 L C 1.017 177.827 176.870 -0.099 0.000 1.115 158 L CA -0.254 54.474 54.840 -0.186 0.000 0.820 158 L CB 0.983 42.924 42.059 -0.196 0.000 1.135 158 L HN 0.294 nan 8.230 nan 0.000 0.445 159 V N 0.551 120.416 119.914 -0.081 0.000 3.087 159 V HA 0.550 4.665 4.120 -0.008 0.000 0.311 159 V C -1.729 174.478 176.094 0.188 0.000 1.333 159 V CA -0.929 61.428 62.300 0.096 0.000 1.054 159 V CB 2.020 33.988 31.823 0.240 0.000 1.123 159 V HN 0.499 nan 8.190 nan 0.000 0.473 160 Y N 0.954 121.390 120.300 0.225 0.000 2.338 160 Y HA 0.792 5.337 4.550 -0.008 0.000 0.333 160 Y C -1.436 174.828 175.900 0.607 0.000 0.968 160 Y CA -1.795 56.518 58.100 0.355 0.000 1.123 160 Y CB 1.605 40.326 38.460 0.436 0.000 1.165 160 Y HN 0.569 nan 8.280 nan 0.000 0.452 161 F N 7.140 126.993 119.950 -0.162 0.000 2.404 161 F HA 0.454 4.976 4.527 -0.008 0.000 0.339 161 F C -0.505 175.296 175.800 0.001 0.000 1.105 161 F CA -1.343 56.641 58.000 -0.027 0.000 1.087 161 F CB 0.459 39.295 39.000 -0.273 0.000 1.143 161 F HN 0.533 nan 8.300 nan 0.000 0.491 162 Y N 0.178 120.630 120.300 0.253 0.000 2.552 162 Y HA 0.421 4.965 4.550 -0.009 0.000 0.337 162 Y C -0.858 174.921 175.900 -0.201 0.000 1.094 162 Y CA -1.361 56.738 58.100 -0.002 0.000 1.028 162 Y CB 1.221 39.392 38.460 -0.481 0.000 1.321 162 Y HN 0.497 nan 8.280 nan 0.000 0.456 163 N N 3.755 122.005 118.700 -0.749 0.000 2.415 163 N HA 0.054 4.790 4.740 -0.008 0.000 0.250 163 N C 0.528 175.773 175.510 -0.441 0.000 1.127 163 N CA 0.119 52.576 53.050 -0.988 0.000 0.945 163 N CB 1.252 38.991 38.487 -1.246 0.000 1.196 163 N HN 1.001 nan 8.380 nan 0.000 0.499 164 K N 3.166 123.249 120.400 -0.528 0.000 2.147 164 K HA -0.103 4.212 4.320 -0.008 0.000 0.205 164 K C 1.557 178.146 176.600 -0.018 0.000 1.049 164 K CA 1.259 57.436 56.287 -0.183 0.000 0.936 164 K CB 0.077 32.453 32.500 -0.207 0.000 0.722 164 K HN 0.573 nan 8.250 nan 0.000 0.446 165 A N 1.489 124.235 122.820 -0.123 0.000 1.877 165 A HA -0.167 4.148 4.320 -0.008 0.000 0.216 165 A C 1.866 179.443 177.584 -0.012 0.000 1.186 165 A CA 1.575 53.569 52.037 -0.073 0.000 0.620 165 A CB -0.386 18.533 19.000 -0.135 0.000 0.822 165 A HN 0.323 nan 8.150 nan 0.000 0.443 166 E N -0.893 119.295 120.200 -0.020 0.000 2.152 166 E HA -0.105 4.240 4.350 -0.008 0.000 0.192 166 E C 1.720 178.411 176.600 0.152 0.000 0.983 166 E CA 0.671 57.092 56.400 0.036 0.000 0.818 166 E CB -0.417 29.280 29.700 -0.005 0.000 0.758 166 E HN 0.628 nan 8.360 nan 0.000 0.467 167 F N 2.282 122.230 119.950 -0.003 0.000 2.095 167 F HA -0.163 4.359 4.527 -0.009 0.000 0.298 167 F C 2.395 178.204 175.800 0.015 0.000 1.104 167 F CA 1.109 59.135 58.000 0.042 0.000 1.232 167 F CB -0.402 38.692 39.000 0.157 0.000 0.987 167 F HN -0.033 nan 8.300 nan 0.000 0.475 168 E N 0.496 120.824 120.200 0.213 0.000 2.097 168 E HA -0.240 4.105 4.350 -0.008 0.000 0.196 168 E C 2.104 178.729 176.600 0.041 0.000 1.000 168 E CA 1.346 57.807 56.400 0.102 0.000 0.804 168 E CB -0.527 29.215 29.700 0.071 0.000 0.740 168 E HN 0.430 nan 8.360 nan 0.000 0.454 169 K N 0.267 120.681 120.400 0.023 0.000 2.147 169 K HA -0.056 4.259 4.320 -0.008 0.000 0.205 169 K C 2.085 178.665 176.600 -0.033 0.000 1.049 169 K CA 0.712 56.993 56.287 -0.010 0.000 0.936 169 K CB -0.077 32.411 32.500 -0.019 0.000 0.722 169 K HN 0.084 nan 8.250 nan 0.000 0.446 170 L N -0.631 120.560 121.223 -0.052 0.000 2.591 170 L HA 0.125 4.460 4.340 -0.008 0.000 0.228 170 L C 1.062 177.880 176.870 -0.086 0.000 1.133 170 L CA 0.262 55.043 54.840 -0.099 0.000 0.880 170 L CB 0.246 42.197 42.059 -0.181 0.000 1.033 170 L HN 0.410 nan 8.230 nan 0.000 0.450 171 G N 0.888 109.663 108.800 -0.042 0.000 2.143 171 G HA2 -0.288 3.667 3.960 -0.008 0.000 0.249 171 G HA3 -0.288 3.667 3.960 -0.008 0.000 0.249 171 G C 0.242 175.128 174.900 -0.023 0.000 0.981 171 G CA -0.163 44.921 45.100 -0.027 0.000 0.665 171 G HN 0.316 nan 8.290 nan 0.000 0.528 172 I N 2.548 123.101 120.570 -0.028 0.000 2.260 172 I HA 0.261 4.426 4.170 -0.008 0.000 0.297 172 I C 1.742 177.948 176.117 0.148 0.000 1.143 172 I CA 0.502 61.807 61.300 0.008 0.000 1.271 172 I CB 0.698 38.612 38.000 -0.142 0.000 1.461 172 I HN 0.230 nan 8.210 nan 0.000 0.530 173 T N 0.430 115.045 114.554 0.103 0.000 3.081 173 T HA 0.245 4.590 4.350 -0.008 0.000 0.250 173 T C 0.594 175.369 174.700 0.124 0.000 1.100 173 T CA 0.061 62.230 62.100 0.114 0.000 1.038 173 T CB 0.204 69.114 68.868 0.069 0.000 0.962 173 T HN 0.362 nan 8.240 nan 0.000 0.516 174 E N 0.914 121.191 120.200 0.129 0.000 2.356 174 E HA 0.393 4.738 4.350 -0.008 0.000 0.275 174 E C -0.677 176.010 176.600 0.145 0.000 0.904 174 E CA -0.894 55.575 56.400 0.116 0.000 0.757 174 E CB 2.103 31.854 29.700 0.085 0.000 1.232 174 E HN 0.148 nan 8.360 nan 0.000 0.442 175 I N 3.324 123.962 120.570 0.113 0.000 2.581 175 I HA 0.098 4.263 4.170 -0.008 0.000 0.285 175 I C -2.031 174.225 176.117 0.231 0.000 1.129 175 I CA -1.553 59.847 61.300 0.168 0.000 1.397 175 I CB -0.631 37.419 38.000 0.083 0.000 1.399 175 I HN 0.013 nan 8.210 nan 0.000 0.537 176 P HA 0.110 nan 4.420 nan 0.000 0.271 176 P C 0.231 177.796 177.300 0.442 0.000 1.216 176 P CA -0.227 63.033 63.100 0.267 0.000 0.776 176 P CB 0.744 32.549 31.700 0.175 0.000 0.881 177 Q N -0.010 119.955 119.800 0.274 0.000 2.378 177 Q HA 0.070 4.405 4.340 -0.008 0.000 0.216 177 Q C 0.655 176.751 176.000 0.161 0.000 0.892 177 Q CA 0.726 56.637 55.803 0.180 0.000 0.931 177 Q CB 0.043 28.799 28.738 0.030 0.000 1.086 177 Q HN 0.583 nan 8.270 nan 0.000 0.528 178 T N -3.186 111.498 114.554 0.217 0.000 2.929 178 T HA 0.627 4.972 4.350 -0.008 0.000 0.284 178 T C 1.243 176.119 174.700 0.293 0.000 1.014 178 T CA -0.015 62.193 62.100 0.180 0.000 1.051 178 T CB 1.874 70.803 68.868 0.101 0.000 1.028 178 T HN 0.016 nan 8.240 nan 0.000 0.485 179 A N 1.767 124.718 122.820 0.218 0.000 1.892 179 A HA -0.135 4.180 4.320 -0.008 0.000 0.218 179 A C 1.987 179.684 177.584 0.188 0.000 1.188 179 A CA 1.968 54.129 52.037 0.207 0.000 0.631 179 A CB -1.096 17.998 19.000 0.157 0.000 0.822 179 A HN 0.910 nan 8.150 nan 0.000 0.447 180 D N -0.872 119.599 120.400 0.118 0.000 2.104 180 D HA -0.166 4.469 4.640 -0.008 0.000 0.194 180 D C 1.927 178.262 176.300 0.058 0.000 0.994 180 D CA 1.677 55.719 54.000 0.070 0.000 0.830 180 D CB -0.413 40.413 40.800 0.045 0.000 0.959 180 D HN 0.764 nan 8.370 nan 0.000 0.452 181 E N -0.512 119.735 120.200 0.078 0.000 2.077 181 E HA -0.184 4.161 4.350 -0.008 0.000 0.193 181 E C 2.039 178.652 176.600 0.021 0.000 0.989 181 E CA 0.650 57.079 56.400 0.049 0.000 0.800 181 E CB -0.326 29.417 29.700 0.071 0.000 0.746 181 E HN 0.235 nan 8.360 nan 0.000 0.452 182 F N 0.878 120.780 119.950 -0.080 0.000 2.075 182 F HA -0.161 4.361 4.527 -0.008 0.000 0.297 182 F C 1.973 177.639 175.800 -0.222 0.000 1.113 182 F CA 1.782 59.650 58.000 -0.220 0.000 1.218 182 F CB -0.172 38.508 39.000 -0.534 0.000 0.984 182 F HN 0.030 nan 8.300 nan 0.000 0.472 183 I N 0.298 120.900 120.570 0.053 0.000 2.151 183 I HA -0.389 3.776 4.170 -0.008 0.000 0.243 183 I C 2.704 178.723 176.117 -0.163 0.000 1.080 183 I CA 1.367 62.610 61.300 -0.096 0.000 1.339 183 I CB -0.977 36.974 38.000 -0.081 0.000 1.039 183 I HN 0.270 nan 8.210 nan 0.000 0.409 184 A N 0.697 123.443 122.820 -0.123 0.000 1.892 184 A HA -0.288 4.027 4.320 -0.008 0.000 0.218 184 A C 2.541 180.004 177.584 -0.202 0.000 1.188 184 A CA 2.371 54.328 52.037 -0.134 0.000 0.631 184 A CB -1.109 17.837 19.000 -0.090 0.000 0.822 184 A HN 0.469 nan 8.150 nan 0.000 0.447 185 A N -0.434 122.219 122.820 -0.278 0.000 1.902 185 A HA 0.141 4.456 4.320 -0.008 0.000 0.217 185 A C 2.505 179.822 177.584 -0.446 0.000 1.181 185 A CA 2.233 54.045 52.037 -0.375 0.000 0.623 185 A CB -1.010 17.705 19.000 -0.474 0.000 0.818 185 A HN 1.167 nan 8.150 nan 0.000 0.443 186 A N -0.353 122.164 122.820 -0.505 0.000 1.930 186 A HA -0.136 4.179 4.320 -0.008 0.000 0.217 186 A C 2.099 179.519 177.584 -0.274 0.000 1.175 186 A CA 1.743 53.533 52.037 -0.412 0.000 0.627 186 A CB -0.381 18.407 19.000 -0.355 0.000 0.815 186 A HN 0.550 nan 8.150 nan 0.000 0.443 187 K N -0.863 119.400 120.400 -0.228 0.000 2.057 187 K HA -0.091 4.224 4.320 -0.008 0.000 0.207 187 K C 2.118 178.607 176.600 -0.184 0.000 1.049 187 K CA 1.699 57.881 56.287 -0.175 0.000 0.931 187 K CB -0.390 32.028 32.500 -0.137 0.000 0.714 187 K HN 0.465 nan 8.250 nan 0.000 0.440 188 T N 1.198 115.632 114.554 -0.200 0.000 2.652 188 T HA -0.203 4.142 4.350 -0.008 0.000 0.267 188 T C 1.993 176.560 174.700 -0.221 0.000 1.039 188 T CA 1.572 63.557 62.100 -0.192 0.000 1.153 188 T CB -0.349 68.403 68.868 -0.193 0.000 0.863 188 T HN 0.347 nan 8.240 nan 0.000 0.428 189 A N 1.595 124.247 122.820 -0.280 0.000 1.892 189 A HA 0.022 4.337 4.320 -0.008 0.000 0.218 189 A C 2.670 180.058 177.584 -0.327 0.000 1.188 189 A CA 2.172 54.028 52.037 -0.302 0.000 0.631 189 A CB -1.268 17.523 19.000 -0.347 0.000 0.822 189 A HN 0.536 nan 8.150 nan 0.000 0.447 190 A N -0.334 122.277 122.820 -0.348 0.000 1.940 190 A HA 0.135 4.450 4.320 -0.008 0.000 0.219 190 A C 2.460 179.877 177.584 -0.277 0.000 1.176 190 A CA 2.108 53.897 52.037 -0.414 0.000 0.631 190 A CB -0.964 17.863 19.000 -0.289 0.000 0.814 190 A HN 1.173 nan 8.150 nan 0.000 0.446 191 A N -0.503 122.198 122.820 -0.198 0.000 2.019 191 A HA 0.232 4.547 4.320 -0.008 0.000 0.219 191 A C 2.102 179.606 177.584 -0.132 0.000 1.164 191 A CA 1.694 53.647 52.037 -0.140 0.000 0.644 191 A CB -0.605 18.326 19.000 -0.117 0.000 0.805 191 A HN 1.125 nan 8.150 nan 0.000 0.449 192 A N -1.594 121.131 122.820 -0.159 0.000 2.337 192 A HA 0.451 4.766 4.320 -0.008 0.000 0.227 192 A C 1.573 179.074 177.584 -0.138 0.000 1.259 192 A CA 0.918 52.877 52.037 -0.131 0.000 0.870 192 A CB -1.058 17.866 19.000 -0.126 0.000 0.927 192 A HN 1.817 nan 8.150 nan 0.000 0.497 193 G N -0.265 108.424 108.800 -0.185 0.000 2.179 193 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.257 193 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.257 193 G C 0.067 174.825 174.900 -0.236 0.000 1.010 193 G CA 0.678 45.672 45.100 -0.177 0.000 0.736 193 G HN 0.420 nan 8.290 nan 0.000 0.513 194 K N -0.922 119.255 120.400 -0.372 0.000 2.238 194 K HA 0.739 5.054 4.320 -0.008 0.000 0.239 194 K C -0.882 175.375 176.600 -0.571 0.000 0.987 194 K CA -0.838 55.283 56.287 -0.276 0.000 0.857 194 K CB 1.497 33.905 32.500 -0.152 0.000 1.154 194 K HN 0.172 nan 8.250 nan 0.000 0.439 195 Y N 0.608 120.925 120.300 0.027 0.000 2.354 195 Y HA 0.292 4.837 4.550 -0.007 0.000 0.330 195 Y C 1.079 177.059 175.900 0.133 0.000 1.011 195 Y CA -0.775 57.361 58.100 0.059 0.000 1.099 195 Y CB 1.137 39.654 38.460 0.094 0.000 1.179 195 Y HN 0.492 nan 8.280 nan 0.000 0.442 196 I N -0.393 120.302 120.570 0.208 0.000 3.875 196 I HA 0.366 4.531 4.170 -0.008 0.000 0.329 196 I C -0.148 176.333 176.117 0.607 0.000 1.295 196 I CA 0.304 61.813 61.300 0.349 0.000 1.129 196 I CB 0.401 38.403 38.000 0.005 0.000 1.008 196 I HN 0.470 nan 8.210 nan 0.000 0.413 197 M N 1.854 121.763 119.600 0.515 0.000 2.484 197 M HA 0.509 4.984 4.480 -0.008 0.000 0.289 197 M C -0.845 175.736 176.300 0.467 0.000 1.206 197 M CA -0.617 55.021 55.300 0.563 0.000 0.892 197 M CB 2.224 35.141 32.600 0.529 0.000 1.712 197 M HN 0.210 nan 8.290 nan 0.000 0.462 198 S N 2.486 118.474 115.700 0.481 0.000 2.549 198 S HA 0.661 5.126 4.470 -0.008 0.000 0.297 198 S C -1.264 173.630 174.600 0.490 0.000 1.115 198 S CA -0.593 57.859 58.200 0.420 0.000 1.059 198 S CB 1.187 64.658 63.200 0.452 0.000 1.046 198 S HN 0.693 nan 8.310 nan 0.000 0.506 199 Y N 1.904 122.349 120.300 0.241 0.000 2.353 199 Y HA 0.392 4.937 4.550 -0.008 0.000 0.340 199 Y C -0.312 175.604 175.900 0.026 0.000 0.972 199 Y CA -0.543 57.623 58.100 0.110 0.000 1.157 199 Y CB 1.109 39.632 38.460 0.105 0.000 1.157 199 Y HN 0.761 nan 8.280 nan 0.000 0.495 200 Q N 9.008 128.552 119.800 -0.425 0.000 2.506 200 Q HA 0.233 4.568 4.340 -0.008 0.000 0.242 200 Q C -2.014 173.675 176.000 -0.517 0.000 1.060 200 Q CA -2.000 53.581 55.803 -0.371 0.000 0.826 200 Q CB 1.407 29.947 28.738 -0.331 0.000 1.169 200 Q HN 0.545 nan 8.270 nan 0.000 0.521 201 P HA -0.181 nan 4.420 nan 0.000 0.219 201 P C 0.577 177.745 177.300 -0.219 0.000 1.150 201 P CA 1.173 64.028 63.100 -0.409 0.000 0.814 201 P CB 0.255 31.842 31.700 -0.189 0.000 0.787 202 D N -0.346 119.966 120.400 -0.148 0.000 2.378 202 D HA -0.141 4.494 4.640 -0.008 0.000 0.222 202 D C 1.126 177.416 176.300 -0.015 0.000 0.980 202 D CA 0.850 54.822 54.000 -0.047 0.000 0.907 202 D CB -0.503 40.313 40.800 0.027 0.000 0.899 202 D HN 0.152 nan 8.370 nan 0.000 0.527 203 E N -0.675 119.461 120.200 -0.107 0.000 2.660 203 E HA 0.307 4.653 4.350 -0.008 0.000 0.216 203 E C 1.452 177.995 176.600 -0.096 0.000 0.986 203 E CA 0.102 56.470 56.400 -0.053 0.000 1.037 203 E CB 0.946 30.588 29.700 -0.096 0.000 1.041 203 E HN 0.306 nan 8.360 nan 0.000 0.480 204 A N 0.630 123.357 122.820 -0.156 0.000 1.933 204 A HA -0.074 4.242 4.320 -0.008 0.000 0.218 204 A C 2.236 179.795 177.584 -0.042 0.000 1.175 204 A CA 1.831 53.771 52.037 -0.161 0.000 0.628 204 A CB -0.720 18.154 19.000 -0.208 0.000 0.814 204 A HN 0.285 nan 8.150 nan 0.000 0.444 205 G N -0.554 108.240 108.800 -0.010 0.000 2.443 205 G HA2 -0.184 3.771 3.960 -0.008 0.000 0.219 205 G HA3 -0.184 3.771 3.960 -0.008 0.000 0.219 205 G C 1.359 176.372 174.900 0.188 0.000 1.131 205 G CA 1.073 46.209 45.100 0.060 0.000 0.775 205 G HN 0.563 nan 8.290 nan 0.000 0.547 206 N N -0.414 118.359 118.700 0.121 0.000 2.508 206 N HA 0.088 4.823 4.740 -0.008 0.000 0.186 206 N C 2.017 177.556 175.510 0.049 0.000 1.034 206 N CA 0.513 53.645 53.050 0.136 0.000 0.885 206 N CB -0.352 38.227 38.487 0.154 0.000 1.135 206 N HN 0.293 nan 8.380 nan 0.000 0.435 207 M N 0.638 120.238 119.600 -0.000 0.000 2.160 207 M HA 0.124 4.599 4.480 -0.008 0.000 0.264 207 M C 1.621 177.876 176.300 -0.077 0.000 1.073 207 M CA 1.252 56.510 55.300 -0.070 0.000 1.142 207 M CB 0.121 32.658 32.600 -0.106 0.000 1.358 207 M HN -0.057 nan 8.290 nan 0.000 0.422 208 I N 0.259 120.808 120.570 -0.036 0.000 2.617 208 I HA -0.195 3.970 4.170 -0.008 0.000 0.256 208 I C 2.469 178.677 176.117 0.152 0.000 1.167 208 I CA 1.092 62.428 61.300 0.060 0.000 1.469 208 I CB -0.265 37.758 38.000 0.038 0.000 1.098 208 I HN 0.453 nan 8.210 nan 0.000 0.436 209 S N 0.832 116.577 115.700 0.074 0.000 2.382 209 S HA -0.100 4.365 4.470 -0.008 0.000 0.228 209 S C 2.166 176.442 174.600 -0.541 0.000 1.027 209 S CA 1.053 59.133 58.200 -0.201 0.000 0.991 209 S CB -1.167 61.970 63.200 -0.104 0.000 0.823 209 S HN 0.456 nan 8.310 nan 0.000 0.469 210 G N 2.094 110.684 108.800 -0.351 0.000 2.421 210 G HA2 -0.036 3.919 3.960 -0.008 0.000 0.216 210 G HA3 -0.036 3.919 3.960 -0.008 0.000 0.216 210 G C 1.466 176.181 174.900 -0.309 0.000 1.171 210 G CA 0.938 45.819 45.100 -0.365 0.000 0.775 210 G HN 0.494 nan 8.290 nan 0.000 0.543 211 L N 0.671 121.742 121.223 -0.253 0.000 1.994 211 L HA -0.052 4.283 4.340 -0.008 0.000 0.208 211 L C 3.442 180.240 176.870 -0.121 0.000 1.071 211 L CA 1.163 55.818 54.840 -0.309 0.000 0.745 211 L CB -0.487 41.280 42.059 -0.487 0.000 0.892 211 L HN 0.301 nan 8.230 nan 0.000 0.431 212 A N 0.215 123.049 122.820 0.024 0.000 1.902 212 A HA -0.130 4.185 4.320 -0.008 0.000 0.217 212 A C 2.314 179.902 177.584 0.006 0.000 1.181 212 A CA 1.759 53.870 52.037 0.123 0.000 0.623 212 A CB -1.225 18.025 19.000 0.417 0.000 0.818 212 A HN 0.466 nan 8.150 nan 0.000 0.443 213 G N -1.049 107.606 108.800 -0.241 0.000 2.598 213 G HA2 0.174 4.129 3.960 -0.008 0.000 0.215 213 G HA3 0.174 4.129 3.960 -0.008 0.000 0.215 213 G C 1.505 176.363 174.900 -0.071 0.000 1.131 213 G CA 1.013 45.977 45.100 -0.227 0.000 0.785 213 G HN 0.754 nan 8.290 nan 0.000 0.539 214 A N 1.270 124.025 122.820 -0.108 0.000 2.032 214 A HA -0.067 4.248 4.320 -0.008 0.000 0.221 214 A C 2.519 180.091 177.584 -0.020 0.000 1.165 214 A CA 2.404 54.402 52.037 -0.066 0.000 0.645 214 A CB -0.370 18.583 19.000 -0.080 0.000 0.807 214 A HN 0.738 nan 8.150 nan 0.000 0.453 215 S N -2.683 113.019 115.700 0.004 0.000 2.539 215 S HA 0.515 4.980 4.470 -0.008 0.000 0.221 215 S C 0.611 175.228 174.600 0.028 0.000 0.987 215 S CA 0.420 58.630 58.200 0.016 0.000 0.929 215 S CB 0.181 63.397 63.200 0.027 0.000 0.832 215 S HN 1.652 nan 8.310 nan 0.000 0.492 216 G N -0.468 108.355 108.800 0.039 0.000 2.376 216 G HA2 0.450 4.405 3.960 -0.008 0.000 0.302 216 G HA3 0.450 4.405 3.960 -0.008 0.000 0.302 216 G C -0.326 174.588 174.900 0.023 0.000 1.586 216 G CA -0.410 44.709 45.100 0.032 0.000 0.907 216 G HN 0.517 nan 8.290 nan 0.000 0.655 217 G N -0.943 107.800 108.800 -0.096 0.000 2.539 217 G HA2 0.425 4.380 3.960 -0.008 0.000 0.258 217 G HA3 0.425 4.380 3.960 -0.008 0.000 0.258 217 G C 0.413 175.230 174.900 -0.137 0.000 1.202 217 G CA -0.164 44.708 45.100 -0.380 0.000 0.851 217 G HN 0.525 nan 8.290 nan 0.000 0.556 218 W N -0.622 120.286 121.300 -0.653 0.000 2.907 218 W HA 0.314 4.968 4.660 -0.009 0.000 0.271 218 W C -0.384 175.691 176.519 -0.739 0.000 1.253 218 W CA -0.617 56.328 57.345 -0.666 0.000 1.501 218 W CB -0.223 28.704 29.460 -0.888 0.000 1.047 218 W HN 0.334 nan 8.180 nan 0.000 0.610 219 Y N 1.419 121.731 120.300 0.019 0.000 2.361 219 Y HA 0.433 4.979 4.550 -0.008 0.000 0.337 219 Y C -0.027 175.982 175.900 0.181 0.000 0.965 219 Y CA -1.796 56.395 58.100 0.152 0.000 1.091 219 Y CB 1.035 39.560 38.460 0.109 0.000 1.182 219 Y HN -0.216 nan 8.280 nan 0.000 0.450 220 K N 0.587 121.217 120.400 0.383 0.000 2.501 220 K HA 0.760 5.075 4.320 -0.008 0.000 0.252 220 K C -1.760 174.806 176.600 -0.057 0.000 0.934 220 K CA -1.047 55.315 56.287 0.126 0.000 0.797 220 K CB 2.151 34.663 32.500 0.020 0.000 1.270 220 K HN 0.301 nan 8.250 nan 0.000 0.431 221 V N 2.818 122.473 119.914 -0.432 0.000 2.470 221 V HA 0.138 4.253 4.120 -0.008 0.000 0.276 221 V C -0.156 175.771 176.094 -0.278 0.000 1.040 221 V CA -0.109 61.825 62.300 -0.610 0.000 1.008 221 V CB 0.508 31.858 31.823 -0.788 0.000 0.990 221 V HN 0.659 nan 8.190 nan 0.000 0.477 222 K N 4.292 124.576 120.400 -0.193 0.000 2.473 222 K HA 0.517 4.832 4.320 -0.008 0.000 0.246 222 K C 0.920 177.459 176.600 -0.102 0.000 1.011 222 K CA 0.351 56.572 56.287 -0.110 0.000 0.984 222 K CB 1.254 33.722 32.500 -0.053 0.000 1.250 222 K HN 0.955 nan 8.250 nan 0.000 0.454 223 G N 3.397 112.132 108.800 -0.108 0.000 2.846 223 G HA2 -0.420 3.535 3.960 -0.008 0.000 0.317 223 G HA3 -0.420 3.535 3.960 -0.008 0.000 0.317 223 G C 0.505 175.348 174.900 -0.094 0.000 1.210 223 G CA 0.779 45.829 45.100 -0.084 0.000 0.972 223 G HN 0.707 nan 8.290 nan 0.000 0.567 224 D N 0.785 121.147 120.400 -0.063 0.000 2.350 224 D HA 0.414 5.049 4.640 -0.008 0.000 0.213 224 D C 1.011 177.288 176.300 -0.039 0.000 1.031 224 D CA 1.039 55.014 54.000 -0.043 0.000 0.861 224 D CB 0.382 41.175 40.800 -0.012 0.000 0.926 224 D HN 0.523 nan 8.370 nan 0.000 0.520 225 S N -0.778 114.884 115.700 -0.064 0.000 2.569 225 S HA 0.420 4.885 4.470 -0.008 0.000 0.280 225 S C -1.236 173.329 174.600 -0.058 0.000 1.111 225 S CA -0.991 57.207 58.200 -0.003 0.000 0.887 225 S CB 1.129 64.358 63.200 0.048 0.000 1.095 225 S HN 0.134 nan 8.310 nan 0.000 0.476 226 W N 1.567 122.890 121.300 0.038 0.000 2.238 226 W HA 0.492 5.149 4.660 -0.006 0.000 0.321 226 W C -0.452 176.103 176.519 0.060 0.000 1.293 226 W CA -0.339 57.037 57.345 0.051 0.000 1.204 226 W CB 0.577 30.072 29.460 0.057 0.000 1.167 226 W HN 0.257 nan 8.180 nan 0.000 0.553 227 V N 4.964 125.072 119.914 0.323 0.000 2.384 227 V HA 0.368 4.483 4.120 -0.008 0.000 0.287 227 V C -0.331 175.924 176.094 0.269 0.000 1.020 227 V CA -1.030 61.403 62.300 0.221 0.000 0.850 227 V CB 1.096 32.989 31.823 0.116 0.000 0.987 227 V HN 0.246 nan 8.190 nan 0.000 0.436 228 V N 4.367 124.408 119.914 0.212 0.000 2.417 228 V HA 0.555 4.670 4.120 -0.008 0.000 0.291 228 V C -0.270 175.849 176.094 0.041 0.000 1.024 228 V CA -0.506 61.904 62.300 0.183 0.000 0.861 228 V CB 1.755 33.713 31.823 0.225 0.000 0.985 228 V HN 0.904 nan 8.190 nan 0.000 0.436 229 N N 2.539 121.206 118.700 -0.056 0.000 2.607 229 N HA 0.164 4.899 4.740 -0.008 0.000 0.271 229 N C 0.511 175.818 175.510 -0.338 0.000 1.142 229 N CA 0.059 53.033 53.050 -0.127 0.000 0.810 229 N CB 1.817 40.268 38.487 -0.060 0.000 1.306 229 N HN 0.678 nan 8.380 nan 0.000 0.536 230 T N -0.788 113.441 114.554 -0.542 0.000 3.219 230 T HA 0.180 4.525 4.350 -0.008 0.000 0.249 230 T C 0.070 174.268 174.700 -0.837 0.000 1.099 230 T CA 0.389 61.728 62.100 -1.267 0.000 0.988 230 T CB -0.238 67.899 68.868 -1.217 0.000 0.999 230 T HN 0.482 nan 8.240 nan 0.000 0.550 231 E N 2.385 122.348 120.200 -0.395 0.000 3.659 231 E HA 0.178 4.524 4.350 -0.008 0.000 0.217 231 E C 0.087 176.604 176.600 -0.139 0.000 1.141 231 E CA -0.445 55.824 56.400 -0.218 0.000 1.340 231 E CB 0.667 30.298 29.700 -0.115 0.000 1.295 231 E HN 0.622 nan 8.360 nan 0.000 0.434 232 T N -2.415 112.075 114.554 -0.107 0.000 2.754 232 T HA 0.057 4.402 4.350 -0.008 0.000 0.286 232 T C 0.980 175.662 174.700 -0.029 0.000 0.997 232 T CA -0.599 61.494 62.100 -0.012 0.000 0.982 232 T CB 1.051 69.986 68.868 0.112 0.000 1.027 232 T HN -0.095 nan 8.240 nan 0.000 0.529 233 D N 0.898 121.297 120.400 -0.001 0.000 2.149 233 D HA -0.039 4.596 4.640 -0.008 0.000 0.198 233 D C 2.290 178.590 176.300 -0.000 0.000 0.990 233 D CA 1.617 55.616 54.000 -0.002 0.000 0.839 233 D CB -1.012 39.793 40.800 0.009 0.000 0.948 233 D HN 0.793 nan 8.370 nan 0.000 0.460 234 G N 0.413 109.229 108.800 0.026 0.000 2.459 234 G HA2 -0.268 3.687 3.960 -0.008 0.000 0.217 234 G HA3 -0.268 3.687 3.960 -0.008 0.000 0.217 234 G C 1.907 176.793 174.900 -0.023 0.000 1.183 234 G CA 1.137 46.265 45.100 0.046 0.000 0.776 234 G HN 0.245 nan 8.290 nan 0.000 0.552 235 S N 0.445 116.056 115.700 -0.148 0.000 2.370 235 S HA -0.104 4.361 4.470 -0.008 0.000 0.226 235 S C 2.297 176.520 174.600 -0.628 0.000 1.033 235 S CA 1.612 59.367 58.200 -0.742 0.000 1.011 235 S CB -0.205 62.482 63.200 -0.856 0.000 0.852 235 S HN 0.459 nan 8.310 nan 0.000 0.457 236 K N 1.288 121.535 120.400 -0.256 0.000 2.026 236 K HA -0.022 4.293 4.320 -0.008 0.000 0.208 236 K C 2.445 179.058 176.600 0.022 0.000 1.048 236 K CA 1.249 57.489 56.287 -0.078 0.000 0.929 236 K CB -0.352 32.128 32.500 -0.033 0.000 0.713 236 K HN 0.331 nan 8.250 nan 0.000 0.439 237 A N 1.074 123.916 122.820 0.035 0.000 1.902 237 A HA -0.161 4.154 4.320 -0.008 0.000 0.217 237 A C 2.263 179.965 177.584 0.197 0.000 1.181 237 A CA 2.068 54.161 52.037 0.094 0.000 0.623 237 A CB -1.022 18.019 19.000 0.069 0.000 0.818 237 A HN 0.263 nan 8.150 nan 0.000 0.443 238 T N 0.408 115.107 114.554 0.242 0.000 2.652 238 T HA -0.071 4.274 4.350 -0.008 0.000 0.267 238 T C 2.256 177.332 174.700 0.627 0.000 1.039 238 T CA 1.803 64.212 62.100 0.515 0.000 1.153 238 T CB -0.559 68.626 68.868 0.528 0.000 0.863 238 T HN 0.618 nan 8.240 nan 0.000 0.428 239 A N 1.632 124.750 122.820 0.497 0.000 1.883 239 A HA -0.211 4.105 4.320 -0.008 0.000 0.217 239 A C 2.129 179.936 177.584 0.371 0.000 1.186 239 A CA 2.286 54.641 52.037 0.530 0.000 0.624 239 A CB -1.006 18.266 19.000 0.454 0.000 0.822 239 A HN 0.524 nan 8.150 nan 0.000 0.444 240 D N -1.529 119.029 120.400 0.264 0.000 2.104 240 D HA -0.182 4.453 4.640 -0.008 0.000 0.194 240 D C 1.649 178.060 176.300 0.183 0.000 0.994 240 D CA 1.514 55.624 54.000 0.183 0.000 0.830 240 D CB -0.301 40.580 40.800 0.135 0.000 0.959 240 D HN 0.351 nan 8.370 nan 0.000 0.452 241 F N -0.045 119.937 119.950 0.054 0.000 2.043 241 F HA -0.244 4.277 4.527 -0.009 0.000 0.297 241 F C 1.953 177.720 175.800 -0.055 0.000 1.121 241 F CA 1.729 59.678 58.000 -0.084 0.000 1.199 241 F CB -0.794 38.055 39.000 -0.252 0.000 0.968 241 F HN 0.063 nan 8.300 nan 0.000 0.478 242 Y N -0.429 119.994 120.300 0.205 0.000 2.314 242 Y HA -0.199 4.347 4.550 -0.007 0.000 0.293 242 Y C 2.595 178.461 175.900 -0.056 0.000 1.129 242 Y CA 1.243 59.389 58.100 0.076 0.000 1.201 242 Y CB -0.695 37.962 38.460 0.327 0.000 0.999 242 Y HN 0.159 nan 8.280 nan 0.000 0.541 243 Q N 0.775 120.665 119.800 0.150 0.000 2.030 243 Q HA -0.247 4.088 4.340 -0.008 0.000 0.204 243 Q C 2.050 178.039 176.000 -0.019 0.000 0.986 243 Q CA 2.072 57.905 55.803 0.051 0.000 0.843 243 Q CB -0.287 28.502 28.738 0.085 0.000 0.904 243 Q HN 0.484 nan 8.270 nan 0.000 0.420 244 Q N -0.522 119.251 119.800 -0.044 0.000 2.135 244 Q HA -0.160 4.175 4.340 -0.008 0.000 0.204 244 Q C 2.197 178.123 176.000 -0.123 0.000 0.981 244 Q CA 1.470 57.223 55.803 -0.083 0.000 0.856 244 Q CB -0.172 28.510 28.738 -0.093 0.000 0.902 244 Q HN 0.409 nan 8.270 nan 0.000 0.425 245 L N 0.168 121.275 121.223 -0.193 0.000 2.027 245 L HA -0.204 4.131 4.340 -0.008 0.000 0.206 245 L C 2.333 179.160 176.870 -0.071 0.000 1.074 245 L CA 0.937 55.676 54.840 -0.168 0.000 0.745 245 L CB -0.365 41.548 42.059 -0.244 0.000 0.898 245 L HN 0.263 nan 8.230 nan 0.000 0.433 246 L N -0.575 120.601 121.223 -0.078 0.000 2.056 246 L HA -0.225 4.110 4.340 -0.008 0.000 0.207 246 L C 2.241 179.078 176.870 -0.054 0.000 1.078 246 L CA 1.089 55.876 54.840 -0.088 0.000 0.749 246 L CB -0.619 41.325 42.059 -0.191 0.000 0.901 246 L HN 0.271 nan 8.230 nan 0.000 0.433 247 D N 0.360 120.729 120.400 -0.052 0.000 2.149 247 D HA -0.152 4.483 4.640 -0.008 0.000 0.198 247 D C 1.955 178.237 176.300 -0.030 0.000 0.990 247 D CA 1.491 55.470 54.000 -0.035 0.000 0.839 247 D CB 0.018 40.799 40.800 -0.030 0.000 0.948 247 D HN 0.312 nan 8.370 nan 0.000 0.460 248 A N -0.075 122.722 122.820 -0.039 0.000 2.251 248 A HA 0.071 4.386 4.320 -0.008 0.000 0.209 248 A C 0.627 178.202 177.584 -0.014 0.000 1.187 248 A CA 0.019 52.033 52.037 -0.037 0.000 0.823 248 A CB -0.128 18.835 19.000 -0.062 0.000 0.846 248 A HN 0.033 nan 8.150 nan 0.000 0.486 249 K N -2.020 118.387 120.400 0.012 0.000 3.077 249 K HA -0.233 4.082 4.320 -0.008 0.000 0.264 249 K C 0.491 177.174 176.600 0.138 0.000 1.008 249 K CA 0.829 57.158 56.287 0.071 0.000 0.740 249 K CB -1.923 30.616 32.500 0.065 0.000 1.273 249 K HN 0.691 nan 8.250 nan 0.000 0.477 250 A N -0.916 121.966 122.820 0.104 0.000 2.538 250 A HA 0.678 4.994 4.320 -0.008 0.000 0.269 250 A C 0.269 178.005 177.584 0.254 0.000 1.231 250 A CA 0.454 52.551 52.037 0.100 0.000 0.948 250 A CB 0.602 19.574 19.000 -0.047 0.000 1.110 250 A HN 0.440 nan 8.150 nan 0.000 0.529 251 A N -0.087 122.913 122.820 0.300 0.000 2.449 251 A HA 0.662 4.977 4.320 -0.008 0.000 0.302 251 A C 0.230 177.881 177.584 0.112 0.000 1.048 251 A CA 0.065 52.286 52.037 0.307 0.000 0.708 251 A CB 0.315 19.484 19.000 0.281 0.000 1.274 251 A HN 0.717 nan 8.150 nan 0.000 0.410 252 T N -0.738 113.765 114.554 -0.086 0.000 2.855 252 T HA 0.391 4.736 4.350 -0.008 0.000 0.314 252 T C 0.875 175.601 174.700 0.043 0.000 1.077 252 T CA 0.760 62.704 62.100 -0.260 0.000 1.095 252 T CB 0.570 69.271 68.868 -0.278 0.000 0.987 252 T HN 1.430 nan 8.240 nan 0.000 0.546 253 T N -2.490 112.087 114.554 0.038 0.000 3.111 253 T HA 0.235 4.580 4.350 -0.008 0.000 0.284 253 T C 0.072 174.844 174.700 0.120 0.000 0.983 253 T CA -0.702 61.495 62.100 0.161 0.000 0.900 253 T CB -0.740 68.213 68.868 0.141 0.000 1.132 253 T HN 0.688 nan 8.240 nan 0.000 0.531 254 N N 3.652 122.406 118.700 0.090 0.000 2.454 254 N HA 0.275 5.010 4.740 -0.008 0.000 0.260 254 N C -2.864 172.711 175.510 0.108 0.000 1.218 254 N CA -1.104 52.008 53.050 0.104 0.000 0.904 254 N CB 0.325 38.883 38.487 0.117 0.000 1.065 254 N HN 0.203 nan 8.380 nan 0.000 0.462 255 P HA -0.009 nan 4.420 nan 0.000 0.265 255 P C 0.392 177.579 177.300 -0.189 0.000 1.193 255 P CA -0.235 62.824 63.100 -0.069 0.000 0.765 255 P CB 0.744 32.433 31.700 -0.019 0.000 0.823 256 R N 3.349 123.519 120.500 -0.549 0.000 2.119 256 R HA -0.167 4.168 4.340 -0.008 0.000 0.246 256 R C 0.959 176.600 176.300 -1.098 0.000 1.146 256 R CA 1.982 57.313 56.100 -1.281 0.000 0.962 256 R CB -1.055 28.274 30.300 -1.618 0.000 0.863 256 R HN 0.604 nan 8.270 nan 0.000 0.442 257 W N 0.278 121.483 121.300 -0.159 0.000 3.290 257 W HA 0.248 4.903 4.660 -0.009 0.000 0.287 257 W C -0.240 176.276 176.519 -0.005 0.000 1.288 257 W CA -0.907 56.397 57.345 -0.069 0.000 1.725 257 W CB 0.200 29.629 29.460 -0.051 0.000 1.103 257 W HN -0.069 nan 8.180 nan 0.000 0.670 258 D N 0.492 120.963 120.400 0.117 0.000 2.264 258 D HA 0.088 4.723 4.640 -0.008 0.000 0.249 258 D C -1.266 175.115 176.300 0.135 0.000 1.070 258 D CA -1.922 52.151 54.000 0.123 0.000 0.912 258 D CB 1.093 41.946 40.800 0.089 0.000 1.193 258 D HN -0.294 nan 8.370 nan 0.000 0.427 259 P HA -0.207 nan 4.420 nan 0.000 0.217 259 P C 1.222 178.568 177.300 0.076 0.000 1.148 259 P CA 1.445 64.597 63.100 0.086 0.000 0.834 259 P CB 0.096 31.831 31.700 0.059 0.000 0.783 260 S N -1.673 114.071 115.700 0.073 0.000 2.399 260 S HA -0.216 4.249 4.470 -0.008 0.000 0.231 260 S C 1.893 176.520 174.600 0.044 0.000 1.022 260 S CA 0.852 59.081 58.200 0.048 0.000 0.983 260 S CB -1.782 61.443 63.200 0.042 0.000 0.803 260 S HN 0.081 nan 8.310 nan 0.000 0.480 261 F N 3.327 123.252 119.950 -0.042 0.000 2.075 261 F HA -0.104 4.418 4.527 -0.008 0.000 0.297 261 F C 1.863 177.623 175.800 -0.067 0.000 1.113 261 F CA 2.124 60.085 58.000 -0.065 0.000 1.218 261 F CB -0.487 38.443 39.000 -0.118 0.000 0.984 261 F HN 0.103 nan 8.300 nan 0.000 0.472 262 D N 0.631 121.101 120.400 0.116 0.000 2.149 262 D HA -0.206 4.429 4.640 -0.008 0.000 0.198 262 D C 2.335 178.580 176.300 -0.092 0.000 0.990 262 D CA 1.454 55.446 54.000 -0.014 0.000 0.839 262 D CB -0.851 39.974 40.800 0.041 0.000 0.948 262 D HN 0.406 nan 8.370 nan 0.000 0.460 263 A N 0.931 123.719 122.820 -0.052 0.000 1.933 263 A HA -0.181 4.134 4.320 -0.008 0.000 0.218 263 A C 2.315 179.856 177.584 -0.072 0.000 1.175 263 A CA 2.303 54.314 52.037 -0.043 0.000 0.628 263 A CB -0.665 18.325 19.000 -0.017 0.000 0.814 263 A HN 0.341 nan 8.150 nan 0.000 0.444 264 S N -0.192 115.423 115.700 -0.142 0.000 2.423 264 S HA -0.068 4.397 4.470 -0.008 0.000 0.231 264 S C 1.788 176.322 174.600 -0.109 0.000 1.014 264 S CA 1.300 59.413 58.200 -0.146 0.000 0.965 264 S CB -0.657 62.397 63.200 -0.244 0.000 0.785 264 S HN 0.500 nan 8.310 nan 0.000 0.495 265 I N 1.413 121.873 120.570 -0.185 0.000 2.235 265 I HA -0.057 4.108 4.170 -0.008 0.000 0.241 265 I C 2.708 178.833 176.117 0.012 0.000 1.085 265 I CA 0.972 62.220 61.300 -0.087 0.000 1.378 265 I CB -0.314 37.471 38.000 -0.357 0.000 1.076 265 I HN 0.175 nan 8.210 nan 0.000 0.415 266 K N 1.059 121.438 120.400 -0.035 0.000 2.020 266 K HA -0.264 4.051 4.320 -0.008 0.000 0.212 266 K C 1.631 178.250 176.600 0.032 0.000 1.050 266 K CA 2.196 58.487 56.287 0.007 0.000 0.929 266 K CB -0.495 32.000 32.500 -0.008 0.000 0.714 266 K HN 0.468 nan 8.250 nan 0.000 0.443 267 D N -0.826 119.587 120.400 0.021 0.000 2.371 267 D HA -0.048 4.587 4.640 -0.008 0.000 0.221 267 D C 1.062 177.392 176.300 0.051 0.000 0.986 267 D CA 1.050 55.069 54.000 0.032 0.000 0.899 267 D CB -0.059 40.755 40.800 0.023 0.000 0.902 267 D HN 0.363 nan 8.370 nan 0.000 0.530 268 G N -0.300 108.545 108.800 0.076 0.000 2.148 268 G HA2 -0.359 3.596 3.960 -0.008 0.000 0.254 268 G HA3 -0.359 3.596 3.960 -0.008 0.000 0.254 268 G C 1.170 176.134 174.900 0.107 0.000 0.981 268 G CA 1.050 46.207 45.100 0.096 0.000 0.670 268 G HN 0.686 nan 8.290 nan 0.000 0.528 269 S N -1.185 114.589 115.700 0.123 0.000 2.388 269 S HA 0.343 4.808 4.470 -0.008 0.000 0.223 269 S C 1.141 175.910 174.600 0.281 0.000 1.034 269 S CA 0.889 59.203 58.200 0.189 0.000 0.963 269 S CB 0.181 63.523 63.200 0.237 0.000 0.827 269 S HN 1.105 nan 8.310 nan 0.000 0.481 270 L N 3.241 124.600 121.223 0.227 0.000 2.342 270 L HA 0.456 4.791 4.340 -0.008 0.000 0.285 270 L C 0.344 177.472 176.870 0.431 0.000 1.095 270 L CA -0.280 54.732 54.840 0.287 0.000 0.843 270 L CB 0.248 42.367 42.059 0.099 0.000 1.201 270 L HN 0.504 nan 8.230 nan 0.000 0.445 271 I N 1.539 122.355 120.570 0.411 0.000 4.154 271 I HA 0.635 4.800 4.170 -0.008 0.000 0.334 271 I C 0.578 177.013 176.117 0.530 0.000 1.371 271 I CA -0.114 61.388 61.300 0.338 0.000 1.110 271 I CB 0.271 38.385 38.000 0.190 0.000 1.085 271 I HN 0.570 nan 8.210 nan 0.000 0.398 272 G N 0.032 109.207 108.800 0.624 0.000 2.759 272 G HA2 0.561 4.516 3.960 -0.008 0.000 0.297 272 G HA3 0.561 4.516 3.960 -0.008 0.000 0.297 272 G C -1.452 173.733 174.900 0.474 0.000 1.434 272 G CA -0.288 45.145 45.100 0.555 0.000 0.980 272 G HN 0.011 nan 8.290 nan 0.000 0.531 273 T N -0.256 114.427 114.554 0.215 0.000 2.886 273 T HA 0.470 4.815 4.350 -0.008 0.000 0.330 273 T C -0.533 174.302 174.700 0.225 0.000 1.488 273 T CA -0.309 61.994 62.100 0.339 0.000 1.054 273 T CB 1.640 70.715 68.868 0.345 0.000 1.348 273 T HN 0.742 nan 8.240 nan 0.000 0.489 274 V N 2.843 123.015 119.914 0.431 0.000 2.740 274 V HA 0.610 4.725 4.120 -0.008 0.000 0.303 274 V C 0.758 176.763 176.094 -0.148 0.000 1.054 274 V CA 0.599 63.054 62.300 0.258 0.000 1.106 274 V CB 0.674 32.675 31.823 0.298 0.000 0.957 274 V HN 1.125 nan 8.190 nan 0.000 0.486 275 A N 3.879 126.434 122.820 -0.442 0.000 2.572 275 A HA 0.861 5.176 4.320 -0.008 0.000 0.295 275 A C -0.273 176.887 177.584 -0.708 0.000 1.072 275 A CA -0.239 51.345 52.037 -0.756 0.000 0.691 275 A CB 1.432 19.491 19.000 -1.567 0.000 1.291 275 A HN 1.399 nan 8.150 nan 0.000 0.404 276 A N 0.578 122.901 122.820 -0.828 0.000 2.425 276 A HA 0.550 4.865 4.320 -0.008 0.000 0.249 276 A C 1.483 178.466 177.584 -1.002 0.000 1.084 276 A CA 0.409 51.852 52.037 -0.990 0.000 0.781 276 A CB -0.063 17.956 19.000 -1.635 0.000 1.019 276 A HN 2.285 nan 8.150 nan 0.000 0.490 277 A N 2.454 124.777 122.820 -0.828 0.000 1.948 277 A HA -0.164 4.151 4.320 -0.008 0.000 0.220 277 A C 1.774 178.896 177.584 -0.769 0.000 1.177 277 A CA 1.793 53.199 52.037 -1.051 0.000 0.636 277 A CB -0.862 17.410 19.000 -1.214 0.000 0.815 277 A HN 1.212 nan 8.150 nan 0.000 0.449 278 W N -0.089 121.042 121.300 -0.281 0.000 2.721 278 W HA -0.012 4.643 4.660 -0.008 0.000 0.245 278 W C 0.798 177.301 176.519 -0.026 0.000 1.276 278 W CA 0.726 58.009 57.345 -0.103 0.000 1.342 278 W CB -0.717 28.722 29.460 -0.035 0.000 1.135 278 W HN 0.473 nan 8.180 nan 0.000 0.654 279 E N 1.066 121.186 120.200 -0.132 0.000 2.418 279 E HA -0.050 4.295 4.350 -0.008 0.000 0.197 279 E C 2.490 179.215 176.600 0.208 0.000 1.026 279 E CA 0.681 57.126 56.400 0.075 0.000 0.862 279 E CB -0.040 29.537 29.700 -0.205 0.000 0.799 279 E HN 0.279 nan 8.360 nan 0.000 0.518 280 A N 2.826 125.710 122.820 0.106 0.000 1.859 280 A HA -0.184 4.131 4.320 -0.008 0.000 0.218 280 A C -0.043 177.381 177.584 -0.266 0.000 1.209 280 A CA 1.701 53.682 52.037 -0.094 0.000 0.639 280 A CB -1.641 17.075 19.000 -0.473 0.000 0.835 280 A HN 0.201 nan 8.150 nan 0.000 0.450 281 P HA -0.120 nan 4.420 nan 0.000 0.218 281 P C 1.592 178.858 177.300 -0.056 0.000 1.149 281 P CA 1.133 64.074 63.100 -0.266 0.000 0.817 281 P CB -0.269 31.414 31.700 -0.028 0.000 0.785 282 L N -1.922 119.352 121.223 0.085 0.000 2.012 282 L HA -0.166 4.169 4.340 -0.008 0.000 0.210 282 L C 2.786 179.734 176.870 0.131 0.000 1.073 282 L CA 1.576 56.515 54.840 0.166 0.000 0.748 282 L CB -1.456 40.796 42.059 0.322 0.000 0.891 282 L HN -0.124 nan 8.230 nan 0.000 0.431 283 F N 0.671 120.630 119.950 0.015 0.000 2.126 283 F HA -0.255 4.267 4.527 -0.009 0.000 0.299 283 F C 2.596 178.228 175.800 -0.279 0.000 1.096 283 F CA 1.671 59.648 58.000 -0.037 0.000 1.255 283 F CB -0.167 38.896 39.000 0.105 0.000 0.997 283 F HN -0.067 nan 8.300 nan 0.000 0.479 284 M N -0.969 118.431 119.600 -0.333 0.000 2.117 284 M HA -0.220 4.255 4.480 -0.008 0.000 0.262 284 M C 2.024 178.030 176.300 -0.489 0.000 1.065 284 M CA 2.188 56.970 55.300 -0.862 0.000 1.114 284 M CB -0.761 31.277 32.600 -0.936 0.000 1.361 284 M HN 0.055 nan 8.290 nan 0.000 0.408 285 T N -0.046 114.357 114.554 -0.251 0.000 2.674 285 T HA -0.106 4.239 4.350 -0.008 0.000 0.265 285 T C 1.955 176.585 174.700 -0.117 0.000 1.039 285 T CA 1.760 63.784 62.100 -0.127 0.000 1.150 285 T CB -0.271 68.574 68.868 -0.038 0.000 0.864 285 T HN 0.323 nan 8.240 nan 0.000 0.427 286 S N 1.691 117.316 115.700 -0.125 0.000 2.402 286 S HA -0.150 4.315 4.470 -0.008 0.000 0.233 286 S C 2.391 176.871 174.600 -0.200 0.000 1.030 286 S CA 1.422 59.548 58.200 -0.124 0.000 1.003 286 S CB -0.463 62.676 63.200 -0.101 0.000 0.813 286 S HN 0.759 nan 8.310 nan 0.000 0.477 287 S N 0.658 116.180 115.700 -0.296 0.000 2.474 287 S HA 0.131 4.596 4.470 -0.008 0.000 0.235 287 S C 1.762 176.337 174.600 -0.041 0.000 0.997 287 S CA 1.007 59.090 58.200 -0.194 0.000 0.949 287 S CB -0.763 62.371 63.200 -0.110 0.000 0.766 287 S HN 0.799 nan 8.310 nan 0.000 0.517 288 G N 0.857 109.631 108.800 -0.043 0.000 2.186 288 G HA2 -0.033 3.922 3.960 -0.008 0.000 0.266 288 G HA3 -0.033 3.922 3.960 -0.008 0.000 0.266 288 G C 1.170 176.104 174.900 0.056 0.000 0.982 288 G CA 0.697 45.800 45.100 0.006 0.000 0.670 288 G HN 1.905 nan 8.290 nan 0.000 0.533 289 G N -2.788 106.081 108.800 0.115 0.000 2.201 289 G HA2 -0.045 3.910 3.960 -0.008 0.000 0.212 289 G HA3 -0.045 3.910 3.960 -0.008 0.000 0.212 289 G C 0.390 175.435 174.900 0.242 0.000 0.994 289 G CA 0.531 45.766 45.100 0.225 0.000 0.644 289 G HN 1.585 nan 8.290 nan 0.000 0.508 290 T N 1.038 115.712 114.554 0.201 0.000 2.902 290 T HA 0.453 4.798 4.350 -0.008 0.000 0.301 290 T C 1.643 176.528 174.700 0.308 0.000 1.012 290 T CA 1.676 63.889 62.100 0.189 0.000 1.151 290 T CB 0.913 69.876 68.868 0.159 0.000 0.946 290 T HN 1.947 nan 8.240 nan 0.000 0.542 291 G N 2.853 111.733 108.800 0.134 0.000 2.184 291 G HA2 -0.301 3.654 3.960 -0.008 0.000 0.264 291 G HA3 -0.301 3.654 3.960 -0.008 0.000 0.264 291 G C 0.460 175.242 174.900 -0.196 0.000 0.975 291 G CA 0.285 45.368 45.100 -0.028 0.000 0.642 291 G HN 1.026 nan 8.290 nan 0.000 0.536 292 S N 0.030 115.593 115.700 -0.228 0.000 2.575 292 S HA 0.448 4.913 4.470 -0.008 0.000 0.295 292 S C 1.810 176.223 174.600 -0.312 0.000 1.267 292 S CA 1.881 59.783 58.200 -0.496 0.000 1.074 292 S CB 0.238 63.398 63.200 -0.066 0.000 0.829 292 S HN 2.263 nan 8.310 nan 0.000 0.497 293 G N 4.088 112.666 108.800 -0.369 0.000 2.194 293 G HA2 -0.193 3.762 3.960 -0.008 0.000 0.236 293 G HA3 -0.193 3.762 3.960 -0.008 0.000 0.236 293 G C 0.411 175.189 174.900 -0.204 0.000 0.987 293 G CA 0.467 45.452 45.100 -0.191 0.000 0.635 293 G HN 0.692 nan 8.290 nan 0.000 0.520 294 E N -1.333 118.682 120.200 -0.309 0.000 2.434 294 E HA 0.191 4.537 4.350 -0.008 0.000 0.207 294 E C 0.600 176.939 176.600 -0.435 0.000 0.929 294 E CA -0.700 55.497 56.400 -0.340 0.000 1.001 294 E CB 0.384 29.853 29.700 -0.385 0.000 1.016 294 E HN 0.548 nan 8.360 nan 0.000 0.502 295 W N 2.326 123.349 121.300 -0.460 0.000 2.158 295 W HA 0.118 4.774 4.660 -0.008 0.000 0.339 295 W C 0.749 177.133 176.519 -0.224 0.000 1.294 295 W CA 0.208 57.301 57.345 -0.420 0.000 1.231 295 W CB 0.549 29.624 29.460 -0.641 0.000 1.143 295 W HN -0.106 nan 8.180 nan 0.000 0.571 296 Q N 0.735 120.528 119.800 -0.011 0.000 2.456 296 Q HA 0.516 4.851 4.340 -0.008 0.000 0.284 296 Q C -1.372 174.675 176.000 0.078 0.000 1.061 296 Q CA -1.100 54.663 55.803 -0.066 0.000 0.799 296 Q CB 2.316 30.756 28.738 -0.497 0.000 1.445 296 Q HN 0.237 nan 8.270 nan 0.000 0.411 297 V N 0.611 120.571 119.914 0.077 0.000 2.513 297 V HA 0.877 4.992 4.120 -0.008 0.000 0.299 297 V C -0.383 175.909 176.094 0.329 0.000 1.035 297 V CA -0.520 61.891 62.300 0.184 0.000 0.889 297 V CB 1.481 33.266 31.823 -0.063 0.000 0.988 297 V HN 0.857 nan 8.190 nan 0.000 0.440 298 A N 3.738 126.849 122.820 0.484 0.000 2.386 298 A HA 0.814 5.129 4.320 -0.008 0.000 0.308 298 A C -0.658 177.099 177.584 0.288 0.000 1.128 298 A CA -0.793 51.469 52.037 0.375 0.000 0.789 298 A CB 1.410 20.651 19.000 0.402 0.000 1.325 298 A HN 0.630 nan 8.150 nan 0.000 0.437 299 Q N 0.562 120.450 119.800 0.147 0.000 2.394 299 Q HA 0.269 4.604 4.340 -0.008 0.000 0.248 299 Q C -0.197 175.768 176.000 -0.058 0.000 0.992 299 Q CA -0.004 55.831 55.803 0.054 0.000 0.888 299 Q CB 0.483 29.217 28.738 -0.007 0.000 1.257 299 Q HN 0.612 nan 8.270 nan 0.000 0.462 300 L N 1.454 122.597 121.223 -0.135 0.000 2.578 300 L HA -0.008 4.327 4.340 -0.008 0.000 0.279 300 L C 1.231 177.600 176.870 -0.835 0.000 1.227 300 L CA 0.163 54.734 54.840 -0.449 0.000 0.900 300 L CB -0.274 41.626 42.059 -0.265 0.000 1.144 300 L HN 0.671 nan 8.230 nan 0.000 0.496 301 G N 1.435 109.126 108.800 -1.848 0.000 2.683 301 G HA2 -0.032 3.923 3.960 -0.008 0.000 0.260 301 G HA3 -0.032 3.923 3.960 -0.008 0.000 0.260 301 G C -0.011 174.002 174.900 -1.478 0.000 1.238 301 G CA -0.402 43.639 45.100 -1.764 0.000 0.934 301 G HN 0.745 nan 8.290 nan 0.000 0.534 302 D N -0.016 119.848 120.400 -0.893 0.000 2.801 302 D HA 0.090 4.725 4.640 -0.008 0.000 0.232 302 D C 0.495 176.525 176.300 -0.449 0.000 1.128 302 D CA -0.411 53.293 54.000 -0.492 0.000 1.003 302 D CB -0.237 40.422 40.800 -0.235 0.000 1.110 302 D HN 0.405 nan 8.370 nan 0.000 0.477 303 W N 0.229 121.084 121.300 -0.742 0.000 3.107 303 W HA 0.188 4.843 4.660 -0.009 0.000 0.293 303 W C 0.376 176.046 176.519 -1.415 0.000 1.239 303 W CA -0.336 56.175 57.345 -1.390 0.000 1.653 303 W CB -0.467 27.449 29.460 -2.574 0.000 1.068 303 W HN 0.197 nan 8.180 nan 0.000 0.615 304 F N 0.363 120.164 119.950 -0.249 0.000 2.764 304 F HA 0.481 5.003 4.527 -0.008 0.000 0.310 304 F C 1.599 177.361 175.800 -0.064 0.000 1.124 304 F CA -0.069 57.851 58.000 -0.133 0.000 1.252 304 F CB 0.012 38.951 39.000 -0.101 0.000 1.010 304 F HN -0.027 nan 8.300 nan 0.000 0.518 305 G N 1.630 110.444 108.800 0.022 0.000 2.198 305 G HA2 -0.380 3.575 3.960 -0.008 0.000 0.260 305 G HA3 -0.380 3.575 3.960 -0.008 0.000 0.260 305 G C 1.040 175.954 174.900 0.023 0.000 1.025 305 G CA 0.773 45.887 45.100 0.023 0.000 0.769 305 G HN 0.527 nan 8.290 nan 0.000 0.507 306 N N 0.196 118.905 118.700 0.015 0.000 2.424 306 N HA 0.290 5.026 4.740 -0.008 0.000 0.178 306 N C 1.341 176.829 175.510 -0.037 0.000 1.060 306 N CA 1.083 54.134 53.050 0.001 0.000 0.901 306 N CB -0.287 38.212 38.487 0.019 0.000 0.979 306 N HN 1.704 nan 8.380 nan 0.000 0.451 307 A N 0.579 123.366 122.820 -0.055 0.000 2.466 307 A HA 0.027 4.342 4.320 -0.008 0.000 0.295 307 A C 1.368 178.913 177.584 -0.064 0.000 1.465 307 A CA 1.389 53.392 52.037 -0.057 0.000 0.744 307 A CB -2.092 16.888 19.000 -0.034 0.000 1.098 307 A HN 1.356 nan 8.150 nan 0.000 0.402 308 G N -1.605 107.138 108.800 -0.094 0.000 2.179 308 G HA2 -0.261 3.694 3.960 -0.008 0.000 0.260 308 G HA3 -0.261 3.694 3.960 -0.008 0.000 0.260 308 G C 0.207 175.063 174.900 -0.074 0.000 0.977 308 G CA 1.081 46.128 45.100 -0.088 0.000 0.641 308 G HN 1.058 nan 8.290 nan 0.000 0.533 309 K N 0.089 120.449 120.400 -0.067 0.000 2.185 309 K HA 0.780 5.095 4.320 -0.008 0.000 0.240 309 K C 0.204 176.763 176.600 -0.069 0.000 0.983 309 K CA -0.134 56.120 56.287 -0.054 0.000 0.873 309 K CB 1.589 34.065 32.500 -0.040 0.000 1.118 309 K HN 0.174 nan 8.250 nan 0.000 0.441 310 T N -1.298 113.218 114.554 -0.063 0.000 2.841 310 T HA 0.780 5.125 4.350 -0.008 0.000 0.276 310 T C -0.580 174.070 174.700 -0.083 0.000 1.003 310 T CA -0.633 61.417 62.100 -0.083 0.000 0.995 310 T CB 1.463 70.286 68.868 -0.074 0.000 1.260 310 T HN 0.631 nan 8.240 nan 0.000 0.581 311 G N 1.118 109.851 108.800 -0.112 0.000 2.694 311 G HA2 0.701 4.656 3.960 -0.008 0.000 0.290 311 G HA3 0.701 4.656 3.960 -0.008 0.000 0.290 311 G C -3.152 171.683 174.900 -0.109 0.000 1.386 311 G CA -1.368 43.657 45.100 -0.124 0.000 0.872 311 G HN 0.583 nan 8.290 nan 0.000 0.475 312 P HA 0.298 nan 4.420 nan 0.000 0.285 312 P C -1.464 175.823 177.300 -0.022 0.000 1.259 312 P CA -0.094 63.002 63.100 -0.006 0.000 0.794 312 P CB 2.138 33.892 31.700 0.091 0.000 0.940 313 D N 2.121 122.548 120.400 0.044 0.000 2.402 313 D HA 0.440 5.075 4.640 -0.008 0.000 0.252 313 D C 0.651 177.150 176.300 0.333 0.000 1.294 313 D CA 0.157 54.216 54.000 0.098 0.000 0.948 313 D CB 0.692 41.479 40.800 -0.023 0.000 1.202 313 D HN 0.676 nan 8.370 nan 0.000 0.561 314 G N 2.378 111.324 108.800 0.243 0.000 2.569 314 G HA2 0.354 4.309 3.960 -0.008 0.000 0.259 314 G HA3 0.354 4.309 3.960 -0.008 0.000 0.259 314 G C 0.490 175.476 174.900 0.143 0.000 1.263 314 G CA 0.118 45.321 45.100 0.170 0.000 0.928 314 G HN 1.760 nan 8.290 nan 0.000 0.572 315 G N -2.646 106.141 108.800 -0.021 0.000 2.907 315 G HA2 0.518 4.473 3.960 -0.008 0.000 0.686 315 G HA3 0.518 4.473 3.960 -0.008 0.000 0.686 315 G C -0.433 174.076 174.900 -0.651 0.000 1.115 315 G CA 0.550 45.591 45.100 -0.099 0.000 0.760 315 G HN 2.160 nan 8.290 nan 0.000 0.620 316 S N -0.162 115.023 115.700 -0.859 0.000 2.564 316 S HA 0.966 5.431 4.470 -0.008 0.000 0.274 316 S C 0.440 174.559 174.600 -0.802 0.000 1.124 316 S CA 0.055 57.729 58.200 -0.876 0.000 0.869 316 S CB 1.981 64.921 63.200 -0.432 0.000 1.105 316 S HN 2.125 nan 8.310 nan 0.000 0.472 317 A N 1.051 123.557 122.820 -0.524 0.000 2.282 317 A HA 0.906 5.221 4.320 -0.008 0.000 0.324 317 A C -0.980 176.526 177.584 -0.131 0.000 1.119 317 A CA -0.678 51.251 52.037 -0.179 0.000 0.880 317 A CB 0.727 19.719 19.000 -0.013 0.000 1.294 317 A HN 0.622 nan 8.150 nan 0.000 0.493 318 V N 0.482 120.336 119.914 -0.100 0.000 2.448 318 V HA 0.636 4.752 4.120 -0.008 0.000 0.295 318 V C 0.407 176.460 176.094 -0.068 0.000 1.025 318 V CA -0.230 62.018 62.300 -0.087 0.000 0.859 318 V CB 0.995 32.712 31.823 -0.177 0.000 0.988 318 V HN 1.178 nan 8.190 nan 0.000 0.431 319 A N 4.494 127.299 122.820 -0.025 0.000 2.320 319 A HA 0.846 5.161 4.320 -0.008 0.000 0.334 319 A C -0.517 177.084 177.584 0.029 0.000 1.147 319 A CA -0.579 51.472 52.037 0.024 0.000 0.820 319 A CB 1.451 20.479 19.000 0.047 0.000 1.218 319 A HN 0.642 nan 8.150 nan 0.000 0.482 320 V N 3.031 122.985 119.914 0.066 0.000 2.432 320 V HA 0.252 4.367 4.120 -0.008 0.000 0.275 320 V C 0.230 176.380 176.094 0.093 0.000 1.043 320 V CA -0.079 62.261 62.300 0.066 0.000 0.925 320 V CB 0.670 32.537 31.823 0.073 0.000 0.985 320 V HN 0.715 nan 8.190 nan 0.000 0.466 321 L N 3.879 125.140 121.223 0.063 0.000 2.416 321 L HA 0.405 4.740 4.340 -0.008 0.000 0.262 321 L C 1.748 178.654 176.870 0.060 0.000 1.093 321 L CA -0.498 54.376 54.840 0.056 0.000 0.801 321 L CB 0.573 42.649 42.059 0.028 0.000 1.191 321 L HN 0.645 nan 8.230 nan 0.000 0.459 322 K N 1.535 121.965 120.400 0.051 0.000 2.077 322 K HA -0.225 4.090 4.320 -0.008 0.000 0.213 322 K C 0.907 177.528 176.600 0.035 0.000 1.051 322 K CA 2.460 58.776 56.287 0.047 0.000 0.929 322 K CB -0.019 32.491 32.500 0.017 0.000 0.715 322 K HN 0.648 nan 8.250 nan 0.000 0.451 323 N N 0.167 118.880 118.700 0.021 0.000 2.235 323 N HA 0.003 4.738 4.740 -0.008 0.000 0.209 323 N C -0.756 174.758 175.510 0.007 0.000 1.122 323 N CA -0.368 52.689 53.050 0.011 0.000 0.845 323 N CB 0.916 39.404 38.487 0.003 0.000 1.004 323 N HN 0.027 nan 8.380 nan 0.000 0.499 324 S N 1.082 116.791 115.700 0.016 0.000 2.544 324 S HA 0.007 4.473 4.470 -0.008 0.000 0.290 324 S C 1.290 175.873 174.600 -0.028 0.000 1.276 324 S CA -0.137 58.071 58.200 0.013 0.000 1.075 324 S CB 0.371 63.589 63.200 0.029 0.000 0.849 324 S HN 0.094 nan 8.310 nan 0.000 0.494 325 K N 3.274 123.626 120.400 -0.081 0.000 2.418 325 K HA 0.044 4.359 4.320 -0.008 0.000 0.195 325 K C 0.160 176.445 176.600 -0.525 0.000 1.035 325 K CA 0.752 56.872 56.287 -0.277 0.000 1.003 325 K CB -0.070 32.227 32.500 -0.339 0.000 0.793 325 K HN 0.694 nan 8.250 nan 0.000 0.494 326 H N 0.514 119.577 119.070 -0.011 0.000 2.471 326 H HA 0.163 4.714 4.556 -0.009 0.000 0.234 326 H C -1.806 173.470 175.328 -0.086 0.000 1.388 326 H CA -1.590 54.435 56.048 -0.038 0.000 1.198 326 H CB 0.985 30.729 29.762 -0.030 0.000 1.714 326 H HN -0.045 nan 8.280 nan 0.000 0.536 327 P HA -0.190 nan 4.420 nan 0.000 0.216 327 P C 1.786 178.819 177.300 -0.445 0.000 1.150 327 P CA 1.091 64.111 63.100 -0.134 0.000 0.837 327 P CB 0.806 32.511 31.700 0.007 0.000 0.786 328 K N 0.395 120.377 120.400 -0.697 0.000 2.009 328 K HA -0.192 4.123 4.320 -0.008 0.000 0.210 328 K C 2.014 178.459 176.600 -0.259 0.000 1.049 328 K CA 1.792 57.572 56.287 -0.845 0.000 0.929 328 K CB -0.194 32.015 32.500 -0.486 0.000 0.714 328 K HN -0.061 nan 8.250 nan 0.000 0.440 329 E N 0.066 120.210 120.200 -0.094 0.000 2.152 329 E HA -0.052 4.293 4.350 -0.008 0.000 0.192 329 E C 1.730 178.325 176.600 -0.007 0.000 0.983 329 E CA 0.983 57.386 56.400 0.003 0.000 0.818 329 E CB -0.132 29.585 29.700 0.028 0.000 0.758 329 E HN 0.433 nan 8.360 nan 0.000 0.467 330 A N 0.799 123.602 122.820 -0.029 0.000 1.908 330 A HA -0.191 4.124 4.320 -0.008 0.000 0.218 330 A C 2.047 179.605 177.584 -0.042 0.000 1.181 330 A CA 1.404 53.430 52.037 -0.020 0.000 0.627 330 A CB -0.301 18.688 19.000 -0.019 0.000 0.818 330 A HN 0.136 nan 8.150 nan 0.000 0.445 331 M N -1.165 118.396 119.600 -0.066 0.000 2.349 331 M HA -0.039 4.436 4.480 -0.008 0.000 0.266 331 M C 1.986 178.177 176.300 -0.181 0.000 1.076 331 M CA 1.597 56.866 55.300 -0.051 0.000 1.126 331 M CB -0.804 31.868 32.600 0.119 0.000 1.392 331 M HN 0.638 nan 8.290 nan 0.000 0.440 332 E N 0.940 121.093 120.200 -0.077 0.000 2.051 332 E HA -0.208 4.137 4.350 -0.008 0.000 0.192 332 E C 1.812 178.257 176.600 -0.257 0.000 0.991 332 E CA 1.540 57.889 56.400 -0.085 0.000 0.799 332 E CB -0.555 29.226 29.700 0.135 0.000 0.748 332 E HN 0.355 nan 8.360 nan 0.000 0.449 333 F N 0.585 120.234 119.950 -0.501 0.000 2.134 333 F HA -0.120 4.402 4.527 -0.009 0.000 0.299 333 F C 1.920 177.411 175.800 -0.515 0.000 1.097 333 F CA 1.442 58.810 58.000 -1.054 0.000 1.264 333 F CB -0.676 37.681 39.000 -1.071 0.000 1.001 333 F HN 0.228 nan 8.300 nan 0.000 0.479 334 L N 1.248 122.025 121.223 -0.744 0.000 2.042 334 L HA -0.200 4.135 4.340 -0.008 0.000 0.210 334 L C 2.054 178.668 176.870 -0.426 0.000 1.076 334 L CA 2.519 56.956 54.840 -0.673 0.000 0.749 334 L CB -1.362 40.474 42.059 -0.372 0.000 0.893 334 L HN 0.398 nan 8.230 nan 0.000 0.432 335 D N -1.896 118.257 120.400 -0.412 0.000 2.117 335 D HA -0.315 4.320 4.640 -0.008 0.000 0.197 335 D C 1.995 178.208 176.300 -0.145 0.000 0.987 335 D CA 1.557 55.394 54.000 -0.272 0.000 0.829 335 D CB -0.442 39.871 40.800 -0.812 0.000 0.961 335 D HN 0.490 nan 8.370 nan 0.000 0.460 336 W N -0.069 121.029 121.300 -0.336 0.000 2.335 336 W HA -0.204 4.451 4.660 -0.009 0.000 0.311 336 W C 1.949 178.338 176.519 -0.218 0.000 1.213 336 W CA 1.683 58.927 57.345 -0.169 0.000 1.274 336 W CB -0.792 28.676 29.460 0.013 0.000 1.148 336 W HN 0.070 nan 8.180 nan 0.000 0.498 337 F N 1.925 121.603 119.950 -0.454 0.000 2.134 337 F HA -0.235 4.287 4.527 -0.008 0.000 0.299 337 F C 1.929 177.479 175.800 -0.417 0.000 1.097 337 F CA 2.228 59.905 58.000 -0.539 0.000 1.264 337 F CB -0.753 37.807 39.000 -0.732 0.000 1.001 337 F HN -0.205 nan 8.300 nan 0.000 0.479 338 N N -0.501 118.112 118.700 -0.144 0.000 2.550 338 N HA -0.054 4.681 4.740 -0.008 0.000 0.186 338 N C 1.291 176.765 175.510 -0.060 0.000 1.110 338 N CA 1.362 54.406 53.050 -0.009 0.000 0.912 338 N CB -0.539 38.071 38.487 0.206 0.000 0.968 338 N HN 0.441 nan 8.380 nan 0.000 0.448 339 T N -2.915 111.489 114.554 -0.250 0.000 3.134 339 T HA 0.163 4.508 4.350 -0.008 0.000 0.260 339 T C 0.454 174.905 174.700 -0.416 0.000 1.027 339 T CA -0.288 61.634 62.100 -0.297 0.000 0.913 339 T CB 0.144 68.838 68.868 -0.291 0.000 1.046 339 T HN -0.179 nan 8.240 nan 0.000 0.553 340 Q N 1.968 121.417 119.800 -0.584 0.000 3.181 340 Q HA 0.296 4.631 4.340 -0.008 0.000 0.293 340 Q C 1.427 177.202 176.000 -0.376 0.000 1.406 340 Q CA -0.175 55.278 55.803 -0.584 0.000 1.026 340 Q CB 0.255 28.490 28.738 -0.837 0.000 1.630 340 Q HN 0.316 nan 8.270 nan 0.000 0.553 341 V N 2.289 122.047 119.914 -0.260 0.000 2.231 341 V HA -0.250 3.865 4.120 -0.008 0.000 0.248 341 V C -0.673 175.333 176.094 -0.147 0.000 1.054 341 V CA 2.102 64.300 62.300 -0.170 0.000 1.015 341 V CB -1.448 30.300 31.823 -0.125 0.000 0.638 341 V HN 0.422 nan 8.190 nan 0.000 0.444 342 P HA -0.113 nan 4.420 nan 0.000 0.216 342 P C 1.059 178.282 177.300 -0.130 0.000 1.150 342 P CA 1.500 64.520 63.100 -0.134 0.000 0.837 342 P CB -0.110 31.518 31.700 -0.119 0.000 0.786 343 D N -0.576 119.735 120.400 -0.149 0.000 2.097 343 D HA -0.112 4.523 4.640 -0.008 0.000 0.195 343 D C 2.098 178.328 176.300 -0.118 0.000 0.989 343 D CA 0.994 54.914 54.000 -0.134 0.000 0.827 343 D CB -0.853 39.834 40.800 -0.188 0.000 0.966 343 D HN 0.172 nan 8.370 nan 0.000 0.456 344 L N 0.350 121.473 121.223 -0.167 0.000 2.046 344 L HA -0.137 4.198 4.340 -0.008 0.000 0.208 344 L C 2.528 179.410 176.870 0.021 0.000 1.077 344 L CA 0.623 55.407 54.840 -0.092 0.000 0.747 344 L CB -0.393 41.595 42.059 -0.119 0.000 0.896 344 L HN -0.047 nan 8.230 nan 0.000 0.432 345 V N -0.008 119.904 119.914 -0.003 0.000 2.490 345 V HA -0.260 3.855 4.120 -0.008 0.000 0.250 345 V C 2.700 178.842 176.094 0.081 0.000 1.061 345 V CA 1.911 64.236 62.300 0.041 0.000 1.064 345 V CB -0.451 31.309 31.823 -0.104 0.000 0.670 345 V HN 0.649 nan 8.190 nan 0.000 0.461 346 S N -0.373 115.337 115.700 0.017 0.000 2.442 346 S HA -0.230 4.235 4.470 -0.008 0.000 0.236 346 S C 1.694 176.457 174.600 0.271 0.000 1.007 346 S CA 1.014 59.278 58.200 0.107 0.000 0.965 346 S CB -0.366 62.860 63.200 0.043 0.000 0.773 346 S HN 0.636 nan 8.310 nan 0.000 0.504 347 Q N 0.648 120.578 119.800 0.216 0.000 2.482 347 Q HA 0.189 4.524 4.340 -0.008 0.000 0.209 347 Q C 1.508 177.683 176.000 0.292 0.000 0.961 347 Q CA 0.653 56.586 55.803 0.217 0.000 0.945 347 Q CB -0.137 28.683 28.738 0.136 0.000 1.012 347 Q HN 0.859 nan 8.270 nan 0.000 0.515 348 G N 0.812 109.894 108.800 0.469 0.000 2.179 348 G HA2 -0.265 3.690 3.960 -0.008 0.000 0.260 348 G HA3 -0.265 3.690 3.960 -0.008 0.000 0.260 348 G C 0.198 175.364 174.900 0.443 0.000 0.977 348 G CA -0.027 45.379 45.100 0.510 0.000 0.641 348 G HN 0.303 nan 8.290 nan 0.000 0.533 349 L N 0.651 122.076 121.223 0.336 0.000 2.426 349 L HA 0.417 4.752 4.340 -0.008 0.000 0.271 349 L C 0.767 177.797 176.870 0.267 0.000 1.169 349 L CA -0.558 54.433 54.840 0.252 0.000 0.836 349 L CB 1.260 43.409 42.059 0.151 0.000 1.112 349 L HN -0.061 nan 8.230 nan 0.000 0.465 350 V N 3.981 124.036 119.914 0.234 0.000 2.288 350 V HA 0.227 4.343 4.120 -0.008 0.000 0.266 350 V C -2.096 174.106 176.094 0.179 0.000 1.048 350 V CA -1.619 60.814 62.300 0.222 0.000 0.842 350 V CB 0.776 32.716 31.823 0.195 0.000 1.064 350 V HN 0.614 nan 8.190 nan 0.000 0.472 351 P HA 0.164 nan 4.420 nan 0.000 0.271 351 P C 0.680 178.080 177.300 0.165 0.000 1.216 351 P CA -0.004 63.175 63.100 0.132 0.000 0.776 351 P CB 1.084 32.829 31.700 0.075 0.000 0.881 352 A N 3.378 126.329 122.820 0.217 0.000 2.066 352 A HA 0.152 4.467 4.320 -0.008 0.000 0.218 352 A C 1.153 178.937 177.584 0.334 0.000 1.157 352 A CA 0.905 53.111 52.037 0.281 0.000 0.670 352 A CB -1.116 18.073 19.000 0.315 0.000 0.804 352 A HN 0.632 nan 8.150 nan 0.000 0.453 353 A N 0.418 123.411 122.820 0.289 0.000 2.565 353 A HA 0.319 4.634 4.320 -0.008 0.000 0.237 353 A C 1.213 178.779 177.584 -0.029 0.000 1.053 353 A CA 0.907 52.953 52.037 0.015 0.000 0.755 353 A CB -0.142 18.813 19.000 -0.076 0.000 0.980 353 A HN 0.839 nan 8.150 nan 0.000 0.506 354 T N -1.281 113.201 114.554 -0.119 0.000 3.085 354 T HA 0.085 4.430 4.350 -0.008 0.000 0.264 354 T C 1.239 175.877 174.700 -0.104 0.000 1.019 354 T CA 0.554 62.609 62.100 -0.075 0.000 0.910 354 T CB -0.476 68.363 68.868 -0.049 0.000 1.059 354 T HN 0.864 nan 8.240 nan 0.000 0.542 355 T N 0.295 114.758 114.554 -0.153 0.000 2.962 355 T HA 0.030 4.375 4.350 -0.008 0.000 0.270 355 T C 0.535 175.179 174.700 -0.093 0.000 1.088 355 T CA 0.731 62.751 62.100 -0.134 0.000 1.127 355 T CB -0.421 68.343 68.868 -0.174 0.000 0.883 355 T HN 0.855 nan 8.240 nan 0.000 0.493 356 E N -0.274 119.876 120.200 -0.084 0.000 2.407 356 E HA 0.369 4.714 4.350 -0.008 0.000 0.279 356 E C -2.104 174.466 176.600 -0.050 0.000 1.012 356 E CA -1.176 55.187 56.400 -0.063 0.000 0.800 356 E CB 0.687 30.345 29.700 -0.069 0.000 1.276 356 E HN -0.105 nan 8.360 nan 0.000 0.452 357 D N 1.012 121.389 120.400 -0.038 0.000 2.390 357 D HA 0.313 4.948 4.640 -0.008 0.000 0.249 357 D C -0.139 176.142 176.300 -0.032 0.000 1.144 357 D CA 0.096 54.081 54.000 -0.025 0.000 0.880 357 D CB 1.329 42.116 40.800 -0.021 0.000 1.182 357 D HN 0.591 nan 8.370 nan 0.000 0.451 358 A N 3.117 125.928 122.820 -0.015 0.000 2.462 358 A HA 0.245 4.560 4.320 -0.008 0.000 0.243 358 A C 0.336 177.898 177.584 -0.036 0.000 1.076 358 A CA -0.072 51.953 52.037 -0.020 0.000 0.773 358 A CB 0.400 19.419 19.000 0.032 0.000 1.010 358 A HN 0.543 nan 8.150 nan 0.000 0.493 359 E N 0.522 120.674 120.200 -0.079 0.000 2.312 359 E HA 0.369 4.714 4.350 -0.008 0.000 0.267 359 E C -0.984 175.513 176.600 -0.172 0.000 0.894 359 E CA -0.841 55.500 56.400 -0.099 0.000 0.773 359 E CB 1.757 31.400 29.700 -0.094 0.000 1.241 359 E HN 0.564 nan 8.360 nan 0.000 0.432 360 T N 3.887 118.351 114.554 -0.149 0.000 2.784 360 T HA 0.129 4.474 4.350 -0.008 0.000 0.291 360 T C -2.249 172.280 174.700 -0.286 0.000 0.942 360 T CA -1.009 60.974 62.100 -0.195 0.000 1.161 360 T CB -0.102 68.730 68.868 -0.060 0.000 0.885 360 T HN 0.137 nan 8.240 nan 0.000 0.534 361 P HA 0.040 nan 4.420 nan 0.000 0.264 361 P C 1.059 178.252 177.300 -0.179 0.000 1.193 361 P CA -0.101 62.708 63.100 -0.486 0.000 0.763 361 P CB 0.509 31.666 31.700 -0.906 0.000 0.810 362 S N 2.476 118.129 115.700 -0.078 0.000 2.389 362 S HA -0.319 4.147 4.470 -0.008 0.000 0.231 362 S C 1.452 176.117 174.600 0.109 0.000 1.052 362 S CA 1.841 60.053 58.200 0.020 0.000 1.053 362 S CB -0.956 62.253 63.200 0.015 0.000 0.886 362 S HN 0.422 nan 8.310 nan 0.000 0.456 363 E N 0.882 121.160 120.200 0.131 0.000 2.085 363 E HA -0.085 4.260 4.350 -0.008 0.000 0.194 363 E C 1.704 178.568 176.600 0.440 0.000 0.994 363 E CA 1.583 58.138 56.400 0.258 0.000 0.801 363 E CB -0.476 29.392 29.700 0.280 0.000 0.743 363 E HN 0.753 nan 8.360 nan 0.000 0.453 364 W N 0.807 122.205 121.300 0.164 0.000 2.379 364 W HA -0.046 4.609 4.660 -0.008 0.000 0.307 364 W C 2.674 179.391 176.519 0.331 0.000 1.200 364 W CA 1.271 58.783 57.345 0.278 0.000 1.297 364 W CB -1.536 28.046 29.460 0.203 0.000 1.140 364 W HN 0.135 nan 8.180 nan 0.000 0.507 365 S N -0.935 115.012 115.700 0.412 0.000 2.382 365 S HA -0.177 4.288 4.470 -0.008 0.000 0.228 365 S C 1.716 176.463 174.600 0.246 0.000 1.027 365 S CA 1.841 60.206 58.200 0.275 0.000 0.991 365 S CB -1.191 62.093 63.200 0.141 0.000 0.823 365 S HN 0.184 nan 8.310 nan 0.000 0.469 366 T N 1.950 116.643 114.554 0.231 0.000 2.622 366 T HA -0.061 4.284 4.350 -0.008 0.000 0.266 366 T C 1.288 176.093 174.700 0.176 0.000 1.047 366 T CA 1.620 63.824 62.100 0.174 0.000 1.159 366 T CB -0.691 68.276 68.868 0.165 0.000 0.863 366 T HN 0.426 nan 8.240 nan 0.000 0.422 367 F N 1.076 121.080 119.950 0.089 0.000 2.091 367 F HA -0.060 4.463 4.527 -0.008 0.000 0.299 367 F C 0.942 176.663 175.800 -0.131 0.000 1.103 367 F CA 1.194 59.165 58.000 -0.049 0.000 1.228 367 F CB -0.361 38.548 39.000 -0.152 0.000 0.984 367 F HN 0.110 nan 8.300 nan 0.000 0.477 368 F N 1.033 121.089 119.950 0.176 0.000 2.913 368 F HA 0.310 4.832 4.527 -0.009 0.000 0.306 368 F C 1.373 177.164 175.800 -0.015 0.000 1.205 368 F CA 0.186 58.222 58.000 0.059 0.000 1.359 368 F CB -0.404 38.632 39.000 0.060 0.000 1.260 368 F HN 0.137 nan 8.300 nan 0.000 0.545 369 G N 0.423 109.245 108.800 0.036 0.000 2.341 369 G HA2 -0.110 3.845 3.960 -0.008 0.000 0.292 369 G HA3 -0.110 3.845 3.960 -0.008 0.000 0.292 369 G C 1.279 176.202 174.900 0.038 0.000 1.021 369 G CA 0.435 45.535 45.100 0.002 0.000 0.905 369 G HN 1.283 nan 8.290 nan 0.000 0.508 370 G N -1.748 107.096 108.800 0.074 0.000 2.179 370 G HA2 -0.282 3.673 3.960 -0.008 0.000 0.260 370 G HA3 -0.282 3.673 3.960 -0.008 0.000 0.260 370 G C 0.363 175.300 174.900 0.063 0.000 0.977 370 G CA 1.246 46.385 45.100 0.064 0.000 0.641 370 G HN 1.415 nan 8.290 nan 0.000 0.533 371 Q N 0.522 120.371 119.800 0.083 0.000 2.293 371 Q HA 0.399 4.734 4.340 -0.008 0.000 0.251 371 Q C -0.542 175.465 176.000 0.011 0.000 0.930 371 Q CA -0.449 55.378 55.803 0.040 0.000 0.893 371 Q CB 0.611 29.370 28.738 0.034 0.000 1.215 371 Q HN 0.143 nan 8.270 nan 0.000 0.425 372 D N 4.603 124.986 120.400 -0.028 0.000 2.551 372 D HA 0.020 4.655 4.640 -0.008 0.000 0.223 372 D C 1.144 177.350 176.300 -0.156 0.000 1.144 372 D CA -0.176 53.786 54.000 -0.062 0.000 1.025 372 D CB -0.265 40.509 40.800 -0.044 0.000 1.085 372 D HN 0.660 nan 8.370 nan 0.000 0.506 373 I N -0.064 120.355 120.570 -0.252 0.000 2.493 373 I HA -0.158 4.007 4.170 -0.008 0.000 0.254 373 I C 1.803 177.414 176.117 -0.843 0.000 1.160 373 I CA 0.600 61.543 61.300 -0.595 0.000 1.445 373 I CB -0.283 37.206 38.000 -0.852 0.000 1.086 373 I HN 0.199 nan 8.210 nan 0.000 0.433 374 M N 2.104 121.437 119.600 -0.446 0.000 2.159 374 M HA -0.188 4.287 4.480 -0.008 0.000 0.263 374 M C 2.225 178.453 176.300 -0.121 0.000 1.063 374 M CA 1.893 57.055 55.300 -0.231 0.000 1.110 374 M CB -0.593 31.985 32.600 -0.037 0.000 1.374 374 M HN 0.310 nan 8.290 nan 0.000 0.411 375 K N -0.331 119.998 120.400 -0.119 0.000 2.032 375 K HA -0.204 4.111 4.320 -0.008 0.000 0.209 375 K C 1.744 178.327 176.600 -0.027 0.000 1.048 375 K CA 1.760 58.018 56.287 -0.049 0.000 0.927 375 K CB -0.177 32.297 32.500 -0.043 0.000 0.712 375 K HN 0.331 nan 8.250 nan 0.000 0.441 376 E N 0.162 120.303 120.200 -0.098 0.000 2.085 376 E HA -0.181 4.164 4.350 -0.008 0.000 0.194 376 E C 2.026 178.730 176.600 0.174 0.000 0.994 376 E CA 1.099 57.495 56.400 -0.006 0.000 0.801 376 E CB -0.291 29.377 29.700 -0.055 0.000 0.743 376 E HN 0.337 nan 8.360 nan 0.000 0.453 377 F N 1.791 121.769 119.950 0.045 0.000 2.126 377 F HA -0.155 4.367 4.527 -0.007 0.000 0.299 377 F C 2.194 178.028 175.800 0.055 0.000 1.096 377 F CA 0.905 58.940 58.000 0.058 0.000 1.255 377 F CB -0.780 38.272 39.000 0.088 0.000 0.997 377 F HN -0.039 nan 8.300 nan 0.000 0.479 378 K N -0.215 120.328 120.400 0.238 0.000 2.097 378 K HA -0.056 4.259 4.320 -0.008 0.000 0.205 378 K C 2.033 178.696 176.600 0.105 0.000 1.050 378 K CA 1.356 57.730 56.287 0.145 0.000 0.938 378 K CB -1.452 31.107 32.500 0.099 0.000 0.718 378 K HN 0.210 nan 8.250 nan 0.000 0.442 379 T N 1.759 116.369 114.554 0.092 0.000 2.684 379 T HA -0.147 4.198 4.350 -0.008 0.000 0.267 379 T C 1.988 176.728 174.700 0.068 0.000 1.036 379 T CA 1.757 63.897 62.100 0.065 0.000 1.148 379 T CB -0.280 68.620 68.868 0.053 0.000 0.863 379 T HN 0.359 nan 8.240 nan 0.000 0.436 380 A N 2.096 124.975 122.820 0.099 0.000 1.877 380 A HA -0.170 4.145 4.320 -0.008 0.000 0.216 380 A C 2.259 179.877 177.584 0.058 0.000 1.186 380 A CA 1.790 53.873 52.037 0.077 0.000 0.620 380 A CB -0.919 18.148 19.000 0.111 0.000 0.822 380 A HN 0.581 nan 8.150 nan 0.000 0.443 381 N N 0.260 119.009 118.700 0.083 0.000 2.061 381 N HA -0.218 4.517 4.740 -0.008 0.000 0.193 381 N C 1.067 176.608 175.510 0.051 0.000 1.030 381 N CA 1.825 54.919 53.050 0.072 0.000 0.856 381 N CB -0.301 38.245 38.487 0.098 0.000 1.023 381 N HN 0.435 nan 8.380 nan 0.000 0.424 382 N N 1.054 119.784 118.700 0.050 0.000 2.459 382 N HA -0.042 4.693 4.740 -0.008 0.000 0.181 382 N C 0.290 175.811 175.510 0.019 0.000 1.046 382 N CA 0.564 53.634 53.050 0.033 0.000 0.904 382 N CB -0.276 38.230 38.487 0.033 0.000 0.964 382 N HN 0.336 nan 8.380 nan 0.000 0.444 383 N N 0.164 118.874 118.700 0.016 0.000 2.235 383 N HA 0.081 4.816 4.740 -0.008 0.000 0.209 383 N C -0.150 175.355 175.510 -0.007 0.000 1.122 383 N CA -0.048 53.002 53.050 0.000 0.000 0.845 383 N CB 0.554 39.036 38.487 -0.007 0.000 1.004 383 N HN 0.282 nan 8.380 nan 0.000 0.499 384 M N 1.006 120.606 119.600 0.001 0.000 2.146 384 M HA 0.291 4.766 4.480 -0.008 0.000 0.357 384 M C 0.479 176.776 176.300 -0.006 0.000 1.261 384 M CA -0.480 54.817 55.300 -0.006 0.000 1.106 384 M CB 0.849 33.454 32.600 0.009 0.000 1.612 384 M HN 0.025 nan 8.290 nan 0.000 0.470 385 G N 3.728 112.519 108.800 -0.014 0.000 2.432 385 G HA2 0.079 4.034 3.960 -0.008 0.000 0.239 385 G HA3 0.079 4.034 3.960 -0.008 0.000 0.239 385 G C -0.577 174.331 174.900 0.013 0.000 1.291 385 G CA -0.587 44.511 45.100 -0.004 0.000 0.863 385 G HN 0.725 nan 8.290 nan 0.000 0.560 386 D N 0.033 120.438 120.400 0.008 0.000 2.399 386 D HA 0.282 4.917 4.640 -0.008 0.000 0.241 386 D C -0.723 175.597 176.300 0.034 0.000 1.133 386 D CA 0.718 54.724 54.000 0.009 0.000 0.890 386 D CB 1.321 42.107 40.800 -0.023 0.000 1.201 386 D HN 0.181 nan 8.370 nan 0.000 0.432 387 F N 0.852 120.696 119.950 -0.178 0.000 2.730 387 F HA 0.130 4.651 4.527 -0.009 0.000 0.335 387 F C -0.372 175.197 175.800 -0.385 0.000 1.212 387 F CA -0.511 57.284 58.000 -0.341 0.000 1.016 387 F CB 1.281 39.973 39.000 -0.513 0.000 1.290 387 F HN -0.008 nan 8.300 nan 0.000 0.495 388 T N 5.407 119.670 114.554 -0.486 0.000 2.814 388 T HA 0.190 4.535 4.350 -0.008 0.000 0.297 388 T C -0.909 173.601 174.700 -0.317 0.000 0.956 388 T CA 0.448 62.411 62.100 -0.228 0.000 1.123 388 T CB 0.041 68.871 68.868 -0.063 0.000 0.902 388 T HN 0.341 nan 8.240 nan 0.000 0.528 389 Y N 3.401 123.712 120.300 0.019 0.000 2.328 389 Y HA 0.382 4.927 4.550 -0.008 0.000 0.337 389 Y C 0.917 176.658 175.900 -0.266 0.000 1.008 389 Y CA -1.500 56.536 58.100 -0.107 0.000 1.129 389 Y CB 0.636 38.965 38.460 -0.219 0.000 1.185 389 Y HN 0.597 nan 8.280 nan 0.000 0.476 390 M N 4.012 123.245 119.600 -0.612 0.000 2.252 390 M HA 0.309 4.785 4.480 -0.008 0.000 0.333 390 M C -2.580 173.393 176.300 -0.544 0.000 1.111 390 M CA -1.634 53.076 55.300 -0.983 0.000 1.140 390 M CB -0.151 31.550 32.600 -1.498 0.000 1.538 390 M HN 0.253 nan 8.290 nan 0.000 0.448 391 P HA 0.124 nan 4.420 nan 0.000 0.268 391 P C 0.838 177.656 177.300 -0.803 0.000 1.204 391 P CA 0.895 63.715 63.100 -0.467 0.000 0.768 391 P CB 0.718 32.188 31.700 -0.383 0.000 0.842 392 G N 2.348 110.817 108.800 -0.551 0.000 2.176 392 G HA2 -0.355 3.600 3.960 -0.008 0.000 0.253 392 G HA3 -0.355 3.600 3.960 -0.008 0.000 0.253 392 G C 0.582 175.382 174.900 -0.167 0.000 0.979 392 G CA 0.121 44.979 45.100 -0.404 0.000 0.641 392 G HN 0.483 nan 8.290 nan 0.000 0.530 393 F N 2.840 122.649 119.950 -0.235 0.000 2.287 393 F HA -0.117 4.406 4.527 -0.006 0.000 0.301 393 F C 2.626 178.412 175.800 -0.023 0.000 1.069 393 F CA 2.441 60.384 58.000 -0.096 0.000 1.372 393 F CB -0.161 38.849 39.000 0.016 0.000 1.056 393 F HN 0.471 nan 8.300 nan 0.000 0.523 394 S N 0.289 115.962 115.700 -0.045 0.000 2.383 394 S HA -0.229 4.236 4.470 -0.008 0.000 0.229 394 S C 2.274 176.776 174.600 -0.164 0.000 1.030 394 S CA 0.967 59.108 58.200 -0.098 0.000 1.002 394 S CB -1.201 61.982 63.200 -0.029 0.000 0.829 394 S HN 0.424 nan 8.310 nan 0.000 0.467 395 A N 1.258 123.999 122.820 -0.132 0.000 1.969 395 A HA 0.152 4.467 4.320 -0.008 0.000 0.218 395 A C 2.378 179.857 177.584 -0.175 0.000 1.169 395 A CA 1.364 53.334 52.037 -0.111 0.000 0.635 395 A CB -0.901 18.071 19.000 -0.046 0.000 0.810 395 A HN 0.470 nan 8.150 nan 0.000 0.445 396 V N -0.133 119.605 119.914 -0.294 0.000 2.358 396 V HA -0.214 3.901 4.120 -0.008 0.000 0.246 396 V C 3.031 178.892 176.094 -0.387 0.000 1.047 396 V CA 1.831 63.941 62.300 -0.318 0.000 1.035 396 V CB -1.263 30.366 31.823 -0.323 0.000 0.658 396 V HN 0.586 nan 8.190 nan 0.000 0.452 397 A N 0.165 122.610 122.820 -0.626 0.000 1.902 397 A HA -0.098 4.217 4.320 -0.008 0.000 0.217 397 A C 2.426 179.903 177.584 -0.178 0.000 1.181 397 A CA 2.101 53.908 52.037 -0.383 0.000 0.623 397 A CB -0.809 18.003 19.000 -0.314 0.000 0.818 397 A HN 0.560 nan 8.150 nan 0.000 0.443 398 A N -0.362 122.365 122.820 -0.156 0.000 1.902 398 A HA -0.136 4.179 4.320 -0.008 0.000 0.217 398 A C 2.076 179.613 177.584 -0.078 0.000 1.181 398 A CA 2.304 54.287 52.037 -0.090 0.000 0.623 398 A CB -0.389 18.568 19.000 -0.071 0.000 0.818 398 A HN 0.438 nan 8.150 nan 0.000 0.443 399 K N -0.327 120.020 120.400 -0.089 0.000 2.057 399 K HA 0.004 4.319 4.320 -0.008 0.000 0.207 399 K C 1.931 178.486 176.600 -0.075 0.000 1.049 399 K CA 1.824 58.069 56.287 -0.070 0.000 0.931 399 K CB -0.414 32.047 32.500 -0.065 0.000 0.714 399 K HN 0.483 nan 8.250 nan 0.000 0.440 400 M N 0.475 120.019 119.600 -0.093 0.000 2.213 400 M HA -0.154 4.321 4.480 -0.008 0.000 0.263 400 M C 1.385 177.626 176.300 -0.098 0.000 1.062 400 M CA 1.323 56.561 55.300 -0.103 0.000 1.105 400 M CB -0.301 32.250 32.600 -0.082 0.000 1.385 400 M HN 0.139 nan 8.290 nan 0.000 0.417 401 N N 0.131 118.782 118.700 -0.082 0.000 2.188 401 N HA -0.151 4.584 4.740 -0.008 0.000 0.184 401 N C 1.521 176.998 175.510 -0.054 0.000 1.018 401 N CA 1.074 54.079 53.050 -0.075 0.000 0.858 401 N CB -0.272 38.184 38.487 -0.053 0.000 0.989 401 N HN 0.470 nan 8.380 nan 0.000 0.426 402 E N 0.228 120.402 120.200 -0.043 0.000 2.028 402 E HA -0.087 4.258 4.350 -0.008 0.000 0.190 402 E C 1.200 177.790 176.600 -0.017 0.000 0.984 402 E CA 1.305 57.690 56.400 -0.025 0.000 0.800 402 E CB 0.082 29.767 29.700 -0.025 0.000 0.758 402 E HN 0.218 nan 8.360 nan 0.000 0.448 403 T N 0.933 115.470 114.554 -0.028 0.000 2.788 403 T HA -0.130 4.215 4.350 -0.008 0.000 0.268 403 T C 1.848 176.553 174.700 0.009 0.000 1.044 403 T CA 1.146 63.236 62.100 -0.017 0.000 1.139 403 T CB -0.280 68.564 68.868 -0.039 0.000 0.867 403 T HN 0.304 nan 8.240 nan 0.000 0.454 404 A N 1.669 124.485 122.820 -0.006 0.000 1.883 404 A HA 0.085 4.400 4.320 -0.008 0.000 0.217 404 A C 2.673 180.351 177.584 0.156 0.000 1.186 404 A CA 1.886 53.962 52.037 0.065 0.000 0.624 404 A CB -1.176 17.759 19.000 -0.108 0.000 0.822 404 A HN 0.520 nan 8.150 nan 0.000 0.444 405 A N -0.830 122.029 122.820 0.064 0.000 2.019 405 A HA -0.123 4.193 4.320 -0.008 0.000 0.219 405 A C 1.922 179.563 177.584 0.095 0.000 1.164 405 A CA 2.051 54.139 52.037 0.086 0.000 0.644 405 A CB -0.308 18.712 19.000 0.033 0.000 0.805 405 A HN 0.336 nan 8.150 nan 0.000 0.449 406 K N 0.043 120.486 120.400 0.071 0.000 2.288 406 K HA 0.151 4.466 4.320 -0.008 0.000 0.201 406 K C 1.809 178.440 176.600 0.052 0.000 1.048 406 K CA 1.045 57.362 56.287 0.051 0.000 0.956 406 K CB -0.641 31.879 32.500 0.033 0.000 0.746 406 K HN 0.439 nan 8.250 nan 0.000 0.461 407 A N 0.393 123.259 122.820 0.077 0.000 2.123 407 A HA -0.067 4.248 4.320 -0.008 0.000 0.214 407 A C 2.015 179.582 177.584 -0.028 0.000 1.152 407 A CA 1.503 53.551 52.037 0.020 0.000 0.728 407 A CB -0.796 18.206 19.000 0.004 0.000 0.814 407 A HN 0.439 nan 8.150 nan 0.000 0.464 408 T N -0.657 113.923 114.554 0.042 0.000 2.821 408 T HA -0.166 4.179 4.350 -0.008 0.000 0.267 408 T C 1.219 175.923 174.700 0.006 0.000 1.046 408 T CA 1.479 63.596 62.100 0.028 0.000 1.139 408 T CB -0.419 68.517 68.868 0.113 0.000 0.871 408 T HN 0.581 nan 8.240 nan 0.000 0.454 409 D N 0.820 121.229 120.400 0.016 0.000 2.340 409 D HA 0.257 4.892 4.640 -0.008 0.000 0.217 409 D C 1.527 177.829 176.300 0.003 0.000 1.081 409 D CA 0.348 54.354 54.000 0.011 0.000 0.842 409 D CB -0.711 40.099 40.800 0.017 0.000 0.934 409 D HN 0.629 nan 8.370 nan 0.000 0.511 410 G N 0.395 109.192 108.800 -0.005 0.000 2.143 410 G HA2 -0.349 3.606 3.960 -0.008 0.000 0.248 410 G HA3 -0.349 3.606 3.960 -0.008 0.000 0.248 410 G C 1.088 175.990 174.900 0.004 0.000 0.991 410 G CA 0.837 45.933 45.100 -0.007 0.000 0.689 410 G HN 0.635 nan 8.290 nan 0.000 0.522 411 S N -1.120 114.585 115.700 0.010 0.000 2.446 411 S HA 0.472 4.937 4.470 -0.008 0.000 0.225 411 S C 1.383 175.992 174.600 0.016 0.000 1.016 411 S CA 1.030 59.237 58.200 0.013 0.000 0.943 411 S CB 0.559 63.767 63.200 0.014 0.000 0.786 411 S HN 1.628 nan 8.310 nan 0.000 0.508 412 G N 0.987 109.798 108.800 0.020 0.000 2.441 412 G HA2 0.592 4.547 3.960 -0.008 0.000 0.334 412 G HA3 0.592 4.547 3.960 -0.008 0.000 0.334 412 G C -0.989 173.928 174.900 0.028 0.000 1.161 412 G CA -0.796 44.319 45.100 0.025 0.000 0.935 412 G HN 0.007 nan 8.290 nan 0.000 0.488 413 K N 0.547 120.970 120.400 0.039 0.000 2.118 413 K HA 0.270 4.585 4.320 -0.008 0.000 0.267 413 K C 1.512 178.160 176.600 0.081 0.000 0.991 413 K CA -0.723 55.596 56.287 0.054 0.000 0.916 413 K CB 1.903 34.441 32.500 0.064 0.000 1.041 413 K HN 0.155 nan 8.250 nan 0.000 0.455 414 V N 1.809 121.787 119.914 0.106 0.000 2.392 414 V HA -0.287 3.828 4.120 -0.008 0.000 0.249 414 V C 2.213 178.445 176.094 0.229 0.000 1.059 414 V CA 2.342 64.746 62.300 0.174 0.000 1.051 414 V CB -0.859 31.110 31.823 0.245 0.000 0.658 414 V HN 0.883 nan 8.190 nan 0.000 0.455 415 A N 0.019 122.989 122.820 0.251 0.000 2.093 415 A HA -0.302 4.013 4.320 -0.008 0.000 0.222 415 A C 1.901 179.631 177.584 0.243 0.000 1.162 415 A CA 2.167 54.389 52.037 0.309 0.000 0.655 415 A CB -0.593 18.525 19.000 0.196 0.000 0.805 415 A HN 0.573 nan 8.150 nan 0.000 0.461 416 D N -0.293 120.181 120.400 0.123 0.000 2.183 416 D HA -0.051 4.584 4.640 -0.008 0.000 0.203 416 D C 1.722 178.015 176.300 -0.010 0.000 0.969 416 D CA 0.695 54.729 54.000 0.057 0.000 0.842 416 D CB -0.343 40.478 40.800 0.036 0.000 0.957 416 D HN 0.538 nan 8.370 nan 0.000 0.484 417 I N 0.188 120.701 120.570 -0.095 0.000 2.185 417 I HA -0.334 3.831 4.170 -0.008 0.000 0.246 417 I C 1.804 177.700 176.117 -0.369 0.000 1.088 417 I CA 1.296 62.410 61.300 -0.309 0.000 1.347 417 I CB -0.174 37.487 38.000 -0.565 0.000 1.041 417 I HN -0.050 nan 8.210 nan 0.000 0.415 418 F N -0.075 119.877 119.950 0.003 0.000 2.387 418 F HA -0.077 4.446 4.527 -0.006 0.000 0.294 418 F C 2.781 178.497 175.800 -0.140 0.000 1.093 418 F CA 0.939 58.873 58.000 -0.111 0.000 1.420 418 F CB -0.856 38.088 39.000 -0.092 0.000 1.086 418 F HN 0.057 nan 8.300 nan 0.000 0.531 419 S N -0.202 115.554 115.700 0.095 0.000 2.368 419 S HA -0.170 4.295 4.470 -0.008 0.000 0.224 419 S C 1.590 176.187 174.600 -0.005 0.000 1.029 419 S CA 1.478 59.697 58.200 0.031 0.000 0.988 419 S CB -0.620 62.604 63.200 0.041 0.000 0.838 419 S HN 0.220 nan 8.310 nan 0.000 0.462 420 D N 2.597 122.988 120.400 -0.015 0.000 2.144 420 D HA 0.094 4.729 4.640 -0.008 0.000 0.199 420 D C 2.241 178.521 176.300 -0.035 0.000 0.984 420 D CA 1.410 55.395 54.000 -0.026 0.000 0.834 420 D CB -0.704 40.075 40.800 -0.035 0.000 0.955 420 D HN 0.544 nan 8.370 nan 0.000 0.465 421 A N 0.564 123.349 122.820 -0.059 0.000 1.933 421 A HA -0.244 4.071 4.320 -0.008 0.000 0.218 421 A C 2.127 179.698 177.584 -0.022 0.000 1.175 421 A CA 1.850 53.864 52.037 -0.039 0.000 0.628 421 A CB -0.625 18.333 19.000 -0.069 0.000 0.814 421 A HN 0.170 nan 8.150 nan 0.000 0.444 422 Q N 0.430 120.189 119.800 -0.068 0.000 2.030 422 Q HA -0.183 4.152 4.340 -0.008 0.000 0.204 422 Q C 2.158 178.162 176.000 0.006 0.000 0.986 422 Q CA 3.370 59.145 55.803 -0.046 0.000 0.843 422 Q CB -0.911 27.789 28.738 -0.064 0.000 0.904 422 Q HN 0.715 nan 8.270 nan 0.000 0.420 423 T N -3.263 111.291 114.554 0.000 0.000 2.737 423 T HA -0.101 4.244 4.350 -0.008 0.000 0.265 423 T C 1.953 176.661 174.700 0.014 0.000 1.038 423 T CA 1.689 63.795 62.100 0.010 0.000 1.144 423 T CB -0.992 67.879 68.868 0.005 0.000 0.866 423 T HN 0.285 nan 8.240 nan 0.000 0.434 424 T N 1.927 116.485 114.554 0.007 0.000 2.788 424 T HA -0.055 4.290 4.350 -0.008 0.000 0.268 424 T C 2.395 177.100 174.700 0.009 0.000 1.044 424 T CA 1.419 63.520 62.100 0.001 0.000 1.139 424 T CB -0.594 68.263 68.868 -0.019 0.000 0.867 424 T HN 0.469 nan 8.240 nan 0.000 0.454 425 S N 0.957 116.688 115.700 0.051 0.000 2.351 425 S HA -0.112 4.353 4.470 -0.008 0.000 0.220 425 S C 2.340 176.953 174.600 0.023 0.000 1.035 425 S CA 1.156 59.407 58.200 0.085 0.000 1.031 425 S CB -0.633 62.754 63.200 0.311 0.000 0.928 425 S HN 0.289 nan 8.310 nan 0.000 0.433 426 V N 2.649 122.594 119.914 0.052 0.000 2.287 426 V HA -0.212 3.903 4.120 -0.008 0.000 0.248 426 V C 2.040 178.150 176.094 0.026 0.000 1.053 426 V CA 1.999 64.325 62.300 0.043 0.000 1.027 426 V CB -0.801 31.053 31.823 0.052 0.000 0.646 426 V HN 0.391 nan 8.190 nan 0.000 0.447 427 D N -0.321 120.093 120.400 0.024 0.000 2.144 427 D HA -0.110 4.525 4.640 -0.008 0.000 0.200 427 D C 2.279 178.603 176.300 0.040 0.000 0.978 427 D CA 1.688 55.706 54.000 0.030 0.000 0.833 427 D CB -0.407 40.407 40.800 0.024 0.000 0.961 427 D HN 0.420 nan 8.370 nan 0.000 0.470 428 T N 1.078 115.643 114.554 0.018 0.000 2.777 428 T HA -0.028 4.317 4.350 -0.008 0.000 0.266 428 T C 2.244 176.973 174.700 0.048 0.000 1.040 428 T CA 0.463 62.589 62.100 0.042 0.000 1.141 428 T CB -0.195 68.646 68.868 -0.044 0.000 0.868 428 T HN 0.110 nan 8.240 nan 0.000 0.444 429 L N 0.425 121.598 121.223 -0.083 0.000 2.046 429 L HA -0.082 4.254 4.340 -0.008 0.000 0.208 429 L C 2.688 179.606 176.870 0.080 0.000 1.077 429 L CA 1.375 56.150 54.840 -0.108 0.000 0.747 429 L CB -0.415 41.533 42.059 -0.185 0.000 0.896 429 L HN 0.200 nan 8.230 nan 0.000 0.432 430 K N -0.205 120.243 120.400 0.079 0.000 2.097 430 K HA -0.131 4.184 4.320 -0.008 0.000 0.206 430 K C 1.867 178.534 176.600 0.111 0.000 1.049 430 K CA 1.237 57.580 56.287 0.094 0.000 0.933 430 K CB -0.176 32.365 32.500 0.068 0.000 0.717 430 K HN 0.286 nan 8.250 nan 0.000 0.442 431 N N 0.568 119.346 118.700 0.130 0.000 2.223 431 N HA -0.113 4.622 4.740 -0.008 0.000 0.185 431 N C 1.347 176.931 175.510 0.122 0.000 1.016 431 N CA 1.091 54.210 53.050 0.115 0.000 0.863 431 N CB -0.259 38.295 38.487 0.112 0.000 0.983 431 N HN 0.135 nan 8.380 nan 0.000 0.429 432 F N 0.379 120.321 119.950 -0.013 0.000 2.771 432 F HA 0.091 4.613 4.527 -0.008 0.000 0.299 432 F C 1.673 177.482 175.800 0.014 0.000 1.177 432 F CA 0.278 58.274 58.000 -0.008 0.000 1.450 432 F CB -0.085 38.905 39.000 -0.017 0.000 1.114 432 F HN 0.120 nan 8.300 nan 0.000 0.587 433 G N 1.027 109.923 108.800 0.160 0.000 2.153 433 G HA2 -0.301 3.654 3.960 -0.008 0.000 0.252 433 G HA3 -0.301 3.654 3.960 -0.008 0.000 0.252 433 G C 0.087 175.074 174.900 0.146 0.000 0.994 433 G CA -0.039 45.129 45.100 0.114 0.000 0.698 433 G HN 0.281 nan 8.290 nan 0.000 0.521 434 L N 0.532 121.869 121.223 0.190 0.000 2.343 434 L HA 0.657 4.992 4.340 -0.008 0.000 0.275 434 L C 1.058 178.046 176.870 0.197 0.000 1.056 434 L CA -0.573 54.397 54.840 0.218 0.000 0.804 434 L CB 1.738 43.969 42.059 0.287 0.000 1.203 434 L HN 0.192 nan 8.230 nan 0.000 0.440 435 S N 1.563 117.386 115.700 0.205 0.000 2.528 435 S HA 0.461 4.926 4.470 -0.008 0.000 0.277 435 S C -0.480 174.249 174.600 0.216 0.000 1.297 435 S CA -0.557 57.741 58.200 0.164 0.000 1.052 435 S CB 0.601 63.869 63.200 0.113 0.000 0.917 435 S HN 0.331 nan 8.310 nan 0.000 0.492 436 V N 4.436 124.449 119.914 0.165 0.000 2.540 436 V HA 0.585 4.700 4.120 -0.008 0.000 0.302 436 V C 0.314 176.482 176.094 0.125 0.000 1.035 436 V CA -0.682 61.724 62.300 0.176 0.000 0.873 436 V CB 1.606 33.512 31.823 0.139 0.000 0.992 436 V HN 0.908 nan 8.190 nan 0.000 0.428 437 S N 0.000 115.776 115.700 0.126 0.000 2.498 437 S HA 0.000 4.465 4.470 -0.008 0.000 0.327 437 S CA 0.000 58.251 58.200 0.084 0.000 1.107 437 S CB 0.000 63.241 63.200 0.069 0.000 0.593 437 S HN 0.000 nan 8.310 nan 0.000 0.517