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 3c4n_1_A DATA FIRST_RESID 34 DATA SEQUENCE EEAFDIVVIG AGRXGAACAF YLRQLAPGRS LLLVEEGGLP NEEGATILAP DATA SEQUENCE GVWTAQDIPA GQEAQAEWTR EQLLGALGSG KTLEVEDRPL LHLLPAGEGS DATA SEQUENCE GLTPTLDALA DFPEALALLD PARLPVARVD PRALTYRPGS LALLAAQQAI DATA SEQUENCE GQGAGLLLNT RAELVPGGVR LHRLTXXXXX XXVVHETRQI RAGVIIVAAG DATA SEQUENCE AAGPALVEQG LGLHTRHGRA YRQFPRLDLL SGAQTPVLRA SGLTLRPQNG DATA SEQUENCE GYTLVPAIHH RDPHGYHPAG GSLTGVPTGL RRELLEDLVG LXDAVPALAG DATA SEQUENCE EGLELGRSSA DVPGAWLALP GGRPDAPPQA EELAPGLHLL LGGPLADTLG DATA SEQUENCE LAAAHELAQR VSASLE 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 34 E HA 0.000 nan 4.350 nan 0.000 0.291 34 E C 0.000 176.589 176.600 -0.018 0.000 1.382 34 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 34 E CB 0.000 29.700 29.700 -0.001 0.000 0.812 35 E N 0.296 120.487 120.200 -0.015 0.000 2.415 35 E HA 0.436 4.786 4.350 0.000 0.000 0.262 35 E C -1.099 175.460 176.600 -0.068 0.000 1.038 35 E CA 0.426 56.787 56.400 -0.066 0.000 0.921 35 E CB 0.628 30.309 29.700 -0.032 0.000 0.950 35 E HN 0.441 nan 8.360 nan 0.000 0.438 36 A N 3.215 125.892 122.820 -0.239 0.000 2.498 36 A HA 0.691 5.012 4.320 0.000 0.000 0.298 36 A C -1.673 175.627 177.584 -0.472 0.000 1.075 36 A CA -0.690 51.249 52.037 -0.162 0.000 0.714 36 A CB 0.889 19.845 19.000 -0.074 0.000 1.299 36 A HN 0.499 nan 8.150 nan 0.000 0.407 37 F N 0.009 119.962 119.950 0.005 0.000 2.588 37 F HA 0.405 4.932 4.527 0.000 0.000 0.314 37 F C 0.678 176.484 175.800 0.010 0.000 1.069 37 F CA -0.629 57.376 58.000 0.007 0.000 0.931 37 F CB 1.961 40.967 39.000 0.010 0.000 1.260 37 F HN 0.599 nan 8.300 nan 0.000 0.465 38 D N 1.008 121.513 120.400 0.174 0.000 2.149 38 D HA 0.073 4.713 4.640 0.000 0.000 0.201 38 D C 0.317 176.687 176.300 0.116 0.000 0.972 38 D CA 1.768 55.832 54.000 0.107 0.000 0.835 38 D CB 0.437 41.279 40.800 0.070 0.000 0.966 38 D HN 0.224 nan 8.370 nan 0.000 0.476 39 I N 0.529 121.183 120.570 0.140 0.000 2.569 39 I HA 0.215 4.385 4.170 0.000 0.000 0.290 39 I C -0.994 175.163 176.117 0.068 0.000 1.088 39 I CA -0.750 60.606 61.300 0.094 0.000 1.047 39 I CB 3.208 41.247 38.000 0.064 0.000 1.237 39 I HN -0.412 nan 8.210 nan 0.000 0.421 40 V N 6.686 126.624 119.914 0.040 0.000 2.444 40 V HA 0.406 4.526 4.120 0.000 0.000 0.294 40 V C -0.294 175.797 176.094 -0.006 0.000 1.022 40 V CA -0.682 61.604 62.300 -0.023 0.000 0.850 40 V CB 2.198 34.003 31.823 -0.030 0.000 0.992 40 V HN 0.396 nan 8.190 nan 0.000 0.426 41 V N 6.633 126.533 119.914 -0.024 0.000 2.370 41 V HA 0.483 4.603 4.120 0.000 0.000 0.283 41 V C -0.064 176.025 176.094 -0.008 0.000 1.023 41 V CA -0.384 61.917 62.300 0.001 0.000 0.857 41 V CB 1.620 33.449 31.823 0.010 0.000 0.985 41 V HN 0.673 nan 8.190 nan 0.000 0.443 42 I N 4.660 125.234 120.570 0.008 0.000 2.304 42 I HA 0.707 4.877 4.170 0.000 0.000 0.291 42 I C 0.718 176.845 176.117 0.016 0.000 1.018 42 I CA -0.030 61.275 61.300 0.007 0.000 1.260 42 I CB 1.217 39.226 38.000 0.015 0.000 1.390 42 I HN 0.858 nan 8.210 nan 0.000 0.475 43 G N 4.440 113.248 108.800 0.012 0.000 3.438 43 G HA2 0.126 4.086 3.960 0.000 0.000 0.684 43 G HA3 0.126 4.086 3.960 0.000 0.000 0.684 43 G C -0.302 174.610 174.900 0.020 0.000 1.192 43 G CA -0.341 44.771 45.100 0.019 0.000 1.013 43 G HN 0.899 nan 8.290 nan 0.000 0.530 44 A N 1.669 124.498 122.820 0.016 0.000 2.708 44 A HA 0.767 5.088 4.320 0.000 0.000 0.293 44 A C 1.458 179.052 177.584 0.016 0.000 1.303 44 A CA 1.155 53.200 52.037 0.014 0.000 0.949 44 A CB -0.153 18.849 19.000 0.004 0.000 1.121 44 A HN 2.046 nan 8.150 nan 0.000 0.542 45 G N 0.213 109.028 108.800 0.026 0.000 2.508 45 G HA2 0.392 4.352 3.960 0.000 0.000 0.278 45 G HA3 0.392 4.352 3.960 0.000 0.000 0.278 45 G C 0.555 175.476 174.900 0.036 0.000 1.389 45 G CA -0.521 44.596 45.100 0.029 0.000 1.050 45 G HN 0.817 nan 8.290 nan 0.000 0.522 49 A N 1.336 124.183 122.820 0.045 0.000 1.902 49 A HA 0.405 4.725 4.320 0.000 0.000 0.217 49 A C 2.699 180.306 177.584 0.038 0.000 1.181 49 A CA 2.717 54.772 52.037 0.029 0.000 0.623 49 A CB -0.756 18.246 19.000 0.003 0.000 0.818 49 A HN 1.323 nan 8.150 nan 0.000 0.443 50 A N -1.345 121.506 122.820 0.052 0.000 1.898 50 A HA -0.168 4.152 4.320 0.000 0.000 0.216 50 A C 2.373 180.017 177.584 0.100 0.000 1.181 50 A CA 1.552 53.609 52.037 0.034 0.000 0.620 50 A CB -1.354 17.740 19.000 0.157 0.000 0.819 50 A HN 0.691 nan 8.150 nan 0.000 0.442 51 C N -0.714 118.701 119.300 0.191 0.000 2.429 51 C HA 0.071 4.532 4.460 0.000 0.000 0.277 51 C C 3.200 178.276 174.990 0.144 0.000 1.262 51 C CA 1.187 60.338 59.018 0.221 0.000 1.733 51 C CB -1.270 26.552 27.740 0.138 0.000 2.010 51 C HN 0.663 nan 8.230 nan 0.000 0.483 52 A N -0.723 122.156 122.820 0.098 0.000 1.933 52 A HA -0.106 4.214 4.320 0.000 0.000 0.218 52 A C 1.953 179.588 177.584 0.086 0.000 1.175 52 A CA 1.733 53.814 52.037 0.074 0.000 0.628 52 A CB -0.930 18.105 19.000 0.057 0.000 0.814 52 A HN 0.675 nan 8.150 nan 0.000 0.444 53 F N -0.316 119.583 119.950 -0.086 0.000 2.084 53 F HA -0.153 4.374 4.527 0.000 0.000 0.296 53 F C 2.049 177.806 175.800 -0.072 0.000 1.111 53 F CA 1.505 59.419 58.000 -0.143 0.000 1.224 53 F CB -0.646 38.173 39.000 -0.301 0.000 0.991 53 F HN 0.284 nan 8.300 nan 0.000 0.471 54 Y N 0.497 120.743 120.300 -0.091 0.000 2.274 54 Y HA -0.157 4.393 4.550 0.000 0.000 0.290 54 Y C 2.418 178.235 175.900 -0.139 0.000 1.145 54 Y CA 1.296 59.306 58.100 -0.150 0.000 1.203 54 Y CB -1.088 37.451 38.460 0.131 0.000 0.984 54 Y HN 0.115 nan 8.280 nan 0.000 0.533 55 L N -0.800 120.459 121.223 0.059 0.000 2.141 55 L HA -0.170 4.171 4.340 0.000 0.000 0.209 55 L C 2.383 179.238 176.870 -0.026 0.000 1.094 55 L CA 0.822 55.669 54.840 0.011 0.000 0.763 55 L CB -0.274 41.797 42.059 0.019 0.000 0.908 55 L HN 0.060 nan 8.230 nan 0.000 0.437 56 R N 0.005 120.469 120.500 -0.061 0.000 2.148 56 R HA -0.099 4.241 4.340 0.000 0.000 0.227 56 R C 2.008 178.253 176.300 -0.092 0.000 1.103 56 R CA 1.022 57.087 56.100 -0.059 0.000 0.983 56 R CB -0.387 29.890 30.300 -0.039 0.000 0.874 56 R HN 0.554 nan 8.270 nan 0.000 0.451 57 Q N -0.355 119.345 119.800 -0.168 0.000 2.339 57 Q HA 0.139 4.479 4.340 0.000 0.000 0.205 57 Q C 2.093 178.062 176.000 -0.051 0.000 0.925 57 Q CA 0.439 56.163 55.803 -0.132 0.000 0.898 57 Q CB 0.273 28.872 28.738 -0.230 0.000 1.013 57 Q HN 0.231 nan 8.270 nan 0.000 0.504 58 L N -0.421 120.782 121.223 -0.033 0.000 2.162 58 L HA 0.084 4.424 4.340 0.000 0.000 0.205 58 L C 0.993 177.851 176.870 -0.020 0.000 1.086 58 L CA 0.501 55.330 54.840 -0.018 0.000 0.778 58 L CB 0.247 42.289 42.059 -0.028 0.000 0.928 58 L HN -0.015 nan 8.230 nan 0.000 0.446 59 A N -0.637 122.172 122.820 -0.019 0.000 3.297 59 A HA 0.362 4.682 4.320 0.000 0.000 0.304 59 A C -1.771 175.811 177.584 -0.003 0.000 0.963 59 A CA -0.796 51.235 52.037 -0.010 0.000 0.935 59 A CB -0.148 18.847 19.000 -0.008 0.000 1.093 59 A HN -0.034 nan 8.150 nan 0.000 0.480 60 P HA -0.137 nan 4.420 nan 0.000 0.221 60 P C 1.322 178.628 177.300 0.010 0.000 1.145 60 P CA 1.856 64.956 63.100 0.001 0.000 0.795 60 P CB 0.098 31.797 31.700 -0.002 0.000 0.775 61 G N -0.556 108.249 108.800 0.008 0.000 2.920 61 G HA2 -0.034 3.926 3.960 0.000 0.000 0.208 61 G HA3 -0.034 3.926 3.960 0.000 0.000 0.208 61 G C 0.766 175.675 174.900 0.015 0.000 1.159 61 G CA -0.144 44.962 45.100 0.010 0.000 0.784 61 G HN 0.128 nan 8.290 nan 0.000 0.535 62 R N 1.528 122.041 120.500 0.021 0.000 2.239 62 R HA 0.263 4.603 4.340 0.000 0.000 0.332 62 R C 0.159 176.493 176.300 0.056 0.000 0.988 62 R CA -0.363 55.756 56.100 0.032 0.000 0.859 62 R CB 1.037 31.354 30.300 0.027 0.000 1.148 62 R HN 0.255 nan 8.270 nan 0.000 0.482 63 S N 3.010 118.754 115.700 0.073 0.000 2.558 63 S HA 0.143 4.613 4.470 0.000 0.000 0.291 63 S C 0.401 175.110 174.600 0.182 0.000 1.306 63 S CA -0.480 57.800 58.200 0.133 0.000 1.056 63 S CB 0.828 64.109 63.200 0.135 0.000 0.836 63 S HN 0.597 nan 8.310 nan 0.000 0.504 64 L N 3.390 124.718 121.223 0.176 0.000 2.431 64 L HA 0.656 4.996 4.340 0.000 0.000 0.266 64 L C -1.383 175.493 176.870 0.009 0.000 0.978 64 L CA -0.888 54.012 54.840 0.099 0.000 0.822 64 L CB 1.667 43.758 42.059 0.052 0.000 1.310 64 L HN 0.841 nan 8.230 nan 0.000 0.409 65 L N 5.846 126.965 121.223 -0.174 0.000 2.333 65 L HA 0.481 4.821 4.340 0.000 0.000 0.280 65 L C -1.309 175.435 176.870 -0.210 0.000 1.004 65 L CA -0.650 53.960 54.840 -0.383 0.000 0.820 65 L CB 1.741 43.190 42.059 -1.017 0.000 1.247 65 L HN 0.667 nan 8.230 nan 0.000 0.416 66 L N 5.947 127.088 121.223 -0.136 0.000 2.272 66 L HA 0.497 4.837 4.340 0.000 0.000 0.289 66 L C -0.928 175.894 176.870 -0.080 0.000 1.032 66 L CA -0.520 54.274 54.840 -0.076 0.000 0.810 66 L CB 1.770 43.808 42.059 -0.034 0.000 1.205 66 L HN 0.365 nan 8.230 nan 0.000 0.422 67 V N 3.816 123.692 119.914 -0.063 0.000 2.448 67 V HA 0.464 4.584 4.120 0.000 0.000 0.295 67 V C -0.500 175.584 176.094 -0.018 0.000 1.025 67 V CA -0.654 61.618 62.300 -0.047 0.000 0.859 67 V CB 1.828 33.622 31.823 -0.050 0.000 0.988 67 V HN 0.726 nan 8.190 nan 0.000 0.431 68 E N 2.777 122.971 120.200 -0.010 0.000 2.275 68 E HA 0.370 4.720 4.350 0.000 0.000 0.270 68 E C 0.567 177.172 176.600 0.007 0.000 0.882 68 E CA -0.506 55.895 56.400 0.001 0.000 0.758 68 E CB 1.964 31.664 29.700 0.000 0.000 1.195 68 E HN 0.773 nan 8.360 nan 0.000 0.419 69 E N 2.469 122.676 120.200 0.013 0.000 2.371 69 E HA 0.149 4.499 4.350 0.000 0.000 0.194 69 E C 0.793 177.401 176.600 0.014 0.000 1.012 69 E CA 0.390 56.800 56.400 0.016 0.000 0.860 69 E CB 0.362 30.072 29.700 0.016 0.000 0.811 69 E HN 0.408 nan 8.360 nan 0.000 0.502 70 G N 0.604 109.412 108.800 0.013 0.000 2.782 70 G HA2 0.523 4.483 3.960 0.000 0.000 0.201 70 G HA3 0.523 4.483 3.960 0.000 0.000 0.201 70 G C 0.013 174.918 174.900 0.008 0.000 1.374 70 G CA -0.311 44.796 45.100 0.012 0.000 1.039 70 G HN 0.231 nan 8.290 nan 0.000 0.576 71 G N -1.820 106.984 108.800 0.006 0.000 2.705 71 G HA2 0.516 4.476 3.960 0.000 0.000 0.299 71 G HA3 0.516 4.476 3.960 0.000 0.000 0.299 71 G C -1.579 173.320 174.900 -0.001 0.000 1.315 71 G CA -0.558 44.544 45.100 0.002 0.000 1.045 71 G HN 0.697 nan 8.290 nan 0.000 0.517 72 L N 1.210 122.430 121.223 -0.004 0.000 2.345 72 L HA 0.535 4.875 4.340 0.000 0.000 0.274 72 L C -2.017 174.846 176.870 -0.011 0.000 0.999 72 L CA -1.256 53.579 54.840 -0.008 0.000 0.849 72 L CB 1.200 43.254 42.059 -0.009 0.000 1.220 72 L HN 0.324 nan 8.230 nan 0.000 0.422 73 P HA 0.329 nan 4.420 nan 0.000 0.286 73 P C -1.291 176.004 177.300 -0.008 0.000 1.293 73 P CA -0.404 62.688 63.100 -0.013 0.000 0.770 73 P CB 0.436 32.124 31.700 -0.019 0.000 1.206 74 N N 0.733 119.430 118.700 -0.006 0.000 2.569 74 N HA 0.029 4.770 4.740 0.000 0.000 0.254 74 N C 0.420 175.928 175.510 -0.003 0.000 1.004 74 N CA -0.353 52.697 53.050 0.000 0.000 0.904 74 N CB 0.539 39.031 38.487 0.008 0.000 1.165 74 N HN 0.329 nan 8.380 nan 0.000 0.513 75 E N 2.514 122.710 120.200 -0.006 0.000 2.485 75 E HA -0.054 4.296 4.350 0.000 0.000 0.194 75 E C -0.488 176.113 176.600 0.001 0.000 1.098 75 E CA 0.704 57.096 56.400 -0.013 0.000 0.878 75 E CB 0.006 29.695 29.700 -0.017 0.000 0.939 75 E HN 0.690 nan 8.360 nan 0.000 0.503 76 E N 0.260 120.470 120.200 0.017 0.000 2.501 76 E HA 0.239 4.589 4.350 0.000 0.000 0.200 76 E C 0.425 177.060 176.600 0.060 0.000 1.016 76 E CA -0.015 56.409 56.400 0.041 0.000 0.921 76 E CB 0.914 30.638 29.700 0.040 0.000 1.034 76 E HN 0.314 nan 8.360 nan 0.000 0.468 77 G N -0.144 108.678 108.800 0.038 0.000 2.601 77 G HA2 0.448 4.408 3.960 0.000 0.000 0.317 77 G HA3 0.448 4.408 3.960 0.000 0.000 0.317 77 G C 0.624 175.546 174.900 0.036 0.000 1.246 77 G CA -0.090 45.041 45.100 0.051 0.000 1.012 77 G HN 0.116 nan 8.290 nan 0.000 0.494 78 A N -0.810 122.044 122.820 0.056 0.000 1.930 78 A HA 0.074 4.394 4.320 0.000 0.000 0.215 78 A C 2.400 179.962 177.584 -0.037 0.000 1.176 78 A CA 2.291 54.350 52.037 0.037 0.000 0.632 78 A CB -0.947 18.110 19.000 0.095 0.000 0.819 78 A HN 0.567 nan 8.150 nan 0.000 0.445 79 T N 0.380 114.926 114.554 -0.013 0.000 2.699 79 T HA -0.207 4.143 4.350 0.000 0.000 0.268 79 T C 1.772 176.423 174.700 -0.081 0.000 1.036 79 T CA 1.814 63.898 62.100 -0.027 0.000 1.147 79 T CB -0.375 68.495 68.868 0.005 0.000 0.862 79 T HN 0.405 nan 8.240 nan 0.000 0.446 80 I N 0.591 121.107 120.570 -0.091 0.000 2.315 80 I HA -0.013 4.157 4.170 0.000 0.000 0.248 80 I C 1.752 177.736 176.117 -0.221 0.000 1.117 80 I CA 1.369 62.596 61.300 -0.121 0.000 1.404 80 I CB -0.199 37.749 38.000 -0.087 0.000 1.071 80 I HN 0.225 nan 8.210 nan 0.000 0.419 81 L N 0.351 121.369 121.223 -0.343 0.000 2.529 81 L HA 0.276 4.616 4.340 0.000 0.000 0.223 81 L C 1.310 177.672 176.870 -0.846 0.000 1.113 81 L CA 0.051 54.479 54.840 -0.686 0.000 0.861 81 L CB -0.779 40.666 42.059 -1.024 0.000 1.012 81 L HN 0.159 nan 8.230 nan 0.000 0.461 82 A N 1.712 124.249 122.820 -0.471 0.000 2.565 82 A HA 0.094 4.415 4.320 0.000 0.000 0.237 82 A C -1.150 176.272 177.584 -0.270 0.000 1.053 82 A CA -0.734 51.132 52.037 -0.286 0.000 0.755 82 A CB -0.249 18.669 19.000 -0.136 0.000 0.980 82 A HN 0.050 nan 8.150 nan 0.000 0.506 83 P HA -0.032 nan 4.420 nan 0.000 0.226 83 P C 0.897 178.037 177.300 -0.266 0.000 1.153 83 P CA 1.168 64.171 63.100 -0.161 0.000 0.777 83 P CB -0.158 31.512 31.700 -0.050 0.000 0.794 84 G N 0.095 108.672 108.800 -0.372 0.000 2.350 84 G HA2 -0.177 3.783 3.960 0.000 0.000 0.298 84 G HA3 -0.177 3.783 3.960 0.000 0.000 0.298 84 G C -0.134 174.419 174.900 -0.578 0.000 1.037 84 G CA -0.188 44.416 45.100 -0.826 0.000 1.074 84 G HN 0.332 nan 8.290 nan 0.000 0.511 85 V N 0.455 120.245 119.914 -0.207 0.000 2.347 85 V HA 0.572 4.692 4.120 0.000 0.000 0.280 85 V C 0.110 176.286 176.094 0.137 0.000 1.021 85 V CA -0.842 61.450 62.300 -0.012 0.000 0.847 85 V CB 1.426 33.234 31.823 -0.024 0.000 0.990 85 V HN 0.462 nan 8.190 nan 0.000 0.444 86 W N 5.005 126.375 121.300 0.117 0.000 2.316 86 W HA 0.616 5.276 4.660 0.000 0.000 0.308 86 W C 0.138 176.702 176.519 0.074 0.000 1.106 86 W CA 0.028 57.455 57.345 0.136 0.000 1.262 86 W CB 1.343 30.909 29.460 0.176 0.000 1.233 86 W HN 0.579 nan 8.180 nan 0.000 0.447 87 T N 3.992 118.341 114.554 -0.341 0.000 2.952 87 T HA 0.448 4.799 4.350 0.000 0.000 0.305 87 T C 0.699 175.059 174.700 -0.567 0.000 1.064 87 T CA 0.018 61.972 62.100 -0.243 0.000 1.008 87 T CB 1.443 70.257 68.868 -0.089 0.000 1.078 87 T HN 0.553 nan 8.240 nan 0.000 0.459 88 A N 3.002 125.625 122.820 -0.327 0.000 2.178 88 A HA -0.010 4.310 4.320 0.000 0.000 0.218 88 A C 1.810 179.298 177.584 -0.159 0.000 1.157 88 A CA 1.262 53.152 52.037 -0.245 0.000 0.689 88 A CB -0.426 18.588 19.000 0.022 0.000 0.787 88 A HN 0.892 nan 8.150 nan 0.000 0.465 89 Q N -0.770 118.952 119.800 -0.131 0.000 2.425 89 Q HA -0.020 4.320 4.340 0.000 0.000 0.204 89 Q C 0.029 175.969 176.000 -0.100 0.000 0.933 89 Q CA 0.468 56.230 55.803 -0.068 0.000 0.939 89 Q CB 0.240 28.970 28.738 -0.012 0.000 1.044 89 Q HN 0.465 nan 8.270 nan 0.000 0.513 90 D N 0.102 120.392 120.400 -0.183 0.000 2.424 90 D HA 0.169 4.809 4.640 0.000 0.000 0.220 90 D C -0.416 175.785 176.300 -0.165 0.000 1.150 90 D CA 0.112 54.012 54.000 -0.166 0.000 0.831 90 D CB 0.479 41.162 40.800 -0.196 0.000 0.981 90 D HN 0.171 nan 8.370 nan 0.000 0.500 91 I N 2.056 122.533 120.570 -0.155 0.000 2.297 91 I HA 0.245 4.415 4.170 0.000 0.000 0.291 91 I C -1.995 174.094 176.117 -0.048 0.000 1.033 91 I CA -1.751 59.485 61.300 -0.106 0.000 1.253 91 I CB 1.147 39.087 38.000 -0.099 0.000 1.396 91 I HN -0.335 nan 8.210 nan 0.000 0.476 92 P HA 0.167 nan 4.420 nan 0.000 0.272 92 P C -0.438 176.863 177.300 0.001 0.000 1.240 92 P CA -0.479 62.616 63.100 -0.009 0.000 0.791 92 P CB 0.612 32.311 31.700 -0.001 0.000 0.978 93 A N 1.162 123.986 122.820 0.007 0.000 2.492 93 A HA 0.446 4.766 4.320 0.000 0.000 0.254 93 A C 1.351 178.945 177.584 0.016 0.000 1.091 93 A CA 0.750 52.795 52.037 0.013 0.000 0.768 93 A CB -1.427 17.581 19.000 0.013 0.000 1.028 93 A HN 0.850 nan 8.150 nan 0.000 0.498 94 G N 1.313 110.125 108.800 0.021 0.000 2.194 94 G HA2 -0.196 3.765 3.960 0.000 0.000 0.236 94 G HA3 -0.196 3.765 3.960 0.000 0.000 0.236 94 G C 0.520 175.437 174.900 0.028 0.000 0.987 94 G CA 0.370 45.484 45.100 0.023 0.000 0.635 94 G HN 0.710 nan 8.290 nan 0.000 0.520 95 Q N 0.025 119.843 119.800 0.029 0.000 2.204 95 Q HA 0.270 4.611 4.340 0.000 0.000 0.209 95 Q C 1.602 177.638 176.000 0.061 0.000 0.861 95 Q CA 0.397 56.224 55.803 0.038 0.000 0.971 95 Q CB 0.552 29.307 28.738 0.028 0.000 1.095 95 Q HN 0.611 nan 8.270 nan 0.000 0.486 96 E N 1.478 121.716 120.200 0.064 0.000 2.118 96 E HA -0.159 4.191 4.350 0.000 0.000 0.195 96 E C 1.868 178.546 176.600 0.131 0.000 0.992 96 E CA 1.464 57.921 56.400 0.095 0.000 0.804 96 E CB -0.152 29.597 29.700 0.082 0.000 0.741 96 E HN 0.399 nan 8.360 nan 0.000 0.458 97 A N 0.539 123.423 122.820 0.107 0.000 1.873 97 A HA -0.245 4.075 4.320 0.000 0.000 0.215 97 A C 2.066 179.756 177.584 0.177 0.000 1.186 97 A CA 1.563 53.674 52.037 0.124 0.000 0.616 97 A CB -0.492 18.551 19.000 0.072 0.000 0.823 97 A HN 0.138 nan 8.150 nan 0.000 0.442 98 Q N -0.092 119.793 119.800 0.142 0.000 2.084 98 Q HA 0.003 4.343 4.340 0.000 0.000 0.202 98 Q C 2.300 178.477 176.000 0.295 0.000 0.978 98 Q CA 1.859 57.769 55.803 0.177 0.000 0.844 98 Q CB -0.625 28.176 28.738 0.105 0.000 0.898 98 Q HN 0.652 nan 8.270 nan 0.000 0.426 99 A N 0.759 123.739 122.820 0.267 0.000 1.877 99 A HA -0.194 4.126 4.320 0.000 0.000 0.216 99 A C 1.937 179.888 177.584 0.612 0.000 1.186 99 A CA 1.468 53.739 52.037 0.390 0.000 0.620 99 A CB -0.330 18.798 19.000 0.214 0.000 0.822 99 A HN 0.185 nan 8.150 nan 0.000 0.443 100 E N -1.395 119.059 120.200 0.423 0.000 2.107 100 E HA -0.176 4.174 4.350 0.000 0.000 0.191 100 E C 1.696 178.395 176.600 0.165 0.000 0.982 100 E CA 0.904 57.471 56.400 0.278 0.000 0.809 100 E CB -0.475 29.341 29.700 0.193 0.000 0.756 100 E HN 0.857 nan 8.360 nan 0.000 0.459 101 W N 2.090 123.429 121.300 0.065 0.000 2.358 101 W HA -0.188 4.473 4.660 0.000 0.000 0.303 101 W C 2.198 178.715 176.519 -0.004 0.000 1.208 101 W CA 2.390 59.735 57.345 -0.000 0.000 1.274 101 W CB -0.355 29.099 29.460 -0.011 0.000 1.138 101 W HN -0.043 nan 8.180 nan 0.000 0.515 102 T N 0.343 115.102 114.554 0.342 0.000 2.746 102 T HA -0.245 4.105 4.350 0.000 0.000 0.267 102 T C 1.856 176.504 174.700 -0.087 0.000 1.039 102 T CA 1.691 63.919 62.100 0.214 0.000 1.142 102 T CB -0.381 68.745 68.868 0.430 0.000 0.866 102 T HN 0.175 nan 8.240 nan 0.000 0.444 103 R N 0.725 121.124 120.500 -0.167 0.000 2.073 103 R HA -0.111 4.229 4.340 0.000 0.000 0.234 103 R C 2.491 178.490 176.300 -0.503 0.000 1.134 103 R CA 1.706 57.396 56.100 -0.683 0.000 0.952 103 R CB -0.170 29.406 30.300 -1.208 0.000 0.850 103 R HN 0.493 nan 8.270 nan 0.000 0.433 104 E N -0.238 119.714 120.200 -0.413 0.000 2.085 104 E HA -0.231 4.119 4.350 0.000 0.000 0.194 104 E C 2.030 178.371 176.600 -0.432 0.000 0.994 104 E CA 1.164 57.327 56.400 -0.395 0.000 0.801 104 E CB 0.169 29.638 29.700 -0.385 0.000 0.743 104 E HN 0.306 nan 8.360 nan 0.000 0.453 105 Q N 0.055 119.520 119.800 -0.558 0.000 2.061 105 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 105 Q C 2.318 178.115 176.000 -0.338 0.000 0.984 105 Q CA 0.887 56.394 55.803 -0.493 0.000 0.846 105 Q CB -0.379 28.020 28.738 -0.565 0.000 0.902 105 Q HN 0.283 nan 8.270 nan 0.000 0.421 106 L N 0.564 121.572 121.223 -0.358 0.000 1.971 106 L HA -0.206 4.134 4.340 0.000 0.000 0.215 106 L C 2.437 179.123 176.870 -0.307 0.000 1.072 106 L CA 1.640 56.251 54.840 -0.381 0.000 0.758 106 L CB -1.345 40.425 42.059 -0.482 0.000 0.889 106 L HN 0.211 nan 8.230 nan 0.000 0.433 107 L N -1.254 119.793 121.223 -0.293 0.000 2.191 107 L HA -0.107 4.233 4.340 0.000 0.000 0.212 107 L C 2.006 178.765 176.870 -0.186 0.000 1.103 107 L CA 1.062 55.768 54.840 -0.222 0.000 0.769 107 L CB -0.863 41.064 42.059 -0.220 0.000 0.908 107 L HN 0.436 nan 8.230 nan 0.000 0.438 108 G N -1.445 107.233 108.800 -0.204 0.000 3.189 108 G HA2 0.305 4.266 3.960 0.000 0.000 0.225 108 G HA3 0.305 4.266 3.960 0.000 0.000 0.225 108 G C 1.022 175.834 174.900 -0.146 0.000 1.159 108 G CA 0.330 45.334 45.100 -0.161 0.000 0.763 108 G HN 0.350 nan 8.290 nan 0.000 0.549 109 A N -0.124 122.594 122.820 -0.170 0.000 2.783 109 A HA -0.175 4.145 4.320 0.000 0.000 0.292 109 A C 1.573 179.059 177.584 -0.162 0.000 1.495 109 A CA 1.163 53.099 52.037 -0.168 0.000 0.787 109 A CB -1.976 16.943 19.000 -0.136 0.000 1.017 109 A HN 1.294 nan 8.150 nan 0.000 0.516 110 L N -4.467 116.670 121.223 -0.145 0.000 4.696 110 L HA -0.259 4.081 4.340 0.000 0.000 0.425 110 L C 1.482 178.394 176.870 0.070 0.000 1.115 110 L CA 0.772 55.592 54.840 -0.033 0.000 0.996 110 L CB -1.971 40.001 42.059 -0.145 0.000 2.077 110 L HN 2.430 nan 8.230 nan 0.000 0.792 111 G N 0.282 109.074 108.800 -0.014 0.000 2.246 111 G HA2 -0.302 3.658 3.960 0.000 0.000 0.273 111 G HA3 -0.302 3.658 3.960 0.000 0.000 0.273 111 G C 0.551 175.489 174.900 0.064 0.000 1.055 111 G CA 0.830 45.941 45.100 0.019 0.000 0.851 111 G HN 0.990 nan 8.290 nan 0.000 0.500 112 S N -1.155 114.559 115.700 0.024 0.000 2.568 112 S HA 0.461 4.931 4.470 0.000 0.000 0.232 112 S C 2.008 176.605 174.600 -0.005 0.000 0.975 112 S CA 0.922 59.142 58.200 0.033 0.000 0.949 112 S CB 0.618 63.792 63.200 -0.043 0.000 0.829 112 S HN 2.225 nan 8.310 nan 0.000 0.479 113 G N 1.529 110.318 108.800 -0.018 0.000 2.186 113 G HA2 -0.280 3.680 3.960 0.000 0.000 0.266 113 G HA3 -0.280 3.680 3.960 0.000 0.000 0.266 113 G C 0.184 175.062 174.900 -0.038 0.000 0.982 113 G CA 0.693 45.779 45.100 -0.024 0.000 0.670 113 G HN 0.503 nan 8.290 nan 0.000 0.533 114 K N -0.260 120.106 120.400 -0.056 0.000 2.148 114 K HA 0.609 4.929 4.320 0.000 0.000 0.239 114 K C 0.342 176.899 176.600 -0.072 0.000 1.018 114 K CA -0.185 56.062 56.287 -0.067 0.000 0.923 114 K CB 0.814 33.260 32.500 -0.092 0.000 1.117 114 K HN 0.126 nan 8.250 nan 0.000 0.477 115 T N 1.132 115.646 114.554 -0.068 0.000 2.767 115 T HA 0.446 4.796 4.350 0.000 0.000 0.288 115 T C -0.763 173.893 174.700 -0.073 0.000 0.963 115 T CA -0.617 61.444 62.100 -0.064 0.000 1.019 115 T CB 0.023 68.861 68.868 -0.049 0.000 0.923 115 T HN 0.284 nan 8.240 nan 0.000 0.468 116 L N 5.047 126.224 121.223 -0.078 0.000 2.471 116 L HA 0.396 4.736 4.340 0.000 0.000 0.263 116 L C -0.249 176.585 176.870 -0.059 0.000 0.985 116 L CA -0.743 54.049 54.840 -0.080 0.000 0.868 116 L CB 1.468 43.453 42.059 -0.123 0.000 1.203 116 L HN 0.688 nan 8.230 nan 0.000 0.429 117 E N 3.895 124.077 120.200 -0.030 0.000 2.491 117 E HA 0.116 4.466 4.350 0.000 0.000 0.250 117 E C -0.844 175.763 176.600 0.012 0.000 1.061 117 E CA 0.227 56.620 56.400 -0.012 0.000 0.942 117 E CB 1.185 30.883 29.700 -0.003 0.000 0.957 117 E HN 0.241 nan 8.360 nan 0.000 0.480 118 V N 4.575 124.486 119.914 -0.005 0.000 2.567 118 V HA 0.117 4.238 4.120 0.000 0.000 0.298 118 V C 0.092 176.188 176.094 0.003 0.000 1.047 118 V CA -0.830 61.479 62.300 0.015 0.000 0.880 118 V CB 1.787 33.580 31.823 -0.050 0.000 1.009 118 V HN 0.546 nan 8.190 nan 0.000 0.429 119 E N 2.603 122.817 120.200 0.024 0.000 2.212 119 E HA 0.484 4.835 4.350 0.000 0.000 0.270 119 E C -1.354 175.256 176.600 0.017 0.000 0.956 119 E CA -0.869 55.537 56.400 0.010 0.000 0.825 119 E CB 2.132 31.834 29.700 0.004 0.000 1.167 119 E HN 0.490 nan 8.360 nan 0.000 0.400 120 D N 1.760 122.165 120.400 0.009 0.000 2.317 120 D HA 0.222 4.862 4.640 0.000 0.000 0.252 120 D C -0.285 176.026 176.300 0.018 0.000 1.174 120 D CA 0.073 54.083 54.000 0.017 0.000 0.866 120 D CB 0.971 41.779 40.800 0.013 0.000 1.127 120 D HN 0.285 nan 8.370 nan 0.000 0.467 121 R N 3.331 123.845 120.500 0.024 0.000 2.518 121 R HA 0.242 4.582 4.340 0.000 0.000 0.296 121 R C -2.826 173.475 176.300 0.002 0.000 1.080 121 R CA -1.590 54.503 56.100 -0.012 0.000 0.922 121 R CB 2.257 32.543 30.300 -0.023 0.000 1.184 121 R HN 0.203 nan 8.270 nan 0.000 0.445 122 P HA 0.006 nan 4.420 nan 0.000 0.269 122 P C -0.900 176.397 177.300 -0.006 0.000 1.215 122 P CA -0.172 62.936 63.100 0.014 0.000 0.780 122 P CB 1.222 32.938 31.700 0.027 0.000 0.898 123 L N 3.169 124.410 121.223 0.029 0.000 2.341 123 L HA 0.476 4.816 4.340 0.000 0.000 0.278 123 L C -0.904 175.989 176.870 0.038 0.000 1.005 123 L CA -0.926 53.927 54.840 0.022 0.000 0.818 123 L CB 0.959 43.036 42.059 0.030 0.000 1.259 123 L HN 0.223 nan 8.230 nan 0.000 0.418 124 L N 4.538 125.782 121.223 0.034 0.000 2.313 124 L HA 0.378 4.718 4.340 0.000 0.000 0.283 124 L C -0.743 176.186 176.870 0.098 0.000 1.013 124 L CA -0.832 54.046 54.840 0.064 0.000 0.816 124 L CB 1.332 43.423 42.059 0.054 0.000 1.236 124 L HN 0.579 nan 8.230 nan 0.000 0.419 125 H N 5.304 124.375 119.070 0.001 0.000 2.702 125 H HA 0.355 4.912 4.556 0.000 0.000 0.252 125 H C -0.408 174.919 175.328 -0.002 0.000 1.493 125 H CA -0.722 55.323 56.048 -0.005 0.000 1.273 125 H CB -0.015 29.743 29.762 -0.006 0.000 1.537 125 H HN 0.446 nan 8.280 nan 0.000 0.547 126 L N 4.907 126.271 121.223 0.235 0.000 2.559 126 L HA -0.015 4.325 4.340 0.000 0.000 0.282 126 L C 0.086 177.024 176.870 0.115 0.000 1.232 126 L CA 0.648 55.563 54.840 0.126 0.000 0.885 126 L CB 0.131 42.235 42.059 0.076 0.000 1.131 126 L HN 0.395 nan 8.230 nan 0.000 0.498 127 L N 4.780 126.014 121.223 0.019 0.000 2.350 127 L HA 0.529 4.870 4.340 0.000 0.000 0.260 127 L C -1.843 175.022 176.870 -0.008 0.000 1.015 127 L CA -1.572 53.255 54.840 -0.021 0.000 0.821 127 L CB 2.310 44.309 42.059 -0.101 0.000 1.370 127 L HN 0.377 nan 8.230 nan 0.000 0.416 128 P HA -0.011 nan 4.420 nan 0.000 0.214 128 P C -0.040 177.255 177.300 -0.009 0.000 1.110 128 P CA 0.097 63.195 63.100 -0.004 0.000 0.659 128 P CB 0.080 31.779 31.700 -0.001 0.000 0.803 129 A N 0.571 123.385 122.820 -0.010 0.000 2.524 129 A HA 0.328 4.648 4.320 0.000 0.000 0.271 129 A C 1.014 178.588 177.584 -0.016 0.000 1.097 129 A CA 0.379 52.409 52.037 -0.011 0.000 0.791 129 A CB -1.546 17.448 19.000 -0.010 0.000 1.028 129 A HN 0.415 nan 8.150 nan 0.000 0.518 130 G N 2.240 111.032 108.800 -0.014 0.000 2.396 130 G HA2 0.467 4.427 3.960 0.000 0.000 0.292 130 G HA3 0.467 4.427 3.960 0.000 0.000 0.292 130 G C -0.098 174.793 174.900 -0.015 0.000 1.106 130 G CA 0.016 45.106 45.100 -0.016 0.000 1.055 130 G HN 0.895 nan 8.290 nan 0.000 0.424 131 E N 2.064 122.253 120.200 -0.020 0.000 2.883 131 E HA 0.473 4.824 4.350 0.000 0.000 0.355 131 E C 0.081 176.669 176.600 -0.019 0.000 0.939 131 E CA 0.055 56.445 56.400 -0.016 0.000 0.783 131 E CB 0.302 29.994 29.700 -0.012 0.000 1.361 131 E HN 0.924 nan 8.360 nan 0.000 0.413 132 G N 1.970 110.760 108.800 -0.017 0.000 2.591 132 G HA2 0.090 4.050 3.960 0.000 0.000 0.104 132 G HA3 0.090 4.050 3.960 0.000 0.000 0.104 132 G C -0.424 174.468 174.900 -0.014 0.000 1.097 132 G CA -0.129 44.961 45.100 -0.018 0.000 1.076 132 G HN 0.521 nan 8.290 nan 0.000 0.485 133 S N -0.431 115.259 115.700 -0.017 0.000 2.632 133 S HA 0.451 4.921 4.470 0.000 0.000 0.254 133 S C 1.339 175.934 174.600 -0.008 0.000 1.291 133 S CA 0.816 59.010 58.200 -0.010 0.000 0.974 133 S CB -0.112 63.082 63.200 -0.011 0.000 1.016 133 S HN 1.846 nan 8.310 nan 0.000 0.579 134 G N 1.478 110.277 108.800 -0.001 0.000 2.624 134 G HA2 0.346 4.306 3.960 0.000 0.000 0.292 134 G HA3 0.346 4.306 3.960 0.000 0.000 0.292 134 G C -0.176 174.726 174.900 0.002 0.000 0.777 134 G CA -0.010 45.092 45.100 0.003 0.000 1.883 134 G HN 0.511 nan 8.290 nan 0.000 0.505 135 L N 1.171 122.392 121.223 -0.003 0.000 2.657 135 L HA 0.708 5.048 4.340 0.000 0.000 0.240 135 L C 0.571 177.446 176.870 0.007 0.000 1.151 135 L CA -0.775 54.062 54.840 -0.005 0.000 0.831 135 L CB 1.393 43.441 42.059 -0.017 0.000 1.539 135 L HN 0.206 nan 8.230 nan 0.000 0.511 136 T N 0.466 115.026 114.554 0.011 0.000 3.032 136 T HA 0.300 4.651 4.350 0.000 0.000 0.312 136 T C -2.788 171.924 174.700 0.021 0.000 1.078 136 T CA -0.811 61.301 62.100 0.020 0.000 1.028 136 T CB 2.060 70.948 68.868 0.033 0.000 1.091 136 T HN 0.331 nan 8.240 nan 0.000 0.457 137 P HA 0.106 nan 4.420 nan 0.000 0.266 137 P C 0.895 178.212 177.300 0.029 0.000 1.215 137 P CA 0.013 63.124 63.100 0.019 0.000 0.763 137 P CB 0.536 32.245 31.700 0.015 0.000 0.806 138 T N 3.314 117.886 114.554 0.029 0.000 2.721 138 T HA -0.191 4.159 4.350 0.000 0.000 0.268 138 T C 1.773 176.499 174.700 0.044 0.000 1.038 138 T CA 1.300 63.425 62.100 0.040 0.000 1.145 138 T CB -0.471 68.417 68.868 0.033 0.000 0.858 138 T HN 0.206 nan 8.240 nan 0.000 0.459 139 L N 1.318 122.560 121.223 0.031 0.000 2.079 139 L HA -0.103 4.237 4.340 0.000 0.000 0.210 139 L C 2.181 179.068 176.870 0.028 0.000 1.081 139 L CA 1.732 56.588 54.840 0.027 0.000 0.752 139 L CB -0.703 41.366 42.059 0.017 0.000 0.896 139 L HN 0.208 nan 8.230 nan 0.000 0.433 140 D N -1.288 119.129 120.400 0.029 0.000 2.183 140 D HA 0.024 4.664 4.640 0.000 0.000 0.205 140 D C 2.234 178.561 176.300 0.046 0.000 0.962 140 D CA 1.145 55.160 54.000 0.025 0.000 0.849 140 D CB -0.028 40.785 40.800 0.021 0.000 0.978 140 D HN 0.272 nan 8.370 nan 0.000 0.488 141 A N 0.639 123.501 122.820 0.070 0.000 1.902 141 A HA -0.120 4.200 4.320 0.000 0.000 0.217 141 A C 1.586 179.290 177.584 0.199 0.000 1.181 141 A CA 0.984 53.092 52.037 0.119 0.000 0.623 141 A CB -0.335 18.727 19.000 0.103 0.000 0.818 141 A HN 0.147 nan 8.150 nan 0.000 0.443 142 L N -0.294 121.027 121.223 0.163 0.000 2.783 142 L HA 0.339 4.679 4.340 0.000 0.000 0.236 142 L C 2.143 179.068 176.870 0.092 0.000 1.225 142 L CA 0.360 55.333 54.840 0.221 0.000 1.026 142 L CB -1.117 41.038 42.059 0.161 0.000 1.314 142 L HN 0.377 nan 8.230 nan 0.000 0.489 143 A N -0.220 122.603 122.820 0.006 0.000 1.842 143 A HA -0.249 4.071 4.320 0.000 0.000 0.217 143 A C 1.814 179.292 177.584 -0.177 0.000 1.206 143 A CA 2.093 54.085 52.037 -0.076 0.000 0.630 143 A CB -0.457 18.490 19.000 -0.088 0.000 0.839 143 A HN 0.372 nan 8.150 nan 0.000 0.447 144 D N -1.893 118.245 120.400 -0.436 0.000 2.370 144 D HA 0.224 4.864 4.640 0.000 0.000 0.230 144 D C -0.957 174.946 176.300 -0.662 0.000 1.143 144 D CA -0.015 53.646 54.000 -0.566 0.000 0.834 144 D CB -0.221 40.178 40.800 -0.668 0.000 0.944 144 D HN 0.203 nan 8.370 nan 0.000 0.504 145 F N 0.183 120.150 119.950 0.027 0.000 2.622 145 F HA 0.313 4.840 4.527 0.000 0.000 0.338 145 F C -1.564 174.259 175.800 0.038 0.000 1.334 145 F CA -2.200 55.822 58.000 0.037 0.000 1.179 145 F CB 1.478 40.505 39.000 0.044 0.000 1.471 145 F HN -0.128 nan 8.300 nan 0.000 0.576 146 P HA -0.186 nan 4.420 nan 0.000 0.219 146 P C 1.247 178.615 177.300 0.112 0.000 1.150 146 P CA 1.420 64.581 63.100 0.102 0.000 0.814 146 P CB 0.310 32.046 31.700 0.060 0.000 0.787 147 E N 0.915 121.201 120.200 0.143 0.000 2.338 147 E HA -0.099 4.251 4.350 0.000 0.000 0.197 147 E C 1.634 178.328 176.600 0.156 0.000 1.007 147 E CA 1.341 57.829 56.400 0.145 0.000 0.849 147 E CB -0.977 28.820 29.700 0.163 0.000 0.774 147 E HN 0.233 nan 8.360 nan 0.000 0.506 148 A N 0.905 123.817 122.820 0.153 0.000 2.115 148 A HA 0.245 4.566 4.320 0.000 0.000 0.211 148 A C 2.158 179.764 177.584 0.036 0.000 1.169 148 A CA -0.003 52.087 52.037 0.089 0.000 0.787 148 A CB -0.323 18.743 19.000 0.110 0.000 0.858 148 A HN 0.252 nan 8.150 nan 0.000 0.474 149 L N -0.557 120.705 121.223 0.064 0.000 2.072 149 L HA -0.056 4.284 4.340 0.000 0.000 0.205 149 L C 2.692 179.570 176.870 0.014 0.000 1.079 149 L CA 1.190 56.054 54.840 0.041 0.000 0.752 149 L CB -0.274 41.817 42.059 0.053 0.000 0.906 149 L HN 0.383 nan 8.230 nan 0.000 0.436 150 A N -0.368 122.463 122.820 0.018 0.000 2.178 150 A HA -0.134 4.186 4.320 0.000 0.000 0.218 150 A C 2.030 179.602 177.584 -0.021 0.000 1.157 150 A CA 1.049 53.089 52.037 0.005 0.000 0.689 150 A CB -0.580 18.431 19.000 0.018 0.000 0.787 150 A HN 0.520 nan 8.150 nan 0.000 0.465 151 L N -1.197 119.996 121.223 -0.050 0.000 2.270 151 L HA 0.114 4.454 4.340 0.000 0.000 0.210 151 L C 0.733 177.560 176.870 -0.070 0.000 1.104 151 L CA 0.231 55.014 54.840 -0.096 0.000 0.804 151 L CB -0.453 41.487 42.059 -0.198 0.000 0.937 151 L HN 0.417 nan 8.230 nan 0.000 0.450 152 L N -3.569 117.627 121.223 -0.046 0.000 2.211 152 L HA 0.556 4.897 4.340 0.000 0.000 0.259 152 L C -0.610 176.251 176.870 -0.015 0.000 1.031 152 L CA -0.920 53.902 54.840 -0.031 0.000 0.877 152 L CB 0.786 42.830 42.059 -0.026 0.000 1.457 152 L HN -0.283 nan 8.230 nan 0.000 0.466 153 D N -0.315 120.079 120.400 -0.010 0.000 2.461 153 D HA 0.307 4.947 4.640 0.000 0.000 0.240 153 D C -2.095 174.205 176.300 0.001 0.000 1.094 153 D CA -1.742 52.255 54.000 -0.004 0.000 0.868 153 D CB 2.168 42.965 40.800 -0.005 0.000 1.062 153 D HN 0.205 nan 8.370 nan 0.000 0.530 154 P HA -0.177 nan 4.420 nan 0.000 0.217 154 P C 1.012 178.316 177.300 0.006 0.000 1.148 154 P CA 1.353 64.458 63.100 0.008 0.000 0.834 154 P CB 0.357 32.063 31.700 0.010 0.000 0.783 155 A N -0.196 122.627 122.820 0.004 0.000 1.897 155 A HA -0.153 4.167 4.320 0.000 0.000 0.215 155 A C 2.100 179.686 177.584 0.002 0.000 1.181 155 A CA 1.229 53.268 52.037 0.003 0.000 0.620 155 A CB -0.807 18.194 19.000 0.001 0.000 0.821 155 A HN 0.141 nan 8.150 nan 0.000 0.443 156 R N -1.151 119.349 120.500 0.001 0.000 2.275 156 R HA 0.270 4.610 4.340 0.000 0.000 0.199 156 R C -0.351 175.951 176.300 0.004 0.000 0.989 156 R CA 0.443 56.544 56.100 0.001 0.000 1.016 156 R CB -0.062 30.238 30.300 -0.000 0.000 0.918 156 R HN 0.368 nan 8.270 nan 0.000 0.473 157 L N 1.309 122.536 121.223 0.005 0.000 2.574 157 L HA 0.234 4.574 4.340 0.000 0.000 0.258 157 L C -1.866 175.010 176.870 0.010 0.000 1.520 157 L CA -1.215 53.630 54.840 0.010 0.000 0.775 157 L CB 1.832 43.899 42.059 0.013 0.000 1.028 157 L HN -0.104 nan 8.230 nan 0.000 0.516 158 P HA -0.099 nan 4.420 nan 0.000 0.216 158 P C 0.601 177.907 177.300 0.009 0.000 1.153 158 P CA 1.208 64.313 63.100 0.007 0.000 0.848 158 P CB 0.374 32.076 31.700 0.003 0.000 0.787 159 V N -3.783 116.133 119.914 0.004 0.000 3.096 159 V HA 0.935 5.055 4.120 0.000 0.000 0.319 159 V C -0.547 175.548 176.094 0.001 0.000 1.103 159 V CA -1.097 61.204 62.300 0.001 0.000 1.016 159 V CB 1.209 33.026 31.823 -0.010 0.000 1.090 159 V HN 0.265 nan 8.190 nan 0.000 0.449 160 A N 1.853 124.675 122.820 0.003 0.000 2.599 160 A HA 0.887 5.208 4.320 0.000 0.000 0.290 160 A C -0.837 176.748 177.584 0.002 0.000 1.101 160 A CA -0.937 51.105 52.037 0.009 0.000 0.674 160 A CB 1.807 20.833 19.000 0.044 0.000 1.277 160 A HN 1.168 nan 8.150 nan 0.000 0.419 161 R N 0.890 121.395 120.500 0.009 0.000 2.247 161 R HA 0.570 4.910 4.340 0.000 0.000 0.329 161 R C -1.370 174.966 176.300 0.060 0.000 1.014 161 R CA -0.121 55.989 56.100 0.017 0.000 0.907 161 R CB 0.548 30.839 30.300 -0.014 0.000 1.146 161 R HN 0.532 nan 8.270 nan 0.000 0.499 162 V N 3.656 123.602 119.914 0.054 0.000 2.649 162 V HA 0.205 4.325 4.120 0.000 0.000 0.292 162 V C -0.106 176.028 176.094 0.066 0.000 1.055 162 V CA -0.302 62.037 62.300 0.064 0.000 1.023 162 V CB 1.437 33.300 31.823 0.066 0.000 0.992 162 V HN 0.734 nan 8.190 nan 0.000 0.480 163 D N 5.115 125.558 120.400 0.072 0.000 2.420 163 D HA 0.404 5.044 4.640 0.000 0.000 0.255 163 D C -2.086 174.271 176.300 0.094 0.000 1.185 163 D CA -2.129 51.922 54.000 0.084 0.000 0.904 163 D CB 2.231 43.083 40.800 0.085 0.000 1.102 163 D HN 0.157 nan 8.370 nan 0.000 0.534 164 P HA 0.042 nan 4.420 nan 0.000 0.230 164 P C 0.637 177.995 177.300 0.096 0.000 1.158 164 P CA 0.633 63.785 63.100 0.087 0.000 0.769 164 P CB 0.279 32.024 31.700 0.076 0.000 0.807 165 R N -0.854 119.726 120.500 0.134 0.000 2.359 165 R HA 0.374 4.714 4.340 0.000 0.000 0.231 165 R C 0.666 177.113 176.300 0.246 0.000 0.913 165 R CA -0.325 55.868 56.100 0.156 0.000 1.075 165 R CB 0.142 30.556 30.300 0.190 0.000 1.087 165 R HN 0.093 nan 8.270 nan 0.000 0.515 166 A N 1.459 124.418 122.820 0.231 0.000 2.445 166 A HA 0.394 4.714 4.320 0.000 0.000 0.242 166 A C -0.117 177.597 177.584 0.217 0.000 1.075 166 A CA 0.152 52.356 52.037 0.279 0.000 0.777 166 A CB 0.341 19.436 19.000 0.159 0.000 1.013 166 A HN 0.209 nan 8.150 nan 0.000 0.493 167 L N 0.887 122.280 121.223 0.282 0.000 2.371 167 L HA 0.643 4.983 4.340 0.000 0.000 0.262 167 L C -0.016 176.989 176.870 0.224 0.000 1.006 167 L CA -0.735 54.227 54.840 0.202 0.000 0.818 167 L CB 2.759 44.915 42.059 0.161 0.000 1.354 167 L HN 0.845 nan 8.230 nan 0.000 0.415 168 T N -1.286 113.363 114.554 0.158 0.000 2.863 168 T HA 0.787 5.137 4.350 0.000 0.000 0.285 168 T C -0.901 173.906 174.700 0.179 0.000 1.009 168 T CA -0.691 61.468 62.100 0.099 0.000 0.989 168 T CB 1.740 70.612 68.868 0.007 0.000 1.004 168 T HN 0.594 nan 8.240 nan 0.000 0.455 169 Y N -0.770 119.532 120.300 0.003 0.000 2.725 169 Y HA 0.763 5.313 4.550 0.000 0.000 0.333 169 Y C -1.235 174.651 175.900 -0.023 0.000 1.242 169 Y CA -1.710 56.381 58.100 -0.015 0.000 1.059 169 Y CB 1.118 39.570 38.460 -0.013 0.000 1.306 169 Y HN 0.454 nan 8.280 nan 0.000 0.454 170 R N 1.818 122.387 120.500 0.114 0.000 2.198 170 R HA 0.316 4.656 4.340 0.000 0.000 0.339 170 R C -2.428 173.936 176.300 0.107 0.000 1.020 170 R CA -2.581 53.514 56.100 -0.007 0.000 0.864 170 R CB 1.063 31.359 30.300 -0.006 0.000 1.105 170 R HN 0.548 nan 8.270 nan 0.000 0.463 171 P HA -0.124 nan 4.420 nan 0.000 0.218 171 P C 1.298 178.637 177.300 0.065 0.000 1.148 171 P CA 1.228 64.395 63.100 0.111 0.000 0.822 171 P CB 0.336 32.029 31.700 -0.011 0.000 0.784 172 G N -0.654 108.146 108.800 0.000 0.000 2.446 172 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 172 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 172 G C 1.706 176.603 174.900 -0.004 0.000 1.168 172 G CA 0.969 46.061 45.100 -0.014 0.000 0.771 172 G HN 0.198 nan 8.290 nan 0.000 0.551 173 S N 0.167 115.872 115.700 0.008 0.000 2.382 173 S HA -0.084 4.386 4.470 0.000 0.000 0.228 173 S C 2.152 176.742 174.600 -0.017 0.000 1.027 173 S CA 1.044 59.241 58.200 -0.005 0.000 0.991 173 S CB -0.250 62.952 63.200 0.004 0.000 0.823 173 S HN 0.267 nan 8.310 nan 0.000 0.469 174 L N 2.170 123.407 121.223 0.024 0.000 1.994 174 L HA -0.019 4.321 4.340 0.000 0.000 0.208 174 L C 2.354 179.191 176.870 -0.055 0.000 1.071 174 L CA 2.084 56.912 54.840 -0.020 0.000 0.745 174 L CB -1.293 40.799 42.059 0.055 0.000 0.892 174 L HN 0.227 nan 8.230 nan 0.000 0.431 175 A N -0.549 122.263 122.820 -0.013 0.000 1.865 175 A HA -0.226 4.094 4.320 0.000 0.000 0.217 175 A C 2.283 179.834 177.584 -0.056 0.000 1.191 175 A CA 2.055 54.077 52.037 -0.026 0.000 0.623 175 A CB -1.204 17.797 19.000 0.001 0.000 0.826 175 A HN 0.508 nan 8.150 nan 0.000 0.444 176 L N -0.574 120.619 121.223 -0.049 0.000 2.013 176 L HA -0.179 4.161 4.340 0.000 0.000 0.212 176 L C 2.318 179.134 176.870 -0.091 0.000 1.073 176 L CA 2.340 57.146 54.840 -0.056 0.000 0.753 176 L CB -0.702 41.329 42.059 -0.046 0.000 0.890 176 L HN 0.415 nan 8.230 nan 0.000 0.432 177 L N -0.105 121.047 121.223 -0.119 0.000 2.012 177 L HA -0.157 4.183 4.340 0.000 0.000 0.210 177 L C 2.466 179.171 176.870 -0.276 0.000 1.073 177 L CA 2.295 57.028 54.840 -0.179 0.000 0.748 177 L CB -1.244 40.697 42.059 -0.197 0.000 0.891 177 L HN 0.292 nan 8.230 nan 0.000 0.431 178 A N -0.482 122.159 122.820 -0.298 0.000 1.877 178 A HA -0.045 4.275 4.320 0.000 0.000 0.216 178 A C 2.464 179.934 177.584 -0.191 0.000 1.186 178 A CA 1.922 53.719 52.037 -0.400 0.000 0.620 178 A CB -1.251 17.585 19.000 -0.275 0.000 0.822 178 A HN 0.622 nan 8.150 nan 0.000 0.443 179 A N -0.678 122.082 122.820 -0.101 0.000 1.858 179 A HA -0.223 4.097 4.320 0.000 0.000 0.216 179 A C 2.134 179.699 177.584 -0.032 0.000 1.190 179 A CA 1.711 53.726 52.037 -0.038 0.000 0.617 179 A CB -0.715 18.268 19.000 -0.028 0.000 0.827 179 A HN 0.640 nan 8.150 nan 0.000 0.443 180 Q N -0.965 118.800 119.800 -0.059 0.000 2.029 180 Q HA -0.261 4.079 4.340 0.000 0.000 0.209 180 Q C 2.373 178.360 176.000 -0.022 0.000 0.999 180 Q CA 1.749 57.526 55.803 -0.043 0.000 0.857 180 Q CB -0.276 28.425 28.738 -0.061 0.000 0.926 180 Q HN 0.590 nan 8.270 nan 0.000 0.415 181 Q N -0.251 119.514 119.800 -0.059 0.000 2.135 181 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 181 Q C 2.028 178.134 176.000 0.176 0.000 0.981 181 Q CA 1.558 57.376 55.803 0.025 0.000 0.856 181 Q CB -0.434 28.218 28.738 -0.143 0.000 0.902 181 Q HN 0.421 nan 8.270 nan 0.000 0.425 182 A N 0.486 123.416 122.820 0.183 0.000 1.898 182 A HA -0.128 4.192 4.320 0.000 0.000 0.216 182 A C 2.174 179.814 177.584 0.094 0.000 1.181 182 A CA 1.073 53.221 52.037 0.184 0.000 0.620 182 A CB -0.580 18.508 19.000 0.146 0.000 0.819 182 A HN 0.321 nan 8.150 nan 0.000 0.442 183 I N -0.319 120.286 120.570 0.059 0.000 2.315 183 I HA -0.152 4.018 4.170 0.000 0.000 0.248 183 I C 2.509 178.650 176.117 0.041 0.000 1.117 183 I CA 1.085 62.408 61.300 0.038 0.000 1.404 183 I CB -0.409 37.603 38.000 0.020 0.000 1.071 183 I HN 0.384 nan 8.210 nan 0.000 0.419 184 G N -0.184 108.643 108.800 0.045 0.000 2.679 184 G HA2 -0.125 3.835 3.960 0.000 0.000 0.212 184 G HA3 -0.125 3.835 3.960 0.000 0.000 0.212 184 G C 1.296 176.227 174.900 0.051 0.000 1.137 184 G CA 0.237 45.362 45.100 0.041 0.000 0.787 184 G HN 0.278 nan 8.290 nan 0.000 0.534 185 Q N -0.264 119.575 119.800 0.064 0.000 2.188 185 Q HA 0.241 4.581 4.340 0.000 0.000 0.212 185 Q C 1.312 177.339 176.000 0.045 0.000 0.846 185 Q CA 0.318 56.154 55.803 0.056 0.000 0.989 185 Q CB 0.706 29.482 28.738 0.064 0.000 1.114 185 Q HN 0.461 nan 8.270 nan 0.000 0.488 186 G N 0.841 109.667 108.800 0.045 0.000 2.132 186 G HA2 -0.248 3.712 3.960 0.000 0.000 0.228 186 G HA3 -0.248 3.712 3.960 0.000 0.000 0.228 186 G C 0.222 175.154 174.900 0.054 0.000 1.000 186 G CA 0.084 45.212 45.100 0.046 0.000 0.693 186 G HN 0.515 nan 8.290 nan 0.000 0.515 187 A N 0.297 123.146 122.820 0.049 0.000 2.366 187 A HA 0.746 5.066 4.320 0.000 0.000 0.272 187 A C 1.174 178.779 177.584 0.035 0.000 1.135 187 A CA 0.694 52.757 52.037 0.044 0.000 0.804 187 A CB 0.571 19.594 19.000 0.039 0.000 1.064 187 A HN 1.790 nan 8.150 nan 0.000 0.499 188 G N 1.002 109.821 108.800 0.032 0.000 2.491 188 G HA2 0.463 4.423 3.960 0.000 0.000 0.242 188 G HA3 0.463 4.423 3.960 0.000 0.000 0.242 188 G C -0.365 174.513 174.900 -0.036 0.000 1.266 188 G CA -0.252 44.855 45.100 0.011 0.000 0.844 188 G HN 0.760 nan 8.290 nan 0.000 0.571 189 L N 2.207 123.414 121.223 -0.027 0.000 2.410 189 L HA 0.685 5.025 4.340 0.000 0.000 0.270 189 L C -1.687 175.161 176.870 -0.036 0.000 0.983 189 L CA -0.856 53.965 54.840 -0.032 0.000 0.822 189 L CB 1.827 43.880 42.059 -0.010 0.000 1.285 189 L HN 0.405 nan 8.230 nan 0.000 0.409 190 L N 5.407 126.602 121.223 -0.046 0.000 2.404 190 L HA 0.572 4.912 4.340 0.000 0.000 0.272 190 L C -0.687 176.170 176.870 -0.022 0.000 0.980 190 L CA 0.020 54.837 54.840 -0.037 0.000 0.836 190 L CB 1.805 43.827 42.059 -0.062 0.000 1.238 190 L HN 0.543 nan 8.230 nan 0.000 0.408 191 L N 3.115 124.332 121.223 -0.009 0.000 2.347 191 L HA 0.517 4.857 4.340 0.000 0.000 0.268 191 L C 0.550 177.423 176.870 0.005 0.000 1.019 191 L CA -1.151 53.688 54.840 -0.002 0.000 0.806 191 L CB 0.823 42.881 42.059 -0.001 0.000 1.339 191 L HN 0.655 nan 8.230 nan 0.000 0.463 192 N N -0.859 117.847 118.700 0.009 0.000 2.708 192 N HA -0.175 4.565 4.740 0.000 0.000 0.251 192 N C -1.128 174.396 175.510 0.024 0.000 1.017 192 N CA 0.855 53.915 53.050 0.016 0.000 0.742 192 N CB -1.122 37.374 38.487 0.016 0.000 0.943 192 N HN 0.600 nan 8.380 nan 0.000 0.539 193 T N -0.294 114.275 114.554 0.024 0.000 2.879 193 T HA 0.334 4.684 4.350 0.000 0.000 0.290 193 T C -0.059 174.670 174.700 0.048 0.000 0.993 193 T CA -0.775 61.348 62.100 0.038 0.000 0.975 193 T CB 2.101 70.980 68.868 0.019 0.000 0.981 193 T HN 0.229 nan 8.240 nan 0.000 0.439 194 R N 2.178 122.727 120.500 0.083 0.000 2.254 194 R HA 0.687 5.027 4.340 0.000 0.000 0.318 194 R C -0.294 176.091 176.300 0.142 0.000 1.031 194 R CA -0.428 55.719 56.100 0.079 0.000 0.905 194 R CB 0.449 30.773 30.300 0.040 0.000 1.050 194 R HN 0.777 nan 8.270 nan 0.000 0.456 195 A N 3.828 126.700 122.820 0.088 0.000 2.310 195 A HA 0.289 4.609 4.320 0.000 0.000 0.299 195 A C -0.732 176.911 177.584 0.100 0.000 1.147 195 A CA -0.512 51.581 52.037 0.093 0.000 0.818 195 A CB 0.940 19.964 19.000 0.040 0.000 1.096 195 A HN 0.848 nan 8.150 nan 0.000 0.495 196 E N 2.690 122.969 120.200 0.132 0.000 2.224 196 E HA 0.475 4.825 4.350 0.000 0.000 0.265 196 E C -1.478 175.167 176.600 0.076 0.000 0.878 196 E CA -0.523 55.945 56.400 0.113 0.000 0.759 196 E CB 1.056 30.887 29.700 0.219 0.000 1.164 196 E HN 0.674 nan 8.360 nan 0.000 0.414 197 L N 4.661 125.912 121.223 0.047 0.000 2.360 197 L HA 0.313 4.653 4.340 0.000 0.000 0.276 197 L C 0.097 176.985 176.870 0.029 0.000 1.121 197 L CA -0.514 54.345 54.840 0.032 0.000 0.845 197 L CB 0.766 42.837 42.059 0.020 0.000 1.143 197 L HN 0.384 nan 8.230 nan 0.000 0.452 198 V N 1.750 121.679 119.914 0.026 0.000 3.001 198 V HA 0.616 4.737 4.120 0.000 0.000 0.314 198 V C -2.474 173.627 176.094 0.013 0.000 1.099 198 V CA -2.462 59.851 62.300 0.020 0.000 0.989 198 V CB 1.604 33.441 31.823 0.023 0.000 1.040 198 V HN 0.570 nan 8.190 nan 0.000 0.434 199 P HA 0.227 nan 4.420 nan 0.000 0.260 199 P C 0.916 178.220 177.300 0.008 0.000 1.207 199 P CA 1.749 64.851 63.100 0.004 0.000 0.780 199 P CB 0.535 32.236 31.700 0.002 0.000 0.789 200 G N 2.487 111.293 108.800 0.009 0.000 2.345 200 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 200 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 200 G C 0.319 175.234 174.900 0.024 0.000 1.058 200 G CA 0.049 45.158 45.100 0.014 0.000 0.632 200 G HN 0.910 nan 8.290 nan 0.000 0.508 201 G N -1.538 107.277 108.800 0.025 0.000 2.896 201 G HA2 0.722 4.682 3.960 0.000 0.000 0.247 201 G HA3 0.722 4.682 3.960 0.000 0.000 0.247 201 G C -1.360 173.559 174.900 0.032 0.000 1.187 201 G CA 0.488 45.610 45.100 0.036 0.000 0.837 201 G HN 1.204 nan 8.290 nan 0.000 0.559 202 V N -0.002 119.931 119.914 0.032 0.000 2.962 202 V HA 0.715 4.835 4.120 0.000 0.000 0.313 202 V C -0.474 175.626 176.094 0.010 0.000 1.099 202 V CA -0.878 61.437 62.300 0.025 0.000 0.971 202 V CB 2.001 33.834 31.823 0.017 0.000 1.028 202 V HN 0.777 nan 8.190 nan 0.000 0.430 203 R N 2.667 123.173 120.500 0.010 0.000 2.393 203 R HA 0.699 5.039 4.340 0.000 0.000 0.315 203 R C -1.716 174.530 176.300 -0.090 0.000 0.952 203 R CA -0.601 55.465 56.100 -0.056 0.000 0.842 203 R CB 1.111 31.395 30.300 -0.027 0.000 1.163 203 R HN 0.731 nan 8.270 nan 0.000 0.450 204 L N 4.910 126.029 121.223 -0.173 0.000 2.272 204 L HA 0.421 4.761 4.340 0.000 0.000 0.289 204 L C -0.651 176.058 176.870 -0.268 0.000 1.032 204 L CA -0.907 53.860 54.840 -0.122 0.000 0.810 204 L CB 1.401 43.421 42.059 -0.065 0.000 1.205 204 L HN 0.640 nan 8.230 nan 0.000 0.422 205 H N 2.527 121.599 119.070 0.003 0.000 2.457 205 H HA 0.686 5.243 4.556 0.000 0.000 0.335 205 H C -0.434 174.905 175.328 0.018 0.000 1.115 205 H CA -0.605 55.452 56.048 0.014 0.000 1.219 205 H CB 1.495 31.275 29.762 0.030 0.000 1.471 205 H HN 0.493 nan 8.280 nan 0.000 0.491 206 R N 1.480 122.048 120.500 0.115 0.000 3.176 206 R HA 0.686 5.026 4.340 0.000 0.000 0.247 206 R C -1.245 175.110 176.300 0.092 0.000 1.382 206 R CA -1.099 55.049 56.100 0.080 0.000 1.040 206 R CB 1.653 31.977 30.300 0.039 0.000 1.426 206 R HN 0.357 nan 8.270 nan 0.000 0.485 207 L N 0.452 121.714 121.223 0.065 0.000 2.562 207 L HA 0.296 4.636 4.340 0.000 0.000 0.266 207 L C -0.391 176.506 176.870 0.045 0.000 0.949 207 L CA -0.527 54.352 54.840 0.064 0.000 0.879 207 L CB 2.248 44.339 42.059 0.053 0.000 1.278 207 L HN 0.642 nan 8.230 nan 0.000 0.404 217 V N 4.751 124.702 119.914 0.062 0.000 3.098 217 V HA 0.569 4.689 4.120 0.000 0.000 0.294 217 V C -0.455 175.755 176.094 0.194 0.000 1.351 217 V CA -0.428 61.940 62.300 0.112 0.000 0.999 217 V CB 2.402 34.306 31.823 0.135 0.000 1.104 217 V HN 1.162 nan 8.190 nan 0.000 0.438 218 H N 3.039 122.127 119.070 0.031 0.000 2.757 218 H HA 0.633 5.189 4.556 0.000 0.000 0.370 218 H C -0.570 174.777 175.328 0.032 0.000 1.172 218 H CA -0.324 55.751 56.048 0.045 0.000 1.426 218 H CB 0.948 30.753 29.762 0.070 0.000 1.438 218 H HN 0.636 nan 8.280 nan 0.000 0.612 219 E N 1.820 122.031 120.200 0.018 0.000 2.621 219 E HA 0.136 4.486 4.350 0.000 0.000 0.263 219 E C -1.108 175.401 176.600 -0.151 0.000 1.033 219 E CA -0.530 55.812 56.400 -0.096 0.000 0.778 219 E CB 1.718 31.400 29.700 -0.030 0.000 1.426 219 E HN 0.595 nan 8.360 nan 0.000 0.394 220 T N 2.438 116.839 114.554 -0.256 0.000 2.884 220 T HA 0.311 4.661 4.350 0.000 0.000 0.298 220 T C -0.065 174.505 174.700 -0.216 0.000 0.998 220 T CA -0.040 61.867 62.100 -0.321 0.000 1.124 220 T CB 0.635 69.321 68.868 -0.303 0.000 0.931 220 T HN 0.286 nan 8.240 nan 0.000 0.531 221 R N 2.718 123.091 120.500 -0.210 0.000 2.518 221 R HA 0.198 4.538 4.340 0.000 0.000 0.287 221 R C -1.009 175.237 176.300 -0.089 0.000 1.135 221 R CA -0.560 55.472 56.100 -0.114 0.000 0.967 221 R CB 1.065 31.322 30.300 -0.073 0.000 1.212 221 R HN 0.649 nan 8.270 nan 0.000 0.422 222 Q N 4.178 123.944 119.800 -0.057 0.000 2.260 222 Q HA 0.552 4.892 4.340 0.000 0.000 0.238 222 Q C 0.009 176.020 176.000 0.017 0.000 0.948 222 Q CA -0.612 55.177 55.803 -0.025 0.000 0.895 222 Q CB 1.911 30.637 28.738 -0.018 0.000 1.218 222 Q HN 0.631 nan 8.270 nan 0.000 0.470 223 I N -2.377 118.220 120.570 0.044 0.000 2.722 223 I HA 0.497 4.667 4.170 0.000 0.000 0.292 223 I C -0.901 175.276 176.117 0.100 0.000 1.267 223 I CA -1.114 60.247 61.300 0.102 0.000 1.036 223 I CB 1.959 40.074 38.000 0.192 0.000 1.281 223 I HN 0.397 nan 8.210 nan 0.000 0.423 224 R N 3.284 123.839 120.500 0.092 0.000 2.582 224 R HA 0.809 5.149 4.340 0.000 0.000 0.271 224 R C -0.394 175.979 176.300 0.121 0.000 1.078 224 R CA -0.377 55.767 56.100 0.074 0.000 1.127 224 R CB 1.527 31.850 30.300 0.038 0.000 1.038 224 R HN 0.881 nan 8.270 nan 0.000 0.500 225 A N 0.316 123.192 122.820 0.094 0.000 2.488 225 A HA 0.452 4.772 4.320 0.000 0.000 0.295 225 A C 0.439 178.067 177.584 0.074 0.000 1.045 225 A CA -0.450 51.654 52.037 0.110 0.000 0.703 225 A CB 1.694 20.758 19.000 0.106 0.000 1.271 225 A HN 0.796 nan 8.150 nan 0.000 0.400 226 G N 0.269 109.113 108.800 0.074 0.000 2.430 226 G HA2 0.371 4.331 3.960 0.000 0.000 0.216 226 G HA3 0.371 4.331 3.960 0.000 0.000 0.216 226 G C 0.238 175.175 174.900 0.062 0.000 1.146 226 G CA 1.247 46.380 45.100 0.055 0.000 0.793 226 G HN 1.081 nan 8.290 nan 0.000 0.537 227 V N 0.776 120.737 119.914 0.079 0.000 2.686 227 V HA 0.493 4.613 4.120 0.000 0.000 0.306 227 V C -0.999 175.154 176.094 0.097 0.000 1.065 227 V CA -0.699 61.660 62.300 0.099 0.000 0.894 227 V CB 2.202 34.094 31.823 0.115 0.000 1.004 227 V HN 0.110 nan 8.190 nan 0.000 0.424 228 I N 5.296 125.928 120.570 0.104 0.000 2.410 228 I HA 0.494 4.664 4.170 0.000 0.000 0.286 228 I C -0.741 175.447 176.117 0.118 0.000 1.009 228 I CA -0.336 61.014 61.300 0.084 0.000 1.111 228 I CB 1.859 39.890 38.000 0.051 0.000 1.262 228 I HN 0.442 nan 8.210 nan 0.000 0.443 229 I N 6.888 127.518 120.570 0.100 0.000 2.312 229 I HA 0.225 4.395 4.170 0.000 0.000 0.290 229 I C -0.119 176.040 176.117 0.070 0.000 1.008 229 I CA -0.738 60.626 61.300 0.106 0.000 1.226 229 I CB 1.606 39.647 38.000 0.068 0.000 1.371 229 I HN 0.213 nan 8.210 nan 0.000 0.468 230 V N 6.919 126.877 119.914 0.074 0.000 2.299 230 V HA 0.235 4.355 4.120 0.000 0.000 0.255 230 V C 0.924 177.045 176.094 0.045 0.000 1.100 230 V CA -0.106 62.225 62.300 0.051 0.000 0.938 230 V CB 0.689 32.540 31.823 0.046 0.000 1.139 230 V HN 0.873 nan 8.190 nan 0.000 0.490 231 A N 3.937 126.781 122.820 0.040 0.000 3.106 231 A HA 0.664 4.984 4.320 0.000 0.000 0.306 231 A C 1.440 179.045 177.584 0.035 0.000 1.192 231 A CA 0.334 52.395 52.037 0.040 0.000 0.994 231 A CB 0.243 19.271 19.000 0.046 0.000 1.107 231 A HN 0.872 nan 8.150 nan 0.000 0.585 232 A N -0.473 122.365 122.820 0.030 0.000 2.302 232 A HA 0.489 4.809 4.320 0.000 0.000 0.219 232 A C 1.564 179.168 177.584 0.035 0.000 1.243 232 A CA 0.975 53.029 52.037 0.028 0.000 0.856 232 A CB -0.978 18.034 19.000 0.020 0.000 0.893 232 A HN 2.073 nan 8.150 nan 0.000 0.491 233 G N -0.586 108.237 108.800 0.039 0.000 2.566 233 G HA2 -0.068 3.892 3.960 0.000 0.000 0.280 233 G HA3 -0.068 3.892 3.960 0.000 0.000 0.280 233 G C 1.347 176.277 174.900 0.050 0.000 1.225 233 G CA 0.809 45.939 45.100 0.051 0.000 0.966 233 G HN 1.469 nan 8.290 nan 0.000 0.560 234 A N -0.595 122.274 122.820 0.082 0.000 2.032 234 A HA 0.262 4.582 4.320 0.000 0.000 0.221 234 A C 2.765 180.364 177.584 0.026 0.000 1.165 234 A CA 3.194 55.284 52.037 0.088 0.000 0.645 234 A CB -0.753 18.354 19.000 0.178 0.000 0.807 234 A HN 2.316 nan 8.150 nan 0.000 0.453 235 A N -0.844 121.980 122.820 0.008 0.000 2.251 235 A HA 0.388 4.708 4.320 0.000 0.000 0.209 235 A C 2.044 179.627 177.584 -0.001 0.000 1.187 235 A CA 1.056 53.077 52.037 -0.027 0.000 0.823 235 A CB -0.844 18.135 19.000 -0.035 0.000 0.846 235 A HN 0.594 nan 8.150 nan 0.000 0.486 236 G N 1.146 109.956 108.800 0.017 0.000 2.421 236 G HA2 -0.131 3.829 3.960 0.000 0.000 0.216 236 G HA3 -0.131 3.829 3.960 0.000 0.000 0.216 236 G C -0.265 174.662 174.900 0.045 0.000 1.171 236 G CA 1.150 46.266 45.100 0.026 0.000 0.775 236 G HN 0.465 nan 8.290 nan 0.000 0.543 237 P HA -0.066 nan 4.420 nan 0.000 0.215 237 P C 2.269 179.615 177.300 0.077 0.000 1.157 237 P CA 2.145 65.315 63.100 0.117 0.000 0.868 237 P CB -0.138 31.660 31.700 0.163 0.000 0.788 238 A N -0.872 121.977 122.820 0.047 0.000 1.898 238 A HA -0.178 4.142 4.320 0.000 0.000 0.216 238 A C 2.142 179.740 177.584 0.024 0.000 1.181 238 A CA 1.365 53.424 52.037 0.036 0.000 0.620 238 A CB -1.712 17.288 19.000 0.001 0.000 0.819 238 A HN 0.124 nan 8.150 nan 0.000 0.442 239 L N 0.657 121.889 121.223 0.015 0.000 1.978 239 L HA -0.232 4.108 4.340 0.000 0.000 0.218 239 L C 2.594 179.472 176.870 0.014 0.000 1.075 239 L CA 2.882 57.729 54.840 0.012 0.000 0.767 239 L CB -0.635 41.432 42.059 0.014 0.000 0.890 239 L HN 0.440 nan 8.230 nan 0.000 0.434 240 V N -3.052 116.873 119.914 0.019 0.000 2.626 240 V HA -0.152 3.968 4.120 0.000 0.000 0.252 240 V C 2.375 178.460 176.094 -0.015 0.000 1.067 240 V CA 1.665 63.969 62.300 0.006 0.000 1.081 240 V CB -0.917 30.915 31.823 0.015 0.000 0.686 240 V HN 0.615 nan 8.190 nan 0.000 0.468 241 E N 1.611 121.811 120.200 0.000 0.000 2.016 241 E HA -0.196 4.154 4.350 0.000 0.000 0.190 241 E C 2.245 178.838 176.600 -0.013 0.000 0.985 241 E CA 1.948 58.340 56.400 -0.014 0.000 0.802 241 E CB -0.583 29.146 29.700 0.048 0.000 0.762 241 E HN 0.754 nan 8.360 nan 0.000 0.448 242 Q N -0.738 119.069 119.800 0.011 0.000 2.369 242 Q HA 0.079 4.419 4.340 0.000 0.000 0.206 242 Q C 1.869 177.871 176.000 0.003 0.000 0.963 242 Q CA 0.943 56.752 55.803 0.011 0.000 0.894 242 Q CB 0.222 28.970 28.738 0.017 0.000 0.965 242 Q HN 0.417 nan 8.270 nan 0.000 0.475 243 G N 0.054 108.853 108.800 -0.001 0.000 2.576 243 G HA2 0.065 4.025 3.960 0.000 0.000 0.210 243 G HA3 0.065 4.025 3.960 0.000 0.000 0.210 243 G C 1.076 175.971 174.900 -0.009 0.000 1.143 243 G CA -0.000 45.101 45.100 0.002 0.000 0.819 243 G HN 0.172 nan 8.290 nan 0.000 0.534 244 L N -0.147 121.059 121.223 -0.028 0.000 3.135 244 L HA 0.351 4.691 4.340 0.000 0.000 0.279 244 L C 1.595 178.413 176.870 -0.086 0.000 1.200 244 L CA 0.247 55.061 54.840 -0.044 0.000 1.016 244 L CB 0.927 42.963 42.059 -0.039 0.000 1.391 244 L HN 0.269 nan 8.230 nan 0.000 0.588 245 G N 1.335 110.068 108.800 -0.113 0.000 2.203 245 G HA2 -0.294 3.666 3.960 0.000 0.000 0.263 245 G HA3 -0.294 3.666 3.960 0.000 0.000 0.263 245 G C 0.174 174.817 174.900 -0.429 0.000 1.012 245 G CA 0.116 45.083 45.100 -0.223 0.000 0.749 245 G HN 0.267 nan 8.290 nan 0.000 0.512 246 L N 2.112 123.165 121.223 -0.283 0.000 2.295 246 L HA 0.346 4.687 4.340 0.000 0.000 0.288 246 L C 0.605 177.341 176.870 -0.223 0.000 1.079 246 L CA -1.037 53.657 54.840 -0.244 0.000 0.830 246 L CB 0.379 42.380 42.059 -0.097 0.000 1.200 246 L HN 0.151 nan 8.230 nan 0.000 0.438 247 H N 2.123 121.193 119.070 0.000 0.000 2.582 247 H HA 0.425 4.981 4.556 0.000 0.000 0.345 247 H C 0.318 175.629 175.328 -0.029 0.000 1.104 247 H CA -0.160 55.883 56.048 -0.008 0.000 1.390 247 H CB 1.441 31.194 29.762 -0.015 0.000 1.461 247 H HN 0.600 nan 8.280 nan 0.000 0.551 248 T N -0.892 113.707 114.554 0.076 0.000 2.841 248 T HA 0.437 4.788 4.350 0.000 0.000 0.296 248 T C 0.753 175.371 174.700 -0.137 0.000 1.166 248 T CA -1.169 60.874 62.100 -0.095 0.000 1.007 248 T CB 2.087 70.874 68.868 -0.135 0.000 1.253 248 T HN 0.586 nan 8.240 nan 0.000 0.511 249 R N -0.736 119.579 120.500 -0.309 0.000 2.362 249 R HA 0.174 4.514 4.340 0.000 0.000 0.227 249 R C -0.123 176.109 176.300 -0.113 0.000 0.905 249 R CA -0.272 55.727 56.100 -0.168 0.000 1.067 249 R CB -0.259 29.963 30.300 -0.130 0.000 1.078 249 R HN 0.690 nan 8.270 nan 0.000 0.516 250 H N 0.202 119.308 119.070 0.060 0.000 2.871 250 H HA 0.233 4.789 4.556 0.000 0.000 0.355 250 H C 0.916 176.287 175.328 0.072 0.000 1.092 250 H CA 0.288 56.374 56.048 0.063 0.000 1.420 250 H CB 0.742 30.540 29.762 0.061 0.000 1.400 250 H HN 0.178 nan 8.280 nan 0.000 0.604 251 G N 0.357 109.286 108.800 0.215 0.000 3.042 251 G HA2 0.618 4.578 3.960 0.000 0.000 0.278 251 G HA3 0.618 4.578 3.960 0.000 0.000 0.278 251 G C -1.142 173.864 174.900 0.176 0.000 1.371 251 G CA -1.239 43.962 45.100 0.168 0.000 1.009 251 G HN 0.736 nan 8.290 nan 0.000 0.523 252 R N -1.601 119.022 120.500 0.205 0.000 2.698 252 R HA 0.795 5.135 4.340 0.000 0.000 0.275 252 R C -1.305 175.240 176.300 0.408 0.000 1.001 252 R CA -0.915 55.361 56.100 0.292 0.000 0.896 252 R CB 1.994 32.450 30.300 0.260 0.000 1.218 252 R HN 0.895 nan 8.270 nan 0.000 0.462 253 A N 1.958 125.017 122.820 0.399 0.000 2.414 253 A HA 0.491 4.811 4.320 0.000 0.000 0.306 253 A C -2.019 175.623 177.584 0.098 0.000 1.054 253 A CA -0.766 51.422 52.037 0.252 0.000 0.724 253 A CB 1.495 20.534 19.000 0.065 0.000 1.267 253 A HN 0.694 nan 8.150 nan 0.000 0.418 254 Y N 2.269 122.317 120.300 -0.420 0.000 2.341 254 Y HA 0.590 5.140 4.550 0.000 0.000 0.340 254 Y C 0.363 175.995 175.900 -0.446 0.000 0.997 254 Y CA -0.262 57.346 58.100 -0.820 0.000 1.149 254 Y CB 0.695 38.359 38.460 -1.325 0.000 1.171 254 Y HN 0.741 nan 8.280 nan 0.000 0.494 255 R N 5.605 125.599 120.500 -0.843 0.000 2.534 255 R HA 0.410 4.750 4.340 0.000 0.000 0.301 255 R C -1.233 174.401 176.300 -1.110 0.000 0.961 255 R CA -0.609 54.992 56.100 -0.831 0.000 0.871 255 R CB 1.278 31.171 30.300 -0.678 0.000 1.170 255 R HN 0.823 nan 8.270 nan 0.000 0.446 256 Q N 2.768 122.015 119.800 -0.921 0.000 2.215 256 Q HA 0.336 4.676 4.340 0.000 0.000 0.256 256 Q C -1.017 174.529 176.000 -0.755 0.000 0.972 256 Q CA -0.507 54.902 55.803 -0.657 0.000 0.889 256 Q CB 1.585 30.113 28.738 -0.350 0.000 1.281 256 Q HN 0.513 nan 8.270 nan 0.000 0.456 257 F N 1.145 120.988 119.950 -0.178 0.000 2.597 257 F HA 0.271 4.798 4.527 0.000 0.000 0.336 257 F C -2.052 173.700 175.800 -0.082 0.000 1.432 257 F CA -2.030 55.896 58.000 -0.124 0.000 1.120 257 F CB 0.517 39.447 39.000 -0.117 0.000 1.253 257 F HN 0.249 nan 8.300 nan 0.000 0.546 258 P HA -0.007 nan 4.420 nan 0.000 0.267 258 P C -0.193 177.134 177.300 0.045 0.000 1.200 258 P CA -0.146 62.971 63.100 0.028 0.000 0.772 258 P CB 1.209 32.905 31.700 -0.007 0.000 0.855 259 R N 2.222 122.747 120.500 0.042 0.000 2.404 259 R HA 0.474 4.814 4.340 0.000 0.000 0.291 259 R C -0.825 175.506 176.300 0.052 0.000 1.025 259 R CA -0.814 55.315 56.100 0.048 0.000 0.991 259 R CB 0.404 30.725 30.300 0.034 0.000 1.053 259 R HN 0.376 nan 8.270 nan 0.000 0.479 260 L N 4.337 125.610 121.223 0.084 0.000 2.301 260 L HA 0.303 4.644 4.340 0.000 0.000 0.278 260 L C -1.096 175.855 176.870 0.135 0.000 1.022 260 L CA -0.121 54.776 54.840 0.096 0.000 0.854 260 L CB 1.502 43.620 42.059 0.099 0.000 1.226 260 L HN 0.662 nan 8.230 nan 0.000 0.429 261 D N 7.125 127.576 120.400 0.085 0.000 2.545 261 D HA 0.220 4.860 4.640 0.000 0.000 0.227 261 D C -0.526 175.833 176.300 0.098 0.000 1.150 261 D CA 0.492 54.538 54.000 0.077 0.000 1.046 261 D CB 0.195 41.020 40.800 0.042 0.000 1.098 261 D HN 0.404 nan 8.370 nan 0.000 0.502 262 L N 1.305 122.636 121.223 0.180 0.000 2.401 262 L HA 0.244 4.584 4.340 0.000 0.000 0.266 262 L C -0.112 176.909 176.870 0.252 0.000 0.991 262 L CA -1.297 53.659 54.840 0.193 0.000 0.818 262 L CB 2.565 44.726 42.059 0.171 0.000 1.321 262 L HN 0.028 nan 8.230 nan 0.000 0.413 263 L N 2.510 123.828 121.223 0.159 0.000 2.769 263 L HA -0.074 4.267 4.340 0.000 0.000 0.293 263 L C 0.128 177.066 176.870 0.114 0.000 1.224 263 L CA 1.243 56.149 54.840 0.109 0.000 0.906 263 L CB 0.104 42.221 42.059 0.096 0.000 1.193 263 L HN 0.702 nan 8.230 nan 0.000 0.488 264 S N 2.995 118.646 115.700 -0.083 0.000 2.564 264 S HA 0.932 5.402 4.470 0.000 0.000 0.274 264 S C -0.347 174.165 174.600 -0.145 0.000 1.124 264 S CA -0.048 57.990 58.200 -0.270 0.000 0.869 264 S CB 1.501 64.236 63.200 -0.775 0.000 1.105 264 S HN 1.069 nan 8.310 nan 0.000 0.472 265 G N 0.475 109.208 108.800 -0.112 0.000 2.685 265 G HA2 0.649 4.609 3.960 0.000 0.000 0.298 265 G HA3 0.649 4.609 3.960 0.000 0.000 0.298 265 G C 0.674 175.532 174.900 -0.071 0.000 1.277 265 G CA -0.177 44.892 45.100 -0.052 0.000 0.986 265 G HN 1.083 nan 8.290 nan 0.000 0.487 266 A N -0.730 122.068 122.820 -0.036 0.000 2.119 266 A HA 0.056 4.377 4.320 0.000 0.000 0.217 266 A C 1.766 179.333 177.584 -0.029 0.000 1.153 266 A CA 1.710 53.725 52.037 -0.036 0.000 0.692 266 A CB -0.233 18.756 19.000 -0.017 0.000 0.799 266 A HN 0.669 nan 8.150 nan 0.000 0.458 267 Q N -1.221 118.574 119.800 -0.008 0.000 2.171 267 Q HA 0.151 4.491 4.340 0.000 0.000 0.218 267 Q C 0.216 176.110 176.000 -0.178 0.000 0.822 267 Q CA 0.221 56.016 55.803 -0.012 0.000 0.987 267 Q CB -0.492 28.316 28.738 0.116 0.000 1.144 267 Q HN 0.234 nan 8.270 nan 0.000 0.494 268 T N 4.020 118.469 114.554 -0.176 0.000 2.799 268 T HA 0.210 4.560 4.350 0.000 0.000 0.296 268 T C -2.203 172.297 174.700 -0.333 0.000 0.947 268 T CA -1.636 60.278 62.100 -0.310 0.000 1.141 268 T CB 0.680 69.508 68.868 -0.065 0.000 0.891 268 T HN 0.136 nan 8.240 nan 0.000 0.533 269 P HA 0.063 nan 4.420 nan 0.000 0.269 269 P C -0.288 176.950 177.300 -0.102 0.000 1.217 269 P CA -0.296 62.625 63.100 -0.298 0.000 0.783 269 P CB 0.437 31.928 31.700 -0.348 0.000 0.898 270 V N 3.038 122.920 119.914 -0.053 0.000 2.686 270 V HA 0.144 4.265 4.120 0.000 0.000 0.295 270 V C 0.787 176.877 176.094 -0.007 0.000 1.055 270 V CA 0.061 62.358 62.300 -0.005 0.000 1.050 270 V CB 0.183 32.003 31.823 -0.004 0.000 0.984 270 V HN 0.331 nan 8.190 nan 0.000 0.482 271 L N 5.700 126.923 121.223 -0.001 0.000 2.354 271 L HA 0.726 5.066 4.340 0.000 0.000 0.269 271 L C -0.111 176.734 176.870 -0.041 0.000 1.005 271 L CA -0.659 54.170 54.840 -0.018 0.000 0.819 271 L CB 2.049 44.088 42.059 -0.034 0.000 1.311 271 L HN 0.528 nan 8.230 nan 0.000 0.423 272 R N 1.517 121.987 120.500 -0.051 0.000 2.673 272 R HA 0.894 5.234 4.340 0.000 0.000 0.281 272 R C -1.446 174.806 176.300 -0.080 0.000 0.991 272 R CA -0.906 55.127 56.100 -0.112 0.000 0.896 272 R CB 2.493 32.659 30.300 -0.223 0.000 1.201 272 R HN 0.728 nan 8.270 nan 0.000 0.457 273 A N 0.540 123.308 122.820 -0.087 0.000 2.517 273 A HA 0.449 4.770 4.320 0.000 0.000 0.297 273 A C -0.126 177.443 177.584 -0.025 0.000 1.050 273 A CA -0.601 51.427 52.037 -0.015 0.000 0.694 273 A CB 1.610 20.607 19.000 -0.005 0.000 1.277 273 A HN 0.679 nan 8.150 nan 0.000 0.400 274 S N 0.574 116.293 115.700 0.032 0.000 3.365 274 S HA -0.137 4.333 4.470 0.000 0.000 0.377 274 S C 1.622 176.222 174.600 -0.000 0.000 1.043 274 S CA 2.249 60.470 58.200 0.035 0.000 1.101 274 S CB -1.368 61.852 63.200 0.033 0.000 0.900 274 S HN 2.820 nan 8.310 nan 0.000 0.480 275 G N -0.701 108.054 108.800 -0.074 0.000 2.195 275 G HA2 -0.299 3.661 3.960 0.000 0.000 0.246 275 G HA3 -0.299 3.661 3.960 0.000 0.000 0.246 275 G C 0.012 174.833 174.900 -0.132 0.000 0.984 275 G CA 0.228 45.263 45.100 -0.109 0.000 0.633 275 G HN 0.901 nan 8.290 nan 0.000 0.525 276 L N 1.495 122.654 121.223 -0.108 0.000 2.379 276 L HA 0.815 5.155 4.340 0.000 0.000 0.269 276 L C -0.095 176.711 176.870 -0.108 0.000 1.084 276 L CA -0.316 54.459 54.840 -0.109 0.000 0.802 276 L CB 1.640 43.651 42.059 -0.081 0.000 1.175 276 L HN 0.089 nan 8.230 nan 0.000 0.448 277 T N 4.979 119.477 114.554 -0.093 0.000 2.863 277 T HA 0.495 4.845 4.350 0.000 0.000 0.285 277 T C -0.536 174.144 174.700 -0.033 0.000 1.009 277 T CA -0.407 61.652 62.100 -0.069 0.000 0.989 277 T CB 1.460 70.291 68.868 -0.062 0.000 1.004 277 T HN 0.425 nan 8.240 nan 0.000 0.455 278 L N 3.173 124.387 121.223 -0.015 0.000 2.301 278 L HA 0.529 4.870 4.340 0.000 0.000 0.278 278 L C 0.059 177.007 176.870 0.129 0.000 1.022 278 L CA -0.900 53.963 54.840 0.038 0.000 0.854 278 L CB 0.951 42.969 42.059 -0.068 0.000 1.226 278 L HN 0.384 nan 8.230 nan 0.000 0.429 279 R N 6.806 127.380 120.500 0.124 0.000 2.230 279 R HA 0.344 4.684 4.340 0.000 0.000 0.337 279 R C -2.472 173.864 176.300 0.059 0.000 1.063 279 R CA -1.875 54.269 56.100 0.074 0.000 0.935 279 R CB 0.537 30.848 30.300 0.017 0.000 1.121 279 R HN 0.164 nan 8.270 nan 0.000 0.486 280 P HA -0.008 nan 4.420 nan 0.000 0.267 280 P C -1.197 175.980 177.300 -0.204 0.000 1.205 280 P CA 0.203 63.137 63.100 -0.277 0.000 0.765 280 P CB 0.946 32.486 31.700 -0.267 0.000 0.828 281 Q N 2.945 122.603 119.800 -0.236 0.000 2.503 281 Q HA 0.158 4.498 4.340 0.000 0.000 0.268 281 Q C -0.776 175.140 176.000 -0.139 0.000 0.982 281 Q CA -0.548 55.166 55.803 -0.149 0.000 0.907 281 Q CB 0.914 29.590 28.738 -0.103 0.000 1.467 281 Q HN 0.261 nan 8.270 nan 0.000 0.394 282 N N 1.707 120.343 118.700 -0.107 0.000 2.727 282 N HA -0.239 4.501 4.740 0.000 0.000 0.249 282 N C 0.473 175.925 175.510 -0.095 0.000 1.048 282 N CA 2.197 55.196 53.050 -0.085 0.000 0.714 282 N CB -1.070 37.378 38.487 -0.066 0.000 0.959 282 N HN 1.046 nan 8.380 nan 0.000 0.544 283 G N -3.449 105.275 108.800 -0.127 0.000 2.189 283 G HA2 -0.186 3.774 3.960 0.000 0.000 0.267 283 G HA3 -0.186 3.774 3.960 0.000 0.000 0.267 283 G C 0.627 175.421 174.900 -0.176 0.000 0.975 283 G CA 0.810 45.832 45.100 -0.129 0.000 0.644 283 G HN 0.982 nan 8.290 nan 0.000 0.537 284 G N -1.513 107.150 108.800 -0.228 0.000 3.247 284 G HA2 0.713 4.673 3.960 0.000 0.000 0.199 284 G HA3 0.713 4.673 3.960 0.000 0.000 0.199 284 G C -1.223 173.390 174.900 -0.480 0.000 1.172 284 G CA -0.836 44.126 45.100 -0.231 0.000 0.844 284 G HN 0.454 nan 8.290 nan 0.000 0.619 285 Y N -1.001 119.290 120.300 -0.016 0.000 2.492 285 Y HA 0.574 5.124 4.550 0.000 0.000 0.346 285 Y C -0.062 175.830 175.900 -0.014 0.000 0.997 285 Y CA -0.688 57.401 58.100 -0.019 0.000 1.025 285 Y CB 2.708 41.157 38.460 -0.019 0.000 1.263 285 Y HN 0.349 nan 8.280 nan 0.000 0.454 286 T N 4.019 118.651 114.554 0.130 0.000 2.771 286 T HA 0.394 4.744 4.350 0.000 0.000 0.281 286 T C -0.800 173.960 174.700 0.100 0.000 0.982 286 T CA -0.572 61.582 62.100 0.091 0.000 0.978 286 T CB 0.607 69.506 68.868 0.052 0.000 0.930 286 T HN 0.478 nan 8.240 nan 0.000 0.447 287 L N 4.931 126.200 121.223 0.076 0.000 2.281 287 L HA 0.508 4.848 4.340 0.000 0.000 0.285 287 L C -0.759 176.108 176.870 -0.005 0.000 1.074 287 L CA -0.460 54.392 54.840 0.021 0.000 0.817 287 L CB 0.468 42.519 42.059 -0.012 0.000 1.168 287 L HN 0.383 nan 8.230 nan 0.000 0.434 288 V N 7.179 127.073 119.914 -0.033 0.000 2.257 288 V HA 0.311 4.431 4.120 0.000 0.000 0.269 288 V C -2.011 173.968 176.094 -0.192 0.000 1.040 288 V CA -1.627 60.614 62.300 -0.097 0.000 0.813 288 V CB 0.650 32.475 31.823 0.003 0.000 1.065 288 V HN 0.714 nan 8.190 nan 0.000 0.457 289 P HA 0.179 nan 4.420 nan 0.000 0.269 289 P C -0.086 177.034 177.300 -0.301 0.000 1.217 289 P CA 0.189 63.124 63.100 -0.275 0.000 0.783 289 P CB 0.631 32.141 31.700 -0.316 0.000 0.898 290 A N 2.314 124.939 122.820 -0.325 0.000 2.302 290 A HA 0.504 4.824 4.320 0.000 0.000 0.285 290 A C -0.247 176.999 177.584 -0.562 0.000 1.105 290 A CA -0.323 51.476 52.037 -0.396 0.000 0.816 290 A CB 0.013 18.779 19.000 -0.390 0.000 1.067 290 A HN 0.389 nan 8.150 nan 0.000 0.489 291 I N 2.787 123.086 120.570 -0.451 0.000 2.330 291 I HA 0.207 4.377 4.170 0.000 0.000 0.286 291 I C 0.560 176.447 176.117 -0.383 0.000 1.025 291 I CA -0.162 60.895 61.300 -0.405 0.000 1.197 291 I CB 0.239 38.104 38.000 -0.226 0.000 1.358 291 I HN 0.729 nan 8.210 nan 0.000 0.467 292 H N 5.165 124.099 119.070 -0.227 0.000 2.448 292 H HA 0.058 4.614 4.556 0.000 0.000 0.292 292 H C 0.139 175.431 175.328 -0.060 0.000 1.035 292 H CA 0.916 56.879 56.048 -0.141 0.000 1.349 292 H CB 0.359 30.048 29.762 -0.122 0.000 1.425 292 H HN 0.759 nan 8.280 nan 0.000 0.539 293 H N -1.886 117.226 119.070 0.070 0.000 2.932 293 H HA 0.400 4.956 4.556 0.000 0.000 0.307 293 H C -0.322 175.022 175.328 0.025 0.000 1.391 293 H CA -1.307 54.767 56.048 0.042 0.000 1.130 293 H CB 0.848 30.633 29.762 0.039 0.000 1.836 293 H HN 0.046 nan 8.280 nan 0.000 0.522 294 R N 0.537 121.197 120.500 0.267 0.000 2.531 294 R HA 0.389 4.729 4.340 0.000 0.000 0.273 294 R C -1.113 175.354 176.300 0.280 0.000 1.070 294 R CA -0.615 55.614 56.100 0.216 0.000 1.112 294 R CB 0.534 30.937 30.300 0.170 0.000 1.049 294 R HN 0.544 nan 8.270 nan 0.000 0.508 295 D N 3.058 123.603 120.400 0.241 0.000 2.210 295 D HA 0.248 4.888 4.640 0.000 0.000 0.249 295 D C -1.913 174.521 176.300 0.223 0.000 1.078 295 D CA -1.348 52.765 54.000 0.187 0.000 0.875 295 D CB 1.471 42.464 40.800 0.321 0.000 1.175 295 D HN 0.475 nan 8.370 nan 0.000 0.440 296 P HA -0.074 nan 4.420 nan 0.000 0.269 296 P C 0.981 178.431 177.300 0.250 0.000 1.217 296 P CA -0.118 63.088 63.100 0.178 0.000 0.783 296 P CB 1.145 32.924 31.700 0.132 0.000 0.898 297 H N 1.846 120.981 119.070 0.108 0.000 2.289 297 H HA -0.120 4.436 4.556 0.000 0.000 0.296 297 H C 0.911 176.294 175.328 0.092 0.000 1.091 297 H CA 2.202 58.291 56.048 0.068 0.000 1.274 297 H CB -0.590 29.193 29.762 0.035 0.000 1.364 297 H HN 0.568 nan 8.280 nan 0.000 0.490 298 G N -0.121 108.890 108.800 0.351 0.000 3.161 298 G HA2 0.279 4.239 3.960 0.000 0.000 0.293 298 G HA3 0.279 4.239 3.960 0.000 0.000 0.293 298 G C -1.463 173.599 174.900 0.270 0.000 0.893 298 G CA -0.274 44.983 45.100 0.262 0.000 1.756 298 G HN 0.387 nan 8.290 nan 0.000 0.549 299 Y N 1.482 121.895 120.300 0.189 0.000 2.386 299 Y HA 0.464 5.014 4.550 0.000 0.000 0.334 299 Y C -0.782 175.366 175.900 0.412 0.000 1.002 299 Y CA -1.473 56.775 58.100 0.247 0.000 1.068 299 Y CB 1.278 39.905 38.460 0.278 0.000 1.203 299 Y HN 0.456 nan 8.280 nan 0.000 0.443 300 H N 7.328 126.046 119.070 -0.587 0.000 2.638 300 H HA 0.313 4.869 4.556 0.000 0.000 0.317 300 H C -2.335 172.472 175.328 -0.869 0.000 1.006 300 H CA -2.335 53.389 56.048 -0.539 0.000 1.222 300 H CB 1.564 31.181 29.762 -0.242 0.000 1.419 300 H HN 0.493 nan 8.280 nan 0.000 0.489 301 P HA 0.009 nan 4.420 nan 0.000 0.263 301 P C -0.281 176.894 177.300 -0.209 0.000 1.195 301 P CA 0.206 62.997 63.100 -0.515 0.000 0.762 301 P CB 1.667 32.991 31.700 -0.627 0.000 0.799 302 A N 3.511 126.299 122.820 -0.054 0.000 1.949 302 A HA 0.594 4.915 4.320 0.000 0.000 0.200 302 A C 0.999 178.610 177.584 0.044 0.000 1.832 302 A CA 0.835 52.872 52.037 0.001 0.000 1.004 302 A CB -0.639 18.372 19.000 0.019 0.000 1.102 302 A HN 0.774 nan 8.150 nan 0.000 0.595 303 G N -1.244 107.602 108.800 0.077 0.000 2.954 303 G HA2 0.419 4.379 3.960 0.000 0.000 0.672 303 G HA3 0.419 4.379 3.960 0.000 0.000 0.672 303 G C 0.869 175.796 174.900 0.046 0.000 1.598 303 G CA 0.243 45.384 45.100 0.069 0.000 1.063 303 G HN 2.500 nan 8.290 nan 0.000 0.584 304 G N -1.367 107.456 108.800 0.038 0.000 2.673 304 G HA2 0.509 4.469 3.960 0.000 0.000 0.566 304 G HA3 0.509 4.469 3.960 0.000 0.000 0.566 304 G C -0.204 174.712 174.900 0.026 0.000 1.170 304 G CA 0.345 45.462 45.100 0.028 0.000 1.242 304 G HN 1.989 nan 8.290 nan 0.000 0.568 305 S N 0.433 116.146 115.700 0.022 0.000 2.640 305 S HA 0.199 4.669 4.470 0.000 0.000 0.163 305 S C -0.607 174.002 174.600 0.014 0.000 0.936 305 S CA -0.555 57.656 58.200 0.019 0.000 1.081 305 S CB 0.406 63.620 63.200 0.023 0.000 1.720 305 S HN 1.265 nan 8.310 nan 0.000 0.488 306 L N 2.700 123.930 121.223 0.011 0.000 2.276 306 L HA 0.609 4.950 4.340 0.000 0.000 0.286 306 L C 0.730 177.604 176.870 0.006 0.000 1.024 306 L CA 0.630 55.475 54.840 0.008 0.000 0.826 306 L CB 0.777 42.840 42.059 0.006 0.000 1.211 306 L HN 0.430 nan 8.230 nan 0.000 0.422 307 T N 4.120 118.677 114.554 0.005 0.000 3.639 307 T HA -0.185 4.165 4.350 0.000 0.000 0.386 307 T C 1.120 175.823 174.700 0.005 0.000 0.764 307 T CA 1.682 63.785 62.100 0.004 0.000 1.954 307 T CB -1.633 67.237 68.868 0.003 0.000 1.755 307 T HN 2.107 nan 8.240 nan 0.000 0.715 308 G N -1.142 107.662 108.800 0.006 0.000 2.162 308 G HA2 -0.186 3.774 3.960 0.000 0.000 0.260 308 G HA3 -0.186 3.774 3.960 0.000 0.000 0.260 308 G C 0.139 175.044 174.900 0.007 0.000 0.976 308 G CA 0.162 45.266 45.100 0.007 0.000 0.655 308 G HN 1.581 nan 8.290 nan 0.000 0.533 309 V N 1.745 121.663 119.914 0.008 0.000 2.588 309 V HA 0.602 4.723 4.120 0.000 0.000 0.304 309 V C -1.952 174.148 176.094 0.010 0.000 1.042 309 V CA -1.743 60.562 62.300 0.008 0.000 0.877 309 V CB 2.401 34.228 31.823 0.007 0.000 0.996 309 V HN 0.166 nan 8.190 nan 0.000 0.425 310 P HA 0.256 nan 4.420 nan 0.000 0.282 310 P C -0.334 176.974 177.300 0.013 0.000 1.274 310 P CA 0.258 63.366 63.100 0.014 0.000 0.770 310 P CB 1.219 32.928 31.700 0.013 0.000 0.867 311 T N -0.494 114.070 114.554 0.015 0.000 2.762 311 T HA 0.586 4.936 4.350 0.000 0.000 0.272 311 T C 1.176 175.887 174.700 0.019 0.000 0.982 311 T CA -0.288 61.821 62.100 0.015 0.000 1.013 311 T CB 1.117 69.992 68.868 0.012 0.000 1.309 311 T HN 0.227 nan 8.240 nan 0.000 0.572 312 G N -0.277 108.534 108.800 0.018 0.000 3.088 312 G HA2 0.385 4.345 3.960 0.000 0.000 0.217 312 G HA3 0.385 4.345 3.960 0.000 0.000 0.217 312 G C -0.051 174.866 174.900 0.028 0.000 1.159 312 G CA -0.218 44.897 45.100 0.024 0.000 0.760 312 G HN 0.485 nan 8.290 nan 0.000 0.550 313 L N 1.348 122.582 121.223 0.018 0.000 2.334 313 L HA 0.425 4.765 4.340 0.000 0.000 0.277 313 L C 0.783 177.671 176.870 0.030 0.000 1.075 313 L CA -0.725 54.122 54.840 0.011 0.000 0.804 313 L CB 1.073 43.128 42.059 -0.006 0.000 1.174 313 L HN 0.049 nan 8.230 nan 0.000 0.438 314 R N 1.719 122.243 120.500 0.040 0.000 2.734 314 R HA 0.065 4.405 4.340 0.000 0.000 0.266 314 R C 1.300 177.632 176.300 0.054 0.000 1.044 314 R CA -0.319 55.826 56.100 0.075 0.000 1.128 314 R CB 0.444 30.806 30.300 0.104 0.000 1.010 314 R HN 0.565 nan 8.270 nan 0.000 0.461 315 R N 2.159 122.701 120.500 0.070 0.000 2.113 315 R HA -0.240 4.100 4.340 0.000 0.000 0.244 315 R C 1.292 177.617 176.300 0.042 0.000 1.142 315 R CA 2.081 58.212 56.100 0.052 0.000 0.953 315 R CB 0.008 30.344 30.300 0.061 0.000 0.860 315 R HN 0.659 nan 8.270 nan 0.000 0.438 316 E N 0.473 120.705 120.200 0.054 0.000 2.110 316 E HA -0.220 4.130 4.350 0.000 0.000 0.193 316 E C 2.116 178.743 176.600 0.045 0.000 0.988 316 E CA 1.237 57.670 56.400 0.056 0.000 0.804 316 E CB -0.145 29.604 29.700 0.082 0.000 0.745 316 E HN 0.414 nan 8.360 nan 0.000 0.458 317 L N 0.665 121.896 121.223 0.014 0.000 2.056 317 L HA -0.182 4.158 4.340 0.000 0.000 0.207 317 L C 2.228 179.096 176.870 -0.004 0.000 1.078 317 L CA 0.555 55.387 54.840 -0.014 0.000 0.749 317 L CB -0.046 41.980 42.059 -0.055 0.000 0.901 317 L HN 0.181 nan 8.230 nan 0.000 0.433 318 L N 0.283 121.508 121.223 0.003 0.000 2.012 318 L HA -0.263 4.077 4.340 0.000 0.000 0.210 318 L C 2.539 179.411 176.870 0.003 0.000 1.073 318 L CA 1.829 56.671 54.840 0.003 0.000 0.748 318 L CB -1.042 41.023 42.059 0.010 0.000 0.891 318 L HN 0.325 nan 8.230 nan 0.000 0.431 319 E N -0.891 119.313 120.200 0.007 0.000 2.051 319 E HA -0.225 4.126 4.350 0.000 0.000 0.192 319 E C 1.803 178.402 176.600 -0.001 0.000 0.991 319 E CA 1.195 57.595 56.400 -0.000 0.000 0.799 319 E CB -0.201 29.495 29.700 -0.007 0.000 0.748 319 E HN 0.505 nan 8.360 nan 0.000 0.449 320 D N 1.115 121.523 120.400 0.013 0.000 2.104 320 D HA -0.165 4.476 4.640 0.000 0.000 0.194 320 D C 2.194 178.496 176.300 0.004 0.000 0.994 320 D CA 0.946 54.961 54.000 0.024 0.000 0.830 320 D CB -0.267 40.573 40.800 0.068 0.000 0.959 320 D HN 0.143 nan 8.370 nan 0.000 0.452 321 L N 0.575 121.795 121.223 -0.005 0.000 2.012 321 L HA -0.191 4.149 4.340 0.000 0.000 0.210 321 L C 2.693 179.556 176.870 -0.011 0.000 1.073 321 L CA 0.791 55.623 54.840 -0.013 0.000 0.748 321 L CB -0.622 41.427 42.059 -0.016 0.000 0.891 321 L HN -0.055 nan 8.230 nan 0.000 0.431 322 V N 0.342 120.251 119.914 -0.008 0.000 2.392 322 V HA -0.247 3.873 4.120 0.000 0.000 0.249 322 V C 2.497 178.586 176.094 -0.008 0.000 1.059 322 V CA 2.059 64.354 62.300 -0.008 0.000 1.051 322 V CB -1.244 30.576 31.823 -0.006 0.000 0.658 322 V HN 0.613 nan 8.190 nan 0.000 0.455 323 G N -1.363 107.432 108.800 -0.008 0.000 2.598 323 G HA2 0.071 4.031 3.960 0.000 0.000 0.215 323 G HA3 0.071 4.031 3.960 0.000 0.000 0.215 323 G C 0.637 175.533 174.900 -0.006 0.000 1.131 323 G CA 0.162 45.257 45.100 -0.008 0.000 0.785 323 G HN 0.380 nan 8.290 nan 0.000 0.539 327 A N 1.124 123.938 122.820 -0.010 0.000 1.933 327 A HA 0.043 4.363 4.320 0.000 0.000 0.218 327 A C 1.245 178.819 177.584 -0.017 0.000 1.175 327 A CA 1.420 53.451 52.037 -0.009 0.000 0.628 327 A CB 0.037 19.034 19.000 -0.004 0.000 0.814 327 A HN 0.145 nan 8.150 nan 0.000 0.444 328 V N 0.327 120.227 119.914 -0.024 0.000 2.260 328 V HA 0.187 4.307 4.120 0.000 0.000 0.263 328 V C -2.034 174.037 176.094 -0.039 0.000 1.036 328 V CA -0.844 61.433 62.300 -0.039 0.000 0.874 328 V CB 0.976 32.768 31.823 -0.051 0.000 1.116 328 V HN 0.187 nan 8.190 nan 0.000 0.454 329 P HA -0.257 nan 4.420 nan 0.000 0.218 329 P C 1.746 179.027 177.300 -0.032 0.000 1.150 329 P CA 1.922 65.006 63.100 -0.026 0.000 0.841 329 P CB 0.311 31.999 31.700 -0.020 0.000 0.784 330 A N -1.239 121.553 122.820 -0.048 0.000 2.076 330 A HA -0.173 4.147 4.320 0.000 0.000 0.220 330 A C 1.817 179.373 177.584 -0.047 0.000 1.160 330 A CA 1.402 53.405 52.037 -0.056 0.000 0.653 330 A CB -1.428 17.511 19.000 -0.102 0.000 0.801 330 A HN 0.121 nan 8.150 nan 0.000 0.455 331 L N -1.592 119.604 121.223 -0.046 0.000 2.552 331 L HA 0.143 4.483 4.340 0.000 0.000 0.227 331 L C 2.256 179.112 176.870 -0.023 0.000 1.146 331 L CA 1.292 56.111 54.840 -0.036 0.000 0.858 331 L CB -0.389 41.648 42.059 -0.037 0.000 0.969 331 L HN 0.387 nan 8.230 nan 0.000 0.451 332 A N -1.770 121.039 122.820 -0.020 0.000 2.431 332 A HA 0.591 4.911 4.320 0.000 0.000 0.239 332 A C 1.405 178.984 177.584 -0.009 0.000 1.230 332 A CA 0.401 52.431 52.037 -0.012 0.000 0.928 332 A CB -0.258 18.735 19.000 -0.011 0.000 1.006 332 A HN 0.318 nan 8.150 nan 0.000 0.520 333 G N 0.251 109.045 108.800 -0.009 0.000 2.714 333 G HA2 0.344 4.305 3.960 0.000 0.000 0.197 333 G HA3 0.344 4.305 3.960 0.000 0.000 0.197 333 G C 0.611 175.511 174.900 -0.000 0.000 1.449 333 G CA 0.443 45.541 45.100 -0.004 0.000 1.065 333 G HN 0.393 nan 8.290 nan 0.000 0.575 334 E N -0.594 119.608 120.200 0.004 0.000 2.474 334 E HA 0.153 4.503 4.350 0.000 0.000 0.194 334 E C 1.996 178.603 176.600 0.012 0.000 1.041 334 E CA 0.547 56.952 56.400 0.008 0.000 0.874 334 E CB -0.039 29.667 29.700 0.009 0.000 0.914 334 E HN 0.436 nan 8.360 nan 0.000 0.498 335 G N 2.295 111.102 108.800 0.013 0.000 2.459 335 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 335 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 335 G C 0.866 175.780 174.900 0.023 0.000 1.183 335 G CA 0.157 45.270 45.100 0.023 0.000 0.776 335 G HN 0.202 nan 8.290 nan 0.000 0.552 336 L N 1.615 122.845 121.223 0.012 0.000 2.513 336 L HA 0.097 4.437 4.340 0.000 0.000 0.272 336 L C -0.062 176.815 176.870 0.011 0.000 1.187 336 L CA -0.060 54.786 54.840 0.010 0.000 0.895 336 L CB 0.556 42.614 42.059 -0.001 0.000 1.147 336 L HN 0.328 nan 8.230 nan 0.000 0.483 337 E N 5.330 125.539 120.200 0.014 0.000 2.001 337 E HA 0.058 4.409 4.350 0.000 0.000 0.279 337 E C 0.126 176.732 176.600 0.009 0.000 1.045 337 E CA -0.512 55.896 56.400 0.013 0.000 0.833 337 E CB 1.267 30.977 29.700 0.017 0.000 1.077 337 E HN 0.482 nan 8.360 nan 0.000 0.397 338 L N 2.325 123.553 121.223 0.007 0.000 2.307 338 L HA 0.117 4.457 4.340 0.000 0.000 0.211 338 L C 1.171 178.046 176.870 0.009 0.000 1.099 338 L CA 1.160 56.003 54.840 0.006 0.000 0.816 338 L CB -0.846 41.216 42.059 0.005 0.000 0.952 338 L HN 0.798 nan 8.230 nan 0.000 0.455 339 G N -0.268 108.539 108.800 0.011 0.000 2.888 339 G HA2 -0.310 3.650 3.960 0.000 0.000 0.441 339 G HA3 -0.310 3.650 3.960 0.000 0.000 0.441 339 G C 0.689 175.596 174.900 0.012 0.000 1.461 339 G CA 0.250 45.358 45.100 0.013 0.000 0.897 339 G HN 0.227 nan 8.290 nan 0.000 0.547 340 R N 0.231 120.739 120.500 0.013 0.000 2.075 340 R HA 0.324 4.664 4.340 0.000 0.000 0.220 340 R C 1.702 178.011 176.300 0.014 0.000 1.118 340 R CA 1.404 57.511 56.100 0.012 0.000 0.986 340 R CB -0.028 30.279 30.300 0.011 0.000 0.884 340 R HN 0.960 nan 8.270 nan 0.000 0.439 341 S N -1.731 113.978 115.700 0.016 0.000 2.667 341 S HA 0.183 4.653 4.470 0.000 0.000 0.292 341 S C 0.622 175.236 174.600 0.023 0.000 1.126 341 S CA -0.718 57.492 58.200 0.017 0.000 0.881 341 S CB 1.698 64.906 63.200 0.013 0.000 1.132 341 S HN -0.020 nan 8.310 nan 0.000 0.492 342 S N 0.259 115.974 115.700 0.025 0.000 2.440 342 S HA -0.108 4.362 4.470 0.000 0.000 0.238 342 S C 1.861 176.488 174.600 0.044 0.000 1.010 342 S CA 1.410 59.635 58.200 0.041 0.000 0.972 342 S CB -1.127 62.093 63.200 0.032 0.000 0.774 342 S HN 1.024 nan 8.310 nan 0.000 0.501 343 A N 0.964 123.799 122.820 0.026 0.000 2.015 343 A HA -0.034 4.286 4.320 0.000 0.000 0.219 343 A C 1.694 179.295 177.584 0.030 0.000 1.163 343 A CA 1.440 53.492 52.037 0.025 0.000 0.646 343 A CB -0.350 18.658 19.000 0.013 0.000 0.806 343 A HN 0.594 nan 8.150 nan 0.000 0.448 344 D N -0.613 119.804 120.400 0.027 0.000 2.340 344 D HA 0.124 4.765 4.640 0.000 0.000 0.220 344 D C -0.192 176.126 176.300 0.030 0.000 1.039 344 D CA 0.414 54.429 54.000 0.024 0.000 0.866 344 D CB 0.449 41.261 40.800 0.019 0.000 0.913 344 D HN 0.175 nan 8.370 nan 0.000 0.523 345 V N 2.670 122.608 119.914 0.040 0.000 2.357 345 V HA 0.221 4.342 4.120 0.000 0.000 0.284 345 V C -2.210 173.920 176.094 0.060 0.000 1.018 345 V CA -1.821 60.504 62.300 0.042 0.000 0.841 345 V CB 1.565 33.407 31.823 0.032 0.000 0.991 345 V HN -0.168 nan 8.190 nan 0.000 0.437 346 P HA 0.274 nan 4.420 nan 0.000 0.260 346 P C 0.200 177.574 177.300 0.124 0.000 1.185 346 P CA 0.674 63.825 63.100 0.085 0.000 0.763 346 P CB 0.425 32.170 31.700 0.074 0.000 0.776 347 G N 1.264 110.129 108.800 0.109 0.000 2.692 347 G HA2 0.755 4.715 3.960 0.000 0.000 0.291 347 G HA3 0.755 4.715 3.960 0.000 0.000 0.291 347 G C -1.932 172.998 174.900 0.050 0.000 1.423 347 G CA -0.406 44.654 45.100 -0.066 0.000 0.843 347 G HN 0.593 nan 8.290 nan 0.000 0.486 348 A N -0.608 122.135 122.820 -0.129 0.000 2.612 348 A HA 0.728 5.048 4.320 0.000 0.000 0.293 348 A C -2.258 175.374 177.584 0.080 0.000 1.075 348 A CA -0.793 51.327 52.037 0.139 0.000 0.680 348 A CB 0.892 19.992 19.000 0.168 0.000 1.279 348 A HN 0.709 nan 8.150 nan 0.000 0.411 349 W N 0.664 122.121 121.300 0.262 0.000 2.361 349 W HA 0.621 5.281 4.660 0.000 0.000 0.309 349 W C -0.655 175.943 176.519 0.132 0.000 1.122 349 W CA -0.037 57.445 57.345 0.228 0.000 1.208 349 W CB 1.455 31.027 29.460 0.187 0.000 1.246 349 W HN 0.450 nan 8.180 nan 0.000 0.490 350 L N 3.474 124.888 121.223 0.320 0.000 2.329 350 L HA 0.666 5.006 4.340 0.000 0.000 0.279 350 L C 0.519 177.511 176.870 0.204 0.000 1.014 350 L CA -0.808 54.156 54.840 0.207 0.000 0.814 350 L CB 1.326 43.459 42.059 0.124 0.000 1.257 350 L HN 0.511 nan 8.230 nan 0.000 0.424 351 A N 2.801 125.709 122.820 0.146 0.000 2.407 351 A HA 0.603 4.923 4.320 0.000 0.000 0.248 351 A C -0.716 176.926 177.584 0.097 0.000 1.082 351 A CA -0.108 51.998 52.037 0.116 0.000 0.785 351 A CB 0.182 19.216 19.000 0.057 0.000 1.020 351 A HN 0.522 nan 8.150 nan 0.000 0.489 352 L N 3.612 124.900 121.223 0.109 0.000 2.353 352 L HA 0.403 4.744 4.340 0.000 0.000 0.270 352 L C -2.376 174.566 176.870 0.121 0.000 1.003 352 L CA -1.564 53.337 54.840 0.101 0.000 0.862 352 L CB 1.679 43.807 42.059 0.115 0.000 1.221 352 L HN 0.377 nan 8.230 nan 0.000 0.430 353 P HA 0.217 nan 4.420 nan 0.000 0.267 353 P C 0.853 178.296 177.300 0.238 0.000 1.205 353 P CA 0.341 63.530 63.100 0.147 0.000 0.765 353 P CB 0.826 32.562 31.700 0.060 0.000 0.828 354 G N 3.143 112.187 108.800 0.406 0.000 2.186 354 G HA2 -0.225 3.735 3.960 0.000 0.000 0.266 354 G HA3 -0.225 3.735 3.960 0.000 0.000 0.266 354 G C 0.976 175.945 174.900 0.115 0.000 0.982 354 G CA 0.735 45.937 45.100 0.170 0.000 0.670 354 G HN 1.046 nan 8.290 nan 0.000 0.533 355 G N -1.500 107.386 108.800 0.143 0.000 2.184 355 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 355 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 355 G C 0.343 175.299 174.900 0.095 0.000 0.975 355 G CA 0.994 46.162 45.100 0.114 0.000 0.642 355 G HN 1.021 nan 8.290 nan 0.000 0.536 356 R N 0.480 121.032 120.500 0.087 0.000 2.202 356 R HA 0.380 4.720 4.340 0.000 0.000 0.334 356 R C -1.406 174.927 176.300 0.054 0.000 1.036 356 R CA -1.775 54.365 56.100 0.066 0.000 0.878 356 R CB 1.128 31.462 30.300 0.058 0.000 1.067 356 R HN 0.045 nan 8.270 nan 0.000 0.457 357 P HA -0.194 nan 4.420 nan 0.000 0.220 357 P C 0.168 177.468 177.300 -0.001 0.000 1.144 357 P CA 1.287 64.394 63.100 0.011 0.000 0.800 357 P CB 0.220 31.915 31.700 -0.008 0.000 0.772 358 D N -2.101 118.305 120.400 0.010 0.000 2.462 358 D HA 0.191 4.831 4.640 0.000 0.000 0.221 358 D C 0.201 176.508 176.300 0.012 0.000 1.173 358 D CA -0.455 53.546 54.000 0.002 0.000 0.831 358 D CB -0.342 40.459 40.800 0.002 0.000 1.001 358 D HN -0.035 nan 8.370 nan 0.000 0.499 359 A N 1.956 124.791 122.820 0.025 0.000 2.354 359 A HA 0.553 4.873 4.320 0.000 0.000 0.269 359 A C -2.167 175.433 177.584 0.026 0.000 1.109 359 A CA -1.061 50.995 52.037 0.033 0.000 0.800 359 A CB 0.583 19.615 19.000 0.054 0.000 1.045 359 A HN 0.102 nan 8.150 nan 0.000 0.489 360 P HA 0.378 nan 4.420 nan 0.000 0.282 360 P C -2.802 174.515 177.300 0.029 0.000 1.287 360 P CA -1.693 61.421 63.100 0.023 0.000 0.792 360 P CB -0.350 31.363 31.700 0.021 0.000 1.163 361 P HA 0.143 nan 4.420 nan 0.000 0.269 361 P C -0.589 176.729 177.300 0.030 0.000 1.215 361 P CA 0.478 63.600 63.100 0.038 0.000 0.780 361 P CB 0.209 31.946 31.700 0.062 0.000 0.898 362 Q N 0.727 120.538 119.800 0.019 0.000 2.687 362 Q HA 0.839 5.179 4.340 0.000 0.000 0.295 362 Q C -2.132 173.877 176.000 0.015 0.000 0.920 362 Q CA -1.276 54.539 55.803 0.019 0.000 0.766 362 Q CB 1.362 30.117 28.738 0.028 0.000 1.467 362 Q HN 0.362 nan 8.270 nan 0.000 0.415 363 A N 0.534 123.371 122.820 0.029 0.000 2.556 363 A HA 0.872 5.192 4.320 0.000 0.000 0.294 363 A C -1.645 175.987 177.584 0.081 0.000 1.091 363 A CA -0.207 51.859 52.037 0.049 0.000 0.704 363 A CB 2.036 21.057 19.000 0.034 0.000 1.300 363 A HN 0.867 nan 8.150 nan 0.000 0.406 364 E N 0.295 120.568 120.200 0.122 0.000 2.388 364 E HA 0.403 4.753 4.350 0.000 0.000 0.280 364 E C -1.440 175.231 176.600 0.118 0.000 1.019 364 E CA -0.689 55.783 56.400 0.121 0.000 0.806 364 E CB 1.421 31.186 29.700 0.108 0.000 1.246 364 E HN 0.537 nan 8.360 nan 0.000 0.443 365 E N 3.067 123.296 120.200 0.049 0.000 2.035 365 E HA 0.204 4.554 4.350 0.000 0.000 0.271 365 E C 0.285 176.826 176.600 -0.099 0.000 0.953 365 E CA -0.297 56.004 56.400 -0.165 0.000 0.777 365 E CB 0.701 30.269 29.700 -0.220 0.000 1.104 365 E HN 0.586 nan 8.360 nan 0.000 0.408 366 L N 2.908 124.080 121.223 -0.085 0.000 2.551 366 L HA 0.195 4.535 4.340 0.000 0.000 0.228 366 L C 0.659 177.493 176.870 -0.060 0.000 1.153 366 L CA 0.295 55.110 54.840 -0.042 0.000 0.851 366 L CB -0.188 41.864 42.059 -0.013 0.000 0.959 366 L HN 0.463 nan 8.230 nan 0.000 0.451 367 A N -1.637 121.123 122.820 -0.100 0.000 2.549 367 A HA 0.509 4.829 4.320 0.000 0.000 0.291 367 A C -2.794 174.722 177.584 -0.112 0.000 1.034 367 A CA -0.947 51.041 52.037 -0.082 0.000 0.655 367 A CB 0.275 19.238 19.000 -0.062 0.000 1.299 367 A HN -0.244 nan 8.150 nan 0.000 0.427 368 P HA 0.264 nan 4.420 nan 0.000 0.258 368 P C 1.123 178.379 177.300 -0.074 0.000 1.172 368 P CA 2.628 65.690 63.100 -0.064 0.000 0.762 368 P CB 0.327 32.008 31.700 -0.032 0.000 0.764 369 G N 2.301 111.046 108.800 -0.092 0.000 2.189 369 G HA2 -0.276 3.685 3.960 0.000 0.000 0.267 369 G HA3 -0.276 3.685 3.960 0.000 0.000 0.267 369 G C -0.172 174.667 174.900 -0.100 0.000 0.975 369 G CA -0.093 44.983 45.100 -0.041 0.000 0.644 369 G HN 0.563 nan 8.290 nan 0.000 0.537 370 L N 1.412 122.487 121.223 -0.248 0.000 2.298 370 L HA 0.792 5.132 4.340 0.000 0.000 0.284 370 L C -0.302 176.343 176.870 -0.376 0.000 1.013 370 L CA -1.310 53.413 54.840 -0.195 0.000 0.824 370 L CB 0.879 42.876 42.059 -0.103 0.000 1.221 370 L HN 0.238 nan 8.230 nan 0.000 0.418 371 H N 4.272 123.353 119.070 0.017 0.000 2.495 371 H HA 0.623 5.179 4.556 0.000 0.000 0.348 371 H C -1.098 174.243 175.328 0.021 0.000 1.113 371 H CA -0.672 55.387 56.048 0.019 0.000 1.195 371 H CB 2.000 31.770 29.762 0.014 0.000 1.521 371 H HN 0.525 nan 8.280 nan 0.000 0.509 372 L N 3.648 124.949 121.223 0.130 0.000 2.294 372 L HA 0.360 4.700 4.340 0.000 0.000 0.283 372 L C -1.583 175.320 176.870 0.055 0.000 1.015 372 L CA -0.802 54.084 54.840 0.078 0.000 0.831 372 L CB 0.625 42.726 42.059 0.070 0.000 1.217 372 L HN 0.503 nan 8.230 nan 0.000 0.420 373 L N 5.905 127.154 121.223 0.044 0.000 2.264 373 L HA 0.591 4.931 4.340 0.000 0.000 0.289 373 L C -1.303 175.566 176.870 -0.002 0.000 1.044 373 L CA -0.030 54.827 54.840 0.029 0.000 0.807 373 L CB 1.091 43.178 42.059 0.047 0.000 1.192 373 L HN 0.553 nan 8.230 nan 0.000 0.425 374 L N 4.736 125.944 121.223 -0.025 0.000 2.365 374 L HA 0.717 5.057 4.340 0.000 0.000 0.273 374 L C 0.726 177.598 176.870 0.005 0.000 1.000 374 L CA 0.127 54.941 54.840 -0.043 0.000 0.819 374 L CB 1.691 43.664 42.059 -0.143 0.000 1.284 374 L HN 0.698 nan 8.230 nan 0.000 0.418 375 G N 0.959 109.774 108.800 0.026 0.000 2.548 375 G HA2 0.569 4.530 3.960 0.000 0.000 0.221 375 G HA3 0.569 4.530 3.960 0.000 0.000 0.221 375 G C 0.316 175.242 174.900 0.043 0.000 1.796 375 G CA 0.348 45.478 45.100 0.051 0.000 0.889 375 G HN 1.130 nan 8.290 nan 0.000 0.599 376 G N -0.828 108.002 108.800 0.050 0.000 2.655 376 G HA2 0.002 3.962 3.960 0.000 0.000 0.680 376 G HA3 0.002 3.962 3.960 0.000 0.000 0.680 376 G C -1.914 173.011 174.900 0.041 0.000 1.302 376 G CA -0.052 45.076 45.100 0.046 0.000 0.872 376 G HN 0.334 nan 8.290 nan 0.000 0.540 377 P HA 0.008 nan 4.420 nan 0.000 0.224 377 P C 1.521 178.820 177.300 -0.001 0.000 1.142 377 P CA 1.060 64.165 63.100 0.007 0.000 0.778 377 P CB 0.001 31.691 31.700 -0.017 0.000 0.764 378 L N -2.761 118.465 121.223 0.006 0.000 2.808 378 L HA 0.302 4.642 4.340 0.000 0.000 0.246 378 L C 2.018 178.902 176.870 0.024 0.000 1.153 378 L CA -0.038 54.798 54.840 -0.007 0.000 0.956 378 L CB -0.375 41.672 42.059 -0.019 0.000 1.270 378 L HN -0.116 nan 8.230 nan 0.000 0.528 379 A N 0.311 123.162 122.820 0.052 0.000 2.032 379 A HA -0.240 4.080 4.320 0.000 0.000 0.221 379 A C 1.787 179.458 177.584 0.146 0.000 1.165 379 A CA 1.914 54.008 52.037 0.095 0.000 0.645 379 A CB -0.275 18.781 19.000 0.093 0.000 0.807 379 A HN 0.372 nan 8.150 nan 0.000 0.453 380 D N -0.971 119.502 120.400 0.122 0.000 2.219 380 D HA -0.067 4.573 4.640 0.000 0.000 0.205 380 D C 1.571 178.045 176.300 0.290 0.000 0.970 380 D CA 1.762 55.897 54.000 0.223 0.000 0.851 380 D CB -0.237 40.606 40.800 0.072 0.000 0.943 380 D HN 0.446 nan 8.370 nan 0.000 0.488 381 T N -0.141 114.455 114.554 0.070 0.000 3.040 381 T HA 0.184 4.534 4.350 0.000 0.000 0.252 381 T C 1.771 176.531 174.700 0.101 0.000 1.064 381 T CA 0.194 62.211 62.100 -0.138 0.000 1.110 381 T CB 0.660 69.228 68.868 -0.501 0.000 0.921 381 T HN 0.062 nan 8.240 nan 0.000 0.480 382 L N -0.116 121.182 121.223 0.126 0.000 3.086 382 L HA 0.419 4.759 4.340 0.000 0.000 0.274 382 L C 2.403 179.386 176.870 0.188 0.000 1.184 382 L CA -0.127 54.810 54.840 0.162 0.000 1.002 382 L CB -0.013 42.097 42.059 0.086 0.000 1.383 382 L HN 0.216 nan 8.230 nan 0.000 0.582 383 G N 1.260 110.181 108.800 0.202 0.000 2.480 383 G HA2 -0.225 3.736 3.960 0.000 0.000 0.216 383 G HA3 -0.225 3.736 3.960 0.000 0.000 0.216 383 G C 1.435 176.487 174.900 0.254 0.000 1.200 383 G CA 0.842 46.062 45.100 0.200 0.000 0.782 383 G HN 0.184 nan 8.290 nan 0.000 0.554 384 L N 0.842 122.263 121.223 0.330 0.000 2.013 384 L HA -0.160 4.180 4.340 0.000 0.000 0.212 384 L C 3.485 180.647 176.870 0.486 0.000 1.073 384 L CA 1.236 56.367 54.840 0.486 0.000 0.753 384 L CB -0.588 41.786 42.059 0.525 0.000 0.890 384 L HN 0.326 nan 8.230 nan 0.000 0.432 385 A N 0.082 123.157 122.820 0.425 0.000 1.903 385 A HA -0.282 4.038 4.320 0.000 0.000 0.219 385 A C 2.492 180.070 177.584 -0.010 0.000 1.191 385 A CA 2.218 54.333 52.037 0.131 0.000 0.638 385 A CB -0.839 18.273 19.000 0.186 0.000 0.823 385 A HN 0.458 nan 8.150 nan 0.000 0.451 386 A N -0.738 122.129 122.820 0.077 0.000 1.969 386 A HA 0.262 4.582 4.320 0.000 0.000 0.218 386 A C 2.407 180.016 177.584 0.041 0.000 1.169 386 A CA 1.824 53.882 52.037 0.035 0.000 0.635 386 A CB -0.751 18.284 19.000 0.058 0.000 0.810 386 A HN 1.054 nan 8.150 nan 0.000 0.445 387 A N -1.550 121.352 122.820 0.137 0.000 1.970 387 A HA -0.113 4.207 4.320 0.000 0.000 0.216 387 A C 2.081 179.762 177.584 0.161 0.000 1.170 387 A CA 1.421 53.576 52.037 0.196 0.000 0.645 387 A CB -0.802 18.407 19.000 0.349 0.000 0.816 387 A HN 0.746 nan 8.150 nan 0.000 0.447 388 H N -0.813 118.176 119.070 -0.135 0.000 2.395 388 H HA -0.060 4.496 4.556 0.000 0.000 0.299 388 H C 2.021 177.110 175.328 -0.398 0.000 1.070 388 H CA 1.446 57.168 56.048 -0.544 0.000 1.356 388 H CB 0.036 29.090 29.762 -1.180 0.000 1.401 388 H HN 0.491 nan 8.280 nan 0.000 0.524 389 E N 1.005 120.973 120.200 -0.386 0.000 2.051 389 E HA -0.149 4.202 4.350 0.000 0.000 0.192 389 E C 2.405 178.839 176.600 -0.277 0.000 0.991 389 E CA 0.788 56.980 56.400 -0.346 0.000 0.799 389 E CB -0.230 29.345 29.700 -0.209 0.000 0.748 389 E HN 0.418 nan 8.360 nan 0.000 0.449 390 L N 0.817 121.924 121.223 -0.193 0.000 2.093 390 L HA -0.050 4.290 4.340 0.000 0.000 0.208 390 L C 2.289 179.026 176.870 -0.221 0.000 1.085 390 L CA 2.150 56.876 54.840 -0.189 0.000 0.755 390 L CB -0.811 41.170 42.059 -0.130 0.000 0.904 390 L HN 0.089 nan 8.230 nan 0.000 0.435 391 A N -1.027 121.680 122.820 -0.189 0.000 1.902 391 A HA -0.258 4.062 4.320 0.000 0.000 0.217 391 A C 2.199 179.652 177.584 -0.218 0.000 1.181 391 A CA 1.830 53.775 52.037 -0.154 0.000 0.623 391 A CB -0.591 18.380 19.000 -0.048 0.000 0.818 391 A HN 0.639 nan 8.150 nan 0.000 0.443 392 Q N -0.700 118.891 119.800 -0.348 0.000 2.030 392 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 392 Q C 2.431 178.314 176.000 -0.194 0.000 0.986 392 Q CA 1.808 57.428 55.803 -0.304 0.000 0.843 392 Q CB -0.222 28.275 28.738 -0.402 0.000 0.904 392 Q HN 0.613 nan 8.270 nan 0.000 0.420 393 R N -0.193 120.193 120.500 -0.191 0.000 2.081 393 R HA -0.125 4.215 4.340 0.000 0.000 0.235 393 R C 2.334 178.565 176.300 -0.115 0.000 1.131 393 R CA 1.416 57.436 56.100 -0.133 0.000 0.960 393 R CB -0.420 29.807 30.300 -0.122 0.000 0.856 393 R HN 0.128 nan 8.270 nan 0.000 0.436 394 V N 0.278 120.092 119.914 -0.167 0.000 2.343 394 V HA -0.245 3.876 4.120 0.000 0.000 0.247 394 V C 2.428 178.484 176.094 -0.064 0.000 1.051 394 V CA 2.039 64.263 62.300 -0.126 0.000 1.036 394 V CB -0.399 31.321 31.823 -0.172 0.000 0.654 394 V HN 0.365 nan 8.190 nan 0.000 0.451 395 S N -0.228 115.426 115.700 -0.077 0.000 2.368 395 S HA -0.171 4.299 4.470 0.000 0.000 0.225 395 S C 2.128 176.703 174.600 -0.041 0.000 1.030 395 S CA 1.626 59.794 58.200 -0.053 0.000 0.999 395 S CB -0.283 62.877 63.200 -0.066 0.000 0.844 395 S HN 0.606 nan 8.310 nan 0.000 0.459 396 A N 1.399 124.188 122.820 -0.051 0.000 1.858 396 A HA -0.052 4.268 4.320 0.000 0.000 0.216 396 A C 2.387 179.959 177.584 -0.019 0.000 1.190 396 A CA 2.179 54.194 52.037 -0.037 0.000 0.617 396 A CB -1.277 17.696 19.000 -0.045 0.000 0.827 396 A HN 0.807 nan 8.150 nan 0.000 0.443 397 S N -0.671 115.022 115.700 -0.012 0.000 2.469 397 S HA -0.058 4.412 4.470 0.000 0.000 0.238 397 S C 1.428 176.034 174.600 0.009 0.000 0.998 397 S CA 1.403 59.607 58.200 0.006 0.000 0.957 397 S CB -0.305 62.911 63.200 0.027 0.000 0.764 397 S HN 0.233 nan 8.310 nan 0.000 0.514 398 L N 1.150 122.375 121.223 0.003 0.000 2.307 398 L HA 0.337 4.677 4.340 0.000 0.000 0.211 398 L C 1.314 178.185 176.870 0.001 0.000 1.099 398 L CA 0.837 55.680 54.840 0.006 0.000 0.816 398 L CB -0.555 41.508 42.059 0.007 0.000 0.952 398 L HN 0.323 nan 8.230 nan 0.000 0.455 399 E N 0.000 120.197 120.200 -0.005 0.000 2.725 399 E HA 0.000 4.350 4.350 0.000 0.000 0.291 399 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 399 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 399 E HN 0.000 nan 8.360 nan 0.000 0.440