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 1xx1_1_B DATA FIRST_RESID 1 DATA SEQUENCE ADNRRPIWNL AHMVNAVAQI PDFLDLGANA LEADVTFKGS VPTYTYHGTP DATA SEQUENCE cDFGRDcIRW EYFNVFLKTL REYTTPGNAK YRDGFILFVL DLKTGSLSND DATA SEQUENCE QVRPAGENVA KELLQNYWNN GNNGGRAYVV LSLPDIGHYE FVRGFKEVLK DATA SEQUENCE KEGHEDLLEK VGYDFSGPYL PSLPTLDATH EAYKKAGVDG HIWLSDGLTN DATA SEQUENCE FSPLGDMARL KEAIKSRDSA NGFINKIYYW SVDKVSTTKA ALDVGVDGIM DATA SEQUENCE TNYPNVLIGV LKESGYNDKY RLATYDDNPW ETFKN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.601 177.584 0.029 0.000 1.274 1 A CA 0.000 52.050 52.037 0.023 0.000 0.836 1 A CB 0.000 19.011 19.000 0.018 0.000 0.831 2 D N 2.268 122.690 120.400 0.037 0.000 2.346 2 D HA 0.142 4.782 4.640 -0.001 0.000 0.260 2 D C 0.455 176.805 176.300 0.085 0.000 1.252 2 D CA 0.353 54.379 54.000 0.043 0.000 0.895 2 D CB 0.541 41.360 40.800 0.032 0.000 1.097 2 D HN 0.458 nan 8.370 nan 0.000 0.489 3 N N 3.440 122.189 118.700 0.082 0.000 2.314 3 N HA -0.042 4.697 4.740 -0.001 0.000 0.200 3 N C 0.001 175.659 175.510 0.246 0.000 1.135 3 N CA -0.150 52.988 53.050 0.147 0.000 0.835 3 N CB 0.168 38.699 38.487 0.073 0.000 0.989 3 N HN 0.242 nan 8.380 nan 0.000 0.478 4 R N 0.645 121.212 120.500 0.112 0.000 2.457 4 R HA 0.243 4.583 4.340 -0.001 0.000 0.284 4 R C 0.135 176.281 176.300 -0.256 0.000 1.024 4 R CA -0.766 55.307 56.100 -0.046 0.000 1.025 4 R CB 1.597 31.844 30.300 -0.088 0.000 1.063 4 R HN 0.123 nan 8.270 nan 0.000 0.493 5 R N 3.932 124.060 120.500 -0.619 0.000 2.449 5 R HA 0.096 4.435 4.340 -0.001 0.000 0.296 5 R C -2.134 173.904 176.300 -0.437 0.000 1.047 5 R CA -1.277 54.125 56.100 -1.163 0.000 1.018 5 R CB 0.495 30.273 30.300 -0.869 0.000 0.962 5 R HN 0.326 nan 8.270 nan 0.000 0.428 6 P HA 0.097 nan 4.420 nan 0.000 0.276 6 P C -0.685 176.520 177.300 -0.158 0.000 1.235 6 P CA -0.076 62.879 63.100 -0.241 0.000 0.772 6 P CB 0.809 32.365 31.700 -0.239 0.000 0.871 7 I N 3.278 123.729 120.570 -0.198 0.000 2.441 7 I HA 0.302 4.472 4.170 -0.001 0.000 0.295 7 I C 0.365 176.425 176.117 -0.094 0.000 0.994 7 I CA -0.967 60.325 61.300 -0.012 0.000 1.144 7 I CB 1.083 39.082 38.000 -0.001 0.000 1.314 7 I HN 0.309 nan 8.210 nan 0.000 0.445 8 W N 4.803 126.124 121.300 0.034 0.000 2.331 8 W HA 0.196 4.856 4.660 -0.001 0.000 0.306 8 W C 0.406 176.996 176.519 0.120 0.000 1.162 8 W CA -0.470 56.945 57.345 0.116 0.000 1.232 8 W CB 1.354 30.960 29.460 0.243 0.000 1.235 8 W HN 0.451 nan 8.180 nan 0.000 0.479 9 N N 4.604 123.442 118.700 0.229 0.000 2.678 9 N HA 0.235 4.974 4.740 -0.001 0.000 0.231 9 N C -1.224 174.416 175.510 0.217 0.000 1.038 9 N CA -0.150 53.010 53.050 0.184 0.000 0.932 9 N CB 0.094 38.643 38.487 0.103 0.000 1.176 9 N HN 0.275 nan 8.380 nan 0.000 0.511 10 L N 2.190 123.565 121.223 0.253 0.000 2.261 10 L HA 0.476 4.815 4.340 -0.001 0.000 0.289 10 L C 0.756 177.711 176.870 0.141 0.000 1.059 10 L CA -0.686 54.294 54.840 0.232 0.000 0.816 10 L CB 1.091 43.322 42.059 0.287 0.000 1.191 10 L HN 0.388 nan 8.230 nan 0.000 0.431 11 A N 3.434 126.280 122.820 0.044 0.000 2.491 11 A HA 0.070 4.390 4.320 -0.001 0.000 0.261 11 A C 0.018 177.473 177.584 -0.215 0.000 1.101 11 A CA -0.138 51.812 52.037 -0.146 0.000 0.772 11 A CB -0.309 18.487 19.000 -0.341 0.000 1.043 11 A HN 0.791 nan 8.150 nan 0.000 0.501 12 H N 3.152 122.037 119.070 -0.309 0.000 2.722 12 H HA 0.244 4.800 4.556 -0.001 0.000 0.328 12 H C 0.501 175.605 175.328 -0.372 0.000 1.067 12 H CA 0.234 56.132 56.048 -0.250 0.000 1.447 12 H CB 0.242 29.922 29.762 -0.136 0.000 1.469 12 H HN 0.857 nan 8.280 nan 0.000 0.544 13 M N 4.459 123.653 119.600 -0.676 0.000 2.632 13 M HA -0.200 4.280 4.480 -0.001 0.000 0.184 13 M C -1.695 174.331 176.300 -0.456 0.000 0.976 13 M CA 0.164 55.074 55.300 -0.649 0.000 0.612 13 M CB -0.827 31.188 32.600 -0.975 0.000 1.181 13 M HN 0.256 nan 8.290 nan 0.000 0.840 14 V N 2.714 122.411 119.914 -0.361 0.000 2.240 14 V HA 0.188 4.308 4.120 -0.001 0.000 0.265 14 V C 0.709 176.774 176.094 -0.048 0.000 1.073 14 V CA 0.108 62.269 62.300 -0.231 0.000 0.857 14 V CB 0.986 32.640 31.823 -0.283 0.000 1.114 14 V HN 0.676 nan 8.190 nan 0.000 0.469 15 N N 2.061 120.728 118.700 -0.054 0.000 2.220 15 N HA 0.358 5.097 4.740 -0.001 0.000 0.195 15 N C 0.571 176.130 175.510 0.081 0.000 1.123 15 N CA 0.135 53.113 53.050 -0.120 0.000 0.874 15 N CB 0.826 39.273 38.487 -0.068 0.000 0.995 15 N HN 0.671 nan 8.380 nan 0.000 0.498 16 A N 0.364 123.292 122.820 0.180 0.000 2.337 16 A HA 0.411 4.730 4.320 -0.001 0.000 0.329 16 A C 1.293 179.006 177.584 0.215 0.000 1.146 16 A CA -0.745 51.379 52.037 0.145 0.000 0.800 16 A CB 0.804 19.818 19.000 0.024 0.000 1.220 16 A HN 0.028 nan 8.150 nan 0.000 0.472 17 V N -0.128 119.866 119.914 0.134 0.000 2.515 17 V HA -0.098 4.021 4.120 -0.001 0.000 0.250 17 V C 2.218 178.325 176.094 0.021 0.000 1.058 17 V CA 2.299 64.616 62.300 0.028 0.000 1.064 17 V CB -1.550 30.260 31.823 -0.021 0.000 0.675 17 V HN 1.070 nan 8.190 nan 0.000 0.461 18 A N 0.002 122.835 122.820 0.021 0.000 2.024 18 A HA -0.232 4.087 4.320 -0.001 0.000 0.220 18 A C 2.221 179.814 177.584 0.015 0.000 1.164 18 A CA 1.985 54.030 52.037 0.013 0.000 0.643 18 A CB -0.582 18.416 19.000 -0.003 0.000 0.806 18 A HN 0.702 nan 8.150 nan 0.000 0.451 19 Q N -0.726 119.110 119.800 0.060 0.000 2.311 19 Q HA 0.039 4.379 4.340 -0.001 0.000 0.203 19 Q C 1.797 177.872 176.000 0.124 0.000 0.954 19 Q CA 0.703 56.581 55.803 0.125 0.000 0.885 19 Q CB -0.219 28.690 28.738 0.286 0.000 0.963 19 Q HN 0.755 nan 8.270 nan 0.000 0.471 20 I N 1.809 122.362 120.570 -0.028 0.000 2.099 20 I HA -0.242 3.928 4.170 -0.001 0.000 0.239 20 I C -0.656 175.248 176.117 -0.355 0.000 1.066 20 I CA 1.247 62.398 61.300 -0.249 0.000 1.324 20 I CB -1.364 36.331 38.000 -0.509 0.000 1.037 20 I HN 0.163 nan 8.210 nan 0.000 0.401 21 P HA -0.125 nan 4.420 nan 0.000 0.219 21 P C 0.792 177.993 177.300 -0.165 0.000 1.150 21 P CA 1.508 64.443 63.100 -0.276 0.000 0.814 21 P CB -0.099 31.548 31.700 -0.089 0.000 0.787 22 D N -0.457 119.858 120.400 -0.143 0.000 2.097 22 D HA -0.128 4.512 4.640 -0.001 0.000 0.195 22 D C 1.848 177.987 176.300 -0.268 0.000 0.989 22 D CA 1.114 54.989 54.000 -0.208 0.000 0.827 22 D CB -0.968 39.669 40.800 -0.271 0.000 0.966 22 D HN 0.149 nan 8.370 nan 0.000 0.456 23 F N 0.573 120.440 119.950 -0.138 0.000 2.186 23 F HA -0.014 4.513 4.527 -0.001 0.000 0.299 23 F C 2.383 178.088 175.800 -0.158 0.000 1.090 23 F CA 0.544 58.467 58.000 -0.129 0.000 1.307 23 F CB -0.410 38.507 39.000 -0.138 0.000 1.019 23 F HN -0.068 nan 8.300 nan 0.000 0.489 24 L N -0.450 120.724 121.223 -0.082 0.000 2.046 24 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 24 L C 1.981 178.805 176.870 -0.078 0.000 1.077 24 L CA 1.178 55.931 54.840 -0.145 0.000 0.747 24 L CB -0.705 41.185 42.059 -0.282 0.000 0.896 24 L HN 0.051 nan 8.230 nan 0.000 0.432 25 D N 0.265 120.614 120.400 -0.086 0.000 2.182 25 D HA -0.150 4.490 4.640 -0.001 0.000 0.201 25 D C 2.308 178.580 176.300 -0.047 0.000 0.986 25 D CA 1.122 55.084 54.000 -0.063 0.000 0.847 25 D CB -0.095 40.661 40.800 -0.074 0.000 0.942 25 D HN 0.291 nan 8.370 nan 0.000 0.467 26 L N -0.958 120.236 121.223 -0.048 0.000 2.376 26 L HA 0.071 4.411 4.340 -0.001 0.000 0.219 26 L C 1.631 178.514 176.870 0.022 0.000 1.133 26 L CA 0.906 55.737 54.840 -0.015 0.000 0.816 26 L CB 0.033 42.084 42.059 -0.012 0.000 0.933 26 L HN 0.218 nan 8.230 nan 0.000 0.449 27 G N -1.171 107.641 108.800 0.020 0.000 2.273 27 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.162 27 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.162 27 G C 0.323 175.245 174.900 0.037 0.000 1.006 27 G CA -0.254 44.860 45.100 0.023 0.000 0.704 27 G HN 0.374 nan 8.290 nan 0.000 0.487 28 A N 0.779 123.631 122.820 0.054 0.000 2.531 28 A HA 0.489 4.809 4.320 -0.001 0.000 0.236 28 A C 1.239 178.852 177.584 0.049 0.000 1.062 28 A CA 1.008 53.085 52.037 0.066 0.000 0.760 28 A CB 0.182 19.222 19.000 0.067 0.000 0.995 28 A HN 1.031 nan 8.150 nan 0.000 0.501 29 N N 0.563 119.324 118.700 0.100 0.000 2.205 29 N HA 0.417 5.156 4.740 -0.001 0.000 0.201 29 N C -0.176 175.556 175.510 0.371 0.000 1.128 29 N CA 0.609 53.758 53.050 0.164 0.000 0.867 29 N CB 0.312 38.827 38.487 0.047 0.000 0.996 29 N HN 0.838 nan 8.380 nan 0.000 0.503 30 A N -0.084 122.929 122.820 0.322 0.000 2.609 30 A HA 0.746 5.065 4.320 -0.001 0.000 0.291 30 A C -1.729 176.012 177.584 0.262 0.000 1.096 30 A CA -0.839 51.479 52.037 0.468 0.000 0.684 30 A CB 0.936 20.236 19.000 0.501 0.000 1.282 30 A HN 0.278 nan 8.150 nan 0.000 0.412 31 L N -2.010 119.419 121.223 0.343 0.000 2.409 31 L HA 0.920 5.259 4.340 -0.001 0.000 0.255 31 L C -0.557 176.433 176.870 0.200 0.000 1.027 31 L CA -0.510 54.415 54.840 0.141 0.000 0.834 31 L CB 1.881 43.930 42.059 -0.016 0.000 1.426 31 L HN 0.719 nan 8.230 nan 0.000 0.411 32 E N 1.003 121.247 120.200 0.074 0.000 2.199 32 E HA 0.807 5.157 4.350 -0.001 0.000 0.269 32 E C -1.706 174.883 176.600 -0.019 0.000 0.899 32 E CA -0.726 55.714 56.400 0.067 0.000 0.772 32 E CB 2.165 31.895 29.700 0.050 0.000 1.155 32 E HN 1.048 nan 8.360 nan 0.000 0.408 33 A N 4.128 126.945 122.820 -0.005 0.000 2.401 33 A HA 0.489 4.808 4.320 -0.001 0.000 0.310 33 A C -1.062 176.447 177.584 -0.124 0.000 1.075 33 A CA -0.816 51.124 52.037 -0.161 0.000 0.746 33 A CB 1.198 19.959 19.000 -0.399 0.000 1.277 33 A HN 0.614 nan 8.150 nan 0.000 0.425 34 D N 1.698 122.007 120.400 -0.152 0.000 2.280 34 D HA 0.385 5.025 4.640 -0.001 0.000 0.236 34 D C -0.725 175.511 176.300 -0.107 0.000 1.082 34 D CA 0.061 54.000 54.000 -0.102 0.000 0.834 34 D CB 1.871 42.616 40.800 -0.091 0.000 1.100 34 D HN 0.144 nan 8.370 nan 0.000 0.486 35 V N 3.052 122.896 119.914 -0.116 0.000 2.333 35 V HA 0.181 4.301 4.120 -0.001 0.000 0.274 35 V C 0.916 176.901 176.094 -0.181 0.000 1.028 35 V CA -0.521 61.614 62.300 -0.276 0.000 0.851 35 V CB 1.119 32.658 31.823 -0.474 0.000 1.000 35 V HN 0.598 nan 8.190 nan 0.000 0.456 36 T N 2.450 116.904 114.554 -0.166 0.000 2.913 36 T HA 0.690 5.039 4.350 -0.001 0.000 0.287 36 T C -0.732 173.800 174.700 -0.281 0.000 1.008 36 T CA -0.295 61.796 62.100 -0.015 0.000 1.067 36 T CB 0.902 69.867 68.868 0.161 0.000 0.996 36 T HN 0.192 nan 8.240 nan 0.000 0.513 37 F N 0.886 120.803 119.950 -0.055 0.000 2.532 37 F HA 0.534 5.060 4.527 -0.001 0.000 0.321 37 F C 0.463 176.233 175.800 -0.050 0.000 1.089 37 F CA -1.194 56.768 58.000 -0.064 0.000 0.926 37 F CB 2.261 41.236 39.000 -0.041 0.000 1.168 37 F HN 0.272 nan 8.300 nan 0.000 0.459 38 K N 2.629 123.077 120.400 0.080 0.000 2.404 38 K HA 0.495 4.814 4.320 -0.001 0.000 0.257 38 K C 0.506 177.157 176.600 0.086 0.000 1.026 38 K CA -0.061 56.257 56.287 0.052 0.000 0.951 38 K CB 0.916 33.402 32.500 -0.024 0.000 1.203 38 K HN 0.853 nan 8.250 nan 0.000 0.446 39 G N 2.393 111.246 108.800 0.088 0.000 2.596 39 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.295 39 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.295 39 G C 0.747 175.730 174.900 0.139 0.000 1.240 39 G CA 0.620 45.762 45.100 0.071 0.000 0.985 39 G HN 0.563 nan 8.290 nan 0.000 0.555 40 S N -0.772 114.998 115.700 0.116 0.000 2.607 40 S HA 0.372 4.841 4.470 -0.001 0.000 0.224 40 S C 0.751 175.546 174.600 0.325 0.000 0.969 40 S CA 0.941 59.244 58.200 0.172 0.000 0.927 40 S CB 0.212 63.454 63.200 0.069 0.000 0.772 40 S HN 1.267 nan 8.310 nan 0.000 0.533 41 V N 4.967 125.023 119.914 0.238 0.000 2.348 41 V HA 0.368 4.487 4.120 -0.001 0.000 0.270 41 V C -2.284 173.738 176.094 -0.119 0.000 1.037 41 V CA -2.224 60.133 62.300 0.096 0.000 0.872 41 V CB 0.783 32.620 31.823 0.023 0.000 1.002 41 V HN 0.264 nan 8.190 nan 0.000 0.464 42 P HA 0.207 nan 4.420 nan 0.000 0.271 42 P C 0.140 177.149 177.300 -0.484 0.000 1.226 42 P CA 0.189 62.664 63.100 -1.042 0.000 0.765 42 P CB 1.525 32.645 31.700 -0.966 0.000 0.835 43 T N 1.991 116.224 114.554 -0.534 0.000 3.182 43 T HA 0.160 4.509 4.350 -0.001 0.000 0.244 43 T C 0.043 174.516 174.700 -0.377 0.000 0.981 43 T CA 0.856 62.687 62.100 -0.449 0.000 1.182 43 T CB -0.142 68.326 68.868 -0.667 0.000 1.043 43 T HN 0.326 nan 8.240 nan 0.000 0.424 44 Y N 1.556 121.845 120.300 -0.019 0.000 2.570 44 Y HA 0.502 5.052 4.550 -0.001 0.000 0.345 44 Y C 0.228 176.148 175.900 0.032 0.000 1.014 44 Y CA -1.497 56.655 58.100 0.087 0.000 1.063 44 Y CB 1.325 39.810 38.460 0.042 0.000 1.272 44 Y HN -0.059 nan 8.280 nan 0.000 0.477 45 T N -0.355 114.368 114.554 0.282 0.000 2.744 45 T HA 0.546 4.895 4.350 -0.001 0.000 0.291 45 T C -1.322 173.512 174.700 0.224 0.000 0.957 45 T CA -0.533 61.584 62.100 0.029 0.000 1.002 45 T CB 0.505 69.110 68.868 -0.439 0.000 0.919 45 T HN 0.625 nan 8.240 nan 0.000 0.468 46 Y N 2.190 122.493 120.300 0.005 0.000 2.380 46 Y HA 0.263 4.813 4.550 -0.001 0.000 0.320 46 Y C -0.170 175.744 175.900 0.023 0.000 1.272 46 Y CA -1.036 57.089 58.100 0.042 0.000 1.165 46 Y CB 0.715 39.185 38.460 0.017 0.000 1.319 46 Y HN 0.778 nan 8.280 nan 0.000 0.443 47 H N 3.615 122.262 119.070 -0.705 0.000 2.393 47 H HA 0.465 5.021 4.556 -0.001 0.000 0.307 47 H C 0.774 175.604 175.328 -0.829 0.000 1.038 47 H CA 2.005 57.705 56.048 -0.579 0.000 1.351 47 H CB 0.777 30.312 29.762 -0.378 0.000 1.464 47 H HN 1.257 nan 8.280 nan 0.000 0.575 48 G N 0.543 108.777 108.800 -0.944 0.000 2.756 48 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.678 48 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.678 48 G C -0.203 174.702 174.900 0.008 0.000 1.349 48 G CA -0.009 44.788 45.100 -0.506 0.000 0.847 48 G HN 0.671 nan 8.290 nan 0.000 0.548 49 T N 0.253 114.830 114.554 0.039 0.000 2.909 49 T HA 0.753 5.102 4.350 -0.001 0.000 0.286 49 T C -1.396 173.354 174.700 0.083 0.000 1.002 49 T CA -0.475 61.670 62.100 0.076 0.000 1.074 49 T CB 1.706 70.610 68.868 0.060 0.000 0.984 49 T HN 0.814 nan 8.240 nan 0.000 0.495 50 P HA 0.608 nan 4.420 nan 0.000 0.278 50 P C -0.530 176.873 177.300 0.172 0.000 1.258 50 P CA -0.631 62.539 63.100 0.116 0.000 0.811 50 P CB 0.532 32.298 31.700 0.110 0.000 1.063 51 c N -1.930 116.722 118.600 0.088 0.000 3.335 51 c HA 0.499 5.068 4.570 -0.001 0.000 0.356 51 c C -0.678 173.442 174.090 0.050 0.000 1.570 51 c CA -0.873 55.453 56.329 -0.006 0.000 1.271 51 c CB 0.693 43.013 42.510 -0.317 0.000 1.873 51 c HN 0.485 nan 8.230 nan 0.000 0.439 52 D N 0.878 121.310 120.400 0.053 0.000 2.506 52 D HA 0.181 4.821 4.640 -0.001 0.000 0.234 52 D C -0.260 176.131 176.300 0.152 0.000 1.143 52 D CA 0.557 54.642 54.000 0.142 0.000 0.871 52 D CB 0.090 40.990 40.800 0.167 0.000 1.190 52 D HN 0.536 nan 8.370 nan 0.000 0.459 53 F N 0.952 120.949 119.950 0.078 0.000 2.629 53 F HA 0.212 4.739 4.527 -0.001 0.000 0.369 53 F C 1.724 177.597 175.800 0.123 0.000 1.125 53 F CA 1.521 59.572 58.000 0.084 0.000 1.330 53 F CB 0.458 39.505 39.000 0.079 0.000 1.071 53 F HN 0.537 nan 8.300 nan 0.000 0.595 54 G N 3.516 112.012 108.800 -0.507 0.000 2.143 54 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.249 54 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.249 54 G C -0.050 174.834 174.900 -0.026 0.000 0.981 54 G CA -0.218 44.759 45.100 -0.206 0.000 0.665 54 G HN 0.621 nan 8.290 nan 0.000 0.528 55 R N 0.361 120.823 120.500 -0.063 0.000 2.686 55 R HA 0.454 4.794 4.340 -0.001 0.000 0.286 55 R C -1.155 175.109 176.300 -0.061 0.000 0.969 55 R CA -0.965 55.117 56.100 -0.030 0.000 0.898 55 R CB 1.172 31.448 30.300 -0.039 0.000 1.183 55 R HN 0.138 nan 8.270 nan 0.000 0.456 56 D N 0.790 121.169 120.400 -0.035 0.000 2.351 56 D HA 0.099 4.738 4.640 -0.001 0.000 0.251 56 D C 0.611 176.884 176.300 -0.045 0.000 1.137 56 D CA -0.061 53.923 54.000 -0.026 0.000 0.879 56 D CB 1.140 41.941 40.800 0.002 0.000 1.181 56 D HN 0.462 nan 8.370 nan 0.000 0.448 57 c N 1.458 120.032 118.600 -0.043 0.000 2.780 57 c HA 0.122 4.691 4.570 -0.001 0.000 0.267 57 c C 1.879 175.924 174.090 -0.076 0.000 1.266 57 c CA -0.355 55.919 56.329 -0.091 0.000 1.709 57 c CB -0.957 41.524 42.510 -0.049 0.000 1.975 57 c HN 0.651 nan 8.230 nan 0.000 0.582 58 I N -2.768 117.827 120.570 0.042 0.000 3.936 58 I HA 0.347 4.517 4.170 -0.001 0.000 0.330 58 I C 0.243 176.571 176.117 0.351 0.000 1.509 58 I CA -0.240 61.187 61.300 0.211 0.000 1.126 58 I CB -0.242 37.915 38.000 0.261 0.000 1.115 58 I HN -0.099 nan 8.210 nan 0.000 0.424 59 R N 3.284 123.917 120.500 0.222 0.000 2.643 59 R HA 0.264 4.604 4.340 -0.001 0.000 0.270 59 R C -0.788 175.730 176.300 0.363 0.000 1.061 59 R CA 0.187 56.425 56.100 0.231 0.000 1.107 59 R CB 0.495 30.857 30.300 0.104 0.000 0.999 59 R HN 0.647 nan 8.270 nan 0.000 0.460 60 W N 0.133 121.466 121.300 0.055 0.000 3.005 60 W HA 0.588 5.248 4.660 -0.000 0.000 0.343 60 W C -1.281 175.240 176.519 0.004 0.000 1.243 60 W CA -0.719 56.644 57.345 0.029 0.000 1.186 60 W CB 1.107 30.521 29.460 -0.075 0.000 1.453 60 W HN 0.451 nan 8.180 nan 0.000 0.575 61 E N 0.129 120.385 120.200 0.094 0.000 2.412 61 E HA 0.434 4.784 4.350 -0.001 0.000 0.279 61 E C -1.815 174.960 176.600 0.291 0.000 0.984 61 E CA -0.835 55.498 56.400 -0.111 0.000 0.788 61 E CB 1.318 31.118 29.700 0.166 0.000 1.277 61 E HN 0.258 nan 8.360 nan 0.000 0.455 62 Y N 2.683 123.236 120.300 0.422 0.000 2.610 62 Y HA 0.035 4.584 4.550 -0.001 0.000 0.332 62 Y C 1.378 177.499 175.900 0.369 0.000 1.201 62 Y CA 0.361 58.734 58.100 0.456 0.000 1.465 62 Y CB 0.156 38.800 38.460 0.306 0.000 1.283 62 Y HN 0.627 nan 8.280 nan 0.000 0.563 63 F N 3.586 123.707 119.950 0.285 0.000 2.091 63 F HA -0.332 4.195 4.527 -0.001 0.000 0.299 63 F C 1.826 177.747 175.800 0.202 0.000 1.103 63 F CA 2.161 60.265 58.000 0.173 0.000 1.228 63 F CB -0.498 38.521 39.000 0.031 0.000 0.984 63 F HN 0.697 nan 8.300 nan 0.000 0.477 64 N N 0.422 119.180 118.700 0.096 0.000 2.069 64 N HA -0.186 4.553 4.740 -0.001 0.000 0.191 64 N C 1.730 177.231 175.510 -0.015 0.000 1.031 64 N CA 2.152 55.165 53.050 -0.061 0.000 0.852 64 N CB -1.397 37.090 38.487 -0.001 0.000 1.018 64 N HN 0.278 nan 8.380 nan 0.000 0.423 65 V N 0.122 120.104 119.914 0.113 0.000 2.343 65 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 65 V C 2.063 178.210 176.094 0.089 0.000 1.051 65 V CA 1.530 63.893 62.300 0.105 0.000 1.036 65 V CB -0.874 31.060 31.823 0.185 0.000 0.654 65 V HN 0.183 nan 8.190 nan 0.000 0.451 66 F N 0.216 120.175 119.950 0.015 0.000 2.095 66 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 66 F C 2.112 177.849 175.800 -0.105 0.000 1.104 66 F CA 1.757 59.748 58.000 -0.015 0.000 1.232 66 F CB -0.174 38.859 39.000 0.055 0.000 0.987 66 F HN 0.012 nan 8.300 nan 0.000 0.475 67 L N -0.093 121.099 121.223 -0.053 0.000 2.046 67 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 67 L C 2.394 179.223 176.870 -0.069 0.000 1.077 67 L CA 1.600 56.344 54.840 -0.159 0.000 0.747 67 L CB -0.736 41.147 42.059 -0.293 0.000 0.896 67 L HN 0.074 nan 8.230 nan 0.000 0.432 68 K N -0.595 119.758 120.400 -0.079 0.000 2.152 68 K HA -0.145 4.174 4.320 -0.001 0.000 0.206 68 K C 2.035 178.587 176.600 -0.080 0.000 1.048 68 K CA 1.804 58.050 56.287 -0.069 0.000 0.933 68 K CB -0.247 32.215 32.500 -0.062 0.000 0.721 68 K HN 0.321 nan 8.250 nan 0.000 0.447 69 T N 1.739 116.227 114.554 -0.111 0.000 2.812 69 T HA -0.036 4.313 4.350 -0.001 0.000 0.264 69 T C 1.843 176.538 174.700 -0.008 0.000 1.042 69 T CA 0.793 62.832 62.100 -0.101 0.000 1.140 69 T CB -0.139 68.647 68.868 -0.137 0.000 0.870 69 T HN 0.096 nan 8.240 nan 0.000 0.445 70 L N 0.774 121.919 121.223 -0.131 0.000 2.042 70 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 70 L C 2.855 179.846 176.870 0.201 0.000 1.076 70 L CA 1.458 56.294 54.840 -0.008 0.000 0.749 70 L CB -0.534 41.257 42.059 -0.447 0.000 0.893 70 L HN 0.199 nan 8.230 nan 0.000 0.432 71 R N 0.592 121.169 120.500 0.128 0.000 2.083 71 R HA -0.211 4.129 4.340 -0.001 0.000 0.237 71 R C 2.121 178.386 176.300 -0.059 0.000 1.137 71 R CA 1.859 57.903 56.100 -0.093 0.000 0.951 71 R CB -0.150 30.012 30.300 -0.231 0.000 0.851 71 R HN 0.415 nan 8.270 nan 0.000 0.434 72 E N -0.689 119.463 120.200 -0.080 0.000 2.085 72 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 72 E C 1.707 178.242 176.600 -0.109 0.000 0.994 72 E CA 1.532 57.835 56.400 -0.161 0.000 0.801 72 E CB -0.174 29.336 29.700 -0.315 0.000 0.743 72 E HN 0.492 nan 8.360 nan 0.000 0.453 73 Y N 0.243 120.603 120.300 0.100 0.000 2.561 73 Y HA -0.047 4.503 4.550 -0.001 0.000 0.291 73 Y C 1.909 177.947 175.900 0.230 0.000 1.141 73 Y CA 1.237 59.451 58.100 0.190 0.000 1.303 73 Y CB 0.383 39.026 38.460 0.306 0.000 1.015 73 Y HN 0.072 nan 8.280 nan 0.000 0.547 74 T N -5.029 109.707 114.554 0.303 0.000 3.275 74 T HA 0.202 4.551 4.350 -0.001 0.000 0.298 74 T C 0.182 175.016 174.700 0.222 0.000 0.988 74 T CA -0.267 61.991 62.100 0.263 0.000 0.936 74 T CB -0.219 68.702 68.868 0.088 0.000 1.159 74 T HN -0.135 nan 8.240 nan 0.000 0.519 75 T N 4.916 119.555 114.554 0.142 0.000 2.770 75 T HA 0.459 4.808 4.350 -0.001 0.000 0.297 75 T C -2.813 171.608 174.700 -0.464 0.000 0.997 75 T CA -1.354 60.671 62.100 -0.125 0.000 0.949 75 T CB 1.270 70.053 68.868 -0.142 0.000 0.941 75 T HN 0.047 nan 8.240 nan 0.000 0.457 76 P HA 0.178 nan 4.420 nan 0.000 0.264 76 P C 1.141 178.048 177.300 -0.654 0.000 1.183 76 P CA 1.034 63.320 63.100 -1.358 0.000 0.763 76 P CB 0.383 31.631 31.700 -0.754 0.000 0.807 77 G N 1.997 110.490 108.800 -0.511 0.000 2.241 77 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.244 77 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.244 77 G C 0.541 175.360 174.900 -0.136 0.000 0.998 77 G CA -0.297 44.671 45.100 -0.220 0.000 0.621 77 G HN 0.668 nan 8.290 nan 0.000 0.519 78 N N 1.288 119.903 118.700 -0.141 0.000 2.492 78 N HA 0.374 5.113 4.740 -0.001 0.000 0.260 78 N C 1.775 177.287 175.510 0.002 0.000 1.215 78 N CA 0.773 53.787 53.050 -0.061 0.000 0.923 78 N CB 1.044 39.500 38.487 -0.051 0.000 1.092 78 N HN 0.579 nan 8.380 nan 0.000 0.448 79 A N 4.508 127.312 122.820 -0.027 0.000 1.997 79 A HA -0.173 4.147 4.320 -0.001 0.000 0.221 79 A C 1.726 179.308 177.584 -0.004 0.000 1.172 79 A CA 1.554 53.582 52.037 -0.014 0.000 0.645 79 A CB -0.121 18.856 19.000 -0.038 0.000 0.813 79 A HN 0.794 nan 8.150 nan 0.000 0.454 80 K N -1.900 118.469 120.400 -0.051 0.000 2.374 80 K HA 0.087 4.407 4.320 -0.001 0.000 0.196 80 K C -0.238 176.396 176.600 0.056 0.000 1.023 80 K CA -0.437 55.786 56.287 -0.107 0.000 1.103 80 K CB 0.103 32.315 32.500 -0.480 0.000 0.848 80 K HN 0.512 nan 8.250 nan 0.000 0.528 81 Y N 3.062 123.349 120.300 -0.020 0.000 2.805 81 Y HA -0.132 4.418 4.550 -0.001 0.000 0.331 81 Y C -0.252 175.722 175.900 0.123 0.000 1.241 81 Y CA 0.016 58.145 58.100 0.049 0.000 1.546 81 Y CB 0.359 38.820 38.460 0.002 0.000 1.248 81 Y HN -0.135 nan 8.280 nan 0.000 0.559 82 R N 6.096 126.448 120.500 -0.247 0.000 2.275 82 R HA 0.098 4.437 4.340 -0.001 0.000 0.326 82 R C 0.497 176.401 176.300 -0.660 0.000 0.973 82 R CA -0.297 55.635 56.100 -0.279 0.000 0.854 82 R CB 0.758 31.102 30.300 0.074 0.000 1.156 82 R HN 0.843 nan 8.270 nan 0.000 0.487 83 D N 1.653 121.544 120.400 -0.848 0.000 2.263 83 D HA -0.107 4.532 4.640 -0.001 0.000 0.208 83 D C 1.364 177.572 176.300 -0.154 0.000 0.971 83 D CA 1.033 54.669 54.000 -0.607 0.000 0.867 83 D CB -0.037 40.620 40.800 -0.237 0.000 0.929 83 D HN 0.608 nan 8.370 nan 0.000 0.492 84 G N -0.977 107.780 108.800 -0.073 0.000 2.848 84 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.208 84 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.208 84 G C -0.202 174.804 174.900 0.176 0.000 1.152 84 G CA -0.316 44.810 45.100 0.043 0.000 0.789 84 G HN 0.252 nan 8.290 nan 0.000 0.531 85 F N 2.294 122.241 119.950 -0.004 0.000 2.334 85 F HA 0.481 5.007 4.527 -0.001 0.000 0.367 85 F C 0.821 176.743 175.800 0.203 0.000 1.115 85 F CA -2.857 55.193 58.000 0.083 0.000 1.116 85 F CB 0.708 39.736 39.000 0.046 0.000 1.230 85 F HN 0.096 nan 8.300 nan 0.000 0.484 86 I N 3.944 124.737 120.570 0.372 0.000 4.288 86 I HA 0.446 4.615 4.170 -0.001 0.000 0.331 86 I C -1.096 175.258 176.117 0.395 0.000 1.322 86 I CA 0.013 61.547 61.300 0.391 0.000 1.149 86 I CB 0.841 39.098 38.000 0.428 0.000 1.112 86 I HN 0.415 nan 8.210 nan 0.000 0.403 87 L N 1.948 123.380 121.223 0.349 0.000 2.591 87 L HA 0.573 4.913 4.340 -0.001 0.000 0.257 87 L C -1.910 175.165 176.870 0.341 0.000 0.935 87 L CA -0.676 54.298 54.840 0.223 0.000 0.873 87 L CB 2.375 44.536 42.059 0.169 0.000 1.397 87 L HN 0.224 nan 8.230 nan 0.000 0.414 88 F N 2.362 122.327 119.950 0.026 0.000 2.588 88 F HA 0.866 5.392 4.527 -0.001 0.000 0.314 88 F C -1.357 174.414 175.800 -0.048 0.000 1.069 88 F CA -1.187 56.864 58.000 0.084 0.000 0.931 88 F CB 1.524 40.623 39.000 0.166 0.000 1.260 88 F HN 0.075 nan 8.300 nan 0.000 0.465 89 V N 3.549 123.543 119.914 0.134 0.000 2.398 89 V HA 0.370 4.490 4.120 -0.001 0.000 0.286 89 V C -0.167 176.006 176.094 0.131 0.000 1.026 89 V CA -0.755 61.540 62.300 -0.009 0.000 0.868 89 V CB 1.599 33.410 31.823 -0.020 0.000 0.982 89 V HN 0.687 nan 8.190 nan 0.000 0.443 90 L N 4.109 125.388 121.223 0.094 0.000 2.255 90 L HA 0.419 4.758 4.340 -0.001 0.000 0.289 90 L C -0.099 176.797 176.870 0.043 0.000 1.046 90 L CA -0.386 54.535 54.840 0.135 0.000 0.816 90 L CB 1.069 43.255 42.059 0.212 0.000 1.197 90 L HN 0.583 nan 8.230 nan 0.000 0.427 91 D N 5.219 125.623 120.400 0.008 0.000 2.453 91 D HA 0.233 4.872 4.640 -0.001 0.000 0.223 91 D C -0.374 175.908 176.300 -0.029 0.000 1.183 91 D CA -0.145 53.831 54.000 -0.040 0.000 0.933 91 D CB 0.478 41.226 40.800 -0.086 0.000 1.038 91 D HN 0.289 nan 8.370 nan 0.000 0.513 92 L N 4.412 125.618 121.223 -0.029 0.000 2.278 92 L HA 0.225 4.564 4.340 -0.001 0.000 0.287 92 L C 1.049 177.926 176.870 0.012 0.000 1.072 92 L CA -0.466 54.403 54.840 0.050 0.000 0.819 92 L CB 0.719 42.726 42.059 -0.087 0.000 1.176 92 L HN -0.033 nan 8.230 nan 0.000 0.435 93 K N 2.609 123.104 120.400 0.157 0.000 2.502 93 K HA 0.100 4.420 4.320 -0.001 0.000 0.244 93 K C 1.111 177.695 176.600 -0.026 0.000 1.249 93 K CA -0.029 56.294 56.287 0.060 0.000 1.193 93 K CB -0.110 32.442 32.500 0.088 0.000 1.674 93 K HN 0.620 nan 8.250 nan 0.000 0.302 94 T N -3.709 110.715 114.554 -0.216 0.000 3.144 94 T HA 0.032 4.382 4.350 -0.001 0.000 0.249 94 T C 1.764 176.418 174.700 -0.077 0.000 1.089 94 T CA 0.206 62.089 62.100 -0.362 0.000 0.989 94 T CB 0.306 68.930 68.868 -0.407 0.000 0.992 94 T HN 0.334 nan 8.240 nan 0.000 0.540 95 G N 1.299 110.067 108.800 -0.053 0.000 2.501 95 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.220 95 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.220 95 G C 1.426 176.317 174.900 -0.015 0.000 1.114 95 G CA 0.632 45.711 45.100 -0.035 0.000 0.757 95 G HN 0.576 nan 8.290 nan 0.000 0.559 96 S N -0.357 115.325 115.700 -0.030 0.000 2.539 96 S HA 0.342 4.811 4.470 -0.001 0.000 0.221 96 S C 0.680 175.253 174.600 -0.045 0.000 0.987 96 S CA -0.557 57.627 58.200 -0.027 0.000 0.929 96 S CB 0.239 63.432 63.200 -0.011 0.000 0.832 96 S HN 0.192 nan 8.310 nan 0.000 0.492 97 L N 3.022 124.190 121.223 -0.092 0.000 2.426 97 L HA 0.211 4.550 4.340 -0.001 0.000 0.271 97 L C 1.015 177.814 176.870 -0.118 0.000 1.169 97 L CA -0.480 54.275 54.840 -0.141 0.000 0.836 97 L CB 0.492 42.381 42.059 -0.284 0.000 1.112 97 L HN 0.241 nan 8.230 nan 0.000 0.465 98 S N 1.746 117.389 115.700 -0.096 0.000 2.600 98 S HA -0.014 4.456 4.470 -0.001 0.000 0.265 98 S C 0.985 175.511 174.600 -0.122 0.000 1.325 98 S CA -0.400 57.750 58.200 -0.083 0.000 1.002 98 S CB 0.792 63.956 63.200 -0.060 0.000 0.921 98 S HN 0.780 nan 8.310 nan 0.000 0.554 99 N N 0.675 119.314 118.700 -0.103 0.000 2.149 99 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 99 N C 0.576 176.010 175.510 -0.126 0.000 1.019 99 N CA 1.683 54.657 53.050 -0.126 0.000 0.857 99 N CB -0.430 38.001 38.487 -0.093 0.000 0.997 99 N HN 0.660 nan 8.380 nan 0.000 0.426 100 D N 0.543 120.889 120.400 -0.091 0.000 2.310 100 D HA -0.087 4.552 4.640 -0.001 0.000 0.212 100 D C 1.357 177.609 176.300 -0.080 0.000 0.965 100 D CA 0.810 54.765 54.000 -0.074 0.000 0.879 100 D CB -0.031 40.739 40.800 -0.051 0.000 0.921 100 D HN 0.498 nan 8.370 nan 0.000 0.510 101 Q N -0.534 119.205 119.800 -0.102 0.000 2.408 101 Q HA 0.071 4.411 4.340 -0.001 0.000 0.205 101 Q C 1.950 177.869 176.000 -0.135 0.000 0.919 101 Q CA -0.022 55.723 55.803 -0.097 0.000 0.932 101 Q CB 0.872 29.557 28.738 -0.089 0.000 1.058 101 Q HN 0.120 nan 8.270 nan 0.000 0.517 102 V N 0.667 120.467 119.914 -0.191 0.000 2.323 102 V HA -0.222 3.898 4.120 -0.001 0.000 0.244 102 V C 2.265 178.291 176.094 -0.113 0.000 1.041 102 V CA 1.782 63.942 62.300 -0.233 0.000 1.025 102 V CB -0.374 31.210 31.823 -0.399 0.000 0.656 102 V HN 0.276 nan 8.190 nan 0.000 0.451 103 R N 0.310 120.743 120.500 -0.112 0.000 2.073 103 R HA -0.133 4.206 4.340 -0.001 0.000 0.234 103 R C -0.112 176.126 176.300 -0.104 0.000 1.134 103 R CA 1.884 57.931 56.100 -0.089 0.000 0.952 103 R CB -1.241 29.021 30.300 -0.063 0.000 0.850 103 R HN 0.417 nan 8.270 nan 0.000 0.433 104 P HA -0.092 nan 4.420 nan 0.000 0.218 104 P C 0.704 177.979 177.300 -0.041 0.000 1.148 104 P CA 1.806 64.878 63.100 -0.047 0.000 0.822 104 P CB -0.043 31.643 31.700 -0.023 0.000 0.784 105 A N -0.068 122.729 122.820 -0.040 0.000 1.902 105 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 105 A C 2.495 179.936 177.584 -0.237 0.000 1.181 105 A CA 2.133 54.209 52.037 0.065 0.000 0.623 105 A CB -1.896 17.131 19.000 0.045 0.000 0.818 105 A HN 0.280 nan 8.150 nan 0.000 0.443 106 G N -0.516 107.791 108.800 -0.822 0.000 2.418 106 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.217 106 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.217 106 G C 1.409 176.060 174.900 -0.415 0.000 1.158 106 G CA 0.998 45.164 45.100 -1.557 0.000 0.771 106 G HN 0.659 nan 8.290 nan 0.000 0.545 107 E N 0.677 120.750 120.200 -0.212 0.000 2.077 107 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 107 E C 2.443 179.029 176.600 -0.023 0.000 0.989 107 E CA 1.036 57.385 56.400 -0.084 0.000 0.800 107 E CB -0.065 29.604 29.700 -0.052 0.000 0.746 107 E HN 0.271 nan 8.360 nan 0.000 0.452 108 N N 0.301 119.014 118.700 0.021 0.000 2.188 108 N HA -0.106 4.634 4.740 -0.001 0.000 0.184 108 N C 1.883 177.508 175.510 0.192 0.000 1.018 108 N CA 0.744 53.855 53.050 0.102 0.000 0.858 108 N CB -0.243 38.325 38.487 0.135 0.000 0.989 108 N HN 0.008 nan 8.380 nan 0.000 0.426 109 V N 1.471 121.539 119.914 0.256 0.000 2.358 109 V HA -0.141 3.978 4.120 -0.001 0.000 0.246 109 V C 2.400 178.748 176.094 0.423 0.000 1.047 109 V CA 1.607 64.189 62.300 0.469 0.000 1.035 109 V CB -0.953 31.258 31.823 0.647 0.000 0.658 109 V HN 0.266 nan 8.190 nan 0.000 0.452 110 A N 0.026 122.975 122.820 0.215 0.000 1.883 110 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 110 A C 2.295 179.879 177.584 -0.000 0.000 1.186 110 A CA 2.239 54.141 52.037 -0.224 0.000 0.624 110 A CB -0.483 18.137 19.000 -0.634 0.000 0.822 110 A HN 0.543 nan 8.150 nan 0.000 0.444 111 K N -0.653 119.768 120.400 0.034 0.000 2.057 111 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 111 K C 2.065 178.713 176.600 0.080 0.000 1.049 111 K CA 1.335 57.655 56.287 0.055 0.000 0.931 111 K CB -0.139 32.389 32.500 0.047 0.000 0.714 111 K HN 0.439 nan 8.250 nan 0.000 0.440 112 E N 0.999 121.271 120.200 0.120 0.000 2.051 112 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 112 E C 2.163 178.762 176.600 -0.002 0.000 0.991 112 E CA 1.077 57.516 56.400 0.064 0.000 0.799 112 E CB -0.173 29.623 29.700 0.160 0.000 0.748 112 E HN 0.281 nan 8.360 nan 0.000 0.449 113 L N 0.390 121.647 121.223 0.056 0.000 2.046 113 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 113 L C 2.612 179.518 176.870 0.060 0.000 1.077 113 L CA 0.487 55.279 54.840 -0.080 0.000 0.747 113 L CB -0.385 41.569 42.059 -0.176 0.000 0.896 113 L HN 0.146 nan 8.230 nan 0.000 0.432 114 L N -0.208 121.180 121.223 0.275 0.000 1.989 114 L HA -0.275 4.064 4.340 -0.001 0.000 0.211 114 L C 2.536 179.491 176.870 0.143 0.000 1.071 114 L CA 1.925 56.964 54.840 0.333 0.000 0.749 114 L CB -0.576 41.586 42.059 0.171 0.000 0.890 114 L HN 0.269 nan 8.230 nan 0.000 0.431 115 Q N -1.185 118.656 119.800 0.068 0.000 2.049 115 Q HA -0.103 4.237 4.340 -0.001 0.000 0.198 115 Q C 1.770 177.767 176.000 -0.004 0.000 0.971 115 Q CA 1.598 57.413 55.803 0.021 0.000 0.833 115 Q CB -0.085 28.660 28.738 0.013 0.000 0.896 115 Q HN 0.544 nan 8.270 nan 0.000 0.434 116 N N -1.172 117.516 118.700 -0.021 0.000 2.415 116 N HA -0.040 4.700 4.740 -0.001 0.000 0.174 116 N C 0.978 176.459 175.510 -0.049 0.000 1.048 116 N CA 0.609 53.627 53.050 -0.054 0.000 0.895 116 N CB 0.330 38.760 38.487 -0.096 0.000 1.036 116 N HN 0.216 nan 8.380 nan 0.000 0.449 117 Y N -0.598 119.585 120.300 -0.195 0.000 2.506 117 Y HA 0.144 4.694 4.550 -0.001 0.000 0.287 117 Y C 1.319 177.116 175.900 -0.171 0.000 1.147 117 Y CA 0.644 58.582 58.100 -0.269 0.000 1.241 117 Y CB -0.136 38.049 38.460 -0.458 0.000 1.279 117 Y HN -0.085 nan 8.280 nan 0.000 0.527 118 W N 1.354 122.588 121.300 -0.109 0.000 3.139 118 W HA 0.148 4.808 4.660 -0.001 0.000 0.260 118 W C 0.621 177.019 176.519 -0.201 0.000 1.312 118 W CA 0.697 57.923 57.345 -0.199 0.000 1.606 118 W CB -1.254 28.166 29.460 -0.066 0.000 1.118 118 W HN 0.298 nan 8.180 nan 0.000 0.675 119 N N 1.748 120.461 118.700 0.021 0.000 2.705 119 N HA -0.322 4.418 4.740 -0.001 0.000 0.255 119 N C -0.199 175.290 175.510 -0.035 0.000 1.008 119 N CA 1.511 54.545 53.050 -0.026 0.000 0.742 119 N CB -1.873 36.576 38.487 -0.063 0.000 0.906 119 N HN 0.390 nan 8.380 nan 0.000 0.541 120 N N -1.368 117.300 118.700 -0.053 0.000 2.708 120 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 120 N C 0.916 176.235 175.510 -0.318 0.000 1.097 120 N CA 1.519 54.458 53.050 -0.186 0.000 0.710 120 N CB -1.290 37.168 38.487 -0.048 0.000 1.032 120 N HN 0.974 nan 8.380 nan 0.000 0.551 121 G N -1.153 107.491 108.800 -0.260 0.000 2.179 121 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.260 121 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.260 121 G C -0.152 174.723 174.900 -0.040 0.000 0.977 121 G CA 0.378 45.381 45.100 -0.162 0.000 0.641 121 G HN 0.616 nan 8.290 nan 0.000 0.533 122 N N 1.273 119.950 118.700 -0.038 0.000 2.868 122 N HA 0.396 5.136 4.740 -0.001 0.000 0.252 122 N C 0.497 175.979 175.510 -0.046 0.000 1.130 122 N CA 0.275 53.308 53.050 -0.028 0.000 1.026 122 N CB 0.142 38.616 38.487 -0.022 0.000 1.335 122 N HN 0.470 nan 8.380 nan 0.000 0.516 123 N N 0.934 119.604 118.700 -0.050 0.000 2.726 123 N HA -0.151 4.589 4.740 -0.001 0.000 0.253 123 N C -0.154 175.299 175.510 -0.095 0.000 1.059 123 N CA 0.046 53.052 53.050 -0.073 0.000 0.701 123 N CB -0.678 37.761 38.487 -0.079 0.000 0.899 123 N HN 0.604 nan 8.380 nan 0.000 0.548 124 G N -0.062 108.694 108.800 -0.073 0.000 2.563 124 G HA2 0.582 4.541 3.960 -0.001 0.000 0.283 124 G HA3 0.582 4.541 3.960 -0.001 0.000 0.283 124 G C 0.606 175.379 174.900 -0.212 0.000 1.309 124 G CA 0.056 45.080 45.100 -0.126 0.000 1.022 124 G HN 0.398 nan 8.290 nan 0.000 0.501 125 G N -1.572 106.892 108.800 -0.560 0.000 2.491 125 G HA2 0.389 4.348 3.960 -0.001 0.000 0.242 125 G HA3 0.389 4.348 3.960 -0.001 0.000 0.242 125 G C 0.901 175.769 174.900 -0.052 0.000 1.266 125 G CA -0.206 44.605 45.100 -0.481 0.000 0.844 125 G HN 0.779 nan 8.290 nan 0.000 0.571 126 R N 0.706 121.251 120.500 0.075 0.000 2.312 126 R HA 0.482 4.821 4.340 -0.001 0.000 0.205 126 R C 1.064 177.491 176.300 0.212 0.000 0.904 126 R CA 0.345 56.504 56.100 0.099 0.000 1.052 126 R CB 0.177 30.407 30.300 -0.118 0.000 1.014 126 R HN 0.466 nan 8.270 nan 0.000 0.503 127 A N 1.350 124.354 122.820 0.306 0.000 2.483 127 A HA 0.178 4.498 4.320 -0.001 0.000 0.238 127 A C -0.873 176.784 177.584 0.122 0.000 1.070 127 A CA -0.267 51.922 52.037 0.254 0.000 0.770 127 A CB -0.094 18.986 19.000 0.133 0.000 1.008 127 A HN 0.318 nan 8.150 nan 0.000 0.497 128 Y N 0.330 120.661 120.300 0.052 0.000 2.326 128 Y HA 0.399 4.949 4.550 -0.001 0.000 0.333 128 Y C 0.462 176.117 175.900 -0.408 0.000 1.240 128 Y CA 0.155 58.199 58.100 -0.094 0.000 1.365 128 Y CB 1.071 39.298 38.460 -0.387 0.000 1.289 128 Y HN 0.359 nan 8.280 nan 0.000 0.548 129 V N 3.493 123.298 119.914 -0.181 0.000 2.487 129 V HA 0.367 4.487 4.120 -0.001 0.000 0.298 129 V C -0.723 175.165 176.094 -0.343 0.000 1.028 129 V CA -0.993 60.915 62.300 -0.653 0.000 0.860 129 V CB 1.594 33.007 31.823 -0.683 0.000 0.991 129 V HN 0.458 nan 8.190 nan 0.000 0.427 130 V N 6.068 125.711 119.914 -0.452 0.000 2.370 130 V HA 0.412 4.531 4.120 -0.001 0.000 0.279 130 V C -0.038 175.901 176.094 -0.259 0.000 1.029 130 V CA -0.478 61.575 62.300 -0.412 0.000 0.870 130 V CB 1.598 33.090 31.823 -0.552 0.000 0.984 130 V HN 0.651 nan 8.190 nan 0.000 0.451 131 L N 4.359 125.438 121.223 -0.240 0.000 2.283 131 L HA 0.395 4.735 4.340 -0.001 0.000 0.287 131 L C 0.523 177.415 176.870 0.038 0.000 1.073 131 L CA 0.273 55.061 54.840 -0.086 0.000 0.822 131 L CB 1.174 43.188 42.059 -0.075 0.000 1.186 131 L HN 0.632 nan 8.230 nan 0.000 0.436 132 S N 5.331 121.049 115.700 0.030 0.000 2.420 132 S HA 0.603 5.072 4.470 -0.001 0.000 0.313 132 S C -0.466 174.133 174.600 -0.001 0.000 1.079 132 S CA -0.582 57.678 58.200 0.101 0.000 1.104 132 S CB 0.262 63.529 63.200 0.111 0.000 0.969 132 S HN 0.439 nan 8.310 nan 0.000 0.471 133 L N 7.116 128.365 121.223 0.043 0.000 2.325 133 L HA 0.536 4.875 4.340 -0.001 0.000 0.278 133 L C -1.533 175.260 176.870 -0.128 0.000 1.023 133 L CA -2.103 52.648 54.840 -0.148 0.000 0.811 133 L CB 2.145 44.022 42.059 -0.304 0.000 1.249 133 L HN 0.486 nan 8.230 nan 0.000 0.431 134 P HA 0.067 nan 4.420 nan 0.000 0.257 134 P C -0.671 176.401 177.300 -0.379 0.000 1.281 134 P CA 0.371 63.310 63.100 -0.268 0.000 0.826 134 P CB 0.475 32.016 31.700 -0.265 0.000 1.237 135 D N 0.465 120.584 120.400 -0.470 0.000 2.890 135 D HA 0.107 4.746 4.640 -0.001 0.000 0.233 135 D C 1.307 177.338 176.300 -0.448 0.000 1.306 135 D CA -0.518 53.140 54.000 -0.570 0.000 0.929 135 D CB 1.545 41.640 40.800 -1.175 0.000 1.512 135 D HN -0.110 nan 8.370 nan 0.000 0.568 136 I N 0.770 121.190 120.570 -0.250 0.000 2.567 136 I HA 0.087 4.257 4.170 -0.001 0.000 0.257 136 I C 1.623 177.656 176.117 -0.139 0.000 1.184 136 I CA 1.026 62.228 61.300 -0.164 0.000 1.451 136 I CB -0.044 37.939 38.000 -0.028 0.000 1.089 136 I HN 0.337 nan 8.210 nan 0.000 0.441 137 G N -0.331 108.363 108.800 -0.175 0.000 2.920 137 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.208 137 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.208 137 G C 0.969 175.759 174.900 -0.183 0.000 1.159 137 G CA -0.037 45.000 45.100 -0.104 0.000 0.784 137 G HN 0.630 nan 8.290 nan 0.000 0.535 138 H N -0.346 118.479 119.070 -0.408 0.000 2.567 138 H HA 0.078 4.634 4.556 -0.001 0.000 0.294 138 H C 1.532 176.579 175.328 -0.469 0.000 1.050 138 H CA -0.434 55.352 56.048 -0.436 0.000 1.168 138 H CB 0.188 29.708 29.762 -0.403 0.000 1.422 138 H HN 0.630 nan 8.280 nan 0.000 0.562 139 Y N -0.032 120.096 120.300 -0.286 0.000 2.483 139 Y HA -0.088 4.461 4.550 -0.000 0.000 0.291 139 Y C 1.678 177.573 175.900 -0.008 0.000 1.143 139 Y CA 0.260 58.204 58.100 -0.260 0.000 1.289 139 Y CB -0.184 38.205 38.460 -0.117 0.000 0.983 139 Y HN 0.058 nan 8.280 nan 0.000 0.556 140 E N 0.524 120.560 120.200 -0.273 0.000 2.268 140 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 140 E C 1.815 178.456 176.600 0.069 0.000 0.995 140 E CA 0.944 57.308 56.400 -0.060 0.000 0.836 140 E CB -0.610 28.980 29.700 -0.184 0.000 0.763 140 E HN 0.702 nan 8.360 nan 0.000 0.491 141 F N 1.166 121.057 119.950 -0.097 0.000 2.126 141 F HA -0.243 4.283 4.527 -0.001 0.000 0.299 141 F C 2.157 178.050 175.800 0.155 0.000 1.096 141 F CA 1.102 59.096 58.000 -0.010 0.000 1.255 141 F CB 0.030 38.981 39.000 -0.081 0.000 0.997 141 F HN -0.194 nan 8.300 nan 0.000 0.479 142 V N 1.194 121.432 119.914 0.539 0.000 2.427 142 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 142 V C 2.415 178.732 176.094 0.372 0.000 1.051 142 V CA 2.000 64.615 62.300 0.525 0.000 1.048 142 V CB -0.667 31.476 31.823 0.533 0.000 0.666 142 V HN 0.296 nan 8.190 nan 0.000 0.456 143 R N 0.259 120.923 120.500 0.272 0.000 2.091 143 R HA -0.127 4.213 4.340 -0.001 0.000 0.238 143 R C 2.466 178.858 176.300 0.154 0.000 1.136 143 R CA 1.611 57.828 56.100 0.195 0.000 0.959 143 R CB -0.900 29.504 30.300 0.173 0.000 0.856 143 R HN 0.580 nan 8.270 nan 0.000 0.437 144 G N 0.619 109.484 108.800 0.109 0.000 2.402 144 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.216 144 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.216 144 G C 1.271 176.209 174.900 0.063 0.000 1.162 144 G CA 0.244 45.369 45.100 0.041 0.000 0.777 144 G HN 0.259 nan 8.290 nan 0.000 0.539 145 F N 1.514 121.434 119.950 -0.049 0.000 2.069 145 F HA -0.021 4.506 4.527 -0.001 0.000 0.298 145 F C 2.721 178.591 175.800 0.117 0.000 1.113 145 F CA 1.992 60.005 58.000 0.021 0.000 1.214 145 F CB -0.017 39.047 39.000 0.107 0.000 0.978 145 F HN 0.030 nan 8.300 nan 0.000 0.474 146 K N -0.078 120.564 120.400 0.402 0.000 2.097 146 K HA -0.203 4.116 4.320 -0.001 0.000 0.205 146 K C 2.187 178.845 176.600 0.096 0.000 1.050 146 K CA 1.389 57.840 56.287 0.274 0.000 0.938 146 K CB -0.372 32.296 32.500 0.280 0.000 0.718 146 K HN 0.328 nan 8.250 nan 0.000 0.442 147 E N 1.027 121.274 120.200 0.077 0.000 2.110 147 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 147 E C 1.950 178.550 176.600 -0.002 0.000 0.988 147 E CA 1.063 57.484 56.400 0.034 0.000 0.804 147 E CB 0.126 29.847 29.700 0.035 0.000 0.745 147 E HN 0.041 nan 8.360 nan 0.000 0.458 148 V N 1.189 121.082 119.914 -0.035 0.000 2.295 148 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 148 V C 2.554 178.619 176.094 -0.049 0.000 1.049 148 V CA 1.271 63.538 62.300 -0.056 0.000 1.024 148 V CB -0.451 31.311 31.823 -0.102 0.000 0.648 148 V HN 0.229 nan 8.190 nan 0.000 0.447 149 L N -0.263 120.905 121.223 -0.092 0.000 2.046 149 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 149 L C 2.368 179.239 176.870 0.002 0.000 1.077 149 L CA 1.849 56.661 54.840 -0.046 0.000 0.747 149 L CB -0.887 41.119 42.059 -0.087 0.000 0.896 149 L HN 0.288 nan 8.230 nan 0.000 0.432 150 K N -0.767 119.632 120.400 -0.002 0.000 2.057 150 K HA -0.203 4.117 4.320 -0.001 0.000 0.206 150 K C 2.147 178.736 176.600 -0.019 0.000 1.050 150 K CA 1.273 57.557 56.287 -0.005 0.000 0.935 150 K CB -0.150 32.356 32.500 0.010 0.000 0.715 150 K HN 0.142 nan 8.250 nan 0.000 0.439 151 K N 0.976 121.369 120.400 -0.011 0.000 2.148 151 K HA -0.118 4.201 4.320 -0.001 0.000 0.204 151 K C 1.318 177.908 176.600 -0.017 0.000 1.050 151 K CA 1.086 57.365 56.287 -0.013 0.000 0.942 151 K CB 0.287 32.784 32.500 -0.006 0.000 0.724 151 K HN 0.017 nan 8.250 nan 0.000 0.446 152 E N -0.581 119.621 120.200 0.003 0.000 2.502 152 E HA 0.025 4.375 4.350 -0.001 0.000 0.194 152 E C 0.671 177.212 176.600 -0.099 0.000 1.062 152 E CA 0.682 57.100 56.400 0.031 0.000 0.867 152 E CB 0.620 30.410 29.700 0.150 0.000 0.888 152 E HN 0.519 nan 8.360 nan 0.000 0.510 153 G N 1.873 110.571 108.800 -0.171 0.000 2.149 153 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.235 153 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.235 153 G C 0.134 174.686 174.900 -0.581 0.000 1.018 153 G CA -0.027 44.877 45.100 -0.327 0.000 0.728 153 G HN 0.378 nan 8.290 nan 0.000 0.508 154 H N -0.623 118.412 119.070 -0.059 0.000 2.587 154 H HA 0.228 4.784 4.556 -0.001 0.000 0.245 154 H C 1.390 176.650 175.328 -0.114 0.000 1.238 154 H CA 0.210 56.199 56.048 -0.098 0.000 0.963 154 H CB 0.454 30.143 29.762 -0.122 0.000 1.904 154 H HN 0.665 nan 8.280 nan 0.000 0.584 155 E N 1.525 121.715 120.200 -0.016 0.000 2.153 155 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 155 E C 1.471 178.070 176.600 -0.003 0.000 0.988 155 E CA 1.523 57.922 56.400 -0.002 0.000 0.811 155 E CB 0.362 30.062 29.700 -0.000 0.000 0.746 155 E HN 0.459 nan 8.360 nan 0.000 0.466 156 D N 0.956 121.347 120.400 -0.014 0.000 2.182 156 D HA -0.241 4.399 4.640 -0.001 0.000 0.201 156 D C 1.978 178.241 176.300 -0.061 0.000 0.986 156 D CA 0.921 54.914 54.000 -0.011 0.000 0.847 156 D CB -0.655 40.141 40.800 -0.008 0.000 0.942 156 D HN 0.374 nan 8.370 nan 0.000 0.467 157 L N -0.246 120.865 121.223 -0.188 0.000 2.265 157 L HA -0.055 4.285 4.340 -0.001 0.000 0.215 157 L C 2.481 179.203 176.870 -0.247 0.000 1.117 157 L CA 0.365 54.916 54.840 -0.482 0.000 0.782 157 L CB -0.355 41.068 42.059 -1.061 0.000 0.914 157 L HN 0.038 nan 8.230 nan 0.000 0.441 158 L N -0.522 120.689 121.223 -0.019 0.000 2.450 158 L HA -0.171 4.169 4.340 -0.001 0.000 0.224 158 L C 2.185 179.218 176.870 0.272 0.000 1.149 158 L CA 0.727 55.669 54.840 0.170 0.000 0.816 158 L CB -0.452 41.717 42.059 0.183 0.000 0.932 158 L HN 0.303 nan 8.230 nan 0.000 0.449 159 E N 0.078 120.424 120.200 0.243 0.000 2.265 159 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 159 E C 1.420 178.363 176.600 0.572 0.000 0.996 159 E CA 0.719 57.362 56.400 0.406 0.000 0.832 159 E CB 0.186 30.037 29.700 0.252 0.000 0.756 159 E HN 0.248 nan 8.360 nan 0.000 0.491 160 K N 0.084 120.729 120.400 0.407 0.000 2.358 160 K HA 0.167 4.486 4.320 -0.001 0.000 0.197 160 K C -0.270 176.730 176.600 0.667 0.000 1.025 160 K CA 0.079 56.622 56.287 0.426 0.000 1.104 160 K CB 1.010 33.660 32.500 0.250 0.000 0.855 160 K HN -0.083 nan 8.250 nan 0.000 0.531 161 V N 0.328 120.537 119.914 0.492 0.000 2.495 161 V HA 0.677 4.797 4.120 -0.001 0.000 0.298 161 V C 0.433 176.142 176.094 -0.641 0.000 1.031 161 V CA -0.944 61.406 62.300 0.082 0.000 0.871 161 V CB 1.763 33.664 31.823 0.130 0.000 0.988 161 V HN 0.263 nan 8.190 nan 0.000 0.432 162 G N 2.739 110.885 108.800 -1.090 0.000 2.714 162 G HA2 0.784 4.743 3.960 -0.001 0.000 0.292 162 G HA3 0.784 4.743 3.960 -0.001 0.000 0.292 162 G C -2.071 172.054 174.900 -1.292 0.000 1.308 162 G CA -0.573 43.551 45.100 -1.626 0.000 0.964 162 G HN 0.476 nan 8.290 nan 0.000 0.484 163 Y N -0.763 119.332 120.300 -0.341 0.000 2.492 163 Y HA 0.560 5.110 4.550 -0.001 0.000 0.346 163 Y C -1.047 174.871 175.900 0.031 0.000 0.997 163 Y CA -1.084 56.937 58.100 -0.131 0.000 1.025 163 Y CB 3.043 41.375 38.460 -0.214 0.000 1.263 163 Y HN 0.487 nan 8.280 nan 0.000 0.454 164 D N 1.955 122.571 120.400 0.361 0.000 2.479 164 D HA 0.310 4.950 4.640 -0.001 0.000 0.246 164 D C -1.932 174.694 176.300 0.543 0.000 1.336 164 D CA -0.462 53.817 54.000 0.465 0.000 0.967 164 D CB 0.553 41.653 40.800 0.499 0.000 1.275 164 D HN 0.185 nan 8.370 nan 0.000 0.577 165 F N 2.216 122.350 119.950 0.306 0.000 2.385 165 F HA 0.476 5.003 4.527 -0.000 0.000 0.360 165 F C 0.953 176.781 175.800 0.046 0.000 1.122 165 F CA -1.160 56.854 58.000 0.023 0.000 1.090 165 F CB 1.198 40.045 39.000 -0.255 0.000 1.150 165 F HN 0.197 nan 8.300 nan 0.000 0.472 166 S N 0.993 116.810 115.700 0.195 0.000 2.638 166 S HA 0.932 5.402 4.470 -0.001 0.000 0.302 166 S C 0.039 174.627 174.600 -0.019 0.000 1.096 166 S CA -0.323 57.956 58.200 0.130 0.000 0.953 166 S CB 1.751 65.059 63.200 0.180 0.000 1.107 166 S HN 1.404 nan 8.310 nan 0.000 0.503 167 G N 1.136 109.928 108.800 -0.013 0.000 2.752 167 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.234 167 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.234 167 G C -3.049 171.763 174.900 -0.146 0.000 1.367 167 G CA -0.351 44.661 45.100 -0.147 0.000 0.879 167 G HN 0.790 nan 8.290 nan 0.000 0.563 168 P HA 0.229 nan 4.420 nan 0.000 0.276 168 P C 0.124 177.366 177.300 -0.096 0.000 1.261 168 P CA -0.215 62.738 63.100 -0.244 0.000 0.800 168 P CB 0.447 32.020 31.700 -0.213 0.000 1.066 169 Y N -0.475 119.749 120.300 -0.126 0.000 2.546 169 Y HA 0.093 4.642 4.550 -0.001 0.000 0.287 169 Y C 1.262 177.038 175.900 -0.205 0.000 1.158 169 Y CA -0.335 57.655 58.100 -0.184 0.000 1.307 169 Y CB 0.239 38.584 38.460 -0.191 0.000 1.036 169 Y HN 0.177 nan 8.280 nan 0.000 0.532 170 L N -3.734 117.486 121.223 -0.004 0.000 2.393 170 L HA 0.558 4.898 4.340 -0.001 0.000 0.260 170 L C -2.612 174.233 176.870 -0.043 0.000 1.002 170 L CA -2.290 52.526 54.840 -0.039 0.000 0.818 170 L CB 1.783 43.822 42.059 -0.034 0.000 1.369 170 L HN -0.360 nan 8.230 nan 0.000 0.412 171 P HA -0.002 nan 4.420 nan 0.000 0.226 171 P C -0.156 177.124 177.300 -0.034 0.000 1.153 171 P CA 0.853 63.935 63.100 -0.030 0.000 0.777 171 P CB 0.178 31.867 31.700 -0.018 0.000 0.794 172 S N -2.530 113.151 115.700 -0.031 0.000 2.565 172 S HA 0.400 4.869 4.470 -0.001 0.000 0.269 172 S C -0.826 173.766 174.600 -0.015 0.000 1.153 172 S CA -1.067 57.114 58.200 -0.033 0.000 0.835 172 S CB 0.629 63.834 63.200 0.008 0.000 1.122 172 S HN -0.147 nan 8.310 nan 0.000 0.462 173 L N 1.874 123.089 121.223 -0.014 0.000 2.456 173 L HA 0.337 4.676 4.340 -0.001 0.000 0.272 173 L C -2.059 174.855 176.870 0.073 0.000 1.189 173 L CA -1.540 53.334 54.840 0.056 0.000 0.846 173 L CB 0.175 42.280 42.059 0.078 0.000 1.111 173 L HN 0.545 nan 8.230 nan 0.000 0.475 174 P HA 0.076 nan 4.420 nan 0.000 0.271 174 P C -0.358 177.002 177.300 0.100 0.000 1.216 174 P CA -0.381 62.763 63.100 0.073 0.000 0.776 174 P CB 0.512 32.254 31.700 0.070 0.000 0.881 175 T N -0.356 114.252 114.554 0.090 0.000 2.788 175 T HA 0.184 4.533 4.350 -0.001 0.000 0.287 175 T C 1.454 176.239 174.700 0.143 0.000 1.007 175 T CA -0.589 61.575 62.100 0.107 0.000 1.005 175 T CB 0.176 69.096 68.868 0.086 0.000 1.012 175 T HN 0.169 nan 8.240 nan 0.000 0.530 176 L N 0.207 121.540 121.223 0.182 0.000 2.042 176 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 176 L C 2.572 179.586 176.870 0.239 0.000 1.076 176 L CA 1.562 56.578 54.840 0.292 0.000 0.749 176 L CB -0.638 41.620 42.059 0.332 0.000 0.893 176 L HN 0.709 nan 8.230 nan 0.000 0.432 177 D N 0.100 120.589 120.400 0.149 0.000 2.104 177 D HA -0.195 4.444 4.640 -0.001 0.000 0.194 177 D C 2.202 178.509 176.300 0.011 0.000 0.994 177 D CA 1.625 55.667 54.000 0.070 0.000 0.830 177 D CB -0.082 40.748 40.800 0.051 0.000 0.959 177 D HN 0.332 nan 8.370 nan 0.000 0.452 178 A N 0.166 123.005 122.820 0.032 0.000 1.902 178 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 178 A C 2.373 179.955 177.584 -0.002 0.000 1.181 178 A CA 2.290 54.332 52.037 0.008 0.000 0.623 178 A CB -0.952 18.064 19.000 0.026 0.000 0.818 178 A HN 0.249 nan 8.150 nan 0.000 0.443 179 T N -1.386 113.197 114.554 0.049 0.000 2.708 179 T HA -0.194 4.156 4.350 -0.001 0.000 0.266 179 T C 1.831 176.505 174.700 -0.044 0.000 1.037 179 T CA 1.621 63.746 62.100 0.041 0.000 1.146 179 T CB -0.530 68.473 68.868 0.226 0.000 0.865 179 T HN 0.765 nan 8.240 nan 0.000 0.435 180 H N 0.644 119.532 119.070 -0.304 0.000 2.319 180 H HA -0.088 4.468 4.556 -0.001 0.000 0.299 180 H C 2.366 177.519 175.328 -0.291 0.000 1.092 180 H CA 1.002 56.652 56.048 -0.662 0.000 1.302 180 H CB 0.194 29.246 29.762 -1.183 0.000 1.373 180 H HN 0.147 nan 8.280 nan 0.000 0.497 181 E N 0.556 120.647 120.200 -0.181 0.000 2.118 181 E HA -0.156 4.194 4.350 -0.001 0.000 0.195 181 E C 2.348 178.842 176.600 -0.177 0.000 0.992 181 E CA 0.918 57.193 56.400 -0.208 0.000 0.804 181 E CB -0.403 29.201 29.700 -0.161 0.000 0.741 181 E HN 0.598 nan 8.360 nan 0.000 0.458 182 A N 0.334 123.076 122.820 -0.130 0.000 1.902 182 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 182 A C 2.029 179.603 177.584 -0.017 0.000 1.181 182 A CA 1.333 53.312 52.037 -0.097 0.000 0.623 182 A CB -0.830 18.195 19.000 0.041 0.000 0.818 182 A HN 0.224 nan 8.150 nan 0.000 0.443 183 Y N 0.380 120.729 120.300 0.080 0.000 2.128 183 Y HA -0.192 4.357 4.550 -0.001 0.000 0.284 183 Y C 2.402 178.244 175.900 -0.097 0.000 1.154 183 Y CA 1.702 59.772 58.100 -0.051 0.000 1.149 183 Y CB -0.436 37.955 38.460 -0.114 0.000 0.976 183 Y HN 0.281 nan 8.280 nan 0.000 0.505 184 K N 0.231 120.641 120.400 0.017 0.000 2.057 184 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 184 K C 1.983 178.494 176.600 -0.149 0.000 1.049 184 K CA 1.584 57.822 56.287 -0.082 0.000 0.931 184 K CB -0.205 32.199 32.500 -0.161 0.000 0.714 184 K HN 0.283 nan 8.250 nan 0.000 0.440 185 K N 0.318 120.543 120.400 -0.293 0.000 2.147 185 K HA -0.083 4.237 4.320 -0.001 0.000 0.205 185 K C 1.991 178.371 176.600 -0.367 0.000 1.049 185 K CA 1.154 57.118 56.287 -0.539 0.000 0.936 185 K CB -0.041 31.714 32.500 -1.242 0.000 0.722 185 K HN 0.124 nan 8.250 nan 0.000 0.446 186 A N 0.523 123.268 122.820 -0.124 0.000 2.206 186 A HA 0.141 4.460 4.320 -0.001 0.000 0.211 186 A C 1.387 179.000 177.584 0.048 0.000 1.158 186 A CA 0.886 53.011 52.037 0.147 0.000 0.761 186 A CB -0.298 18.947 19.000 0.407 0.000 0.801 186 A HN 0.409 nan 8.150 nan 0.000 0.473 187 G N -1.354 107.433 108.800 -0.020 0.000 2.160 187 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.244 187 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.244 187 G C 0.015 174.858 174.900 -0.096 0.000 1.022 187 G CA 0.178 45.254 45.100 -0.039 0.000 0.741 187 G HN 0.817 nan 8.290 nan 0.000 0.508 188 V N 1.651 121.488 119.914 -0.128 0.000 2.364 188 V HA 0.495 4.614 4.120 -0.001 0.000 0.272 188 V C 0.492 176.494 176.094 -0.152 0.000 1.036 188 V CA 0.233 62.374 62.300 -0.265 0.000 0.880 188 V CB 1.610 33.158 31.823 -0.458 0.000 0.991 188 V HN 0.477 nan 8.190 nan 0.000 0.460 189 D N 2.661 122.968 120.400 -0.156 0.000 2.571 189 D HA 0.420 5.059 4.640 -0.001 0.000 0.239 189 D C 0.309 176.568 176.300 -0.068 0.000 1.267 189 D CA 0.163 54.123 54.000 -0.068 0.000 0.823 189 D CB 1.199 41.979 40.800 -0.033 0.000 1.056 189 D HN 0.649 nan 8.370 nan 0.000 0.494 190 G N -0.779 107.936 108.800 -0.142 0.000 2.349 190 G HA2 0.350 4.309 3.960 -0.001 0.000 0.294 190 G HA3 0.350 4.309 3.960 -0.001 0.000 0.294 190 G C -0.896 173.979 174.900 -0.042 0.000 1.380 190 G CA -0.741 44.345 45.100 -0.024 0.000 0.811 190 G HN 0.244 nan 8.290 nan 0.000 0.519 191 H N -1.530 117.427 119.070 -0.188 0.000 2.882 191 H HA -0.156 4.399 4.556 -0.001 0.000 0.314 191 H C -0.350 174.772 175.328 -0.343 0.000 1.270 191 H CA 0.615 56.319 56.048 -0.573 0.000 1.165 191 H CB -1.425 27.575 29.762 -1.271 0.000 1.436 191 H HN 0.421 nan 8.280 nan 0.000 0.431 192 I N 0.900 121.490 120.570 0.034 0.000 2.406 192 I HA 0.222 4.392 4.170 -0.001 0.000 0.290 192 I C -0.137 176.144 176.117 0.273 0.000 0.999 192 I CA -0.419 60.840 61.300 -0.068 0.000 1.124 192 I CB 0.918 38.669 38.000 -0.415 0.000 1.289 192 I HN 0.063 nan 8.210 nan 0.000 0.441 193 W N 6.989 128.283 121.300 -0.011 0.000 2.573 193 W HA 0.626 5.286 4.660 -0.001 0.000 0.326 193 W C -0.763 175.906 176.519 0.250 0.000 1.049 193 W CA -0.761 56.659 57.345 0.125 0.000 1.220 193 W CB 1.486 31.017 29.460 0.118 0.000 1.373 193 W HN 0.206 nan 8.180 nan 0.000 0.507 194 L N 3.825 125.249 121.223 0.335 0.000 2.341 194 L HA 0.659 4.999 4.340 -0.001 0.000 0.278 194 L C 0.046 177.012 176.870 0.159 0.000 1.005 194 L CA -0.267 54.728 54.840 0.259 0.000 0.818 194 L CB 1.164 43.290 42.059 0.111 0.000 1.259 194 L HN 0.408 nan 8.230 nan 0.000 0.418 195 S N 1.859 117.566 115.700 0.012 0.000 2.549 195 S HA 0.646 5.115 4.470 -0.001 0.000 0.297 195 S C -1.010 173.558 174.600 -0.054 0.000 1.115 195 S CA -0.816 57.185 58.200 -0.332 0.000 1.059 195 S CB 1.891 64.692 63.200 -0.666 0.000 1.046 195 S HN 0.644 nan 8.310 nan 0.000 0.506 196 D N -0.091 120.209 120.400 -0.166 0.000 2.788 196 D HA 0.679 5.319 4.640 -0.001 0.000 0.247 196 D C 0.278 176.031 176.300 -0.912 0.000 1.236 196 D CA -0.163 53.661 54.000 -0.294 0.000 0.898 196 D CB 1.307 42.073 40.800 -0.056 0.000 1.401 196 D HN 0.759 nan 8.370 nan 0.000 0.549 197 G N 2.934 111.001 108.800 -1.223 0.000 3.353 197 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.127 197 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.127 197 G C 1.148 175.294 174.900 -1.257 0.000 1.167 197 G CA 0.248 44.271 45.100 -1.796 0.000 1.459 197 G HN 0.478 nan 8.290 nan 0.000 0.702 198 L N 1.602 121.973 121.223 -1.421 0.000 2.239 198 L HA -0.240 4.099 4.340 -0.001 0.000 0.242 198 L C 1.958 178.628 176.870 -0.334 0.000 1.130 198 L CA 2.353 56.954 54.840 -0.398 0.000 0.852 198 L CB -1.408 40.844 42.059 0.323 0.000 0.959 198 L HN 0.591 nan 8.230 nan 0.000 0.447 199 T N -1.197 113.082 114.554 -0.457 0.000 2.738 199 T HA 0.158 4.507 4.350 -0.001 0.000 0.293 199 T C 0.386 174.991 174.700 -0.159 0.000 0.913 199 T CA -0.591 61.292 62.100 -0.362 0.000 1.103 199 T CB 0.187 68.726 68.868 -0.548 0.000 0.880 199 T HN 0.369 nan 8.240 nan 0.000 0.526 200 N N 2.913 121.556 118.700 -0.094 0.000 2.538 200 N HA 0.093 4.833 4.740 -0.001 0.000 0.291 200 N C 0.557 176.045 175.510 -0.037 0.000 1.323 200 N CA -0.717 52.289 53.050 -0.072 0.000 0.934 200 N CB -0.207 38.232 38.487 -0.081 0.000 1.255 200 N HN 0.802 nan 8.380 nan 0.000 0.509 201 F N -0.521 119.331 119.950 -0.163 0.000 2.558 201 F HA 0.280 4.807 4.527 -0.000 0.000 0.298 201 F C 0.621 176.367 175.800 -0.090 0.000 1.119 201 F CA -0.126 57.798 58.000 -0.126 0.000 1.451 201 F CB 0.255 39.163 39.000 -0.153 0.000 1.091 201 F HN 0.039 nan 8.300 nan 0.000 0.563 202 S N 0.941 116.043 115.700 -0.996 0.000 2.317 202 S HA 0.373 4.842 4.470 -0.001 0.000 0.144 202 S C -1.954 172.365 174.600 -0.468 0.000 1.660 202 S CA -1.178 56.494 58.200 -0.880 0.000 1.273 202 S CB 0.129 62.480 63.200 -1.413 0.000 1.330 202 S HN -0.117 nan 8.310 nan 0.000 0.395 203 P HA -0.156 nan 4.420 nan 0.000 0.217 203 P C 1.335 178.547 177.300 -0.148 0.000 1.158 203 P CA 1.312 64.307 63.100 -0.174 0.000 0.887 203 P CB 0.099 31.726 31.700 -0.122 0.000 0.792 204 L N -1.858 119.278 121.223 -0.145 0.000 2.109 204 L HA -0.014 4.326 4.340 -0.001 0.000 0.207 204 L C 2.660 179.464 176.870 -0.110 0.000 1.086 204 L CA 1.648 56.424 54.840 -0.107 0.000 0.760 204 L CB -1.551 40.455 42.059 -0.089 0.000 0.910 204 L HN 0.062 nan 8.230 nan 0.000 0.437 205 G N -0.466 108.239 108.800 -0.159 0.000 2.443 205 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.219 205 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.219 205 G C 1.133 175.965 174.900 -0.114 0.000 1.131 205 G CA 0.592 45.608 45.100 -0.140 0.000 0.775 205 G HN 0.302 nan 8.290 nan 0.000 0.547 206 D N 0.457 120.768 120.400 -0.149 0.000 2.162 206 D HA -0.017 4.623 4.640 -0.001 0.000 0.203 206 D C 2.561 178.838 176.300 -0.038 0.000 0.967 206 D CA 0.513 54.464 54.000 -0.083 0.000 0.840 206 D CB -0.199 40.539 40.800 -0.104 0.000 0.972 206 D HN 0.287 nan 8.370 nan 0.000 0.482 207 M N 1.006 120.574 119.600 -0.053 0.000 2.108 207 M HA -0.159 4.321 4.480 -0.001 0.000 0.261 207 M C 2.333 178.617 176.300 -0.026 0.000 1.066 207 M CA 1.626 56.903 55.300 -0.039 0.000 1.107 207 M CB -0.170 32.401 32.600 -0.049 0.000 1.356 207 M HN -0.019 nan 8.290 nan 0.000 0.406 208 A N 0.060 122.863 122.820 -0.030 0.000 1.898 208 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 208 A C 2.060 179.646 177.584 0.004 0.000 1.181 208 A CA 1.934 53.963 52.037 -0.014 0.000 0.620 208 A CB -0.627 18.361 19.000 -0.019 0.000 0.819 208 A HN 0.449 nan 8.150 nan 0.000 0.442 209 R N -0.666 119.839 120.500 0.008 0.000 2.081 209 R HA -0.108 4.231 4.340 -0.001 0.000 0.235 209 R C 1.922 178.244 176.300 0.036 0.000 1.131 209 R CA 1.724 57.845 56.100 0.034 0.000 0.960 209 R CB -0.616 29.711 30.300 0.045 0.000 0.856 209 R HN 0.381 nan 8.270 nan 0.000 0.436 210 L N 0.888 122.130 121.223 0.031 0.000 2.017 210 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 210 L C 1.762 178.643 176.870 0.018 0.000 1.073 210 L CA 1.926 56.788 54.840 0.037 0.000 0.745 210 L CB -0.537 41.547 42.059 0.042 0.000 0.894 210 L HN 0.086 nan 8.230 nan 0.000 0.432 211 K N -0.088 120.316 120.400 0.007 0.000 2.097 211 K HA -0.199 4.121 4.320 -0.001 0.000 0.206 211 K C 2.084 178.691 176.600 0.011 0.000 1.049 211 K CA 1.399 57.688 56.287 0.004 0.000 0.933 211 K CB -0.308 32.190 32.500 -0.002 0.000 0.717 211 K HN 0.557 nan 8.250 nan 0.000 0.442 212 E N 0.330 120.542 120.200 0.020 0.000 2.077 212 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 212 E C 1.800 178.416 176.600 0.027 0.000 0.989 212 E CA 1.105 57.523 56.400 0.031 0.000 0.800 212 E CB 0.057 29.784 29.700 0.045 0.000 0.746 212 E HN 0.218 nan 8.360 nan 0.000 0.452 213 A N 1.093 123.927 122.820 0.023 0.000 1.898 213 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 213 A C 2.172 179.737 177.584 -0.032 0.000 1.181 213 A CA 1.204 53.240 52.037 -0.001 0.000 0.620 213 A CB -0.578 18.429 19.000 0.013 0.000 0.819 213 A HN 0.299 nan 8.150 nan 0.000 0.442 214 I N -0.466 120.097 120.570 -0.012 0.000 2.179 214 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 214 I C 2.571 178.680 176.117 -0.013 0.000 1.088 214 I CA 1.861 63.153 61.300 -0.013 0.000 1.357 214 I CB -0.229 37.772 38.000 0.002 0.000 1.051 214 I HN 0.365 nan 8.210 nan 0.000 0.409 215 K N 0.462 120.860 120.400 -0.003 0.000 2.063 215 K HA -0.231 4.088 4.320 -0.001 0.000 0.208 215 K C 2.371 178.968 176.600 -0.006 0.000 1.048 215 K CA 1.928 58.217 56.287 0.003 0.000 0.928 215 K CB -0.142 32.366 32.500 0.013 0.000 0.713 215 K HN 0.175 nan 8.250 nan 0.000 0.442 216 S N 0.716 116.408 115.700 -0.014 0.000 2.356 216 S HA -0.185 4.285 4.470 -0.001 0.000 0.223 216 S C 2.105 176.643 174.600 -0.102 0.000 1.032 216 S CA 1.362 59.544 58.200 -0.029 0.000 1.005 216 S CB -0.324 62.862 63.200 -0.022 0.000 0.867 216 S HN 0.403 nan 8.310 nan 0.000 0.449 217 R N 0.438 120.852 120.500 -0.143 0.000 2.103 217 R HA -0.120 4.220 4.340 -0.001 0.000 0.242 217 R C 0.757 177.009 176.300 -0.079 0.000 1.142 217 R CA 2.028 58.033 56.100 -0.158 0.000 0.960 217 R CB -0.458 29.765 30.300 -0.129 0.000 0.858 217 R HN 0.384 nan 8.270 nan 0.000 0.439 218 D N 0.441 120.817 120.400 -0.040 0.000 2.328 218 D HA 0.003 4.642 4.640 -0.001 0.000 0.226 218 D C 0.284 176.577 176.300 -0.012 0.000 1.066 218 D CA 0.312 54.302 54.000 -0.016 0.000 0.861 218 D CB 0.397 41.199 40.800 0.003 0.000 0.912 218 D HN 0.256 nan 8.370 nan 0.000 0.521 219 S N -0.556 115.137 115.700 -0.011 0.000 2.632 219 S HA 0.512 4.982 4.470 -0.001 0.000 0.267 219 S C 1.627 176.234 174.600 0.012 0.000 1.276 219 S CA -0.215 57.990 58.200 0.007 0.000 0.998 219 S CB 2.164 65.379 63.200 0.024 0.000 0.953 219 S HN 0.028 nan 8.310 nan 0.000 0.547 220 A N 1.984 124.816 122.820 0.020 0.000 1.881 220 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 220 A C 1.553 179.157 177.584 0.033 0.000 1.215 220 A CA 1.831 53.881 52.037 0.022 0.000 0.648 220 A CB -1.023 17.992 19.000 0.026 0.000 0.832 220 A HN 0.925 nan 8.150 nan 0.000 0.455 221 N N -0.025 118.707 118.700 0.053 0.000 2.458 221 N HA 0.228 4.968 4.740 -0.001 0.000 0.274 221 N C 0.371 175.941 175.510 0.099 0.000 1.242 221 N CA 0.284 53.380 53.050 0.075 0.000 0.904 221 N CB 0.574 39.115 38.487 0.090 0.000 1.206 221 N HN 0.442 nan 8.380 nan 0.000 0.510 222 G N 0.302 109.135 108.800 0.055 0.000 2.614 222 G HA2 0.125 4.084 3.960 -0.001 0.000 0.239 222 G HA3 0.125 4.084 3.960 -0.001 0.000 0.239 222 G C 0.494 175.402 174.900 0.012 0.000 1.240 222 G CA -0.241 44.869 45.100 0.016 0.000 0.842 222 G HN 0.362 nan 8.290 nan 0.000 0.584 223 F N -0.472 119.356 119.950 -0.204 0.000 2.712 223 F HA 0.471 4.998 4.527 -0.001 0.000 0.297 223 F C 0.682 176.359 175.800 -0.205 0.000 1.114 223 F CA -0.799 57.026 58.000 -0.291 0.000 1.305 223 F CB 0.138 38.706 39.000 -0.720 0.000 1.086 223 F HN 0.113 nan 8.300 nan 0.000 0.599 224 I N 2.648 122.691 120.570 -0.878 0.000 2.471 224 I HA 0.116 4.285 4.170 -0.001 0.000 0.286 224 I C 0.329 176.289 176.117 -0.262 0.000 1.079 224 I CA 0.160 61.107 61.300 -0.588 0.000 1.398 224 I CB 1.007 38.646 38.000 -0.602 0.000 1.403 224 I HN 0.219 nan 8.210 nan 0.000 0.530 225 N N 4.322 122.943 118.700 -0.132 0.000 2.278 225 N HA 0.056 4.796 4.740 -0.001 0.000 0.181 225 N C -0.238 175.167 175.510 -0.175 0.000 1.023 225 N CA 0.720 53.737 53.050 -0.056 0.000 0.862 225 N CB 0.288 38.844 38.487 0.115 0.000 1.003 225 N HN 0.393 nan 8.380 nan 0.000 0.431 226 K N 0.555 120.729 120.400 -0.377 0.000 2.435 226 K HA 0.478 4.797 4.320 -0.001 0.000 0.251 226 K C -1.188 175.107 176.600 -0.508 0.000 0.954 226 K CA -0.433 55.449 56.287 -0.674 0.000 0.820 226 K CB 2.547 34.057 32.500 -1.650 0.000 1.292 226 K HN -0.047 nan 8.250 nan 0.000 0.436 227 I N 2.550 122.923 120.570 -0.328 0.000 2.465 227 I HA 0.402 4.571 4.170 -0.001 0.000 0.291 227 I C -0.788 175.335 176.117 0.009 0.000 1.014 227 I CA -1.138 60.107 61.300 -0.092 0.000 1.093 227 I CB 1.305 39.282 38.000 -0.039 0.000 1.267 227 I HN 0.530 nan 8.210 nan 0.000 0.431 228 Y N 4.347 124.608 120.300 -0.066 0.000 2.485 228 Y HA 0.675 5.224 4.550 -0.001 0.000 0.345 228 Y C -1.592 174.452 175.900 0.239 0.000 0.998 228 Y CA -1.312 56.835 58.100 0.078 0.000 1.059 228 Y CB 1.349 39.884 38.460 0.125 0.000 1.234 228 Y HN 0.471 nan 8.280 nan 0.000 0.461 229 Y N 4.023 124.424 120.300 0.168 0.000 2.364 229 Y HA 0.508 5.057 4.550 -0.001 0.000 0.340 229 Y C -1.205 174.802 175.900 0.179 0.000 0.975 229 Y CA -1.647 56.491 58.100 0.063 0.000 1.089 229 Y CB 1.164 39.625 38.460 0.001 0.000 1.192 229 Y HN 0.920 nan 8.280 nan 0.000 0.454 230 W N 3.395 124.381 121.300 -0.524 0.000 2.647 230 W HA 0.660 5.320 4.660 -0.001 0.000 0.353 230 W C -0.548 175.826 176.519 -0.242 0.000 1.080 230 W CA -1.271 55.916 57.345 -0.264 0.000 1.208 230 W CB 0.756 30.086 29.460 -0.215 0.000 1.396 230 W HN 0.626 nan 8.180 nan 0.000 0.573 231 S N 0.860 116.608 115.700 0.081 0.000 3.386 231 S HA -0.134 4.335 4.470 -0.001 0.000 0.403 231 S C -0.547 174.121 174.600 0.115 0.000 0.893 231 S CA 0.475 58.681 58.200 0.011 0.000 1.336 231 S CB -1.786 61.383 63.200 -0.051 0.000 0.925 231 S HN 0.644 nan 8.310 nan 0.000 0.589 232 V N 2.689 122.709 119.914 0.175 0.000 2.333 232 V HA 0.320 4.439 4.120 -0.001 0.000 0.274 232 V C 0.509 176.693 176.094 0.150 0.000 1.028 232 V CA -0.336 62.067 62.300 0.171 0.000 0.851 232 V CB 1.724 33.653 31.823 0.176 0.000 1.000 232 V HN 0.581 nan 8.190 nan 0.000 0.456 233 D N 2.697 123.198 120.400 0.168 0.000 2.500 233 D HA 0.211 4.850 4.640 -0.001 0.000 0.218 233 D C 0.470 176.904 176.300 0.224 0.000 1.140 233 D CA 0.217 54.384 54.000 0.279 0.000 0.830 233 D CB 0.888 41.929 40.800 0.401 0.000 1.055 233 D HN 0.462 nan 8.370 nan 0.000 0.512 234 K N -0.031 120.436 120.400 0.113 0.000 2.281 234 K HA 0.398 4.718 4.320 -0.001 0.000 0.242 234 K C 0.970 177.574 176.600 0.006 0.000 0.971 234 K CA -0.774 55.543 56.287 0.051 0.000 0.834 234 K CB 3.000 35.517 32.500 0.028 0.000 1.181 234 K HN -0.355 nan 8.250 nan 0.000 0.435 235 V N 0.979 120.879 119.914 -0.023 0.000 2.287 235 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 235 V C 2.310 178.348 176.094 -0.092 0.000 1.053 235 V CA 2.616 64.875 62.300 -0.069 0.000 1.027 235 V CB -0.692 31.086 31.823 -0.075 0.000 0.646 235 V HN 1.001 nan 8.190 nan 0.000 0.447 236 S N 1.036 116.698 115.700 -0.062 0.000 2.359 236 S HA -0.263 4.206 4.470 -0.001 0.000 0.224 236 S C 2.033 176.591 174.600 -0.070 0.000 1.035 236 S CA 2.100 60.263 58.200 -0.061 0.000 1.018 236 S CB -1.162 62.016 63.200 -0.038 0.000 0.876 236 S HN 0.763 nan 8.310 nan 0.000 0.448 237 T N -0.942 113.578 114.554 -0.056 0.000 2.985 237 T HA -0.008 4.342 4.350 -0.001 0.000 0.266 237 T C 1.866 176.510 174.700 -0.093 0.000 1.076 237 T CA 1.432 63.490 62.100 -0.070 0.000 1.135 237 T CB -1.218 67.630 68.868 -0.032 0.000 0.890 237 T HN 0.430 nan 8.240 nan 0.000 0.480 238 T N 2.151 116.658 114.554 -0.078 0.000 2.674 238 T HA -0.041 4.308 4.350 -0.001 0.000 0.265 238 T C 1.959 176.560 174.700 -0.166 0.000 1.039 238 T CA 1.305 63.346 62.100 -0.098 0.000 1.150 238 T CB -0.239 68.581 68.868 -0.081 0.000 0.864 238 T HN 0.466 nan 8.240 nan 0.000 0.427 239 K N 1.174 121.446 120.400 -0.213 0.000 2.032 239 K HA -0.051 4.269 4.320 -0.001 0.000 0.209 239 K C 2.694 179.266 176.600 -0.048 0.000 1.048 239 K CA 1.304 57.456 56.287 -0.225 0.000 0.927 239 K CB -0.369 31.957 32.500 -0.289 0.000 0.712 239 K HN 0.292 nan 8.250 nan 0.000 0.441 240 A N 1.589 124.363 122.820 -0.077 0.000 1.883 240 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 240 A C 2.402 179.905 177.584 -0.135 0.000 1.186 240 A CA 2.014 54.003 52.037 -0.081 0.000 0.624 240 A CB -0.779 18.156 19.000 -0.109 0.000 0.822 240 A HN 0.362 nan 8.150 nan 0.000 0.444 241 A N -0.304 122.400 122.820 -0.193 0.000 1.877 241 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 241 A C 2.198 179.665 177.584 -0.195 0.000 1.186 241 A CA 1.550 53.446 52.037 -0.234 0.000 0.620 241 A CB -0.649 18.223 19.000 -0.214 0.000 0.822 241 A HN 0.479 nan 8.150 nan 0.000 0.443 242 L N -0.506 120.567 121.223 -0.250 0.000 2.046 242 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 242 L C 1.991 178.658 176.870 -0.338 0.000 1.077 242 L CA 1.512 56.043 54.840 -0.514 0.000 0.747 242 L CB -0.674 40.886 42.059 -0.833 0.000 0.896 242 L HN 0.315 nan 8.230 nan 0.000 0.432 243 D N -0.353 120.000 120.400 -0.077 0.000 2.219 243 D HA -0.124 4.516 4.640 -0.001 0.000 0.205 243 D C 2.164 178.490 176.300 0.044 0.000 0.970 243 D CA 1.472 55.524 54.000 0.087 0.000 0.851 243 D CB -0.026 40.846 40.800 0.121 0.000 0.943 243 D HN 0.350 nan 8.370 nan 0.000 0.488 244 V N -2.773 117.127 119.914 -0.025 0.000 3.041 244 V HA 0.313 4.432 4.120 -0.001 0.000 0.260 244 V C 1.486 177.580 176.094 0.001 0.000 1.105 244 V CA 1.109 63.394 62.300 -0.026 0.000 1.125 244 V CB -0.193 31.584 31.823 -0.076 0.000 0.730 244 V HN 0.222 nan 8.190 nan 0.000 0.479 245 G N 0.395 109.199 108.800 0.006 0.000 2.143 245 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.175 245 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.175 245 G C 0.078 174.988 174.900 0.016 0.000 1.004 245 G CA 0.151 45.281 45.100 0.050 0.000 0.671 245 G HN 1.668 nan 8.290 nan 0.000 0.512 246 V N -2.081 117.815 119.914 -0.029 0.000 2.924 246 V HA 0.554 4.673 4.120 -0.001 0.000 0.305 246 V C 0.975 177.060 176.094 -0.015 0.000 1.073 246 V CA 0.684 62.976 62.300 -0.012 0.000 1.098 246 V CB 1.313 33.147 31.823 0.018 0.000 1.000 246 V HN 0.119 nan 8.190 nan 0.000 0.484 247 D N 2.469 122.854 120.400 -0.025 0.000 2.366 247 D HA 0.220 4.860 4.640 -0.001 0.000 0.205 247 D C 0.779 177.136 176.300 0.094 0.000 1.022 247 D CA 1.307 55.306 54.000 -0.002 0.000 0.868 247 D CB 0.922 41.641 40.800 -0.136 0.000 0.953 247 D HN 0.880 nan 8.370 nan 0.000 0.514 248 G N 0.786 109.633 108.800 0.079 0.000 2.662 248 G HA2 0.510 4.469 3.960 -0.001 0.000 0.302 248 G HA3 0.510 4.469 3.960 -0.001 0.000 0.302 248 G C -0.974 174.090 174.900 0.273 0.000 1.389 248 G CA -0.363 44.863 45.100 0.210 0.000 0.998 248 G HN -0.110 nan 8.290 nan 0.000 0.502 249 I N 2.522 123.257 120.570 0.275 0.000 2.382 249 I HA 0.375 4.544 4.170 -0.001 0.000 0.286 249 I C -0.069 176.226 176.117 0.297 0.000 1.002 249 I CA -0.706 60.747 61.300 0.256 0.000 1.135 249 I CB 1.582 39.676 38.000 0.156 0.000 1.288 249 I HN 0.466 nan 8.210 nan 0.000 0.448 250 M N 5.757 125.563 119.600 0.345 0.000 2.209 250 M HA 0.456 4.936 4.480 -0.001 0.000 0.355 250 M C -0.460 175.959 176.300 0.198 0.000 1.171 250 M CA 0.204 55.684 55.300 0.301 0.000 1.069 250 M CB 1.316 34.138 32.600 0.371 0.000 1.622 250 M HN 0.707 nan 8.290 nan 0.000 0.459 251 T N 2.398 117.041 114.554 0.149 0.000 2.932 251 T HA 0.367 4.717 4.350 -0.001 0.000 0.318 251 T C 0.140 174.859 174.700 0.033 0.000 1.265 251 T CA -0.824 61.332 62.100 0.093 0.000 1.036 251 T CB 1.130 70.077 68.868 0.132 0.000 1.209 251 T HN 0.804 nan 8.240 nan 0.000 0.484 252 N N 1.592 120.196 118.700 -0.160 0.000 2.494 252 N HA 0.048 4.788 4.740 -0.001 0.000 0.182 252 N C -0.754 174.449 175.510 -0.512 0.000 1.076 252 N CA 0.757 53.562 53.050 -0.409 0.000 0.908 252 N CB 0.164 38.174 38.487 -0.794 0.000 0.967 252 N HN 0.590 nan 8.380 nan 0.000 0.449 253 Y N -1.026 119.421 120.300 0.245 0.000 2.592 253 Y HA 0.366 4.916 4.550 -0.001 0.000 0.354 253 Y C -2.002 173.982 175.900 0.141 0.000 1.063 253 Y CA -2.225 55.977 58.100 0.171 0.000 1.205 253 Y CB 1.375 39.896 38.460 0.102 0.000 1.106 253 Y HN -0.114 nan 8.280 nan 0.000 0.649 254 P HA -0.168 nan 4.420 nan 0.000 0.221 254 P C 1.255 178.633 177.300 0.130 0.000 1.145 254 P CA 1.563 64.772 63.100 0.181 0.000 0.795 254 P CB 0.335 32.148 31.700 0.188 0.000 0.775 255 N N -0.566 118.211 118.700 0.128 0.000 2.289 255 N HA -0.095 4.645 4.740 -0.001 0.000 0.184 255 N C 1.431 176.979 175.510 0.064 0.000 1.016 255 N CA 1.083 54.178 53.050 0.075 0.000 0.872 255 N CB -1.243 37.276 38.487 0.053 0.000 0.973 255 N HN 0.057 nan 8.380 nan 0.000 0.433 256 V N 1.529 121.501 119.914 0.096 0.000 2.295 256 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 256 V C 2.576 178.686 176.094 0.026 0.000 1.049 256 V CA 1.417 63.753 62.300 0.060 0.000 1.024 256 V CB -0.702 31.179 31.823 0.098 0.000 0.648 256 V HN 0.241 nan 8.190 nan 0.000 0.447 257 L N -0.263 120.986 121.223 0.043 0.000 2.093 257 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 257 L C 2.230 179.108 176.870 0.012 0.000 1.085 257 L CA 1.788 56.637 54.840 0.016 0.000 0.755 257 L CB -0.607 41.475 42.059 0.039 0.000 0.904 257 L HN 0.134 nan 8.230 nan 0.000 0.435 258 I N 0.320 120.906 120.570 0.027 0.000 2.151 258 I HA -0.236 3.934 4.170 -0.001 0.000 0.243 258 I C 2.596 178.721 176.117 0.012 0.000 1.080 258 I CA 1.589 62.901 61.300 0.020 0.000 1.339 258 I CB -2.271 35.742 38.000 0.022 0.000 1.039 258 I HN 0.410 nan 8.210 nan 0.000 0.409 259 G N 0.377 109.180 108.800 0.005 0.000 2.418 259 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 259 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 259 G C 1.871 176.760 174.900 -0.018 0.000 1.158 259 G CA 0.948 46.045 45.100 -0.005 0.000 0.771 259 G HN 0.292 nan 8.290 nan 0.000 0.545 260 V N 0.875 120.760 119.914 -0.047 0.000 2.358 260 V HA -0.071 4.048 4.120 -0.001 0.000 0.246 260 V C 2.828 178.916 176.094 -0.011 0.000 1.047 260 V CA 1.231 63.462 62.300 -0.114 0.000 1.035 260 V CB -0.323 31.371 31.823 -0.215 0.000 0.658 260 V HN 0.343 nan 8.190 nan 0.000 0.452 261 L N -0.539 120.707 121.223 0.038 0.000 2.362 261 L HA -0.142 4.197 4.340 -0.001 0.000 0.219 261 L C 2.340 179.270 176.870 0.101 0.000 1.134 261 L CA 1.267 56.173 54.840 0.110 0.000 0.807 261 L CB -0.467 41.636 42.059 0.074 0.000 0.927 261 L HN 0.332 nan 8.230 nan 0.000 0.447 262 K N -0.161 120.279 120.400 0.065 0.000 2.305 262 K HA 0.011 4.331 4.320 -0.001 0.000 0.199 262 K C 0.356 177.002 176.600 0.077 0.000 1.047 262 K CA 0.224 56.545 56.287 0.056 0.000 0.976 262 K CB 0.138 32.657 32.500 0.032 0.000 0.765 262 K HN 0.354 nan 8.250 nan 0.000 0.474 263 E N 1.652 121.916 120.200 0.107 0.000 2.373 263 E HA 0.001 4.350 4.350 -0.001 0.000 0.267 263 E C -0.185 176.522 176.600 0.178 0.000 1.032 263 E CA -0.263 56.218 56.400 0.135 0.000 0.889 263 E CB 1.017 30.799 29.700 0.137 0.000 0.984 263 E HN 0.020 nan 8.360 nan 0.000 0.425 264 S N 2.040 117.815 115.700 0.125 0.000 2.558 264 S HA 0.152 4.621 4.470 -0.001 0.000 0.291 264 S C 1.093 175.757 174.600 0.107 0.000 1.306 264 S CA 0.677 58.930 58.200 0.089 0.000 1.056 264 S CB 0.228 63.464 63.200 0.059 0.000 0.836 264 S HN 0.806 nan 8.310 nan 0.000 0.504 265 G N 4.199 113.004 108.800 0.008 0.000 5.219 265 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.267 265 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.267 265 G C 0.734 175.508 174.900 -0.209 0.000 1.495 265 G CA 0.536 45.562 45.100 -0.123 0.000 0.988 265 G HN 0.827 nan 8.290 nan 0.000 0.707 266 Y N 2.942 123.288 120.300 0.077 0.000 2.139 266 Y HA -0.199 4.351 4.550 -0.001 0.000 0.282 266 Y C 2.858 178.811 175.900 0.088 0.000 1.179 266 Y CA 2.554 60.765 58.100 0.185 0.000 1.161 266 Y CB -0.478 38.107 38.460 0.208 0.000 0.970 266 Y HN 0.654 nan 8.280 nan 0.000 0.511 267 N N -0.992 117.797 118.700 0.149 0.000 2.550 267 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 267 N C 0.462 175.963 175.510 -0.015 0.000 1.110 267 N CA 1.462 54.558 53.050 0.076 0.000 0.912 267 N CB -0.343 38.186 38.487 0.070 0.000 0.968 267 N HN 0.294 nan 8.380 nan 0.000 0.448 268 D N -0.643 119.707 120.400 -0.083 0.000 2.395 268 D HA 0.165 4.805 4.640 -0.001 0.000 0.213 268 D C 0.589 176.755 176.300 -0.223 0.000 1.110 268 D CA 0.168 54.096 54.000 -0.120 0.000 0.835 268 D CB 0.509 41.250 40.800 -0.099 0.000 0.965 268 D HN 0.393 nan 8.370 nan 0.000 0.505 269 K N -0.909 119.254 120.400 -0.394 0.000 2.511 269 K HA 0.118 4.438 4.320 -0.001 0.000 0.206 269 K C -0.444 175.626 176.600 -0.885 0.000 1.333 269 K CA 0.160 55.995 56.287 -0.753 0.000 0.957 269 K CB 1.434 33.192 32.500 -1.237 0.000 1.172 269 K HN -0.071 nan 8.250 nan 0.000 0.547 270 Y N 1.002 121.274 120.300 -0.047 0.000 2.524 270 Y HA 0.460 5.010 4.550 -0.001 0.000 0.347 270 Y C -0.556 175.311 175.900 -0.056 0.000 1.005 270 Y CA -1.433 56.626 58.100 -0.068 0.000 1.025 270 Y CB 1.578 40.037 38.460 -0.001 0.000 1.275 270 Y HN -0.128 nan 8.280 nan 0.000 0.460 271 R N 0.944 121.478 120.500 0.056 0.000 2.739 271 R HA 0.699 5.038 4.340 -0.001 0.000 0.271 271 R C -2.100 174.160 176.300 -0.067 0.000 1.010 271 R CA -1.161 54.937 56.100 -0.003 0.000 0.897 271 R CB 1.659 31.936 30.300 -0.040 0.000 1.236 271 R HN 0.606 nan 8.270 nan 0.000 0.466 272 L N 2.001 123.178 121.223 -0.076 0.000 2.410 272 L HA 0.370 4.709 4.340 -0.001 0.000 0.273 272 L C 0.004 176.723 176.870 -0.252 0.000 1.144 272 L CA 0.387 55.144 54.840 -0.138 0.000 0.863 272 L CB 0.849 42.859 42.059 -0.082 0.000 1.140 272 L HN 0.864 nan 8.230 nan 0.000 0.463 273 A N 3.776 126.304 122.820 -0.487 0.000 2.483 273 A HA 0.511 4.830 4.320 -0.001 0.000 0.238 273 A C 0.425 177.741 177.584 -0.446 0.000 1.070 273 A CA 0.358 51.954 52.037 -0.735 0.000 0.770 273 A CB -0.208 17.649 19.000 -1.906 0.000 1.008 273 A HN 0.887 nan 8.150 nan 0.000 0.497 274 T N -1.458 112.927 114.554 -0.282 0.000 2.883 274 T HA 0.404 4.753 4.350 -0.001 0.000 0.284 274 T C 0.710 175.415 174.700 0.008 0.000 1.041 274 T CA -0.117 61.934 62.100 -0.081 0.000 1.007 274 T CB 0.437 69.301 68.868 -0.007 0.000 1.220 274 T HN 0.568 nan 8.240 nan 0.000 0.552 275 Y N 0.729 121.048 120.300 0.032 0.000 2.256 275 Y HA -0.087 4.462 4.550 -0.001 0.000 0.288 275 Y C 1.664 177.640 175.900 0.127 0.000 1.155 275 Y CA 1.921 60.096 58.100 0.126 0.000 1.203 275 Y CB -0.415 38.135 38.460 0.151 0.000 0.980 275 Y HN 0.636 nan 8.280 nan 0.000 0.530 276 D N -0.088 120.347 120.400 0.059 0.000 2.349 276 D HA -0.047 4.592 4.640 -0.001 0.000 0.224 276 D C -0.376 175.897 176.300 -0.046 0.000 1.029 276 D CA 0.561 54.560 54.000 -0.000 0.000 0.879 276 D CB -0.193 40.652 40.800 0.076 0.000 0.906 276 D HN 0.387 nan 8.370 nan 0.000 0.528 277 D N 1.530 121.891 120.400 -0.065 0.000 2.365 277 D HA 0.002 4.642 4.640 -0.001 0.000 0.237 277 D C 0.282 176.560 176.300 -0.036 0.000 1.190 277 D CA -0.258 53.732 54.000 -0.017 0.000 0.867 277 D CB 0.548 41.312 40.800 -0.061 0.000 1.050 277 D HN -0.092 nan 8.370 nan 0.000 0.491 278 N N 3.887 122.523 118.700 -0.106 0.000 2.438 278 N HA 0.001 4.740 4.740 -0.001 0.000 0.267 278 N C -1.583 173.692 175.510 -0.392 0.000 1.222 278 N CA -1.514 51.327 53.050 -0.349 0.000 0.930 278 N CB 1.060 39.436 38.487 -0.184 0.000 1.083 278 N HN 0.124 nan 8.380 nan 0.000 0.476 279 P HA -0.033 nan 4.420 nan 0.000 0.237 279 P C 0.256 177.341 177.300 -0.359 0.000 1.178 279 P CA 0.986 63.554 63.100 -0.886 0.000 0.766 279 P CB -0.131 30.651 31.700 -1.531 0.000 0.876 280 W N 0.465 121.620 121.300 -0.241 0.000 3.278 280 W HA 0.256 4.915 4.660 -0.001 0.000 0.308 280 W C 0.758 177.246 176.519 -0.052 0.000 1.253 280 W CA -0.754 56.505 57.345 -0.142 0.000 1.759 280 W CB 0.326 29.558 29.460 -0.380 0.000 1.093 280 W HN -0.018 nan 8.180 nan 0.000 0.648 281 E N 1.524 121.790 120.200 0.110 0.000 2.146 281 E HA 0.160 4.509 4.350 -0.001 0.000 0.282 281 E C -0.218 176.441 176.600 0.098 0.000 0.989 281 E CA -0.309 56.152 56.400 0.102 0.000 0.799 281 E CB 1.010 30.755 29.700 0.075 0.000 1.088 281 E HN -0.253 nan 8.360 nan 0.000 0.397 282 T N 4.857 119.458 114.554 0.079 0.000 2.853 282 T HA 0.008 4.358 4.350 -0.001 0.000 0.298 282 T C -0.102 174.663 174.700 0.109 0.000 0.978 282 T CA -0.110 62.028 62.100 0.064 0.000 1.152 282 T CB -0.106 68.773 68.868 0.018 0.000 0.914 282 T HN 0.320 nan 8.240 nan 0.000 0.539 283 F N 3.907 123.862 119.950 0.008 0.000 2.543 283 F HA 0.318 4.844 4.527 -0.001 0.000 0.375 283 F C 0.404 176.212 175.800 0.014 0.000 1.075 283 F CA -0.335 57.681 58.000 0.027 0.000 1.225 283 F CB 0.178 39.206 39.000 0.047 0.000 1.099 283 F HN 0.388 nan 8.300 nan 0.000 0.561 284 K N 5.529 125.467 120.400 -0.770 0.000 2.397 284 K HA 0.487 4.807 4.320 -0.001 0.000 0.253 284 K C -0.939 175.080 176.600 -0.968 0.000 0.932 284 K CA -0.928 54.947 56.287 -0.686 0.000 0.795 284 K CB 1.590 33.909 32.500 -0.303 0.000 1.159 284 K HN 0.628 nan 8.250 nan 0.000 0.424 285 N N 0.000 118.265 118.700 -0.725 0.000 1.763 285 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 285 N CA 0.000 52.815 53.050 -0.392 0.000 0.885 285 N CB 0.000 38.290 38.487 -0.328 0.000 1.341 285 N HN 0.000 nan 8.380 nan 0.000 0.667