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 2o54_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRLFIAEKPS LARAIADVLP KPHRKGDGFI ECGNGQVVTW CIGHLLEQAQ DATA SEQUENCE PDAYDSRYAR WNLADLPIVP EKWQLQPRPS VTKQLNVIKR FLHEASEIVH DATA SEQUENCE AGDPDREGQL LVDEVLDYLQ LAPEKRQQVQ RCLINDLNPQ AVERAIDRLR DATA SEQUENCE SNSEFVPLCV SALARARADW LYGINMTRAY TILGRNAGYQ GVLSVGRVQT DATA SEQUENCE PVLGLVVRRD EEIENFVAKD FFEVKAHIVT PADERFTAIW QPSEACEPYQ DATA SEQUENCE DEEGRLLHRP LAEHVVNRIS GQPAIVTSYN DKRESESAPL PFSLSALQIE DATA SEQUENCE AAKRFGLSAQ NVLDICQKLY ETHKLITYPR SDCRYLPEEH FAGRHAVMNA DATA SEQUENCE ISVHAPDLLP QPVVDPDIRN RCWDDKKVDA HHAIIPTARS SAINLTENEA DATA SEQUENCE KVYNLIARQY LMQFCPDAVF RKCVIELDIA KGKFVAKARF LAEAGWRTLL DATA SEQUENCE GSKERDEEND GTPLPVVAKG DELLCEKGEV VERQTQPPRH FTDATLLSAM DATA SEQUENCE TGIARFVQDK DLKKILRATD GLGTEATRAG IIELLFKRGF LTKKGRYIHS DATA SEQUENCE TDAGKALFHS LPEMATRPDM TAHWESVLTQ ISEKQCRYQD FMQPLVGTLY DATA SEQUENCE QLIDQAKRTP VRQFRGIVAP XXXXXXXXXX XXXXXXXXXX XXXXXXXGSG DATA SEQUENCE AIAHHHHH 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.318 55.300 0.029 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 R N 3.627 124.127 120.500 -0.000 0.000 2.265 2 R HA 0.666 5.006 4.340 -0.000 0.000 0.319 2 R C -1.518 174.731 176.300 -0.084 0.000 1.006 2 R CA -0.558 55.504 56.100 -0.064 0.000 0.880 2 R CB 1.143 31.396 30.300 -0.077 0.000 1.077 2 R HN 0.628 nan 8.270 nan 0.000 0.454 3 L N 5.716 126.846 121.223 -0.154 0.000 2.287 3 L HA 0.456 4.796 4.340 -0.000 0.000 0.287 3 L C -1.550 175.183 176.870 -0.229 0.000 1.022 3 L CA -0.160 54.608 54.840 -0.119 0.000 0.814 3 L CB 0.996 43.014 42.059 -0.068 0.000 1.217 3 L HN 0.541 nan 8.230 nan 0.000 0.420 4 F N 5.858 125.785 119.950 -0.039 0.000 2.410 4 F HA 0.481 5.008 4.527 -0.000 0.000 0.349 4 F C 0.267 176.062 175.800 -0.008 0.000 1.117 4 F CA -0.275 57.718 58.000 -0.011 0.000 1.104 4 F CB 1.050 40.053 39.000 0.004 0.000 1.122 4 F HN 0.260 nan 8.300 nan 0.000 0.483 5 I N 4.095 124.747 120.570 0.137 0.000 2.460 5 I HA 0.378 4.548 4.170 -0.000 0.000 0.277 5 I C 0.245 176.431 176.117 0.114 0.000 1.057 5 I CA -0.547 60.803 61.300 0.084 0.000 1.179 5 I CB 0.542 38.528 38.000 -0.023 0.000 1.329 5 I HN 0.674 nan 8.210 nan 0.000 0.478 6 A N 4.303 127.238 122.820 0.191 0.000 2.386 6 A HA 0.101 4.421 4.320 -0.000 0.000 0.246 6 A C 1.360 179.028 177.584 0.140 0.000 1.089 6 A CA -0.053 52.084 52.037 0.168 0.000 0.790 6 A CB 0.420 19.528 19.000 0.179 0.000 1.042 6 A HN 0.823 nan 8.150 nan 0.000 0.497 7 E N 0.059 120.315 120.200 0.094 0.000 2.152 7 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 7 E C 0.378 177.040 176.600 0.104 0.000 0.983 7 E CA 1.336 57.776 56.400 0.068 0.000 0.818 7 E CB -0.060 29.662 29.700 0.036 0.000 0.758 7 E HN 0.623 nan 8.360 nan 0.000 0.467 8 K N -2.243 118.216 120.400 0.098 0.000 2.551 8 K HA 0.282 4.602 4.320 -0.000 0.000 0.269 8 K C -2.727 173.776 176.600 -0.161 0.000 0.949 8 K CA -1.698 54.612 56.287 0.038 0.000 0.849 8 K CB 1.935 34.454 32.500 0.032 0.000 1.411 8 K HN -0.374 nan 8.250 nan 0.000 0.432 9 P HA -0.328 nan 4.420 nan 0.000 0.217 9 P C 1.595 178.523 177.300 -0.620 0.000 1.162 9 P CA 2.516 64.946 63.100 -1.116 0.000 0.901 9 P CB 0.047 31.212 31.700 -0.892 0.000 0.793 10 S N -0.985 114.513 115.700 -0.338 0.000 2.383 10 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 10 S C 1.876 176.382 174.600 -0.156 0.000 1.030 10 S CA 1.403 59.471 58.200 -0.219 0.000 1.002 10 S CB -1.445 61.682 63.200 -0.122 0.000 0.829 10 S HN 0.039 nan 8.310 nan 0.000 0.467 11 L N 1.341 122.496 121.223 -0.113 0.000 2.313 11 L HA 0.395 4.735 4.340 -0.000 0.000 0.214 11 L C 2.504 179.330 176.870 -0.073 0.000 1.119 11 L CA 1.273 56.077 54.840 -0.060 0.000 0.809 11 L CB -0.947 41.102 42.059 -0.015 0.000 0.933 11 L HN 0.373 nan 8.230 nan 0.000 0.449 12 A N -0.347 122.411 122.820 -0.103 0.000 1.929 12 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 12 A C 2.394 179.902 177.584 -0.125 0.000 1.176 12 A CA 1.273 53.285 52.037 -0.041 0.000 0.628 12 A CB -0.432 18.648 19.000 0.134 0.000 0.816 12 A HN 0.446 nan 8.150 nan 0.000 0.444 13 R N -0.383 119.992 120.500 -0.209 0.000 2.120 13 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 13 R C 2.407 178.614 176.300 -0.154 0.000 1.123 13 R CA 1.154 57.139 56.100 -0.190 0.000 0.975 13 R CB -0.407 29.769 30.300 -0.207 0.000 0.866 13 R HN 0.524 nan 8.270 nan 0.000 0.446 14 A N 1.136 123.880 122.820 -0.126 0.000 1.873 14 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 14 A C 2.122 179.630 177.584 -0.127 0.000 1.186 14 A CA 1.135 53.115 52.037 -0.095 0.000 0.616 14 A CB -0.393 18.575 19.000 -0.053 0.000 0.823 14 A HN 0.162 nan 8.150 nan 0.000 0.442 15 I N -0.201 120.270 120.570 -0.165 0.000 2.202 15 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 15 I C 2.972 178.902 176.117 -0.311 0.000 1.091 15 I CA 1.030 62.171 61.300 -0.265 0.000 1.368 15 I CB -0.385 37.389 38.000 -0.378 0.000 1.058 15 I HN 0.345 nan 8.210 nan 0.000 0.410 16 A N 0.518 123.163 122.820 -0.293 0.000 1.908 16 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 16 A C 1.981 179.271 177.584 -0.491 0.000 1.181 16 A CA 2.346 54.158 52.037 -0.375 0.000 0.627 16 A CB -0.808 17.997 19.000 -0.326 0.000 0.818 16 A HN 0.472 nan 8.150 nan 0.000 0.445 17 D N -0.782 119.431 120.400 -0.313 0.000 2.158 17 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 17 D C 1.411 177.669 176.300 -0.071 0.000 0.995 17 D CA 1.527 55.423 54.000 -0.173 0.000 0.846 17 D CB -0.033 40.714 40.800 -0.089 0.000 0.941 17 D HN 0.155 nan 8.370 nan 0.000 0.456 18 V N 0.092 119.946 119.914 -0.100 0.000 3.647 18 V HA 0.171 4.291 4.120 -0.000 0.000 0.279 18 V C 0.808 176.885 176.094 -0.030 0.000 1.314 18 V CA 0.035 62.308 62.300 -0.044 0.000 1.125 18 V CB -0.066 31.725 31.823 -0.053 0.000 0.907 18 V HN 0.169 nan 8.190 nan 0.000 0.434 19 L N 1.092 122.278 121.223 -0.061 0.000 2.379 19 L HA 0.385 4.725 4.340 -0.000 0.000 0.269 19 L C -2.121 174.844 176.870 0.158 0.000 1.084 19 L CA -1.871 52.967 54.840 -0.004 0.000 0.802 19 L CB 0.880 42.883 42.059 -0.094 0.000 1.175 19 L HN 0.027 nan 8.230 nan 0.000 0.448 20 P HA -0.034 nan 4.420 nan 0.000 0.264 20 P C -0.891 176.479 177.300 0.117 0.000 1.183 20 P CA -0.003 63.163 63.100 0.110 0.000 0.763 20 P CB 0.200 31.944 31.700 0.073 0.000 0.807 21 K N 4.201 124.595 120.400 -0.009 0.000 2.469 21 K HA 0.140 4.460 4.320 -0.000 0.000 0.274 21 K C -1.917 174.640 176.600 -0.071 0.000 0.983 21 K CA -0.748 55.432 56.287 -0.178 0.000 0.974 21 K CB -0.574 31.825 32.500 -0.169 0.000 0.913 21 K HN 0.416 nan 8.250 nan 0.000 0.493 22 P HA 0.361 nan 4.420 nan 0.000 0.285 22 P C -1.190 176.058 177.300 -0.087 0.000 1.285 22 P CA -0.641 62.343 63.100 -0.193 0.000 0.854 22 P CB 0.764 32.413 31.700 -0.085 0.000 1.180 23 H N -0.655 118.426 119.070 0.018 0.000 2.551 23 H HA 0.490 5.046 4.556 -0.000 0.000 0.321 23 H C 0.136 175.479 175.328 0.025 0.000 1.028 23 H CA -0.765 55.296 56.048 0.022 0.000 1.215 23 H CB 1.734 31.500 29.762 0.008 0.000 1.414 23 H HN 0.209 nan 8.280 nan 0.000 0.480 24 R N 3.302 123.897 120.500 0.158 0.000 2.265 24 R HA 0.219 4.559 4.340 -0.000 0.000 0.328 24 R C -0.796 175.542 176.300 0.063 0.000 0.969 24 R CA -0.832 55.329 56.100 0.102 0.000 0.832 24 R CB 0.553 30.921 30.300 0.113 0.000 1.139 24 R HN 0.583 nan 8.270 nan 0.000 0.457 25 K N 2.703 123.110 120.400 0.012 0.000 2.349 25 K HA 0.169 4.489 4.320 -0.000 0.000 0.289 25 K C 0.120 176.606 176.600 -0.190 0.000 1.064 25 K CA -0.064 56.185 56.287 -0.063 0.000 0.947 25 K CB 1.458 33.938 32.500 -0.033 0.000 1.007 25 K HN 0.729 nan 8.250 nan 0.000 0.478 26 G N 1.804 110.287 108.800 -0.529 0.000 2.552 26 G HA2 0.187 4.147 3.960 -0.000 0.000 0.324 26 G HA3 0.187 4.147 3.960 -0.000 0.000 0.324 26 G C -1.033 173.411 174.900 -0.759 0.000 1.217 26 G CA -0.851 43.682 45.100 -0.945 0.000 0.989 26 G HN 0.696 nan 8.290 nan 0.000 0.490 27 D N -1.631 118.478 120.400 -0.485 0.000 2.344 27 D HA 0.416 5.056 4.640 -0.000 0.000 0.253 27 D C 1.082 177.310 176.300 -0.120 0.000 1.255 27 D CA 0.297 54.194 54.000 -0.171 0.000 0.894 27 D CB 0.792 41.583 40.800 -0.016 0.000 1.067 27 D HN 1.027 nan 8.370 nan 0.000 0.492 28 G N 1.622 110.362 108.800 -0.099 0.000 2.175 28 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 28 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 28 G C -0.009 174.417 174.900 -0.789 0.000 0.982 28 G CA 0.196 45.110 45.100 -0.310 0.000 0.641 28 G HN 0.899 nan 8.290 nan 0.000 0.527 29 F N -1.601 118.078 119.950 -0.451 0.000 2.693 29 F HA 0.802 5.329 4.527 -0.000 0.000 0.309 29 F C -0.925 174.904 175.800 0.047 0.000 1.129 29 F CA -2.223 55.563 58.000 -0.355 0.000 0.948 29 F CB 1.020 39.857 39.000 -0.271 0.000 1.315 29 F HN 0.026 nan 8.300 nan 0.000 0.447 30 I N 1.833 122.556 120.570 0.255 0.000 2.410 30 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 30 I C -0.717 175.514 176.117 0.190 0.000 1.009 30 I CA -0.541 60.865 61.300 0.177 0.000 1.111 30 I CB 1.848 39.931 38.000 0.139 0.000 1.262 30 I HN 0.729 nan 8.210 nan 0.000 0.443 31 E N 5.188 125.531 120.200 0.237 0.000 2.259 31 E HA 0.453 4.803 4.350 -0.000 0.000 0.281 31 E C -1.215 175.479 176.600 0.157 0.000 1.027 31 E CA -0.405 56.109 56.400 0.191 0.000 0.838 31 E CB 1.247 31.103 29.700 0.261 0.000 1.066 31 E HN 0.640 nan 8.360 nan 0.000 0.401 32 C N 2.616 121.994 119.300 0.130 0.000 2.822 32 C HA 0.688 5.148 4.460 -0.000 0.000 0.341 32 C C 0.858 175.925 174.990 0.128 0.000 1.301 32 C CA -0.686 58.433 59.018 0.169 0.000 1.706 32 C CB 1.150 28.973 27.740 0.138 0.000 2.178 32 C HN 0.926 nan 8.230 nan 0.000 0.481 33 G N 0.462 109.336 108.800 0.125 0.000 2.651 33 G HA2 0.348 4.308 3.960 -0.000 0.000 0.260 33 G HA3 0.348 4.308 3.960 -0.000 0.000 0.260 33 G C 0.410 175.357 174.900 0.079 0.000 1.216 33 G CA 0.429 45.578 45.100 0.081 0.000 0.913 33 G HN 1.013 nan 8.290 nan 0.000 0.535 34 N N -1.524 117.213 118.700 0.062 0.000 2.708 34 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 34 N C 1.414 176.962 175.510 0.064 0.000 1.123 34 N CA 2.322 55.408 53.050 0.060 0.000 0.739 34 N CB -1.192 37.333 38.487 0.063 0.000 1.113 34 N HN 2.047 nan 8.380 nan 0.000 0.561 35 G N -1.910 106.929 108.800 0.064 0.000 2.168 35 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.263 35 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.263 35 G C -0.176 174.765 174.900 0.068 0.000 0.977 35 G CA 0.669 45.805 45.100 0.060 0.000 0.659 35 G HN 0.574 nan 8.290 nan 0.000 0.533 36 Q N -0.333 119.522 119.800 0.093 0.000 2.352 36 Q HA 0.549 4.889 4.340 -0.000 0.000 0.260 36 Q C -0.008 176.048 176.000 0.092 0.000 0.976 36 Q CA 0.039 55.922 55.803 0.134 0.000 0.881 36 Q CB 2.192 31.034 28.738 0.173 0.000 1.235 36 Q HN 0.373 nan 8.270 nan 0.000 0.419 37 V N 2.281 122.250 119.914 0.091 0.000 2.668 37 V HA 0.296 4.416 4.120 -0.000 0.000 0.304 37 V C -0.558 175.559 176.094 0.039 0.000 1.071 37 V CA -0.813 61.461 62.300 -0.043 0.000 0.894 37 V CB 2.306 33.935 31.823 -0.325 0.000 1.008 37 V HN 0.519 nan 8.190 nan 0.000 0.425 38 V N 3.408 123.347 119.914 0.041 0.000 2.370 38 V HA 0.743 4.863 4.120 -0.000 0.000 0.283 38 V C 0.164 176.327 176.094 0.115 0.000 1.023 38 V CA -0.150 62.225 62.300 0.125 0.000 0.857 38 V CB 1.444 33.316 31.823 0.081 0.000 0.985 38 V HN 0.924 nan 8.190 nan 0.000 0.443 39 T N 3.912 118.523 114.554 0.094 0.000 2.742 39 T HA 0.841 5.191 4.350 -0.000 0.000 0.282 39 T C -1.969 172.848 174.700 0.196 0.000 1.025 39 T CA -0.531 61.537 62.100 -0.054 0.000 1.020 39 T CB 1.747 70.474 68.868 -0.235 0.000 1.317 39 T HN 0.888 nan 8.240 nan 0.000 0.538 40 W N -0.183 121.146 121.300 0.049 0.000 3.296 40 W HA 0.700 5.360 4.660 -0.000 0.000 0.314 40 W C -1.000 175.533 176.519 0.023 0.000 1.238 40 W CA -1.079 56.282 57.345 0.027 0.000 1.193 40 W CB -0.154 29.317 29.460 0.019 0.000 1.383 40 W HN 0.659 nan 8.180 nan 0.000 0.545 41 C N 1.743 121.179 119.300 0.226 0.000 2.560 41 C HA 0.584 5.044 4.460 -0.000 0.000 0.334 41 C C 0.689 175.845 174.990 0.276 0.000 1.404 41 C CA -0.351 58.761 59.018 0.158 0.000 2.410 41 C CB 0.099 27.874 27.740 0.059 0.000 2.268 41 C HN 0.601 nan 8.230 nan 0.000 0.673 42 I N 1.712 122.393 120.570 0.185 0.000 2.925 42 I HA 0.446 4.616 4.170 -0.000 0.000 0.296 42 I C 0.731 176.912 176.117 0.106 0.000 1.413 42 I CA 0.418 61.820 61.300 0.170 0.000 0.932 42 I CB -0.340 37.770 38.000 0.184 0.000 1.873 42 I HN 1.042 nan 8.210 nan 0.000 0.619 43 G N 2.052 110.895 108.800 0.072 0.000 2.697 43 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.240 43 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.240 43 G C -0.127 174.776 174.900 0.006 0.000 1.346 43 G CA -0.662 44.453 45.100 0.026 0.000 0.887 43 G HN 0.556 nan 8.290 nan 0.000 0.569 44 H N 0.052 119.154 119.070 0.053 0.000 3.167 44 H HA 0.114 4.670 4.556 -0.000 0.000 0.306 44 H C 1.536 176.876 175.328 0.019 0.000 0.965 44 H CA 1.257 57.323 56.048 0.030 0.000 1.408 44 H CB 0.348 30.129 29.762 0.031 0.000 1.406 44 H HN 0.408 nan 8.280 nan 0.000 0.576 45 L N 4.059 125.350 121.223 0.113 0.000 2.640 45 L HA 0.209 4.549 4.340 -0.000 0.000 0.230 45 L C 0.363 177.223 176.870 -0.016 0.000 1.123 45 L CA 0.388 55.254 54.840 0.042 0.000 0.900 45 L CB 0.298 42.363 42.059 0.010 0.000 1.146 45 L HN 0.239 nan 8.230 nan 0.000 0.484 46 L N 0.083 121.311 121.223 0.008 0.000 2.354 46 L HA 0.500 4.840 4.340 -0.000 0.000 0.264 46 L C -0.590 176.244 176.870 -0.060 0.000 1.008 46 L CA -0.552 54.232 54.840 -0.093 0.000 0.819 46 L CB 2.372 44.325 42.059 -0.177 0.000 1.339 46 L HN 0.042 nan 8.230 nan 0.000 0.420 47 E N 0.988 121.141 120.200 -0.078 0.000 2.393 47 E HA 0.407 4.757 4.350 -0.000 0.000 0.273 47 E C -1.383 175.198 176.600 -0.032 0.000 0.918 47 E CA -1.093 55.268 56.400 -0.066 0.000 0.773 47 E CB 1.860 31.556 29.700 -0.006 0.000 1.275 47 E HN 0.407 nan 8.360 nan 0.000 0.451 48 Q N 0.806 120.598 119.800 -0.014 0.000 2.286 48 Q HA 0.237 4.577 4.340 -0.000 0.000 0.290 48 Q C -0.232 175.803 176.000 0.059 0.000 1.049 48 Q CA 0.244 56.048 55.803 0.002 0.000 0.923 48 Q CB 0.845 29.534 28.738 -0.081 0.000 1.183 48 Q HN 0.590 nan 8.270 nan 0.000 0.383 49 A N 3.848 126.686 122.820 0.029 0.000 2.507 49 A HA 0.008 4.328 4.320 -0.000 0.000 0.235 49 A C -0.053 177.643 177.584 0.186 0.000 1.070 49 A CA -0.376 51.672 52.037 0.018 0.000 0.768 49 A CB 0.335 19.221 19.000 -0.190 0.000 1.011 49 A HN 0.662 nan 8.150 nan 0.000 0.502 50 Q N 1.270 121.195 119.800 0.208 0.000 2.421 50 Q HA 0.102 4.442 4.340 -0.000 0.000 0.255 50 Q C -1.648 174.617 176.000 0.442 0.000 1.013 50 Q CA -1.481 54.539 55.803 0.363 0.000 0.895 50 Q CB -0.236 28.649 28.738 0.245 0.000 1.271 50 Q HN 0.461 nan 8.270 nan 0.000 0.460 51 P HA -0.234 nan 4.420 nan 0.000 0.216 51 P C 0.798 178.430 177.300 0.553 0.000 1.154 51 P CA 1.752 65.259 63.100 0.678 0.000 0.865 51 P CB 0.002 31.942 31.700 0.401 0.000 0.789 52 D N -0.525 120.083 120.400 0.347 0.000 2.354 52 D HA -0.139 4.501 4.640 -0.000 0.000 0.216 52 D C 1.563 177.900 176.300 0.062 0.000 0.970 52 D CA 1.093 55.216 54.000 0.205 0.000 0.905 52 D CB -0.463 40.431 40.800 0.157 0.000 0.903 52 D HN 0.140 nan 8.370 nan 0.000 0.508 53 A N 0.079 122.886 122.820 -0.020 0.000 2.015 53 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 53 A C 1.607 178.999 177.584 -0.320 0.000 1.163 53 A CA 0.761 52.652 52.037 -0.243 0.000 0.646 53 A CB -0.722 18.010 19.000 -0.445 0.000 0.806 53 A HN 0.338 nan 8.150 nan 0.000 0.448 54 Y N -1.337 118.981 120.300 0.031 0.000 2.389 54 Y HA 0.184 4.734 4.550 -0.000 0.000 0.292 54 Y C 0.574 176.384 175.900 -0.150 0.000 1.117 54 Y CA 0.555 58.644 58.100 -0.018 0.000 1.195 54 Y CB 0.624 39.126 38.460 0.070 0.000 1.076 54 Y HN 0.192 nan 8.280 nan 0.000 0.548 55 D N -0.965 119.323 120.400 -0.187 0.000 2.890 55 D HA 0.110 4.750 4.640 -0.000 0.000 0.233 55 D C 0.495 176.600 176.300 -0.325 0.000 1.306 55 D CA 0.200 53.926 54.000 -0.457 0.000 0.929 55 D CB 1.792 41.942 40.800 -1.084 0.000 1.512 55 D HN 0.099 nan 8.370 nan 0.000 0.568 56 S N 3.530 119.133 115.700 -0.163 0.000 2.402 56 S HA -0.249 4.221 4.470 -0.000 0.000 0.233 56 S C 1.800 176.383 174.600 -0.028 0.000 1.030 56 S CA 0.757 58.921 58.200 -0.062 0.000 1.003 56 S CB -0.014 63.162 63.200 -0.039 0.000 0.813 56 S HN 0.451 nan 8.310 nan 0.000 0.477 57 R N 0.906 121.356 120.500 -0.083 0.000 2.133 57 R HA -0.048 4.292 4.340 -0.000 0.000 0.247 57 R C 1.944 178.343 176.300 0.165 0.000 1.151 57 R CA 2.019 58.125 56.100 0.010 0.000 0.971 57 R CB -1.014 29.274 30.300 -0.020 0.000 0.866 57 R HN 0.721 nan 8.270 nan 0.000 0.447 58 Y N -0.795 119.556 120.300 0.086 0.000 2.569 58 Y HA -0.164 4.386 4.550 -0.000 0.000 0.293 58 Y C 2.144 178.127 175.900 0.139 0.000 1.144 58 Y CA -0.211 57.947 58.100 0.097 0.000 1.321 58 Y CB -0.124 38.404 38.460 0.114 0.000 0.982 58 Y HN 0.203 nan 8.280 nan 0.000 0.558 59 A N 0.680 123.672 122.820 0.286 0.000 2.019 59 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 59 A C 1.344 179.114 177.584 0.310 0.000 1.164 59 A CA 0.456 52.653 52.037 0.267 0.000 0.644 59 A CB -0.390 18.714 19.000 0.173 0.000 0.805 59 A HN 0.207 nan 8.150 nan 0.000 0.449 60 R N -0.159 120.497 120.500 0.259 0.000 2.347 60 R HA 0.181 4.521 4.340 -0.000 0.000 0.304 60 R C -1.542 174.974 176.300 0.359 0.000 1.072 60 R CA -0.705 55.543 56.100 0.246 0.000 0.980 60 R CB -0.193 30.202 30.300 0.159 0.000 0.986 60 R HN 0.357 nan 8.270 nan 0.000 0.448 61 W N 5.617 126.930 121.300 0.022 0.000 2.437 61 W HA 0.231 4.891 4.660 -0.000 0.000 0.312 61 W C -0.098 176.412 176.519 -0.014 0.000 1.242 61 W CA -0.417 56.925 57.345 -0.005 0.000 1.340 61 W CB -0.136 29.313 29.460 -0.019 0.000 1.327 61 W HN 0.719 nan 8.180 nan 0.000 0.476 62 N N 0.963 119.745 118.700 0.137 0.000 2.525 62 N HA 0.380 5.120 4.740 -0.000 0.000 0.270 62 N C -0.217 175.281 175.510 -0.020 0.000 1.321 62 N CA -0.828 52.262 53.050 0.065 0.000 0.797 62 N CB 1.028 39.555 38.487 0.067 0.000 1.529 62 N HN 0.212 nan 8.380 nan 0.000 0.491 63 L N -0.033 121.172 121.223 -0.029 0.000 2.109 63 L HA 0.067 4.407 4.340 -0.000 0.000 0.207 63 L C 2.349 179.174 176.870 -0.076 0.000 1.086 63 L CA 1.458 56.253 54.840 -0.074 0.000 0.760 63 L CB -0.606 41.413 42.059 -0.067 0.000 0.910 63 L HN 0.857 nan 8.230 nan 0.000 0.437 64 A N -0.105 122.692 122.820 -0.038 0.000 1.940 64 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 64 A C 1.765 179.326 177.584 -0.039 0.000 1.176 64 A CA 1.995 54.016 52.037 -0.026 0.000 0.631 64 A CB -0.441 18.562 19.000 0.005 0.000 0.814 64 A HN 0.380 nan 8.150 nan 0.000 0.446 65 D N -0.404 119.965 120.400 -0.051 0.000 2.363 65 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 65 D C 0.485 176.648 176.300 -0.228 0.000 0.994 65 D CA 0.230 54.176 54.000 -0.091 0.000 0.890 65 D CB -0.109 40.653 40.800 -0.063 0.000 0.906 65 D HN 0.403 nan 8.370 nan 0.000 0.530 66 L N 2.569 123.656 121.223 -0.225 0.000 2.371 66 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 66 L C -1.969 174.711 176.870 -0.317 0.000 1.124 66 L CA -1.687 52.978 54.840 -0.293 0.000 0.816 66 L CB 0.445 42.341 42.059 -0.273 0.000 1.129 66 L HN -0.221 nan 8.230 nan 0.000 0.448 67 P HA 0.189 nan 4.420 nan 0.000 0.275 67 P C -0.611 176.464 177.300 -0.375 0.000 1.227 67 P CA -0.192 62.647 63.100 -0.436 0.000 0.781 67 P CB 0.933 32.291 31.700 -0.569 0.000 0.906 68 I N 2.787 123.140 120.570 -0.363 0.000 2.322 68 I HA 0.128 4.298 4.170 -0.000 0.000 0.292 68 I C -0.005 176.028 176.117 -0.139 0.000 1.060 68 I CA -0.286 60.803 61.300 -0.353 0.000 1.309 68 I CB 0.668 38.381 38.000 -0.479 0.000 1.415 68 I HN 0.006 nan 8.210 nan 0.000 0.492 69 V N 8.348 128.183 119.914 -0.132 0.000 2.380 69 V HA 0.317 4.437 4.120 -0.000 0.000 0.286 69 V C -2.161 173.761 176.094 -0.286 0.000 1.015 69 V CA -1.560 60.684 62.300 -0.094 0.000 0.834 69 V CB 1.208 33.066 31.823 0.057 0.000 1.009 69 V HN 0.578 nan 8.190 nan 0.000 0.428 70 P HA 0.250 nan 4.420 nan 0.000 0.271 70 P C 0.710 177.656 177.300 -0.591 0.000 1.216 70 P CA -0.304 62.189 63.100 -1.011 0.000 0.776 70 P CB 0.830 31.257 31.700 -2.121 0.000 0.881 71 E N 1.350 121.361 120.200 -0.316 0.000 2.166 71 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 71 E C 0.347 176.905 176.600 -0.071 0.000 0.967 71 E CA 0.392 56.723 56.400 -0.115 0.000 0.840 71 E CB 0.011 29.695 29.700 -0.027 0.000 0.795 71 E HN 0.095 nan 8.360 nan 0.000 0.470 72 K N 0.983 121.328 120.400 -0.092 0.000 2.521 72 K HA 0.171 4.491 4.320 -0.000 0.000 0.248 72 K C -1.795 174.849 176.600 0.074 0.000 0.978 72 K CA -0.565 55.742 56.287 0.033 0.000 0.947 72 K CB 0.209 32.747 32.500 0.064 0.000 1.165 72 K HN -0.003 nan 8.250 nan 0.000 0.445 73 W N 2.700 124.053 121.300 0.088 0.000 2.170 73 W HA 0.183 4.843 4.660 -0.000 0.000 0.342 73 W C 0.503 177.112 176.519 0.150 0.000 1.294 73 W CA 0.192 57.611 57.345 0.122 0.000 1.246 73 W CB 0.564 30.032 29.460 0.014 0.000 1.156 73 W HN 0.396 nan 8.180 nan 0.000 0.572 74 Q N 1.827 121.863 119.800 0.393 0.000 2.413 74 Q HA 0.680 5.020 4.340 -0.000 0.000 0.276 74 Q C -1.044 175.040 176.000 0.139 0.000 1.099 74 Q CA -1.095 54.807 55.803 0.165 0.000 0.814 74 Q CB 2.365 31.054 28.738 -0.081 0.000 1.379 74 Q HN 0.348 nan 8.270 nan 0.000 0.436 75 L N 1.276 122.574 121.223 0.124 0.000 2.370 75 L HA 0.524 4.864 4.340 -0.000 0.000 0.266 75 L C -0.777 176.099 176.870 0.009 0.000 1.002 75 L CA -0.793 54.075 54.840 0.047 0.000 0.818 75 L CB 2.183 44.249 42.059 0.011 0.000 1.325 75 L HN 0.491 nan 8.230 nan 0.000 0.418 76 Q N 1.963 121.728 119.800 -0.058 0.000 2.353 76 Q HA 0.438 4.778 4.340 -0.000 0.000 0.268 76 Q C -2.531 173.385 176.000 -0.140 0.000 1.045 76 Q CA -2.152 53.614 55.803 -0.060 0.000 0.811 76 Q CB 2.154 30.887 28.738 -0.007 0.000 1.305 76 Q HN 0.261 nan 8.270 nan 0.000 0.447 77 P HA -0.110 nan 4.420 nan 0.000 0.263 77 P C -0.780 176.492 177.300 -0.048 0.000 1.175 77 P CA 0.272 63.296 63.100 -0.127 0.000 0.761 77 P CB 0.435 32.102 31.700 -0.055 0.000 0.794 78 R N 6.740 127.221 120.500 -0.031 0.000 2.288 78 R HA 0.096 4.436 4.340 -0.000 0.000 0.330 78 R C -1.217 175.094 176.300 0.019 0.000 1.069 78 R CA -1.405 54.701 56.100 0.010 0.000 0.941 78 R CB 0.194 30.512 30.300 0.031 0.000 0.998 78 R HN 0.374 nan 8.270 nan 0.000 0.452 79 P HA -0.172 nan 4.420 nan 0.000 0.217 79 P C 0.503 177.820 177.300 0.029 0.000 1.148 79 P CA 1.308 64.424 63.100 0.026 0.000 0.828 79 P CB 0.231 31.949 31.700 0.029 0.000 0.783 80 S N -0.002 115.719 115.700 0.035 0.000 2.399 80 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 80 S C 1.590 176.216 174.600 0.042 0.000 1.022 80 S CA 1.405 59.628 58.200 0.039 0.000 0.983 80 S CB -1.024 62.203 63.200 0.045 0.000 0.803 80 S HN 0.224 nan 8.310 nan 0.000 0.480 81 V N -0.837 119.102 119.914 0.042 0.000 2.804 81 V HA 0.438 4.558 4.120 -0.000 0.000 0.360 81 V C 1.000 177.113 176.094 0.032 0.000 1.282 81 V CA -0.133 62.196 62.300 0.047 0.000 1.274 81 V CB -0.235 31.626 31.823 0.062 0.000 1.415 81 V HN 0.233 nan 8.190 nan 0.000 0.610 82 T N 0.360 114.930 114.554 0.027 0.000 2.951 82 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 82 T C 1.806 176.516 174.700 0.018 0.000 1.073 82 T CA 1.437 63.548 62.100 0.020 0.000 1.134 82 T CB -0.069 68.811 68.868 0.021 0.000 0.884 82 T HN 0.484 nan 8.240 nan 0.000 0.479 83 K N 0.688 121.101 120.400 0.021 0.000 2.217 83 K HA 0.030 4.350 4.320 -0.000 0.000 0.202 83 K C 2.235 178.838 176.600 0.006 0.000 1.051 83 K CA 0.781 57.078 56.287 0.017 0.000 0.952 83 K CB -0.185 32.331 32.500 0.026 0.000 0.736 83 K HN 0.323 nan 8.250 nan 0.000 0.453 84 Q N 1.030 120.833 119.800 0.005 0.000 2.172 84 Q HA -0.045 4.295 4.340 -0.000 0.000 0.200 84 Q C 1.855 177.831 176.000 -0.040 0.000 0.964 84 Q CA 0.711 56.494 55.803 -0.033 0.000 0.855 84 Q CB -0.128 28.604 28.738 -0.011 0.000 0.918 84 Q HN 0.128 nan 8.270 nan 0.000 0.444 85 L N 0.360 121.575 121.223 -0.013 0.000 2.093 85 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 85 L C 1.334 178.198 176.870 -0.010 0.000 1.085 85 L CA 1.724 56.561 54.840 -0.006 0.000 0.755 85 L CB -0.543 41.521 42.059 0.008 0.000 0.904 85 L HN 0.208 nan 8.230 nan 0.000 0.435 86 N N -1.097 117.593 118.700 -0.016 0.000 2.409 86 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 86 N C 1.830 177.295 175.510 -0.076 0.000 1.032 86 N CA 1.106 54.132 53.050 -0.041 0.000 0.898 86 N CB -0.069 38.400 38.487 -0.031 0.000 0.971 86 N HN 0.235 nan 8.380 nan 0.000 0.441 87 V N 1.456 121.341 119.914 -0.049 0.000 2.307 87 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 87 V C 2.158 178.251 176.094 -0.003 0.000 1.045 87 V CA 1.138 63.420 62.300 -0.029 0.000 1.024 87 V CB -0.287 31.558 31.823 0.036 0.000 0.651 87 V HN 0.213 nan 8.190 nan 0.000 0.449 88 I N -0.203 120.359 120.570 -0.012 0.000 2.361 88 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 88 I C 2.514 178.603 176.117 -0.047 0.000 1.133 88 I CA 1.586 62.888 61.300 0.003 0.000 1.413 88 I CB -0.413 37.576 38.000 -0.019 0.000 1.073 88 I HN 0.280 nan 8.210 nan 0.000 0.424 89 K N 1.298 121.639 120.400 -0.099 0.000 2.026 89 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 89 K C 2.338 178.733 176.600 -0.342 0.000 1.048 89 K CA 1.397 57.560 56.287 -0.208 0.000 0.929 89 K CB -0.024 32.381 32.500 -0.159 0.000 0.713 89 K HN 0.134 nan 8.250 nan 0.000 0.439 90 R N -0.635 119.678 120.500 -0.313 0.000 2.094 90 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 90 R C 2.257 178.289 176.300 -0.447 0.000 1.137 90 R CA 2.150 57.985 56.100 -0.441 0.000 0.943 90 R CB -0.431 29.508 30.300 -0.602 0.000 0.850 90 R HN 0.247 nan 8.270 nan 0.000 0.433 91 F N -0.241 119.584 119.950 -0.208 0.000 2.456 91 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 91 F C 2.044 177.776 175.800 -0.113 0.000 1.104 91 F CA -0.021 57.877 58.000 -0.170 0.000 1.435 91 F CB 0.003 38.892 39.000 -0.185 0.000 1.078 91 F HN -0.013 nan 8.300 nan 0.000 0.546 92 L N -0.093 121.143 121.223 0.022 0.000 2.046 92 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 92 L C 2.189 179.146 176.870 0.146 0.000 1.077 92 L CA 2.106 56.976 54.840 0.050 0.000 0.747 92 L CB -0.931 41.134 42.059 0.011 0.000 0.896 92 L HN 0.224 nan 8.230 nan 0.000 0.432 93 H N -1.959 117.104 119.070 -0.011 0.000 2.529 93 H HA -0.006 4.550 4.556 -0.000 0.000 0.277 93 H C 1.740 177.058 175.328 -0.016 0.000 0.999 93 H CA 0.493 56.528 56.048 -0.021 0.000 1.256 93 H CB 0.414 30.153 29.762 -0.038 0.000 1.402 93 H HN 0.461 nan 8.280 nan 0.000 0.566 94 E N 1.190 121.449 120.200 0.097 0.000 2.152 94 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 94 E C 0.871 177.514 176.600 0.072 0.000 0.983 94 E CA 0.078 56.518 56.400 0.066 0.000 0.818 94 E CB 0.265 30.003 29.700 0.065 0.000 0.758 94 E HN 0.313 nan 8.360 nan 0.000 0.467 95 A N 0.720 123.587 122.820 0.079 0.000 2.371 95 A HA 0.167 4.487 4.320 -0.000 0.000 0.257 95 A C 1.009 178.609 177.584 0.027 0.000 1.089 95 A CA 0.029 52.094 52.037 0.047 0.000 0.794 95 A CB 0.661 19.680 19.000 0.031 0.000 1.029 95 A HN 0.182 nan 8.150 nan 0.000 0.488 96 S N 0.272 115.978 115.700 0.010 0.000 2.506 96 S HA 0.214 4.684 4.470 -0.000 0.000 0.219 96 S C 0.106 174.697 174.600 -0.015 0.000 1.031 96 S CA 0.038 58.238 58.200 0.000 0.000 0.911 96 S CB 0.042 63.243 63.200 0.002 0.000 0.812 96 S HN 0.680 nan 8.310 nan 0.000 0.497 97 E N 1.305 121.485 120.200 -0.032 0.000 2.187 97 E HA 0.590 4.940 4.350 -0.000 0.000 0.268 97 E C -0.990 175.552 176.600 -0.097 0.000 0.896 97 E CA -0.484 55.878 56.400 -0.063 0.000 0.766 97 E CB 1.639 31.293 29.700 -0.077 0.000 1.142 97 E HN 0.227 nan 8.360 nan 0.000 0.408 98 I N 2.411 122.921 120.570 -0.100 0.000 2.474 98 I HA 0.450 4.620 4.170 -0.000 0.000 0.294 98 I C -0.645 175.370 176.117 -0.171 0.000 1.005 98 I CA -1.067 60.162 61.300 -0.119 0.000 1.113 98 I CB 1.542 39.509 38.000 -0.054 0.000 1.289 98 I HN 0.237 nan 8.210 nan 0.000 0.436 99 V N 4.891 124.653 119.914 -0.253 0.000 2.407 99 V HA 0.208 4.328 4.120 -0.000 0.000 0.291 99 V C -0.066 175.987 176.094 -0.069 0.000 1.018 99 V CA -0.643 61.503 62.300 -0.256 0.000 0.842 99 V CB 1.572 33.005 31.823 -0.650 0.000 0.996 99 V HN 0.636 nan 8.190 nan 0.000 0.426 100 H N 4.987 123.987 119.070 -0.118 0.000 2.944 100 H HA 0.504 5.060 4.556 -0.000 0.000 0.278 100 H C 0.152 175.438 175.328 -0.072 0.000 1.083 100 H CA -0.113 55.883 56.048 -0.088 0.000 1.479 100 H CB 1.314 30.999 29.762 -0.128 0.000 1.486 100 H HN 0.706 nan 8.280 nan 0.000 0.493 101 A N 5.153 128.131 122.820 0.264 0.000 3.113 101 A HA 0.416 4.736 4.320 -0.000 0.000 0.307 101 A C 0.916 178.603 177.584 0.171 0.000 1.025 101 A CA -0.094 52.068 52.037 0.209 0.000 1.012 101 A CB -0.282 18.843 19.000 0.209 0.000 1.085 101 A HN 0.759 nan 8.150 nan 0.000 0.519 102 G N -0.190 108.780 108.800 0.283 0.000 2.507 102 G HA2 0.434 4.394 3.960 -0.000 0.000 0.271 102 G HA3 0.434 4.394 3.960 -0.000 0.000 0.271 102 G C -0.553 174.376 174.900 0.048 0.000 1.189 102 G CA -0.375 44.822 45.100 0.162 0.000 0.859 102 G HN 0.372 nan 8.290 nan 0.000 0.542 103 D N 0.555 120.951 120.400 -0.007 0.000 2.443 103 D HA 0.121 4.761 4.640 -0.000 0.000 0.234 103 D C -1.853 174.374 176.300 -0.122 0.000 1.172 103 D CA -0.513 53.428 54.000 -0.097 0.000 0.878 103 D CB 0.856 41.593 40.800 -0.106 0.000 1.204 103 D HN 0.033 nan 8.370 nan 0.000 0.453 104 P HA 0.125 nan 4.420 nan 0.000 0.225 104 P C -1.080 176.160 177.300 -0.100 0.000 1.768 104 P CA -0.081 62.934 63.100 -0.141 0.000 0.943 104 P CB -0.046 31.574 31.700 -0.134 0.000 1.936 105 D N -2.409 117.951 120.400 -0.068 0.000 2.652 105 D HA 0.241 4.881 4.640 -0.000 0.000 0.285 105 D C 1.127 177.436 176.300 0.015 0.000 1.173 105 D CA -1.097 52.893 54.000 -0.017 0.000 0.981 105 D CB 0.812 41.608 40.800 -0.007 0.000 1.440 105 D HN -0.217 nan 8.370 nan 0.000 0.485 106 R N -0.219 120.300 120.500 0.032 0.000 2.132 106 R HA -0.249 4.091 4.340 -0.000 0.000 0.233 106 R C 1.669 177.999 176.300 0.051 0.000 1.125 106 R CA 2.329 58.453 56.100 0.039 0.000 0.914 106 R CB -0.350 29.974 30.300 0.040 0.000 0.845 106 R HN 0.547 nan 8.270 nan 0.000 0.431 107 E N -0.759 119.478 120.200 0.063 0.000 2.118 107 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 107 E C 1.750 178.361 176.600 0.018 0.000 0.992 107 E CA 1.634 58.078 56.400 0.072 0.000 0.804 107 E CB -0.538 29.220 29.700 0.097 0.000 0.741 107 E HN 0.567 nan 8.360 nan 0.000 0.458 108 G N -0.046 108.767 108.800 0.022 0.000 2.418 108 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.217 108 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.217 108 G C 1.610 176.575 174.900 0.109 0.000 1.158 108 G CA 0.968 46.086 45.100 0.029 0.000 0.771 108 G HN 0.275 nan 8.290 nan 0.000 0.545 109 Q N -0.201 119.647 119.800 0.079 0.000 2.020 109 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 109 Q C 2.401 178.528 176.000 0.212 0.000 0.982 109 Q CA 1.223 57.103 55.803 0.128 0.000 0.838 109 Q CB -0.647 28.113 28.738 0.036 0.000 0.899 109 Q HN 0.351 nan 8.270 nan 0.000 0.423 110 L N 0.138 121.428 121.223 0.111 0.000 2.012 110 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 110 L C 2.074 178.991 176.870 0.078 0.000 1.073 110 L CA 2.106 57.009 54.840 0.105 0.000 0.748 110 L CB -0.957 41.178 42.059 0.127 0.000 0.891 110 L HN 0.544 nan 8.230 nan 0.000 0.431 111 L N -3.690 117.519 121.223 -0.023 0.000 2.291 111 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 111 L C 1.983 178.793 176.870 -0.100 0.000 1.120 111 L CA 1.186 55.946 54.840 -0.133 0.000 0.799 111 L CB -1.221 40.538 42.059 -0.501 0.000 0.925 111 L HN 0.000 nan 8.230 nan 0.000 0.446 112 V N -0.208 119.607 119.914 -0.165 0.000 2.599 112 V HA -0.076 4.044 4.120 -0.000 0.000 0.245 112 V C 2.162 178.135 176.094 -0.202 0.000 1.046 112 V CA 1.425 63.521 62.300 -0.341 0.000 1.065 112 V CB -0.513 30.701 31.823 -1.014 0.000 0.703 112 V HN 0.336 nan 8.190 nan 0.000 0.464 113 D N 0.588 120.950 120.400 -0.063 0.000 2.144 113 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 113 D C 2.257 178.585 176.300 0.047 0.000 0.978 113 D CA 1.507 55.531 54.000 0.041 0.000 0.833 113 D CB -0.088 40.781 40.800 0.115 0.000 0.961 113 D HN 0.753 nan 8.370 nan 0.000 0.470 114 E N 0.386 120.618 120.200 0.054 0.000 2.150 114 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 114 E C 1.979 178.636 176.600 0.095 0.000 0.985 114 E CA 0.786 57.233 56.400 0.078 0.000 0.814 114 E CB -0.220 29.531 29.700 0.085 0.000 0.752 114 E HN 0.057 nan 8.360 nan 0.000 0.466 115 V N 1.796 121.743 119.914 0.056 0.000 2.427 115 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 115 V C 2.474 178.630 176.094 0.102 0.000 1.051 115 V CA 1.430 63.774 62.300 0.073 0.000 1.048 115 V CB -0.486 31.345 31.823 0.014 0.000 0.666 115 V HN 0.277 nan 8.190 nan 0.000 0.456 116 L N -0.121 121.136 121.223 0.056 0.000 2.083 116 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 116 L C 2.326 179.244 176.870 0.081 0.000 1.083 116 L CA 1.461 56.336 54.840 0.058 0.000 0.752 116 L CB -0.784 41.294 42.059 0.033 0.000 0.899 116 L HN 0.352 nan 8.230 nan 0.000 0.433 117 D N -0.841 119.616 120.400 0.095 0.000 2.103 117 D HA -0.203 4.437 4.640 -0.000 0.000 0.199 117 D C 1.968 178.333 176.300 0.109 0.000 0.978 117 D CA 1.166 55.221 54.000 0.091 0.000 0.829 117 D CB -0.343 40.511 40.800 0.090 0.000 0.981 117 D HN 0.255 nan 8.370 nan 0.000 0.464 118 Y N 1.711 122.027 120.300 0.027 0.000 2.070 118 Y HA -0.142 4.408 4.550 -0.000 0.000 0.280 118 Y C 2.053 177.970 175.900 0.029 0.000 1.148 118 Y CA 1.434 59.550 58.100 0.027 0.000 1.125 118 Y CB -0.390 38.085 38.460 0.025 0.000 0.975 118 Y HN -0.126 nan 8.280 nan 0.000 0.492 119 L N 0.927 122.225 121.223 0.124 0.000 2.675 119 L HA -0.088 4.252 4.340 -0.000 0.000 0.238 119 L C 0.432 177.334 176.870 0.053 0.000 1.155 119 L CA 0.599 55.473 54.840 0.057 0.000 0.881 119 L CB -0.832 41.289 42.059 0.103 0.000 1.008 119 L HN 0.358 nan 8.230 nan 0.000 0.443 120 Q N 0.736 120.545 119.800 0.015 0.000 2.439 120 Q HA -0.213 4.127 4.340 -0.000 0.000 0.325 120 Q C -0.014 176.004 176.000 0.031 0.000 1.372 120 Q CA 0.196 56.002 55.803 0.007 0.000 0.909 120 Q CB -1.166 27.551 28.738 -0.034 0.000 1.167 120 Q HN 0.327 nan 8.270 nan 0.000 0.418 121 L N 0.481 121.739 121.223 0.057 0.000 2.559 121 L HA 0.168 4.508 4.340 -0.000 0.000 0.274 121 L C 0.508 177.380 176.870 0.004 0.000 1.205 121 L CA 1.187 56.061 54.840 0.056 0.000 0.907 121 L CB 0.426 42.523 42.059 0.063 0.000 1.153 121 L HN 0.326 nan 8.230 nan 0.000 0.490 122 A N 7.017 129.811 122.820 -0.044 0.000 2.583 122 A HA 0.102 4.422 4.320 -0.000 0.000 0.249 122 A C -1.364 176.208 177.584 -0.020 0.000 1.035 122 A CA -0.287 51.715 52.037 -0.058 0.000 0.777 122 A CB -0.635 18.312 19.000 -0.089 0.000 0.942 122 A HN 0.838 nan 8.150 nan 0.000 0.516 123 P HA -0.173 nan 4.420 nan 0.000 0.218 123 P C 1.205 178.511 177.300 0.010 0.000 1.148 123 P CA 1.389 64.493 63.100 0.007 0.000 0.822 123 P CB 0.218 31.919 31.700 0.003 0.000 0.784 124 E N -0.320 119.879 120.200 -0.002 0.000 2.418 124 E HA -0.134 4.216 4.350 -0.000 0.000 0.197 124 E C 1.397 177.997 176.600 0.000 0.000 1.026 124 E CA 0.719 57.119 56.400 -0.000 0.000 0.862 124 E CB -0.019 29.677 29.700 -0.007 0.000 0.799 124 E HN 0.251 nan 8.360 nan 0.000 0.518 125 K N -0.362 120.038 120.400 -0.000 0.000 2.323 125 K HA 0.043 4.363 4.320 -0.000 0.000 0.197 125 K C 2.062 178.667 176.600 0.009 0.000 1.043 125 K CA -0.098 56.190 56.287 0.002 0.000 0.997 125 K CB 0.250 32.752 32.500 0.004 0.000 0.807 125 K HN -0.058 nan 8.250 nan 0.000 0.497 126 R N 1.674 122.185 120.500 0.018 0.000 2.061 126 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 126 R C 2.180 178.495 176.300 0.025 0.000 1.140 126 R CA 1.625 57.743 56.100 0.029 0.000 0.940 126 R CB 0.049 30.377 30.300 0.047 0.000 0.839 126 R HN 0.068 nan 8.270 nan 0.000 0.429 127 Q N 0.131 119.949 119.800 0.030 0.000 2.515 127 Q HA -0.101 4.239 4.340 -0.000 0.000 0.212 127 Q C 0.572 176.573 176.000 0.002 0.000 0.970 127 Q CA 1.001 56.813 55.803 0.015 0.000 0.941 127 Q CB 0.416 29.178 28.738 0.040 0.000 0.998 127 Q HN 0.390 nan 8.270 nan 0.000 0.518 128 Q N 0.304 120.104 119.800 0.001 0.000 2.282 128 Q HA 0.216 4.556 4.340 -0.000 0.000 0.206 128 Q C -0.102 175.890 176.000 -0.013 0.000 0.878 128 Q CA -0.136 55.663 55.803 -0.006 0.000 0.944 128 Q CB 0.925 29.658 28.738 -0.008 0.000 1.100 128 Q HN 0.180 nan 8.270 nan 0.000 0.509 129 V N 2.457 122.365 119.914 -0.009 0.000 2.585 129 V HA -0.040 4.080 4.120 -0.000 0.000 0.296 129 V C 0.625 176.709 176.094 -0.017 0.000 1.035 129 V CA 0.516 62.808 62.300 -0.014 0.000 1.084 129 V CB 0.725 32.553 31.823 0.008 0.000 0.953 129 V HN 0.206 nan 8.190 nan 0.000 0.483 130 Q N 2.947 122.723 119.800 -0.041 0.000 2.241 130 Q HA 0.678 5.018 4.340 -0.000 0.000 0.262 130 Q C -0.563 175.391 176.000 -0.077 0.000 1.014 130 Q CA -1.053 54.723 55.803 -0.045 0.000 0.885 130 Q CB 2.149 30.855 28.738 -0.052 0.000 1.311 130 Q HN 0.560 nan 8.270 nan 0.000 0.461 131 R N 0.177 120.609 120.500 -0.113 0.000 2.480 131 R HA 0.393 4.733 4.340 -0.000 0.000 0.306 131 R C -1.806 174.394 176.300 -0.168 0.000 0.958 131 R CA -0.275 55.668 56.100 -0.261 0.000 0.861 131 R CB 1.300 31.203 30.300 -0.661 0.000 1.171 131 R HN 0.692 nan 8.270 nan 0.000 0.445 132 C N 6.832 126.064 119.300 -0.113 0.000 2.281 132 C HA 0.585 5.045 4.460 -0.000 0.000 0.325 132 C C -0.914 174.035 174.990 -0.069 0.000 1.282 132 C CA -0.750 58.258 59.018 -0.016 0.000 1.640 132 C CB -0.495 27.321 27.740 0.126 0.000 2.288 132 C HN 0.792 nan 8.230 nan 0.000 0.507 133 L N 7.735 128.923 121.223 -0.058 0.000 2.294 133 L HA 0.574 4.914 4.340 -0.000 0.000 0.283 133 L C -0.429 176.422 176.870 -0.033 0.000 1.015 133 L CA -0.151 54.647 54.840 -0.070 0.000 0.831 133 L CB 0.905 42.931 42.059 -0.055 0.000 1.217 133 L HN 0.561 nan 8.230 nan 0.000 0.420 134 I N 3.563 124.105 120.570 -0.046 0.000 2.448 134 I HA 0.218 4.388 4.170 -0.000 0.000 0.281 134 I C 0.041 176.118 176.117 -0.067 0.000 1.027 134 I CA -0.321 60.962 61.300 -0.027 0.000 1.111 134 I CB 1.545 39.539 38.000 -0.010 0.000 1.236 134 I HN 0.611 nan 8.210 nan 0.000 0.452 135 N N 2.660 121.335 118.700 -0.043 0.000 2.184 135 N HA 0.112 4.852 4.740 -0.000 0.000 0.206 135 N C -0.461 175.082 175.510 0.055 0.000 1.151 135 N CA -0.140 52.868 53.050 -0.069 0.000 0.878 135 N CB 0.472 38.911 38.487 -0.079 0.000 1.014 135 N HN 0.423 nan 8.380 nan 0.000 0.512 136 D N 0.085 120.551 120.400 0.110 0.000 2.763 136 D HA 0.237 4.877 4.640 -0.000 0.000 0.235 136 D C 0.136 176.558 176.300 0.203 0.000 1.334 136 D CA -0.496 53.646 54.000 0.237 0.000 0.950 136 D CB 1.278 42.211 40.800 0.221 0.000 1.433 136 D HN -0.045 nan 8.370 nan 0.000 0.580 137 L N 2.018 123.389 121.223 0.247 0.000 2.558 137 L HA 0.161 4.501 4.340 -0.000 0.000 0.225 137 L C 0.476 177.429 176.870 0.138 0.000 1.128 137 L CA -0.125 54.813 54.840 0.162 0.000 0.868 137 L CB -0.330 41.823 42.059 0.157 0.000 1.006 137 L HN 0.270 nan 8.230 nan 0.000 0.454 138 N N 1.203 120.013 118.700 0.183 0.000 2.359 138 N HA -0.050 4.690 4.740 -0.000 0.000 0.261 138 N C -1.598 173.954 175.510 0.071 0.000 1.267 138 N CA -0.726 52.383 53.050 0.098 0.000 0.864 138 N CB 0.666 39.206 38.487 0.087 0.000 1.063 138 N HN -0.120 nan 8.380 nan 0.000 0.474 139 P HA -0.182 nan 4.420 nan 0.000 0.219 139 P C 0.758 178.076 177.300 0.030 0.000 1.144 139 P CA 1.316 64.430 63.100 0.024 0.000 0.806 139 P CB 0.352 32.061 31.700 0.014 0.000 0.771 140 Q N -1.136 118.689 119.800 0.042 0.000 2.083 140 Q HA 0.008 4.348 4.340 -0.000 0.000 0.198 140 Q C 2.248 178.281 176.000 0.055 0.000 0.969 140 Q CA 1.700 57.530 55.803 0.046 0.000 0.838 140 Q CB -0.953 27.814 28.738 0.050 0.000 0.900 140 Q HN 0.170 nan 8.270 nan 0.000 0.436 141 A N -0.295 122.571 122.820 0.076 0.000 1.970 141 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 141 A C 2.199 179.818 177.584 0.059 0.000 1.170 141 A CA 0.920 53.006 52.037 0.081 0.000 0.645 141 A CB -0.461 18.611 19.000 0.119 0.000 0.816 141 A HN 0.208 nan 8.150 nan 0.000 0.447 142 V N 0.029 119.972 119.914 0.048 0.000 2.343 142 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 142 V C 2.460 178.560 176.094 0.011 0.000 1.051 142 V CA 2.276 64.588 62.300 0.020 0.000 1.036 142 V CB -0.686 31.137 31.823 -0.001 0.000 0.654 142 V HN 0.718 nan 8.190 nan 0.000 0.451 143 E N 0.096 120.306 120.200 0.016 0.000 2.077 143 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 143 E C 2.468 179.087 176.600 0.032 0.000 0.989 143 E CA 1.311 57.721 56.400 0.018 0.000 0.800 143 E CB -0.073 29.640 29.700 0.021 0.000 0.746 143 E HN 0.469 nan 8.360 nan 0.000 0.452 144 R N -0.019 120.504 120.500 0.038 0.000 2.092 144 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 144 R C 2.157 178.483 176.300 0.044 0.000 1.119 144 R CA 1.192 57.316 56.100 0.041 0.000 0.970 144 R CB -0.196 30.131 30.300 0.045 0.000 0.864 144 R HN 0.150 nan 8.270 nan 0.000 0.440 145 A N 0.833 123.679 122.820 0.043 0.000 1.933 145 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 145 A C 2.075 179.696 177.584 0.062 0.000 1.175 145 A CA 1.259 53.323 52.037 0.044 0.000 0.628 145 A CB -0.374 18.647 19.000 0.035 0.000 0.814 145 A HN 0.362 nan 8.150 nan 0.000 0.444 146 I N -0.295 120.316 120.570 0.069 0.000 2.353 146 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 146 I C 1.420 177.598 176.117 0.103 0.000 1.119 146 I CA 1.111 62.481 61.300 0.116 0.000 1.417 146 I CB -0.268 37.788 38.000 0.093 0.000 1.078 146 I HN 0.168 nan 8.210 nan 0.000 0.421 147 D N 0.835 121.277 120.400 0.070 0.000 2.269 147 D HA -0.047 4.593 4.640 -0.000 0.000 0.208 147 D C 1.162 177.493 176.300 0.051 0.000 0.963 147 D CA 0.899 54.934 54.000 0.058 0.000 0.864 147 D CB -0.026 40.802 40.800 0.046 0.000 0.936 147 D HN 0.204 nan 8.370 nan 0.000 0.505 148 R N 0.756 121.286 120.500 0.051 0.000 3.760 148 R HA 0.280 4.620 4.340 -0.000 0.000 0.310 148 R C -0.347 175.981 176.300 0.047 0.000 1.414 148 R CA -0.280 55.847 56.100 0.045 0.000 1.410 148 R CB 0.202 30.527 30.300 0.042 0.000 1.459 148 R HN 0.073 nan 8.270 nan 0.000 0.663 149 L N 1.823 123.073 121.223 0.045 0.000 2.361 149 L HA 0.232 4.572 4.340 -0.000 0.000 0.278 149 L C 0.731 177.625 176.870 0.041 0.000 1.113 149 L CA -0.139 54.722 54.840 0.034 0.000 0.849 149 L CB 0.234 42.306 42.059 0.021 0.000 1.155 149 L HN 0.049 nan 8.230 nan 0.000 0.452 150 R N 1.824 122.361 120.500 0.062 0.000 2.549 150 R HA 0.325 4.665 4.340 -0.000 0.000 0.267 150 R C -0.222 176.147 176.300 0.115 0.000 1.045 150 R CA -0.251 55.922 56.100 0.122 0.000 1.115 150 R CB 1.514 31.974 30.300 0.265 0.000 1.121 150 R HN 0.553 nan 8.270 nan 0.000 0.543 151 S N 0.992 116.767 115.700 0.124 0.000 2.523 151 S HA 0.064 4.534 4.470 -0.000 0.000 0.275 151 S C 0.817 175.524 174.600 0.178 0.000 1.281 151 S CA -0.439 57.815 58.200 0.090 0.000 1.050 151 S CB 0.542 63.766 63.200 0.041 0.000 0.937 151 S HN 0.671 nan 8.310 nan 0.000 0.492 152 N N 3.096 121.855 118.700 0.099 0.000 2.364 152 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 152 N C 1.931 177.528 175.510 0.145 0.000 1.022 152 N CA 1.544 54.665 53.050 0.118 0.000 0.883 152 N CB -0.185 38.306 38.487 0.006 0.000 0.965 152 N HN 0.657 nan 8.380 nan 0.000 0.438 153 S N -0.233 115.491 115.700 0.039 0.000 2.420 153 S HA -0.166 4.304 4.470 -0.000 0.000 0.237 153 S C 1.504 176.074 174.600 -0.050 0.000 1.023 153 S CA 1.100 59.263 58.200 -0.063 0.000 0.991 153 S CB -0.442 62.704 63.200 -0.091 0.000 0.792 153 S HN 0.432 nan 8.310 nan 0.000 0.488 154 E N -0.227 119.968 120.200 -0.008 0.000 2.427 154 E HA 0.081 4.431 4.350 -0.000 0.000 0.196 154 E C 0.387 176.769 176.600 -0.362 0.000 1.028 154 E CA 0.538 56.818 56.400 -0.201 0.000 0.864 154 E CB -0.121 29.401 29.700 -0.297 0.000 0.813 154 E HN 0.714 nan 8.360 nan 0.000 0.514 155 F N -0.832 119.058 119.950 -0.099 0.000 2.664 155 F HA 0.065 4.592 4.527 -0.000 0.000 0.303 155 F C 1.681 177.425 175.800 -0.093 0.000 1.092 155 F CA -0.183 57.755 58.000 -0.104 0.000 1.305 155 F CB 0.284 39.199 39.000 -0.142 0.000 1.054 155 F HN -0.147 nan 8.300 nan 0.000 0.565 156 V N 1.716 121.645 119.914 0.025 0.000 2.233 156 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 156 V C -0.103 175.961 176.094 -0.049 0.000 1.050 156 V CA 2.191 64.484 62.300 -0.011 0.000 1.010 156 V CB -1.543 30.248 31.823 -0.054 0.000 0.637 156 V HN 0.168 nan 8.190 nan 0.000 0.444 157 P HA -0.200 nan 4.420 nan 0.000 0.215 157 P C 1.933 179.132 177.300 -0.168 0.000 1.163 157 P CA 1.485 64.448 63.100 -0.228 0.000 0.894 157 P CB -0.176 31.434 31.700 -0.149 0.000 0.791 158 L N -0.489 120.685 121.223 -0.082 0.000 2.042 158 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 158 L C 2.471 179.330 176.870 -0.019 0.000 1.076 158 L CA 1.844 56.664 54.840 -0.033 0.000 0.749 158 L CB -1.508 40.573 42.059 0.037 0.000 0.893 158 L HN 0.060 nan 8.230 nan 0.000 0.432 159 C N -1.698 117.603 119.300 0.002 0.000 2.422 159 C HA -0.092 4.368 4.460 -0.000 0.000 0.279 159 C C 2.661 177.634 174.990 -0.028 0.000 1.305 159 C CA 0.990 60.014 59.018 0.011 0.000 1.757 159 C CB -0.888 26.876 27.740 0.039 0.000 1.962 159 C HN 0.485 nan 8.230 nan 0.000 0.499 160 V N 1.626 121.499 119.914 -0.068 0.000 2.427 160 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 160 V C 2.821 178.870 176.094 -0.075 0.000 1.051 160 V CA 2.391 64.647 62.300 -0.074 0.000 1.048 160 V CB -0.815 30.939 31.823 -0.115 0.000 0.666 160 V HN 0.816 nan 8.190 nan 0.000 0.456 161 S N 0.969 116.597 115.700 -0.119 0.000 2.383 161 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 161 S C 2.083 176.592 174.600 -0.152 0.000 1.026 161 S CA 1.362 59.465 58.200 -0.162 0.000 0.981 161 S CB -0.408 62.712 63.200 -0.133 0.000 0.818 161 S HN 0.544 nan 8.310 nan 0.000 0.472 162 A N 1.758 124.533 122.820 -0.076 0.000 1.898 162 A HA 0.113 4.432 4.320 -0.000 0.000 0.216 162 A C 2.236 179.787 177.584 -0.055 0.000 1.181 162 A CA 1.513 53.528 52.037 -0.036 0.000 0.620 162 A CB -0.966 18.043 19.000 0.015 0.000 0.819 162 A HN 0.524 nan 8.150 nan 0.000 0.442 163 L N -0.225 120.960 121.223 -0.063 0.000 2.046 163 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 163 L C 2.715 179.511 176.870 -0.122 0.000 1.077 163 L CA 2.134 56.920 54.840 -0.090 0.000 0.747 163 L CB -0.809 41.195 42.059 -0.092 0.000 0.896 163 L HN 0.366 nan 8.230 nan 0.000 0.432 164 A N -0.876 121.877 122.820 -0.112 0.000 1.898 164 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 164 A C 2.486 179.847 177.584 -0.372 0.000 1.181 164 A CA 1.387 53.277 52.037 -0.245 0.000 0.620 164 A CB -0.593 18.076 19.000 -0.552 0.000 0.819 164 A HN 0.381 nan 8.150 nan 0.000 0.442 165 R N 0.089 120.385 120.500 -0.339 0.000 2.083 165 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 165 R C 2.269 178.592 176.300 0.038 0.000 1.137 165 R CA 1.774 57.790 56.100 -0.141 0.000 0.951 165 R CB -0.787 29.500 30.300 -0.021 0.000 0.851 165 R HN 0.447 nan 8.270 nan 0.000 0.434 166 A N 0.865 123.679 122.820 -0.010 0.000 1.930 166 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 166 A C 2.304 179.893 177.584 0.008 0.000 1.175 166 A CA 1.274 53.326 52.037 0.025 0.000 0.627 166 A CB -0.337 18.641 19.000 -0.037 0.000 0.815 166 A HN 0.336 nan 8.150 nan 0.000 0.443 167 R N -0.656 119.735 120.500 -0.182 0.000 2.073 167 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 167 R C 2.499 178.876 176.300 0.128 0.000 1.120 167 R CA 1.073 56.957 56.100 -0.360 0.000 0.967 167 R CB -0.417 29.338 30.300 -0.907 0.000 0.862 167 R HN 0.481 nan 8.270 nan 0.000 0.436 168 A N 1.362 124.251 122.820 0.116 0.000 1.933 168 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 168 A C 1.566 179.469 177.584 0.532 0.000 1.175 168 A CA 1.657 53.817 52.037 0.205 0.000 0.628 168 A CB -0.331 18.512 19.000 -0.261 0.000 0.814 168 A HN 0.161 nan 8.150 nan 0.000 0.444 169 D N -1.775 118.964 120.400 0.566 0.000 2.178 169 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 169 D C 1.586 178.170 176.300 0.473 0.000 0.974 169 D CA 0.953 55.298 54.000 0.576 0.000 0.841 169 D CB -0.261 40.799 40.800 0.433 0.000 0.953 169 D HN 0.749 nan 8.370 nan 0.000 0.478 170 W N 1.441 122.905 121.300 0.274 0.000 2.378 170 W HA -0.094 4.566 4.660 -0.000 0.000 0.313 170 W C 2.196 178.878 176.519 0.272 0.000 1.197 170 W CA 0.907 58.408 57.345 0.260 0.000 1.304 170 W CB -0.443 29.196 29.460 0.298 0.000 1.148 170 W HN -0.129 nan 8.180 nan 0.000 0.494 171 L N -0.450 121.223 121.223 0.751 0.000 1.997 171 L HA -0.326 4.014 4.340 -0.000 0.000 0.216 171 L C 2.457 179.462 176.870 0.225 0.000 1.074 171 L CA 2.156 57.303 54.840 0.510 0.000 0.763 171 L CB -1.360 41.006 42.059 0.511 0.000 0.890 171 L HN 0.161 nan 8.230 nan 0.000 0.434 172 Y N 0.274 120.692 120.300 0.196 0.000 2.130 172 Y HA -0.098 4.452 4.550 -0.000 0.000 0.287 172 Y C 2.335 178.241 175.900 0.010 0.000 1.124 172 Y CA 1.538 59.717 58.100 0.132 0.000 1.118 172 Y CB -0.775 37.842 38.460 0.262 0.000 0.994 172 Y HN 0.050 nan 8.280 nan 0.000 0.497 173 G N 1.009 109.848 108.800 0.064 0.000 2.459 173 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 173 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 173 G C 1.581 176.321 174.900 -0.267 0.000 1.183 173 G CA 1.280 46.322 45.100 -0.097 0.000 0.776 173 G HN 0.385 nan 8.290 nan 0.000 0.552 174 I N 1.590 121.905 120.570 -0.425 0.000 2.226 174 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 174 I C 2.400 178.180 176.117 -0.561 0.000 1.100 174 I CA 0.950 61.882 61.300 -0.615 0.000 1.374 174 I CB -1.043 36.270 38.000 -1.146 0.000 1.057 174 I HN 0.168 nan 8.210 nan 0.000 0.413 175 N N 0.279 118.689 118.700 -0.482 0.000 2.135 175 N HA -0.103 4.636 4.740 -0.000 0.000 0.186 175 N C 1.848 177.153 175.510 -0.341 0.000 1.027 175 N CA 1.161 53.964 53.050 -0.412 0.000 0.849 175 N CB -0.098 38.197 38.487 -0.320 0.000 1.002 175 N HN 0.226 nan 8.380 nan 0.000 0.425 176 M N 0.836 120.241 119.600 -0.324 0.000 2.117 176 M HA -0.065 4.415 4.480 -0.000 0.000 0.262 176 M C 1.976 178.221 176.300 -0.091 0.000 1.065 176 M CA 1.189 56.364 55.300 -0.209 0.000 1.114 176 M CB -1.504 30.839 32.600 -0.428 0.000 1.361 176 M HN 0.063 nan 8.290 nan 0.000 0.408 177 T N 0.219 114.663 114.554 -0.184 0.000 2.720 177 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 177 T C 2.032 176.637 174.700 -0.159 0.000 1.037 177 T CA 1.309 63.343 62.100 -0.109 0.000 1.144 177 T CB -0.181 68.615 68.868 -0.120 0.000 0.864 177 T HN 0.366 nan 8.240 nan 0.000 0.444 178 R N 0.634 120.876 120.500 -0.431 0.000 2.066 178 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 178 R C 2.851 179.024 176.300 -0.212 0.000 1.131 178 R CA 1.204 56.965 56.100 -0.566 0.000 0.955 178 R CB -0.551 29.247 30.300 -0.838 0.000 0.851 178 R HN 0.366 nan 8.270 nan 0.000 0.432 179 A N 0.661 123.345 122.820 -0.226 0.000 1.852 179 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 179 A C 1.982 179.395 177.584 -0.284 0.000 1.215 179 A CA 1.660 53.538 52.037 -0.265 0.000 0.641 179 A CB -1.135 17.663 19.000 -0.338 0.000 0.838 179 A HN 0.384 nan 8.150 nan 0.000 0.450 180 Y N 0.489 120.731 120.300 -0.096 0.000 2.293 180 Y HA -0.128 4.422 4.550 -0.000 0.000 0.291 180 Y C 2.984 178.793 175.900 -0.151 0.000 1.137 180 Y CA 1.609 59.645 58.100 -0.105 0.000 1.202 180 Y CB -0.887 37.524 38.460 -0.082 0.000 0.990 180 Y HN 0.302 nan 8.280 nan 0.000 0.537 181 T N 0.399 115.005 114.554 0.087 0.000 2.708 181 T HA -0.184 4.165 4.350 -0.000 0.000 0.266 181 T C 1.976 176.713 174.700 0.062 0.000 1.037 181 T CA 1.668 63.849 62.100 0.134 0.000 1.146 181 T CB -0.453 68.630 68.868 0.360 0.000 0.865 181 T HN 0.251 nan 8.240 nan 0.000 0.435 182 I N 0.619 121.226 120.570 0.061 0.000 2.226 182 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 182 I C 2.263 178.358 176.117 -0.036 0.000 1.100 182 I CA 1.076 62.400 61.300 0.040 0.000 1.374 182 I CB -0.361 37.662 38.000 0.038 0.000 1.057 182 I HN 0.192 nan 8.210 nan 0.000 0.413 183 L N 0.288 121.445 121.223 -0.110 0.000 2.042 183 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 183 L C 2.645 179.407 176.870 -0.181 0.000 1.076 183 L CA 1.723 56.500 54.840 -0.104 0.000 0.749 183 L CB -1.184 40.820 42.059 -0.092 0.000 0.893 183 L HN 0.346 nan 8.230 nan 0.000 0.432 184 G N -0.671 107.870 108.800 -0.433 0.000 2.408 184 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 184 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 184 G C 1.742 176.608 174.900 -0.058 0.000 1.150 184 G CA 0.157 44.941 45.100 -0.526 0.000 0.776 184 G HN 0.172 nan 8.290 nan 0.000 0.542 185 R N 0.616 121.113 120.500 -0.005 0.000 2.075 185 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 185 R C 2.224 178.546 176.300 0.036 0.000 1.126 185 R CA 0.943 57.063 56.100 0.034 0.000 0.963 185 R CB -0.702 29.610 30.300 0.020 0.000 0.858 185 R HN 0.282 nan 8.270 nan 0.000 0.435 186 N N 1.116 119.833 118.700 0.029 0.000 2.348 186 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 186 N C 1.331 176.882 175.510 0.070 0.000 1.019 186 N CA 1.331 54.406 53.050 0.043 0.000 0.880 186 N CB -0.078 38.432 38.487 0.038 0.000 0.965 186 N HN 0.225 nan 8.380 nan 0.000 0.437 187 A N -0.567 122.313 122.820 0.100 0.000 2.275 187 A HA 0.476 4.796 4.320 -0.000 0.000 0.212 187 A C 1.366 179.034 177.584 0.140 0.000 1.201 187 A CA 0.627 52.751 52.037 0.145 0.000 0.843 187 A CB 0.006 19.160 19.000 0.256 0.000 0.873 187 A HN 0.277 nan 8.150 nan 0.000 0.492 188 G N -2.064 106.805 108.800 0.115 0.000 2.134 188 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.209 188 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.209 188 G C -0.156 174.828 174.900 0.139 0.000 0.993 188 G CA 0.108 45.269 45.100 0.102 0.000 0.669 188 G HN 0.678 nan 8.290 nan 0.000 0.519 189 Y N 1.137 121.445 120.300 0.013 0.000 2.350 189 Y HA 0.553 5.103 4.550 -0.000 0.000 0.340 189 Y C 1.338 177.233 175.900 -0.008 0.000 1.006 189 Y CA -0.007 58.099 58.100 0.009 0.000 1.166 189 Y CB 1.320 39.768 38.460 -0.021 0.000 1.168 189 Y HN 0.203 nan 8.280 nan 0.000 0.502 190 Q N 3.376 122.884 119.800 -0.486 0.000 2.389 190 Q HA 0.165 4.505 4.340 -0.000 0.000 0.204 190 Q C 0.836 176.560 176.000 -0.460 0.000 0.944 190 Q CA 0.497 56.080 55.803 -0.368 0.000 0.908 190 Q CB 0.198 28.784 28.738 -0.254 0.000 1.002 190 Q HN 0.975 nan 8.270 nan 0.000 0.493 191 G N -0.538 107.703 108.800 -0.932 0.000 2.543 191 G HA2 0.397 4.357 3.960 -0.000 0.000 0.290 191 G HA3 0.397 4.357 3.960 -0.000 0.000 0.290 191 G C -0.951 173.947 174.900 -0.005 0.000 1.310 191 G CA -0.589 44.231 45.100 -0.466 0.000 1.025 191 G HN 0.062 nan 8.290 nan 0.000 0.502 192 V N 0.326 120.318 119.914 0.129 0.000 2.465 192 V HA 0.256 4.376 4.120 -0.000 0.000 0.279 192 V C 0.149 176.480 176.094 0.395 0.000 1.045 192 V CA -0.272 62.162 62.300 0.222 0.000 0.938 192 V CB 1.246 33.155 31.823 0.143 0.000 0.986 192 V HN 0.443 nan 8.190 nan 0.000 0.467 193 L N 5.599 127.041 121.223 0.365 0.000 2.407 193 L HA 0.323 4.662 4.340 -0.000 0.000 0.261 193 L C 0.685 177.716 176.870 0.268 0.000 1.108 193 L CA -0.123 54.924 54.840 0.346 0.000 0.995 193 L CB 0.691 42.806 42.059 0.093 0.000 1.349 193 L HN 0.786 nan 8.230 nan 0.000 0.423 194 S N 1.432 117.324 115.700 0.320 0.000 2.576 194 S HA 0.623 5.093 4.470 -0.000 0.000 0.276 194 S C -0.119 174.554 174.600 0.122 0.000 1.339 194 S CA -0.706 57.609 58.200 0.192 0.000 1.039 194 S CB 1.992 65.296 63.200 0.173 0.000 0.902 194 S HN 0.177 nan 8.310 nan 0.000 0.516 195 V N 1.553 121.473 119.914 0.010 0.000 2.709 195 V HA 0.902 5.022 4.120 -0.000 0.000 0.308 195 V C 0.462 176.529 176.094 -0.046 0.000 1.062 195 V CA -0.128 62.131 62.300 -0.069 0.000 0.901 195 V CB 1.826 33.523 31.823 -0.209 0.000 1.003 195 V HN 1.319 nan 8.190 nan 0.000 0.425 196 G N 2.108 110.939 108.800 0.052 0.000 2.673 196 G HA2 0.453 4.413 3.960 -0.000 0.000 0.292 196 G HA3 0.453 4.413 3.960 -0.000 0.000 0.292 196 G C -0.024 175.001 174.900 0.208 0.000 1.450 196 G CA -0.555 44.650 45.100 0.176 0.000 0.837 196 G HN 0.616 nan 8.290 nan 0.000 0.505 197 R N -0.232 120.361 120.500 0.155 0.000 2.117 197 R HA -0.111 4.229 4.340 -0.000 0.000 0.243 197 R C 1.777 177.994 176.300 -0.137 0.000 1.143 197 R CA 2.422 58.409 56.100 -0.189 0.000 0.968 197 R CB -0.146 29.837 30.300 -0.527 0.000 0.863 197 R HN 0.339 nan 8.270 nan 0.000 0.444 198 V N 0.712 120.592 119.914 -0.057 0.000 2.581 198 V HA -0.154 3.966 4.120 -0.000 0.000 0.240 198 V C 2.321 178.403 176.094 -0.021 0.000 1.054 198 V CA 1.488 63.760 62.300 -0.047 0.000 1.076 198 V CB -0.125 31.684 31.823 -0.022 0.000 0.748 198 V HN 0.491 nan 8.190 nan 0.000 0.474 199 Q N 0.095 119.904 119.800 0.016 0.000 2.167 199 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 199 Q C 1.874 177.890 176.000 0.026 0.000 0.970 199 Q CA 2.211 58.033 55.803 0.031 0.000 0.855 199 Q CB -0.707 28.072 28.738 0.069 0.000 0.911 199 Q HN 0.530 nan 8.270 nan 0.000 0.438 200 T N 1.730 116.294 114.554 0.017 0.000 2.851 200 T HA 0.009 4.359 4.350 -0.000 0.000 0.262 200 T C -0.946 173.744 174.700 -0.018 0.000 1.043 200 T CA 0.985 63.081 62.100 -0.006 0.000 1.140 200 T CB -0.867 67.984 68.868 -0.027 0.000 0.872 200 T HN 0.313 nan 8.240 nan 0.000 0.446 201 P HA 0.048 nan 4.420 nan 0.000 0.221 201 P C 1.500 178.754 177.300 -0.077 0.000 1.150 201 P CA 0.397 63.470 63.100 -0.045 0.000 0.800 201 P CB -0.187 31.472 31.700 -0.068 0.000 0.787 202 V N -0.146 119.717 119.914 -0.084 0.000 2.358 202 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 202 V C 2.306 178.318 176.094 -0.137 0.000 1.047 202 V CA 1.513 63.734 62.300 -0.133 0.000 1.035 202 V CB -1.184 30.576 31.823 -0.105 0.000 0.658 202 V HN 0.080 nan 8.190 nan 0.000 0.452 203 L N 1.468 122.650 121.223 -0.067 0.000 2.131 203 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 203 L C 2.215 179.037 176.870 -0.080 0.000 1.092 203 L CA 2.288 57.091 54.840 -0.062 0.000 0.759 203 L CB -1.194 40.858 42.059 -0.011 0.000 0.903 203 L HN 0.242 nan 8.230 nan 0.000 0.435 204 G N -0.530 108.267 108.800 -0.005 0.000 2.421 204 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 204 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 204 G C 1.575 176.423 174.900 -0.087 0.000 1.143 204 G CA 0.803 45.947 45.100 0.074 0.000 0.784 204 G HN 0.424 nan 8.290 nan 0.000 0.541 205 L N 0.319 121.461 121.223 -0.134 0.000 1.997 205 L HA -0.184 4.156 4.340 -0.000 0.000 0.216 205 L C 2.996 179.838 176.870 -0.046 0.000 1.074 205 L CA 1.189 55.920 54.840 -0.182 0.000 0.763 205 L CB -0.639 41.150 42.059 -0.450 0.000 0.890 205 L HN 0.126 nan 8.230 nan 0.000 0.434 206 V N -1.167 118.674 119.914 -0.122 0.000 2.379 206 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 206 V C 2.382 178.430 176.094 -0.077 0.000 1.044 206 V CA 1.252 63.555 62.300 0.006 0.000 1.036 206 V CB -0.240 31.549 31.823 -0.057 0.000 0.664 206 V HN 0.194 nan 8.190 nan 0.000 0.453 207 V N 0.051 119.796 119.914 -0.281 0.000 2.255 207 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 207 V C 2.634 178.474 176.094 -0.423 0.000 1.051 207 V CA 2.234 64.242 62.300 -0.487 0.000 1.018 207 V CB -0.779 30.405 31.823 -1.064 0.000 0.641 207 V HN 0.435 nan 8.190 nan 0.000 0.445 208 R N -0.497 119.755 120.500 -0.413 0.000 2.096 208 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 208 R C 2.506 178.762 176.300 -0.073 0.000 1.127 208 R CA 1.652 57.635 56.100 -0.195 0.000 0.968 208 R CB -0.352 29.907 30.300 -0.067 0.000 0.861 208 R HN 0.334 nan 8.270 nan 0.000 0.440 209 R N 1.441 121.928 120.500 -0.020 0.000 2.080 209 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 209 R C 1.419 177.660 176.300 -0.099 0.000 1.137 209 R CA 2.109 58.179 56.100 -0.050 0.000 0.943 209 R CB -0.714 29.568 30.300 -0.029 0.000 0.846 209 R HN 0.102 nan 8.270 nan 0.000 0.431 210 D N 0.217 120.583 120.400 -0.056 0.000 2.123 210 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 210 D C 1.755 178.032 176.300 -0.039 0.000 0.992 210 D CA 1.633 55.617 54.000 -0.027 0.000 0.833 210 D CB -0.148 40.642 40.800 -0.016 0.000 0.954 210 D HN 0.489 nan 8.370 nan 0.000 0.455 211 E N 0.223 120.390 120.200 -0.055 0.000 2.152 211 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 211 E C 1.922 178.521 176.600 -0.003 0.000 0.983 211 E CA 0.313 56.703 56.400 -0.017 0.000 0.818 211 E CB 0.032 29.728 29.700 -0.007 0.000 0.758 211 E HN 0.341 nan 8.360 nan 0.000 0.467 212 E N 0.700 120.888 120.200 -0.019 0.000 2.130 212 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 212 E C 1.892 178.501 176.600 0.016 0.000 0.998 212 E CA 0.982 57.385 56.400 0.005 0.000 0.806 212 E CB 0.036 29.726 29.700 -0.017 0.000 0.738 212 E HN 0.259 nan 8.360 nan 0.000 0.459 213 I N 0.302 120.831 120.570 -0.069 0.000 2.277 213 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 213 I C 2.321 178.443 176.117 0.008 0.000 1.094 213 I CA 0.792 62.027 61.300 -0.110 0.000 1.393 213 I CB -0.189 37.618 38.000 -0.321 0.000 1.078 213 I HN 0.054 nan 8.210 nan 0.000 0.417 214 E N 0.977 121.185 120.200 0.013 0.000 2.097 214 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 214 E C 1.434 178.069 176.600 0.057 0.000 1.000 214 E CA 1.320 57.745 56.400 0.042 0.000 0.804 214 E CB -0.036 29.687 29.700 0.038 0.000 0.740 214 E HN 0.417 nan 8.360 nan 0.000 0.454 215 N N -0.303 118.434 118.700 0.061 0.000 2.412 215 N HA -0.020 4.720 4.740 -0.000 0.000 0.184 215 N C -0.155 175.393 175.510 0.062 0.000 1.101 215 N CA 0.060 53.139 53.050 0.049 0.000 0.881 215 N CB 0.002 38.509 38.487 0.033 0.000 0.969 215 N HN 0.032 nan 8.380 nan 0.000 0.459 216 F N 1.438 121.363 119.950 -0.042 0.000 2.572 216 F HA 0.105 4.632 4.527 -0.000 0.000 0.370 216 F C 0.331 176.111 175.800 -0.033 0.000 1.103 216 F CA -0.093 57.879 58.000 -0.046 0.000 1.286 216 F CB 0.650 39.611 39.000 -0.065 0.000 1.105 216 F HN -0.295 nan 8.300 nan 0.000 0.583 217 V N 7.385 126.818 119.914 -0.803 0.000 2.443 217 V HA 0.708 4.827 4.120 -0.000 0.000 0.293 217 V C -0.374 175.232 176.094 -0.812 0.000 1.021 217 V CA -0.612 61.356 62.300 -0.554 0.000 0.848 217 V CB 0.923 32.575 31.823 -0.286 0.000 0.998 217 V HN 1.107 nan 8.190 nan 0.000 0.424 218 A N 7.187 129.783 122.820 -0.373 0.000 2.520 218 A HA 0.466 4.785 4.320 -0.000 0.000 0.245 218 A C 0.196 177.712 177.584 -0.114 0.000 1.072 218 A CA 0.185 52.156 52.037 -0.109 0.000 0.761 218 A CB -0.010 19.055 19.000 0.108 0.000 1.004 218 A HN 0.979 nan 8.150 nan 0.000 0.499 219 K N 2.438 122.799 120.400 -0.066 0.000 2.316 219 K HA 0.506 4.826 4.320 -0.000 0.000 0.251 219 K C -1.544 175.083 176.600 0.045 0.000 0.934 219 K CA -0.914 55.359 56.287 -0.023 0.000 0.802 219 K CB 1.580 34.050 32.500 -0.050 0.000 1.171 219 K HN 0.431 nan 8.250 nan 0.000 0.426 220 D N 3.006 123.398 120.400 -0.013 0.000 2.389 220 D HA 0.220 4.860 4.640 -0.000 0.000 0.247 220 D C -0.447 175.725 176.300 -0.214 0.000 1.128 220 D CA 0.327 54.227 54.000 -0.167 0.000 0.884 220 D CB 0.305 40.988 40.800 -0.194 0.000 1.194 220 D HN 0.518 nan 8.370 nan 0.000 0.441 221 F N -0.007 119.554 119.950 -0.647 0.000 2.643 221 F HA 0.744 5.271 4.527 -0.000 0.000 0.314 221 F C -1.690 173.640 175.800 -0.784 0.000 1.096 221 F CA -1.246 56.389 58.000 -0.608 0.000 0.953 221 F CB 1.171 40.058 39.000 -0.187 0.000 1.345 221 F HN 0.078 nan 8.300 nan 0.000 0.468 222 F N 0.114 120.111 119.950 0.079 0.000 2.588 222 F HA 0.642 5.169 4.527 -0.000 0.000 0.314 222 F C -0.772 175.085 175.800 0.095 0.000 1.069 222 F CA -0.814 57.184 58.000 -0.005 0.000 0.931 222 F CB 2.434 41.476 39.000 0.070 0.000 1.260 222 F HN 0.688 nan 8.300 nan 0.000 0.465 223 E N -0.085 120.266 120.200 0.252 0.000 2.408 223 E HA 0.722 5.072 4.350 -0.000 0.000 0.275 223 E C -1.995 174.765 176.600 0.267 0.000 0.935 223 E CA -1.183 55.371 56.400 0.257 0.000 0.775 223 E CB 2.706 32.507 29.700 0.169 0.000 1.277 223 E HN 0.272 nan 8.360 nan 0.000 0.455 224 V N 1.533 121.651 119.914 0.340 0.000 2.370 224 V HA 0.317 4.437 4.120 -0.000 0.000 0.283 224 V C -0.256 176.015 176.094 0.295 0.000 1.023 224 V CA -0.686 61.791 62.300 0.296 0.000 0.857 224 V CB 1.314 33.311 31.823 0.290 0.000 0.985 224 V HN 0.560 nan 8.190 nan 0.000 0.443 225 K N 3.484 123.995 120.400 0.185 0.000 2.240 225 K HA 0.718 5.038 4.320 -0.000 0.000 0.271 225 K C -0.185 176.429 176.600 0.024 0.000 1.018 225 K CA -0.394 55.949 56.287 0.092 0.000 0.874 225 K CB 1.437 33.929 32.500 -0.013 0.000 1.098 225 K HN 0.822 nan 8.250 nan 0.000 0.458 226 A N 4.495 127.311 122.820 -0.006 0.000 2.289 226 A HA 0.253 4.573 4.320 -0.000 0.000 0.298 226 A C -0.748 176.643 177.584 -0.322 0.000 1.208 226 A CA -0.518 51.403 52.037 -0.194 0.000 0.845 226 A CB 0.263 18.989 19.000 -0.456 0.000 1.125 226 A HN 0.747 nan 8.150 nan 0.000 0.517 227 H N 3.525 122.494 119.070 -0.168 0.000 2.652 227 H HA 0.258 4.814 4.556 -0.000 0.000 0.298 227 H C -0.239 174.925 175.328 -0.273 0.000 1.076 227 H CA -0.035 55.900 56.048 -0.189 0.000 1.360 227 H CB 0.710 30.402 29.762 -0.117 0.000 1.421 227 H HN 0.424 nan 8.280 nan 0.000 0.464 228 I N 3.289 123.640 120.570 -0.364 0.000 2.498 228 I HA 0.243 4.413 4.170 -0.000 0.000 0.301 228 I C 0.387 176.325 176.117 -0.298 0.000 0.984 228 I CA -0.788 60.227 61.300 -0.474 0.000 1.204 228 I CB 1.942 39.323 38.000 -1.032 0.000 1.362 228 I HN 0.216 nan 8.210 nan 0.000 0.471 229 V N 4.419 124.242 119.914 -0.152 0.000 2.686 229 V HA 0.456 4.576 4.120 -0.000 0.000 0.306 229 V C 0.149 176.258 176.094 0.025 0.000 1.065 229 V CA -0.302 61.978 62.300 -0.032 0.000 0.894 229 V CB 2.313 34.122 31.823 -0.022 0.000 1.004 229 V HN 1.034 nan 8.190 nan 0.000 0.424 230 T N 4.121 118.732 114.554 0.094 0.000 2.849 230 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 230 T C -1.803 172.923 174.700 0.043 0.000 1.004 230 T CA -1.388 60.766 62.100 0.091 0.000 1.021 230 T CB 1.323 70.262 68.868 0.118 0.000 1.013 230 T HN 0.490 nan 8.240 nan 0.000 0.527 231 P HA 0.009 nan 4.420 nan 0.000 0.216 231 P C 1.424 178.731 177.300 0.012 0.000 1.150 231 P CA 1.221 64.329 63.100 0.013 0.000 0.837 231 P CB -0.298 31.405 31.700 0.006 0.000 0.786 232 A N -0.768 122.061 122.820 0.015 0.000 2.248 232 A HA -0.077 4.243 4.320 -0.000 0.000 0.210 232 A C 0.831 178.427 177.584 0.019 0.000 1.174 232 A CA 1.206 53.249 52.037 0.011 0.000 0.750 232 A CB -1.545 17.457 19.000 0.003 0.000 0.780 232 A HN 0.219 nan 8.150 nan 0.000 0.478 233 D N -1.507 118.911 120.400 0.029 0.000 3.017 233 D HA -0.130 4.510 4.640 -0.000 0.000 0.220 233 D C -0.301 176.029 176.300 0.050 0.000 1.141 233 D CA 1.102 55.121 54.000 0.031 0.000 0.848 233 D CB -1.283 39.527 40.800 0.018 0.000 1.102 233 D HN 0.744 nan 8.370 nan 0.000 0.427 234 E N 0.335 120.580 120.200 0.075 0.000 2.343 234 E HA 0.512 4.862 4.350 -0.000 0.000 0.269 234 E C 0.262 176.974 176.600 0.187 0.000 1.047 234 E CA -0.132 56.337 56.400 0.115 0.000 0.874 234 E CB 1.089 30.854 29.700 0.108 0.000 1.033 234 E HN 0.156 nan 8.360 nan 0.000 0.409 235 R N 2.122 122.748 120.500 0.209 0.000 2.686 235 R HA 0.612 4.952 4.340 -0.000 0.000 0.286 235 R C -0.985 175.525 176.300 0.350 0.000 0.969 235 R CA -0.705 55.516 56.100 0.202 0.000 0.898 235 R CB 1.132 31.496 30.300 0.106 0.000 1.183 235 R HN 0.542 nan 8.270 nan 0.000 0.456 236 F N -2.010 117.972 119.950 0.053 0.000 2.817 236 F HA 0.552 5.079 4.527 -0.000 0.000 0.317 236 F C -1.016 174.792 175.800 0.013 0.000 1.168 236 F CA -1.137 56.892 58.000 0.048 0.000 0.911 236 F CB 1.514 40.547 39.000 0.055 0.000 1.337 236 F HN 0.400 nan 8.300 nan 0.000 0.464 237 T N -0.052 114.539 114.554 0.062 0.000 2.856 237 T HA 0.877 5.227 4.350 -0.000 0.000 0.283 237 T C -0.787 173.953 174.700 0.067 0.000 1.008 237 T CA -0.346 61.679 62.100 -0.124 0.000 0.997 237 T CB 1.489 70.256 68.868 -0.168 0.000 0.992 237 T HN 1.354 nan 8.240 nan 0.000 0.454 238 A N 3.658 126.485 122.820 0.013 0.000 2.350 238 A HA 0.750 5.070 4.320 -0.000 0.000 0.324 238 A C -0.232 177.521 177.584 0.282 0.000 1.118 238 A CA -1.042 51.116 52.037 0.200 0.000 0.783 238 A CB 0.745 19.894 19.000 0.247 0.000 1.236 238 A HN 0.847 nan 8.150 nan 0.000 0.457 239 I N 1.227 121.962 120.570 0.274 0.000 2.428 239 I HA 0.150 4.320 4.170 -0.000 0.000 0.296 239 I C -0.092 176.153 176.117 0.213 0.000 0.985 239 I CA -0.439 61.015 61.300 0.257 0.000 1.260 239 I CB 1.242 39.326 38.000 0.141 0.000 1.389 239 I HN 0.904 nan 8.210 nan 0.000 0.484 240 W N 6.540 127.737 121.300 -0.173 0.000 2.264 240 W HA 0.076 4.736 4.660 -0.000 0.000 0.331 240 W C -0.130 176.162 176.519 -0.379 0.000 1.364 240 W CA -0.127 56.760 57.345 -0.763 0.000 1.253 240 W CB 0.376 29.488 29.460 -0.581 0.000 1.215 240 W HN 0.392 nan 8.180 nan 0.000 0.561 241 Q N 7.957 127.387 119.800 -0.616 0.000 2.506 241 Q HA 0.269 4.609 4.340 -0.000 0.000 0.242 241 Q C -2.107 173.409 176.000 -0.805 0.000 1.060 241 Q CA -2.019 53.444 55.803 -0.567 0.000 0.826 241 Q CB 0.686 29.273 28.738 -0.251 0.000 1.169 241 Q HN 0.276 nan 8.270 nan 0.000 0.521 242 P HA -0.068 nan 4.420 nan 0.000 0.266 242 P C 0.269 177.353 177.300 -0.361 0.000 1.195 242 P CA 0.349 62.844 63.100 -1.008 0.000 0.768 242 P CB 0.681 31.775 31.700 -1.009 0.000 0.838 243 S N 1.721 117.350 115.700 -0.118 0.000 2.641 243 S HA 0.053 4.523 4.470 -0.000 0.000 0.261 243 S C 1.413 175.995 174.600 -0.031 0.000 1.257 243 S CA 0.027 58.206 58.200 -0.036 0.000 0.983 243 S CB 0.353 63.580 63.200 0.045 0.000 0.990 243 S HN 0.597 nan 8.310 nan 0.000 0.572 244 E N 0.587 120.780 120.200 -0.012 0.000 2.204 244 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 244 E C 1.868 178.477 176.600 0.015 0.000 0.990 244 E CA 1.130 57.524 56.400 -0.010 0.000 0.821 244 E CB -0.724 28.971 29.700 -0.008 0.000 0.750 244 E HN 0.744 nan 8.360 nan 0.000 0.477 245 A N 0.627 123.472 122.820 0.042 0.000 2.131 245 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 245 A C 2.151 179.808 177.584 0.122 0.000 1.158 245 A CA 1.178 53.261 52.037 0.076 0.000 0.665 245 A CB -0.841 18.214 19.000 0.092 0.000 0.795 245 A HN 0.556 nan 8.150 nan 0.000 0.460 246 C N -0.735 118.624 119.300 0.099 0.000 2.696 246 C HA 0.163 4.623 4.460 -0.000 0.000 0.264 246 C C 2.192 177.263 174.990 0.135 0.000 1.288 246 C CA 0.144 59.257 59.018 0.158 0.000 1.717 246 C CB -1.413 26.351 27.740 0.039 0.000 1.893 246 C HN 0.707 nan 8.230 nan 0.000 0.577 247 E N 1.921 122.149 120.200 0.047 0.000 2.097 247 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 247 E C -0.717 175.862 176.600 -0.036 0.000 1.000 247 E CA 1.623 58.022 56.400 -0.003 0.000 0.804 247 E CB -0.692 28.993 29.700 -0.025 0.000 0.740 247 E HN 0.590 nan 8.360 nan 0.000 0.454 248 P HA -0.150 nan 4.420 nan 0.000 0.231 248 P C 0.177 177.197 177.300 -0.467 0.000 1.158 248 P CA 1.312 64.226 63.100 -0.310 0.000 0.763 248 P CB -0.040 31.385 31.700 -0.458 0.000 0.805 249 Y N -1.149 119.153 120.300 0.004 0.000 2.445 249 Y HA 0.285 4.835 4.550 -0.000 0.000 0.247 249 Y C 1.401 177.340 175.900 0.065 0.000 1.129 249 Y CA -0.317 57.806 58.100 0.039 0.000 1.251 249 Y CB 0.155 38.648 38.460 0.056 0.000 1.176 249 Y HN -0.050 nan 8.280 nan 0.000 0.522 250 Q N 1.292 121.164 119.800 0.121 0.000 2.214 250 Q HA 0.196 4.536 4.340 -0.000 0.000 0.251 250 Q C -0.475 175.530 176.000 0.007 0.000 0.936 250 Q CA -0.944 54.895 55.803 0.060 0.000 0.894 250 Q CB 1.137 29.878 28.738 0.006 0.000 1.252 250 Q HN 0.231 nan 8.270 nan 0.000 0.448 251 D N 0.329 120.719 120.400 -0.017 0.000 2.414 251 D HA -0.036 4.604 4.640 -0.000 0.000 0.259 251 D C 0.243 176.505 176.300 -0.064 0.000 1.269 251 D CA -0.240 53.731 54.000 -0.048 0.000 1.028 251 D CB 0.513 41.269 40.800 -0.074 0.000 1.093 251 D HN 0.395 nan 8.370 nan 0.000 0.545 252 E N -1.013 119.146 120.200 -0.068 0.000 2.209 252 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 252 E C 1.417 177.970 176.600 -0.078 0.000 0.993 252 E CA 1.251 57.612 56.400 -0.066 0.000 0.819 252 E CB -0.118 29.546 29.700 -0.060 0.000 0.745 252 E HN 0.554 nan 8.360 nan 0.000 0.477 253 E N -1.305 118.835 120.200 -0.100 0.000 2.447 253 E HA 0.114 4.464 4.350 -0.000 0.000 0.195 253 E C 1.001 177.528 176.600 -0.121 0.000 1.028 253 E CA 0.675 57.004 56.400 -0.118 0.000 0.876 253 E CB 0.414 30.019 29.700 -0.158 0.000 0.885 253 E HN 0.249 nan 8.360 nan 0.000 0.500 254 G N 0.753 109.488 108.800 -0.109 0.000 2.179 254 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 254 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 254 G C -0.013 174.833 174.900 -0.089 0.000 0.990 254 G CA -0.014 45.028 45.100 -0.096 0.000 0.646 254 G HN 0.169 nan 8.290 nan 0.000 0.517 255 R N -0.108 120.312 120.500 -0.133 0.000 2.491 255 R HA 0.476 4.816 4.340 -0.000 0.000 0.283 255 R C 0.318 176.672 176.300 0.089 0.000 1.072 255 R CA -0.622 55.422 56.100 -0.092 0.000 1.048 255 R CB 0.982 30.953 30.300 -0.549 0.000 0.983 255 R HN 0.249 nan 8.270 nan 0.000 0.450 256 L N 4.369 125.737 121.223 0.241 0.000 2.418 256 L HA 0.062 4.402 4.340 -0.000 0.000 0.274 256 L C 0.294 177.429 176.870 0.442 0.000 1.135 256 L CA 0.642 55.667 54.840 0.309 0.000 0.870 256 L CB 0.495 42.755 42.059 0.336 0.000 1.154 256 L HN 0.707 nan 8.230 nan 0.000 0.462 257 L N 4.613 126.080 121.223 0.407 0.000 2.554 257 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 257 L C 0.484 177.695 176.870 0.569 0.000 1.104 257 L CA -0.047 55.050 54.840 0.428 0.000 0.866 257 L CB -0.242 41.984 42.059 0.278 0.000 1.047 257 L HN 0.628 nan 8.230 nan 0.000 0.468 258 H N 0.756 120.057 119.070 0.384 0.000 2.673 258 H HA 0.181 4.737 4.556 -0.000 0.000 0.293 258 H C 0.722 176.006 175.328 -0.073 0.000 1.065 258 H CA -0.258 55.904 56.048 0.189 0.000 1.236 258 H CB 0.993 30.864 29.762 0.182 0.000 1.389 258 H HN 0.073 nan 8.280 nan 0.000 0.481 259 R N 3.923 124.011 120.500 -0.687 0.000 2.094 259 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 259 R C -0.982 174.989 176.300 -0.549 0.000 1.137 259 R CA 1.487 56.936 56.100 -1.085 0.000 0.943 259 R CB -0.766 28.755 30.300 -1.298 0.000 0.850 259 R HN 0.452 nan 8.270 nan 0.000 0.433 260 P HA -0.168 nan 4.420 nan 0.000 0.217 260 P C 1.229 178.478 177.300 -0.085 0.000 1.148 260 P CA 0.929 63.872 63.100 -0.262 0.000 0.828 260 P CB -0.111 31.453 31.700 -0.227 0.000 0.783 261 L N -0.398 120.843 121.223 0.030 0.000 2.083 261 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 261 L C 2.180 179.065 176.870 0.025 0.000 1.083 261 L CA 1.993 56.875 54.840 0.070 0.000 0.752 261 L CB -1.462 40.652 42.059 0.092 0.000 0.899 261 L HN -0.113 nan 8.230 nan 0.000 0.433 262 A N -0.861 121.957 122.820 -0.003 0.000 1.930 262 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 262 A C 2.206 179.744 177.584 -0.076 0.000 1.175 262 A CA 1.696 53.726 52.037 -0.012 0.000 0.627 262 A CB -0.602 18.405 19.000 0.012 0.000 0.815 262 A HN 0.561 nan 8.150 nan 0.000 0.443 263 E N -1.422 118.724 120.200 -0.091 0.000 2.077 263 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 263 E C 1.935 178.514 176.600 -0.036 0.000 0.989 263 E CA 1.347 57.705 56.400 -0.069 0.000 0.800 263 E CB -0.223 29.429 29.700 -0.080 0.000 0.746 263 E HN 0.808 nan 8.360 nan 0.000 0.452 264 H N -0.335 118.660 119.070 -0.125 0.000 2.321 264 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 264 H C 1.817 177.048 175.328 -0.163 0.000 1.087 264 H CA 1.667 57.642 56.048 -0.122 0.000 1.319 264 H CB -0.206 29.491 29.762 -0.108 0.000 1.379 264 H HN 0.003 nan 8.280 nan 0.000 0.501 265 V N -0.405 119.335 119.914 -0.289 0.000 2.358 265 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 265 V C 2.667 178.578 176.094 -0.305 0.000 1.047 265 V CA 1.415 63.439 62.300 -0.459 0.000 1.035 265 V CB -0.665 30.652 31.823 -0.843 0.000 0.658 265 V HN 0.300 nan 8.190 nan 0.000 0.452 266 V N 0.794 120.590 119.914 -0.197 0.000 2.282 266 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 266 V C 2.358 178.373 176.094 -0.132 0.000 1.057 266 V CA 2.346 64.575 62.300 -0.119 0.000 1.032 266 V CB -0.862 30.923 31.823 -0.063 0.000 0.645 266 V HN 0.569 nan 8.190 nan 0.000 0.447 267 N N -0.081 118.532 118.700 -0.145 0.000 2.223 267 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 267 N C 1.945 177.354 175.510 -0.168 0.000 1.016 267 N CA 1.191 54.164 53.050 -0.129 0.000 0.863 267 N CB -0.310 38.124 38.487 -0.089 0.000 0.983 267 N HN 0.492 nan 8.380 nan 0.000 0.429 268 R N 0.370 120.716 120.500 -0.257 0.000 2.093 268 R HA 0.099 4.439 4.340 -0.000 0.000 0.224 268 R C 2.136 178.332 176.300 -0.173 0.000 1.101 268 R CA 0.889 56.843 56.100 -0.243 0.000 0.979 268 R CB -0.166 29.927 30.300 -0.344 0.000 0.877 268 R HN 0.389 nan 8.270 nan 0.000 0.441 269 I N -2.682 117.783 120.570 -0.175 0.000 3.030 269 I HA 0.112 4.282 4.170 -0.000 0.000 0.270 269 I C 0.688 176.713 176.117 -0.153 0.000 1.211 269 I CA 0.062 61.257 61.300 -0.175 0.000 1.479 269 I CB 0.158 38.019 38.000 -0.231 0.000 1.105 269 I HN -0.205 nan 8.210 nan 0.000 0.447 270 S N 2.106 117.732 115.700 -0.124 0.000 2.509 270 S HA 0.369 4.839 4.470 -0.000 0.000 0.287 270 S C 1.198 175.745 174.600 -0.088 0.000 1.248 270 S CA 0.834 58.975 58.200 -0.098 0.000 1.089 270 S CB -0.294 62.859 63.200 -0.079 0.000 0.900 270 S HN 0.889 nan 8.310 nan 0.000 0.496 271 G N 3.688 112.436 108.800 -0.086 0.000 2.147 271 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.244 271 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.244 271 G C -0.153 174.703 174.900 -0.073 0.000 1.005 271 G CA -0.165 44.891 45.100 -0.073 0.000 0.713 271 G HN 0.640 nan 8.290 nan 0.000 0.515 272 Q N 0.033 119.778 119.800 -0.091 0.000 2.301 272 Q HA 0.479 4.819 4.340 -0.000 0.000 0.267 272 Q C -2.449 173.501 176.000 -0.084 0.000 1.035 272 Q CA -2.023 53.730 55.803 -0.083 0.000 0.856 272 Q CB 2.010 30.692 28.738 -0.093 0.000 1.337 272 Q HN 0.225 nan 8.270 nan 0.000 0.450 273 P HA 0.015 nan 4.420 nan 0.000 0.265 273 P C -1.232 176.029 177.300 -0.065 0.000 1.187 273 P CA 0.223 63.292 63.100 -0.051 0.000 0.766 273 P CB 0.407 32.089 31.700 -0.030 0.000 0.820 274 A N 4.756 127.541 122.820 -0.059 0.000 2.310 274 A HA 0.527 4.847 4.320 -0.000 0.000 0.304 274 A C -0.249 177.335 177.584 -0.000 0.000 1.231 274 A CA -0.650 51.350 52.037 -0.061 0.000 0.799 274 A CB 0.247 19.182 19.000 -0.107 0.000 1.162 274 A HN 0.321 nan 8.150 nan 0.000 0.486 275 I N 3.268 123.851 120.570 0.023 0.000 2.331 275 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 275 I C 0.195 176.359 176.117 0.078 0.000 0.998 275 I CA -0.752 60.576 61.300 0.047 0.000 1.267 275 I CB 1.126 39.151 38.000 0.043 0.000 1.386 275 I HN 0.254 nan 8.210 nan 0.000 0.476 276 V N 6.982 126.948 119.914 0.088 0.000 2.439 276 V HA 0.045 4.165 4.120 -0.000 0.000 0.271 276 V C 1.466 177.622 176.094 0.102 0.000 1.040 276 V CA 0.164 62.533 62.300 0.115 0.000 1.002 276 V CB 0.522 32.420 31.823 0.125 0.000 1.000 276 V HN 0.908 nan 8.190 nan 0.000 0.477 277 T N 1.953 116.573 114.554 0.111 0.000 2.985 277 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 277 T C 0.615 175.369 174.700 0.089 0.000 1.076 277 T CA 0.918 63.074 62.100 0.094 0.000 1.135 277 T CB -0.009 68.916 68.868 0.096 0.000 0.890 277 T HN 0.855 nan 8.240 nan 0.000 0.480 278 S N -0.247 115.518 115.700 0.108 0.000 2.604 278 S HA 0.448 4.918 4.470 -0.000 0.000 0.296 278 S C -1.675 173.015 174.600 0.149 0.000 1.097 278 S CA -1.278 56.987 58.200 0.109 0.000 0.883 278 S CB 0.649 63.890 63.200 0.069 0.000 1.081 278 S HN 0.277 nan 8.310 nan 0.000 0.448 279 Y N 2.850 123.167 120.300 0.028 0.000 2.409 279 Y HA 0.745 5.295 4.550 -0.000 0.000 0.339 279 Y C -0.469 175.439 175.900 0.013 0.000 1.033 279 Y CA -0.580 57.530 58.100 0.016 0.000 1.094 279 Y CB 1.672 40.136 38.460 0.005 0.000 1.210 279 Y HN 0.961 nan 8.280 nan 0.000 0.456 280 N N 4.454 122.695 118.700 -0.764 0.000 2.503 280 N HA 0.121 4.861 4.740 -0.000 0.000 0.287 280 N C -2.448 172.720 175.510 -0.570 0.000 1.096 280 N CA -0.419 52.346 53.050 -0.476 0.000 0.936 280 N CB 1.481 39.843 38.487 -0.208 0.000 1.570 280 N HN 0.827 nan 8.380 nan 0.000 0.504 281 D N 2.189 122.382 120.400 -0.345 0.000 2.440 281 D HA 0.260 4.900 4.640 -0.000 0.000 0.252 281 D C -0.973 175.295 176.300 -0.054 0.000 1.180 281 D CA -0.336 53.555 54.000 -0.181 0.000 0.894 281 D CB 0.772 41.537 40.800 -0.058 0.000 1.111 281 D HN 0.039 nan 8.370 nan 0.000 0.544 282 K N 2.541 122.919 120.400 -0.038 0.000 2.164 282 K HA 0.458 4.778 4.320 -0.000 0.000 0.258 282 K C -0.161 176.459 176.600 0.033 0.000 0.951 282 K CA -0.759 55.527 56.287 -0.002 0.000 0.844 282 K CB 1.851 34.344 32.500 -0.011 0.000 1.099 282 K HN 0.429 nan 8.250 nan 0.000 0.435 283 R N 2.019 122.543 120.500 0.041 0.000 2.389 283 R HA 0.123 4.463 4.340 -0.000 0.000 0.295 283 R C -0.346 175.998 176.300 0.075 0.000 1.075 283 R CA 0.112 56.249 56.100 0.062 0.000 1.005 283 R CB 0.649 30.979 30.300 0.049 0.000 0.987 283 R HN 0.496 nan 8.270 nan 0.000 0.452 284 E N 1.292 121.565 120.200 0.122 0.000 2.220 284 E HA 0.168 4.518 4.350 -0.000 0.000 0.256 284 E C -0.981 175.730 176.600 0.185 0.000 0.881 284 E CA -0.367 56.110 56.400 0.129 0.000 0.766 284 E CB 2.153 31.918 29.700 0.107 0.000 1.187 284 E HN 0.378 nan 8.360 nan 0.000 0.419 285 S N 2.346 118.127 115.700 0.134 0.000 2.576 285 S HA 0.102 4.572 4.470 -0.000 0.000 0.276 285 S C -0.193 174.518 174.600 0.185 0.000 1.339 285 S CA -0.095 58.194 58.200 0.149 0.000 1.039 285 S CB 0.609 63.868 63.200 0.099 0.000 0.902 285 S HN 0.504 nan 8.310 nan 0.000 0.516 286 E N 2.265 122.615 120.200 0.251 0.000 2.343 286 E HA 0.231 4.581 4.350 -0.000 0.000 0.260 286 E C -1.064 175.746 176.600 0.350 0.000 0.908 286 E CA -0.319 56.264 56.400 0.306 0.000 0.814 286 E CB 0.976 30.957 29.700 0.469 0.000 1.302 286 E HN 0.512 nan 8.360 nan 0.000 0.408 287 S N 1.702 117.495 115.700 0.156 0.000 2.573 287 S HA 0.269 4.739 4.470 -0.000 0.000 0.277 287 S C 0.275 174.709 174.600 -0.277 0.000 1.346 287 S CA -0.000 58.202 58.200 0.004 0.000 1.034 287 S CB 0.995 64.147 63.200 -0.081 0.000 0.879 287 S HN 0.632 nan 8.310 nan 0.000 0.528 288 A N 4.179 126.601 122.820 -0.664 0.000 2.520 288 A HA 0.352 4.672 4.320 -0.000 0.000 0.235 288 A C -1.885 175.146 177.584 -0.922 0.000 1.065 288 A CA -0.899 50.278 52.037 -1.433 0.000 0.764 288 A CB -0.576 17.930 19.000 -0.824 0.000 1.002 288 A HN 0.551 nan 8.150 nan 0.000 0.502 289 P HA 0.260 nan 4.420 nan 0.000 0.272 289 P C -0.369 176.590 177.300 -0.568 0.000 1.240 289 P CA -0.194 62.541 63.100 -0.609 0.000 0.791 289 P CB 0.453 31.837 31.700 -0.527 0.000 0.978 290 L N 1.976 122.911 121.223 -0.479 0.000 2.472 290 L HA 0.269 4.609 4.340 -0.000 0.000 0.260 290 L C -1.798 174.753 176.870 -0.532 0.000 1.209 290 L CA -1.899 52.625 54.840 -0.527 0.000 0.817 290 L CB -0.499 41.218 42.059 -0.570 0.000 1.106 290 L HN 0.276 nan 8.230 nan 0.000 0.479 291 P HA 0.003 nan 4.420 nan 0.000 0.271 291 P C -0.833 176.287 177.300 -0.299 0.000 1.233 291 P CA -0.005 62.838 63.100 -0.427 0.000 0.789 291 P CB 0.272 31.797 31.700 -0.293 0.000 0.951 292 F N 0.052 119.941 119.950 -0.101 0.000 2.484 292 F HA 0.102 4.629 4.527 -0.000 0.000 0.360 292 F C 1.624 177.387 175.800 -0.063 0.000 1.101 292 F CA -0.113 57.839 58.000 -0.079 0.000 1.251 292 F CB 0.450 39.419 39.000 -0.052 0.000 1.132 292 F HN 0.272 nan 8.300 nan 0.000 0.570 293 S N 3.335 119.142 115.700 0.177 0.000 2.655 293 S HA 0.174 4.644 4.470 -0.000 0.000 0.265 293 S C 0.807 175.434 174.600 0.045 0.000 1.240 293 S CA -0.940 57.312 58.200 0.087 0.000 0.986 293 S CB 1.208 64.444 63.200 0.061 0.000 0.985 293 S HN 0.677 nan 8.310 nan 0.000 0.562 294 L N 1.570 122.780 121.223 -0.022 0.000 2.012 294 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 294 L C 2.656 179.475 176.870 -0.086 0.000 1.073 294 L CA 2.629 57.421 54.840 -0.081 0.000 0.748 294 L CB -1.356 40.638 42.059 -0.109 0.000 0.891 294 L HN 0.988 nan 8.230 nan 0.000 0.431 295 S N -0.643 115.030 115.700 -0.045 0.000 2.368 295 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 295 S C 2.142 176.711 174.600 -0.052 0.000 1.029 295 S CA 0.813 58.988 58.200 -0.042 0.000 0.988 295 S CB -1.036 62.158 63.200 -0.011 0.000 0.838 295 S HN 0.512 nan 8.310 nan 0.000 0.462 296 A N 1.829 124.641 122.820 -0.013 0.000 1.933 296 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 296 A C 2.254 179.694 177.584 -0.241 0.000 1.175 296 A CA 1.599 53.651 52.037 0.025 0.000 0.628 296 A CB -0.879 18.256 19.000 0.225 0.000 0.814 296 A HN 0.572 nan 8.150 nan 0.000 0.444 297 L N -0.277 120.651 121.223 -0.490 0.000 2.056 297 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 297 L C 2.402 179.005 176.870 -0.445 0.000 1.078 297 L CA 2.320 56.594 54.840 -0.944 0.000 0.749 297 L CB -0.712 40.911 42.059 -0.727 0.000 0.901 297 L HN 0.490 nan 8.230 nan 0.000 0.433 298 Q N -0.433 119.221 119.800 -0.244 0.000 2.124 298 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 298 Q C 2.235 178.171 176.000 -0.106 0.000 0.977 298 Q CA 2.172 57.892 55.803 -0.139 0.000 0.850 298 Q CB -0.255 28.427 28.738 -0.093 0.000 0.901 298 Q HN 0.594 nan 8.270 nan 0.000 0.429 299 I N 0.318 120.828 120.570 -0.099 0.000 2.113 299 I HA -0.276 3.894 4.170 -0.000 0.000 0.238 299 I C 2.418 178.496 176.117 -0.065 0.000 1.070 299 I CA 1.228 62.498 61.300 -0.050 0.000 1.332 299 I CB -0.184 37.809 38.000 -0.011 0.000 1.044 299 I HN 0.172 nan 8.210 nan 0.000 0.402 300 E N 1.310 121.446 120.200 -0.108 0.000 2.077 300 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 300 E C 2.093 178.626 176.600 -0.113 0.000 0.989 300 E CA 1.678 58.026 56.400 -0.086 0.000 0.800 300 E CB -0.237 29.440 29.700 -0.038 0.000 0.746 300 E HN 0.412 nan 8.360 nan 0.000 0.452 301 A N 0.650 123.407 122.820 -0.106 0.000 1.933 301 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 301 A C 2.406 179.999 177.584 0.016 0.000 1.175 301 A CA 2.056 54.112 52.037 0.032 0.000 0.628 301 A CB -0.923 18.119 19.000 0.071 0.000 0.814 301 A HN 0.375 nan 8.150 nan 0.000 0.444 302 A N -0.188 122.615 122.820 -0.029 0.000 1.898 302 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 302 A C 2.099 179.647 177.584 -0.059 0.000 1.181 302 A CA 1.760 53.782 52.037 -0.025 0.000 0.620 302 A CB -0.396 18.591 19.000 -0.022 0.000 0.819 302 A HN 0.535 nan 8.150 nan 0.000 0.442 303 K N -0.817 119.533 120.400 -0.084 0.000 2.097 303 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 303 K C 2.239 178.728 176.600 -0.185 0.000 1.049 303 K CA 1.291 57.517 56.287 -0.102 0.000 0.933 303 K CB -0.097 32.357 32.500 -0.075 0.000 0.717 303 K HN 0.351 nan 8.250 nan 0.000 0.442 304 R N -0.995 119.301 120.500 -0.341 0.000 2.156 304 R HA 0.090 4.430 4.340 -0.000 0.000 0.207 304 R C 1.327 177.220 176.300 -0.679 0.000 1.040 304 R CA 0.866 56.564 56.100 -0.670 0.000 1.013 304 R CB 0.314 29.928 30.300 -1.145 0.000 0.931 304 R HN 0.200 nan 8.270 nan 0.000 0.465 305 F N -1.451 118.491 119.950 -0.013 0.000 2.817 305 F HA 0.304 4.831 4.527 -0.000 0.000 0.333 305 F C 1.170 176.954 175.800 -0.027 0.000 1.085 305 F CA 0.145 58.135 58.000 -0.016 0.000 1.170 305 F CB 1.190 40.182 39.000 -0.014 0.000 1.066 305 F HN 0.118 nan 8.300 nan 0.000 0.564 306 G N 1.970 110.820 108.800 0.083 0.000 2.143 306 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 306 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 306 G C -0.014 174.906 174.900 0.032 0.000 0.991 306 G CA -0.239 44.879 45.100 0.031 0.000 0.689 306 G HN 0.248 nan 8.290 nan 0.000 0.522 307 L N 1.878 123.142 121.223 0.067 0.000 2.331 307 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 307 L C 1.481 178.347 176.870 -0.008 0.000 1.106 307 L CA -0.022 54.837 54.840 0.030 0.000 0.824 307 L CB 1.172 43.264 42.059 0.056 0.000 1.142 307 L HN 0.442 nan 8.230 nan 0.000 0.443 308 S N 2.200 117.878 115.700 -0.038 0.000 2.600 308 S HA 0.290 4.760 4.470 -0.000 0.000 0.265 308 S C 1.216 175.787 174.600 -0.048 0.000 1.325 308 S CA -0.170 57.997 58.200 -0.056 0.000 1.002 308 S CB 1.471 64.612 63.200 -0.099 0.000 0.921 308 S HN 0.693 nan 8.310 nan 0.000 0.554 309 A N 0.615 123.408 122.820 -0.045 0.000 1.908 309 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 309 A C 2.275 179.830 177.584 -0.049 0.000 1.181 309 A CA 2.042 54.053 52.037 -0.044 0.000 0.627 309 A CB -1.254 17.726 19.000 -0.034 0.000 0.818 309 A HN 0.874 nan 8.150 nan 0.000 0.445 310 Q N 0.224 119.993 119.800 -0.050 0.000 2.079 310 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 310 Q C 1.844 177.814 176.000 -0.049 0.000 0.974 310 Q CA 1.878 57.652 55.803 -0.049 0.000 0.840 310 Q CB -0.320 28.387 28.738 -0.051 0.000 0.898 310 Q HN 0.661 nan 8.270 nan 0.000 0.430 311 N N -0.558 118.110 118.700 -0.053 0.000 2.036 311 N HA -0.168 4.572 4.740 -0.000 0.000 0.195 311 N C 1.691 177.177 175.510 -0.039 0.000 1.037 311 N CA 1.796 54.819 53.050 -0.045 0.000 0.855 311 N CB -0.630 37.832 38.487 -0.042 0.000 1.033 311 N HN 0.147 nan 8.380 nan 0.000 0.423 312 V N 1.178 121.067 119.914 -0.042 0.000 2.358 312 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 312 V C 2.357 178.418 176.094 -0.055 0.000 1.047 312 V CA 0.992 63.264 62.300 -0.046 0.000 1.035 312 V CB -0.569 31.220 31.823 -0.058 0.000 0.658 312 V HN 0.190 nan 8.190 nan 0.000 0.452 313 L N 0.524 121.711 121.223 -0.061 0.000 2.046 313 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 313 L C 2.064 178.901 176.870 -0.056 0.000 1.077 313 L CA 2.054 56.851 54.840 -0.071 0.000 0.747 313 L CB -0.951 41.066 42.059 -0.070 0.000 0.896 313 L HN 0.307 nan 8.230 nan 0.000 0.432 314 D N -0.221 120.154 120.400 -0.041 0.000 2.084 314 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 314 D C 2.323 178.612 176.300 -0.018 0.000 0.990 314 D CA 1.956 55.938 54.000 -0.029 0.000 0.826 314 D CB -0.238 40.546 40.800 -0.028 0.000 0.971 314 D HN 0.425 nan 8.370 nan 0.000 0.453 315 I N 0.513 121.073 120.570 -0.016 0.000 2.264 315 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 315 I C 2.450 178.579 176.117 0.020 0.000 1.111 315 I CA 0.679 61.980 61.300 0.003 0.000 1.382 315 I CB -0.094 37.901 38.000 -0.007 0.000 1.060 315 I HN 0.073 nan 8.210 nan 0.000 0.418 316 C N -0.377 118.920 119.300 -0.005 0.000 2.446 316 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 316 C C 2.835 177.842 174.990 0.028 0.000 1.275 316 C CA 0.452 59.468 59.018 -0.004 0.000 1.727 316 C CB -0.839 26.858 27.740 -0.072 0.000 2.010 316 C HN 0.501 nan 8.230 nan 0.000 0.486 317 Q N 1.240 121.044 119.800 0.007 0.000 2.029 317 Q HA -0.243 4.097 4.340 -0.000 0.000 0.209 317 Q C 2.165 178.202 176.000 0.061 0.000 0.999 317 Q CA 1.833 57.671 55.803 0.058 0.000 0.857 317 Q CB -0.565 28.183 28.738 0.016 0.000 0.926 317 Q HN 0.659 nan 8.270 nan 0.000 0.415 318 K N 0.093 120.498 120.400 0.007 0.000 2.074 318 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 318 K C 2.255 178.841 176.600 -0.024 0.000 1.048 318 K CA 1.022 57.273 56.287 -0.059 0.000 0.926 318 K CB -0.211 32.271 32.500 -0.031 0.000 0.713 318 K HN 0.138 nan 8.250 nan 0.000 0.444 319 L N -0.383 120.913 121.223 0.123 0.000 2.131 319 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 319 L C 2.351 179.316 176.870 0.158 0.000 1.092 319 L CA 1.215 56.170 54.840 0.191 0.000 0.759 319 L CB -0.421 41.749 42.059 0.185 0.000 0.903 319 L HN 0.325 nan 8.230 nan 0.000 0.435 320 Y N 0.204 120.502 120.300 -0.003 0.000 2.201 320 Y HA -0.125 4.425 4.550 -0.000 0.000 0.292 320 Y C 2.540 178.419 175.900 -0.036 0.000 1.119 320 Y CA 1.508 59.601 58.100 -0.011 0.000 1.127 320 Y CB -0.021 38.415 38.460 -0.040 0.000 1.019 320 Y HN 0.079 nan 8.280 nan 0.000 0.514 321 E N -0.892 119.132 120.200 -0.294 0.000 2.060 321 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 321 E C 1.745 178.165 176.600 -0.300 0.000 0.974 321 E CA 1.467 57.609 56.400 -0.430 0.000 0.808 321 E CB 0.129 29.691 29.700 -0.230 0.000 0.768 321 E HN 0.474 nan 8.360 nan 0.000 0.453 322 T N 0.081 114.465 114.554 -0.283 0.000 2.781 322 T HA -0.035 4.315 4.350 -0.000 0.000 0.252 322 T C 1.547 176.058 174.700 -0.315 0.000 1.039 322 T CA 0.854 62.744 62.100 -0.350 0.000 1.147 322 T CB -0.265 68.295 68.868 -0.514 0.000 0.865 322 T HN 0.244 nan 8.240 nan 0.000 0.423 323 H N 1.386 120.398 119.070 -0.097 0.000 2.512 323 H HA 0.230 4.786 4.556 -0.000 0.000 0.279 323 H C 0.646 175.907 175.328 -0.112 0.000 0.999 323 H CA 0.520 56.500 56.048 -0.113 0.000 1.283 323 H CB -0.018 29.662 29.762 -0.138 0.000 1.421 323 H HN 0.395 nan 8.280 nan 0.000 0.554 324 K N 0.411 120.806 120.400 -0.008 0.000 3.096 324 K HA -0.170 4.149 4.320 -0.000 0.000 0.266 324 K C 0.630 177.253 176.600 0.038 0.000 1.043 324 K CA 0.173 56.450 56.287 -0.017 0.000 0.758 324 K CB -1.577 30.887 32.500 -0.060 0.000 1.260 324 K HN 0.284 nan 8.250 nan 0.000 0.481 325 L N -0.042 121.220 121.223 0.066 0.000 2.477 325 L HA 0.244 4.584 4.340 -0.000 0.000 0.220 325 L C 1.288 178.306 176.870 0.246 0.000 1.106 325 L CA 0.266 55.156 54.840 0.083 0.000 0.851 325 L CB 0.040 42.035 42.059 -0.106 0.000 0.994 325 L HN 0.367 nan 8.230 nan 0.000 0.462 326 I N -4.057 116.652 120.570 0.232 0.000 3.145 326 I HA 0.518 4.688 4.170 -0.000 0.000 0.313 326 I C 0.037 176.322 176.117 0.280 0.000 1.122 326 I CA -0.702 60.735 61.300 0.229 0.000 0.987 326 I CB 2.143 40.258 38.000 0.192 0.000 1.236 326 I HN -0.168 nan 8.210 nan 0.000 0.453 327 T N -0.301 114.399 114.554 0.244 0.000 2.862 327 T HA 0.302 4.652 4.350 -0.000 0.000 0.276 327 T C -0.130 174.592 174.700 0.037 0.000 0.974 327 T CA -0.278 61.992 62.100 0.282 0.000 0.966 327 T CB 0.531 69.616 68.868 0.362 0.000 1.072 327 T HN 0.603 nan 8.240 nan 0.000 0.538 328 Y N 3.468 123.611 120.300 -0.261 0.000 2.846 328 Y HA 0.029 4.579 4.550 -0.000 0.000 0.382 328 Y C -1.522 174.038 175.900 -0.567 0.000 1.265 328 Y CA -1.170 56.484 58.100 -0.742 0.000 1.639 328 Y CB 0.248 38.399 38.460 -0.515 0.000 1.128 328 Y HN 0.463 nan 8.280 nan 0.000 0.531 329 P HA 0.014 nan 4.420 nan 0.000 0.245 329 P C 0.101 176.986 177.300 -0.692 0.000 1.203 329 P CA 0.838 63.532 63.100 -0.677 0.000 0.792 329 P CB 0.371 31.771 31.700 -0.500 0.000 0.997 330 R N 0.100 119.882 120.500 -1.195 0.000 3.351 330 R HA 0.309 4.649 4.340 -0.000 0.000 0.296 330 R C 0.291 176.426 176.300 -0.275 0.000 1.427 330 R CA -0.037 55.673 56.100 -0.650 0.000 1.257 330 R CB -0.164 29.815 30.300 -0.534 0.000 1.378 330 R HN -0.002 nan 8.270 nan 0.000 0.610 331 S N 0.716 116.301 115.700 -0.192 0.000 2.489 331 S HA 0.070 4.540 4.470 -0.000 0.000 0.291 331 S C 0.622 175.249 174.600 0.046 0.000 1.151 331 S CA -0.908 57.320 58.200 0.047 0.000 1.082 331 S CB 0.935 64.189 63.200 0.090 0.000 1.019 331 S HN 0.451 nan 8.310 nan 0.000 0.492 332 D N 2.234 122.692 120.400 0.095 0.000 2.349 332 D HA 0.038 4.678 4.640 -0.000 0.000 0.214 332 D C 0.701 177.055 176.300 0.091 0.000 1.063 332 D CA -0.195 53.851 54.000 0.076 0.000 0.847 332 D CB -0.624 40.222 40.800 0.076 0.000 0.933 332 D HN 0.285 nan 8.370 nan 0.000 0.513 333 C N 0.987 120.356 119.300 0.116 0.000 2.405 333 C HA 0.471 4.931 4.460 -0.000 0.000 0.365 333 C C 1.165 176.212 174.990 0.096 0.000 1.233 333 C CA -0.619 58.480 59.018 0.135 0.000 2.230 333 C CB 0.264 28.102 27.740 0.164 0.000 2.443 333 C HN 0.239 nan 8.230 nan 0.000 0.556 334 R N 2.514 123.056 120.500 0.071 0.000 2.577 334 R HA 0.222 4.562 4.340 -0.000 0.000 0.344 334 R C -1.145 174.872 176.300 -0.471 0.000 1.037 334 R CA 0.058 56.054 56.100 -0.174 0.000 1.102 334 R CB 0.317 30.472 30.300 -0.241 0.000 1.313 334 R HN 0.707 nan 8.270 nan 0.000 0.561 335 Y N -0.086 120.156 120.300 -0.097 0.000 2.633 335 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 335 Y C -0.001 175.805 175.900 -0.157 0.000 1.045 335 Y CA -1.002 57.002 58.100 -0.161 0.000 1.098 335 Y CB 1.670 40.065 38.460 -0.109 0.000 1.296 335 Y HN -0.223 nan 8.280 nan 0.000 0.494 336 L N 2.037 123.217 121.223 -0.071 0.000 2.333 336 L HA 0.600 4.940 4.340 -0.000 0.000 0.263 336 L C -2.733 174.139 176.870 0.003 0.000 1.014 336 L CA -2.421 52.322 54.840 -0.162 0.000 0.820 336 L CB 2.311 44.142 42.059 -0.379 0.000 1.352 336 L HN 0.295 nan 8.230 nan 0.000 0.421 337 P HA 0.083 nan 4.420 nan 0.000 0.268 337 P C -0.036 177.435 177.300 0.286 0.000 1.205 337 P CA -0.099 63.035 63.100 0.057 0.000 0.771 337 P CB 0.623 32.301 31.700 -0.036 0.000 0.858 338 E N 1.360 121.710 120.200 0.249 0.000 2.130 338 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 338 E C 1.255 177.997 176.600 0.237 0.000 0.998 338 E CA 1.304 57.856 56.400 0.252 0.000 0.806 338 E CB -0.115 29.666 29.700 0.136 0.000 0.738 338 E HN 0.612 nan 8.360 nan 0.000 0.459 339 E N -0.401 119.942 120.200 0.238 0.000 2.409 339 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 339 E C 1.556 178.336 176.600 0.299 0.000 1.024 339 E CA 0.314 56.850 56.400 0.228 0.000 0.861 339 E CB 0.055 29.875 29.700 0.201 0.000 0.788 339 E HN 0.453 nan 8.360 nan 0.000 0.521 340 H N -1.359 117.845 119.070 0.223 0.000 2.502 340 H HA -0.076 4.480 4.556 -0.000 0.000 0.283 340 H C 1.711 177.126 175.328 0.145 0.000 1.015 340 H CA 0.264 56.467 56.048 0.258 0.000 1.298 340 H CB 0.163 30.161 29.762 0.394 0.000 1.411 340 H HN 0.195 nan 8.280 nan 0.000 0.556 341 F N 2.089 121.916 119.950 -0.206 0.000 2.091 341 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 341 F C 2.562 178.159 175.800 -0.338 0.000 1.103 341 F CA 1.295 58.831 58.000 -0.773 0.000 1.228 341 F CB -0.365 38.039 39.000 -0.993 0.000 0.984 341 F HN 0.054 nan 8.300 nan 0.000 0.477 342 A N -0.246 122.498 122.820 -0.128 0.000 2.076 342 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 342 A C 2.240 179.731 177.584 -0.155 0.000 1.160 342 A CA 1.509 53.466 52.037 -0.133 0.000 0.653 342 A CB -1.618 17.379 19.000 -0.005 0.000 0.801 342 A HN 0.493 nan 8.150 nan 0.000 0.455 343 G N -0.448 108.278 108.800 -0.124 0.000 3.284 343 G HA2 0.124 4.084 3.960 -0.000 0.000 0.236 343 G HA3 0.124 4.084 3.960 -0.000 0.000 0.236 343 G C 1.321 176.169 174.900 -0.087 0.000 1.158 343 G CA 0.390 45.441 45.100 -0.082 0.000 0.774 343 G HN 0.724 nan 8.290 nan 0.000 0.545 344 R N -0.266 120.088 120.500 -0.242 0.000 2.092 344 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 344 R C 1.665 177.805 176.300 -0.267 0.000 1.119 344 R CA 1.186 57.160 56.100 -0.210 0.000 0.970 344 R CB -0.796 29.192 30.300 -0.520 0.000 0.864 344 R HN 0.352 nan 8.270 nan 0.000 0.440 345 H N 1.241 120.221 119.070 -0.150 0.000 2.353 345 H HA 0.038 4.594 4.556 -0.000 0.000 0.300 345 H C 2.318 177.610 175.328 -0.061 0.000 1.090 345 H CA 1.623 57.598 56.048 -0.122 0.000 1.327 345 H CB -0.252 29.434 29.762 -0.127 0.000 1.383 345 H HN 0.450 nan 8.280 nan 0.000 0.508 346 A N 1.051 123.905 122.820 0.057 0.000 1.902 346 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 346 A C 2.857 180.456 177.584 0.025 0.000 1.181 346 A CA 1.628 53.684 52.037 0.032 0.000 0.623 346 A CB -0.860 18.149 19.000 0.016 0.000 0.818 346 A HN 0.208 nan 8.150 nan 0.000 0.443 347 V N -0.185 119.739 119.914 0.016 0.000 2.343 347 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 347 V C 2.628 178.741 176.094 0.030 0.000 1.051 347 V CA 2.276 64.571 62.300 -0.008 0.000 1.036 347 V CB -0.754 30.999 31.823 -0.115 0.000 0.654 347 V HN 0.572 nan 8.190 nan 0.000 0.451 348 M N 0.061 119.702 119.600 0.067 0.000 2.080 348 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 348 M C 2.308 178.640 176.300 0.054 0.000 1.068 348 M CA 2.036 57.384 55.300 0.080 0.000 1.109 348 M CB -0.771 31.847 32.600 0.030 0.000 1.342 348 M HN 0.463 nan 8.290 nan 0.000 0.405 349 N N 0.597 119.317 118.700 0.034 0.000 2.094 349 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 349 N C 1.597 177.101 175.510 -0.009 0.000 1.023 349 N CA 1.852 54.908 53.050 0.011 0.000 0.857 349 N CB 0.049 38.539 38.487 0.005 0.000 1.013 349 N HN 0.351 nan 8.380 nan 0.000 0.426 350 A N 1.069 123.900 122.820 0.018 0.000 1.930 350 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 350 A C 2.298 179.917 177.584 0.058 0.000 1.175 350 A CA 0.700 52.747 52.037 0.016 0.000 0.627 350 A CB -0.495 18.585 19.000 0.133 0.000 0.815 350 A HN 0.348 nan 8.150 nan 0.000 0.443 351 I N 0.771 121.432 120.570 0.153 0.000 2.226 351 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 351 I C 2.781 178.985 176.117 0.145 0.000 1.100 351 I CA 1.655 63.097 61.300 0.238 0.000 1.374 351 I CB -0.188 37.921 38.000 0.181 0.000 1.057 351 I HN 0.492 nan 8.210 nan 0.000 0.413 352 S N -0.230 115.505 115.700 0.059 0.000 2.474 352 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 352 S C 1.744 176.327 174.600 -0.027 0.000 0.997 352 S CA 0.809 59.025 58.200 0.028 0.000 0.949 352 S CB -0.447 62.761 63.200 0.013 0.000 0.766 352 S HN 0.254 nan 8.310 nan 0.000 0.517 353 V N 1.221 121.062 119.914 -0.122 0.000 2.436 353 V HA 0.037 4.157 4.120 -0.000 0.000 0.240 353 V C 2.383 178.342 176.094 -0.224 0.000 1.040 353 V CA 1.169 63.323 62.300 -0.242 0.000 1.052 353 V CB -0.645 30.905 31.823 -0.454 0.000 0.707 353 V HN 0.552 nan 8.190 nan 0.000 0.469 354 H N 0.207 119.266 119.070 -0.019 0.000 2.525 354 H HA 0.405 4.961 4.556 -0.000 0.000 0.275 354 H C 1.103 176.419 175.328 -0.020 0.000 0.984 354 H CA 0.929 56.886 56.048 -0.153 0.000 1.264 354 H CB 0.303 29.754 29.762 -0.519 0.000 1.432 354 H HN 0.426 nan 8.280 nan 0.000 0.549 355 A N 2.166 125.141 122.820 0.259 0.000 3.258 355 A HA 0.294 4.614 4.320 -0.000 0.000 0.318 355 A C -1.704 175.966 177.584 0.142 0.000 0.990 355 A CA -1.109 51.076 52.037 0.245 0.000 0.885 355 A CB 0.578 19.795 19.000 0.362 0.000 1.090 355 A HN -0.027 nan 8.150 nan 0.000 0.479 356 P HA -0.150 nan 4.420 nan 0.000 0.223 356 P C 0.265 177.600 177.300 0.058 0.000 1.144 356 P CA 1.118 64.249 63.100 0.051 0.000 0.783 356 P CB 0.327 32.042 31.700 0.025 0.000 0.771 357 D N -0.539 119.905 120.400 0.073 0.000 2.312 357 D HA -0.005 4.635 4.640 -0.000 0.000 0.211 357 D C 1.937 178.285 176.300 0.080 0.000 0.964 357 D CA 0.695 54.737 54.000 0.071 0.000 0.877 357 D CB -0.338 40.508 40.800 0.076 0.000 0.924 357 D HN 0.267 nan 8.370 nan 0.000 0.515 358 L N -0.698 120.582 121.223 0.096 0.000 2.375 358 L HA 0.168 4.508 4.340 -0.000 0.000 0.215 358 L C 0.696 177.619 176.870 0.089 0.000 1.108 358 L CA 0.390 55.291 54.840 0.102 0.000 0.830 358 L CB 0.248 42.382 42.059 0.126 0.000 0.959 358 L HN -0.115 nan 8.230 nan 0.000 0.457 359 L N -0.415 120.853 121.223 0.076 0.000 2.371 359 L HA 0.483 4.823 4.340 -0.000 0.000 0.262 359 L C -2.288 174.608 176.870 0.043 0.000 1.006 359 L CA -1.889 52.987 54.840 0.061 0.000 0.818 359 L CB 2.161 44.257 42.059 0.061 0.000 1.354 359 L HN -0.198 nan 8.230 nan 0.000 0.415 360 P HA 0.164 nan 4.420 nan 0.000 0.274 360 P C -1.553 175.770 177.300 0.039 0.000 1.237 360 P CA -0.420 62.700 63.100 0.033 0.000 0.793 360 P CB 1.339 33.053 31.700 0.022 0.000 0.977 361 Q N 1.844 121.670 119.800 0.043 0.000 2.406 361 Q HA 0.227 4.567 4.340 -0.000 0.000 0.244 361 Q C -2.013 174.016 176.000 0.047 0.000 0.884 361 Q CA -1.327 54.505 55.803 0.048 0.000 0.813 361 Q CB 1.842 30.619 28.738 0.065 0.000 1.368 361 Q HN 0.188 nan 8.270 nan 0.000 0.439 362 P HA -0.148 nan 4.420 nan 0.000 0.219 362 P C 0.911 178.239 177.300 0.046 0.000 1.146 362 P CA 0.796 63.917 63.100 0.036 0.000 0.808 362 P CB 0.368 32.084 31.700 0.026 0.000 0.779 363 V N 0.015 119.961 119.914 0.053 0.000 2.720 363 V HA -0.111 4.009 4.120 -0.000 0.000 0.256 363 V C 1.513 177.665 176.094 0.096 0.000 1.082 363 V CA 0.915 63.255 62.300 0.066 0.000 1.101 363 V CB -0.656 31.203 31.823 0.059 0.000 0.693 363 V HN -0.072 nan 8.190 nan 0.000 0.479 364 V N 2.122 122.096 119.914 0.099 0.000 2.446 364 V HA 0.137 4.257 4.120 -0.000 0.000 0.276 364 V C -0.073 176.081 176.094 0.101 0.000 1.030 364 V CA 0.077 62.453 62.300 0.127 0.000 1.033 364 V CB 0.886 32.775 31.823 0.109 0.000 0.993 364 V HN 0.432 nan 8.190 nan 0.000 0.477 365 D N 7.605 128.095 120.400 0.151 0.000 2.446 365 D HA 0.387 5.027 4.640 -0.000 0.000 0.251 365 D C -1.852 174.540 176.300 0.153 0.000 1.137 365 D CA -2.233 51.841 54.000 0.123 0.000 0.890 365 D CB 2.288 43.164 40.800 0.127 0.000 1.071 365 D HN 0.183 nan 8.370 nan 0.000 0.528 366 P HA -0.061 nan 4.420 nan 0.000 0.228 366 P C 0.714 178.061 177.300 0.078 0.000 1.151 366 P CA 0.712 63.725 63.100 -0.144 0.000 0.770 366 P CB 0.359 31.963 31.700 -0.161 0.000 0.786 367 D N -0.801 119.696 120.400 0.161 0.000 2.269 367 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 367 D C 0.555 177.026 176.300 0.285 0.000 0.963 367 D CA 0.229 54.354 54.000 0.208 0.000 0.864 367 D CB -0.292 40.587 40.800 0.132 0.000 0.936 367 D HN 0.075 nan 8.370 nan 0.000 0.505 368 I N 1.312 122.071 120.570 0.315 0.000 2.533 368 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 368 I C 0.460 176.770 176.117 0.322 0.000 1.109 368 I CA -0.063 61.393 61.300 0.261 0.000 1.412 368 I CB 0.843 38.973 38.000 0.216 0.000 1.396 368 I HN -0.061 nan 8.210 nan 0.000 0.543 369 R N 6.801 127.331 120.500 0.050 0.000 2.272 369 R HA 0.236 4.576 4.340 -0.000 0.000 0.323 369 R C -0.222 176.057 176.300 -0.035 0.000 1.002 369 R CA -0.588 55.364 56.100 -0.247 0.000 0.900 369 R CB 0.411 30.265 30.300 -0.743 0.000 1.151 369 R HN 0.787 nan 8.270 nan 0.000 0.507 370 N N 3.317 122.089 118.700 0.121 0.000 2.645 370 N HA 0.065 4.805 4.740 -0.000 0.000 0.308 370 N C 0.630 176.183 175.510 0.072 0.000 1.335 370 N CA -0.426 52.653 53.050 0.048 0.000 0.909 370 N CB 0.155 38.617 38.487 -0.043 0.000 1.109 370 N HN 0.582 nan 8.380 nan 0.000 0.555 371 R N -1.144 119.349 120.500 -0.011 0.000 2.235 371 R HA 0.041 4.381 4.340 -0.000 0.000 0.213 371 R C 1.951 178.272 176.300 0.036 0.000 1.059 371 R CA 1.183 57.298 56.100 0.025 0.000 0.997 371 R CB -1.144 29.166 30.300 0.018 0.000 0.884 371 R HN 0.640 nan 8.270 nan 0.000 0.462 372 C N -0.076 119.095 119.300 -0.215 0.000 2.448 372 C HA 0.115 4.575 4.460 -0.000 0.000 0.280 372 C C 0.433 175.227 174.990 -0.327 0.000 1.398 372 C CA -1.194 57.571 59.018 -0.422 0.000 1.774 372 C CB -1.130 26.134 27.740 -0.793 0.000 1.888 372 C HN 0.543 nan 8.230 nan 0.000 0.519 373 W N 2.442 123.748 121.300 0.010 0.000 2.507 373 W HA 0.529 5.189 4.660 -0.000 0.000 0.334 373 W C 0.016 176.544 176.519 0.015 0.000 1.165 373 W CA -0.216 57.136 57.345 0.012 0.000 1.460 373 W CB -0.050 29.377 29.460 -0.055 0.000 1.404 373 W HN 0.221 nan 8.180 nan 0.000 0.435 374 D N 2.491 122.999 120.400 0.180 0.000 2.312 374 D HA -0.005 4.635 4.640 -0.000 0.000 0.229 374 D C 0.396 176.699 176.300 0.005 0.000 1.337 374 D CA -0.249 53.782 54.000 0.052 0.000 0.964 374 D CB 0.707 41.475 40.800 -0.053 0.000 1.456 374 D HN 0.188 nan 8.370 nan 0.000 0.547 375 D N 1.729 122.146 120.400 0.028 0.000 2.265 375 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 375 D C 1.468 177.754 176.300 -0.023 0.000 0.977 375 D CA 0.851 54.862 54.000 0.019 0.000 0.871 375 D CB 0.486 41.305 40.800 0.033 0.000 0.925 375 D HN 0.483 nan 8.370 nan 0.000 0.485 376 K N 0.286 120.650 120.400 -0.060 0.000 2.228 376 K HA 0.014 4.334 4.320 -0.000 0.000 0.202 376 K C 1.460 177.982 176.600 -0.130 0.000 1.051 376 K CA 0.636 56.873 56.287 -0.084 0.000 0.960 376 K CB 0.278 32.722 32.500 -0.092 0.000 0.743 376 K HN 0.080 nan 8.250 nan 0.000 0.458 377 K N 0.827 121.102 120.400 -0.209 0.000 2.372 377 K HA 0.135 4.455 4.320 -0.000 0.000 0.200 377 K C -0.317 176.223 176.600 -0.100 0.000 1.022 377 K CA 0.035 56.153 56.287 -0.282 0.000 1.125 377 K CB 1.049 33.066 32.500 -0.805 0.000 0.855 377 K HN -0.132 nan 8.250 nan 0.000 0.524 378 V N 3.219 123.113 119.914 -0.033 0.000 2.353 378 V HA 0.029 4.149 4.120 -0.000 0.000 0.264 378 V C 0.344 176.442 176.094 0.007 0.000 1.049 378 V CA -0.126 62.194 62.300 0.033 0.000 0.896 378 V CB 0.777 32.637 31.823 0.062 0.000 1.025 378 V HN 0.175 nan 8.190 nan 0.000 0.475 379 D N 4.549 124.954 120.400 0.008 0.000 2.556 379 D HA 0.162 4.802 4.640 -0.000 0.000 0.260 379 D C 1.825 178.084 176.300 -0.069 0.000 1.329 379 D CA 0.802 54.791 54.000 -0.020 0.000 1.088 379 D CB 0.214 41.010 40.800 -0.007 0.000 0.925 379 D HN 0.501 nan 8.370 nan 0.000 0.247 380 A N -0.003 122.748 122.820 -0.115 0.000 1.975 380 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 380 A C 0.848 178.049 177.584 -0.638 0.000 1.170 380 A CA 1.117 52.954 52.037 -0.334 0.000 0.656 380 A CB -0.220 18.594 19.000 -0.309 0.000 0.821 380 A HN 0.349 nan 8.150 nan 0.000 0.449 381 H N -2.494 116.547 119.070 -0.047 0.000 2.960 381 H HA 0.486 5.042 4.556 -0.000 0.000 0.338 381 H C -1.022 174.308 175.328 0.005 0.000 1.261 381 H CA -0.287 55.705 56.048 -0.093 0.000 1.136 381 H CB 1.130 30.836 29.762 -0.093 0.000 1.875 381 H HN 0.598 nan 8.280 nan 0.000 0.550 382 H N -0.919 118.256 119.070 0.174 0.000 2.754 382 H HA 0.735 5.291 4.556 -0.000 0.000 0.352 382 H C -0.362 175.020 175.328 0.089 0.000 1.213 382 H CA -0.725 55.376 56.048 0.087 0.000 1.244 382 H CB 0.411 30.170 29.762 -0.005 0.000 1.843 382 H HN 0.724 nan 8.280 nan 0.000 0.587 383 A N 0.778 123.794 122.820 0.326 0.000 2.466 383 A HA 0.276 4.596 4.320 -0.000 0.000 0.238 383 A C 0.174 177.910 177.584 0.253 0.000 1.074 383 A CA -0.469 51.680 52.037 0.186 0.000 0.774 383 A CB -0.596 18.423 19.000 0.031 0.000 1.015 383 A HN 0.646 nan 8.150 nan 0.000 0.498 384 I N 2.215 122.870 120.570 0.141 0.000 2.494 384 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 384 I C 0.236 176.432 176.117 0.132 0.000 1.106 384 I CA 0.614 61.985 61.300 0.118 0.000 1.369 384 I CB -0.586 37.451 38.000 0.062 0.000 1.410 384 I HN 0.573 nan 8.210 nan 0.000 0.523 385 I N 5.063 125.717 120.570 0.141 0.000 3.174 385 I HA 0.717 4.887 4.170 -0.000 0.000 0.313 385 I C -2.894 173.222 176.117 -0.002 0.000 1.155 385 I CA -2.905 58.425 61.300 0.050 0.000 0.977 385 I CB 2.059 40.090 38.000 0.052 0.000 1.248 385 I HN 0.119 nan 8.210 nan 0.000 0.453 386 P HA 0.202 nan 4.420 nan 0.000 0.271 386 P C -0.440 176.866 177.300 0.010 0.000 1.218 386 P CA -0.126 62.945 63.100 -0.050 0.000 0.780 386 P CB 0.700 32.315 31.700 -0.142 0.000 0.901 387 T N -1.332 113.297 114.554 0.125 0.000 2.770 387 T HA 0.453 4.803 4.350 -0.000 0.000 0.281 387 T C 0.950 175.704 174.700 0.090 0.000 0.981 387 T CA -0.418 61.746 62.100 0.106 0.000 0.955 387 T CB 0.394 69.335 68.868 0.123 0.000 1.060 387 T HN 0.284 nan 8.240 nan 0.000 0.531 388 A N -0.223 122.636 122.820 0.065 0.000 2.370 388 A HA 0.274 4.594 4.320 -0.000 0.000 0.238 388 A C 1.084 178.715 177.584 0.078 0.000 1.289 388 A CA -0.445 51.627 52.037 0.058 0.000 0.885 388 A CB -0.563 18.452 19.000 0.025 0.000 0.961 388 A HN 0.724 nan 8.150 nan 0.000 0.499 389 R N 1.173 121.739 120.500 0.110 0.000 2.343 389 R HA 0.143 4.483 4.340 -0.000 0.000 0.326 389 R C 0.676 177.113 176.300 0.229 0.000 1.055 389 R CA 0.719 56.892 56.100 0.122 0.000 0.961 389 R CB 0.323 30.676 30.300 0.089 0.000 0.978 389 R HN 0.436 nan 8.270 nan 0.000 0.443 390 S N 0.730 116.507 115.700 0.128 0.000 2.523 390 S HA 0.010 4.480 4.470 -0.000 0.000 0.217 390 S C 0.361 174.966 174.600 0.007 0.000 0.996 390 S CA -0.381 57.838 58.200 0.032 0.000 0.921 390 S CB 0.348 63.535 63.200 -0.022 0.000 0.829 390 S HN 0.521 nan 8.310 nan 0.000 0.495 391 S N 2.051 117.799 115.700 0.081 0.000 2.564 391 S HA 0.670 5.140 4.470 -0.000 0.000 0.278 391 S C 0.329 175.005 174.600 0.127 0.000 1.333 391 S CA -0.444 57.792 58.200 0.060 0.000 1.048 391 S CB 0.724 63.949 63.200 0.041 0.000 0.900 391 S HN 0.649 nan 8.310 nan 0.000 0.505 392 A N 3.387 126.246 122.820 0.066 0.000 2.488 392 A HA 0.555 4.875 4.320 -0.000 0.000 0.249 392 A C 0.109 177.722 177.584 0.048 0.000 1.083 392 A CA -0.393 51.687 52.037 0.072 0.000 0.768 392 A CB -0.398 18.608 19.000 0.011 0.000 1.017 392 A HN 0.841 nan 8.150 nan 0.000 0.496 393 I N 2.073 122.658 120.570 0.024 0.000 2.647 393 I HA 0.235 4.405 4.170 -0.000 0.000 0.295 393 I C -0.924 175.114 176.117 -0.131 0.000 1.078 393 I CA -1.029 60.215 61.300 -0.092 0.000 1.048 393 I CB 2.379 40.246 38.000 -0.221 0.000 1.239 393 I HN 0.549 nan 8.210 nan 0.000 0.421 394 N N 6.105 124.721 118.700 -0.139 0.000 2.426 394 N HA 0.547 5.287 4.740 -0.000 0.000 0.257 394 N C -0.853 174.526 175.510 -0.218 0.000 1.002 394 N CA -0.238 52.732 53.050 -0.134 0.000 0.942 394 N CB 1.244 39.685 38.487 -0.076 0.000 1.112 394 N HN 0.390 nan 8.380 nan 0.000 0.499 395 L N 0.432 121.524 121.223 -0.218 0.000 2.334 395 L HA 0.549 4.889 4.340 -0.000 0.000 0.270 395 L C 1.214 178.004 176.870 -0.133 0.000 1.018 395 L CA -1.025 53.670 54.840 -0.242 0.000 0.811 395 L CB 1.303 43.203 42.059 -0.265 0.000 1.271 395 L HN 0.455 nan 8.230 nan 0.000 0.443 396 T N -3.436 111.056 114.554 -0.103 0.000 2.788 396 T HA 0.079 4.429 4.350 -0.000 0.000 0.287 396 T C 0.933 175.584 174.700 -0.081 0.000 1.007 396 T CA -0.361 61.696 62.100 -0.071 0.000 1.005 396 T CB 1.259 70.097 68.868 -0.050 0.000 1.012 396 T HN 0.798 nan 8.240 nan 0.000 0.530 397 E N 0.998 121.152 120.200 -0.077 0.000 2.065 397 E HA -0.312 4.038 4.350 -0.000 0.000 0.201 397 E C 1.756 178.272 176.600 -0.141 0.000 1.016 397 E CA 1.981 58.323 56.400 -0.097 0.000 0.818 397 E CB -0.184 29.465 29.700 -0.085 0.000 0.749 397 E HN 0.656 nan 8.360 nan 0.000 0.453 398 N N 0.432 119.054 118.700 -0.131 0.000 2.188 398 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 398 N C 1.609 177.048 175.510 -0.118 0.000 1.018 398 N CA 1.281 54.236 53.050 -0.158 0.000 0.858 398 N CB -0.215 38.207 38.487 -0.110 0.000 0.989 398 N HN 0.353 nan 8.380 nan 0.000 0.426 399 E N 0.876 121.032 120.200 -0.073 0.000 2.058 399 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 399 E C 1.946 178.533 176.600 -0.023 0.000 0.997 399 E CA 1.242 57.619 56.400 -0.038 0.000 0.801 399 E CB -0.117 29.549 29.700 -0.056 0.000 0.746 399 E HN 0.350 nan 8.360 nan 0.000 0.450 400 A N 1.540 124.325 122.820 -0.059 0.000 1.902 400 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 400 A C 1.965 179.555 177.584 0.011 0.000 1.181 400 A CA 1.569 53.597 52.037 -0.015 0.000 0.623 400 A CB -0.295 18.679 19.000 -0.044 0.000 0.818 400 A HN 0.046 nan 8.150 nan 0.000 0.443 401 K N -0.610 119.710 120.400 -0.133 0.000 2.057 401 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 401 K C 1.868 178.437 176.600 -0.052 0.000 1.050 401 K CA 1.342 57.475 56.287 -0.257 0.000 0.935 401 K CB -0.281 31.687 32.500 -0.887 0.000 0.715 401 K HN 0.295 nan 8.250 nan 0.000 0.439 402 V N 0.388 120.287 119.914 -0.025 0.000 2.307 402 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 402 V C 1.968 178.133 176.094 0.119 0.000 1.045 402 V CA 1.593 63.927 62.300 0.057 0.000 1.024 402 V CB -0.490 31.347 31.823 0.024 0.000 0.651 402 V HN 0.277 nan 8.190 nan 0.000 0.449 403 Y N 1.625 121.940 120.300 0.026 0.000 2.165 403 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 403 Y C 2.673 178.634 175.900 0.101 0.000 1.155 403 Y CA 2.276 60.409 58.100 0.055 0.000 1.164 403 Y CB -0.355 38.117 38.460 0.020 0.000 0.978 403 Y HN 0.311 nan 8.280 nan 0.000 0.513 404 N N 0.633 119.462 118.700 0.215 0.000 2.120 404 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 404 N C 1.875 177.468 175.510 0.139 0.000 1.024 404 N CA 1.819 54.972 53.050 0.172 0.000 0.852 404 N CB -0.388 38.217 38.487 0.197 0.000 1.003 404 N HN 0.521 nan 8.380 nan 0.000 0.424 405 L N 0.710 122.051 121.223 0.197 0.000 2.017 405 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 405 L C 2.518 179.583 176.870 0.326 0.000 1.073 405 L CA 0.885 55.901 54.840 0.294 0.000 0.745 405 L CB -0.376 41.865 42.059 0.304 0.000 0.894 405 L HN 0.163 nan 8.230 nan 0.000 0.432 406 I N -0.208 120.479 120.570 0.195 0.000 2.127 406 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 406 I C 2.794 178.905 176.117 -0.010 0.000 1.075 406 I CA 1.390 62.776 61.300 0.143 0.000 1.334 406 I CB -0.441 37.554 38.000 -0.008 0.000 1.040 406 I HN 0.228 nan 8.210 nan 0.000 0.405 407 A N 0.489 123.195 122.820 -0.190 0.000 1.877 407 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 407 A C 2.441 180.074 177.584 0.083 0.000 1.186 407 A CA 1.723 53.686 52.037 -0.124 0.000 0.620 407 A CB -0.666 18.195 19.000 -0.232 0.000 0.822 407 A HN 0.342 nan 8.150 nan 0.000 0.443 408 R N -0.882 119.670 120.500 0.086 0.000 2.091 408 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 408 R C 2.362 178.700 176.300 0.064 0.000 1.136 408 R CA 1.965 58.134 56.100 0.114 0.000 0.959 408 R CB -0.246 30.135 30.300 0.136 0.000 0.856 408 R HN 0.576 nan 8.270 nan 0.000 0.437 409 Q N -0.706 119.079 119.800 -0.026 0.000 2.124 409 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 409 Q C 1.673 177.575 176.000 -0.164 0.000 0.977 409 Q CA 1.750 57.403 55.803 -0.249 0.000 0.850 409 Q CB -0.356 27.964 28.738 -0.697 0.000 0.901 409 Q HN 0.475 nan 8.270 nan 0.000 0.429 410 Y N 0.072 120.287 120.300 -0.140 0.000 2.145 410 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 410 Y C 1.525 177.466 175.900 0.069 0.000 1.145 410 Y CA 1.785 59.850 58.100 -0.057 0.000 1.148 410 Y CB -0.182 38.300 38.460 0.036 0.000 0.981 410 Y HN 0.121 nan 8.280 nan 0.000 0.507 411 L N -0.497 120.842 121.223 0.193 0.000 2.201 411 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 411 L C 2.463 179.414 176.870 0.134 0.000 1.105 411 L CA 1.284 56.275 54.840 0.251 0.000 0.775 411 L CB -0.527 41.680 42.059 0.247 0.000 0.913 411 L HN 0.327 nan 8.230 nan 0.000 0.440 412 M N -0.855 118.749 119.600 0.008 0.000 2.267 412 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 412 M C 2.081 178.292 176.300 -0.149 0.000 1.063 412 M CA 1.327 56.614 55.300 -0.022 0.000 1.090 412 M CB -0.234 32.288 32.600 -0.130 0.000 1.392 412 M HN 0.230 nan 8.290 nan 0.000 0.422 413 Q N -0.580 119.011 119.800 -0.348 0.000 2.364 413 Q HA -0.048 4.292 4.340 -0.000 0.000 0.207 413 Q C 1.025 176.669 176.000 -0.594 0.000 0.970 413 Q CA 1.306 56.761 55.803 -0.580 0.000 0.888 413 Q CB -0.286 27.911 28.738 -0.901 0.000 0.951 413 Q HN 0.565 nan 8.270 nan 0.000 0.469 414 F N -1.399 118.551 119.950 -0.000 0.000 2.639 414 F HA 0.175 4.702 4.527 -0.000 0.000 0.302 414 F C 0.448 176.288 175.800 0.068 0.000 1.097 414 F CA -0.620 57.415 58.000 0.059 0.000 1.294 414 F CB 0.475 39.495 39.000 0.033 0.000 1.027 414 F HN -0.172 nan 8.300 nan 0.000 0.550 415 C N 1.393 120.784 119.300 0.152 0.000 2.391 415 C HA 0.534 4.994 4.460 -0.000 0.000 0.339 415 C C -1.812 173.268 174.990 0.150 0.000 1.205 415 C CA -1.629 57.490 59.018 0.170 0.000 1.937 415 C CB 1.254 29.126 27.740 0.219 0.000 2.341 415 C HN 0.073 nan 8.230 nan 0.000 0.516 416 P HA 0.179 nan 4.420 nan 0.000 0.273 416 P C -0.646 176.763 177.300 0.180 0.000 1.250 416 P CA -0.203 62.970 63.100 0.122 0.000 0.793 416 P CB 0.355 32.107 31.700 0.086 0.000 1.011 417 D N -0.559 119.939 120.400 0.163 0.000 2.478 417 D HA 0.169 4.809 4.640 -0.000 0.000 0.234 417 D C 0.375 176.778 176.300 0.173 0.000 1.154 417 D CA 0.573 54.707 54.000 0.223 0.000 0.874 417 D CB 0.059 40.947 40.800 0.146 0.000 1.198 417 D HN 0.344 nan 8.370 nan 0.000 0.455 418 A N 1.560 124.497 122.820 0.194 0.000 2.425 418 A HA 0.433 4.753 4.320 -0.000 0.000 0.249 418 A C -0.295 177.283 177.584 -0.009 0.000 1.084 418 A CA -0.453 51.543 52.037 -0.070 0.000 0.781 418 A CB 0.577 19.438 19.000 -0.232 0.000 1.019 418 A HN 0.309 nan 8.150 nan 0.000 0.490 419 V N 2.664 122.489 119.914 -0.149 0.000 2.487 419 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 419 V C -0.813 175.170 176.094 -0.186 0.000 1.028 419 V CA -0.235 62.034 62.300 -0.052 0.000 0.860 419 V CB 0.958 32.771 31.823 -0.017 0.000 0.991 419 V HN 0.734 nan 8.190 nan 0.000 0.427 420 F N 3.149 123.107 119.950 0.014 0.000 2.432 420 F HA 0.669 5.196 4.527 -0.000 0.000 0.329 420 F C 0.710 176.526 175.800 0.027 0.000 1.076 420 F CA -0.660 57.350 58.000 0.017 0.000 1.018 420 F CB 1.593 40.594 39.000 0.002 0.000 1.201 420 F HN 0.232 nan 8.300 nan 0.000 0.489 421 R N 1.799 122.442 120.500 0.239 0.000 2.393 421 R HA 0.324 4.664 4.340 -0.000 0.000 0.315 421 R C -0.967 175.431 176.300 0.163 0.000 0.952 421 R CA -0.872 55.324 56.100 0.160 0.000 0.842 421 R CB 1.796 32.165 30.300 0.115 0.000 1.163 421 R HN 0.501 nan 8.270 nan 0.000 0.450 422 K N 3.477 123.931 120.400 0.090 0.000 2.367 422 K HA 0.261 4.581 4.320 -0.000 0.000 0.263 422 K C -1.172 175.420 176.600 -0.014 0.000 1.000 422 K CA -0.445 55.868 56.287 0.042 0.000 0.891 422 K CB 1.327 33.830 32.500 0.005 0.000 1.117 422 K HN 0.549 nan 8.250 nan 0.000 0.443 423 C N 4.661 123.952 119.300 -0.014 0.000 2.341 423 C HA 0.663 5.123 4.460 -0.000 0.000 0.338 423 C C -0.674 174.247 174.990 -0.115 0.000 1.257 423 C CA -0.362 58.584 59.018 -0.119 0.000 1.883 423 C CB 0.374 28.065 27.740 -0.083 0.000 2.334 423 C HN 0.582 nan 8.230 nan 0.000 0.524 424 V N 7.689 127.485 119.914 -0.196 0.000 2.483 424 V HA 0.479 4.599 4.120 -0.000 0.000 0.297 424 V C -0.289 175.743 176.094 -0.103 0.000 1.027 424 V CA -0.265 61.973 62.300 -0.104 0.000 0.855 424 V CB 1.570 33.352 31.823 -0.068 0.000 0.995 424 V HN 0.764 nan 8.190 nan 0.000 0.424 425 I N 3.952 124.532 120.570 0.016 0.000 2.378 425 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 425 I C 0.051 176.261 176.117 0.154 0.000 0.992 425 I CA -0.323 61.046 61.300 0.115 0.000 1.154 425 I CB 1.658 39.757 38.000 0.164 0.000 1.315 425 I HN 0.602 nan 8.210 nan 0.000 0.448 426 E N 6.963 127.250 120.200 0.146 0.000 2.133 426 E HA 0.562 4.912 4.350 -0.000 0.000 0.274 426 E C -1.046 175.662 176.600 0.179 0.000 0.930 426 E CA -0.563 55.928 56.400 0.151 0.000 0.770 426 E CB 2.103 31.866 29.700 0.105 0.000 1.104 426 E HN 0.417 nan 8.360 nan 0.000 0.403 427 L N 1.847 123.204 121.223 0.223 0.000 2.304 427 L HA 0.507 4.847 4.340 -0.000 0.000 0.268 427 L C -0.461 176.548 176.870 0.231 0.000 1.010 427 L CA -0.737 54.229 54.840 0.210 0.000 0.813 427 L CB 1.436 43.609 42.059 0.190 0.000 1.315 427 L HN 0.421 nan 8.230 nan 0.000 0.445 428 D N 0.996 121.501 120.400 0.175 0.000 2.479 428 D HA 0.533 5.172 4.640 -0.000 0.000 0.246 428 D C -1.354 175.015 176.300 0.115 0.000 1.336 428 D CA -0.080 54.023 54.000 0.172 0.000 0.967 428 D CB 0.932 41.802 40.800 0.116 0.000 1.275 428 D HN 0.263 nan 8.370 nan 0.000 0.577 429 I N 2.595 123.260 120.570 0.157 0.000 2.478 429 I HA 0.501 4.671 4.170 -0.000 0.000 0.287 429 I C 0.591 176.743 176.117 0.058 0.000 1.042 429 I CA -1.127 60.175 61.300 0.003 0.000 1.067 429 I CB 2.109 39.921 38.000 -0.312 0.000 1.233 429 I HN 0.597 nan 8.210 nan 0.000 0.431 430 A N 5.655 128.476 122.820 0.003 0.000 2.665 430 A HA -0.262 4.058 4.320 -0.000 0.000 0.301 430 A C 1.359 178.967 177.584 0.041 0.000 1.509 430 A CA 1.232 53.268 52.037 -0.002 0.000 0.789 430 A CB -1.136 17.832 19.000 -0.054 0.000 1.024 430 A HN 0.854 nan 8.150 nan 0.000 0.460 431 K N -4.305 116.141 120.400 0.076 0.000 3.547 431 K HA -0.200 4.120 4.320 -0.000 0.000 0.309 431 K C 0.696 177.390 176.600 0.156 0.000 1.324 431 K CA 1.685 58.031 56.287 0.100 0.000 0.988 431 K CB -2.346 30.196 32.500 0.070 0.000 1.261 431 K HN 1.963 nan 8.250 nan 0.000 0.444 432 G N 1.155 110.088 108.800 0.222 0.000 2.503 432 G HA2 0.299 4.259 3.960 -0.000 0.000 0.257 432 G HA3 0.299 4.259 3.960 -0.000 0.000 0.257 432 G C -0.468 174.657 174.900 0.375 0.000 1.214 432 G CA -0.399 44.894 45.100 0.321 0.000 0.839 432 G HN 0.032 nan 8.290 nan 0.000 0.559 433 K N 0.793 121.340 120.400 0.245 0.000 2.206 433 K HA 0.488 4.808 4.320 -0.000 0.000 0.264 433 K C -1.520 175.101 176.600 0.035 0.000 0.967 433 K CA -0.456 55.944 56.287 0.188 0.000 0.844 433 K CB 0.906 33.458 32.500 0.088 0.000 1.099 433 K HN 0.321 nan 8.250 nan 0.000 0.441 434 F N 2.531 122.582 119.950 0.168 0.000 2.556 434 F HA 0.323 4.849 4.527 -0.000 0.000 0.314 434 F C -0.250 175.626 175.800 0.126 0.000 1.106 434 F CA -0.972 57.126 58.000 0.163 0.000 0.911 434 F CB 2.112 41.196 39.000 0.139 0.000 1.190 434 F HN 0.179 nan 8.300 nan 0.000 0.448 435 V N 0.747 120.819 119.914 0.263 0.000 2.588 435 V HA 0.973 5.093 4.120 -0.000 0.000 0.304 435 V C -1.000 175.219 176.094 0.208 0.000 1.042 435 V CA -0.726 61.692 62.300 0.196 0.000 0.877 435 V CB 1.242 33.128 31.823 0.104 0.000 0.996 435 V HN 0.960 nan 8.190 nan 0.000 0.425 436 A N 4.751 127.704 122.820 0.223 0.000 2.317 436 A HA 0.889 5.209 4.320 -0.000 0.000 0.327 436 A C -0.241 177.416 177.584 0.122 0.000 1.178 436 A CA -0.818 51.354 52.037 0.226 0.000 0.817 436 A CB 1.181 20.407 19.000 0.377 0.000 1.189 436 A HN 0.943 nan 8.150 nan 0.000 0.489 437 K N 0.556 121.015 120.400 0.098 0.000 2.422 437 K HA 0.737 5.057 4.320 -0.000 0.000 0.251 437 K C -1.045 175.593 176.600 0.063 0.000 0.933 437 K CA -0.529 55.789 56.287 0.051 0.000 0.798 437 K CB 2.642 35.159 32.500 0.028 0.000 1.238 437 K HN 0.884 nan 8.250 nan 0.000 0.428 438 A N 2.504 125.358 122.820 0.057 0.000 2.488 438 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 438 A C -1.411 176.216 177.584 0.072 0.000 1.044 438 A CA -0.692 51.412 52.037 0.112 0.000 0.693 438 A CB 1.579 20.726 19.000 0.245 0.000 1.272 438 A HN 0.734 nan 8.150 nan 0.000 0.402 439 R N 1.735 122.197 120.500 -0.063 0.000 2.532 439 R HA 0.710 5.050 4.340 -0.000 0.000 0.297 439 R C -2.152 173.980 176.300 -0.280 0.000 0.984 439 R CA -0.330 55.731 56.100 -0.066 0.000 0.884 439 R CB 1.016 31.233 30.300 -0.138 0.000 1.182 439 R HN 0.609 nan 8.270 nan 0.000 0.442 440 F N 3.449 123.508 119.950 0.182 0.000 2.569 440 F HA 0.318 4.845 4.527 -0.000 0.000 0.312 440 F C -0.431 175.450 175.800 0.134 0.000 1.109 440 F CA -1.012 57.083 58.000 0.157 0.000 0.919 440 F CB 1.689 40.725 39.000 0.060 0.000 1.211 440 F HN 0.306 nan 8.300 nan 0.000 0.446 441 L N 3.203 124.500 121.223 0.124 0.000 2.513 441 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 441 L C 0.449 177.216 176.870 -0.172 0.000 1.187 441 L CA 0.649 55.244 54.840 -0.407 0.000 0.895 441 L CB 0.354 42.159 42.059 -0.423 0.000 1.147 441 L HN 0.815 nan 8.230 nan 0.000 0.483 442 A N 4.211 126.893 122.820 -0.231 0.000 1.983 442 A HA 0.258 4.578 4.320 -0.000 0.000 0.207 442 A C 0.529 178.030 177.584 -0.138 0.000 1.412 442 A CA 0.029 51.998 52.037 -0.112 0.000 0.750 442 A CB -0.122 18.849 19.000 -0.049 0.000 1.047 442 A HN 0.701 nan 8.150 nan 0.000 0.504 443 E N -0.192 119.902 120.200 -0.176 0.000 2.129 443 E HA 0.560 4.910 4.350 -0.000 0.000 0.268 443 E C 0.543 177.012 176.600 -0.218 0.000 0.900 443 E CA -0.008 56.304 56.400 -0.147 0.000 0.755 443 E CB 1.661 31.309 29.700 -0.086 0.000 1.117 443 E HN 0.401 nan 8.360 nan 0.000 0.410 444 A N 3.865 126.565 122.820 -0.201 0.000 1.933 444 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 444 A C 1.540 178.954 177.584 -0.282 0.000 1.175 444 A CA 1.428 53.305 52.037 -0.266 0.000 0.628 444 A CB -1.053 17.829 19.000 -0.196 0.000 0.814 444 A HN 0.925 nan 8.150 nan 0.000 0.444 445 G N -0.319 108.394 108.800 -0.146 0.000 2.661 445 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.327 445 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.327 445 G C 1.058 175.933 174.900 -0.040 0.000 1.320 445 G CA 1.307 46.376 45.100 -0.051 0.000 0.997 445 G HN 1.281 nan 8.290 nan 0.000 0.543 446 W N 1.248 122.543 121.300 -0.009 0.000 2.387 446 W HA -0.012 4.648 4.660 -0.000 0.000 0.272 446 W C 2.091 178.608 176.519 -0.003 0.000 1.224 446 W CA 1.147 58.489 57.345 -0.006 0.000 1.210 446 W CB -0.697 28.751 29.460 -0.020 0.000 1.125 446 W HN 0.473 nan 8.180 nan 0.000 0.572 447 R N 0.607 120.614 120.500 -0.823 0.000 2.241 447 R HA -0.071 4.269 4.340 -0.000 0.000 0.224 447 R C 2.180 178.298 176.300 -0.304 0.000 1.101 447 R CA 1.732 57.346 56.100 -0.811 0.000 0.995 447 R CB -0.502 29.268 30.300 -0.884 0.000 0.870 447 R HN 0.132 nan 8.270 nan 0.000 0.463 448 T N 1.524 115.974 114.554 -0.174 0.000 2.833 448 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 448 T C 1.657 176.354 174.700 -0.006 0.000 1.054 448 T CA 0.865 62.923 62.100 -0.070 0.000 1.135 448 T CB -0.023 68.826 68.868 -0.031 0.000 0.869 448 T HN 0.219 nan 8.240 nan 0.000 0.466 449 L N 0.250 121.499 121.223 0.043 0.000 2.551 449 L HA 0.175 4.515 4.340 -0.000 0.000 0.228 449 L C 0.720 177.642 176.870 0.086 0.000 1.153 449 L CA 0.327 55.224 54.840 0.095 0.000 0.851 449 L CB -0.570 41.585 42.059 0.160 0.000 0.959 449 L HN 0.232 nan 8.230 nan 0.000 0.451 450 L N -0.660 120.587 121.223 0.041 0.000 2.399 450 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 450 L C 1.108 177.992 176.870 0.024 0.000 1.089 450 L CA -0.557 54.308 54.840 0.042 0.000 0.802 450 L CB 0.794 42.854 42.059 0.003 0.000 1.180 450 L HN -0.061 nan 8.230 nan 0.000 0.454 451 G N -0.240 108.580 108.800 0.033 0.000 2.699 451 G HA2 0.108 4.068 3.960 -0.000 0.000 0.246 451 G HA3 0.108 4.068 3.960 -0.000 0.000 0.246 451 G C 0.974 175.877 174.900 0.005 0.000 1.219 451 G CA 0.186 45.301 45.100 0.024 0.000 0.866 451 G HN 0.801 nan 8.290 nan 0.000 0.572 452 S N -0.284 115.419 115.700 0.005 0.000 2.387 452 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 452 S C 1.993 176.592 174.600 -0.001 0.000 1.026 452 S CA 1.440 59.638 58.200 -0.003 0.000 0.972 452 S CB -0.225 62.977 63.200 0.003 0.000 0.814 452 S HN 0.669 nan 8.310 nan 0.000 0.477 453 K N 1.414 121.818 120.400 0.006 0.000 2.026 453 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 453 K C 2.146 178.749 176.600 0.005 0.000 1.048 453 K CA 1.605 57.897 56.287 0.009 0.000 0.929 453 K CB -0.207 32.300 32.500 0.010 0.000 0.713 453 K HN 0.517 nan 8.250 nan 0.000 0.439 454 E N 0.132 120.334 120.200 0.004 0.000 2.204 454 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 454 E C 2.142 178.735 176.600 -0.013 0.000 0.989 454 E CA 0.462 56.867 56.400 0.008 0.000 0.824 454 E CB -0.024 29.689 29.700 0.023 0.000 0.756 454 E HN 0.254 nan 8.360 nan 0.000 0.477 455 R N 1.335 121.811 120.500 -0.041 0.000 2.081 455 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 455 R C 0.742 177.008 176.300 -0.057 0.000 1.131 455 R CA 1.505 57.546 56.100 -0.097 0.000 0.960 455 R CB 0.024 30.263 30.300 -0.102 0.000 0.856 455 R HN 0.082 nan 8.270 nan 0.000 0.436 456 D N 0.484 120.875 120.400 -0.014 0.000 2.340 456 D HA -0.078 4.562 4.640 -0.000 0.000 0.220 456 D C 1.286 177.601 176.300 0.026 0.000 1.039 456 D CA 0.439 54.450 54.000 0.018 0.000 0.866 456 D CB 0.097 40.917 40.800 0.033 0.000 0.913 456 D HN 0.606 nan 8.370 nan 0.000 0.523 457 E N 0.960 121.173 120.200 0.021 0.000 2.516 457 E HA -0.114 4.236 4.350 -0.000 0.000 0.199 457 E C 0.828 177.428 176.600 -0.000 0.000 1.069 457 E CA 0.704 57.111 56.400 0.012 0.000 0.876 457 E CB 0.057 29.765 29.700 0.014 0.000 0.843 457 E HN 0.071 nan 8.360 nan 0.000 0.530 458 E N 0.780 120.996 120.200 0.026 0.000 2.481 458 E HA 0.094 4.444 4.350 -0.000 0.000 0.198 458 E C -0.301 176.255 176.600 -0.074 0.000 1.027 458 E CA -0.139 56.238 56.400 -0.038 0.000 0.900 458 E CB 0.121 29.770 29.700 -0.084 0.000 0.993 458 E HN 0.230 nan 8.360 nan 0.000 0.482 459 N N 2.221 120.883 118.700 -0.064 0.000 2.492 459 N HA 0.093 4.832 4.740 -0.000 0.000 0.262 459 N C -0.686 174.602 175.510 -0.370 0.000 1.202 459 N CA 0.493 53.361 53.050 -0.303 0.000 0.926 459 N CB 0.740 39.049 38.487 -0.296 0.000 1.078 459 N HN 0.005 nan 8.380 nan 0.000 0.454 460 D N -0.278 119.798 120.400 -0.540 0.000 2.970 460 D HA 0.600 5.240 4.640 -0.000 0.000 0.230 460 D C -0.198 175.950 176.300 -0.253 0.000 1.276 460 D CA -0.112 53.709 54.000 -0.298 0.000 0.910 460 D CB 0.923 41.614 40.800 -0.182 0.000 1.590 460 D HN 0.653 nan 8.370 nan 0.000 0.551 461 G N 1.488 110.243 108.800 -0.076 0.000 2.655 461 G HA2 0.167 4.127 3.960 -0.000 0.000 0.680 461 G HA3 0.167 4.127 3.960 -0.000 0.000 0.680 461 G C -0.314 174.732 174.900 0.243 0.000 1.302 461 G CA -0.425 44.721 45.100 0.076 0.000 0.872 461 G HN 0.908 nan 8.290 nan 0.000 0.540 462 T N -0.497 114.220 114.554 0.271 0.000 2.829 462 T HA 0.710 5.060 4.350 -0.000 0.000 0.282 462 T C -2.395 172.469 174.700 0.274 0.000 0.990 462 T CA -1.396 60.885 62.100 0.301 0.000 1.028 462 T CB 1.863 70.843 68.868 0.186 0.000 0.951 462 T HN 0.526 nan 8.240 nan 0.000 0.460 463 P HA 0.162 nan 4.420 nan 0.000 0.264 463 P C -0.642 176.645 177.300 -0.021 0.000 1.183 463 P CA -0.079 62.963 63.100 -0.096 0.000 0.763 463 P CB 0.290 31.754 31.700 -0.394 0.000 0.807 464 L N 5.466 126.672 121.223 -0.028 0.000 2.322 464 L HA 0.467 4.807 4.340 -0.000 0.000 0.279 464 L C -1.567 175.224 176.870 -0.132 0.000 1.036 464 L CA -2.119 52.641 54.840 -0.134 0.000 0.807 464 L CB 0.952 42.918 42.059 -0.156 0.000 1.226 464 L HN 0.303 nan 8.230 nan 0.000 0.433 465 P HA 0.094 nan 4.420 nan 0.000 0.272 465 P C -0.762 176.459 177.300 -0.132 0.000 1.230 465 P CA -0.364 62.650 63.100 -0.143 0.000 0.788 465 P CB 1.016 32.643 31.700 -0.122 0.000 0.949 466 V N 2.449 122.271 119.914 -0.155 0.000 2.408 466 V HA 0.202 4.322 4.120 -0.000 0.000 0.267 466 V C 0.899 176.723 176.094 -0.451 0.000 1.047 466 V CA -0.094 61.992 62.300 -0.356 0.000 0.937 466 V CB 0.651 32.328 31.823 -0.243 0.000 0.999 466 V HN 0.471 nan 8.190 nan 0.000 0.472 467 V N 2.665 122.139 119.914 -0.733 0.000 3.182 467 V HA 1.102 5.222 4.120 -0.000 0.000 0.311 467 V C -0.141 175.653 176.094 -0.499 0.000 1.221 467 V CA -0.797 61.250 62.300 -0.421 0.000 1.060 467 V CB 1.954 33.696 31.823 -0.134 0.000 1.164 467 V HN 0.956 nan 8.190 nan 0.000 0.466 468 A N 0.257 122.970 122.820 -0.179 0.000 2.539 468 A HA 0.750 5.070 4.320 -0.000 0.000 0.296 468 A C -0.492 177.106 177.584 0.024 0.000 1.073 468 A CA -0.911 51.083 52.037 -0.071 0.000 0.700 468 A CB 1.511 20.467 19.000 -0.073 0.000 1.296 468 A HN 1.066 nan 8.150 nan 0.000 0.405 469 K N 0.313 120.751 120.400 0.064 0.000 2.511 469 K HA 0.333 4.653 4.320 -0.000 0.000 0.280 469 K C 1.253 177.880 176.600 0.044 0.000 1.008 469 K CA 2.047 58.375 56.287 0.068 0.000 1.050 469 K CB -0.070 32.471 32.500 0.068 0.000 0.889 469 K HN 2.024 nan 8.250 nan 0.000 0.484 470 G N 2.774 111.603 108.800 0.047 0.000 2.195 470 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 470 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 470 G C -0.393 174.524 174.900 0.029 0.000 0.984 470 G CA 0.123 45.245 45.100 0.035 0.000 0.633 470 G HN 0.716 nan 8.290 nan 0.000 0.525 471 D N 0.978 121.396 120.400 0.029 0.000 2.455 471 D HA 0.410 5.050 4.640 -0.000 0.000 0.241 471 D C 0.570 176.889 176.300 0.031 0.000 1.138 471 D CA 0.336 54.350 54.000 0.024 0.000 0.877 471 D CB 0.876 41.687 40.800 0.019 0.000 1.187 471 D HN 0.536 nan 8.370 nan 0.000 0.451 472 E N 3.133 123.346 120.200 0.021 0.000 2.046 472 E HA 0.287 4.637 4.350 -0.000 0.000 0.279 472 E C -0.571 176.039 176.600 0.016 0.000 0.989 472 E CA -0.529 55.881 56.400 0.017 0.000 0.798 472 E CB 0.288 29.992 29.700 0.007 0.000 1.086 472 E HN 0.354 nan 8.360 nan 0.000 0.399 473 L N 3.213 124.449 121.223 0.021 0.000 2.544 473 L HA 0.515 4.855 4.340 -0.000 0.000 0.256 473 L C -0.309 176.547 176.870 -0.024 0.000 1.097 473 L CA -1.305 53.545 54.840 0.015 0.000 0.812 473 L CB 0.398 42.486 42.059 0.048 0.000 1.440 473 L HN 0.520 nan 8.230 nan 0.000 0.496 474 L N 0.173 121.369 121.223 -0.045 0.000 2.346 474 L HA 0.418 4.758 4.340 -0.000 0.000 0.276 474 L C -0.755 176.047 176.870 -0.113 0.000 1.006 474 L CA -0.220 54.579 54.840 -0.069 0.000 0.817 474 L CB 1.614 43.642 42.059 -0.051 0.000 1.272 474 L HN 0.642 nan 8.230 nan 0.000 0.421 475 C N 4.958 124.178 119.300 -0.133 0.000 2.227 475 C HA 0.297 4.757 4.460 -0.000 0.000 0.333 475 C C 1.505 176.428 174.990 -0.112 0.000 1.145 475 C CA -0.342 58.577 59.018 -0.164 0.000 1.643 475 C CB -0.946 26.658 27.740 -0.228 0.000 2.185 475 C HN 1.053 nan 8.230 nan 0.000 0.497 476 E N 2.729 122.878 120.200 -0.085 0.000 2.058 476 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 476 E C 0.526 177.088 176.600 -0.063 0.000 0.997 476 E CA 1.213 57.575 56.400 -0.064 0.000 0.801 476 E CB 0.204 29.873 29.700 -0.053 0.000 0.746 476 E HN 0.860 nan 8.360 nan 0.000 0.450 477 K N -1.550 118.825 120.400 -0.041 0.000 2.625 477 K HA 0.458 4.778 4.320 -0.000 0.000 0.284 477 K C -0.696 175.921 176.600 0.029 0.000 0.984 477 K CA -0.654 55.613 56.287 -0.034 0.000 0.865 477 K CB 1.306 33.766 32.500 -0.067 0.000 1.468 477 K HN 0.003 nan 8.250 nan 0.000 0.407 478 G N 0.270 109.072 108.800 0.004 0.000 2.461 478 G HA2 0.511 4.471 3.960 -0.000 0.000 0.329 478 G HA3 0.511 4.471 3.960 -0.000 0.000 0.329 478 G C -1.378 173.572 174.900 0.085 0.000 1.170 478 G CA -0.438 44.681 45.100 0.032 0.000 0.935 478 G HN 0.639 nan 8.290 nan 0.000 0.492 479 E N 0.039 120.304 120.200 0.109 0.000 2.291 479 E HA 0.332 4.682 4.350 -0.000 0.000 0.276 479 E C -1.363 175.295 176.600 0.097 0.000 0.896 479 E CA -0.617 55.851 56.400 0.114 0.000 0.774 479 E CB 2.455 32.278 29.700 0.205 0.000 1.227 479 E HN 0.217 nan 8.360 nan 0.000 0.413 480 V N 4.847 124.804 119.914 0.072 0.000 2.370 480 V HA 0.104 4.224 4.120 -0.000 0.000 0.257 480 V C 0.029 176.191 176.094 0.113 0.000 1.064 480 V CA -0.405 61.947 62.300 0.087 0.000 0.975 480 V CB 0.714 32.558 31.823 0.034 0.000 1.067 480 V HN 0.425 nan 8.190 nan 0.000 0.485 481 V N 6.020 126.009 119.914 0.125 0.000 2.389 481 V HA 0.239 4.358 4.120 -0.000 0.000 0.264 481 V C 0.621 176.761 176.094 0.077 0.000 1.049 481 V CA -0.657 61.692 62.300 0.081 0.000 0.932 481 V CB 0.605 32.455 31.823 0.046 0.000 1.011 481 V HN 0.952 nan 8.190 nan 0.000 0.475 482 E N 6.262 126.498 120.200 0.061 0.000 2.259 482 E HA 0.566 4.916 4.350 -0.000 0.000 0.281 482 E C -0.665 175.776 176.600 -0.265 0.000 1.027 482 E CA -0.746 55.638 56.400 -0.026 0.000 0.838 482 E CB 1.582 31.346 29.700 0.105 0.000 1.066 482 E HN 0.625 nan 8.360 nan 0.000 0.401 483 R N 2.209 122.354 120.500 -0.593 0.000 2.837 483 R HA 0.360 4.700 4.340 -0.000 0.000 0.271 483 R C -0.859 175.113 176.300 -0.546 0.000 0.993 483 R CA -1.072 54.623 56.100 -0.675 0.000 0.931 483 R CB 1.862 31.462 30.300 -1.166 0.000 1.206 483 R HN 0.509 nan 8.270 nan 0.000 0.474 484 Q N 0.374 120.060 119.800 -0.191 0.000 2.375 484 Q HA 0.277 4.617 4.340 -0.000 0.000 0.271 484 Q C -0.802 175.362 176.000 0.274 0.000 1.074 484 Q CA -0.618 55.218 55.803 0.056 0.000 0.808 484 Q CB 2.314 31.071 28.738 0.032 0.000 1.327 484 Q HN 0.689 nan 8.270 nan 0.000 0.441 485 T N -0.102 114.657 114.554 0.343 0.000 2.898 485 T HA 0.330 4.680 4.350 -0.000 0.000 0.301 485 T C -0.103 174.804 174.700 0.345 0.000 1.049 485 T CA -0.807 61.489 62.100 0.328 0.000 1.095 485 T CB 0.596 69.619 68.868 0.258 0.000 0.976 485 T HN 0.304 nan 8.240 nan 0.000 0.539 486 Q N 1.899 121.799 119.800 0.166 0.000 2.342 486 Q HA 0.436 4.776 4.340 -0.000 0.000 0.267 486 Q C -2.454 173.076 176.000 -0.783 0.000 1.038 486 Q CA -2.221 53.492 55.803 -0.150 0.000 0.832 486 Q CB 2.013 30.679 28.738 -0.119 0.000 1.323 486 Q HN 0.583 nan 8.270 nan 0.000 0.448 487 P HA 0.270 nan 4.420 nan 0.000 0.274 487 P C -2.460 174.428 177.300 -0.688 0.000 1.237 487 P CA -1.269 60.934 63.100 -1.494 0.000 0.793 487 P CB -0.317 30.732 31.700 -1.085 0.000 0.977 488 P HA 0.228 nan 4.420 nan 0.000 0.272 488 P C 0.137 177.187 177.300 -0.417 0.000 1.240 488 P CA -0.115 62.758 63.100 -0.379 0.000 0.791 488 P CB 0.516 32.024 31.700 -0.321 0.000 0.978 489 R N 0.981 121.282 120.500 -0.332 0.000 2.539 489 R HA 0.174 4.514 4.340 -0.000 0.000 0.275 489 R C 0.633 176.696 176.300 -0.396 0.000 1.077 489 R CA -0.480 55.428 56.100 -0.321 0.000 1.097 489 R CB 0.185 30.423 30.300 -0.103 0.000 1.018 489 R HN 0.612 nan 8.270 nan 0.000 0.483 490 H N 2.057 120.929 119.070 -0.329 0.000 2.948 490 H HA -0.063 4.492 4.556 -0.000 0.000 0.351 490 H C 0.362 175.696 175.328 0.009 0.000 1.079 490 H CA 0.704 56.607 56.048 -0.242 0.000 1.407 490 H CB 0.269 29.840 29.762 -0.318 0.000 1.373 490 H HN 0.339 nan 8.280 nan 0.000 0.605 491 F N 0.678 120.753 119.950 0.208 0.000 2.589 491 F HA -0.039 4.488 4.527 -0.000 0.000 0.352 491 F C 1.562 177.533 175.800 0.284 0.000 1.168 491 F CA 0.642 58.758 58.000 0.193 0.000 1.353 491 F CB 0.522 39.583 39.000 0.101 0.000 1.116 491 F HN 0.476 nan 8.300 nan 0.000 0.608 492 T N -2.432 112.364 114.554 0.403 0.000 2.883 492 T HA 0.241 4.591 4.350 -0.000 0.000 0.284 492 T C 0.649 175.449 174.700 0.167 0.000 1.041 492 T CA -0.885 61.331 62.100 0.192 0.000 1.007 492 T CB 1.361 70.244 68.868 0.026 0.000 1.220 492 T HN 0.489 nan 8.240 nan 0.000 0.552 493 D N 0.333 120.782 120.400 0.081 0.000 2.158 493 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 493 D C 2.218 178.548 176.300 0.050 0.000 0.995 493 D CA 1.697 55.729 54.000 0.055 0.000 0.846 493 D CB -0.352 40.454 40.800 0.009 0.000 0.941 493 D HN 0.694 nan 8.370 nan 0.000 0.456 494 A N 0.899 123.749 122.820 0.051 0.000 1.855 494 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 494 A C 2.431 180.076 177.584 0.101 0.000 1.191 494 A CA 2.578 54.644 52.037 0.050 0.000 0.613 494 A CB -0.946 18.072 19.000 0.031 0.000 0.829 494 A HN 0.370 nan 8.150 nan 0.000 0.442 495 T N -2.344 112.317 114.554 0.179 0.000 2.985 495 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 495 T C 1.737 176.651 174.700 0.357 0.000 1.076 495 T CA 1.281 63.554 62.100 0.290 0.000 1.135 495 T CB -0.333 68.731 68.868 0.327 0.000 0.890 495 T HN 0.135 nan 8.240 nan 0.000 0.480 496 L N 0.612 121.964 121.223 0.214 0.000 2.027 496 L HA 0.265 4.605 4.340 -0.000 0.000 0.206 496 L C 2.348 179.141 176.870 -0.128 0.000 1.074 496 L CA 1.414 56.134 54.840 -0.201 0.000 0.745 496 L CB -1.068 40.849 42.059 -0.235 0.000 0.898 496 L HN 0.306 nan 8.230 nan 0.000 0.433 497 L N -1.368 119.838 121.223 -0.028 0.000 2.056 497 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 497 L C 2.710 179.584 176.870 0.006 0.000 1.078 497 L CA 1.791 56.617 54.840 -0.023 0.000 0.749 497 L CB -0.563 41.489 42.059 -0.012 0.000 0.901 497 L HN 0.408 nan 8.230 nan 0.000 0.433 498 S N -0.794 114.937 115.700 0.052 0.000 2.365 498 S HA -0.275 4.195 4.470 -0.000 0.000 0.225 498 S C 2.137 176.814 174.600 0.127 0.000 1.039 498 S CA 1.448 59.704 58.200 0.093 0.000 1.033 498 S CB -0.415 62.862 63.200 0.129 0.000 0.887 498 S HN 0.622 nan 8.310 nan 0.000 0.447 499 A N 0.943 123.843 122.820 0.133 0.000 1.933 499 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 499 A C 2.205 179.781 177.584 -0.014 0.000 1.175 499 A CA 1.698 53.803 52.037 0.115 0.000 0.628 499 A CB -0.606 18.308 19.000 -0.144 0.000 0.814 499 A HN 0.646 nan 8.150 nan 0.000 0.444 500 M N -0.216 119.343 119.600 -0.069 0.000 2.077 500 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 500 M C 2.436 178.734 176.300 -0.003 0.000 1.070 500 M CA 2.154 57.415 55.300 -0.064 0.000 1.125 500 M CB -0.816 31.737 32.600 -0.078 0.000 1.339 500 M HN 0.622 nan 8.290 nan 0.000 0.409 501 T N -1.825 112.740 114.554 0.018 0.000 2.777 501 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 501 T C 1.692 176.427 174.700 0.058 0.000 1.040 501 T CA 1.295 63.416 62.100 0.035 0.000 1.141 501 T CB -1.132 67.757 68.868 0.035 0.000 0.868 501 T HN 0.526 nan 8.240 nan 0.000 0.444 502 G N 0.525 109.378 108.800 0.090 0.000 3.379 502 G HA2 0.306 4.266 3.960 -0.000 0.000 0.253 502 G HA3 0.306 4.266 3.960 -0.000 0.000 0.253 502 G C 0.938 175.957 174.900 0.199 0.000 1.262 502 G CA -0.398 44.777 45.100 0.124 0.000 0.959 502 G HN 0.411 nan 8.290 nan 0.000 0.524 503 I N 1.224 121.892 120.570 0.163 0.000 2.623 503 I HA -0.159 4.011 4.170 -0.000 0.000 0.261 503 I C 2.647 178.896 176.117 0.220 0.000 1.204 503 I CA 0.883 62.306 61.300 0.205 0.000 1.444 503 I CB 0.089 38.127 38.000 0.063 0.000 1.094 503 I HN 0.239 nan 8.210 nan 0.000 0.451 504 A N 0.337 123.235 122.820 0.131 0.000 1.972 504 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 504 A C 2.370 179.986 177.584 0.054 0.000 1.169 504 A CA 1.492 53.574 52.037 0.075 0.000 0.635 504 A CB -0.588 18.434 19.000 0.038 0.000 0.810 504 A HN 0.491 nan 8.150 nan 0.000 0.446 505 R N -1.799 118.723 120.500 0.037 0.000 2.193 505 R HA -0.060 4.279 4.340 -0.000 0.000 0.229 505 R C 0.476 176.599 176.300 -0.295 0.000 1.110 505 R CA 1.206 57.203 56.100 -0.171 0.000 0.988 505 R CB -0.303 29.803 30.300 -0.324 0.000 0.871 505 R HN 0.582 nan 8.270 nan 0.000 0.458 506 F N -0.323 119.639 119.950 0.020 0.000 2.639 506 F HA 0.206 4.733 4.527 -0.000 0.000 0.302 506 F C 0.147 175.956 175.800 0.015 0.000 1.097 506 F CA -0.257 57.758 58.000 0.026 0.000 1.294 506 F CB 0.910 39.936 39.000 0.044 0.000 1.027 506 F HN -0.302 nan 8.300 nan 0.000 0.550 507 V N 0.418 120.406 119.914 0.123 0.000 2.604 507 V HA 0.166 4.286 4.120 -0.000 0.000 0.305 507 V C 0.254 176.363 176.094 0.025 0.000 1.043 507 V CA -0.702 61.641 62.300 0.071 0.000 0.888 507 V CB 2.041 33.897 31.823 0.054 0.000 0.995 507 V HN 0.089 nan 8.190 nan 0.000 0.429 508 Q N 1.793 121.605 119.800 0.021 0.000 2.033 508 Q HA 0.028 4.368 4.340 -0.000 0.000 0.196 508 Q C 0.933 176.932 176.000 -0.002 0.000 0.970 508 Q CA 0.757 56.563 55.803 0.005 0.000 0.828 508 Q CB -0.133 28.612 28.738 0.011 0.000 0.895 508 Q HN 0.719 nan 8.270 nan 0.000 0.440 509 D N 1.447 121.846 120.400 -0.000 0.000 2.472 509 D HA -0.071 4.569 4.640 -0.000 0.000 0.248 509 D C 0.617 176.908 176.300 -0.015 0.000 1.174 509 D CA 0.236 54.232 54.000 -0.007 0.000 0.883 509 D CB 0.696 41.490 40.800 -0.010 0.000 1.149 509 D HN 0.215 nan 8.370 nan 0.000 0.488 510 K N 3.417 123.809 120.400 -0.014 0.000 2.063 510 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 510 K C 0.915 177.504 176.600 -0.018 0.000 1.048 510 K CA 1.357 57.635 56.287 -0.015 0.000 0.928 510 K CB 0.223 32.715 32.500 -0.013 0.000 0.713 510 K HN 0.409 nan 8.250 nan 0.000 0.442 511 D N 0.777 121.165 120.400 -0.020 0.000 2.117 511 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 511 D C 1.973 178.247 176.300 -0.043 0.000 0.987 511 D CA 1.142 55.127 54.000 -0.026 0.000 0.829 511 D CB -0.108 40.678 40.800 -0.023 0.000 0.961 511 D HN 0.287 nan 8.370 nan 0.000 0.460 512 L N 0.323 121.510 121.223 -0.061 0.000 2.131 512 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 512 L C 2.380 179.226 176.870 -0.041 0.000 1.087 512 L CA 0.707 55.498 54.840 -0.083 0.000 0.767 512 L CB -0.300 41.689 42.059 -0.117 0.000 0.917 512 L HN -0.078 nan 8.230 nan 0.000 0.441 513 K N 0.769 121.155 120.400 -0.024 0.000 2.015 513 K HA -0.289 4.031 4.320 -0.000 0.000 0.216 513 K C 2.196 178.792 176.600 -0.006 0.000 1.052 513 K CA 1.987 58.269 56.287 -0.009 0.000 0.937 513 K CB -0.183 32.311 32.500 -0.010 0.000 0.719 513 K HN 0.116 nan 8.250 nan 0.000 0.446 514 K N 0.906 121.300 120.400 -0.010 0.000 2.020 514 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 514 K C 2.060 178.659 176.600 -0.001 0.000 1.050 514 K CA 1.907 58.191 56.287 -0.005 0.000 0.929 514 K CB -0.207 32.288 32.500 -0.008 0.000 0.714 514 K HN 0.094 nan 8.250 nan 0.000 0.443 515 I N 1.015 121.581 120.570 -0.007 0.000 2.208 515 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 515 I C 2.203 178.326 176.117 0.009 0.000 1.097 515 I CA 1.121 62.422 61.300 0.001 0.000 1.363 515 I CB -0.158 37.836 38.000 -0.011 0.000 1.051 515 I HN 0.189 nan 8.210 nan 0.000 0.413 516 L N -0.145 121.081 121.223 0.004 0.000 2.056 516 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 516 L C 2.707 179.591 176.870 0.022 0.000 1.078 516 L CA 1.274 56.122 54.840 0.014 0.000 0.749 516 L CB -0.469 41.598 42.059 0.013 0.000 0.901 516 L HN 0.091 nan 8.230 nan 0.000 0.433 517 R N -0.274 120.238 120.500 0.020 0.000 2.096 517 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 517 R C 2.245 178.560 176.300 0.025 0.000 1.127 517 R CA 1.306 57.419 56.100 0.023 0.000 0.968 517 R CB -0.342 29.968 30.300 0.017 0.000 0.861 517 R HN 0.346 nan 8.270 nan 0.000 0.440 518 A N 0.151 122.983 122.820 0.021 0.000 2.119 518 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 518 A C 1.411 179.011 177.584 0.028 0.000 1.152 518 A CA 1.291 53.341 52.037 0.021 0.000 0.708 518 A CB 0.022 19.031 19.000 0.015 0.000 0.805 518 A HN 0.386 nan 8.150 nan 0.000 0.460 519 T N -4.284 110.289 114.554 0.032 0.000 3.355 519 T HA 0.364 4.714 4.350 -0.000 0.000 0.276 519 T C 0.000 174.725 174.700 0.040 0.000 1.003 519 T CA 0.441 62.564 62.100 0.039 0.000 0.943 519 T CB -0.001 68.893 68.868 0.044 0.000 1.158 519 T HN 0.257 nan 8.240 nan 0.000 0.513 520 D N 0.629 121.053 120.400 0.040 0.000 2.882 520 D HA -0.133 4.507 4.640 -0.000 0.000 0.229 520 D C 1.088 177.407 176.300 0.033 0.000 1.167 520 D CA 2.053 56.077 54.000 0.040 0.000 0.759 520 D CB -1.312 39.516 40.800 0.046 0.000 1.088 520 D HN 1.256 nan 8.370 nan 0.000 0.425 521 G N -1.441 107.377 108.800 0.030 0.000 2.552 521 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.265 521 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.265 521 G C -0.062 174.844 174.900 0.008 0.000 1.234 521 G CA -0.110 45.003 45.100 0.023 0.000 0.944 521 G HN 0.621 nan 8.290 nan 0.000 0.568 522 L N 2.147 123.366 121.223 -0.006 0.000 2.290 522 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 522 L C 1.341 178.203 176.870 -0.013 0.000 1.078 522 L CA 0.815 55.640 54.840 -0.024 0.000 0.815 522 L CB 0.355 42.385 42.059 -0.049 0.000 1.162 522 L HN 2.256 nan 8.230 nan 0.000 0.435 523 G N 2.585 111.383 108.800 -0.003 0.000 2.725 523 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.220 523 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.220 523 G C -0.302 174.613 174.900 0.025 0.000 1.357 523 G CA -0.268 44.840 45.100 0.012 0.000 0.866 523 G HN 0.866 nan 8.290 nan 0.000 0.548 524 T N -3.846 110.726 114.554 0.030 0.000 2.742 524 T HA 0.733 5.083 4.350 -0.000 0.000 0.282 524 T C 0.954 175.666 174.700 0.019 0.000 1.025 524 T CA 0.519 62.641 62.100 0.037 0.000 1.020 524 T CB 1.932 70.835 68.868 0.058 0.000 1.317 524 T HN 0.533 nan 8.240 nan 0.000 0.538 525 E N 0.432 120.642 120.200 0.016 0.000 2.077 525 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 525 E C 2.332 178.913 176.600 -0.031 0.000 0.989 525 E CA 1.624 58.012 56.400 -0.019 0.000 0.800 525 E CB -0.949 28.728 29.700 -0.038 0.000 0.746 525 E HN 0.783 nan 8.360 nan 0.000 0.452 526 A N 0.854 123.670 122.820 -0.006 0.000 2.067 526 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 526 A C 2.275 179.868 177.584 0.014 0.000 1.158 526 A CA 2.170 54.207 52.037 0.000 0.000 0.661 526 A CB -0.418 18.605 19.000 0.038 0.000 0.801 526 A HN 0.390 nan 8.150 nan 0.000 0.452 527 T N -4.746 109.822 114.554 0.023 0.000 2.978 527 T HA 0.156 4.506 4.350 -0.000 0.000 0.248 527 T C 1.822 176.532 174.700 0.017 0.000 1.018 527 T CA 0.277 62.395 62.100 0.029 0.000 1.026 527 T CB -0.176 68.720 68.868 0.046 0.000 1.032 527 T HN 0.364 nan 8.240 nan 0.000 0.485 528 R N 1.203 121.707 120.500 0.006 0.000 2.117 528 R HA 0.045 4.385 4.340 -0.000 0.000 0.243 528 R C 2.756 179.056 176.300 0.000 0.000 1.143 528 R CA 1.623 57.723 56.100 -0.001 0.000 0.968 528 R CB -0.556 29.738 30.300 -0.011 0.000 0.863 528 R HN 0.545 nan 8.270 nan 0.000 0.444 529 A N 0.295 123.112 122.820 -0.006 0.000 1.872 529 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 529 A C 2.381 179.970 177.584 0.008 0.000 1.187 529 A CA 1.489 53.522 52.037 -0.006 0.000 0.614 529 A CB -1.036 17.950 19.000 -0.023 0.000 0.826 529 A HN 0.457 nan 8.150 nan 0.000 0.442 530 G N 0.240 109.047 108.800 0.011 0.000 2.469 530 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 530 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 530 G C 1.400 176.323 174.900 0.038 0.000 1.136 530 G CA 1.235 46.349 45.100 0.023 0.000 0.759 530 G HN 0.382 nan 8.290 nan 0.000 0.562 531 I N 0.795 121.386 120.570 0.036 0.000 2.202 531 I HA -0.081 4.089 4.170 -0.000 0.000 0.242 531 I C 2.818 178.972 176.117 0.062 0.000 1.091 531 I CA 0.880 62.205 61.300 0.042 0.000 1.368 531 I CB -0.902 37.114 38.000 0.027 0.000 1.058 531 I HN 0.187 nan 8.210 nan 0.000 0.410 532 I N 0.741 121.353 120.570 0.070 0.000 2.163 532 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 532 I C 2.553 178.821 176.117 0.252 0.000 1.085 532 I CA 1.345 62.732 61.300 0.144 0.000 1.347 532 I CB -0.360 37.716 38.000 0.127 0.000 1.044 532 I HN 0.220 nan 8.210 nan 0.000 0.408 533 E N 0.350 120.637 120.200 0.146 0.000 2.106 533 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 533 E C 2.113 178.794 176.600 0.135 0.000 0.984 533 E CA 0.969 57.448 56.400 0.132 0.000 0.806 533 E CB -0.394 29.325 29.700 0.030 0.000 0.750 533 E HN 0.330 nan 8.360 nan 0.000 0.458 534 L N 1.011 122.283 121.223 0.082 0.000 2.046 534 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 534 L C 2.225 179.090 176.870 -0.008 0.000 1.077 534 L CA 1.407 56.268 54.840 0.035 0.000 0.747 534 L CB -0.657 41.422 42.059 0.034 0.000 0.896 534 L HN 0.056 nan 8.230 nan 0.000 0.432 535 L N -1.780 119.456 121.223 0.022 0.000 2.079 535 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 535 L C 2.411 179.177 176.870 -0.174 0.000 1.081 535 L CA 1.335 56.136 54.840 -0.065 0.000 0.752 535 L CB -0.598 41.451 42.059 -0.017 0.000 0.896 535 L HN 0.203 nan 8.230 nan 0.000 0.433 536 F N 0.390 120.301 119.950 -0.064 0.000 2.113 536 F HA -0.229 4.298 4.527 -0.000 0.000 0.297 536 F C 2.679 178.421 175.800 -0.097 0.000 1.103 536 F CA 1.738 59.705 58.000 -0.057 0.000 1.248 536 F CB -0.374 38.608 39.000 -0.030 0.000 0.999 536 F HN -0.009 nan 8.300 nan 0.000 0.475 537 K N 0.406 120.854 120.400 0.080 0.000 2.103 537 K HA -0.166 4.153 4.320 -0.000 0.000 0.207 537 K C 1.997 178.528 176.600 -0.114 0.000 1.048 537 K CA 1.263 57.547 56.287 -0.006 0.000 0.930 537 K CB -0.055 32.440 32.500 -0.008 0.000 0.716 537 K HN 0.048 nan 8.250 nan 0.000 0.444 538 R N -0.339 119.995 120.500 -0.276 0.000 2.280 538 R HA 0.003 4.343 4.340 -0.000 0.000 0.207 538 R C 1.072 177.097 176.300 -0.458 0.000 1.043 538 R CA 0.944 56.730 56.100 -0.522 0.000 1.006 538 R CB -0.275 29.301 30.300 -1.207 0.000 0.885 538 R HN 0.590 nan 8.270 nan 0.000 0.467 539 G N 0.889 109.528 108.800 -0.268 0.000 2.176 539 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 539 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 539 G C 0.573 175.509 174.900 0.060 0.000 1.024 539 G CA 0.239 45.294 45.100 -0.074 0.000 0.755 539 G HN 0.448 nan 8.290 nan 0.000 0.507 540 F N -0.736 119.185 119.950 -0.049 0.000 2.569 540 F HA 0.389 4.916 4.527 -0.000 0.000 0.295 540 F C 1.488 177.178 175.800 -0.183 0.000 1.115 540 F CA 0.002 57.952 58.000 -0.084 0.000 1.450 540 F CB 0.209 39.163 39.000 -0.076 0.000 1.107 540 F HN 0.091 nan 8.300 nan 0.000 0.563 541 L N -0.363 120.731 121.223 -0.215 0.000 2.354 541 L HA 0.558 4.898 4.340 -0.000 0.000 0.269 541 L C -0.193 176.352 176.870 -0.541 0.000 1.005 541 L CA -0.468 54.067 54.840 -0.508 0.000 0.819 541 L CB 2.289 43.726 42.059 -1.037 0.000 1.311 541 L HN -0.270 nan 8.230 nan 0.000 0.423 542 T N 0.623 115.041 114.554 -0.227 0.000 2.838 542 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 542 T C -1.487 173.362 174.700 0.249 0.000 1.113 542 T CA -0.575 61.576 62.100 0.085 0.000 1.008 542 T CB 2.085 70.987 68.868 0.058 0.000 1.259 542 T HN 0.419 nan 8.240 nan 0.000 0.520 543 K N 1.723 122.278 120.400 0.257 0.000 2.376 543 K HA 0.683 5.003 4.320 -0.000 0.000 0.257 543 K C -1.527 175.096 176.600 0.038 0.000 0.939 543 K CA -0.676 55.734 56.287 0.204 0.000 0.809 543 K CB 1.318 33.928 32.500 0.183 0.000 1.121 543 K HN 0.289 nan 8.250 nan 0.000 0.425 544 K N 3.013 123.410 120.400 -0.006 0.000 2.621 544 K HA 0.498 4.818 4.320 -0.000 0.000 0.233 544 K C 0.069 176.711 176.600 0.071 0.000 0.972 544 K CA 0.373 56.623 56.287 -0.063 0.000 0.988 544 K CB 0.638 32.943 32.500 -0.325 0.000 1.187 544 K HN 0.717 nan 8.250 nan 0.000 0.471 545 G N 4.022 112.852 108.800 0.049 0.000 2.591 545 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.298 545 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.298 545 G C 0.510 175.411 174.900 0.001 0.000 1.195 545 G CA 0.495 45.623 45.100 0.046 0.000 0.989 545 G HN 0.710 nan 8.290 nan 0.000 0.551 546 R N -0.027 120.409 120.500 -0.106 0.000 2.310 546 R HA 0.361 4.701 4.340 -0.000 0.000 0.202 546 R C 0.259 176.407 176.300 -0.253 0.000 0.933 546 R CA 0.239 56.205 56.100 -0.225 0.000 1.054 546 R CB -0.062 30.044 30.300 -0.323 0.000 0.985 546 R HN 0.467 nan 8.270 nan 0.000 0.489 547 Y N 0.985 121.366 120.300 0.135 0.000 2.361 547 Y HA 0.428 4.978 4.550 -0.000 0.000 0.332 547 Y C 0.315 176.382 175.900 0.278 0.000 1.101 547 Y CA -1.248 56.985 58.100 0.222 0.000 1.137 547 Y CB 1.489 40.127 38.460 0.296 0.000 1.207 547 Y HN -0.132 nan 8.280 nan 0.000 0.463 548 I N 4.102 124.965 120.570 0.489 0.000 2.312 548 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 548 I C -0.739 175.604 176.117 0.377 0.000 1.008 548 I CA -0.483 61.063 61.300 0.411 0.000 1.226 548 I CB 0.434 38.639 38.000 0.340 0.000 1.371 548 I HN 0.584 nan 8.210 nan 0.000 0.468 549 H N 2.938 122.026 119.070 0.031 0.000 2.573 549 H HA 0.401 4.957 4.556 -0.000 0.000 0.351 549 H C 0.008 175.298 175.328 -0.062 0.000 1.163 549 H CA -0.930 55.087 56.048 -0.051 0.000 1.205 549 H CB 1.745 31.426 29.762 -0.134 0.000 1.605 549 H HN 0.557 nan 8.280 nan 0.000 0.525 550 S N 0.671 116.399 115.700 0.046 0.000 2.580 550 S HA 0.346 4.816 4.470 -0.000 0.000 0.274 550 S C 0.442 175.061 174.600 0.032 0.000 1.329 550 S CA -0.607 57.589 58.200 -0.006 0.000 1.036 550 S CB 0.635 63.796 63.200 -0.065 0.000 0.919 550 S HN 0.747 nan 8.310 nan 0.000 0.515 551 T N -0.239 114.338 114.554 0.039 0.000 2.881 551 T HA 0.347 4.697 4.350 -0.000 0.000 0.278 551 T C 0.492 175.232 174.700 0.067 0.000 0.982 551 T CA -0.608 61.532 62.100 0.067 0.000 0.989 551 T CB 0.445 69.371 68.868 0.098 0.000 1.058 551 T HN 0.490 nan 8.240 nan 0.000 0.529 552 D N 0.830 121.276 120.400 0.077 0.000 2.149 552 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 552 D C 2.262 178.609 176.300 0.078 0.000 1.001 552 D CA 1.928 55.974 54.000 0.077 0.000 0.849 552 D CB -0.726 40.125 40.800 0.085 0.000 0.939 552 D HN 0.749 nan 8.370 nan 0.000 0.449 553 A N 0.483 123.372 122.820 0.115 0.000 1.898 553 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 553 A C 2.409 179.978 177.584 -0.024 0.000 1.181 553 A CA 1.956 54.055 52.037 0.103 0.000 0.620 553 A CB -0.989 18.177 19.000 0.277 0.000 0.819 553 A HN 0.305 nan 8.150 nan 0.000 0.442 554 G N -0.296 108.514 108.800 0.016 0.000 2.422 554 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 554 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 554 G C 1.680 176.488 174.900 -0.153 0.000 1.146 554 G CA 1.100 46.087 45.100 -0.188 0.000 0.769 554 G HN 0.561 nan 8.290 nan 0.000 0.547 555 K N 0.412 120.779 120.400 -0.055 0.000 2.057 555 K HA 0.100 4.420 4.320 -0.000 0.000 0.206 555 K C 2.973 179.617 176.600 0.073 0.000 1.050 555 K CA 0.901 57.181 56.287 -0.012 0.000 0.935 555 K CB -0.177 32.354 32.500 0.051 0.000 0.715 555 K HN 0.261 nan 8.250 nan 0.000 0.439 556 A N 1.529 124.374 122.820 0.042 0.000 1.898 556 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 556 A C 2.082 179.659 177.584 -0.012 0.000 1.181 556 A CA 1.066 53.114 52.037 0.018 0.000 0.620 556 A CB -0.540 18.473 19.000 0.022 0.000 0.819 556 A HN 0.213 nan 8.150 nan 0.000 0.442 557 L N -1.099 120.105 121.223 -0.032 0.000 1.989 557 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 557 L C 2.222 179.009 176.870 -0.138 0.000 1.071 557 L CA 2.522 57.314 54.840 -0.079 0.000 0.749 557 L CB -1.075 40.719 42.059 -0.442 0.000 0.890 557 L HN 0.463 nan 8.230 nan 0.000 0.431 558 F N -0.298 119.470 119.950 -0.304 0.000 2.120 558 F HA -0.300 4.227 4.527 -0.000 0.000 0.300 558 F C 2.509 178.124 175.800 -0.309 0.000 1.095 558 F CA 2.147 59.944 58.000 -0.338 0.000 1.249 558 F CB -0.377 38.377 39.000 -0.411 0.000 0.995 558 F HN 0.303 nan 8.300 nan 0.000 0.480 559 H N -0.767 118.307 119.070 0.007 0.000 2.529 559 H HA 0.032 4.588 4.556 -0.000 0.000 0.277 559 H C 2.462 177.674 175.328 -0.194 0.000 0.999 559 H CA 1.167 57.167 56.048 -0.079 0.000 1.256 559 H CB -0.324 29.448 29.762 0.017 0.000 1.402 559 H HN 0.400 nan 8.280 nan 0.000 0.566 560 S N -0.177 115.450 115.700 -0.122 0.000 2.501 560 S HA 0.081 4.551 4.470 -0.000 0.000 0.220 560 S C 0.937 175.499 174.600 -0.064 0.000 0.997 560 S CA -0.183 57.952 58.200 -0.108 0.000 0.919 560 S CB -0.056 63.068 63.200 -0.128 0.000 0.778 560 S HN 0.066 nan 8.310 nan 0.000 0.523 561 L N 2.800 123.876 121.223 -0.245 0.000 2.379 561 L HA 0.489 4.829 4.340 -0.000 0.000 0.269 561 L C -2.154 174.565 176.870 -0.252 0.000 1.084 561 L CA -2.538 52.109 54.840 -0.321 0.000 0.802 561 L CB 0.901 42.678 42.059 -0.471 0.000 1.175 561 L HN 0.098 nan 8.230 nan 0.000 0.448 562 P HA 0.083 nan 4.420 nan 0.000 0.275 562 P C 0.123 177.327 177.300 -0.159 0.000 1.228 562 P CA -0.325 62.705 63.100 -0.116 0.000 0.786 562 P CB 0.969 32.647 31.700 -0.037 0.000 0.927 563 E N 1.018 121.133 120.200 -0.141 0.000 2.108 563 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 563 E C 1.690 178.231 176.600 -0.098 0.000 1.022 563 E CA 1.557 57.875 56.400 -0.136 0.000 0.823 563 E CB -0.182 29.475 29.700 -0.072 0.000 0.744 563 E HN 0.493 nan 8.360 nan 0.000 0.456 564 M N 0.182 119.748 119.600 -0.058 0.000 2.144 564 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 564 M C 2.183 178.458 176.300 -0.042 0.000 1.067 564 M CA 1.828 57.107 55.300 -0.036 0.000 1.095 564 M CB -0.105 32.487 32.600 -0.013 0.000 1.365 564 M HN 0.119 nan 8.290 nan 0.000 0.406 565 A N -0.357 122.441 122.820 -0.036 0.000 1.969 565 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 565 A C 1.956 179.496 177.584 -0.074 0.000 1.169 565 A CA 1.950 53.982 52.037 -0.008 0.000 0.635 565 A CB -1.018 17.949 19.000 -0.056 0.000 0.810 565 A HN 0.709 nan 8.150 nan 0.000 0.445 566 T N -3.370 111.106 114.554 -0.131 0.000 3.086 566 T HA 0.332 4.682 4.350 -0.000 0.000 0.250 566 T C 0.702 175.390 174.700 -0.021 0.000 1.074 566 T CA -0.347 61.691 62.100 -0.104 0.000 0.988 566 T CB -0.016 68.697 68.868 -0.259 0.000 0.988 566 T HN 0.342 nan 8.240 nan 0.000 0.530 567 R N 1.210 121.688 120.500 -0.037 0.000 2.832 567 R HA 0.426 4.766 4.340 -0.000 0.000 0.271 567 R C -2.205 174.070 176.300 -0.042 0.000 0.996 567 R CA -2.330 53.762 56.100 -0.013 0.000 0.977 567 R CB 1.484 31.786 30.300 0.003 0.000 1.168 567 R HN -0.073 nan 8.270 nan 0.000 0.482 568 P HA 0.060 nan 4.420 nan 0.000 0.249 568 P C -0.411 176.852 177.300 -0.062 0.000 1.229 568 P CA 0.524 63.588 63.100 -0.059 0.000 0.788 568 P CB 0.343 32.022 31.700 -0.034 0.000 1.072 569 D N -0.151 120.233 120.400 -0.026 0.000 2.149 569 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 569 D C 1.938 178.261 176.300 0.039 0.000 0.990 569 D CA 1.056 55.058 54.000 0.004 0.000 0.839 569 D CB -0.709 40.130 40.800 0.065 0.000 0.948 569 D HN 0.144 nan 8.370 nan 0.000 0.460 570 M N 0.200 119.781 119.600 -0.031 0.000 2.108 570 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 570 M C 1.717 177.868 176.300 -0.250 0.000 1.066 570 M CA 1.332 56.570 55.300 -0.103 0.000 1.107 570 M CB -0.119 32.285 32.600 -0.326 0.000 1.356 570 M HN -0.065 nan 8.290 nan 0.000 0.406 571 T N 0.909 115.276 114.554 -0.312 0.000 2.720 571 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 571 T C 1.727 176.423 174.700 -0.008 0.000 1.037 571 T CA 1.574 63.538 62.100 -0.228 0.000 1.144 571 T CB -0.470 68.292 68.868 -0.176 0.000 0.864 571 T HN 0.619 nan 8.240 nan 0.000 0.444 572 A N 1.068 123.870 122.820 -0.029 0.000 1.877 572 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 572 A C 1.893 179.480 177.584 0.004 0.000 1.186 572 A CA 1.997 54.009 52.037 -0.041 0.000 0.620 572 A CB -1.035 17.883 19.000 -0.136 0.000 0.822 572 A HN 0.643 nan 8.150 nan 0.000 0.443 573 H N -2.353 116.782 119.070 0.109 0.000 2.353 573 H HA -0.225 4.331 4.556 -0.000 0.000 0.298 573 H C 1.837 177.353 175.328 0.313 0.000 1.103 573 H CA 2.164 58.314 56.048 0.170 0.000 1.293 573 H CB -0.161 29.690 29.762 0.148 0.000 1.372 573 H HN 0.688 nan 8.280 nan 0.000 0.501 574 W N 1.406 122.824 121.300 0.196 0.000 2.354 574 W HA -0.106 4.554 4.660 -0.000 0.000 0.315 574 W C 2.361 179.026 176.519 0.243 0.000 1.206 574 W CA 0.855 58.384 57.345 0.306 0.000 1.290 574 W CB -0.551 29.077 29.460 0.279 0.000 1.152 574 W HN 0.203 nan 8.180 nan 0.000 0.489 575 E N -0.292 120.128 120.200 0.368 0.000 2.077 575 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 575 E C 2.206 178.897 176.600 0.153 0.000 0.989 575 E CA 1.602 58.126 56.400 0.206 0.000 0.800 575 E CB -1.147 28.635 29.700 0.135 0.000 0.746 575 E HN 0.171 nan 8.360 nan 0.000 0.452 576 S N 0.482 116.270 115.700 0.147 0.000 2.372 576 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 576 S C 2.151 176.830 174.600 0.131 0.000 1.044 576 S CA 1.690 59.958 58.200 0.113 0.000 1.050 576 S CB -0.156 63.102 63.200 0.095 0.000 0.901 576 S HN 0.087 nan 8.310 nan 0.000 0.447 577 V N 1.766 121.798 119.914 0.196 0.000 2.488 577 V HA -0.015 4.105 4.120 -0.000 0.000 0.246 577 V C 2.383 178.558 176.094 0.134 0.000 1.046 577 V CA 1.405 63.825 62.300 0.199 0.000 1.053 577 V CB -0.645 31.355 31.823 0.296 0.000 0.679 577 V HN 0.458 nan 8.190 nan 0.000 0.458 578 L N -0.189 121.092 121.223 0.097 0.000 2.046 578 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 578 L C 2.661 179.525 176.870 -0.010 0.000 1.077 578 L CA 1.989 56.800 54.840 -0.047 0.000 0.747 578 L CB -1.072 40.947 42.059 -0.067 0.000 0.896 578 L HN 0.345 nan 8.230 nan 0.000 0.432 579 T N -0.886 113.687 114.554 0.031 0.000 2.684 579 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 579 T C 1.897 176.612 174.700 0.025 0.000 1.036 579 T CA 1.507 63.622 62.100 0.025 0.000 1.148 579 T CB -0.230 68.659 68.868 0.036 0.000 0.863 579 T HN 0.372 nan 8.240 nan 0.000 0.436 580 Q N 0.027 119.856 119.800 0.047 0.000 2.135 580 Q HA -0.035 4.305 4.340 -0.000 0.000 0.204 580 Q C 2.368 178.411 176.000 0.071 0.000 0.981 580 Q CA 1.213 57.052 55.803 0.059 0.000 0.856 580 Q CB -0.370 28.413 28.738 0.075 0.000 0.902 580 Q HN 0.528 nan 8.270 nan 0.000 0.425 581 I N 0.525 121.129 120.570 0.056 0.000 2.163 581 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 581 I C 2.526 178.610 176.117 -0.054 0.000 1.085 581 I CA 1.492 62.815 61.300 0.039 0.000 1.347 581 I CB -0.328 37.657 38.000 -0.026 0.000 1.044 581 I HN 0.256 nan 8.210 nan 0.000 0.408 582 S N 0.150 115.816 115.700 -0.057 0.000 2.428 582 S HA -0.103 4.367 4.470 -0.000 0.000 0.230 582 S C 1.611 176.188 174.600 -0.039 0.000 1.014 582 S CA 0.674 58.831 58.200 -0.072 0.000 0.957 582 S CB -0.317 62.848 63.200 -0.057 0.000 0.784 582 S HN 0.420 nan 8.310 nan 0.000 0.499 583 E N 1.381 121.579 120.200 -0.003 0.000 2.482 583 E HA 0.075 4.425 4.350 -0.000 0.000 0.196 583 E C 0.097 176.727 176.600 0.050 0.000 1.047 583 E CA 0.154 56.559 56.400 0.009 0.000 0.869 583 E CB -0.324 29.385 29.700 0.015 0.000 0.836 583 E HN 0.622 nan 8.360 nan 0.000 0.520 584 K N -0.038 120.430 120.400 0.113 0.000 3.192 584 K HA -0.243 4.077 4.320 -0.000 0.000 0.278 584 K C 0.745 177.438 176.600 0.154 0.000 1.164 584 K CA 0.511 56.938 56.287 0.232 0.000 0.816 584 K CB -1.304 31.301 32.500 0.176 0.000 1.256 584 K HN 0.159 nan 8.250 nan 0.000 0.497 585 Q N -0.872 119.001 119.800 0.121 0.000 2.408 585 Q HA 0.078 4.418 4.340 -0.000 0.000 0.205 585 Q C 0.678 176.726 176.000 0.079 0.000 0.919 585 Q CA 0.974 56.825 55.803 0.081 0.000 0.932 585 Q CB 0.637 29.411 28.738 0.059 0.000 1.058 585 Q HN 0.632 nan 8.270 nan 0.000 0.517 586 C N -2.363 117.011 119.300 0.124 0.000 3.295 586 C HA 0.617 5.077 4.460 -0.000 0.000 0.341 586 C C -1.191 173.928 174.990 0.215 0.000 1.418 586 C CA -1.396 57.684 59.018 0.103 0.000 1.240 586 C CB 1.274 29.067 27.740 0.087 0.000 1.562 586 C HN 0.159 nan 8.230 nan 0.000 0.457 587 R N -0.234 120.342 120.500 0.127 0.000 2.607 587 R HA 0.388 4.727 4.340 -0.000 0.000 0.261 587 R C 0.704 177.215 176.300 0.352 0.000 1.051 587 R CA -0.413 55.812 56.100 0.209 0.000 1.110 587 R CB 0.544 30.720 30.300 -0.206 0.000 1.158 587 R HN 0.847 nan 8.270 nan 0.000 0.543 588 Y N 1.285 121.851 120.300 0.443 0.000 2.069 588 Y HA -0.330 4.220 4.550 -0.000 0.000 0.278 588 Y C 2.016 178.080 175.900 0.274 0.000 1.175 588 Y CA 1.939 60.238 58.100 0.332 0.000 1.134 588 Y CB 0.143 38.804 38.460 0.334 0.000 0.965 588 Y HN 0.443 nan 8.280 nan 0.000 0.498 589 Q N 0.238 120.244 119.800 0.343 0.000 2.364 589 Q HA -0.157 4.183 4.340 -0.000 0.000 0.207 589 Q C 1.500 177.515 176.000 0.024 0.000 0.970 589 Q CA 1.380 57.262 55.803 0.131 0.000 0.888 589 Q CB -0.318 28.525 28.738 0.175 0.000 0.951 589 Q HN 0.668 nan 8.270 nan 0.000 0.469 590 D N -0.665 119.760 120.400 0.042 0.000 2.264 590 D HA -0.107 4.533 4.640 -0.000 0.000 0.208 590 D C 1.449 177.762 176.300 0.020 0.000 0.966 590 D CA 0.564 54.577 54.000 0.023 0.000 0.864 590 D CB -0.136 40.691 40.800 0.045 0.000 0.933 590 D HN 0.234 nan 8.370 nan 0.000 0.499 591 F N 0.446 120.301 119.950 -0.157 0.000 2.274 591 F HA -0.012 4.515 4.527 -0.000 0.000 0.288 591 F C 2.131 177.753 175.800 -0.296 0.000 1.069 591 F CA 0.396 58.253 58.000 -0.238 0.000 1.343 591 F CB 0.072 38.897 39.000 -0.292 0.000 1.089 591 F HN -0.275 nan 8.300 nan 0.000 0.517 592 M N 0.654 120.156 119.600 -0.164 0.000 2.117 592 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 592 M C 2.239 178.441 176.300 -0.162 0.000 1.065 592 M CA 1.480 56.658 55.300 -0.203 0.000 1.114 592 M CB -1.478 31.006 32.600 -0.195 0.000 1.361 592 M HN 0.355 nan 8.290 nan 0.000 0.408 593 Q N 0.243 119.975 119.800 -0.114 0.000 1.998 593 Q HA -0.199 4.141 4.340 -0.000 0.000 0.209 593 Q C -0.784 175.146 176.000 -0.116 0.000 1.002 593 Q CA 2.459 58.211 55.803 -0.085 0.000 0.858 593 Q CB -0.977 27.725 28.738 -0.060 0.000 0.932 593 Q HN 0.287 nan 8.270 nan 0.000 0.416 594 P HA -0.154 nan 4.420 nan 0.000 0.220 594 P C 1.402 178.599 177.300 -0.171 0.000 1.148 594 P CA 0.972 63.974 63.100 -0.163 0.000 0.803 594 P CB -0.084 31.498 31.700 -0.197 0.000 0.782 595 L N -0.102 120.952 121.223 -0.281 0.000 1.993 595 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 595 L C 2.495 179.358 176.870 -0.012 0.000 1.074 595 L CA 1.493 56.197 54.840 -0.227 0.000 0.746 595 L CB -1.111 40.650 42.059 -0.496 0.000 0.896 595 L HN -0.282 nan 8.230 nan 0.000 0.435 596 V N 0.525 120.449 119.914 0.017 0.000 2.370 596 V HA -0.303 3.817 4.120 -0.000 0.000 0.252 596 V C 2.529 178.738 176.094 0.191 0.000 1.068 596 V CA 1.980 64.371 62.300 0.152 0.000 1.061 596 V CB -1.591 30.319 31.823 0.146 0.000 0.656 596 V HN 0.712 nan 8.190 nan 0.000 0.455 597 G N -0.951 107.886 108.800 0.061 0.000 2.404 597 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 597 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 597 G C 1.679 176.635 174.900 0.093 0.000 1.174 597 G CA 1.317 46.440 45.100 0.037 0.000 0.780 597 G HN 0.460 nan 8.290 nan 0.000 0.537 598 T N 1.281 115.876 114.554 0.068 0.000 2.720 598 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 598 T C 2.256 177.047 174.700 0.151 0.000 1.037 598 T CA 1.320 63.473 62.100 0.088 0.000 1.144 598 T CB -0.276 68.630 68.868 0.062 0.000 0.864 598 T HN 0.137 nan 8.240 nan 0.000 0.444 599 L N 0.081 121.418 121.223 0.191 0.000 1.989 599 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 599 L C 2.128 179.066 176.870 0.112 0.000 1.071 599 L CA 1.769 56.717 54.840 0.180 0.000 0.749 599 L CB -0.904 41.266 42.059 0.185 0.000 0.890 599 L HN 0.232 nan 8.230 nan 0.000 0.431 600 Y N -0.065 120.253 120.300 0.030 0.000 2.151 600 Y HA -0.326 4.224 4.550 -0.000 0.000 0.284 600 Y C 2.921 178.826 175.900 0.007 0.000 1.166 600 Y CA 2.343 60.448 58.100 0.008 0.000 1.163 600 Y CB -0.485 37.977 38.460 0.003 0.000 0.974 600 Y HN 0.411 nan 8.280 nan 0.000 0.511 601 Q N 0.272 120.181 119.800 0.181 0.000 2.050 601 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 601 Q C 2.225 178.269 176.000 0.073 0.000 0.980 601 Q CA 1.591 57.456 55.803 0.103 0.000 0.840 601 Q CB -0.334 28.449 28.738 0.076 0.000 0.898 601 Q HN 0.535 nan 8.270 nan 0.000 0.424 602 L N 0.557 121.828 121.223 0.081 0.000 2.046 602 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 602 L C 2.479 179.373 176.870 0.040 0.000 1.077 602 L CA 0.571 55.457 54.840 0.076 0.000 0.747 602 L CB -0.461 41.666 42.059 0.112 0.000 0.896 602 L HN 0.295 nan 8.230 nan 0.000 0.432 603 I N 0.039 120.604 120.570 -0.009 0.000 2.179 603 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 603 I C 2.147 178.226 176.117 -0.062 0.000 1.088 603 I CA 1.554 62.808 61.300 -0.078 0.000 1.357 603 I CB -1.191 36.714 38.000 -0.159 0.000 1.051 603 I HN 0.250 nan 8.210 nan 0.000 0.409 604 D N 0.663 121.052 120.400 -0.018 0.000 2.116 604 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 604 D C 2.337 178.631 176.300 -0.011 0.000 0.998 604 D CA 1.270 55.267 54.000 -0.006 0.000 0.836 604 D CB -0.175 40.641 40.800 0.026 0.000 0.951 604 D HN 0.409 nan 8.370 nan 0.000 0.449 605 Q N -0.240 119.565 119.800 0.008 0.000 2.096 605 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 605 Q C 2.216 178.215 176.000 -0.001 0.000 0.982 605 Q CA 1.384 57.197 55.803 0.017 0.000 0.850 605 Q CB -0.159 28.604 28.738 0.042 0.000 0.901 605 Q HN 0.279 nan 8.270 nan 0.000 0.422 606 A N 1.485 124.283 122.820 -0.037 0.000 1.902 606 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 606 A C 1.899 179.372 177.584 -0.186 0.000 1.181 606 A CA 1.494 53.417 52.037 -0.191 0.000 0.623 606 A CB -0.317 18.459 19.000 -0.373 0.000 0.818 606 A HN 0.181 nan 8.150 nan 0.000 0.443 607 K N -0.660 119.664 120.400 -0.126 0.000 2.209 607 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 607 K C 1.444 178.011 176.600 -0.055 0.000 1.048 607 K CA 1.199 57.431 56.287 -0.092 0.000 0.940 607 K CB -0.087 32.371 32.500 -0.069 0.000 0.729 607 K HN 0.418 nan 8.250 nan 0.000 0.451 608 R N 0.336 120.813 120.500 -0.039 0.000 2.427 608 R HA 0.096 4.436 4.340 -0.000 0.000 0.262 608 R C -0.176 176.117 176.300 -0.012 0.000 0.943 608 R CA 0.052 56.141 56.100 -0.019 0.000 1.081 608 R CB 0.644 30.938 30.300 -0.010 0.000 1.166 608 R HN -0.065 nan 8.270 nan 0.000 0.534 609 T N 4.195 118.739 114.554 -0.017 0.000 2.780 609 T HA 0.204 4.554 4.350 -0.000 0.000 0.294 609 T C -2.100 172.612 174.700 0.021 0.000 0.949 609 T CA -1.223 60.883 62.100 0.009 0.000 1.074 609 T CB 1.356 70.246 68.868 0.037 0.000 0.910 609 T HN 0.062 nan 8.240 nan 0.000 0.501 610 P HA 0.144 nan 4.420 nan 0.000 0.275 610 P C 1.165 178.494 177.300 0.048 0.000 1.228 610 P CA -0.497 62.613 63.100 0.017 0.000 0.786 610 P CB 0.862 32.558 31.700 -0.007 0.000 0.927 611 V N 1.565 121.535 119.914 0.093 0.000 2.649 611 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 611 V C 2.279 178.459 176.094 0.143 0.000 1.054 611 V CA 0.801 63.224 62.300 0.204 0.000 1.073 611 V CB -1.250 30.686 31.823 0.188 0.000 0.699 611 V HN 0.354 nan 8.190 nan 0.000 0.463 612 R N 1.810 122.343 120.500 0.055 0.000 2.259 612 R HA -0.363 3.977 4.340 -0.000 0.000 0.247 612 R C 2.547 178.837 176.300 -0.016 0.000 1.114 612 R CA 3.186 59.299 56.100 0.021 0.000 0.926 612 R CB -0.947 29.347 30.300 -0.010 0.000 0.937 612 R HN 0.898 nan 8.270 nan 0.000 0.434 613 Q N -0.236 119.484 119.800 -0.134 0.000 2.308 613 Q HA -0.191 4.148 4.340 -0.000 0.000 0.209 613 Q C 1.422 177.268 176.000 -0.256 0.000 0.985 613 Q CA 1.727 57.384 55.803 -0.244 0.000 0.881 613 Q CB -0.346 28.161 28.738 -0.385 0.000 0.917 613 Q HN 0.480 nan 8.270 nan 0.000 0.443 614 F N 1.048 121.004 119.950 0.011 0.000 2.797 614 F HA 0.211 4.738 4.527 -0.000 0.000 0.302 614 F C 0.864 176.686 175.800 0.035 0.000 1.130 614 F CA -0.517 57.483 58.000 -0.001 0.000 1.387 614 F CB 0.324 39.323 39.000 -0.002 0.000 1.107 614 F HN -0.132 nan 8.300 nan 0.000 0.577 615 R N 0.168 120.773 120.500 0.175 0.000 2.490 615 R HA 0.324 4.664 4.340 -0.000 0.000 0.280 615 R C 1.264 177.637 176.300 0.123 0.000 1.077 615 R CA 0.606 56.791 56.100 0.141 0.000 1.065 615 R CB 0.426 30.781 30.300 0.092 0.000 1.003 615 R HN 0.321 nan 8.270 nan 0.000 0.470 616 G N 2.132 111.007 108.800 0.125 0.000 2.155 616 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 616 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 616 G C 0.293 175.268 174.900 0.125 0.000 0.983 616 G CA 0.513 45.677 45.100 0.106 0.000 0.676 616 G HN 0.677 nan 8.290 nan 0.000 0.528 617 I N -1.338 119.337 120.570 0.176 0.000 2.532 617 I HA 0.706 4.876 4.170 -0.000 0.000 0.292 617 I C 0.728 176.998 176.117 0.256 0.000 1.014 617 I CA -1.415 60.005 61.300 0.200 0.000 1.340 617 I CB 1.424 39.538 38.000 0.190 0.000 1.422 617 I HN -0.112 nan 8.210 nan 0.000 0.528 618 V N 4.415 124.458 119.914 0.215 0.000 2.637 618 V HA 0.470 4.590 4.120 -0.000 0.000 0.296 618 V C 0.766 176.998 176.094 0.231 0.000 1.046 618 V CA -0.263 62.142 62.300 0.176 0.000 1.066 618 V CB 0.609 32.506 31.823 0.123 0.000 0.968 618 V HN 0.916 nan 8.190 nan 0.000 0.483 619 A N 6.058 128.933 122.820 0.092 0.000 2.331 619 A HA 0.856 5.176 4.320 -0.000 0.000 0.320 619 A C -1.366 176.198 177.584 -0.034 0.000 1.138 619 A CA -1.253 50.761 52.037 -0.039 0.000 0.790 619 A CB 0.410 19.232 19.000 -0.298 0.000 1.206 619 A HN 0.834 nan 8.150 nan 0.000 0.470 649 S N 1.728 117.415 115.700 -0.021 0.000 2.560 649 S HA 0.452 4.922 4.470 -0.000 0.000 0.323 649 S C 1.021 175.597 174.600 -0.041 0.000 1.191 649 S CA 1.077 59.242 58.200 -0.059 0.000 1.231 649 S CB 0.210 63.413 63.200 0.004 0.000 1.224 649 S HN 1.720 nan 8.310 nan 0.000 0.545 650 G N 1.526 110.289 108.800 -0.061 0.000 3.743 650 G HA2 0.082 4.042 3.960 -0.000 0.000 0.220 650 G HA3 0.082 4.042 3.960 -0.000 0.000 0.220 650 G C 0.599 175.496 174.900 -0.004 0.000 0.914 650 G CA 0.123 45.200 45.100 -0.038 0.000 0.851 650 G HN 0.721 nan 8.290 nan 0.000 0.573 651 A N 0.316 123.157 122.820 0.034 0.000 2.195 651 A HA 0.571 4.891 4.320 -0.000 0.000 0.210 651 A C 2.014 179.654 177.584 0.093 0.000 1.165 651 A CA 0.843 52.972 52.037 0.153 0.000 0.806 651 A CB -0.258 18.809 19.000 0.111 0.000 0.847 651 A HN 0.398 nan 8.150 nan 0.000 0.482 652 I N -0.309 120.222 120.570 -0.064 0.000 2.546 652 I HA -0.166 4.004 4.170 -0.000 0.000 0.255 652 I C 2.797 178.823 176.117 -0.152 0.000 1.163 652 I CA 0.837 62.036 61.300 -0.168 0.000 1.457 652 I CB -0.180 37.542 38.000 -0.462 0.000 1.092 652 I HN 0.312 nan 8.210 nan 0.000 0.434 653 A N 0.574 123.335 122.820 -0.098 0.000 1.902 653 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 653 A C 2.066 179.762 177.584 0.187 0.000 1.181 653 A CA 1.799 53.826 52.037 -0.017 0.000 0.623 653 A CB -1.076 17.884 19.000 -0.066 0.000 0.818 653 A HN 0.423 nan 8.150 nan 0.000 0.443 654 H N -2.307 116.855 119.070 0.154 0.000 2.353 654 H HA -0.209 4.347 4.556 -0.000 0.000 0.298 654 H C 2.160 177.646 175.328 0.263 0.000 1.103 654 H CA 2.129 58.259 56.048 0.136 0.000 1.293 654 H CB -0.119 29.685 29.762 0.070 0.000 1.372 654 H HN 0.776 nan 8.280 nan 0.000 0.501 655 H N -0.557 118.690 119.070 0.295 0.000 2.448 655 H HA -0.005 4.551 4.556 -0.000 0.000 0.292 655 H C 1.519 177.058 175.328 0.352 0.000 1.035 655 H CA 1.107 57.319 56.048 0.272 0.000 1.349 655 H CB -0.034 29.857 29.762 0.214 0.000 1.425 655 H HN 0.510 nan 8.280 nan 0.000 0.539 656 H N -1.275 117.828 119.070 0.055 0.000 2.563 656 H HA -0.053 4.503 4.556 -0.000 0.000 0.272 656 H C 1.181 176.448 175.328 -0.101 0.000 1.005 656 H CA 0.342 56.345 56.048 -0.074 0.000 1.171 656 H CB 0.424 30.169 29.762 -0.029 0.000 1.351 656 H HN 0.557 nan 8.280 nan 0.000 0.602 657 H N -1.047 118.062 119.070 0.065 0.000 2.276 657 H HA 0.018 4.574 4.556 -0.000 0.000 0.307 657 H C 0.753 176.034 175.328 -0.079 0.000 1.061 657 H CA 1.022 57.084 56.048 0.023 0.000 1.336 657 H CB 0.198 30.031 29.762 0.118 0.000 1.396 657 H HN 0.275 nan 8.280 nan 0.000 0.503 658 H N 0.000 119.136 119.070 0.110 0.000 2.539 658 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 658 H CA 0.000 56.067 56.048 0.031 0.000 1.023 658 H CB 0.000 29.793 29.762 0.052 0.000 1.292 658 H HN 0.000 nan 8.280 nan 0.000 0.496