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 2o59_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 XXXXXXXXXX DATA SEQUENCE AIAHHH 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 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 R N 1.583 122.073 120.500 -0.018 0.000 2.265 2 R HA 0.683 5.023 4.340 -0.000 0.000 0.314 2 R C -1.579 174.669 176.300 -0.086 0.000 1.053 2 R CA -0.730 55.320 56.100 -0.082 0.000 0.931 2 R CB 1.209 31.467 30.300 -0.070 0.000 1.024 2 R HN 0.844 nan 8.270 nan 0.000 0.457 3 L N 5.076 126.206 121.223 -0.155 0.000 2.298 3 L HA 0.429 4.769 4.340 -0.000 0.000 0.284 3 L C -1.300 175.466 176.870 -0.175 0.000 1.013 3 L CA -0.253 54.526 54.840 -0.103 0.000 0.824 3 L CB 0.857 42.883 42.059 -0.055 0.000 1.221 3 L HN 0.379 nan 8.230 nan 0.000 0.418 4 F N 5.810 125.749 119.950 -0.019 0.000 2.410 4 F HA 0.486 5.013 4.527 -0.000 0.000 0.349 4 F C 0.261 176.070 175.800 0.016 0.000 1.117 4 F CA -0.262 57.742 58.000 0.007 0.000 1.104 4 F CB 1.080 40.090 39.000 0.018 0.000 1.122 4 F HN 0.262 nan 8.300 nan 0.000 0.483 5 I N 4.084 124.748 120.570 0.157 0.000 2.388 5 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 5 I C 0.096 176.274 176.117 0.102 0.000 1.046 5 I CA -0.533 60.826 61.300 0.098 0.000 1.187 5 I CB 0.740 38.738 38.000 -0.004 0.000 1.351 5 I HN 0.649 nan 8.210 nan 0.000 0.472 6 A N 4.351 127.279 122.820 0.181 0.000 2.332 6 A HA 0.203 4.523 4.320 -0.000 0.000 0.258 6 A C 1.313 178.968 177.584 0.118 0.000 1.087 6 A CA -0.264 51.862 52.037 0.148 0.000 0.802 6 A CB 0.572 19.671 19.000 0.164 0.000 1.042 6 A HN 0.835 nan 8.150 nan 0.000 0.489 7 E N 0.471 120.708 120.200 0.062 0.000 2.110 7 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 7 E C 0.352 177.006 176.600 0.089 0.000 0.988 7 E CA 1.742 58.167 56.400 0.040 0.000 0.804 7 E CB -0.091 29.615 29.700 0.011 0.000 0.745 7 E HN 0.649 nan 8.360 nan 0.000 0.458 8 K N -2.938 117.511 120.400 0.082 0.000 2.556 8 K HA 0.296 4.616 4.320 -0.000 0.000 0.274 8 K C -2.638 173.859 176.600 -0.172 0.000 0.966 8 K CA -1.755 54.551 56.287 0.031 0.000 0.865 8 K CB 1.622 34.134 32.500 0.019 0.000 1.444 8 K HN -0.386 nan 8.250 nan 0.000 0.433 9 P HA -0.351 nan 4.420 nan 0.000 0.217 9 P C 1.576 178.564 177.300 -0.520 0.000 1.162 9 P CA 2.564 65.072 63.100 -0.987 0.000 0.901 9 P CB 0.010 31.221 31.700 -0.814 0.000 0.793 10 S N -1.168 114.362 115.700 -0.283 0.000 2.383 10 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 10 S C 1.994 176.517 174.600 -0.127 0.000 1.030 10 S CA 1.273 59.369 58.200 -0.173 0.000 1.002 10 S CB -1.521 61.643 63.200 -0.060 0.000 0.829 10 S HN 0.079 nan 8.310 nan 0.000 0.467 11 L N 0.593 121.757 121.223 -0.099 0.000 2.179 11 L HA 0.132 4.472 4.340 -0.000 0.000 0.208 11 L C 2.923 179.744 176.870 -0.081 0.000 1.096 11 L CA 0.947 55.750 54.840 -0.063 0.000 0.779 11 L CB -0.676 41.365 42.059 -0.029 0.000 0.922 11 L HN 0.503 nan 8.230 nan 0.000 0.443 12 A N 0.169 122.922 122.820 -0.112 0.000 1.877 12 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 12 A C 2.248 179.749 177.584 -0.139 0.000 1.186 12 A CA 1.618 53.617 52.037 -0.065 0.000 0.620 12 A CB -0.462 18.539 19.000 0.002 0.000 0.822 12 A HN 0.353 nan 8.150 nan 0.000 0.443 13 R N -0.444 119.922 120.500 -0.223 0.000 2.091 13 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 13 R C 2.428 178.635 176.300 -0.155 0.000 1.136 13 R CA 1.323 57.305 56.100 -0.197 0.000 0.959 13 R CB -0.482 29.691 30.300 -0.211 0.000 0.856 13 R HN 0.525 nan 8.270 nan 0.000 0.437 14 A N 0.819 123.563 122.820 -0.126 0.000 1.902 14 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 14 A C 2.119 179.629 177.584 -0.124 0.000 1.181 14 A CA 1.316 53.298 52.037 -0.092 0.000 0.623 14 A CB -0.472 18.497 19.000 -0.052 0.000 0.818 14 A HN 0.204 nan 8.150 nan 0.000 0.443 15 I N -0.312 120.156 120.570 -0.169 0.000 2.163 15 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 15 I C 2.997 178.917 176.117 -0.329 0.000 1.081 15 I CA 1.023 62.154 61.300 -0.281 0.000 1.353 15 I CB -0.426 37.340 38.000 -0.390 0.000 1.054 15 I HN 0.332 nan 8.210 nan 0.000 0.407 16 A N 0.287 122.925 122.820 -0.304 0.000 1.917 16 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 16 A C 2.062 179.403 177.584 -0.405 0.000 1.182 16 A CA 2.288 54.099 52.037 -0.376 0.000 0.633 16 A CB -0.780 18.011 19.000 -0.349 0.000 0.819 16 A HN 0.421 nan 8.150 nan 0.000 0.448 17 D N -0.430 119.829 120.400 -0.235 0.000 2.228 17 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 17 D C 1.634 177.939 176.300 0.007 0.000 0.988 17 D CA 1.908 55.858 54.000 -0.083 0.000 0.864 17 D CB -0.023 40.744 40.800 -0.056 0.000 0.928 17 D HN 0.496 nan 8.370 nan 0.000 0.469 18 V N -1.988 117.897 119.914 -0.049 0.000 3.319 18 V HA 0.339 4.459 4.120 -0.000 0.000 0.317 18 V C 0.563 176.659 176.094 0.003 0.000 1.411 18 V CA -0.463 61.833 62.300 -0.007 0.000 1.112 18 V CB -0.113 31.696 31.823 -0.024 0.000 1.031 18 V HN -0.120 nan 8.190 nan 0.000 0.448 19 L N 1.217 122.443 121.223 0.005 0.000 2.375 19 L HA 0.594 4.934 4.340 -0.000 0.000 0.268 19 L C -2.180 174.817 176.870 0.211 0.000 1.058 19 L CA -2.016 52.858 54.840 0.057 0.000 0.803 19 L CB 1.418 43.458 42.059 -0.031 0.000 1.212 19 L HN 0.043 nan 8.230 nan 0.000 0.451 20 P HA 0.050 nan 4.420 nan 0.000 0.268 20 P C -0.927 176.419 177.300 0.076 0.000 1.208 20 P CA -0.228 62.929 63.100 0.095 0.000 0.777 20 P CB 0.397 32.137 31.700 0.066 0.000 0.875 21 K N 2.260 122.615 120.400 -0.075 0.000 2.098 21 K HA 0.430 4.750 4.320 -0.000 0.000 0.257 21 K C -2.046 174.506 176.600 -0.080 0.000 0.999 21 K CA -1.545 54.607 56.287 -0.225 0.000 0.924 21 K CB -0.433 31.912 32.500 -0.258 0.000 1.028 21 K HN 0.387 nan 8.250 nan 0.000 0.466 22 P HA 0.336 nan 4.420 nan 0.000 0.285 22 P C -1.050 176.243 177.300 -0.012 0.000 1.269 22 P CA -0.473 62.551 63.100 -0.126 0.000 0.844 22 P CB 0.554 32.224 31.700 -0.050 0.000 1.094 23 H N 0.220 119.291 119.070 0.002 0.000 2.746 23 H HA 0.293 4.849 4.556 -0.000 0.000 0.269 23 H C 0.426 175.750 175.328 -0.006 0.000 1.248 23 H CA -0.656 55.391 56.048 -0.001 0.000 1.258 23 H CB 0.587 30.343 29.762 -0.011 0.000 1.441 23 H HN 0.175 nan 8.280 nan 0.000 0.508 24 R N 3.146 123.715 120.500 0.114 0.000 2.288 24 R HA 0.026 4.366 4.340 -0.000 0.000 0.330 24 R C -0.267 176.025 176.300 -0.013 0.000 1.069 24 R CA -0.344 55.785 56.100 0.048 0.000 0.941 24 R CB 0.271 30.605 30.300 0.056 0.000 0.998 24 R HN 0.451 nan 8.270 nan 0.000 0.452 25 K N 3.615 123.994 120.400 -0.035 0.000 2.171 25 K HA 0.109 4.429 4.320 -0.000 0.000 0.274 25 K C 0.235 176.713 176.600 -0.203 0.000 1.110 25 K CA -0.220 56.015 56.287 -0.086 0.000 0.952 25 K CB 0.631 33.109 32.500 -0.037 0.000 1.309 25 K HN 0.784 nan 8.250 nan 0.000 0.414 26 G N 1.620 110.131 108.800 -0.482 0.000 2.489 26 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.271 26 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.271 26 G C -0.658 173.888 174.900 -0.589 0.000 1.427 26 G CA -0.290 44.268 45.100 -0.903 0.000 1.057 26 G HN 0.612 nan 8.290 nan 0.000 0.532 27 D N -1.003 119.084 120.400 -0.522 0.000 2.477 27 D HA 0.441 5.081 4.640 -0.000 0.000 0.239 27 D C 0.946 177.328 176.300 0.138 0.000 1.102 27 D CA 0.360 54.337 54.000 -0.039 0.000 0.901 27 D CB -0.046 40.809 40.800 0.092 0.000 1.026 27 D HN 0.958 nan 8.370 nan 0.000 0.515 28 G N 2.968 111.811 108.800 0.071 0.000 2.141 28 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.242 28 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.242 28 G C -0.017 174.604 174.900 -0.465 0.000 0.982 28 G CA 0.387 45.406 45.100 -0.137 0.000 0.662 28 G HN 0.650 nan 8.290 nan 0.000 0.527 29 F N -2.085 117.669 119.950 -0.328 0.000 2.741 29 F HA 0.802 5.329 4.527 -0.000 0.000 0.311 29 F C -1.089 174.771 175.800 0.100 0.000 1.149 29 F CA -2.589 55.277 58.000 -0.223 0.000 0.930 29 F CB 0.950 39.897 39.000 -0.088 0.000 1.312 29 F HN 0.042 nan 8.300 nan 0.000 0.450 30 I N 1.681 122.348 120.570 0.161 0.000 2.468 30 I HA 0.302 4.472 4.170 -0.000 0.000 0.285 30 I C -0.925 175.236 176.117 0.073 0.000 1.039 30 I CA -0.498 60.828 61.300 0.043 0.000 1.074 30 I CB 1.962 40.002 38.000 0.067 0.000 1.228 30 I HN 0.749 nan 8.210 nan 0.000 0.436 31 E N 5.425 125.672 120.200 0.079 0.000 2.259 31 E HA 0.447 4.797 4.350 -0.000 0.000 0.281 31 E C -1.214 175.451 176.600 0.108 0.000 1.027 31 E CA -0.409 56.061 56.400 0.116 0.000 0.838 31 E CB 1.071 30.877 29.700 0.178 0.000 1.066 31 E HN 0.620 nan 8.360 nan 0.000 0.401 32 C N 2.984 122.350 119.300 0.110 0.000 2.630 32 C HA 0.682 5.142 4.460 -0.000 0.000 0.346 32 C C 0.909 175.985 174.990 0.144 0.000 1.245 32 C CA -0.713 58.415 59.018 0.184 0.000 1.804 32 C CB 1.093 28.911 27.740 0.131 0.000 2.279 32 C HN 0.936 nan 8.230 nan 0.000 0.498 33 G N 0.391 109.278 108.800 0.146 0.000 2.699 33 G HA2 0.322 4.282 3.960 -0.000 0.000 0.246 33 G HA3 0.322 4.282 3.960 -0.000 0.000 0.246 33 G C 0.302 175.252 174.900 0.083 0.000 1.219 33 G CA 0.508 45.660 45.100 0.087 0.000 0.866 33 G HN 1.105 nan 8.290 nan 0.000 0.572 34 N N -1.582 117.156 118.700 0.064 0.000 2.747 34 N HA -0.121 4.619 4.740 -0.000 0.000 0.249 34 N C 1.112 176.660 175.510 0.064 0.000 1.107 34 N CA 2.253 55.340 53.050 0.060 0.000 0.707 34 N CB -1.181 37.345 38.487 0.065 0.000 1.054 34 N HN 2.022 nan 8.380 nan 0.000 0.555 35 G N -0.861 107.977 108.800 0.062 0.000 2.273 35 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.280 35 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.280 35 G C -0.436 174.500 174.900 0.061 0.000 1.047 35 G CA 0.621 45.755 45.100 0.055 0.000 0.869 35 G HN 0.520 nan 8.290 nan 0.000 0.502 36 Q N -0.859 118.991 119.800 0.084 0.000 2.256 36 Q HA 0.660 5.000 4.340 -0.000 0.000 0.257 36 Q C -0.161 175.883 176.000 0.074 0.000 0.936 36 Q CA -0.620 55.255 55.803 0.120 0.000 0.903 36 Q CB 2.645 31.488 28.738 0.174 0.000 1.263 36 Q HN 0.336 nan 8.270 nan 0.000 0.440 37 V N 2.188 122.138 119.914 0.059 0.000 2.569 37 V HA 0.353 4.473 4.120 -0.000 0.000 0.301 37 V C -0.399 175.729 176.094 0.058 0.000 1.044 37 V CA -0.813 61.452 62.300 -0.058 0.000 0.874 37 V CB 2.082 33.668 31.823 -0.396 0.000 1.002 37 V HN 0.495 nan 8.190 nan 0.000 0.424 38 V N 3.852 123.820 119.914 0.090 0.000 2.398 38 V HA 0.667 4.787 4.120 -0.000 0.000 0.286 38 V C 0.298 176.504 176.094 0.187 0.000 1.026 38 V CA -0.002 62.404 62.300 0.176 0.000 0.868 38 V CB 1.649 33.533 31.823 0.102 0.000 0.982 38 V HN 0.946 nan 8.190 nan 0.000 0.443 39 T N 4.031 118.687 114.554 0.170 0.000 2.773 39 T HA 0.824 5.174 4.350 -0.000 0.000 0.278 39 T C -1.854 173.006 174.700 0.266 0.000 1.011 39 T CA -0.525 61.598 62.100 0.038 0.000 1.014 39 T CB 1.615 70.424 68.868 -0.099 0.000 1.293 39 T HN 0.832 nan 8.240 nan 0.000 0.554 40 W N -0.242 121.105 121.300 0.079 0.000 3.213 40 W HA 0.683 5.343 4.660 -0.000 0.000 0.318 40 W C -1.085 175.457 176.519 0.038 0.000 1.248 40 W CA -1.096 56.274 57.345 0.043 0.000 1.187 40 W CB -0.167 29.312 29.460 0.032 0.000 1.403 40 W HN 0.653 nan 8.180 nan 0.000 0.556 41 C N 1.875 121.304 119.300 0.216 0.000 2.553 41 C HA 0.555 5.015 4.460 -0.000 0.000 0.345 41 C C 0.776 175.930 174.990 0.272 0.000 1.369 41 C CA -0.499 58.609 59.018 0.150 0.000 2.447 41 C CB 0.157 27.930 27.740 0.056 0.000 2.358 41 C HN 0.589 nan 8.230 nan 0.000 0.676 42 I N 2.063 122.747 120.570 0.189 0.000 2.778 42 I HA 0.426 4.596 4.170 -0.000 0.000 0.285 42 I C 0.929 177.115 176.117 0.115 0.000 1.236 42 I CA 0.353 61.762 61.300 0.181 0.000 1.089 42 I CB -0.668 37.443 38.000 0.185 0.000 1.601 42 I HN 1.056 nan 8.210 nan 0.000 0.573 43 G N 3.103 111.951 108.800 0.081 0.000 2.575 43 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.267 43 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.267 43 G C -0.030 174.870 174.900 -0.000 0.000 1.264 43 G CA -0.499 44.621 45.100 0.032 0.000 0.935 43 G HN 0.602 nan 8.290 nan 0.000 0.568 44 H N 0.517 119.621 119.070 0.056 0.000 3.034 44 H HA 0.175 4.731 4.556 -0.000 0.000 0.324 44 H C 1.544 176.886 175.328 0.024 0.000 1.015 44 H CA 0.970 57.039 56.048 0.036 0.000 1.429 44 H CB 0.547 30.332 29.762 0.037 0.000 1.429 44 H HN 0.373 nan 8.280 nan 0.000 0.585 45 L N 3.739 125.027 121.223 0.110 0.000 2.513 45 L HA 0.162 4.502 4.340 -0.000 0.000 0.222 45 L C 0.484 177.348 176.870 -0.009 0.000 1.096 45 L CA 0.505 55.371 54.840 0.043 0.000 0.857 45 L CB 0.284 42.349 42.059 0.010 0.000 1.026 45 L HN 0.270 nan 8.230 nan 0.000 0.469 46 L N -0.297 120.929 121.223 0.005 0.000 2.323 46 L HA 0.462 4.802 4.340 -0.000 0.000 0.265 46 L C -0.444 176.406 176.870 -0.034 0.000 1.012 46 L CA -0.596 54.190 54.840 -0.090 0.000 0.820 46 L CB 2.129 44.069 42.059 -0.198 0.000 1.334 46 L HN 0.015 nan 8.230 nan 0.000 0.427 47 E N 0.353 120.520 120.200 -0.055 0.000 2.393 47 E HA 0.419 4.769 4.350 -0.000 0.000 0.273 47 E C -1.447 175.151 176.600 -0.002 0.000 0.918 47 E CA -1.065 55.316 56.400 -0.032 0.000 0.773 47 E CB 1.861 31.573 29.700 0.020 0.000 1.275 47 E HN 0.414 nan 8.360 nan 0.000 0.451 48 Q N 0.627 120.442 119.800 0.025 0.000 2.332 48 Q HA 0.368 4.708 4.340 -0.000 0.000 0.263 48 Q C -0.399 175.672 176.000 0.119 0.000 0.979 48 Q CA -0.049 55.780 55.803 0.044 0.000 0.885 48 Q CB 1.180 29.896 28.738 -0.038 0.000 1.218 48 Q HN 0.603 nan 8.270 nan 0.000 0.405 49 A N 3.385 126.263 122.820 0.096 0.000 2.425 49 A HA 0.094 4.414 4.320 -0.000 0.000 0.242 49 A C -0.208 177.567 177.584 0.317 0.000 1.077 49 A CA -0.535 51.570 52.037 0.114 0.000 0.781 49 A CB 0.383 19.343 19.000 -0.068 0.000 1.020 49 A HN 0.664 nan 8.150 nan 0.000 0.494 50 Q N 1.088 121.079 119.800 0.318 0.000 2.421 50 Q HA 0.110 4.450 4.340 -0.000 0.000 0.255 50 Q C -1.721 174.614 176.000 0.559 0.000 1.013 50 Q CA -1.574 54.499 55.803 0.451 0.000 0.895 50 Q CB -0.323 28.588 28.738 0.289 0.000 1.271 50 Q HN 0.444 nan 8.270 nan 0.000 0.460 51 P HA -0.248 nan 4.420 nan 0.000 0.218 51 P C 0.817 178.475 177.300 0.595 0.000 1.154 51 P CA 1.859 65.347 63.100 0.646 0.000 0.872 51 P CB 0.019 31.890 31.700 0.285 0.000 0.790 52 D N -0.644 119.986 120.400 0.383 0.000 2.309 52 D HA -0.135 4.504 4.640 -0.000 0.000 0.212 52 D C 1.614 177.983 176.300 0.115 0.000 0.968 52 D CA 1.114 55.262 54.000 0.247 0.000 0.882 52 D CB -0.521 40.386 40.800 0.178 0.000 0.918 52 D HN 0.135 nan 8.370 nan 0.000 0.503 53 A N 0.141 122.992 122.820 0.052 0.000 2.019 53 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 53 A C 1.547 178.943 177.584 -0.315 0.000 1.164 53 A CA 0.874 52.789 52.037 -0.202 0.000 0.644 53 A CB -0.760 18.002 19.000 -0.397 0.000 0.805 53 A HN 0.347 nan 8.150 nan 0.000 0.449 54 Y N -1.369 118.968 120.300 0.061 0.000 2.389 54 Y HA 0.213 4.763 4.550 -0.000 0.000 0.292 54 Y C 0.545 176.374 175.900 -0.118 0.000 1.117 54 Y CA 0.470 58.578 58.100 0.012 0.000 1.195 54 Y CB 0.614 39.132 38.460 0.097 0.000 1.076 54 Y HN 0.244 nan 8.280 nan 0.000 0.548 55 D N -1.473 118.846 120.400 -0.135 0.000 2.966 55 D HA 0.174 4.814 4.640 -0.000 0.000 0.222 55 D C 0.213 176.338 176.300 -0.291 0.000 1.292 55 D CA -0.063 53.676 54.000 -0.435 0.000 0.907 55 D CB 1.988 42.114 40.800 -1.124 0.000 1.621 55 D HN -0.096 nan 8.370 nan 0.000 0.557 56 S N 2.576 118.185 115.700 -0.152 0.000 2.374 56 S HA -0.199 4.271 4.470 -0.000 0.000 0.227 56 S C 1.767 176.354 174.600 -0.021 0.000 1.037 56 S CA 1.094 59.263 58.200 -0.053 0.000 1.024 56 S CB -0.057 63.120 63.200 -0.039 0.000 0.861 56 S HN 0.547 nan 8.310 nan 0.000 0.456 57 R N 0.205 120.658 120.500 -0.078 0.000 2.139 57 R HA -0.124 4.216 4.340 -0.000 0.000 0.243 57 R C 1.878 178.278 176.300 0.168 0.000 1.145 57 R CA 1.590 57.698 56.100 0.014 0.000 0.976 57 R CB -0.544 29.749 30.300 -0.012 0.000 0.866 57 R HN 0.588 nan 8.270 nan 0.000 0.449 58 Y N 0.107 120.455 120.300 0.080 0.000 2.483 58 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 58 Y C 2.489 178.467 175.900 0.130 0.000 1.143 58 Y CA -0.188 57.966 58.100 0.090 0.000 1.289 58 Y CB -0.113 38.410 38.460 0.106 0.000 0.983 58 Y HN 0.198 nan 8.280 nan 0.000 0.556 59 A N 0.748 123.738 122.820 0.284 0.000 2.019 59 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 59 A C 1.320 179.083 177.584 0.299 0.000 1.164 59 A CA 0.520 52.714 52.037 0.262 0.000 0.644 59 A CB -0.468 18.636 19.000 0.173 0.000 0.805 59 A HN 0.256 nan 8.150 nan 0.000 0.449 60 R N -0.280 120.373 120.500 0.254 0.000 2.267 60 R HA 0.232 4.572 4.340 -0.000 0.000 0.319 60 R C -1.483 175.025 176.300 0.346 0.000 1.067 60 R CA -0.527 55.718 56.100 0.241 0.000 0.936 60 R CB -0.034 30.357 30.300 0.153 0.000 1.006 60 R HN 0.347 nan 8.270 nan 0.000 0.452 61 W N 5.360 126.668 121.300 0.013 0.000 2.388 61 W HA 0.241 4.901 4.660 -0.000 0.000 0.308 61 W C -0.148 176.358 176.519 -0.022 0.000 1.263 61 W CA -0.288 57.048 57.345 -0.015 0.000 1.286 61 W CB 0.015 29.458 29.460 -0.028 0.000 1.294 61 W HN 0.777 nan 8.180 nan 0.000 0.493 62 N N 0.619 119.397 118.700 0.130 0.000 2.708 62 N HA 0.365 5.105 4.740 -0.000 0.000 0.257 62 N C -0.339 175.154 175.510 -0.028 0.000 1.373 62 N CA -0.833 52.253 53.050 0.059 0.000 0.843 62 N CB 1.069 39.594 38.487 0.063 0.000 1.503 62 N HN 0.192 nan 8.380 nan 0.000 0.504 63 L N -0.259 120.941 121.223 -0.039 0.000 2.131 63 L HA 0.099 4.439 4.340 -0.000 0.000 0.206 63 L C 2.388 179.211 176.870 -0.078 0.000 1.087 63 L CA 1.452 56.242 54.840 -0.083 0.000 0.767 63 L CB -0.637 41.375 42.059 -0.077 0.000 0.917 63 L HN 0.867 nan 8.230 nan 0.000 0.441 64 A N -0.271 122.526 122.820 -0.038 0.000 1.978 64 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 64 A C 1.820 179.387 177.584 -0.028 0.000 1.170 64 A CA 1.965 53.989 52.037 -0.022 0.000 0.636 64 A CB -0.411 18.593 19.000 0.007 0.000 0.810 64 A HN 0.370 nan 8.150 nan 0.000 0.448 65 D N -0.604 119.771 120.400 -0.041 0.000 2.347 65 D HA 0.126 4.766 4.640 -0.000 0.000 0.213 65 D C 0.472 176.653 176.300 -0.197 0.000 0.985 65 D CA 0.223 54.189 54.000 -0.057 0.000 0.879 65 D CB -0.002 40.793 40.800 -0.007 0.000 0.919 65 D HN 0.397 nan 8.370 nan 0.000 0.526 66 L N 2.445 123.537 121.223 -0.217 0.000 2.395 66 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 66 L C -2.051 174.629 176.870 -0.316 0.000 1.133 66 L CA -1.708 52.953 54.840 -0.297 0.000 0.812 66 L CB 0.597 42.483 42.059 -0.288 0.000 1.125 66 L HN -0.216 nan 8.230 nan 0.000 0.452 67 P HA 0.250 nan 4.420 nan 0.000 0.284 67 P C -0.659 176.404 177.300 -0.396 0.000 1.253 67 P CA -0.308 62.519 63.100 -0.455 0.000 0.800 67 P CB 1.013 32.370 31.700 -0.571 0.000 0.961 68 I N 2.588 122.920 120.570 -0.396 0.000 2.363 68 I HA 0.121 4.291 4.170 -0.000 0.000 0.292 68 I C -0.012 176.001 176.117 -0.174 0.000 1.075 68 I CA -0.182 60.882 61.300 -0.393 0.000 1.333 68 I CB 0.631 38.294 38.000 -0.562 0.000 1.415 68 I HN 0.005 nan 8.210 nan 0.000 0.502 69 V N 8.519 128.346 119.914 -0.146 0.000 2.357 69 V HA 0.313 4.433 4.120 -0.000 0.000 0.281 69 V C -2.082 173.845 176.094 -0.279 0.000 1.015 69 V CA -1.616 60.623 62.300 -0.100 0.000 0.827 69 V CB 1.110 32.965 31.823 0.053 0.000 1.018 69 V HN 0.579 nan 8.190 nan 0.000 0.432 70 P HA 0.199 nan 4.420 nan 0.000 0.267 70 P C 0.525 177.495 177.300 -0.550 0.000 1.200 70 P CA 0.069 62.565 63.100 -1.008 0.000 0.772 70 P CB 1.508 31.898 31.700 -2.184 0.000 0.855 71 E N 1.150 121.177 120.200 -0.289 0.000 2.132 71 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 71 E C 0.270 176.840 176.600 -0.051 0.000 0.951 71 E CA 0.600 56.941 56.400 -0.098 0.000 0.843 71 E CB 0.215 29.904 29.700 -0.019 0.000 0.807 71 E HN 0.202 nan 8.360 nan 0.000 0.467 72 K N 0.164 120.542 120.400 -0.037 0.000 2.263 72 K HA 0.187 4.507 4.320 -0.000 0.000 0.272 72 K C -1.431 175.224 176.600 0.091 0.000 1.033 72 K CA -0.460 55.862 56.287 0.058 0.000 0.884 72 K CB 0.479 33.019 32.500 0.066 0.000 1.107 72 K HN -0.059 nan 8.250 nan 0.000 0.460 73 W N 2.727 124.092 121.300 0.108 0.000 2.202 73 W HA 0.195 4.855 4.660 -0.000 0.000 0.332 73 W C 0.237 176.834 176.519 0.130 0.000 1.263 73 W CA -0.003 57.427 57.345 0.141 0.000 1.223 73 W CB 0.807 30.277 29.460 0.017 0.000 1.128 73 W HN 0.397 nan 8.180 nan 0.000 0.573 74 Q N 2.206 122.219 119.800 0.354 0.000 2.394 74 Q HA 0.662 5.002 4.340 -0.000 0.000 0.273 74 Q C -1.005 175.077 176.000 0.137 0.000 1.089 74 Q CA -1.067 54.813 55.803 0.128 0.000 0.812 74 Q CB 2.448 31.099 28.738 -0.145 0.000 1.353 74 Q HN 0.347 nan 8.270 nan 0.000 0.438 75 L N 1.508 122.808 121.223 0.127 0.000 2.354 75 L HA 0.525 4.865 4.340 -0.000 0.000 0.269 75 L C -0.714 176.178 176.870 0.037 0.000 1.005 75 L CA -0.780 54.100 54.840 0.067 0.000 0.819 75 L CB 2.127 44.209 42.059 0.040 0.000 1.311 75 L HN 0.547 nan 8.230 nan 0.000 0.423 76 Q N 2.428 122.208 119.800 -0.034 0.000 2.394 76 Q HA 0.480 4.820 4.340 -0.000 0.000 0.273 76 Q C -2.586 173.328 176.000 -0.144 0.000 1.089 76 Q CA -2.068 53.706 55.803 -0.047 0.000 0.812 76 Q CB 2.315 31.060 28.738 0.012 0.000 1.353 76 Q HN 0.294 nan 8.270 nan 0.000 0.438 77 P HA 0.014 nan 4.420 nan 0.000 0.271 77 P C -0.648 176.627 177.300 -0.042 0.000 1.216 77 P CA -0.053 62.962 63.100 -0.141 0.000 0.771 77 P CB 0.691 32.335 31.700 -0.093 0.000 0.864 78 R N 4.096 124.585 120.500 -0.020 0.000 2.538 78 R HA -0.005 4.335 4.340 -0.000 0.000 0.282 78 R C -1.310 175.003 176.300 0.023 0.000 1.009 78 R CA -0.821 55.291 56.100 0.019 0.000 1.063 78 R CB -0.159 30.166 30.300 0.041 0.000 0.945 78 R HN 0.413 nan 8.270 nan 0.000 0.414 79 P HA -0.154 nan 4.420 nan 0.000 0.215 79 P C 1.156 178.476 177.300 0.032 0.000 1.157 79 P CA 1.252 64.370 63.100 0.030 0.000 0.859 79 P CB 0.124 31.845 31.700 0.034 0.000 0.786 80 S N -0.140 115.583 115.700 0.038 0.000 2.383 80 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 80 S C 1.642 176.268 174.600 0.043 0.000 1.030 80 S CA 1.753 59.978 58.200 0.041 0.000 1.002 80 S CB -1.829 61.399 63.200 0.046 0.000 0.829 80 S HN 0.159 nan 8.310 nan 0.000 0.467 81 V N -1.275 118.666 119.914 0.045 0.000 3.177 81 V HA 0.382 4.502 4.120 -0.000 0.000 0.342 81 V C 1.700 177.812 176.094 0.031 0.000 1.379 81 V CA 0.385 62.714 62.300 0.048 0.000 1.191 81 V CB -0.889 30.973 31.823 0.064 0.000 1.167 81 V HN 0.419 nan 8.190 nan 0.000 0.471 82 T N 0.491 115.060 114.554 0.024 0.000 2.759 82 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 82 T C 1.892 176.598 174.700 0.009 0.000 1.042 82 T CA 2.002 64.111 62.100 0.016 0.000 1.140 82 T CB -0.200 68.679 68.868 0.018 0.000 0.864 82 T HN 0.483 nan 8.240 nan 0.000 0.455 83 K N 0.384 120.790 120.400 0.010 0.000 2.288 83 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 83 K C 2.278 178.868 176.600 -0.017 0.000 1.048 83 K CA 0.762 57.048 56.287 -0.001 0.000 0.956 83 K CB -0.202 32.304 32.500 0.011 0.000 0.746 83 K HN 0.359 nan 8.250 nan 0.000 0.461 84 Q N 0.824 120.617 119.800 -0.013 0.000 2.230 84 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 84 Q C 1.814 177.780 176.000 -0.057 0.000 0.963 84 Q CA 0.699 56.471 55.803 -0.051 0.000 0.866 84 Q CB -0.096 28.622 28.738 -0.033 0.000 0.931 84 Q HN 0.140 nan 8.270 nan 0.000 0.452 85 L N 0.235 121.444 121.223 -0.024 0.000 2.109 85 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 85 L C 1.305 178.163 176.870 -0.020 0.000 1.086 85 L CA 1.595 56.430 54.840 -0.008 0.000 0.760 85 L CB -0.403 41.664 42.059 0.013 0.000 0.910 85 L HN 0.201 nan 8.230 nan 0.000 0.437 86 N N -1.027 117.647 118.700 -0.042 0.000 2.409 86 N HA -0.072 4.668 4.740 -0.000 0.000 0.179 86 N C 1.847 177.263 175.510 -0.157 0.000 1.032 86 N CA 1.217 54.216 53.050 -0.086 0.000 0.898 86 N CB -0.168 38.271 38.487 -0.080 0.000 0.971 86 N HN 0.236 nan 8.380 nan 0.000 0.441 87 V N 1.590 121.419 119.914 -0.141 0.000 2.407 87 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 87 V C 2.160 178.164 176.094 -0.151 0.000 1.055 87 V CA 1.124 63.308 62.300 -0.193 0.000 1.049 87 V CB -0.284 31.476 31.823 -0.105 0.000 0.662 87 V HN 0.215 nan 8.190 nan 0.000 0.455 88 I N -0.597 119.931 120.570 -0.069 0.000 2.286 88 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 88 I C 2.565 178.667 176.117 -0.024 0.000 1.104 88 I CA 1.343 62.645 61.300 0.003 0.000 1.397 88 I CB -0.451 37.554 38.000 0.007 0.000 1.072 88 I HN 0.221 nan 8.210 nan 0.000 0.417 89 K N 1.293 121.650 120.400 -0.071 0.000 2.044 89 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 89 K C 2.341 178.774 176.600 -0.278 0.000 1.049 89 K CA 1.698 57.917 56.287 -0.112 0.000 0.927 89 K CB -0.144 32.279 32.500 -0.130 0.000 0.713 89 K HN 0.128 nan 8.250 nan 0.000 0.443 90 R N -0.665 119.611 120.500 -0.373 0.000 2.112 90 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 90 R C 2.234 178.265 176.300 -0.448 0.000 1.137 90 R CA 2.404 58.180 56.100 -0.540 0.000 0.944 90 R CB -0.286 29.537 30.300 -0.795 0.000 0.857 90 R HN 0.180 nan 8.270 nan 0.000 0.435 91 F N -0.522 119.330 119.950 -0.164 0.000 2.473 91 F HA -0.008 4.519 4.527 -0.000 0.000 0.294 91 F C 1.921 177.701 175.800 -0.034 0.000 1.103 91 F CA 0.145 58.076 58.000 -0.116 0.000 1.442 91 F CB -0.483 38.430 39.000 -0.146 0.000 1.097 91 F HN 0.018 nan 8.300 nan 0.000 0.547 92 L N 0.014 121.336 121.223 0.165 0.000 1.990 92 L HA -0.276 4.064 4.340 -0.000 0.000 0.213 92 L C 2.604 179.581 176.870 0.177 0.000 1.072 92 L CA 2.033 56.963 54.840 0.151 0.000 0.755 92 L CB -1.068 41.082 42.059 0.151 0.000 0.889 92 L HN 0.229 nan 8.230 nan 0.000 0.432 93 H N -0.505 118.564 119.070 -0.001 0.000 2.289 93 H HA -0.230 4.326 4.556 -0.000 0.000 0.294 93 H C 1.782 177.112 175.328 0.003 0.000 1.095 93 H CA 1.765 57.806 56.048 -0.012 0.000 1.256 93 H CB 0.027 29.767 29.762 -0.036 0.000 1.359 93 H HN 0.599 nan 8.280 nan 0.000 0.487 94 E N 1.337 121.632 120.200 0.158 0.000 2.489 94 E HA 0.259 4.609 4.350 -0.000 0.000 0.193 94 E C 0.531 177.181 176.600 0.084 0.000 1.057 94 E CA 0.085 56.547 56.400 0.103 0.000 0.866 94 E CB 0.399 30.157 29.700 0.097 0.000 0.916 94 E HN 0.244 nan 8.360 nan 0.000 0.500 95 A N 0.964 123.833 122.820 0.082 0.000 2.371 95 A HA 0.304 4.624 4.320 -0.000 0.000 0.257 95 A C 0.871 178.466 177.584 0.018 0.000 1.089 95 A CA -0.358 51.705 52.037 0.044 0.000 0.794 95 A CB 1.085 20.104 19.000 0.032 0.000 1.029 95 A HN 0.167 nan 8.150 nan 0.000 0.488 96 S N 0.549 116.251 115.700 0.002 0.000 2.460 96 S HA 0.101 4.571 4.470 -0.000 0.000 0.226 96 S C 0.131 174.718 174.600 -0.021 0.000 1.057 96 S CA 0.622 58.819 58.200 -0.006 0.000 0.948 96 S CB 0.003 63.201 63.200 -0.002 0.000 0.822 96 S HN 0.777 nan 8.310 nan 0.000 0.512 97 E N 0.508 120.683 120.200 -0.041 0.000 2.199 97 E HA 0.578 4.928 4.350 -0.000 0.000 0.265 97 E C -1.175 175.359 176.600 -0.110 0.000 0.882 97 E CA -0.080 56.278 56.400 -0.070 0.000 0.759 97 E CB 1.738 31.389 29.700 -0.083 0.000 1.148 97 E HN 0.190 nan 8.360 nan 0.000 0.412 98 I N 2.445 122.954 120.570 -0.101 0.000 2.441 98 I HA 0.441 4.611 4.170 -0.000 0.000 0.295 98 I C -0.863 175.165 176.117 -0.147 0.000 0.994 98 I CA -1.159 60.075 61.300 -0.110 0.000 1.144 98 I CB 1.646 39.621 38.000 -0.042 0.000 1.314 98 I HN 0.185 nan 8.210 nan 0.000 0.445 99 V N 4.938 124.729 119.914 -0.205 0.000 2.443 99 V HA 0.211 4.331 4.120 -0.000 0.000 0.293 99 V C -0.225 175.858 176.094 -0.017 0.000 1.021 99 V CA -0.711 61.474 62.300 -0.192 0.000 0.848 99 V CB 1.403 32.904 31.823 -0.537 0.000 0.998 99 V HN 0.604 nan 8.190 nan 0.000 0.424 100 H N 4.981 124.012 119.070 -0.066 0.000 3.015 100 H HA 0.462 5.018 4.556 -0.000 0.000 0.268 100 H C 0.228 175.538 175.328 -0.030 0.000 1.113 100 H CA 0.051 56.073 56.048 -0.044 0.000 1.479 100 H CB 1.312 31.028 29.762 -0.076 0.000 1.493 100 H HN 0.723 nan 8.280 nan 0.000 0.486 101 A N 5.084 128.008 122.820 0.174 0.000 3.041 101 A HA 0.382 4.702 4.320 -0.000 0.000 0.307 101 A C 1.069 178.718 177.584 0.109 0.000 1.116 101 A CA -0.082 52.059 52.037 0.173 0.000 1.001 101 A CB -0.305 18.808 19.000 0.188 0.000 1.112 101 A HN 0.741 nan 8.150 nan 0.000 0.556 102 G N -0.393 108.508 108.800 0.168 0.000 2.572 102 G HA2 0.402 4.362 3.960 -0.000 0.000 0.261 102 G HA3 0.402 4.362 3.960 -0.000 0.000 0.261 102 G C -0.552 174.381 174.900 0.054 0.000 1.197 102 G CA -0.362 44.794 45.100 0.094 0.000 0.870 102 G HN 0.341 nan 8.290 nan 0.000 0.548 103 D N 0.548 120.946 120.400 -0.003 0.000 2.506 103 D HA 0.113 4.753 4.640 -0.000 0.000 0.234 103 D C -1.806 174.437 176.300 -0.094 0.000 1.143 103 D CA -0.457 53.498 54.000 -0.076 0.000 0.871 103 D CB 1.061 41.822 40.800 -0.064 0.000 1.190 103 D HN 0.009 nan 8.370 nan 0.000 0.459 104 P HA 0.091 nan 4.420 nan 0.000 0.232 104 P C -1.045 176.199 177.300 -0.093 0.000 1.738 104 P CA 0.035 63.052 63.100 -0.137 0.000 0.948 104 P CB -0.066 31.555 31.700 -0.133 0.000 1.943 105 D N -2.640 117.725 120.400 -0.057 0.000 2.664 105 D HA 0.228 4.868 4.640 -0.000 0.000 0.292 105 D C 1.070 177.385 176.300 0.025 0.000 1.214 105 D CA -1.086 52.912 54.000 -0.004 0.000 0.932 105 D CB 0.736 41.544 40.800 0.013 0.000 1.420 105 D HN -0.247 nan 8.370 nan 0.000 0.471 106 R N -0.390 120.138 120.500 0.047 0.000 2.115 106 R HA -0.247 4.093 4.340 -0.000 0.000 0.239 106 R C 1.649 177.990 176.300 0.067 0.000 1.133 106 R CA 2.429 58.564 56.100 0.058 0.000 0.935 106 R CB -0.206 30.129 30.300 0.058 0.000 0.853 106 R HN 0.596 nan 8.270 nan 0.000 0.433 107 E N -1.121 119.124 120.200 0.076 0.000 2.107 107 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 107 E C 1.738 178.360 176.600 0.036 0.000 0.982 107 E CA 1.349 57.802 56.400 0.088 0.000 0.809 107 E CB -0.284 29.486 29.700 0.117 0.000 0.756 107 E HN 0.514 nan 8.360 nan 0.000 0.459 108 G N 0.065 108.886 108.800 0.034 0.000 2.422 108 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 108 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 108 G C 1.599 176.567 174.900 0.113 0.000 1.146 108 G CA 0.868 45.988 45.100 0.034 0.000 0.769 108 G HN 0.238 nan 8.290 nan 0.000 0.547 109 Q N -0.178 119.672 119.800 0.083 0.000 2.050 109 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 109 Q C 2.363 178.483 176.000 0.200 0.000 0.980 109 Q CA 1.179 57.045 55.803 0.105 0.000 0.840 109 Q CB -0.527 28.226 28.738 0.024 0.000 0.898 109 Q HN 0.388 nan 8.270 nan 0.000 0.424 110 L N 0.186 121.482 121.223 0.122 0.000 2.056 110 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 110 L C 2.075 179.004 176.870 0.099 0.000 1.078 110 L CA 1.838 56.754 54.840 0.126 0.000 0.749 110 L CB -0.765 41.380 42.059 0.144 0.000 0.901 110 L HN 0.526 nan 8.230 nan 0.000 0.433 111 L N -3.364 117.847 121.223 -0.020 0.000 2.291 111 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 111 L C 1.882 178.698 176.870 -0.091 0.000 1.120 111 L CA 0.980 55.726 54.840 -0.156 0.000 0.799 111 L CB -0.552 41.172 42.059 -0.559 0.000 0.925 111 L HN 0.030 nan 8.230 nan 0.000 0.446 112 V N 0.446 120.286 119.914 -0.124 0.000 2.379 112 V HA -0.125 3.995 4.120 -0.000 0.000 0.243 112 V C 2.199 178.251 176.094 -0.069 0.000 1.035 112 V CA 1.633 63.791 62.300 -0.236 0.000 1.035 112 V CB -0.555 30.771 31.823 -0.827 0.000 0.673 112 V HN 0.361 nan 8.190 nan 0.000 0.457 113 D N 0.715 121.157 120.400 0.070 0.000 2.133 113 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 113 D C 2.212 178.574 176.300 0.102 0.000 0.997 113 D CA 1.800 55.878 54.000 0.131 0.000 0.840 113 D CB -0.242 40.661 40.800 0.172 0.000 0.947 113 D HN 0.786 nan 8.370 nan 0.000 0.452 114 E N 0.398 120.657 120.200 0.099 0.000 2.204 114 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 114 E C 2.009 178.681 176.600 0.120 0.000 0.990 114 E CA 0.860 57.326 56.400 0.109 0.000 0.821 114 E CB -0.239 29.531 29.700 0.117 0.000 0.750 114 E HN 0.082 nan 8.360 nan 0.000 0.477 115 V N 1.626 121.593 119.914 0.087 0.000 2.379 115 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 115 V C 2.441 178.613 176.094 0.129 0.000 1.044 115 V CA 1.396 63.755 62.300 0.100 0.000 1.036 115 V CB -0.427 31.421 31.823 0.041 0.000 0.664 115 V HN 0.292 nan 8.190 nan 0.000 0.453 116 L N -0.287 120.990 121.223 0.089 0.000 2.042 116 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 116 L C 2.364 179.291 176.870 0.094 0.000 1.076 116 L CA 1.665 56.555 54.840 0.084 0.000 0.749 116 L CB -0.872 41.230 42.059 0.071 0.000 0.893 116 L HN 0.313 nan 8.230 nan 0.000 0.432 117 D N -0.565 119.901 120.400 0.110 0.000 2.078 117 D HA -0.244 4.396 4.640 -0.000 0.000 0.193 117 D C 1.972 178.339 176.300 0.112 0.000 0.990 117 D CA 1.446 55.506 54.000 0.101 0.000 0.827 117 D CB -0.389 40.476 40.800 0.109 0.000 0.975 117 D HN 0.294 nan 8.370 nan 0.000 0.451 118 Y N 0.967 121.288 120.300 0.035 0.000 2.207 118 Y HA -0.110 4.440 4.550 -0.000 0.000 0.287 118 Y C 1.874 177.792 175.900 0.029 0.000 1.156 118 Y CA 1.321 59.441 58.100 0.032 0.000 1.182 118 Y CB -0.127 38.355 38.460 0.036 0.000 0.979 118 Y HN -0.054 nan 8.280 nan 0.000 0.521 119 L N 0.490 121.780 121.223 0.112 0.000 2.592 119 L HA 0.036 4.376 4.340 -0.000 0.000 0.227 119 L C 0.162 177.036 176.870 0.006 0.000 1.127 119 L CA 0.269 55.134 54.840 0.042 0.000 0.884 119 L CB -0.462 41.676 42.059 0.132 0.000 1.065 119 L HN 0.214 nan 8.230 nan 0.000 0.457 120 Q N 0.949 120.742 119.800 -0.013 0.000 2.453 120 Q HA -0.202 4.138 4.340 -0.000 0.000 0.350 120 Q C -0.406 175.575 176.000 -0.032 0.000 1.447 120 Q CA 0.184 55.969 55.803 -0.030 0.000 0.968 120 Q CB -1.007 27.692 28.738 -0.065 0.000 1.175 120 Q HN 0.223 nan 8.270 nan 0.000 0.354 121 L N 0.631 121.850 121.223 -0.006 0.000 2.416 121 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 121 L C 0.335 177.188 176.870 -0.029 0.000 1.161 121 L CA 0.945 55.774 54.840 -0.019 0.000 0.845 121 L CB 0.759 42.826 42.059 0.014 0.000 1.119 121 L HN 0.408 nan 8.230 nan 0.000 0.464 122 A N 7.046 129.833 122.820 -0.055 0.000 2.553 122 A HA 0.200 4.520 4.320 -0.000 0.000 0.258 122 A C -1.420 176.154 177.584 -0.016 0.000 1.069 122 A CA -0.594 51.416 52.037 -0.045 0.000 0.767 122 A CB -0.713 18.252 19.000 -0.059 0.000 0.997 122 A HN 0.828 nan 8.150 nan 0.000 0.512 123 P HA -0.248 nan 4.420 nan 0.000 0.218 123 P C 1.339 178.650 177.300 0.019 0.000 1.150 123 P CA 1.820 64.930 63.100 0.017 0.000 0.841 123 P CB 0.257 31.965 31.700 0.013 0.000 0.784 124 E N 0.016 120.219 120.200 0.005 0.000 2.051 124 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 124 E C 1.737 178.338 176.600 0.002 0.000 0.991 124 E CA 1.316 57.717 56.400 0.003 0.000 0.799 124 E CB -0.173 29.524 29.700 -0.005 0.000 0.748 124 E HN 0.155 nan 8.360 nan 0.000 0.449 125 K N -0.080 120.319 120.400 -0.003 0.000 2.228 125 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 125 K C 2.274 178.877 176.600 0.006 0.000 1.051 125 K CA 0.757 57.042 56.287 -0.004 0.000 0.960 125 K CB -0.015 32.478 32.500 -0.011 0.000 0.743 125 K HN -0.002 nan 8.250 nan 0.000 0.458 126 R N 1.034 121.544 120.500 0.016 0.000 2.092 126 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 126 R C 2.189 178.505 176.300 0.027 0.000 1.119 126 R CA 1.399 57.519 56.100 0.032 0.000 0.970 126 R CB 0.005 30.336 30.300 0.052 0.000 0.864 126 R HN -0.033 nan 8.270 nan 0.000 0.440 127 Q N -0.057 119.757 119.800 0.023 0.000 2.291 127 Q HA -0.089 4.251 4.340 -0.000 0.000 0.205 127 Q C 1.434 177.433 176.000 -0.002 0.000 0.970 127 Q CA 1.386 57.194 55.803 0.008 0.000 0.876 127 Q CB 0.239 28.986 28.738 0.015 0.000 0.935 127 Q HN 0.365 nan 8.270 nan 0.000 0.455 128 Q N -0.900 118.900 119.800 0.000 0.000 2.398 128 Q HA 0.108 4.448 4.340 -0.000 0.000 0.204 128 Q C 0.008 176.003 176.000 -0.008 0.000 0.932 128 Q CA 0.060 55.859 55.803 -0.006 0.000 0.916 128 Q CB 0.198 28.930 28.738 -0.009 0.000 1.024 128 Q HN 0.149 nan 8.270 nan 0.000 0.504 129 V N 3.186 123.100 119.914 0.001 0.000 2.681 129 V HA -0.151 3.969 4.120 -0.000 0.000 0.306 129 V C 0.688 176.785 176.094 0.005 0.000 1.077 129 V CA 0.885 63.188 62.300 0.005 0.000 1.224 129 V CB 0.093 31.936 31.823 0.033 0.000 0.879 129 V HN 0.240 nan 8.190 nan 0.000 0.494 130 Q N 3.384 123.177 119.800 -0.013 0.000 2.248 130 Q HA 0.624 4.964 4.340 -0.000 0.000 0.263 130 Q C -0.500 175.491 176.000 -0.014 0.000 1.007 130 Q CA -1.102 54.693 55.803 -0.013 0.000 0.877 130 Q CB 2.242 30.959 28.738 -0.035 0.000 1.315 130 Q HN 0.539 nan 8.270 nan 0.000 0.454 131 R N 0.538 121.015 120.500 -0.037 0.000 2.343 131 R HA 0.336 4.676 4.340 -0.000 0.000 0.320 131 R C -1.595 174.659 176.300 -0.077 0.000 0.956 131 R CA -0.230 55.781 56.100 -0.147 0.000 0.836 131 R CB 0.889 30.944 30.300 -0.408 0.000 1.151 131 R HN 0.689 nan 8.270 nan 0.000 0.450 132 C N 6.966 126.252 119.300 -0.022 0.000 2.281 132 C HA 0.569 5.029 4.460 -0.000 0.000 0.325 132 C C -0.837 174.144 174.990 -0.015 0.000 1.282 132 C CA -0.794 58.246 59.018 0.037 0.000 1.640 132 C CB -0.565 27.272 27.740 0.162 0.000 2.288 132 C HN 0.793 nan 8.230 nan 0.000 0.507 133 L N 7.801 129.008 121.223 -0.026 0.000 2.294 133 L HA 0.581 4.921 4.340 -0.000 0.000 0.283 133 L C -0.367 176.490 176.870 -0.023 0.000 1.015 133 L CA -0.141 54.667 54.840 -0.053 0.000 0.831 133 L CB 0.873 42.896 42.059 -0.061 0.000 1.217 133 L HN 0.557 nan 8.230 nan 0.000 0.420 134 I N 3.524 124.071 120.570 -0.038 0.000 2.439 134 I HA 0.217 4.387 4.170 -0.000 0.000 0.283 134 I C -0.102 175.974 176.117 -0.069 0.000 1.023 134 I CA -0.364 60.921 61.300 -0.025 0.000 1.100 134 I CB 1.673 39.668 38.000 -0.009 0.000 1.238 134 I HN 0.624 nan 8.210 nan 0.000 0.445 135 N N 2.600 121.274 118.700 -0.043 0.000 2.184 135 N HA 0.107 4.847 4.740 -0.000 0.000 0.206 135 N C -0.443 175.103 175.510 0.061 0.000 1.151 135 N CA -0.176 52.833 53.050 -0.069 0.000 0.878 135 N CB 0.484 38.928 38.487 -0.072 0.000 1.014 135 N HN 0.427 nan 8.380 nan 0.000 0.512 136 D N 0.253 120.721 120.400 0.114 0.000 2.763 136 D HA 0.211 4.851 4.640 -0.000 0.000 0.235 136 D C 0.077 176.500 176.300 0.204 0.000 1.334 136 D CA -0.495 53.649 54.000 0.241 0.000 0.950 136 D CB 1.232 42.171 40.800 0.232 0.000 1.433 136 D HN -0.022 nan 8.370 nan 0.000 0.580 137 L N 2.121 123.489 121.223 0.243 0.000 2.599 137 L HA 0.141 4.481 4.340 -0.000 0.000 0.230 137 L C 0.419 177.377 176.870 0.147 0.000 1.141 137 L CA -0.103 54.835 54.840 0.162 0.000 0.877 137 L CB -0.467 41.681 42.059 0.149 0.000 1.009 137 L HN 0.222 nan 8.230 nan 0.000 0.447 138 N N 1.135 119.951 118.700 0.194 0.000 2.411 138 N HA -0.004 4.736 4.740 -0.000 0.000 0.261 138 N C -1.557 173.999 175.510 0.077 0.000 1.248 138 N CA -1.030 52.088 53.050 0.113 0.000 0.885 138 N CB 0.762 39.316 38.487 0.110 0.000 1.062 138 N HN -0.128 nan 8.380 nan 0.000 0.471 139 P HA -0.173 nan 4.420 nan 0.000 0.220 139 P C 0.721 178.041 177.300 0.033 0.000 1.144 139 P CA 1.365 64.483 63.100 0.029 0.000 0.800 139 P CB 0.339 32.051 31.700 0.020 0.000 0.772 140 Q N -1.383 118.444 119.800 0.044 0.000 2.163 140 Q HA 0.048 4.388 4.340 -0.000 0.000 0.198 140 Q C 2.217 178.251 176.000 0.058 0.000 0.954 140 Q CA 1.200 57.031 55.803 0.046 0.000 0.851 140 Q CB -0.508 28.259 28.738 0.047 0.000 0.928 140 Q HN 0.161 nan 8.270 nan 0.000 0.459 141 A N 0.163 123.030 122.820 0.078 0.000 1.929 141 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 141 A C 2.251 179.873 177.584 0.064 0.000 1.176 141 A CA 1.021 53.109 52.037 0.085 0.000 0.628 141 A CB -0.571 18.504 19.000 0.124 0.000 0.816 141 A HN 0.195 nan 8.150 nan 0.000 0.444 142 V N 0.064 120.010 119.914 0.054 0.000 2.343 142 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 142 V C 2.492 178.596 176.094 0.018 0.000 1.051 142 V CA 2.372 64.688 62.300 0.026 0.000 1.036 142 V CB -0.749 31.077 31.823 0.005 0.000 0.654 142 V HN 0.752 nan 8.190 nan 0.000 0.451 143 E N -0.016 120.197 120.200 0.022 0.000 2.077 143 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 143 E C 2.490 179.113 176.600 0.038 0.000 0.989 143 E CA 1.328 57.743 56.400 0.025 0.000 0.800 143 E CB -0.097 29.619 29.700 0.027 0.000 0.746 143 E HN 0.428 nan 8.360 nan 0.000 0.452 144 R N -0.310 120.217 120.500 0.044 0.000 2.081 144 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 144 R C 2.186 178.517 176.300 0.051 0.000 1.131 144 R CA 1.178 57.307 56.100 0.047 0.000 0.960 144 R CB -0.204 30.126 30.300 0.050 0.000 0.856 144 R HN 0.182 nan 8.270 nan 0.000 0.436 145 A N 0.434 123.284 122.820 0.051 0.000 2.067 145 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 145 A C 1.934 179.564 177.584 0.077 0.000 1.158 145 A CA 0.998 53.068 52.037 0.055 0.000 0.661 145 A CB -0.268 18.759 19.000 0.046 0.000 0.801 145 A HN 0.319 nan 8.150 nan 0.000 0.452 146 I N -0.851 119.770 120.570 0.085 0.000 3.030 146 I HA -0.061 4.109 4.170 -0.000 0.000 0.270 146 I C 1.043 177.228 176.117 0.113 0.000 1.211 146 I CA 0.600 61.983 61.300 0.137 0.000 1.479 146 I CB -0.081 37.996 38.000 0.129 0.000 1.105 146 I HN 0.105 nan 8.210 nan 0.000 0.447 147 D N 1.065 121.512 120.400 0.079 0.000 2.348 147 D HA 0.052 4.692 4.640 -0.000 0.000 0.211 147 D C 1.117 177.451 176.300 0.056 0.000 0.998 147 D CA 0.624 54.663 54.000 0.064 0.000 0.873 147 D CB 0.221 41.053 40.800 0.052 0.000 0.925 147 D HN 0.201 nan 8.370 nan 0.000 0.524 148 R N 0.515 121.050 120.500 0.058 0.000 2.989 148 R HA 0.295 4.635 4.340 -0.000 0.000 0.340 148 R C -0.247 176.087 176.300 0.056 0.000 1.205 148 R CA -0.292 55.839 56.100 0.051 0.000 1.235 148 R CB 0.497 30.825 30.300 0.047 0.000 1.394 148 R HN -0.007 nan 8.270 nan 0.000 0.598 149 L N 1.387 122.645 121.223 0.057 0.000 2.461 149 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 149 L C 0.797 177.700 176.870 0.056 0.000 1.197 149 L CA 0.480 55.352 54.840 0.053 0.000 0.836 149 L CB 0.342 42.426 42.059 0.042 0.000 1.105 149 L HN 0.129 nan 8.230 nan 0.000 0.477 150 R N 0.769 121.314 120.500 0.074 0.000 2.828 150 R HA 0.473 4.813 4.340 -0.000 0.000 0.264 150 R C -0.580 175.783 176.300 0.104 0.000 1.022 150 R CA -0.783 55.385 56.100 0.114 0.000 1.021 150 R CB 1.913 32.355 30.300 0.235 0.000 1.163 150 R HN 0.708 nan 8.270 nan 0.000 0.494 151 S N 0.149 115.908 115.700 0.098 0.000 2.525 151 S HA 0.081 4.551 4.470 -0.000 0.000 0.278 151 S C 0.641 175.327 174.600 0.143 0.000 1.234 151 S CA -0.800 57.444 58.200 0.073 0.000 1.058 151 S CB 1.514 64.729 63.200 0.025 0.000 0.983 151 S HN 0.646 nan 8.310 nan 0.000 0.495 152 N N 2.480 121.239 118.700 0.100 0.000 2.272 152 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 152 N C 1.866 177.457 175.510 0.135 0.000 1.014 152 N CA 1.561 54.687 53.050 0.126 0.000 0.870 152 N CB -0.435 38.072 38.487 0.035 0.000 0.975 152 N HN 0.795 nan 8.380 nan 0.000 0.433 153 S N -0.304 115.409 115.700 0.021 0.000 2.419 153 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 153 S C 1.588 176.130 174.600 -0.098 0.000 1.019 153 S CA 1.038 59.189 58.200 -0.082 0.000 0.982 153 S CB -0.474 62.652 63.200 -0.123 0.000 0.789 153 S HN 0.419 nan 8.310 nan 0.000 0.490 154 E N 0.185 120.329 120.200 -0.094 0.000 2.265 154 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 154 E C 0.509 176.815 176.600 -0.491 0.000 0.996 154 E CA 0.982 57.188 56.400 -0.323 0.000 0.832 154 E CB -0.212 29.210 29.700 -0.462 0.000 0.756 154 E HN 0.738 nan 8.360 nan 0.000 0.491 155 F N -0.980 118.912 119.950 -0.096 0.000 2.639 155 F HA 0.087 4.614 4.527 -0.000 0.000 0.302 155 F C 1.542 177.306 175.800 -0.059 0.000 1.097 155 F CA -0.254 57.694 58.000 -0.087 0.000 1.294 155 F CB 0.410 39.330 39.000 -0.132 0.000 1.027 155 F HN -0.149 nan 8.300 nan 0.000 0.550 156 V N 1.559 121.498 119.914 0.042 0.000 2.255 156 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 156 V C -0.155 175.993 176.094 0.090 0.000 1.051 156 V CA 2.060 64.390 62.300 0.051 0.000 1.018 156 V CB -1.490 30.322 31.823 -0.018 0.000 0.641 156 V HN 0.171 nan 8.190 nan 0.000 0.445 157 P HA -0.189 nan 4.420 nan 0.000 0.216 157 P C 1.919 179.279 177.300 0.100 0.000 1.157 157 P CA 1.405 64.584 63.100 0.131 0.000 0.880 157 P CB -0.116 31.611 31.700 0.044 0.000 0.791 158 L N -0.583 120.685 121.223 0.075 0.000 2.046 158 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 158 L C 2.523 179.443 176.870 0.083 0.000 1.077 158 L CA 1.782 56.673 54.840 0.084 0.000 0.747 158 L CB -1.511 40.631 42.059 0.138 0.000 0.896 158 L HN 0.059 nan 8.230 nan 0.000 0.432 159 C N -1.724 117.637 119.300 0.102 0.000 2.425 159 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 159 C C 2.710 177.746 174.990 0.075 0.000 1.280 159 C CA 1.026 60.100 59.018 0.093 0.000 1.744 159 C CB -0.840 26.964 27.740 0.107 0.000 1.989 159 C HN 0.460 nan 8.230 nan 0.000 0.491 160 V N 1.902 121.869 119.914 0.090 0.000 2.343 160 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 160 V C 2.800 178.916 176.094 0.037 0.000 1.051 160 V CA 2.485 64.841 62.300 0.093 0.000 1.036 160 V CB -0.864 31.046 31.823 0.146 0.000 0.654 160 V HN 0.833 nan 8.190 nan 0.000 0.451 161 S N 1.124 116.821 115.700 -0.005 0.000 2.356 161 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 161 S C 2.156 176.688 174.600 -0.113 0.000 1.032 161 S CA 1.391 59.529 58.200 -0.103 0.000 1.005 161 S CB -0.676 62.480 63.200 -0.074 0.000 0.867 161 S HN 0.577 nan 8.310 nan 0.000 0.449 162 A N 1.923 124.726 122.820 -0.028 0.000 1.883 162 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 162 A C 2.296 179.864 177.584 -0.026 0.000 1.186 162 A CA 1.716 53.752 52.037 -0.002 0.000 0.624 162 A CB -1.024 18.006 19.000 0.051 0.000 0.822 162 A HN 0.527 nan 8.150 nan 0.000 0.444 163 L N -0.500 120.709 121.223 -0.022 0.000 2.046 163 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 163 L C 2.774 179.584 176.870 -0.100 0.000 1.077 163 L CA 2.051 56.860 54.840 -0.051 0.000 0.747 163 L CB -0.546 41.501 42.059 -0.021 0.000 0.896 163 L HN 0.367 nan 8.230 nan 0.000 0.432 164 A N -0.664 122.091 122.820 -0.108 0.000 1.877 164 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 164 A C 2.485 179.852 177.584 -0.363 0.000 1.186 164 A CA 1.616 53.482 52.037 -0.284 0.000 0.620 164 A CB -0.675 17.963 19.000 -0.602 0.000 0.822 164 A HN 0.398 nan 8.150 nan 0.000 0.443 165 R N -0.041 120.254 120.500 -0.342 0.000 2.094 165 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 165 R C 2.350 178.664 176.300 0.024 0.000 1.137 165 R CA 1.939 57.959 56.100 -0.134 0.000 0.943 165 R CB -0.955 29.328 30.300 -0.028 0.000 0.850 165 R HN 0.460 nan 8.270 nan 0.000 0.433 166 A N 0.861 123.673 122.820 -0.013 0.000 1.940 166 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 166 A C 2.332 179.913 177.584 -0.006 0.000 1.176 166 A CA 1.653 53.697 52.037 0.012 0.000 0.631 166 A CB -0.387 18.586 19.000 -0.046 0.000 0.814 166 A HN 0.372 nan 8.150 nan 0.000 0.446 167 R N -0.996 119.400 120.500 -0.173 0.000 2.075 167 R HA 0.107 4.447 4.340 -0.000 0.000 0.226 167 R C 2.529 178.883 176.300 0.090 0.000 1.114 167 R CA 0.955 56.850 56.100 -0.342 0.000 0.972 167 R CB -0.370 29.414 30.300 -0.860 0.000 0.869 167 R HN 0.484 nan 8.270 nan 0.000 0.437 168 A N 1.397 124.259 122.820 0.070 0.000 1.902 168 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 168 A C 1.573 179.420 177.584 0.437 0.000 1.181 168 A CA 1.682 53.790 52.037 0.118 0.000 0.623 168 A CB -0.375 18.413 19.000 -0.352 0.000 0.818 168 A HN 0.159 nan 8.150 nan 0.000 0.443 169 D N -1.681 119.018 120.400 0.498 0.000 2.144 169 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 169 D C 1.612 178.192 176.300 0.467 0.000 0.984 169 D CA 1.145 55.471 54.000 0.544 0.000 0.834 169 D CB -0.280 40.769 40.800 0.415 0.000 0.955 169 D HN 0.763 nan 8.370 nan 0.000 0.465 170 W N 1.394 122.844 121.300 0.249 0.000 2.379 170 W HA -0.083 4.577 4.660 -0.000 0.000 0.307 170 W C 2.195 178.852 176.519 0.230 0.000 1.200 170 W CA 0.806 58.289 57.345 0.231 0.000 1.297 170 W CB -0.411 29.212 29.460 0.272 0.000 1.140 170 W HN -0.127 nan 8.180 nan 0.000 0.507 171 L N -0.356 121.317 121.223 0.750 0.000 1.997 171 L HA -0.320 4.020 4.340 -0.000 0.000 0.216 171 L C 2.488 179.490 176.870 0.221 0.000 1.074 171 L CA 2.160 57.295 54.840 0.491 0.000 0.763 171 L CB -1.304 41.043 42.059 0.480 0.000 0.890 171 L HN 0.164 nan 8.230 nan 0.000 0.434 172 Y N 0.173 120.590 120.300 0.196 0.000 2.153 172 Y HA -0.099 4.451 4.550 -0.000 0.000 0.289 172 Y C 2.291 178.203 175.900 0.021 0.000 1.127 172 Y CA 1.561 59.745 58.100 0.139 0.000 1.131 172 Y CB -0.670 37.957 38.460 0.278 0.000 0.995 172 Y HN 0.053 nan 8.280 nan 0.000 0.505 173 G N 0.881 109.738 108.800 0.095 0.000 2.414 173 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 173 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 173 G C 1.549 176.299 174.900 -0.250 0.000 1.188 173 G CA 1.176 46.239 45.100 -0.062 0.000 0.783 173 G HN 0.360 nan 8.290 nan 0.000 0.537 174 I N 1.771 122.105 120.570 -0.394 0.000 2.163 174 I HA -0.143 4.027 4.170 -0.000 0.000 0.243 174 I C 2.419 178.204 176.117 -0.553 0.000 1.085 174 I CA 0.936 61.879 61.300 -0.595 0.000 1.347 174 I CB -1.140 36.205 38.000 -1.092 0.000 1.044 174 I HN 0.166 nan 8.210 nan 0.000 0.408 175 N N 0.326 118.739 118.700 -0.478 0.000 2.106 175 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 175 N C 1.821 177.123 175.510 -0.347 0.000 1.029 175 N CA 1.220 54.020 53.050 -0.417 0.000 0.848 175 N CB -0.110 38.176 38.487 -0.334 0.000 1.007 175 N HN 0.248 nan 8.380 nan 0.000 0.423 176 M N 0.696 120.093 119.600 -0.338 0.000 2.159 176 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 176 M C 1.950 178.191 176.300 -0.098 0.000 1.063 176 M CA 1.124 56.294 55.300 -0.217 0.000 1.110 176 M CB -1.438 30.898 32.600 -0.440 0.000 1.374 176 M HN 0.050 nan 8.290 nan 0.000 0.411 177 T N 0.358 114.790 114.554 -0.203 0.000 2.777 177 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 177 T C 2.027 176.609 174.700 -0.198 0.000 1.040 177 T CA 1.082 63.103 62.100 -0.132 0.000 1.141 177 T CB -0.101 68.681 68.868 -0.142 0.000 0.868 177 T HN 0.361 nan 8.240 nan 0.000 0.444 178 R N 0.903 121.115 120.500 -0.480 0.000 2.080 178 R HA -0.049 4.291 4.340 -0.000 0.000 0.236 178 R C 2.835 178.983 176.300 -0.253 0.000 1.137 178 R CA 1.434 57.161 56.100 -0.620 0.000 0.943 178 R CB -0.619 29.184 30.300 -0.827 0.000 0.846 178 R HN 0.365 nan 8.270 nan 0.000 0.431 179 A N 0.600 123.271 122.820 -0.248 0.000 1.851 179 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 179 A C 1.992 179.370 177.584 -0.343 0.000 1.195 179 A CA 1.496 53.361 52.037 -0.287 0.000 0.622 179 A CB -0.909 17.889 19.000 -0.337 0.000 0.831 179 A HN 0.361 nan 8.150 nan 0.000 0.444 180 Y N 0.301 120.522 120.300 -0.131 0.000 2.314 180 Y HA -0.105 4.445 4.550 -0.000 0.000 0.293 180 Y C 2.973 178.764 175.900 -0.181 0.000 1.129 180 Y CA 1.614 59.623 58.100 -0.150 0.000 1.201 180 Y CB -0.799 37.587 38.460 -0.123 0.000 0.999 180 Y HN 0.272 nan 8.280 nan 0.000 0.541 181 T N 0.500 115.097 114.554 0.072 0.000 2.746 181 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 181 T C 1.952 176.686 174.700 0.057 0.000 1.039 181 T CA 1.659 63.839 62.100 0.132 0.000 1.142 181 T CB -0.440 68.646 68.868 0.364 0.000 0.866 181 T HN 0.252 nan 8.240 nan 0.000 0.444 182 I N 0.608 121.203 120.570 0.041 0.000 2.252 182 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 182 I C 2.187 178.255 176.117 -0.081 0.000 1.102 182 I CA 1.075 62.382 61.300 0.011 0.000 1.385 182 I CB -0.388 37.623 38.000 0.017 0.000 1.064 182 I HN 0.193 nan 8.210 nan 0.000 0.414 183 L N 0.390 121.503 121.223 -0.184 0.000 2.042 183 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 183 L C 2.682 179.370 176.870 -0.303 0.000 1.076 183 L CA 1.658 56.377 54.840 -0.201 0.000 0.749 183 L CB -1.233 40.701 42.059 -0.207 0.000 0.893 183 L HN 0.320 nan 8.230 nan 0.000 0.432 184 G N -0.441 108.032 108.800 -0.544 0.000 2.422 184 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 184 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 184 G C 1.760 176.630 174.900 -0.050 0.000 1.146 184 G CA 0.227 45.014 45.100 -0.522 0.000 0.769 184 G HN 0.177 nan 8.290 nan 0.000 0.547 185 R N 0.606 121.104 120.500 -0.004 0.000 2.066 185 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 185 R C 2.251 178.574 176.300 0.038 0.000 1.131 185 R CA 1.047 57.172 56.100 0.041 0.000 0.955 185 R CB -0.753 29.563 30.300 0.026 0.000 0.851 185 R HN 0.277 nan 8.270 nan 0.000 0.432 186 N N 1.100 119.814 118.700 0.024 0.000 2.334 186 N HA -0.150 4.590 4.740 -0.000 0.000 0.187 186 N C 1.323 176.875 175.510 0.070 0.000 1.016 186 N CA 1.439 54.512 53.050 0.039 0.000 0.879 186 N CB -0.092 38.414 38.487 0.031 0.000 0.965 186 N HN 0.257 nan 8.380 nan 0.000 0.438 187 A N -0.899 121.983 122.820 0.103 0.000 2.308 187 A HA 0.508 4.828 4.320 -0.000 0.000 0.217 187 A C 1.467 179.141 177.584 0.149 0.000 1.216 187 A CA 0.700 52.830 52.037 0.154 0.000 0.864 187 A CB 0.179 19.343 19.000 0.273 0.000 0.902 187 A HN 0.294 nan 8.150 nan 0.000 0.499 188 G N -2.210 106.666 108.800 0.126 0.000 2.184 188 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.206 188 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.206 188 G C -0.053 174.934 174.900 0.144 0.000 0.995 188 G CA 0.055 45.223 45.100 0.113 0.000 0.651 188 G HN 0.595 nan 8.290 nan 0.000 0.511 189 Y N 1.828 122.150 120.300 0.037 0.000 2.393 189 Y HA 0.536 5.086 4.550 -0.000 0.000 0.338 189 Y C 1.464 177.371 175.900 0.011 0.000 1.029 189 Y CA 0.636 58.758 58.100 0.037 0.000 1.239 189 Y CB 1.188 39.667 38.460 0.032 0.000 1.170 189 Y HN 0.212 nan 8.280 nan 0.000 0.515 190 Q N 3.531 123.056 119.800 -0.458 0.000 2.212 190 Q HA 0.144 4.484 4.340 -0.000 0.000 0.199 190 Q C 1.068 176.822 176.000 -0.411 0.000 0.950 190 Q CA 0.607 56.206 55.803 -0.340 0.000 0.863 190 Q CB 0.073 28.660 28.738 -0.251 0.000 0.944 190 Q HN 0.985 nan 8.270 nan 0.000 0.465 191 G N -0.289 108.014 108.800 -0.829 0.000 2.611 191 G HA2 0.303 4.263 3.960 -0.000 0.000 0.273 191 G HA3 0.303 4.263 3.960 -0.000 0.000 0.273 191 G C -0.794 174.146 174.900 0.066 0.000 1.305 191 G CA -0.568 44.305 45.100 -0.378 0.000 1.010 191 G HN 0.099 nan 8.290 nan 0.000 0.509 192 V N 0.280 120.295 119.914 0.169 0.000 2.407 192 V HA 0.259 4.379 4.120 -0.000 0.000 0.278 192 V C 0.222 176.545 176.094 0.382 0.000 1.037 192 V CA -0.318 62.127 62.300 0.242 0.000 0.900 192 V CB 1.324 33.240 31.823 0.154 0.000 0.983 192 V HN 0.451 nan 8.190 nan 0.000 0.459 193 L N 5.551 126.991 121.223 0.363 0.000 2.407 193 L HA 0.317 4.657 4.340 -0.000 0.000 0.261 193 L C 0.693 177.724 176.870 0.268 0.000 1.108 193 L CA -0.081 54.971 54.840 0.352 0.000 0.995 193 L CB 0.613 42.735 42.059 0.105 0.000 1.349 193 L HN 0.796 nan 8.230 nan 0.000 0.423 194 S N 1.472 117.364 115.700 0.320 0.000 2.580 194 S HA 0.651 5.121 4.470 -0.000 0.000 0.274 194 S C -0.149 174.523 174.600 0.120 0.000 1.329 194 S CA -0.724 57.589 58.200 0.188 0.000 1.036 194 S CB 2.128 65.429 63.200 0.169 0.000 0.919 194 S HN 0.171 nan 8.310 nan 0.000 0.515 195 V N 1.465 121.385 119.914 0.011 0.000 2.686 195 V HA 0.867 4.987 4.120 -0.000 0.000 0.306 195 V C 0.420 176.499 176.094 -0.025 0.000 1.065 195 V CA -0.153 62.110 62.300 -0.062 0.000 0.894 195 V CB 1.779 33.475 31.823 -0.212 0.000 1.004 195 V HN 1.297 nan 8.190 nan 0.000 0.424 196 G N 2.340 111.190 108.800 0.083 0.000 2.698 196 G HA2 0.485 4.445 3.960 -0.000 0.000 0.293 196 G HA3 0.485 4.445 3.960 -0.000 0.000 0.293 196 G C 0.009 175.041 174.900 0.220 0.000 1.437 196 G CA -0.593 44.628 45.100 0.202 0.000 0.852 196 G HN 0.625 nan 8.290 nan 0.000 0.499 197 R N -0.203 120.380 120.500 0.138 0.000 2.105 197 R HA -0.084 4.256 4.340 -0.000 0.000 0.239 197 R C 1.701 177.906 176.300 -0.158 0.000 1.135 197 R CA 2.271 58.240 56.100 -0.219 0.000 0.967 197 R CB -0.114 29.879 30.300 -0.511 0.000 0.861 197 R HN 0.340 nan 8.270 nan 0.000 0.442 198 V N 0.813 120.687 119.914 -0.066 0.000 2.521 198 V HA -0.149 3.971 4.120 -0.000 0.000 0.239 198 V C 2.356 178.430 176.094 -0.032 0.000 1.053 198 V CA 1.435 63.700 62.300 -0.058 0.000 1.073 198 V CB -0.233 31.572 31.823 -0.030 0.000 0.746 198 V HN 0.474 nan 8.190 nan 0.000 0.476 199 Q N 0.456 120.261 119.800 0.009 0.000 2.119 199 Q HA -0.169 4.171 4.340 -0.000 0.000 0.201 199 Q C 1.914 177.923 176.000 0.016 0.000 0.972 199 Q CA 2.288 58.106 55.803 0.025 0.000 0.847 199 Q CB -0.764 28.014 28.738 0.067 0.000 0.903 199 Q HN 0.544 nan 8.270 nan 0.000 0.433 200 T N 1.773 116.333 114.554 0.010 0.000 2.770 200 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 200 T C -0.932 173.751 174.700 -0.028 0.000 1.039 200 T CA 1.078 63.170 62.100 -0.014 0.000 1.142 200 T CB -0.984 67.867 68.868 -0.029 0.000 0.868 200 T HN 0.314 nan 8.240 nan 0.000 0.435 201 P HA 0.023 nan 4.420 nan 0.000 0.220 201 P C 1.536 178.777 177.300 -0.099 0.000 1.148 201 P CA 0.428 63.491 63.100 -0.062 0.000 0.803 201 P CB -0.227 31.419 31.700 -0.090 0.000 0.782 202 V N -0.260 119.591 119.914 -0.106 0.000 2.343 202 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 202 V C 2.337 178.337 176.094 -0.157 0.000 1.051 202 V CA 1.615 63.824 62.300 -0.153 0.000 1.036 202 V CB -1.213 30.541 31.823 -0.115 0.000 0.654 202 V HN 0.080 nan 8.190 nan 0.000 0.451 203 L N 1.438 122.608 121.223 -0.088 0.000 2.093 203 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 203 L C 2.337 179.138 176.870 -0.114 0.000 1.085 203 L CA 2.341 57.129 54.840 -0.088 0.000 0.755 203 L CB -1.311 40.717 42.059 -0.051 0.000 0.904 203 L HN 0.256 nan 8.230 nan 0.000 0.435 204 G N -0.078 108.704 108.800 -0.030 0.000 2.469 204 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 204 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 204 G C 1.608 176.431 174.900 -0.129 0.000 1.150 204 G CA 1.275 46.395 45.100 0.035 0.000 0.763 204 G HN 0.457 nan 8.290 nan 0.000 0.561 205 L N 0.083 121.202 121.223 -0.173 0.000 2.013 205 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 205 L C 3.037 179.878 176.870 -0.048 0.000 1.073 205 L CA 1.003 55.717 54.840 -0.210 0.000 0.753 205 L CB -0.600 41.155 42.059 -0.506 0.000 0.890 205 L HN 0.141 nan 8.230 nan 0.000 0.432 206 V N -1.115 118.716 119.914 -0.139 0.000 2.358 206 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 206 V C 2.387 178.445 176.094 -0.059 0.000 1.047 206 V CA 1.343 63.654 62.300 0.017 0.000 1.035 206 V CB -0.274 31.513 31.823 -0.060 0.000 0.658 206 V HN 0.196 nan 8.190 nan 0.000 0.452 207 V N -0.029 119.728 119.914 -0.263 0.000 2.295 207 V HA -0.268 3.851 4.120 -0.000 0.000 0.246 207 V C 2.605 178.449 176.094 -0.416 0.000 1.049 207 V CA 2.143 64.172 62.300 -0.452 0.000 1.024 207 V CB -0.806 30.442 31.823 -0.959 0.000 0.648 207 V HN 0.433 nan 8.190 nan 0.000 0.447 208 R N -0.437 119.823 120.500 -0.400 0.000 2.096 208 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 208 R C 2.517 178.773 176.300 -0.074 0.000 1.127 208 R CA 1.561 57.541 56.100 -0.200 0.000 0.968 208 R CB -0.299 29.956 30.300 -0.076 0.000 0.861 208 R HN 0.351 nan 8.270 nan 0.000 0.440 209 R N 1.388 121.878 120.500 -0.016 0.000 2.070 209 R HA -0.126 4.214 4.340 -0.000 0.000 0.233 209 R C 1.402 177.625 176.300 -0.129 0.000 1.137 209 R CA 2.064 58.128 56.100 -0.061 0.000 0.945 209 R CB -0.612 29.655 30.300 -0.055 0.000 0.845 209 R HN 0.096 nan 8.270 nan 0.000 0.430 210 D N 0.382 120.737 120.400 -0.075 0.000 2.149 210 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 210 D C 1.549 177.824 176.300 -0.042 0.000 0.990 210 D CA 1.492 55.466 54.000 -0.043 0.000 0.839 210 D CB -0.083 40.730 40.800 0.021 0.000 0.948 210 D HN 0.525 nan 8.370 nan 0.000 0.460 211 E N 0.132 120.301 120.200 -0.051 0.000 2.230 211 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 211 E C 1.844 178.443 176.600 -0.002 0.000 0.987 211 E CA 0.061 56.454 56.400 -0.013 0.000 0.841 211 E CB 0.149 29.847 29.700 -0.003 0.000 0.783 211 E HN 0.328 nan 8.360 nan 0.000 0.481 212 E N 0.870 121.055 120.200 -0.024 0.000 2.106 212 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 212 E C 1.989 178.592 176.600 0.005 0.000 0.984 212 E CA 0.663 57.063 56.400 0.001 0.000 0.806 212 E CB 0.103 29.791 29.700 -0.021 0.000 0.750 212 E HN 0.236 nan 8.360 nan 0.000 0.458 213 I N 0.619 121.136 120.570 -0.090 0.000 2.133 213 I HA -0.252 3.918 4.170 -0.000 0.000 0.238 213 I C 2.610 178.735 176.117 0.013 0.000 1.074 213 I CA 1.348 62.574 61.300 -0.124 0.000 1.342 213 I CB -0.343 37.448 38.000 -0.350 0.000 1.053 213 I HN 0.096 nan 8.210 nan 0.000 0.404 214 E N 1.686 121.900 120.200 0.023 0.000 2.097 214 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 214 E C 1.743 178.382 176.600 0.065 0.000 1.000 214 E CA 1.855 58.289 56.400 0.056 0.000 0.804 214 E CB -0.137 29.596 29.700 0.054 0.000 0.740 214 E HN 0.369 nan 8.360 nan 0.000 0.454 215 N N -0.325 118.413 118.700 0.063 0.000 2.463 215 N HA -0.045 4.695 4.740 -0.000 0.000 0.181 215 N C -0.230 175.318 175.510 0.064 0.000 1.078 215 N CA 0.126 53.207 53.050 0.051 0.000 0.902 215 N CB -0.326 38.182 38.487 0.036 0.000 0.970 215 N HN 0.180 nan 8.380 nan 0.000 0.451 216 F N 1.871 121.800 119.950 -0.035 0.000 2.608 216 F HA 0.014 4.541 4.527 -0.000 0.000 0.380 216 F C 0.078 175.864 175.800 -0.023 0.000 1.083 216 F CA -0.139 57.839 58.000 -0.037 0.000 1.266 216 F CB 0.560 39.527 39.000 -0.056 0.000 1.076 216 F HN -0.316 nan 8.300 nan 0.000 0.574 217 V N 7.393 126.765 119.914 -0.904 0.000 2.334 217 V HA 0.505 4.625 4.120 -0.000 0.000 0.281 217 V C 0.280 175.758 176.094 -1.027 0.000 1.016 217 V CA -0.858 61.034 62.300 -0.680 0.000 0.832 217 V CB 0.671 32.286 31.823 -0.347 0.000 0.999 217 V HN 1.048 nan 8.190 nan 0.000 0.439 218 A N 5.753 128.233 122.820 -0.566 0.000 2.520 218 A HA 0.469 4.789 4.320 -0.000 0.000 0.245 218 A C 0.312 177.817 177.584 -0.132 0.000 1.072 218 A CA 0.047 51.981 52.037 -0.172 0.000 0.761 218 A CB 0.001 19.077 19.000 0.126 0.000 1.004 218 A HN 0.968 nan 8.150 nan 0.000 0.499 219 K N 2.036 122.407 120.400 -0.048 0.000 2.375 219 K HA 0.603 4.923 4.320 -0.000 0.000 0.249 219 K C -1.509 175.128 176.600 0.061 0.000 0.942 219 K CA -0.923 55.362 56.287 -0.002 0.000 0.806 219 K CB 1.535 34.024 32.500 -0.017 0.000 1.227 219 K HN 0.373 nan 8.250 nan 0.000 0.430 220 D N 1.972 122.376 120.400 0.008 0.000 2.350 220 D HA 0.305 4.945 4.640 -0.000 0.000 0.249 220 D C -0.612 175.604 176.300 -0.141 0.000 1.119 220 D CA 0.184 54.097 54.000 -0.144 0.000 0.886 220 D CB 0.398 41.115 40.800 -0.139 0.000 1.195 220 D HN 0.511 nan 8.370 nan 0.000 0.437 221 F N -0.200 119.392 119.950 -0.597 0.000 2.715 221 F HA 0.761 5.288 4.527 -0.000 0.000 0.318 221 F C -1.679 173.587 175.800 -0.889 0.000 1.141 221 F CA -1.243 56.406 58.000 -0.584 0.000 0.950 221 F CB 1.142 40.049 39.000 -0.155 0.000 1.374 221 F HN 0.101 nan 8.300 nan 0.000 0.477 222 F N -0.144 119.934 119.950 0.213 0.000 2.613 222 F HA 0.612 5.139 4.527 -0.000 0.000 0.310 222 F C -0.854 175.066 175.800 0.200 0.000 1.085 222 F CA -0.798 57.260 58.000 0.096 0.000 0.945 222 F CB 2.462 41.529 39.000 0.110 0.000 1.298 222 F HN 0.688 nan 8.300 nan 0.000 0.455 223 E N 0.057 120.452 120.200 0.325 0.000 2.416 223 E HA 0.748 5.098 4.350 -0.000 0.000 0.273 223 E C -1.942 174.841 176.600 0.305 0.000 0.935 223 E CA -1.218 55.369 56.400 0.312 0.000 0.784 223 E CB 2.809 32.651 29.700 0.237 0.000 1.301 223 E HN 0.264 nan 8.360 nan 0.000 0.454 224 V N 1.430 121.561 119.914 0.363 0.000 2.347 224 V HA 0.295 4.415 4.120 -0.000 0.000 0.280 224 V C -0.221 176.083 176.094 0.351 0.000 1.021 224 V CA -0.689 61.811 62.300 0.333 0.000 0.847 224 V CB 1.237 33.257 31.823 0.329 0.000 0.990 224 V HN 0.543 nan 8.190 nan 0.000 0.444 225 K N 3.532 124.086 120.400 0.257 0.000 2.240 225 K HA 0.720 5.040 4.320 -0.000 0.000 0.271 225 K C -0.227 176.470 176.600 0.162 0.000 1.018 225 K CA -0.390 56.011 56.287 0.189 0.000 0.874 225 K CB 1.415 33.971 32.500 0.093 0.000 1.098 225 K HN 0.805 nan 8.250 nan 0.000 0.458 226 A N 4.863 127.748 122.820 0.108 0.000 2.260 226 A HA 0.261 4.581 4.320 -0.000 0.000 0.308 226 A C -0.771 176.702 177.584 -0.186 0.000 1.254 226 A CA -0.598 51.382 52.037 -0.096 0.000 0.874 226 A CB 0.250 18.980 19.000 -0.450 0.000 1.153 226 A HN 0.775 nan 8.150 nan 0.000 0.527 227 H N 2.909 121.886 119.070 -0.156 0.000 2.782 227 H HA 0.288 4.844 4.556 -0.000 0.000 0.285 227 H C -0.650 174.514 175.328 -0.275 0.000 1.093 227 H CA 0.362 56.303 56.048 -0.178 0.000 1.410 227 H CB 0.676 30.371 29.762 -0.112 0.000 1.439 227 H HN 0.487 nan 8.280 nan 0.000 0.469 228 I N 2.878 123.214 120.570 -0.390 0.000 2.577 228 I HA 0.177 4.347 4.170 -0.000 0.000 0.305 228 I C -0.065 175.843 176.117 -0.348 0.000 0.986 228 I CA -0.626 60.375 61.300 -0.498 0.000 1.189 228 I CB 2.046 39.487 38.000 -0.932 0.000 1.355 228 I HN 0.238 nan 8.210 nan 0.000 0.476 229 V N 4.330 124.127 119.914 -0.196 0.000 2.577 229 V HA 0.479 4.599 4.120 -0.000 0.000 0.303 229 V C -0.283 175.808 176.094 -0.005 0.000 1.042 229 V CA -0.197 62.062 62.300 -0.068 0.000 0.872 229 V CB 2.082 33.880 31.823 -0.041 0.000 0.998 229 V HN 0.840 nan 8.190 nan 0.000 0.423 230 T N 9.010 123.607 114.554 0.071 0.000 2.899 230 T HA 0.279 4.629 4.350 -0.000 0.000 0.295 230 T C -1.808 172.916 174.700 0.041 0.000 1.033 230 T CA -0.718 61.435 62.100 0.088 0.000 1.084 230 T CB 1.430 70.373 68.868 0.127 0.000 0.979 230 T HN 0.639 nan 8.240 nan 0.000 0.532 231 P HA -0.060 nan 4.420 nan 0.000 0.218 231 P C 0.812 178.120 177.300 0.013 0.000 1.146 231 P CA 0.591 63.699 63.100 0.013 0.000 0.813 231 P CB 0.036 31.741 31.700 0.008 0.000 0.778 232 A N -0.872 121.960 122.820 0.019 0.000 2.276 232 A HA 0.048 4.368 4.320 -0.000 0.000 0.212 232 A C 0.608 178.206 177.584 0.022 0.000 1.230 232 A CA 0.593 52.640 52.037 0.016 0.000 0.844 232 A CB -1.487 17.520 19.000 0.012 0.000 0.860 232 A HN 0.153 nan 8.150 nan 0.000 0.486 233 D N -0.521 119.894 120.400 0.025 0.000 2.870 233 D HA -0.154 4.486 4.640 -0.000 0.000 0.228 233 D C 0.095 176.418 176.300 0.038 0.000 1.147 233 D CA 1.369 55.383 54.000 0.024 0.000 0.757 233 D CB -0.918 39.890 40.800 0.013 0.000 1.091 233 D HN 0.842 nan 8.370 nan 0.000 0.429 234 E N -0.369 119.869 120.200 0.063 0.000 2.212 234 E HA 0.693 5.043 4.350 -0.000 0.000 0.270 234 E C -0.079 176.609 176.600 0.146 0.000 0.956 234 E CA -0.933 55.522 56.400 0.091 0.000 0.825 234 E CB 1.847 31.602 29.700 0.091 0.000 1.167 234 E HN 0.117 nan 8.360 nan 0.000 0.400 235 R N 1.077 121.674 120.500 0.162 0.000 2.803 235 R HA 0.652 4.992 4.340 -0.000 0.000 0.276 235 R C -1.032 175.445 176.300 0.295 0.000 0.978 235 R CA -0.688 55.502 56.100 0.150 0.000 0.939 235 R CB 1.458 31.802 30.300 0.073 0.000 1.179 235 R HN 0.665 nan 8.270 nan 0.000 0.472 236 F N -2.239 117.727 119.950 0.027 0.000 2.773 236 F HA 0.503 5.030 4.527 -0.000 0.000 0.314 236 F C -1.043 174.742 175.800 -0.025 0.000 1.160 236 F CA -1.128 56.882 58.000 0.017 0.000 0.920 236 F CB 1.382 40.405 39.000 0.038 0.000 1.323 236 F HN 0.424 nan 8.300 nan 0.000 0.457 237 T N 0.146 114.734 114.554 0.057 0.000 2.859 237 T HA 0.890 5.240 4.350 -0.000 0.000 0.281 237 T C -0.568 174.207 174.700 0.125 0.000 1.005 237 T CA -0.281 61.754 62.100 -0.109 0.000 1.025 237 T CB 1.506 70.259 68.868 -0.191 0.000 0.977 237 T HN 1.335 nan 8.240 nan 0.000 0.458 238 A N 3.061 125.934 122.820 0.088 0.000 2.380 238 A HA 0.779 5.099 4.320 -0.000 0.000 0.315 238 A C -0.586 177.201 177.584 0.338 0.000 1.101 238 A CA -1.034 51.163 52.037 0.266 0.000 0.771 238 A CB 0.929 20.127 19.000 0.330 0.000 1.287 238 A HN 0.805 nan 8.150 nan 0.000 0.436 239 I N 0.979 121.746 120.570 0.329 0.000 2.377 239 I HA 0.183 4.353 4.170 -0.000 0.000 0.293 239 I C -0.393 175.843 176.117 0.199 0.000 0.987 239 I CA -0.558 60.911 61.300 0.282 0.000 1.185 239 I CB 1.330 39.423 38.000 0.156 0.000 1.341 239 I HN 0.899 nan 8.210 nan 0.000 0.455 240 W N 6.965 128.152 121.300 -0.189 0.000 2.322 240 W HA 0.059 4.719 4.660 -0.000 0.000 0.328 240 W C -0.037 176.263 176.519 -0.364 0.000 1.395 240 W CA -0.069 56.812 57.345 -0.774 0.000 1.267 240 W CB 0.374 29.489 29.460 -0.576 0.000 1.259 240 W HN 0.405 nan 8.180 nan 0.000 0.560 241 Q N 8.117 127.547 119.800 -0.616 0.000 2.509 241 Q HA 0.247 4.587 4.340 -0.000 0.000 0.236 241 Q C -2.028 173.464 176.000 -0.847 0.000 1.073 241 Q CA -1.813 53.643 55.803 -0.578 0.000 0.867 241 Q CB 0.708 29.289 28.738 -0.262 0.000 1.181 241 Q HN 0.274 nan 8.270 nan 0.000 0.526 242 P HA -0.066 nan 4.420 nan 0.000 0.268 242 P C 0.089 177.144 177.300 -0.409 0.000 1.208 242 P CA 0.341 62.773 63.100 -1.114 0.000 0.777 242 P CB 0.679 31.704 31.700 -1.124 0.000 0.875 243 S N 0.210 115.816 115.700 -0.157 0.000 2.713 243 S HA 0.180 4.650 4.470 -0.000 0.000 0.277 243 S C 1.286 175.860 174.600 -0.044 0.000 1.168 243 S CA -0.573 57.590 58.200 -0.062 0.000 0.994 243 S CB 0.594 63.808 63.200 0.023 0.000 1.054 243 S HN 0.539 nan 8.310 nan 0.000 0.555 244 E N 0.563 120.748 120.200 -0.024 0.000 2.136 244 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 244 E C 2.141 178.741 176.600 0.000 0.000 1.019 244 E CA 1.522 57.911 56.400 -0.019 0.000 0.819 244 E CB -0.608 29.086 29.700 -0.010 0.000 0.739 244 E HN 0.799 nan 8.360 nan 0.000 0.458 245 A N 0.269 123.106 122.820 0.029 0.000 2.076 245 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 245 A C 2.338 179.975 177.584 0.089 0.000 1.160 245 A CA 1.396 53.468 52.037 0.059 0.000 0.653 245 A CB -0.906 18.145 19.000 0.086 0.000 0.801 245 A HN 0.542 nan 8.150 nan 0.000 0.455 246 C N -0.330 119.018 119.300 0.081 0.000 2.539 246 C HA 0.100 4.559 4.460 -0.000 0.000 0.268 246 C C 2.218 177.263 174.990 0.091 0.000 1.395 246 C CA 0.530 59.627 59.018 0.132 0.000 1.757 246 C CB -1.578 26.193 27.740 0.052 0.000 1.851 246 C HN 0.700 nan 8.230 nan 0.000 0.545 247 E N 1.428 121.636 120.200 0.012 0.000 2.114 247 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 247 E C -0.691 175.874 176.600 -0.059 0.000 1.008 247 E CA 1.881 58.264 56.400 -0.027 0.000 0.810 247 E CB -0.834 28.840 29.700 -0.043 0.000 0.739 247 E HN 0.565 nan 8.360 nan 0.000 0.456 248 P HA -0.156 nan 4.420 nan 0.000 0.223 248 P C 0.238 177.289 177.300 -0.415 0.000 1.144 248 P CA 1.226 64.144 63.100 -0.303 0.000 0.783 248 P CB -0.007 31.426 31.700 -0.445 0.000 0.771 249 Y N -1.423 118.883 120.300 0.010 0.000 2.458 249 Y HA 0.244 4.794 4.550 -0.000 0.000 0.256 249 Y C 1.046 176.984 175.900 0.063 0.000 1.159 249 Y CA -0.085 58.041 58.100 0.043 0.000 1.261 249 Y CB -0.098 38.408 38.460 0.077 0.000 1.119 249 Y HN 0.003 nan 8.280 nan 0.000 0.524 250 Q N 0.655 120.516 119.800 0.101 0.000 2.301 250 Q HA 0.266 4.606 4.340 -0.000 0.000 0.267 250 Q C -0.665 175.334 176.000 -0.002 0.000 1.035 250 Q CA -1.082 54.749 55.803 0.047 0.000 0.856 250 Q CB 1.616 30.351 28.738 -0.005 0.000 1.337 250 Q HN 0.199 nan 8.270 nan 0.000 0.450 251 D N -0.247 120.141 120.400 -0.021 0.000 2.478 251 D HA 0.001 4.641 4.640 -0.000 0.000 0.269 251 D C 0.414 176.675 176.300 -0.064 0.000 1.232 251 D CA -0.267 53.706 54.000 -0.044 0.000 1.059 251 D CB 0.548 41.316 40.800 -0.054 0.000 1.104 251 D HN 0.511 nan 8.370 nan 0.000 0.566 252 E N -0.941 119.220 120.200 -0.065 0.000 2.118 252 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 252 E C 1.355 177.907 176.600 -0.080 0.000 0.992 252 E CA 1.168 57.528 56.400 -0.065 0.000 0.804 252 E CB 0.009 29.675 29.700 -0.056 0.000 0.741 252 E HN 0.418 nan 8.360 nan 0.000 0.458 253 E N -0.832 119.308 120.200 -0.100 0.000 2.478 253 E HA -0.008 4.342 4.350 -0.000 0.000 0.198 253 E C 0.989 177.508 176.600 -0.134 0.000 1.046 253 E CA 0.687 57.014 56.400 -0.122 0.000 0.870 253 E CB 0.235 29.842 29.700 -0.155 0.000 0.818 253 E HN 0.393 nan 8.360 nan 0.000 0.527 254 G N 0.981 109.708 108.800 -0.122 0.000 2.136 254 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.242 254 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.242 254 G C 0.029 174.854 174.900 -0.126 0.000 0.989 254 G CA 0.143 45.175 45.100 -0.113 0.000 0.682 254 G HN 0.220 nan 8.290 nan 0.000 0.522 255 R N -0.792 119.601 120.500 -0.179 0.000 2.539 255 R HA 0.548 4.888 4.340 -0.000 0.000 0.275 255 R C 0.357 176.663 176.300 0.011 0.000 1.077 255 R CA -0.672 55.313 56.100 -0.192 0.000 1.097 255 R CB 0.781 30.706 30.300 -0.625 0.000 1.018 255 R HN 0.229 nan 8.270 nan 0.000 0.483 256 L N 3.196 124.526 121.223 0.178 0.000 2.281 256 L HA 0.120 4.460 4.340 -0.000 0.000 0.285 256 L C -0.030 177.105 176.870 0.441 0.000 1.074 256 L CA 0.266 55.279 54.840 0.289 0.000 0.817 256 L CB 0.893 43.150 42.059 0.329 0.000 1.168 256 L HN 0.600 nan 8.230 nan 0.000 0.434 257 L N 4.734 126.197 121.223 0.400 0.000 2.554 257 L HA 0.227 4.567 4.340 -0.000 0.000 0.225 257 L C 0.568 177.757 176.870 0.532 0.000 1.104 257 L CA 0.423 55.530 54.840 0.445 0.000 0.866 257 L CB -0.679 41.558 42.059 0.297 0.000 1.047 257 L HN 0.592 nan 8.230 nan 0.000 0.468 258 H N -0.151 119.094 119.070 0.292 0.000 2.638 258 H HA 0.193 4.749 4.556 -0.000 0.000 0.303 258 H C 0.901 176.120 175.328 -0.183 0.000 1.034 258 H CA -0.245 55.845 56.048 0.069 0.000 1.225 258 H CB 1.111 30.867 29.762 -0.011 0.000 1.394 258 H HN 0.022 nan 8.280 nan 0.000 0.477 259 R N 4.210 124.244 120.500 -0.776 0.000 2.073 259 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 259 R C -0.970 174.971 176.300 -0.599 0.000 1.134 259 R CA 1.172 56.638 56.100 -1.057 0.000 0.952 259 R CB -0.650 28.925 30.300 -1.208 0.000 0.850 259 R HN 0.458 nan 8.270 nan 0.000 0.433 260 P HA -0.183 nan 4.420 nan 0.000 0.217 260 P C 1.139 178.333 177.300 -0.177 0.000 1.148 260 P CA 0.915 63.800 63.100 -0.359 0.000 0.828 260 P CB -0.065 31.423 31.700 -0.354 0.000 0.783 261 L N -0.386 120.764 121.223 -0.122 0.000 2.083 261 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 261 L C 2.169 179.039 176.870 0.001 0.000 1.083 261 L CA 2.045 56.888 54.840 0.004 0.000 0.752 261 L CB -1.544 40.548 42.059 0.056 0.000 0.899 261 L HN -0.109 nan 8.230 nan 0.000 0.433 262 A N -1.002 121.798 122.820 -0.033 0.000 1.897 262 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 262 A C 2.183 179.720 177.584 -0.078 0.000 1.181 262 A CA 1.492 53.518 52.037 -0.019 0.000 0.620 262 A CB -0.564 18.450 19.000 0.022 0.000 0.821 262 A HN 0.546 nan 8.150 nan 0.000 0.443 263 E N -1.231 118.907 120.200 -0.103 0.000 2.085 263 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 263 E C 2.012 178.584 176.600 -0.046 0.000 0.994 263 E CA 1.254 57.607 56.400 -0.079 0.000 0.801 263 E CB -0.315 29.327 29.700 -0.096 0.000 0.743 263 E HN 0.822 nan 8.360 nan 0.000 0.453 264 H N 0.047 119.037 119.070 -0.133 0.000 2.321 264 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 264 H C 2.074 177.310 175.328 -0.154 0.000 1.087 264 H CA 1.453 57.427 56.048 -0.124 0.000 1.319 264 H CB 0.166 29.862 29.762 -0.111 0.000 1.379 264 H HN 0.035 nan 8.280 nan 0.000 0.501 265 V N 0.700 120.425 119.914 -0.314 0.000 2.407 265 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 265 V C 2.844 178.751 176.094 -0.311 0.000 1.055 265 V CA 1.226 63.246 62.300 -0.467 0.000 1.049 265 V CB -0.412 30.928 31.823 -0.805 0.000 0.662 265 V HN 0.261 nan 8.190 nan 0.000 0.455 266 V N 0.696 120.491 119.914 -0.199 0.000 2.332 266 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 266 V C 2.321 178.334 176.094 -0.136 0.000 1.055 266 V CA 2.164 64.393 62.300 -0.118 0.000 1.038 266 V CB -0.792 30.994 31.823 -0.061 0.000 0.651 266 V HN 0.591 nan 8.190 nan 0.000 0.450 267 N N 0.178 118.783 118.700 -0.157 0.000 2.223 267 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 267 N C 1.902 177.306 175.510 -0.176 0.000 1.016 267 N CA 1.147 54.111 53.050 -0.143 0.000 0.863 267 N CB -0.330 38.091 38.487 -0.110 0.000 0.983 267 N HN 0.488 nan 8.380 nan 0.000 0.429 268 R N 0.474 120.819 120.500 -0.258 0.000 2.236 268 R HA 0.114 4.454 4.340 -0.000 0.000 0.208 268 R C 1.960 178.163 176.300 -0.163 0.000 1.036 268 R CA 0.591 56.553 56.100 -0.229 0.000 1.001 268 R CB 0.011 30.126 30.300 -0.308 0.000 0.896 268 R HN 0.414 nan 8.270 nan 0.000 0.464 269 I N -3.672 116.800 120.570 -0.164 0.000 3.939 269 I HA 0.201 4.371 4.170 -0.000 0.000 0.313 269 I C 0.244 176.271 176.117 -0.149 0.000 1.274 269 I CA -0.192 61.007 61.300 -0.169 0.000 1.301 269 I CB 0.388 38.252 38.000 -0.227 0.000 1.105 269 I HN -0.258 nan 8.210 nan 0.000 0.427 270 S N 2.374 118.002 115.700 -0.121 0.000 2.544 270 S HA 0.326 4.796 4.470 -0.000 0.000 0.290 270 S C 1.284 175.829 174.600 -0.091 0.000 1.276 270 S CA 0.886 59.026 58.200 -0.100 0.000 1.075 270 S CB 0.352 63.501 63.200 -0.085 0.000 0.849 270 S HN 0.846 nan 8.310 nan 0.000 0.494 271 G N 2.791 111.539 108.800 -0.088 0.000 2.168 271 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.263 271 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.263 271 G C 0.006 174.862 174.900 -0.073 0.000 0.977 271 G CA -0.083 44.973 45.100 -0.074 0.000 0.659 271 G HN 0.600 nan 8.290 nan 0.000 0.533 272 Q N 0.239 119.985 119.800 -0.090 0.000 2.221 272 Q HA 0.470 4.810 4.340 -0.000 0.000 0.242 272 Q C -2.445 173.505 176.000 -0.083 0.000 0.940 272 Q CA -1.951 53.802 55.803 -0.083 0.000 0.896 272 Q CB 0.957 29.638 28.738 -0.095 0.000 1.226 272 Q HN 0.218 nan 8.270 nan 0.000 0.463 273 P HA 0.168 nan 4.420 nan 0.000 0.276 273 P C -1.333 175.933 177.300 -0.056 0.000 1.230 273 P CA -0.106 62.965 63.100 -0.049 0.000 0.776 273 P CB 0.628 32.312 31.700 -0.027 0.000 0.888 274 A N 4.020 126.806 122.820 -0.057 0.000 2.271 274 A HA 0.572 4.892 4.320 -0.000 0.000 0.317 274 A C -0.470 177.122 177.584 0.012 0.000 1.245 274 A CA -0.472 51.539 52.037 -0.044 0.000 0.857 274 A CB -0.201 18.746 19.000 -0.087 0.000 1.175 274 A HN 0.397 nan 8.150 nan 0.000 0.512 275 I N 2.264 122.856 120.570 0.037 0.000 2.392 275 I HA 0.254 4.424 4.170 -0.000 0.000 0.295 275 I C 0.115 176.284 176.117 0.086 0.000 0.985 275 I CA -0.240 61.093 61.300 0.055 0.000 1.221 275 I CB 1.982 40.012 38.000 0.049 0.000 1.366 275 I HN 0.357 nan 8.210 nan 0.000 0.467 276 V N 6.438 126.406 119.914 0.090 0.000 2.439 276 V HA 0.066 4.186 4.120 -0.000 0.000 0.271 276 V C 1.130 177.285 176.094 0.102 0.000 1.040 276 V CA 0.193 62.560 62.300 0.113 0.000 1.002 276 V CB 0.469 32.361 31.823 0.115 0.000 1.000 276 V HN 0.938 nan 8.190 nan 0.000 0.477 277 T N 3.228 117.850 114.554 0.113 0.000 2.770 277 T HA 0.001 4.351 4.350 -0.000 0.000 0.263 277 T C 0.677 175.431 174.700 0.091 0.000 1.039 277 T CA 1.433 63.592 62.100 0.097 0.000 1.142 277 T CB 0.076 69.006 68.868 0.104 0.000 0.868 277 T HN 0.841 nan 8.240 nan 0.000 0.435 278 S N -0.577 115.188 115.700 0.107 0.000 2.543 278 S HA 0.548 5.018 4.470 -0.000 0.000 0.274 278 S C -1.760 172.930 174.600 0.151 0.000 1.149 278 S CA -1.153 57.113 58.200 0.109 0.000 0.866 278 S CB 1.458 64.700 63.200 0.070 0.000 1.111 278 S HN 0.301 nan 8.310 nan 0.000 0.457 279 Y N 1.783 122.096 120.300 0.021 0.000 2.376 279 Y HA 0.660 5.210 4.550 -0.000 0.000 0.340 279 Y C -0.901 175.002 175.900 0.006 0.000 0.965 279 Y CA -0.513 57.592 58.100 0.008 0.000 1.078 279 Y CB 1.640 40.100 38.460 0.000 0.000 1.193 279 Y HN 0.915 nan 8.280 nan 0.000 0.452 280 N N 5.128 123.455 118.700 -0.621 0.000 2.480 280 N HA 0.119 4.859 4.740 -0.000 0.000 0.289 280 N C -2.290 172.878 175.510 -0.572 0.000 1.073 280 N CA -0.563 52.225 53.050 -0.436 0.000 0.885 280 N CB 1.589 39.964 38.487 -0.187 0.000 1.421 280 N HN 0.733 nan 8.380 nan 0.000 0.503 281 D N 2.318 122.486 120.400 -0.386 0.000 2.440 281 D HA 0.205 4.845 4.640 -0.000 0.000 0.239 281 D C -0.911 175.358 176.300 -0.051 0.000 1.084 281 D CA -0.494 53.394 54.000 -0.186 0.000 0.843 281 D CB 0.773 41.549 40.800 -0.040 0.000 1.097 281 D HN 0.321 nan 8.370 nan 0.000 0.531 282 K N 2.454 122.835 120.400 -0.032 0.000 2.435 282 K HA 0.545 4.865 4.320 -0.000 0.000 0.251 282 K C -0.751 175.869 176.600 0.033 0.000 0.954 282 K CA -1.004 55.284 56.287 0.002 0.000 0.820 282 K CB 1.744 34.238 32.500 -0.010 0.000 1.292 282 K HN 0.245 nan 8.250 nan 0.000 0.436 283 R N 1.596 122.121 120.500 0.042 0.000 2.347 283 R HA 0.139 4.479 4.340 -0.000 0.000 0.304 283 R C -0.573 175.770 176.300 0.073 0.000 1.072 283 R CA -0.002 56.135 56.100 0.062 0.000 0.980 283 R CB 0.631 30.961 30.300 0.050 0.000 0.986 283 R HN 0.590 nan 8.270 nan 0.000 0.448 284 E N 1.448 121.719 120.200 0.117 0.000 2.182 284 E HA 0.171 4.521 4.350 -0.000 0.000 0.258 284 E C -0.896 175.813 176.600 0.181 0.000 0.879 284 E CA -0.388 56.084 56.400 0.122 0.000 0.754 284 E CB 2.070 31.831 29.700 0.102 0.000 1.162 284 E HN 0.408 nan 8.360 nan 0.000 0.419 285 S N 2.355 118.135 115.700 0.133 0.000 2.565 285 S HA 0.096 4.566 4.470 -0.000 0.000 0.276 285 S C -0.150 174.561 174.600 0.186 0.000 1.326 285 S CA -0.174 58.116 58.200 0.151 0.000 1.045 285 S CB 0.684 63.944 63.200 0.101 0.000 0.918 285 S HN 0.473 nan 8.310 nan 0.000 0.505 286 E N 2.194 122.550 120.200 0.259 0.000 2.279 286 E HA 0.259 4.609 4.350 -0.000 0.000 0.252 286 E C -0.959 175.842 176.600 0.335 0.000 0.894 286 E CA -0.358 56.224 56.400 0.304 0.000 0.785 286 E CB 0.968 30.946 29.700 0.464 0.000 1.237 286 E HN 0.535 nan 8.360 nan 0.000 0.418 287 S N 1.697 117.482 115.700 0.142 0.000 2.573 287 S HA 0.223 4.693 4.470 -0.000 0.000 0.277 287 S C 0.280 174.717 174.600 -0.272 0.000 1.346 287 S CA -0.142 58.058 58.200 -0.001 0.000 1.034 287 S CB 1.050 64.200 63.200 -0.082 0.000 0.879 287 S HN 0.648 nan 8.310 nan 0.000 0.528 288 A N 3.878 126.360 122.820 -0.564 0.000 2.561 288 A HA 0.324 4.644 4.320 -0.000 0.000 0.234 288 A C -1.864 175.186 177.584 -0.890 0.000 1.055 288 A CA -0.838 50.459 52.037 -1.234 0.000 0.756 288 A CB -0.636 17.950 19.000 -0.691 0.000 0.986 288 A HN 0.550 nan 8.150 nan 0.000 0.505 289 P HA 0.281 nan 4.420 nan 0.000 0.272 289 P C -0.403 176.557 177.300 -0.568 0.000 1.230 289 P CA -0.175 62.548 63.100 -0.628 0.000 0.788 289 P CB 0.481 31.845 31.700 -0.561 0.000 0.949 290 L N 2.322 123.256 121.223 -0.481 0.000 2.475 290 L HA 0.296 4.636 4.340 -0.000 0.000 0.253 290 L C -1.833 174.727 176.870 -0.517 0.000 1.198 290 L CA -2.020 52.507 54.840 -0.521 0.000 0.814 290 L CB -0.614 41.099 42.059 -0.576 0.000 1.134 290 L HN 0.254 nan 8.230 nan 0.000 0.478 291 P HA -0.074 nan 4.420 nan 0.000 0.267 291 P C -0.730 176.410 177.300 -0.267 0.000 1.201 291 P CA 0.316 63.186 63.100 -0.384 0.000 0.775 291 P CB 0.206 31.731 31.700 -0.291 0.000 0.854 292 F N 0.426 120.317 119.950 -0.100 0.000 2.459 292 F HA 0.082 4.609 4.527 -0.000 0.000 0.346 292 F C 1.608 177.367 175.800 -0.069 0.000 1.128 292 F CA 0.003 57.954 58.000 -0.081 0.000 1.268 292 F CB 0.507 39.475 39.000 -0.053 0.000 1.161 292 F HN 0.296 nan 8.300 nan 0.000 0.583 293 S N 3.031 118.840 115.700 0.182 0.000 2.713 293 S HA 0.255 4.725 4.470 -0.000 0.000 0.283 293 S C 0.627 175.235 174.600 0.014 0.000 1.161 293 S CA -0.968 57.274 58.200 0.071 0.000 0.999 293 S CB 1.497 64.726 63.200 0.049 0.000 1.039 293 S HN 0.670 nan 8.310 nan 0.000 0.548 294 L N 1.619 122.811 121.223 -0.051 0.000 2.079 294 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 294 L C 2.570 179.375 176.870 -0.108 0.000 1.081 294 L CA 2.597 57.373 54.840 -0.107 0.000 0.752 294 L CB -1.226 40.751 42.059 -0.138 0.000 0.896 294 L HN 0.980 nan 8.230 nan 0.000 0.433 295 S N -0.769 114.892 115.700 -0.065 0.000 2.371 295 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 295 S C 2.160 176.719 174.600 -0.067 0.000 1.029 295 S CA 0.665 58.830 58.200 -0.057 0.000 0.978 295 S CB -0.948 62.237 63.200 -0.025 0.000 0.833 295 S HN 0.489 nan 8.310 nan 0.000 0.466 296 A N 1.898 124.702 122.820 -0.027 0.000 1.940 296 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 296 A C 2.262 179.687 177.584 -0.265 0.000 1.176 296 A CA 1.687 53.733 52.037 0.014 0.000 0.631 296 A CB -0.911 18.226 19.000 0.229 0.000 0.814 296 A HN 0.595 nan 8.150 nan 0.000 0.446 297 L N -0.377 120.520 121.223 -0.544 0.000 2.056 297 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 297 L C 2.387 178.974 176.870 -0.471 0.000 1.078 297 L CA 2.282 56.522 54.840 -1.001 0.000 0.749 297 L CB -0.711 40.898 42.059 -0.749 0.000 0.901 297 L HN 0.489 nan 8.230 nan 0.000 0.433 298 Q N -0.409 119.234 119.800 -0.262 0.000 2.084 298 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 298 Q C 2.257 178.188 176.000 -0.115 0.000 0.978 298 Q CA 2.237 57.951 55.803 -0.150 0.000 0.844 298 Q CB -0.255 28.421 28.738 -0.102 0.000 0.898 298 Q HN 0.587 nan 8.270 nan 0.000 0.426 299 I N 0.314 120.819 120.570 -0.107 0.000 2.179 299 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 299 I C 2.400 178.479 176.117 -0.064 0.000 1.088 299 I CA 1.146 62.413 61.300 -0.055 0.000 1.357 299 I CB -0.130 37.860 38.000 -0.017 0.000 1.051 299 I HN 0.167 nan 8.210 nan 0.000 0.409 300 E N 1.287 121.422 120.200 -0.109 0.000 2.051 300 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 300 E C 2.125 178.667 176.600 -0.097 0.000 0.991 300 E CA 1.672 58.025 56.400 -0.079 0.000 0.799 300 E CB -0.247 29.429 29.700 -0.040 0.000 0.748 300 E HN 0.406 nan 8.360 nan 0.000 0.449 301 A N 0.513 123.277 122.820 -0.093 0.000 1.972 301 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 301 A C 2.359 179.965 177.584 0.035 0.000 1.169 301 A CA 1.958 54.024 52.037 0.048 0.000 0.635 301 A CB -0.803 18.242 19.000 0.075 0.000 0.810 301 A HN 0.366 nan 8.150 nan 0.000 0.446 302 A N -0.137 122.670 122.820 -0.021 0.000 1.897 302 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 302 A C 2.081 179.633 177.584 -0.053 0.000 1.181 302 A CA 1.579 53.605 52.037 -0.020 0.000 0.620 302 A CB -0.388 18.600 19.000 -0.020 0.000 0.821 302 A HN 0.511 nan 8.150 nan 0.000 0.443 303 K N -0.649 119.708 120.400 -0.072 0.000 2.020 303 K HA -0.163 4.157 4.320 -0.000 0.000 0.212 303 K C 2.333 178.832 176.600 -0.169 0.000 1.050 303 K CA 1.594 57.826 56.287 -0.092 0.000 0.929 303 K CB -0.202 32.257 32.500 -0.069 0.000 0.714 303 K HN 0.228 nan 8.250 nan 0.000 0.443 304 R N -0.365 119.948 120.500 -0.312 0.000 2.073 304 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 304 R C 1.926 177.839 176.300 -0.645 0.000 1.120 304 R CA 1.406 57.120 56.100 -0.643 0.000 0.967 304 R CB -0.090 29.507 30.300 -1.171 0.000 0.862 304 R HN 0.277 nan 8.270 nan 0.000 0.436 305 F N -1.704 118.240 119.950 -0.010 0.000 2.767 305 F HA 0.279 4.806 4.527 -0.000 0.000 0.323 305 F C 1.228 177.012 175.800 -0.025 0.000 1.091 305 F CA 0.194 58.186 58.000 -0.013 0.000 1.192 305 F CB 0.781 39.774 39.000 -0.011 0.000 1.056 305 F HN 0.163 nan 8.300 nan 0.000 0.571 306 G N 2.004 110.853 108.800 0.081 0.000 2.160 306 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 306 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 306 G C 0.026 174.947 174.900 0.034 0.000 1.008 306 G CA -0.172 44.946 45.100 0.030 0.000 0.724 306 G HN 0.264 nan 8.290 nan 0.000 0.514 307 L N 1.615 122.880 121.223 0.070 0.000 2.331 307 L HA 0.479 4.819 4.340 -0.000 0.000 0.278 307 L C 1.461 178.327 176.870 -0.006 0.000 1.106 307 L CA -0.027 54.833 54.840 0.033 0.000 0.824 307 L CB 1.254 43.349 42.059 0.060 0.000 1.142 307 L HN 0.445 nan 8.230 nan 0.000 0.443 308 S N 2.122 117.799 115.700 -0.037 0.000 2.614 308 S HA 0.316 4.786 4.470 -0.000 0.000 0.265 308 S C 1.124 175.694 174.600 -0.050 0.000 1.303 308 S CA -0.149 58.017 58.200 -0.057 0.000 1.000 308 S CB 1.576 64.717 63.200 -0.098 0.000 0.935 308 S HN 0.692 nan 8.310 nan 0.000 0.551 309 A N 0.693 123.483 122.820 -0.049 0.000 1.933 309 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 309 A C 2.257 179.810 177.584 -0.052 0.000 1.175 309 A CA 1.953 53.960 52.037 -0.049 0.000 0.628 309 A CB -1.285 17.691 19.000 -0.041 0.000 0.814 309 A HN 0.878 nan 8.150 nan 0.000 0.444 310 Q N 0.502 120.270 119.800 -0.052 0.000 2.084 310 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 310 Q C 1.826 177.797 176.000 -0.049 0.000 0.978 310 Q CA 2.105 57.879 55.803 -0.048 0.000 0.844 310 Q CB -0.416 28.293 28.738 -0.050 0.000 0.898 310 Q HN 0.651 nan 8.270 nan 0.000 0.426 311 N N -0.622 118.047 118.700 -0.052 0.000 2.036 311 N HA -0.159 4.581 4.740 -0.000 0.000 0.195 311 N C 1.705 177.191 175.510 -0.040 0.000 1.037 311 N CA 1.793 54.817 53.050 -0.044 0.000 0.855 311 N CB -0.618 37.844 38.487 -0.042 0.000 1.033 311 N HN 0.162 nan 8.380 nan 0.000 0.423 312 V N 1.188 121.075 119.914 -0.044 0.000 2.343 312 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 312 V C 2.337 178.396 176.094 -0.059 0.000 1.051 312 V CA 1.034 63.305 62.300 -0.050 0.000 1.036 312 V CB -0.524 31.261 31.823 -0.063 0.000 0.654 312 V HN 0.203 nan 8.190 nan 0.000 0.451 313 L N 0.409 121.593 121.223 -0.065 0.000 2.056 313 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 313 L C 2.070 178.905 176.870 -0.058 0.000 1.078 313 L CA 1.990 56.785 54.840 -0.076 0.000 0.749 313 L CB -0.965 41.050 42.059 -0.073 0.000 0.901 313 L HN 0.303 nan 8.230 nan 0.000 0.433 314 D N -0.344 120.031 120.400 -0.042 0.000 2.117 314 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 314 D C 2.333 178.621 176.300 -0.019 0.000 0.987 314 D CA 1.774 55.756 54.000 -0.029 0.000 0.829 314 D CB -0.121 40.663 40.800 -0.027 0.000 0.961 314 D HN 0.420 nan 8.370 nan 0.000 0.460 315 I N 0.504 121.064 120.570 -0.017 0.000 2.226 315 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 315 I C 2.439 178.569 176.117 0.022 0.000 1.100 315 I CA 0.661 61.963 61.300 0.004 0.000 1.374 315 I CB -0.140 37.857 38.000 -0.005 0.000 1.057 315 I HN 0.057 nan 8.210 nan 0.000 0.413 316 C N -0.093 119.204 119.300 -0.006 0.000 2.446 316 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 316 C C 2.861 177.865 174.990 0.023 0.000 1.275 316 C CA 0.783 59.798 59.018 -0.005 0.000 1.727 316 C CB -0.811 26.881 27.740 -0.079 0.000 2.010 316 C HN 0.512 nan 8.230 nan 0.000 0.486 317 Q N 1.601 121.402 119.800 0.002 0.000 2.050 317 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 317 Q C 2.098 178.137 176.000 0.065 0.000 0.980 317 Q CA 1.860 57.697 55.803 0.057 0.000 0.840 317 Q CB -0.349 28.398 28.738 0.014 0.000 0.898 317 Q HN 0.606 nan 8.270 nan 0.000 0.424 318 K N -0.571 119.832 120.400 0.005 0.000 2.026 318 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 318 K C 2.019 178.584 176.600 -0.058 0.000 1.048 318 K CA 1.281 57.521 56.287 -0.077 0.000 0.929 318 K CB -0.228 32.237 32.500 -0.058 0.000 0.713 318 K HN 0.254 nan 8.250 nan 0.000 0.439 319 L N -0.216 121.076 121.223 0.115 0.000 2.079 319 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 319 L C 2.354 179.326 176.870 0.171 0.000 1.081 319 L CA 1.361 56.324 54.840 0.204 0.000 0.752 319 L CB -0.412 41.766 42.059 0.197 0.000 0.896 319 L HN 0.335 nan 8.230 nan 0.000 0.433 320 Y N 0.085 120.386 120.300 0.000 0.000 2.230 320 Y HA -0.135 4.415 4.550 -0.000 0.000 0.294 320 Y C 2.550 178.436 175.900 -0.024 0.000 1.120 320 Y CA 1.583 59.682 58.100 -0.002 0.000 1.129 320 Y CB 0.032 38.477 38.460 -0.025 0.000 1.040 320 Y HN 0.095 nan 8.280 nan 0.000 0.519 321 E N -1.027 119.034 120.200 -0.232 0.000 2.140 321 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 321 E C 1.634 178.079 176.600 -0.259 0.000 0.973 321 E CA 1.275 57.453 56.400 -0.371 0.000 0.829 321 E CB 0.189 29.788 29.700 -0.169 0.000 0.781 321 E HN 0.474 nan 8.360 nan 0.000 0.466 322 T N -0.007 114.394 114.554 -0.254 0.000 2.781 322 T HA -0.029 4.321 4.350 -0.000 0.000 0.252 322 T C 1.455 175.991 174.700 -0.273 0.000 1.039 322 T CA 0.838 62.745 62.100 -0.323 0.000 1.147 322 T CB -0.260 68.297 68.868 -0.518 0.000 0.865 322 T HN 0.233 nan 8.240 nan 0.000 0.423 323 H N 1.401 120.422 119.070 -0.082 0.000 2.535 323 H HA 0.241 4.797 4.556 -0.000 0.000 0.273 323 H C 0.804 176.070 175.328 -0.104 0.000 0.983 323 H CA 0.417 56.405 56.048 -0.100 0.000 1.238 323 H CB -0.066 29.626 29.762 -0.117 0.000 1.412 323 H HN 0.415 nan 8.280 nan 0.000 0.562 324 K N 0.337 120.731 120.400 -0.011 0.000 2.975 324 K HA -0.188 4.132 4.320 -0.000 0.000 0.257 324 K C 0.791 177.411 176.600 0.034 0.000 1.005 324 K CA 0.268 56.538 56.287 -0.028 0.000 0.738 324 K CB -1.492 30.973 32.500 -0.059 0.000 1.236 324 K HN 0.295 nan 8.250 nan 0.000 0.483 325 L N 0.097 121.357 121.223 0.061 0.000 2.446 325 L HA 0.199 4.539 4.340 -0.000 0.000 0.219 325 L C 1.232 178.239 176.870 0.227 0.000 1.116 325 L CA 0.365 55.243 54.840 0.065 0.000 0.844 325 L CB -0.044 41.953 42.059 -0.104 0.000 0.970 325 L HN 0.336 nan 8.230 nan 0.000 0.457 326 I N -4.281 116.427 120.570 0.229 0.000 2.969 326 I HA 0.459 4.629 4.170 -0.000 0.000 0.307 326 I C 0.289 176.582 176.117 0.293 0.000 1.149 326 I CA -0.765 60.674 61.300 0.232 0.000 1.008 326 I CB 2.024 40.140 38.000 0.193 0.000 1.232 326 I HN -0.154 nan 8.210 nan 0.000 0.435 327 T N 0.580 115.288 114.554 0.258 0.000 2.689 327 T HA 0.184 4.534 4.350 -0.000 0.000 0.308 327 T C -0.006 174.762 174.700 0.113 0.000 1.021 327 T CA -0.053 62.231 62.100 0.308 0.000 0.973 327 T CB 0.198 69.297 68.868 0.385 0.000 1.113 327 T HN 0.594 nan 8.240 nan 0.000 0.522 328 Y N 3.385 123.597 120.300 -0.146 0.000 2.852 328 Y HA 0.162 4.712 4.550 -0.000 0.000 0.343 328 Y C -1.581 174.006 175.900 -0.521 0.000 1.280 328 Y CA -1.713 56.020 58.100 -0.611 0.000 1.604 328 Y CB 0.372 38.589 38.460 -0.405 0.000 1.216 328 Y HN 0.406 nan 8.280 nan 0.000 0.541 329 P HA 0.036 nan 4.420 nan 0.000 0.245 329 P C 0.060 176.903 177.300 -0.761 0.000 1.203 329 P CA 0.805 63.447 63.100 -0.763 0.000 0.792 329 P CB 0.383 31.743 31.700 -0.567 0.000 0.997 330 R N 0.005 119.757 120.500 -1.248 0.000 3.179 330 R HA 0.317 4.657 4.340 -0.000 0.000 0.317 330 R C 0.241 176.321 176.300 -0.367 0.000 1.331 330 R CA -0.046 55.659 56.100 -0.659 0.000 1.184 330 R CB -0.049 29.961 30.300 -0.483 0.000 1.408 330 R HN -0.011 nan 8.270 nan 0.000 0.598 331 S N 0.784 116.308 115.700 -0.293 0.000 2.489 331 S HA 0.064 4.534 4.470 -0.000 0.000 0.291 331 S C 0.598 175.203 174.600 0.009 0.000 1.151 331 S CA -0.868 57.309 58.200 -0.038 0.000 1.082 331 S CB 0.947 64.160 63.200 0.021 0.000 1.019 331 S HN 0.455 nan 8.310 nan 0.000 0.492 332 D N 2.440 122.886 120.400 0.076 0.000 2.340 332 D HA 0.047 4.687 4.640 -0.000 0.000 0.217 332 D C 0.525 176.878 176.300 0.087 0.000 1.081 332 D CA -0.218 53.822 54.000 0.065 0.000 0.842 332 D CB -0.561 40.282 40.800 0.071 0.000 0.934 332 D HN 0.275 nan 8.370 nan 0.000 0.511 333 C N 0.919 120.286 119.300 0.111 0.000 2.405 333 C HA 0.486 4.946 4.460 -0.000 0.000 0.365 333 C C 1.117 176.162 174.990 0.092 0.000 1.233 333 C CA -0.626 58.474 59.018 0.136 0.000 2.230 333 C CB 0.251 28.093 27.740 0.170 0.000 2.443 333 C HN 0.249 nan 8.230 nan 0.000 0.556 334 R N 2.649 123.191 120.500 0.070 0.000 2.613 334 R HA 0.231 4.571 4.340 -0.000 0.000 0.361 334 R C -1.231 174.785 176.300 -0.474 0.000 1.072 334 R CA 0.046 56.038 56.100 -0.179 0.000 1.089 334 R CB 0.331 30.482 30.300 -0.250 0.000 1.343 334 R HN 0.691 nan 8.270 nan 0.000 0.571 335 Y N -0.067 120.175 120.300 -0.096 0.000 2.602 335 Y HA 0.547 5.097 4.550 -0.000 0.000 0.342 335 Y C -0.061 175.748 175.900 -0.152 0.000 1.029 335 Y CA -0.981 57.024 58.100 -0.158 0.000 1.080 335 Y CB 1.887 40.284 38.460 -0.104 0.000 1.284 335 Y HN -0.202 nan 8.280 nan 0.000 0.485 336 L N 2.470 123.650 121.223 -0.072 0.000 2.354 336 L HA 0.586 4.926 4.340 -0.000 0.000 0.264 336 L C -2.714 174.152 176.870 -0.008 0.000 1.008 336 L CA -2.369 52.367 54.840 -0.174 0.000 0.819 336 L CB 2.576 44.379 42.059 -0.426 0.000 1.339 336 L HN 0.308 nan 8.230 nan 0.000 0.420 337 P HA 0.111 nan 4.420 nan 0.000 0.271 337 P C -0.074 177.407 177.300 0.301 0.000 1.218 337 P CA -0.178 62.976 63.100 0.090 0.000 0.780 337 P CB 0.688 32.411 31.700 0.039 0.000 0.901 338 E N 1.251 121.610 120.200 0.264 0.000 2.118 338 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 338 E C 1.183 177.948 176.600 0.275 0.000 0.992 338 E CA 1.495 58.062 56.400 0.279 0.000 0.804 338 E CB -0.204 29.586 29.700 0.151 0.000 0.741 338 E HN 0.565 nan 8.360 nan 0.000 0.458 339 E N -0.261 120.091 120.200 0.254 0.000 2.401 339 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 339 E C 1.471 178.243 176.600 0.287 0.000 1.023 339 E CA 0.671 57.209 56.400 0.231 0.000 0.859 339 E CB -0.087 29.733 29.700 0.200 0.000 0.780 339 E HN 0.418 nan 8.360 nan 0.000 0.523 340 H N -1.597 117.618 119.070 0.243 0.000 2.535 340 H HA -0.010 4.546 4.556 -0.000 0.000 0.273 340 H C 1.353 176.816 175.328 0.224 0.000 0.983 340 H CA 0.280 56.497 56.048 0.281 0.000 1.238 340 H CB 0.114 30.103 29.762 0.379 0.000 1.412 340 H HN 0.208 nan 8.280 nan 0.000 0.562 341 F N 1.856 121.771 119.950 -0.058 0.000 2.161 341 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 341 F C 2.506 178.138 175.800 -0.279 0.000 1.089 341 F CA 1.197 58.827 58.000 -0.617 0.000 1.282 341 F CB -0.164 38.329 39.000 -0.846 0.000 1.010 341 F HN 0.043 nan 8.300 nan 0.000 0.485 342 A N -0.331 122.453 122.820 -0.062 0.000 2.121 342 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 342 A C 2.261 179.782 177.584 -0.105 0.000 1.154 342 A CA 1.286 53.276 52.037 -0.078 0.000 0.679 342 A CB -1.527 17.488 19.000 0.025 0.000 0.795 342 A HN 0.458 nan 8.150 nan 0.000 0.458 343 G N -0.082 108.659 108.800 -0.097 0.000 3.042 343 G HA2 0.034 3.994 3.960 -0.000 0.000 0.212 343 G HA3 0.034 3.994 3.960 -0.000 0.000 0.212 343 G C 1.425 176.277 174.900 -0.079 0.000 1.166 343 G CA 0.427 45.485 45.100 -0.070 0.000 0.767 343 G HN 0.722 nan 8.290 nan 0.000 0.546 344 R N -0.043 120.321 120.500 -0.228 0.000 2.105 344 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 344 R C 1.729 177.854 176.300 -0.293 0.000 1.135 344 R CA 1.421 57.378 56.100 -0.239 0.000 0.967 344 R CB -0.897 29.045 30.300 -0.597 0.000 0.861 344 R HN 0.351 nan 8.270 nan 0.000 0.442 345 H N 1.019 119.996 119.070 -0.155 0.000 2.387 345 H HA 0.041 4.597 4.556 -0.000 0.000 0.299 345 H C 2.285 177.571 175.328 -0.070 0.000 1.090 345 H CA 1.632 57.604 56.048 -0.127 0.000 1.332 345 H CB -0.198 29.488 29.762 -0.126 0.000 1.386 345 H HN 0.474 nan 8.280 nan 0.000 0.516 346 A N 0.884 123.731 122.820 0.046 0.000 1.930 346 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 346 A C 2.823 180.413 177.584 0.009 0.000 1.175 346 A CA 1.336 53.387 52.037 0.022 0.000 0.627 346 A CB -0.720 18.287 19.000 0.012 0.000 0.815 346 A HN 0.200 nan 8.150 nan 0.000 0.443 347 V N -0.173 119.737 119.914 -0.007 0.000 2.358 347 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 347 V C 2.610 178.690 176.094 -0.023 0.000 1.047 347 V CA 2.206 64.476 62.300 -0.049 0.000 1.035 347 V CB -0.735 30.984 31.823 -0.173 0.000 0.658 347 V HN 0.566 nan 8.190 nan 0.000 0.452 348 M N 0.090 119.699 119.600 0.015 0.000 2.159 348 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 348 M C 2.261 178.575 176.300 0.023 0.000 1.063 348 M CA 1.800 57.120 55.300 0.033 0.000 1.110 348 M CB -0.674 31.919 32.600 -0.013 0.000 1.374 348 M HN 0.456 nan 8.290 nan 0.000 0.411 349 N N 0.669 119.377 118.700 0.013 0.000 2.084 349 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 349 N C 1.655 177.151 175.510 -0.024 0.000 1.030 349 N CA 1.732 54.779 53.050 -0.004 0.000 0.849 349 N CB 0.061 38.545 38.487 -0.005 0.000 1.012 349 N HN 0.327 nan 8.380 nan 0.000 0.423 350 A N 1.382 124.204 122.820 0.003 0.000 1.933 350 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 350 A C 2.316 179.920 177.584 0.033 0.000 1.175 350 A CA 0.828 52.868 52.037 0.005 0.000 0.628 350 A CB -0.602 18.483 19.000 0.141 0.000 0.814 350 A HN 0.359 nan 8.150 nan 0.000 0.444 351 I N 0.764 121.411 120.570 0.129 0.000 2.163 351 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 351 I C 2.901 179.082 176.117 0.106 0.000 1.085 351 I CA 1.781 63.207 61.300 0.211 0.000 1.347 351 I CB -0.380 37.710 38.000 0.149 0.000 1.044 351 I HN 0.522 nan 8.210 nan 0.000 0.408 352 S N 0.277 115.994 115.700 0.028 0.000 2.420 352 S HA -0.133 4.337 4.470 -0.000 0.000 0.237 352 S C 1.856 176.416 174.600 -0.067 0.000 1.023 352 S CA 1.424 59.622 58.200 -0.004 0.000 0.991 352 S CB -0.808 62.385 63.200 -0.011 0.000 0.792 352 S HN 0.280 nan 8.310 nan 0.000 0.488 353 V N 1.656 121.456 119.914 -0.191 0.000 2.331 353 V HA -0.026 4.094 4.120 -0.000 0.000 0.242 353 V C 2.551 178.460 176.094 -0.307 0.000 1.034 353 V CA 1.532 63.641 62.300 -0.319 0.000 1.027 353 V CB -0.774 30.741 31.823 -0.513 0.000 0.667 353 V HN 0.612 nan 8.190 nan 0.000 0.457 354 H N 0.299 119.339 119.070 -0.051 0.000 2.497 354 H HA 0.382 4.938 4.556 -0.000 0.000 0.282 354 H C 1.148 176.446 175.328 -0.049 0.000 1.003 354 H CA 1.004 56.941 56.048 -0.184 0.000 1.307 354 H CB 0.213 29.625 29.762 -0.583 0.000 1.437 354 H HN 0.441 nan 8.280 nan 0.000 0.544 355 A N 2.525 125.485 122.820 0.234 0.000 3.105 355 A HA 0.313 4.633 4.320 -0.000 0.000 0.336 355 A C -1.824 175.840 177.584 0.133 0.000 1.042 355 A CA -1.205 50.969 52.037 0.229 0.000 0.851 355 A CB 0.615 19.829 19.000 0.358 0.000 1.068 355 A HN 0.002 nan 8.150 nan 0.000 0.477 356 P HA -0.050 nan 4.420 nan 0.000 0.229 356 P C 0.282 177.613 177.300 0.052 0.000 1.160 356 P CA 0.820 63.947 63.100 0.044 0.000 0.777 356 P CB 0.341 32.050 31.700 0.014 0.000 0.814 357 D N -0.168 120.271 120.400 0.066 0.000 2.264 357 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 357 D C 1.966 178.311 176.300 0.074 0.000 0.966 357 D CA 0.775 54.814 54.000 0.065 0.000 0.864 357 D CB -0.446 40.397 40.800 0.071 0.000 0.933 357 D HN 0.254 nan 8.370 nan 0.000 0.499 358 L N -0.557 120.720 121.223 0.090 0.000 2.240 358 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 358 L C 0.830 177.749 176.870 0.082 0.000 1.106 358 L CA 0.568 55.466 54.840 0.097 0.000 0.793 358 L CB 0.103 42.235 42.059 0.122 0.000 0.927 358 L HN -0.075 nan 8.230 nan 0.000 0.446 359 L N -0.401 120.863 121.223 0.068 0.000 2.370 359 L HA 0.465 4.805 4.340 -0.000 0.000 0.266 359 L C -2.299 174.592 176.870 0.036 0.000 1.002 359 L CA -1.849 53.023 54.840 0.052 0.000 0.818 359 L CB 2.136 44.225 42.059 0.050 0.000 1.325 359 L HN -0.183 nan 8.230 nan 0.000 0.418 360 P HA 0.288 nan 4.420 nan 0.000 0.278 360 P C -1.670 175.651 177.300 0.035 0.000 1.258 360 P CA -0.614 62.503 63.100 0.028 0.000 0.811 360 P CB 1.596 33.307 31.700 0.018 0.000 1.063 361 Q N 0.873 120.696 119.800 0.038 0.000 2.444 361 Q HA 0.247 4.587 4.340 -0.000 0.000 0.239 361 Q C -2.186 173.840 176.000 0.043 0.000 0.853 361 Q CA -1.294 54.535 55.803 0.044 0.000 0.856 361 Q CB 1.660 30.434 28.738 0.060 0.000 1.413 361 Q HN 0.114 nan 8.270 nan 0.000 0.437 362 P HA -0.236 nan 4.420 nan 0.000 0.216 362 P C 1.054 178.381 177.300 0.045 0.000 1.157 362 P CA 1.250 64.370 63.100 0.034 0.000 0.880 362 P CB 0.202 31.917 31.700 0.025 0.000 0.791 363 V N -1.065 118.880 119.914 0.051 0.000 2.469 363 V HA -0.153 3.967 4.120 -0.000 0.000 0.251 363 V C 1.400 177.552 176.094 0.097 0.000 1.064 363 V CA 0.996 63.336 62.300 0.067 0.000 1.066 363 V CB -1.190 30.671 31.823 0.064 0.000 0.667 363 V HN -0.053 nan 8.190 nan 0.000 0.461 364 V N 2.342 122.315 119.914 0.098 0.000 2.446 364 V HA 0.135 4.255 4.120 -0.000 0.000 0.276 364 V C -0.051 176.102 176.094 0.099 0.000 1.030 364 V CA 0.270 62.645 62.300 0.125 0.000 1.033 364 V CB 0.727 32.609 31.823 0.099 0.000 0.993 364 V HN 0.475 nan 8.190 nan 0.000 0.477 365 D N 7.449 127.942 120.400 0.155 0.000 2.454 365 D HA 0.389 5.029 4.640 -0.000 0.000 0.247 365 D C -1.918 174.473 176.300 0.152 0.000 1.129 365 D CA -2.233 51.843 54.000 0.128 0.000 0.877 365 D CB 2.282 43.165 40.800 0.138 0.000 1.082 365 D HN 0.187 nan 8.370 nan 0.000 0.537 366 P HA -0.045 nan 4.420 nan 0.000 0.234 366 P C 0.525 177.868 177.300 0.073 0.000 1.162 366 P CA 0.716 63.708 63.100 -0.181 0.000 0.759 366 P CB 0.364 31.965 31.700 -0.165 0.000 0.813 367 D N -1.106 119.404 120.400 0.183 0.000 2.327 367 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 367 D C 0.588 177.064 176.300 0.294 0.000 0.989 367 D CA 0.071 54.204 54.000 0.221 0.000 0.873 367 D CB -0.160 40.724 40.800 0.140 0.000 0.955 367 D HN 0.039 nan 8.370 nan 0.000 0.515 368 I N 1.518 122.286 120.570 0.330 0.000 2.533 368 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 368 I C 0.532 176.828 176.117 0.298 0.000 1.109 368 I CA -0.051 61.402 61.300 0.255 0.000 1.412 368 I CB 0.816 38.942 38.000 0.210 0.000 1.396 368 I HN -0.051 nan 8.210 nan 0.000 0.543 369 R N 6.564 127.083 120.500 0.032 0.000 2.310 369 R HA 0.226 4.566 4.340 -0.000 0.000 0.316 369 R C -0.439 175.830 176.300 -0.052 0.000 1.004 369 R CA -0.565 55.372 56.100 -0.272 0.000 0.900 369 R CB 0.504 30.362 30.300 -0.737 0.000 1.152 369 R HN 0.774 nan 8.270 nan 0.000 0.513 370 N N 3.089 121.863 118.700 0.124 0.000 2.531 370 N HA 0.068 4.808 4.740 -0.000 0.000 0.301 370 N C 0.827 176.395 175.510 0.096 0.000 1.310 370 N CA -0.420 52.667 53.050 0.063 0.000 0.949 370 N CB 0.246 38.713 38.487 -0.033 0.000 1.111 370 N HN 0.487 nan 8.380 nan 0.000 0.565 371 R N -1.110 119.391 120.500 0.001 0.000 2.148 371 R HA -0.008 4.332 4.340 -0.000 0.000 0.227 371 R C 2.006 178.326 176.300 0.032 0.000 1.103 371 R CA 1.398 57.516 56.100 0.029 0.000 0.983 371 R CB -1.274 29.037 30.300 0.018 0.000 0.874 371 R HN 0.669 nan 8.270 nan 0.000 0.451 372 C N -0.072 119.097 119.300 -0.219 0.000 2.432 372 C HA 0.067 4.527 4.460 -0.000 0.000 0.282 372 C C 0.485 175.270 174.990 -0.342 0.000 1.388 372 C CA -1.183 57.578 59.018 -0.428 0.000 1.777 372 C CB -1.280 25.981 27.740 -0.799 0.000 1.882 372 C HN 0.534 nan 8.230 nan 0.000 0.520 373 W N 2.431 123.738 121.300 0.011 0.000 2.422 373 W HA 0.531 5.191 4.660 -0.000 0.000 0.349 373 W C 0.026 176.556 176.519 0.019 0.000 1.062 373 W CA -0.223 57.132 57.345 0.016 0.000 1.497 373 W CB -0.113 29.317 29.460 -0.050 0.000 1.407 373 W HN 0.220 nan 8.180 nan 0.000 0.393 374 D N 2.297 122.800 120.400 0.172 0.000 2.333 374 D HA 0.003 4.643 4.640 -0.000 0.000 0.225 374 D C 0.467 176.772 176.300 0.008 0.000 1.345 374 D CA -0.251 53.784 54.000 0.058 0.000 0.971 374 D CB 0.846 41.626 40.800 -0.033 0.000 1.451 374 D HN 0.150 nan 8.370 nan 0.000 0.561 375 D N 1.871 122.287 120.400 0.028 0.000 2.182 375 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 375 D C 1.460 177.747 176.300 -0.022 0.000 0.986 375 D CA 0.877 54.889 54.000 0.021 0.000 0.847 375 D CB 0.428 41.249 40.800 0.035 0.000 0.942 375 D HN 0.482 nan 8.370 nan 0.000 0.467 376 K N 0.440 120.807 120.400 -0.056 0.000 2.362 376 K HA -0.034 4.286 4.320 -0.000 0.000 0.200 376 K C 1.415 177.934 176.600 -0.134 0.000 1.046 376 K CA 0.657 56.896 56.287 -0.081 0.000 0.952 376 K CB 0.208 32.657 32.500 -0.084 0.000 0.753 376 K HN 0.138 nan 8.250 nan 0.000 0.466 377 K N 0.697 120.973 120.400 -0.207 0.000 2.358 377 K HA 0.134 4.454 4.320 -0.000 0.000 0.200 377 K C -0.254 176.279 176.600 -0.112 0.000 1.030 377 K CA 0.035 56.142 56.287 -0.299 0.000 1.097 377 K CB 1.144 33.127 32.500 -0.862 0.000 0.862 377 K HN -0.138 nan 8.250 nan 0.000 0.534 378 V N 2.977 122.870 119.914 -0.035 0.000 2.348 378 V HA 0.055 4.175 4.120 -0.000 0.000 0.270 378 V C 0.266 176.365 176.094 0.010 0.000 1.037 378 V CA -0.227 62.094 62.300 0.034 0.000 0.872 378 V CB 1.095 32.959 31.823 0.068 0.000 1.002 378 V HN 0.140 nan 8.190 nan 0.000 0.464 379 D N 4.421 124.827 120.400 0.010 0.000 2.525 379 D HA 0.183 4.823 4.640 -0.000 0.000 0.261 379 D C 1.743 178.001 176.300 -0.071 0.000 1.379 379 D CA 0.876 54.866 54.000 -0.017 0.000 1.074 379 D CB 0.275 41.074 40.800 -0.001 0.000 0.939 379 D HN 0.522 nan 8.370 nan 0.000 0.272 380 A N -0.076 122.667 122.820 -0.128 0.000 2.044 380 A HA 0.048 4.368 4.320 -0.000 0.000 0.213 380 A C 0.774 177.926 177.584 -0.720 0.000 1.169 380 A CA 0.837 52.648 52.037 -0.377 0.000 0.724 380 A CB -0.112 18.672 19.000 -0.360 0.000 0.840 380 A HN 0.330 nan 8.150 nan 0.000 0.463 381 H N -2.045 117.016 119.070 -0.014 0.000 2.943 381 H HA 0.499 5.055 4.556 -0.000 0.000 0.323 381 H C -1.122 174.225 175.328 0.031 0.000 1.296 381 H CA -0.320 55.700 56.048 -0.046 0.000 1.155 381 H CB 1.098 30.855 29.762 -0.008 0.000 1.882 381 H HN 0.575 nan 8.280 nan 0.000 0.553 382 H N -1.103 118.081 119.070 0.192 0.000 2.771 382 H HA 0.711 5.267 4.556 -0.000 0.000 0.367 382 H C -0.380 175.000 175.328 0.087 0.000 1.172 382 H CA -0.721 55.380 56.048 0.088 0.000 1.186 382 H CB 0.552 30.307 29.762 -0.012 0.000 1.790 382 H HN 0.779 nan 8.280 nan 0.000 0.556 383 A N 1.250 124.236 122.820 0.276 0.000 2.547 383 A HA 0.221 4.541 4.320 -0.000 0.000 0.233 383 A C 0.210 177.935 177.584 0.235 0.000 1.067 383 A CA -0.256 51.879 52.037 0.163 0.000 0.763 383 A CB -0.610 18.405 19.000 0.024 0.000 1.007 383 A HN 0.652 nan 8.150 nan 0.000 0.506 384 I N 2.061 122.709 120.570 0.130 0.000 2.517 384 I HA 0.288 4.458 4.170 -0.000 0.000 0.285 384 I C 0.269 176.470 176.117 0.140 0.000 1.106 384 I CA 0.511 61.878 61.300 0.112 0.000 1.402 384 I CB -0.347 37.678 38.000 0.043 0.000 1.399 384 I HN 0.581 nan 8.210 nan 0.000 0.535 385 I N 4.728 125.391 120.570 0.156 0.000 3.095 385 I HA 0.675 4.845 4.170 -0.000 0.000 0.310 385 I C -2.918 173.213 176.117 0.024 0.000 1.196 385 I CA -2.824 58.529 61.300 0.087 0.000 0.985 385 I CB 2.208 40.294 38.000 0.144 0.000 1.250 385 I HN 0.140 nan 8.210 nan 0.000 0.446 386 P HA 0.172 nan 4.420 nan 0.000 0.269 386 P C -0.373 176.941 177.300 0.023 0.000 1.215 386 P CA -0.000 63.077 63.100 -0.037 0.000 0.780 386 P CB 0.576 32.197 31.700 -0.132 0.000 0.898 387 T N -1.636 112.994 114.554 0.128 0.000 2.824 387 T HA 0.472 4.822 4.350 -0.000 0.000 0.277 387 T C 1.064 175.820 174.700 0.093 0.000 0.975 387 T CA -0.406 61.762 62.100 0.113 0.000 0.966 387 T CB 0.548 69.492 68.868 0.126 0.000 1.054 387 T HN 0.292 nan 8.240 nan 0.000 0.533 388 A N -0.186 122.675 122.820 0.068 0.000 2.278 388 A HA 0.225 4.545 4.320 -0.000 0.000 0.212 388 A C 1.244 178.877 177.584 0.080 0.000 1.213 388 A CA -0.296 51.776 52.037 0.059 0.000 0.840 388 A CB -0.599 18.418 19.000 0.027 0.000 0.866 388 A HN 0.766 nan 8.150 nan 0.000 0.489 389 R N 1.216 121.778 120.500 0.104 0.000 2.402 389 R HA 0.116 4.456 4.340 -0.000 0.000 0.331 389 R C 0.763 177.194 176.300 0.217 0.000 1.040 389 R CA 0.736 56.902 56.100 0.109 0.000 0.980 389 R CB 0.272 30.614 30.300 0.070 0.000 0.967 389 R HN 0.404 nan 8.270 nan 0.000 0.440 390 S N 1.063 116.842 115.700 0.131 0.000 2.511 390 S HA -0.008 4.462 4.470 -0.000 0.000 0.214 390 S C 0.451 175.075 174.600 0.041 0.000 0.997 390 S CA -0.109 58.129 58.200 0.062 0.000 0.908 390 S CB 0.249 63.443 63.200 -0.010 0.000 0.803 390 S HN 0.571 nan 8.310 nan 0.000 0.504 391 S N 2.054 117.799 115.700 0.075 0.000 2.562 391 S HA 0.624 5.094 4.470 -0.000 0.000 0.281 391 S C 0.343 175.006 174.600 0.105 0.000 1.333 391 S CA -0.392 57.840 58.200 0.053 0.000 1.052 391 S CB 0.546 63.765 63.200 0.031 0.000 0.884 391 S HN 0.689 nan 8.310 nan 0.000 0.506 392 A N 3.338 126.189 122.820 0.052 0.000 2.488 392 A HA 0.570 4.890 4.320 -0.000 0.000 0.249 392 A C 0.062 177.663 177.584 0.029 0.000 1.083 392 A CA -0.432 51.638 52.037 0.055 0.000 0.768 392 A CB -0.372 18.630 19.000 0.004 0.000 1.017 392 A HN 0.870 nan 8.150 nan 0.000 0.496 393 I N 2.396 122.970 120.570 0.007 0.000 2.647 393 I HA 0.215 4.385 4.170 -0.000 0.000 0.295 393 I C -0.589 175.448 176.117 -0.134 0.000 1.078 393 I CA -0.828 60.412 61.300 -0.099 0.000 1.048 393 I CB 2.162 40.036 38.000 -0.210 0.000 1.239 393 I HN 0.626 nan 8.210 nan 0.000 0.421 394 N N 6.475 125.095 118.700 -0.133 0.000 2.499 394 N HA 0.544 5.284 4.740 -0.000 0.000 0.281 394 N C -0.996 174.388 175.510 -0.210 0.000 1.098 394 N CA -0.156 52.815 53.050 -0.131 0.000 0.979 394 N CB 1.700 40.141 38.487 -0.076 0.000 1.121 394 N HN 0.357 nan 8.380 nan 0.000 0.466 395 L N 0.668 121.780 121.223 -0.185 0.000 2.341 395 L HA 0.428 4.768 4.340 -0.000 0.000 0.267 395 L C 0.996 177.798 176.870 -0.112 0.000 1.009 395 L CA -0.992 53.725 54.840 -0.205 0.000 0.819 395 L CB 1.915 43.839 42.059 -0.226 0.000 1.323 395 L HN 0.517 nan 8.230 nan 0.000 0.425 396 T N -3.313 111.191 114.554 -0.084 0.000 2.813 396 T HA 0.028 4.378 4.350 -0.000 0.000 0.297 396 T C 0.939 175.595 174.700 -0.073 0.000 1.036 396 T CA -0.309 61.756 62.100 -0.059 0.000 1.044 396 T CB 1.262 70.108 68.868 -0.037 0.000 0.993 396 T HN 0.808 nan 8.240 nan 0.000 0.535 397 E N 0.989 121.146 120.200 -0.071 0.000 2.049 397 E HA -0.287 4.063 4.350 -0.000 0.000 0.198 397 E C 1.743 178.258 176.600 -0.141 0.000 1.007 397 E CA 1.728 58.073 56.400 -0.093 0.000 0.809 397 E CB -0.159 29.492 29.700 -0.081 0.000 0.749 397 E HN 0.645 nan 8.360 nan 0.000 0.450 398 N N 0.682 119.303 118.700 -0.132 0.000 2.084 398 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 398 N C 1.682 177.120 175.510 -0.121 0.000 1.030 398 N CA 1.286 54.239 53.050 -0.163 0.000 0.849 398 N CB -0.355 38.068 38.487 -0.108 0.000 1.012 398 N HN 0.313 nan 8.380 nan 0.000 0.423 399 E N 0.716 120.876 120.200 -0.067 0.000 2.070 399 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 399 E C 1.922 178.510 176.600 -0.019 0.000 1.004 399 E CA 1.361 57.745 56.400 -0.027 0.000 0.805 399 E CB -0.131 29.553 29.700 -0.027 0.000 0.744 399 E HN 0.377 nan 8.360 nan 0.000 0.451 400 A N 1.352 124.138 122.820 -0.056 0.000 1.902 400 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 400 A C 1.947 179.536 177.584 0.007 0.000 1.181 400 A CA 1.532 53.559 52.037 -0.018 0.000 0.623 400 A CB -0.294 18.680 19.000 -0.044 0.000 0.818 400 A HN 0.051 nan 8.150 nan 0.000 0.443 401 K N -0.567 119.752 120.400 -0.135 0.000 2.057 401 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 401 K C 1.846 178.409 176.600 -0.060 0.000 1.049 401 K CA 1.500 57.627 56.287 -0.266 0.000 0.931 401 K CB -0.311 31.652 32.500 -0.895 0.000 0.714 401 K HN 0.303 nan 8.250 nan 0.000 0.440 402 V N 0.285 120.180 119.914 -0.030 0.000 2.379 402 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 402 V C 1.947 178.114 176.094 0.121 0.000 1.044 402 V CA 1.447 63.780 62.300 0.056 0.000 1.036 402 V CB -0.459 31.376 31.823 0.020 0.000 0.664 402 V HN 0.290 nan 8.190 nan 0.000 0.453 403 Y N 1.487 121.803 120.300 0.027 0.000 2.224 403 Y HA -0.242 4.308 4.550 -0.000 0.000 0.289 403 Y C 2.639 178.599 175.900 0.100 0.000 1.146 403 Y CA 2.133 60.266 58.100 0.056 0.000 1.182 403 Y CB -0.276 38.198 38.460 0.023 0.000 0.983 403 Y HN 0.292 nan 8.280 nan 0.000 0.524 404 N N 0.752 119.594 118.700 0.237 0.000 2.069 404 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 404 N C 1.877 177.474 175.510 0.145 0.000 1.031 404 N CA 1.962 55.125 53.050 0.189 0.000 0.852 404 N CB -0.420 38.192 38.487 0.208 0.000 1.018 404 N HN 0.514 nan 8.380 nan 0.000 0.423 405 L N 0.840 122.187 121.223 0.208 0.000 2.042 405 L HA -0.165 4.174 4.340 -0.000 0.000 0.210 405 L C 2.523 179.594 176.870 0.336 0.000 1.076 405 L CA 0.948 55.969 54.840 0.301 0.000 0.749 405 L CB -0.374 41.879 42.059 0.322 0.000 0.893 405 L HN 0.195 nan 8.230 nan 0.000 0.432 406 I N -0.293 120.400 120.570 0.205 0.000 2.127 406 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 406 I C 2.796 178.914 176.117 0.001 0.000 1.075 406 I CA 1.355 62.749 61.300 0.157 0.000 1.334 406 I CB -0.496 37.505 38.000 0.001 0.000 1.040 406 I HN 0.221 nan 8.210 nan 0.000 0.405 407 A N 0.531 123.239 122.820 -0.187 0.000 1.902 407 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 407 A C 2.443 180.073 177.584 0.077 0.000 1.181 407 A CA 1.621 53.576 52.037 -0.136 0.000 0.623 407 A CB -0.652 18.180 19.000 -0.281 0.000 0.818 407 A HN 0.336 nan 8.150 nan 0.000 0.443 408 R N -0.920 119.630 120.500 0.083 0.000 2.096 408 R HA -0.212 4.128 4.340 -0.000 0.000 0.235 408 R C 2.333 178.671 176.300 0.063 0.000 1.127 408 R CA 1.919 58.087 56.100 0.113 0.000 0.968 408 R CB -0.211 30.170 30.300 0.136 0.000 0.861 408 R HN 0.564 nan 8.270 nan 0.000 0.440 409 Q N -0.771 119.012 119.800 -0.028 0.000 2.167 409 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 409 Q C 1.612 177.523 176.000 -0.149 0.000 0.970 409 Q CA 1.567 57.215 55.803 -0.258 0.000 0.855 409 Q CB -0.314 27.982 28.738 -0.737 0.000 0.911 409 Q HN 0.470 nan 8.270 nan 0.000 0.438 410 Y N 0.014 120.244 120.300 -0.117 0.000 2.145 410 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 410 Y C 1.509 177.482 175.900 0.121 0.000 1.145 410 Y CA 1.736 59.825 58.100 -0.019 0.000 1.148 410 Y CB -0.100 38.391 38.460 0.051 0.000 0.981 410 Y HN 0.112 nan 8.280 nan 0.000 0.507 411 L N -0.542 120.831 121.223 0.248 0.000 2.141 411 L HA -0.256 4.084 4.340 -0.000 0.000 0.209 411 L C 2.438 179.418 176.870 0.183 0.000 1.094 411 L CA 1.352 56.359 54.840 0.278 0.000 0.763 411 L CB -0.531 41.675 42.059 0.245 0.000 0.908 411 L HN 0.339 nan 8.230 nan 0.000 0.437 412 M N -0.809 118.825 119.600 0.056 0.000 2.267 412 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 412 M C 2.074 178.321 176.300 -0.089 0.000 1.063 412 M CA 1.374 56.687 55.300 0.022 0.000 1.090 412 M CB -0.264 32.280 32.600 -0.093 0.000 1.392 412 M HN 0.230 nan 8.290 nan 0.000 0.422 413 Q N -0.640 119.010 119.800 -0.250 0.000 2.437 413 Q HA -0.043 4.297 4.340 -0.000 0.000 0.210 413 Q C 0.913 176.618 176.000 -0.492 0.000 0.972 413 Q CA 1.270 56.795 55.803 -0.463 0.000 0.903 413 Q CB -0.269 28.028 28.738 -0.734 0.000 0.967 413 Q HN 0.557 nan 8.270 nan 0.000 0.486 414 F N -1.256 118.708 119.950 0.022 0.000 2.668 414 F HA 0.180 4.707 4.527 -0.000 0.000 0.301 414 F C 0.332 176.177 175.800 0.074 0.000 1.106 414 F CA -0.584 57.457 58.000 0.068 0.000 1.289 414 F CB 0.637 39.658 39.000 0.034 0.000 1.006 414 F HN -0.159 nan 8.300 nan 0.000 0.535 415 C N 0.784 120.190 119.300 0.177 0.000 2.435 415 C HA 0.567 5.027 4.460 -0.000 0.000 0.333 415 C C -1.904 173.181 174.990 0.158 0.000 1.202 415 C CA -1.673 57.453 59.018 0.180 0.000 1.830 415 C CB 1.581 29.456 27.740 0.225 0.000 2.326 415 C HN 0.068 nan 8.230 nan 0.000 0.507 416 P HA 0.192 nan 4.420 nan 0.000 0.274 416 P C -0.795 176.617 177.300 0.186 0.000 1.256 416 P CA -0.210 62.966 63.100 0.127 0.000 0.795 416 P CB 0.396 32.150 31.700 0.089 0.000 1.038 417 D N -0.413 120.085 120.400 0.164 0.000 2.443 417 D HA 0.229 4.869 4.640 -0.000 0.000 0.239 417 D C 0.298 176.705 176.300 0.177 0.000 1.136 417 D CA 0.348 54.485 54.000 0.228 0.000 0.879 417 D CB 0.122 41.014 40.800 0.154 0.000 1.195 417 D HN 0.316 nan 8.370 nan 0.000 0.443 418 A N 1.790 124.732 122.820 0.204 0.000 2.425 418 A HA 0.393 4.713 4.320 -0.000 0.000 0.249 418 A C -0.186 177.399 177.584 0.002 0.000 1.084 418 A CA -0.393 51.611 52.037 -0.056 0.000 0.781 418 A CB 0.485 19.352 19.000 -0.223 0.000 1.019 418 A HN 0.332 nan 8.150 nan 0.000 0.490 419 V N 2.852 122.687 119.914 -0.133 0.000 2.487 419 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 419 V C -0.763 175.222 176.094 -0.181 0.000 1.028 419 V CA -0.247 62.030 62.300 -0.038 0.000 0.860 419 V CB 0.982 32.800 31.823 -0.009 0.000 0.991 419 V HN 0.724 nan 8.190 nan 0.000 0.427 420 F N 3.215 123.174 119.950 0.014 0.000 2.432 420 F HA 0.648 5.175 4.527 -0.000 0.000 0.329 420 F C 0.797 176.612 175.800 0.026 0.000 1.076 420 F CA -0.730 57.281 58.000 0.018 0.000 1.018 420 F CB 1.436 40.437 39.000 0.003 0.000 1.201 420 F HN 0.223 nan 8.300 nan 0.000 0.489 421 R N 1.750 122.385 120.500 0.225 0.000 2.310 421 R HA 0.331 4.671 4.340 -0.000 0.000 0.324 421 R C -0.942 175.452 176.300 0.156 0.000 0.955 421 R CA -0.903 55.287 56.100 0.150 0.000 0.830 421 R CB 1.906 32.271 30.300 0.109 0.000 1.154 421 R HN 0.513 nan 8.270 nan 0.000 0.458 422 K N 2.847 123.297 120.400 0.084 0.000 2.293 422 K HA 0.233 4.553 4.320 -0.000 0.000 0.267 422 K C -1.099 175.484 176.600 -0.028 0.000 1.010 422 K CA -0.423 55.884 56.287 0.034 0.000 0.875 422 K CB 1.192 33.691 32.500 -0.001 0.000 1.106 422 K HN 0.547 nan 8.250 nan 0.000 0.450 423 C N 4.986 124.265 119.300 -0.035 0.000 2.329 423 C HA 0.662 5.121 4.460 -0.000 0.000 0.329 423 C C -0.838 174.065 174.990 -0.145 0.000 1.275 423 C CA -0.388 58.542 59.018 -0.145 0.000 1.726 423 C CB 0.271 27.935 27.740 -0.125 0.000 2.291 423 C HN 0.622 nan 8.230 nan 0.000 0.514 424 V N 7.990 127.774 119.914 -0.218 0.000 2.443 424 V HA 0.468 4.588 4.120 -0.000 0.000 0.293 424 V C -0.264 175.741 176.094 -0.149 0.000 1.021 424 V CA -0.227 61.992 62.300 -0.135 0.000 0.848 424 V CB 1.386 33.156 31.823 -0.088 0.000 0.998 424 V HN 0.757 nan 8.190 nan 0.000 0.424 425 I N 4.263 124.800 120.570 -0.055 0.000 2.354 425 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 425 I C 0.067 176.253 176.117 0.116 0.000 0.989 425 I CA -0.283 61.042 61.300 0.043 0.000 1.188 425 I CB 1.614 39.642 38.000 0.046 0.000 1.342 425 I HN 0.600 nan 8.210 nan 0.000 0.457 426 E N 7.114 127.390 120.200 0.127 0.000 2.183 426 E HA 0.707 5.056 4.350 -0.000 0.000 0.271 426 E C -1.203 175.506 176.600 0.182 0.000 0.919 426 E CA -0.716 55.773 56.400 0.149 0.000 0.781 426 E CB 2.516 32.278 29.700 0.103 0.000 1.140 426 E HN 0.403 nan 8.360 nan 0.000 0.402 427 L N 1.503 122.865 121.223 0.231 0.000 2.350 427 L HA 0.479 4.819 4.340 -0.000 0.000 0.260 427 L C -0.752 176.265 176.870 0.246 0.000 1.015 427 L CA -1.170 53.803 54.840 0.221 0.000 0.821 427 L CB 1.925 44.111 42.059 0.213 0.000 1.370 427 L HN 0.366 nan 8.230 nan 0.000 0.416 428 D N 2.095 122.603 120.400 0.179 0.000 2.280 428 D HA 0.604 5.244 4.640 -0.000 0.000 0.236 428 D C -0.776 175.599 176.300 0.125 0.000 1.082 428 D CA 0.148 54.254 54.000 0.176 0.000 0.834 428 D CB 1.565 42.435 40.800 0.117 0.000 1.100 428 D HN 0.246 nan 8.370 nan 0.000 0.486 429 I N 1.380 122.052 120.570 0.171 0.000 2.468 429 I HA 0.382 4.552 4.170 -0.000 0.000 0.284 429 I C 0.248 176.413 176.117 0.079 0.000 1.038 429 I CA -1.065 60.245 61.300 0.017 0.000 1.083 429 I CB 1.836 39.659 38.000 -0.295 0.000 1.223 429 I HN 0.444 nan 8.210 nan 0.000 0.443 430 A N 5.959 128.794 122.820 0.026 0.000 2.560 430 A HA -0.229 4.091 4.320 -0.000 0.000 0.299 430 A C 1.196 178.813 177.584 0.056 0.000 1.484 430 A CA 1.154 53.201 52.037 0.016 0.000 0.749 430 A CB -1.140 17.839 19.000 -0.036 0.000 1.072 430 A HN 0.864 nan 8.150 nan 0.000 0.426 431 K N -4.326 116.125 120.400 0.085 0.000 3.587 431 K HA -0.206 4.114 4.320 -0.000 0.000 0.294 431 K C 0.627 177.322 176.600 0.159 0.000 1.279 431 K CA 1.888 58.237 56.287 0.103 0.000 1.004 431 K CB -2.495 30.052 32.500 0.078 0.000 1.276 431 K HN 2.139 nan 8.250 nan 0.000 0.459 432 G N 1.175 110.109 108.800 0.223 0.000 2.389 432 G HA2 0.503 4.463 3.960 -0.000 0.000 0.317 432 G HA3 0.503 4.463 3.960 -0.000 0.000 0.317 432 G C -0.665 174.454 174.900 0.364 0.000 1.137 432 G CA -0.603 44.687 45.100 0.318 0.000 0.870 432 G HN 0.017 nan 8.290 nan 0.000 0.496 433 K N 0.673 121.220 120.400 0.245 0.000 2.258 433 K HA 0.404 4.724 4.320 -0.000 0.000 0.284 433 K C -1.159 175.490 176.600 0.081 0.000 1.051 433 K CA 0.009 56.410 56.287 0.190 0.000 0.923 433 K CB 1.069 33.620 32.500 0.086 0.000 1.046 433 K HN 0.357 nan 8.250 nan 0.000 0.474 434 F N 1.576 121.635 119.950 0.182 0.000 2.532 434 F HA 0.442 4.969 4.527 -0.000 0.000 0.321 434 F C -0.307 175.578 175.800 0.141 0.000 1.089 434 F CA -1.036 57.073 58.000 0.181 0.000 0.926 434 F CB 1.798 40.897 39.000 0.165 0.000 1.168 434 F HN 0.052 nan 8.300 nan 0.000 0.459 435 V N 2.219 122.296 119.914 0.271 0.000 2.709 435 V HA 0.844 4.964 4.120 -0.000 0.000 0.308 435 V C -0.715 175.504 176.094 0.207 0.000 1.062 435 V CA -0.891 61.524 62.300 0.190 0.000 0.901 435 V CB 1.752 33.630 31.823 0.092 0.000 1.003 435 V HN 0.874 nan 8.190 nan 0.000 0.425 436 A N 4.366 127.302 122.820 0.194 0.000 2.355 436 A HA 0.891 5.211 4.320 -0.000 0.000 0.317 436 A C -0.606 177.023 177.584 0.076 0.000 1.094 436 A CA -0.722 51.423 52.037 0.180 0.000 0.764 436 A CB 1.363 20.538 19.000 0.293 0.000 1.230 436 A HN 0.780 nan 8.150 nan 0.000 0.448 437 K N 0.225 120.664 120.400 0.065 0.000 2.385 437 K HA 0.814 5.134 4.320 -0.000 0.000 0.248 437 K C -1.030 175.596 176.600 0.044 0.000 0.955 437 K CA -0.651 55.652 56.287 0.026 0.000 0.816 437 K CB 2.694 35.199 32.500 0.008 0.000 1.250 437 K HN 1.006 nan 8.250 nan 0.000 0.434 438 A N 2.053 124.898 122.820 0.041 0.000 2.540 438 A HA 0.530 4.850 4.320 -0.000 0.000 0.297 438 A C -1.579 176.054 177.584 0.082 0.000 1.056 438 A CA -0.664 51.437 52.037 0.106 0.000 0.700 438 A CB 1.555 20.709 19.000 0.257 0.000 1.280 438 A HN 0.715 nan 8.150 nan 0.000 0.398 439 R N 1.998 122.470 120.500 -0.047 0.000 2.483 439 R HA 0.691 5.031 4.340 -0.000 0.000 0.303 439 R C -2.155 174.035 176.300 -0.182 0.000 0.987 439 R CA -0.316 55.762 56.100 -0.037 0.000 0.881 439 R CB 0.837 31.061 30.300 -0.126 0.000 1.177 439 R HN 0.587 nan 8.270 nan 0.000 0.451 440 F N 3.780 123.841 119.950 0.185 0.000 2.547 440 F HA 0.309 4.836 4.527 -0.000 0.000 0.316 440 F C -0.233 175.633 175.800 0.110 0.000 1.121 440 F CA -1.038 57.056 58.000 0.156 0.000 0.911 440 F CB 1.718 40.751 39.000 0.054 0.000 1.179 440 F HN 0.337 nan 8.300 nan 0.000 0.443 441 L N 3.481 124.749 121.223 0.075 0.000 2.559 441 L HA 0.253 4.593 4.340 -0.000 0.000 0.274 441 L C 0.510 177.255 176.870 -0.209 0.000 1.205 441 L CA 0.721 55.269 54.840 -0.487 0.000 0.907 441 L CB 0.305 42.073 42.059 -0.485 0.000 1.153 441 L HN 0.816 nan 8.230 nan 0.000 0.490 442 A N 3.962 126.630 122.820 -0.253 0.000 1.970 442 A HA 0.226 4.546 4.320 -0.000 0.000 0.204 442 A C 0.569 178.071 177.584 -0.138 0.000 1.325 442 A CA 0.128 52.092 52.037 -0.121 0.000 0.767 442 A CB -0.090 18.876 19.000 -0.056 0.000 0.949 442 A HN 0.662 nan 8.150 nan 0.000 0.481 443 E N -0.331 119.762 120.200 -0.178 0.000 2.145 443 E HA 0.650 5.000 4.350 -0.000 0.000 0.262 443 E C 0.587 177.062 176.600 -0.209 0.000 0.883 443 E CA 0.217 56.532 56.400 -0.142 0.000 0.748 443 E CB 1.365 31.013 29.700 -0.086 0.000 1.140 443 E HN 0.271 nan 8.360 nan 0.000 0.417 444 A N 4.175 126.879 122.820 -0.195 0.000 1.908 444 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 444 A C 1.669 179.090 177.584 -0.272 0.000 1.181 444 A CA 1.658 53.542 52.037 -0.255 0.000 0.627 444 A CB -1.446 17.442 19.000 -0.187 0.000 0.818 444 A HN 1.055 nan 8.150 nan 0.000 0.445 445 G N -0.768 107.948 108.800 -0.140 0.000 2.634 445 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.309 445 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.309 445 G C 1.001 175.883 174.900 -0.030 0.000 1.265 445 G CA 1.290 46.360 45.100 -0.049 0.000 0.998 445 G HN 1.345 nan 8.290 nan 0.000 0.551 446 W N 1.309 122.608 121.300 -0.001 0.000 2.387 446 W HA -0.012 4.648 4.660 -0.000 0.000 0.272 446 W C 2.060 178.581 176.519 0.003 0.000 1.224 446 W CA 1.214 58.560 57.345 0.002 0.000 1.210 446 W CB -0.695 28.759 29.460 -0.011 0.000 1.125 446 W HN 0.488 nan 8.180 nan 0.000 0.572 447 R N 0.643 120.640 120.500 -0.839 0.000 2.285 447 R HA -0.060 4.280 4.340 -0.000 0.000 0.213 447 R C 2.166 178.279 176.300 -0.312 0.000 1.068 447 R CA 1.678 57.287 56.100 -0.818 0.000 1.004 447 R CB -0.505 29.265 30.300 -0.882 0.000 0.873 447 R HN 0.132 nan 8.270 nan 0.000 0.467 448 T N 1.465 115.910 114.554 -0.182 0.000 2.849 448 T HA -0.082 4.268 4.350 -0.000 0.000 0.270 448 T C 1.664 176.355 174.700 -0.015 0.000 1.066 448 T CA 0.898 62.952 62.100 -0.076 0.000 1.130 448 T CB -0.012 68.838 68.868 -0.031 0.000 0.864 448 T HN 0.226 nan 8.240 nan 0.000 0.481 449 L N 0.128 121.370 121.223 0.031 0.000 2.492 449 L HA 0.235 4.575 4.340 -0.000 0.000 0.223 449 L C 0.840 177.756 176.870 0.078 0.000 1.132 449 L CA 0.182 55.072 54.840 0.084 0.000 0.850 449 L CB -0.563 41.584 42.059 0.147 0.000 0.966 449 L HN 0.235 nan 8.230 nan 0.000 0.454 450 L N -0.468 120.776 121.223 0.035 0.000 2.468 450 L HA 0.337 4.677 4.340 -0.000 0.000 0.254 450 L C 1.183 178.065 176.870 0.020 0.000 1.171 450 L CA -0.443 54.419 54.840 0.037 0.000 0.809 450 L CB 0.223 42.279 42.059 -0.005 0.000 1.155 450 L HN -0.040 nan 8.230 nan 0.000 0.473 451 G N -0.434 108.382 108.800 0.027 0.000 2.667 451 G HA2 0.154 4.114 3.960 -0.000 0.000 0.250 451 G HA3 0.154 4.114 3.960 -0.000 0.000 0.250 451 G C 0.901 175.801 174.900 -0.001 0.000 1.212 451 G CA 0.113 45.224 45.100 0.018 0.000 0.874 451 G HN 0.776 nan 8.290 nan 0.000 0.561 452 S N -0.434 115.266 115.700 0.001 0.000 2.406 452 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 452 S C 1.956 176.554 174.600 -0.004 0.000 1.020 452 S CA 1.136 59.332 58.200 -0.007 0.000 0.965 452 S CB -0.156 63.044 63.200 0.000 0.000 0.798 452 S HN 0.612 nan 8.310 nan 0.000 0.488 453 K N 1.354 121.755 120.400 0.003 0.000 2.026 453 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 453 K C 2.103 178.704 176.600 0.002 0.000 1.048 453 K CA 1.675 57.965 56.287 0.005 0.000 0.929 453 K CB -0.171 32.333 32.500 0.006 0.000 0.713 453 K HN 0.504 nan 8.250 nan 0.000 0.439 454 E N -0.137 120.062 120.200 -0.000 0.000 2.208 454 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 454 E C 2.094 178.682 176.600 -0.019 0.000 0.988 454 E CA 0.237 56.639 56.400 0.005 0.000 0.828 454 E CB 0.053 29.765 29.700 0.021 0.000 0.763 454 E HN 0.194 nan 8.360 nan 0.000 0.478 455 R N 1.263 121.734 120.500 -0.049 0.000 2.083 455 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 455 R C 0.728 176.990 176.300 -0.063 0.000 1.137 455 R CA 1.657 57.693 56.100 -0.107 0.000 0.951 455 R CB -0.001 30.236 30.300 -0.105 0.000 0.851 455 R HN 0.092 nan 8.270 nan 0.000 0.434 456 D N 0.193 120.581 120.400 -0.020 0.000 2.339 456 D HA -0.086 4.554 4.640 -0.000 0.000 0.217 456 D C 1.567 177.878 176.300 0.018 0.000 1.050 456 D CA 0.450 54.456 54.000 0.011 0.000 0.856 456 D CB 0.044 40.859 40.800 0.025 0.000 0.922 456 D HN 0.554 nan 8.370 nan 0.000 0.518 457 E N 1.305 121.515 120.200 0.016 0.000 2.219 457 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 457 E C 0.741 177.337 176.600 -0.007 0.000 0.998 457 E CA 1.039 57.443 56.400 0.008 0.000 0.818 457 E CB -0.001 29.709 29.700 0.016 0.000 0.741 457 E HN 0.096 nan 8.360 nan 0.000 0.477 458 E N 0.736 120.949 120.200 0.021 0.000 2.474 458 E HA 0.096 4.446 4.350 -0.000 0.000 0.195 458 E C -0.272 176.277 176.600 -0.086 0.000 1.039 458 E CA -0.105 56.267 56.400 -0.047 0.000 0.881 458 E CB -0.049 29.588 29.700 -0.105 0.000 0.970 458 E HN 0.240 nan 8.360 nan 0.000 0.486 459 N N 2.265 120.920 118.700 -0.075 0.000 2.492 459 N HA 0.114 4.854 4.740 -0.000 0.000 0.262 459 N C -0.620 174.650 175.510 -0.400 0.000 1.202 459 N CA 0.349 53.200 53.050 -0.332 0.000 0.926 459 N CB 0.695 38.953 38.487 -0.381 0.000 1.078 459 N HN 0.002 nan 8.380 nan 0.000 0.454 460 D N -0.152 119.912 120.400 -0.560 0.000 2.934 460 D HA 0.628 5.268 4.640 -0.000 0.000 0.230 460 D C 0.172 176.306 176.300 -0.276 0.000 1.204 460 D CA -0.089 53.720 54.000 -0.318 0.000 0.873 460 D CB 1.060 41.741 40.800 -0.199 0.000 1.645 460 D HN 0.620 nan 8.370 nan 0.000 0.502 461 G N 1.546 110.294 108.800 -0.086 0.000 2.698 461 G HA2 0.094 4.054 3.960 -0.000 0.000 0.225 461 G HA3 0.094 4.054 3.960 -0.000 0.000 0.225 461 G C -0.299 174.744 174.900 0.238 0.000 1.345 461 G CA -0.273 44.868 45.100 0.069 0.000 0.871 461 G HN 1.068 nan 8.290 nan 0.000 0.540 462 T N -0.824 113.896 114.554 0.276 0.000 2.856 462 T HA 0.719 5.069 4.350 -0.000 0.000 0.283 462 T C -2.694 172.162 174.700 0.260 0.000 1.008 462 T CA -1.395 60.884 62.100 0.299 0.000 0.997 462 T CB 2.182 71.158 68.868 0.180 0.000 0.992 462 T HN 0.540 nan 8.240 nan 0.000 0.454 463 P HA 0.261 nan 4.420 nan 0.000 0.265 463 P C -0.821 176.463 177.300 -0.027 0.000 1.193 463 P CA -0.240 62.793 63.100 -0.111 0.000 0.765 463 P CB 0.319 31.789 31.700 -0.383 0.000 0.823 464 L N 5.286 126.486 121.223 -0.038 0.000 2.317 464 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 464 L C -1.557 175.258 176.870 -0.092 0.000 1.024 464 L CA -2.087 52.676 54.840 -0.127 0.000 0.810 464 L CB 1.168 43.108 42.059 -0.199 0.000 1.240 464 L HN 0.316 nan 8.230 nan 0.000 0.427 465 P HA 0.131 nan 4.420 nan 0.000 0.273 465 P C -0.923 176.359 177.300 -0.030 0.000 1.250 465 P CA -0.373 62.696 63.100 -0.051 0.000 0.793 465 P CB 0.959 32.653 31.700 -0.010 0.000 1.011 466 V N 1.187 121.056 119.914 -0.076 0.000 2.383 466 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 466 V C 0.715 176.603 176.094 -0.344 0.000 1.036 466 V CA -0.373 61.770 62.300 -0.260 0.000 0.889 466 V CB 0.860 32.557 31.823 -0.210 0.000 0.985 466 V HN 0.508 nan 8.190 nan 0.000 0.459 467 V N 1.808 121.366 119.914 -0.593 0.000 3.160 467 V HA 1.082 5.202 4.120 -0.000 0.000 0.310 467 V C -0.212 175.622 176.094 -0.433 0.000 1.181 467 V CA -0.901 61.201 62.300 -0.330 0.000 1.047 467 V CB 1.878 33.656 31.823 -0.074 0.000 1.068 467 V HN 1.047 nan 8.190 nan 0.000 0.441 468 A N 0.585 123.302 122.820 -0.172 0.000 2.413 468 A HA 0.724 5.044 4.320 -0.000 0.000 0.307 468 A C -0.236 177.355 177.584 0.013 0.000 1.087 468 A CA -0.997 50.987 52.037 -0.089 0.000 0.750 468 A CB 1.462 20.415 19.000 -0.078 0.000 1.296 468 A HN 1.002 nan 8.150 nan 0.000 0.423 469 K N 0.241 120.673 120.400 0.052 0.000 2.466 469 K HA 0.264 4.584 4.320 -0.000 0.000 0.278 469 K C 1.156 177.781 176.600 0.042 0.000 1.048 469 K CA 1.697 58.022 56.287 0.063 0.000 1.088 469 K CB -0.189 32.349 32.500 0.064 0.000 0.884 469 K HN 1.749 nan 8.250 nan 0.000 0.478 470 G N 3.329 112.157 108.800 0.047 0.000 2.195 470 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.224 470 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.224 470 G C -0.446 174.472 174.900 0.029 0.000 0.990 470 G CA -0.052 45.069 45.100 0.035 0.000 0.639 470 G HN 0.703 nan 8.290 nan 0.000 0.514 471 D N 1.259 121.677 120.400 0.031 0.000 2.389 471 D HA 0.337 4.977 4.640 -0.000 0.000 0.247 471 D C 0.325 176.645 176.300 0.034 0.000 1.128 471 D CA 0.202 54.217 54.000 0.025 0.000 0.884 471 D CB 0.947 41.758 40.800 0.020 0.000 1.194 471 D HN 0.237 nan 8.370 nan 0.000 0.441 472 E N 2.716 122.930 120.200 0.023 0.000 1.936 472 E HA 0.124 4.474 4.350 -0.000 0.000 0.267 472 E C -0.562 176.048 176.600 0.016 0.000 1.076 472 E CA -0.556 55.855 56.400 0.017 0.000 0.870 472 E CB 0.316 30.021 29.700 0.008 0.000 1.093 472 E HN 0.211 nan 8.360 nan 0.000 0.411 473 L N 2.889 124.125 121.223 0.022 0.000 2.448 473 L HA 0.432 4.772 4.340 -0.000 0.000 0.258 473 L C -0.045 176.811 176.870 -0.024 0.000 1.104 473 L CA -0.693 54.156 54.840 0.014 0.000 0.800 473 L CB 0.376 42.463 42.059 0.048 0.000 1.241 473 L HN 0.412 nan 8.230 nan 0.000 0.472 474 L N 0.353 121.547 121.223 -0.048 0.000 2.346 474 L HA 0.503 4.843 4.340 -0.000 0.000 0.274 474 L C -0.859 175.939 176.870 -0.119 0.000 1.007 474 L CA -0.280 54.516 54.840 -0.073 0.000 0.818 474 L CB 1.616 43.641 42.059 -0.056 0.000 1.284 474 L HN 0.659 nan 8.230 nan 0.000 0.424 475 C N 4.686 123.905 119.300 -0.135 0.000 2.246 475 C HA 0.379 4.839 4.460 -0.000 0.000 0.329 475 C C 1.332 176.251 174.990 -0.120 0.000 1.221 475 C CA -0.316 58.601 59.018 -0.168 0.000 1.697 475 C CB -0.543 27.059 27.740 -0.228 0.000 2.312 475 C HN 1.044 nan 8.230 nan 0.000 0.509 476 E N 2.561 122.703 120.200 -0.096 0.000 2.107 476 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 476 E C 0.319 176.868 176.600 -0.085 0.000 0.982 476 E CA 0.718 57.071 56.400 -0.078 0.000 0.809 476 E CB 0.267 29.928 29.700 -0.065 0.000 0.756 476 E HN 0.678 nan 8.360 nan 0.000 0.459 477 K N -0.449 119.904 120.400 -0.078 0.000 2.589 477 K HA 0.350 4.670 4.320 -0.000 0.000 0.265 477 K C -1.530 175.057 176.600 -0.022 0.000 0.935 477 K CA -0.308 55.925 56.287 -0.090 0.000 0.850 477 K CB 1.898 34.286 32.500 -0.186 0.000 1.372 477 K HN 0.102 nan 8.250 nan 0.000 0.420 478 G N 1.690 110.476 108.800 -0.022 0.000 2.432 478 G HA2 0.504 4.464 3.960 -0.000 0.000 0.331 478 G HA3 0.504 4.464 3.960 -0.000 0.000 0.331 478 G C -1.456 173.484 174.900 0.067 0.000 1.170 478 G CA -0.277 44.846 45.100 0.038 0.000 0.943 478 G HN 0.491 nan 8.290 nan 0.000 0.483 479 E N 0.702 120.984 120.200 0.135 0.000 2.263 479 E HA 0.366 4.716 4.350 -0.000 0.000 0.268 479 E C -1.034 175.639 176.600 0.122 0.000 0.884 479 E CA -0.603 55.872 56.400 0.126 0.000 0.766 479 E CB 2.558 32.390 29.700 0.219 0.000 1.196 479 E HN 0.222 nan 8.360 nan 0.000 0.416 480 V N 4.564 124.532 119.914 0.089 0.000 2.415 480 V HA 0.083 4.203 4.120 -0.000 0.000 0.267 480 V C 0.062 176.239 176.094 0.137 0.000 1.042 480 V CA -0.331 62.037 62.300 0.113 0.000 1.000 480 V CB 0.867 32.729 31.823 0.065 0.000 1.015 480 V HN 0.417 nan 8.190 nan 0.000 0.478 481 V N 5.875 125.883 119.914 0.157 0.000 2.368 481 V HA 0.217 4.337 4.120 -0.000 0.000 0.266 481 V C 0.513 176.652 176.094 0.076 0.000 1.045 481 V CA -0.546 61.816 62.300 0.103 0.000 0.899 481 V CB 0.620 32.491 31.823 0.081 0.000 1.006 481 V HN 0.860 nan 8.190 nan 0.000 0.470 482 E N 5.803 126.025 120.200 0.037 0.000 2.259 482 E HA 0.463 4.813 4.350 -0.000 0.000 0.281 482 E C -0.299 176.126 176.600 -0.292 0.000 1.037 482 E CA -0.312 56.044 56.400 -0.072 0.000 0.854 482 E CB 1.268 30.983 29.700 0.026 0.000 1.051 482 E HN 0.562 nan 8.360 nan 0.000 0.409 483 R N 2.094 122.218 120.500 -0.627 0.000 2.888 483 R HA 0.416 4.756 4.340 -0.000 0.000 0.266 483 R C -0.635 175.219 176.300 -0.742 0.000 1.020 483 R CA -0.854 54.778 56.100 -0.779 0.000 0.963 483 R CB 1.996 31.545 30.300 -1.252 0.000 1.197 483 R HN 0.437 nan 8.270 nan 0.000 0.481 484 Q N 0.855 120.404 119.800 -0.418 0.000 2.305 484 Q HA 0.250 4.590 4.340 -0.000 0.000 0.271 484 Q C -1.097 174.994 176.000 0.153 0.000 1.046 484 Q CA -0.597 55.144 55.803 -0.103 0.000 0.798 484 Q CB 2.466 31.172 28.738 -0.052 0.000 1.286 484 Q HN 0.745 nan 8.270 nan 0.000 0.435 485 T N 0.702 115.452 114.554 0.326 0.000 2.918 485 T HA 0.264 4.614 4.350 -0.000 0.000 0.302 485 T C -0.154 174.766 174.700 0.367 0.000 1.045 485 T CA -0.676 61.665 62.100 0.401 0.000 1.114 485 T CB 0.900 70.013 68.868 0.408 0.000 0.965 485 T HN 0.384 nan 8.240 nan 0.000 0.540 486 Q N 2.064 121.939 119.800 0.125 0.000 2.312 486 Q HA 0.412 4.752 4.340 -0.000 0.000 0.263 486 Q C -2.483 172.994 176.000 -0.871 0.000 0.995 486 Q CA -2.360 53.315 55.803 -0.213 0.000 0.853 486 Q CB 1.654 30.305 28.738 -0.144 0.000 1.300 486 Q HN 0.566 nan 8.270 nan 0.000 0.448 487 P HA 0.170 nan 4.420 nan 0.000 0.272 487 P C -2.324 174.588 177.300 -0.646 0.000 1.223 487 P CA -0.964 61.322 63.100 -1.357 0.000 0.784 487 P CB -0.281 30.901 31.700 -0.863 0.000 0.923 488 P HA 0.168 nan 4.420 nan 0.000 0.272 488 P C 0.030 177.095 177.300 -0.393 0.000 1.240 488 P CA -0.081 62.800 63.100 -0.365 0.000 0.791 488 P CB 0.706 32.216 31.700 -0.317 0.000 0.978 489 R N 0.586 120.900 120.500 -0.312 0.000 2.539 489 R HA 0.193 4.533 4.340 -0.000 0.000 0.275 489 R C 0.851 176.921 176.300 -0.383 0.000 1.077 489 R CA -0.516 55.411 56.100 -0.287 0.000 1.097 489 R CB 0.090 30.342 30.300 -0.080 0.000 1.018 489 R HN 0.602 nan 8.270 nan 0.000 0.483 490 H N 1.787 120.658 119.070 -0.332 0.000 2.929 490 H HA -0.050 4.506 4.556 -0.000 0.000 0.358 490 H C 0.423 175.732 175.328 -0.032 0.000 1.111 490 H CA 0.718 56.602 56.048 -0.274 0.000 1.409 490 H CB 0.309 29.838 29.762 -0.387 0.000 1.373 490 H HN 0.320 nan 8.280 nan 0.000 0.610 491 F N 0.547 120.601 119.950 0.173 0.000 2.586 491 F HA -0.012 4.515 4.527 -0.000 0.000 0.344 491 F C 1.539 177.488 175.800 0.247 0.000 1.188 491 F CA 0.488 58.588 58.000 0.166 0.000 1.359 491 F CB 0.548 39.598 39.000 0.084 0.000 1.129 491 F HN 0.482 nan 8.300 nan 0.000 0.609 492 T N -2.830 111.949 114.554 0.374 0.000 2.807 492 T HA 0.249 4.599 4.350 -0.000 0.000 0.277 492 T C 0.619 175.414 174.700 0.159 0.000 1.006 492 T CA -0.832 61.377 62.100 0.181 0.000 1.006 492 T CB 1.239 70.127 68.868 0.034 0.000 1.274 492 T HN 0.491 nan 8.240 nan 0.000 0.569 493 D N 0.357 120.801 120.400 0.074 0.000 2.123 493 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 493 D C 2.292 178.621 176.300 0.048 0.000 0.992 493 D CA 1.646 55.675 54.000 0.048 0.000 0.833 493 D CB -0.344 40.457 40.800 0.003 0.000 0.954 493 D HN 0.672 nan 8.370 nan 0.000 0.455 494 A N 1.196 124.043 122.820 0.044 0.000 1.845 494 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 494 A C 2.471 180.109 177.584 0.091 0.000 1.195 494 A CA 3.031 55.093 52.037 0.043 0.000 0.616 494 A CB -1.184 17.832 19.000 0.027 0.000 0.832 494 A HN 0.384 nan 8.150 nan 0.000 0.443 495 T N -2.208 112.441 114.554 0.159 0.000 2.867 495 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 495 T C 1.747 176.643 174.700 0.326 0.000 1.057 495 T CA 1.412 63.669 62.100 0.262 0.000 1.136 495 T CB -0.398 68.649 68.868 0.299 0.000 0.874 495 T HN 0.177 nan 8.240 nan 0.000 0.466 496 L N 0.527 121.882 121.223 0.219 0.000 2.027 496 L HA 0.257 4.597 4.340 -0.000 0.000 0.206 496 L C 2.360 179.159 176.870 -0.119 0.000 1.074 496 L CA 1.425 56.178 54.840 -0.145 0.000 0.745 496 L CB -1.001 40.931 42.059 -0.211 0.000 0.898 496 L HN 0.316 nan 8.230 nan 0.000 0.433 497 L N -1.346 119.859 121.223 -0.029 0.000 2.093 497 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 497 L C 2.688 179.557 176.870 -0.003 0.000 1.085 497 L CA 1.764 56.587 54.840 -0.029 0.000 0.755 497 L CB -0.503 41.545 42.059 -0.017 0.000 0.904 497 L HN 0.422 nan 8.230 nan 0.000 0.435 498 S N -0.862 114.864 115.700 0.044 0.000 2.382 498 S HA -0.187 4.283 4.470 -0.000 0.000 0.228 498 S C 2.101 176.770 174.600 0.115 0.000 1.027 498 S CA 1.192 59.441 58.200 0.081 0.000 0.991 498 S CB -0.301 62.967 63.200 0.113 0.000 0.823 498 S HN 0.597 nan 8.310 nan 0.000 0.469 499 A N 0.958 123.842 122.820 0.106 0.000 1.969 499 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 499 A C 2.182 179.733 177.584 -0.056 0.000 1.169 499 A CA 1.380 53.468 52.037 0.084 0.000 0.635 499 A CB -0.524 18.386 19.000 -0.150 0.000 0.810 499 A HN 0.634 nan 8.150 nan 0.000 0.445 500 M N -1.762 117.780 119.600 -0.098 0.000 2.123 500 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 500 M C 2.376 178.658 176.300 -0.030 0.000 1.069 500 M CA 1.889 57.129 55.300 -0.099 0.000 1.133 500 M CB -0.453 32.086 32.600 -0.102 0.000 1.356 500 M HN 0.394 nan 8.290 nan 0.000 0.415 501 T N -0.399 114.154 114.554 -0.001 0.000 2.942 501 T HA 0.019 4.369 4.350 -0.000 0.000 0.265 501 T C 1.297 176.024 174.700 0.045 0.000 1.062 501 T CA 1.291 63.402 62.100 0.018 0.000 1.139 501 T CB -0.227 68.651 68.868 0.017 0.000 0.883 501 T HN 0.534 nan 8.240 nan 0.000 0.468 502 G N 0.819 109.667 108.800 0.081 0.000 3.949 502 G HA2 0.254 4.214 3.960 -0.000 0.000 0.295 502 G HA3 0.254 4.214 3.960 -0.000 0.000 0.295 502 G C 0.944 175.960 174.900 0.194 0.000 1.286 502 G CA -0.345 44.826 45.100 0.118 0.000 1.171 502 G HN 0.415 nan 8.290 nan 0.000 0.586 503 I N 1.358 122.009 120.570 0.135 0.000 2.530 503 I HA -0.123 4.047 4.170 -0.000 0.000 0.257 503 I C 2.686 178.932 176.117 0.214 0.000 1.179 503 I CA 1.047 62.444 61.300 0.162 0.000 1.440 503 I CB 0.062 38.077 38.000 0.024 0.000 1.087 503 I HN 0.270 nan 8.210 nan 0.000 0.440 504 A N 0.358 123.253 122.820 0.125 0.000 1.986 504 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 504 A C 2.392 180.018 177.584 0.071 0.000 1.171 504 A CA 1.702 53.785 52.037 0.077 0.000 0.640 504 A CB -0.668 18.353 19.000 0.036 0.000 0.811 504 A HN 0.486 nan 8.150 nan 0.000 0.451 505 R N -1.782 118.764 120.500 0.077 0.000 2.193 505 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 505 R C 0.639 176.777 176.300 -0.270 0.000 1.110 505 R CA 1.359 57.379 56.100 -0.133 0.000 0.988 505 R CB -0.309 29.836 30.300 -0.258 0.000 0.871 505 R HN 0.610 nan 8.270 nan 0.000 0.458 506 F N -0.518 119.439 119.950 0.011 0.000 2.664 506 F HA 0.190 4.717 4.527 -0.000 0.000 0.303 506 F C 0.350 176.153 175.800 0.005 0.000 1.092 506 F CA -0.284 57.726 58.000 0.016 0.000 1.305 506 F CB 0.604 39.624 39.000 0.034 0.000 1.054 506 F HN -0.311 nan 8.300 nan 0.000 0.565 507 V N 1.122 121.114 119.914 0.130 0.000 2.483 507 V HA 0.189 4.309 4.120 -0.000 0.000 0.295 507 V C 0.742 176.850 176.094 0.023 0.000 1.035 507 V CA -0.665 61.674 62.300 0.066 0.000 0.896 507 V CB 1.912 33.759 31.823 0.039 0.000 0.986 507 V HN 0.083 nan 8.190 nan 0.000 0.447 508 Q N 1.193 121.004 119.800 0.017 0.000 2.062 508 Q HA -0.026 4.314 4.340 -0.000 0.000 0.196 508 Q C 0.806 176.803 176.000 -0.005 0.000 0.967 508 Q CA 0.676 56.480 55.803 0.002 0.000 0.832 508 Q CB -0.107 28.635 28.738 0.007 0.000 0.899 508 Q HN 0.860 nan 8.270 nan 0.000 0.442 509 D N 1.746 122.145 120.400 -0.003 0.000 2.434 509 D HA -0.051 4.589 4.640 -0.000 0.000 0.252 509 D C 0.682 176.972 176.300 -0.017 0.000 1.185 509 D CA 0.341 54.336 54.000 -0.008 0.000 0.886 509 D CB 0.780 41.575 40.800 -0.008 0.000 1.148 509 D HN -0.008 nan 8.370 nan 0.000 0.483 510 K N 2.975 123.367 120.400 -0.014 0.000 2.097 510 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 510 K C 1.096 177.686 176.600 -0.017 0.000 1.050 510 K CA 0.883 57.160 56.287 -0.015 0.000 0.938 510 K CB 0.181 32.673 32.500 -0.013 0.000 0.718 510 K HN 0.504 nan 8.250 nan 0.000 0.442 511 D N 1.301 121.691 120.400 -0.017 0.000 2.144 511 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 511 D C 2.032 178.308 176.300 -0.040 0.000 0.984 511 D CA 0.980 54.967 54.000 -0.020 0.000 0.834 511 D CB -0.056 40.737 40.800 -0.011 0.000 0.955 511 D HN 0.173 nan 8.370 nan 0.000 0.465 512 L N 0.629 121.815 121.223 -0.061 0.000 2.072 512 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 512 L C 2.440 179.279 176.870 -0.052 0.000 1.079 512 L CA 0.849 55.633 54.840 -0.093 0.000 0.752 512 L CB -0.310 41.668 42.059 -0.134 0.000 0.906 512 L HN -0.063 nan 8.230 nan 0.000 0.436 513 K N 0.664 121.046 120.400 -0.030 0.000 2.034 513 K HA -0.284 4.036 4.320 -0.000 0.000 0.214 513 K C 2.162 178.756 176.600 -0.011 0.000 1.051 513 K CA 1.858 58.136 56.287 -0.014 0.000 0.931 513 K CB -0.212 32.281 32.500 -0.012 0.000 0.715 513 K HN 0.136 nan 8.250 nan 0.000 0.446 514 K N 1.068 121.460 120.400 -0.013 0.000 2.044 514 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 514 K C 2.080 178.677 176.600 -0.005 0.000 1.049 514 K CA 1.612 57.894 56.287 -0.008 0.000 0.927 514 K CB -0.152 32.343 32.500 -0.008 0.000 0.713 514 K HN 0.077 nan 8.250 nan 0.000 0.443 515 I N 0.900 121.464 120.570 -0.012 0.000 2.179 515 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 515 I C 2.181 178.298 176.117 -0.001 0.000 1.088 515 I CA 1.161 62.457 61.300 -0.006 0.000 1.357 515 I CB -0.184 37.806 38.000 -0.017 0.000 1.051 515 I HN 0.180 nan 8.210 nan 0.000 0.409 516 L N 0.013 121.231 121.223 -0.008 0.000 2.083 516 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 516 L C 2.761 179.638 176.870 0.012 0.000 1.083 516 L CA 1.299 56.139 54.840 -0.000 0.000 0.752 516 L CB -0.570 41.488 42.059 -0.003 0.000 0.899 516 L HN 0.165 nan 8.230 nan 0.000 0.433 517 R N -0.017 120.490 120.500 0.012 0.000 2.096 517 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 517 R C 2.172 178.484 176.300 0.020 0.000 1.127 517 R CA 1.371 57.481 56.100 0.018 0.000 0.968 517 R CB -0.419 29.889 30.300 0.013 0.000 0.861 517 R HN 0.334 nan 8.270 nan 0.000 0.440 518 A N 0.621 123.451 122.820 0.017 0.000 2.208 518 A HA -0.032 4.288 4.320 -0.000 0.000 0.209 518 A C 1.366 178.965 177.584 0.025 0.000 1.161 518 A CA 1.117 53.165 52.037 0.018 0.000 0.782 518 A CB 0.012 19.020 19.000 0.013 0.000 0.816 518 A HN 0.398 nan 8.150 nan 0.000 0.477 519 T N -4.475 110.094 114.554 0.026 0.000 3.288 519 T HA 0.345 4.695 4.350 -0.000 0.000 0.293 519 T C -0.002 174.718 174.700 0.033 0.000 1.008 519 T CA 0.505 62.624 62.100 0.032 0.000 0.929 519 T CB 0.022 68.910 68.868 0.035 0.000 1.152 519 T HN 0.281 nan 8.240 nan 0.000 0.517 520 D N 0.702 121.121 120.400 0.031 0.000 2.907 520 D HA -0.088 4.552 4.640 -0.000 0.000 0.226 520 D C 1.052 177.365 176.300 0.022 0.000 1.141 520 D CA 1.732 55.751 54.000 0.031 0.000 0.779 520 D CB -1.391 39.431 40.800 0.038 0.000 1.095 520 D HN 1.134 nan 8.370 nan 0.000 0.430 521 G N -1.146 107.665 108.800 0.018 0.000 2.574 521 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.282 521 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.282 521 G C 0.081 174.976 174.900 -0.009 0.000 1.257 521 G CA -0.005 45.099 45.100 0.007 0.000 0.956 521 G HN 0.690 nan 8.290 nan 0.000 0.560 522 L N 2.048 123.256 121.223 -0.025 0.000 2.331 522 L HA 0.536 4.876 4.340 -0.000 0.000 0.278 522 L C 1.418 178.272 176.870 -0.028 0.000 1.106 522 L CA 0.857 55.671 54.840 -0.043 0.000 0.824 522 L CB 0.394 42.410 42.059 -0.071 0.000 1.142 522 L HN 2.180 nan 8.230 nan 0.000 0.443 523 G N 2.638 111.427 108.800 -0.018 0.000 2.750 523 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.228 523 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.228 523 G C -0.280 174.628 174.900 0.015 0.000 1.367 523 G CA -0.237 44.864 45.100 0.001 0.000 0.871 523 G HN 0.887 nan 8.290 nan 0.000 0.560 524 T N -3.842 110.724 114.554 0.020 0.000 2.804 524 T HA 0.728 5.078 4.350 -0.000 0.000 0.290 524 T C 0.888 175.593 174.700 0.009 0.000 1.099 524 T CA 0.429 62.545 62.100 0.027 0.000 1.011 524 T CB 1.972 70.869 68.868 0.048 0.000 1.291 524 T HN 0.528 nan 8.240 nan 0.000 0.523 525 E N 0.427 120.629 120.200 0.002 0.000 2.110 525 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 525 E C 2.265 178.838 176.600 -0.044 0.000 0.988 525 E CA 1.578 57.957 56.400 -0.034 0.000 0.804 525 E CB -0.828 28.837 29.700 -0.058 0.000 0.745 525 E HN 0.785 nan 8.360 nan 0.000 0.458 526 A N 0.806 123.617 122.820 -0.015 0.000 2.066 526 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 526 A C 2.236 179.826 177.584 0.010 0.000 1.157 526 A CA 1.956 53.991 52.037 -0.004 0.000 0.670 526 A CB -0.342 18.677 19.000 0.033 0.000 0.804 526 A HN 0.372 nan 8.150 nan 0.000 0.453 527 T N -4.730 109.834 114.554 0.016 0.000 2.978 527 T HA 0.169 4.519 4.350 -0.000 0.000 0.248 527 T C 1.846 176.554 174.700 0.013 0.000 1.018 527 T CA 0.230 62.345 62.100 0.024 0.000 1.026 527 T CB -0.136 68.756 68.868 0.040 0.000 1.032 527 T HN 0.345 nan 8.240 nan 0.000 0.485 528 R N 1.217 121.716 120.500 -0.000 0.000 2.083 528 R HA 0.086 4.426 4.340 -0.000 0.000 0.237 528 R C 2.837 179.134 176.300 -0.006 0.000 1.137 528 R CA 1.565 57.660 56.100 -0.008 0.000 0.951 528 R CB -0.631 29.657 30.300 -0.019 0.000 0.851 528 R HN 0.517 nan 8.270 nan 0.000 0.434 529 A N 0.464 123.277 122.820 -0.012 0.000 1.877 529 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 529 A C 2.377 179.964 177.584 0.006 0.000 1.186 529 A CA 1.806 53.836 52.037 -0.012 0.000 0.620 529 A CB -1.206 17.777 19.000 -0.028 0.000 0.822 529 A HN 0.490 nan 8.150 nan 0.000 0.443 530 G N 0.118 108.924 108.800 0.010 0.000 2.440 530 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 530 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 530 G C 1.432 176.355 174.900 0.039 0.000 1.154 530 G CA 1.176 46.291 45.100 0.024 0.000 0.767 530 G HN 0.383 nan 8.290 nan 0.000 0.552 531 I N 0.930 121.521 120.570 0.036 0.000 2.179 531 I HA -0.129 4.041 4.170 -0.000 0.000 0.242 531 I C 2.844 178.999 176.117 0.063 0.000 1.088 531 I CA 1.050 62.376 61.300 0.042 0.000 1.357 531 I CB -0.924 37.090 38.000 0.024 0.000 1.051 531 I HN 0.191 nan 8.210 nan 0.000 0.409 532 I N 0.637 121.247 120.570 0.067 0.000 2.163 532 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 532 I C 2.567 178.824 176.117 0.234 0.000 1.085 532 I CA 1.324 62.705 61.300 0.135 0.000 1.347 532 I CB -0.404 37.661 38.000 0.108 0.000 1.044 532 I HN 0.219 nan 8.210 nan 0.000 0.408 533 E N 0.408 120.689 120.200 0.136 0.000 2.110 533 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 533 E C 2.108 178.794 176.600 0.144 0.000 0.988 533 E CA 1.080 57.557 56.400 0.128 0.000 0.804 533 E CB -0.448 29.274 29.700 0.036 0.000 0.745 533 E HN 0.323 nan 8.360 nan 0.000 0.458 534 L N 0.861 122.139 121.223 0.092 0.000 2.017 534 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 534 L C 2.291 179.172 176.870 0.019 0.000 1.073 534 L CA 1.389 56.258 54.840 0.049 0.000 0.745 534 L CB -0.652 41.434 42.059 0.044 0.000 0.894 534 L HN 0.075 nan 8.230 nan 0.000 0.432 535 L N -1.890 119.367 121.223 0.055 0.000 2.127 535 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 535 L C 2.382 179.185 176.870 -0.112 0.000 1.089 535 L CA 1.290 56.132 54.840 0.003 0.000 0.757 535 L CB -0.597 41.481 42.059 0.031 0.000 0.899 535 L HN 0.205 nan 8.230 nan 0.000 0.434 536 F N 0.275 120.211 119.950 -0.024 0.000 2.098 536 F HA -0.200 4.327 4.527 -0.000 0.000 0.294 536 F C 2.675 178.436 175.800 -0.065 0.000 1.107 536 F CA 1.590 59.575 58.000 -0.024 0.000 1.234 536 F CB -0.358 38.637 39.000 -0.008 0.000 1.002 536 F HN -0.090 nan 8.300 nan 0.000 0.472 537 K N 0.242 120.706 120.400 0.107 0.000 2.113 537 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 537 K C 2.076 178.609 176.600 -0.111 0.000 1.047 537 K CA 1.373 57.663 56.287 0.005 0.000 0.928 537 K CB -0.019 32.481 32.500 -0.000 0.000 0.716 537 K HN -0.045 nan 8.250 nan 0.000 0.446 538 R N -0.732 119.610 120.500 -0.263 0.000 2.280 538 R HA -0.004 4.336 4.340 -0.000 0.000 0.207 538 R C 1.186 177.176 176.300 -0.518 0.000 1.043 538 R CA 1.023 56.787 56.100 -0.560 0.000 1.006 538 R CB -0.279 29.288 30.300 -1.222 0.000 0.885 538 R HN 0.607 nan 8.270 nan 0.000 0.467 539 G N 0.196 108.838 108.800 -0.263 0.000 2.143 539 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 539 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 539 G C 0.686 175.625 174.900 0.065 0.000 0.991 539 G CA 0.230 45.291 45.100 -0.065 0.000 0.689 539 G HN 0.442 nan 8.290 nan 0.000 0.522 540 F N -0.424 119.495 119.950 -0.051 0.000 2.473 540 F HA 0.406 4.933 4.527 -0.000 0.000 0.294 540 F C 1.527 177.217 175.800 -0.184 0.000 1.103 540 F CA 0.079 58.027 58.000 -0.086 0.000 1.442 540 F CB 0.198 39.154 39.000 -0.073 0.000 1.097 540 F HN 0.077 nan 8.300 nan 0.000 0.547 541 L N -0.563 120.531 121.223 -0.216 0.000 2.323 541 L HA 0.567 4.907 4.340 -0.000 0.000 0.265 541 L C -0.264 176.281 176.870 -0.542 0.000 1.012 541 L CA -0.544 53.995 54.840 -0.501 0.000 0.820 541 L CB 2.275 43.744 42.059 -0.983 0.000 1.334 541 L HN -0.311 nan 8.230 nan 0.000 0.427 542 T N 0.536 114.951 114.554 -0.231 0.000 2.883 542 T HA 0.381 4.731 4.350 -0.000 0.000 0.301 542 T C -1.254 173.628 174.700 0.304 0.000 1.158 542 T CA -0.665 61.496 62.100 0.102 0.000 1.007 542 T CB 1.764 70.674 68.868 0.071 0.000 1.186 542 T HN 0.318 nan 8.240 nan 0.000 0.499 543 K N 3.069 123.688 120.400 0.365 0.000 2.235 543 K HA 0.430 4.750 4.320 -0.000 0.000 0.266 543 K C 0.363 177.023 176.600 0.100 0.000 0.980 543 K CA -0.715 55.730 56.287 0.265 0.000 0.849 543 K CB 1.694 34.305 32.500 0.184 0.000 1.098 543 K HN 0.487 nan 8.250 nan 0.000 0.445 544 K N 1.076 121.508 120.400 0.054 0.000 2.157 544 K HA 0.119 4.439 4.320 -0.000 0.000 0.207 544 K C 1.434 178.055 176.600 0.035 0.000 1.030 544 K CA 0.838 57.097 56.287 -0.047 0.000 0.965 544 K CB 0.084 32.441 32.500 -0.239 0.000 0.877 544 K HN 0.730 nan 8.250 nan 0.000 0.460 545 G N 1.054 109.916 108.800 0.104 0.000 2.667 545 G HA2 0.005 3.965 3.960 -0.000 0.000 0.209 545 G HA3 0.005 3.965 3.960 -0.000 0.000 0.209 545 G C 0.888 175.788 174.900 -0.001 0.000 1.963 545 G CA -0.047 45.090 45.100 0.060 0.000 0.728 545 G HN 0.225 nan 8.290 nan 0.000 0.807 546 R N -0.388 120.037 120.500 -0.125 0.000 2.313 546 R HA 0.248 4.588 4.340 -0.000 0.000 0.199 546 R C -0.430 175.710 176.300 -0.267 0.000 0.958 546 R CA -0.058 55.898 56.100 -0.241 0.000 1.047 546 R CB -0.378 29.705 30.300 -0.360 0.000 0.955 546 R HN 0.354 nan 8.270 nan 0.000 0.481 547 Y N 1.176 121.561 120.300 0.142 0.000 2.310 547 Y HA 0.378 4.928 4.550 -0.000 0.000 0.326 547 Y C 0.422 176.506 175.900 0.308 0.000 1.151 547 Y CA -1.113 57.121 58.100 0.223 0.000 1.195 547 Y CB 1.261 39.882 38.460 0.268 0.000 1.210 547 Y HN -0.123 nan 8.280 nan 0.000 0.483 548 I N 4.385 125.239 120.570 0.473 0.000 2.304 548 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 548 I C -0.150 176.175 176.117 0.346 0.000 1.018 548 I CA -0.237 61.312 61.300 0.416 0.000 1.260 548 I CB 0.321 38.532 38.000 0.353 0.000 1.390 548 I HN 0.610 nan 8.210 nan 0.000 0.475 549 H N 3.568 122.697 119.070 0.098 0.000 2.621 549 H HA 0.370 4.926 4.556 -0.000 0.000 0.360 549 H C -0.170 175.149 175.328 -0.016 0.000 1.163 549 H CA -0.812 55.255 56.048 0.031 0.000 1.194 549 H CB 2.351 32.084 29.762 -0.048 0.000 1.649 549 H HN 0.572 nan 8.280 nan 0.000 0.532 550 S N 1.014 116.767 115.700 0.088 0.000 2.610 550 S HA 0.236 4.706 4.470 -0.000 0.000 0.273 550 S C 0.538 175.171 174.600 0.055 0.000 1.274 550 S CA -0.779 57.432 58.200 0.019 0.000 1.023 550 S CB 1.392 64.568 63.200 -0.040 0.000 0.962 550 S HN 0.710 nan 8.310 nan 0.000 0.523 551 T N -0.584 114.001 114.554 0.051 0.000 2.897 551 T HA 0.379 4.729 4.350 -0.000 0.000 0.278 551 T C 0.381 175.127 174.700 0.077 0.000 0.981 551 T CA -0.642 61.504 62.100 0.077 0.000 0.973 551 T CB 0.439 69.370 68.868 0.105 0.000 1.092 551 T HN 0.493 nan 8.240 nan 0.000 0.543 552 D N 0.522 120.975 120.400 0.088 0.000 2.149 552 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 552 D C 2.288 178.641 176.300 0.089 0.000 0.990 552 D CA 1.629 55.681 54.000 0.086 0.000 0.839 552 D CB -0.673 40.180 40.800 0.088 0.000 0.948 552 D HN 0.723 nan 8.370 nan 0.000 0.460 553 A N 0.798 123.697 122.820 0.132 0.000 1.898 553 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 553 A C 2.391 179.964 177.584 -0.019 0.000 1.181 553 A CA 1.974 54.085 52.037 0.123 0.000 0.620 553 A CB -1.028 18.158 19.000 0.310 0.000 0.819 553 A HN 0.295 nan 8.150 nan 0.000 0.442 554 G N -0.048 108.764 108.800 0.020 0.000 2.446 554 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 554 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 554 G C 1.673 176.475 174.900 -0.163 0.000 1.168 554 G CA 1.152 46.140 45.100 -0.186 0.000 0.771 554 G HN 0.578 nan 8.290 nan 0.000 0.551 555 K N 0.609 120.977 120.400 -0.054 0.000 2.057 555 K HA 0.037 4.357 4.320 -0.000 0.000 0.207 555 K C 2.939 179.591 176.600 0.086 0.000 1.049 555 K CA 1.015 57.301 56.287 -0.001 0.000 0.931 555 K CB -0.216 32.334 32.500 0.084 0.000 0.714 555 K HN 0.282 nan 8.250 nan 0.000 0.440 556 A N 1.496 124.344 122.820 0.047 0.000 1.898 556 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 556 A C 2.112 179.690 177.584 -0.010 0.000 1.181 556 A CA 1.010 53.060 52.037 0.022 0.000 0.620 556 A CB -0.538 18.468 19.000 0.010 0.000 0.819 556 A HN 0.213 nan 8.150 nan 0.000 0.442 557 L N -1.126 120.065 121.223 -0.053 0.000 1.989 557 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 557 L C 2.223 179.013 176.870 -0.133 0.000 1.071 557 L CA 2.519 57.300 54.840 -0.097 0.000 0.749 557 L CB -0.959 40.835 42.059 -0.442 0.000 0.890 557 L HN 0.462 nan 8.230 nan 0.000 0.431 558 F N -0.195 119.568 119.950 -0.312 0.000 2.065 558 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 558 F C 2.579 178.189 175.800 -0.317 0.000 1.112 558 F CA 2.233 60.023 58.000 -0.349 0.000 1.212 558 F CB -0.448 38.294 39.000 -0.431 0.000 0.975 558 F HN 0.298 nan 8.300 nan 0.000 0.476 559 H N -0.643 118.439 119.070 0.021 0.000 2.495 559 H HA -0.030 4.526 4.556 -0.000 0.000 0.287 559 H C 2.506 177.730 175.328 -0.173 0.000 1.033 559 H CA 1.280 57.279 56.048 -0.082 0.000 1.307 559 H CB -0.599 29.172 29.762 0.016 0.000 1.401 559 H HN 0.398 nan 8.280 nan 0.000 0.555 560 S N 0.109 115.760 115.700 -0.082 0.000 2.522 560 S HA 0.042 4.511 4.470 -0.000 0.000 0.227 560 S C 0.967 175.560 174.600 -0.012 0.000 0.986 560 S CA -0.064 58.105 58.200 -0.053 0.000 0.929 560 S CB -0.220 62.985 63.200 0.008 0.000 0.769 560 S HN 0.091 nan 8.310 nan 0.000 0.529 561 L N 2.611 123.717 121.223 -0.195 0.000 2.343 561 L HA 0.498 4.838 4.340 -0.000 0.000 0.275 561 L C -2.125 174.604 176.870 -0.235 0.000 1.056 561 L CA -2.681 51.994 54.840 -0.274 0.000 0.804 561 L CB 1.036 42.830 42.059 -0.443 0.000 1.203 561 L HN 0.071 nan 8.230 nan 0.000 0.440 562 P HA 0.035 nan 4.420 nan 0.000 0.272 562 P C 0.168 177.364 177.300 -0.174 0.000 1.223 562 P CA -0.228 62.802 63.100 -0.117 0.000 0.784 562 P CB 0.810 32.485 31.700 -0.041 0.000 0.923 563 E N 0.775 120.886 120.200 -0.148 0.000 2.114 563 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 563 E C 1.688 178.227 176.600 -0.101 0.000 1.008 563 E CA 1.422 57.737 56.400 -0.142 0.000 0.810 563 E CB -0.140 29.515 29.700 -0.074 0.000 0.739 563 E HN 0.488 nan 8.360 nan 0.000 0.456 564 M N 0.031 119.594 119.600 -0.062 0.000 2.149 564 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 564 M C 2.139 178.413 176.300 -0.044 0.000 1.064 564 M CA 1.760 57.039 55.300 -0.036 0.000 1.102 564 M CB -0.056 32.541 32.600 -0.006 0.000 1.369 564 M HN 0.088 nan 8.290 nan 0.000 0.408 565 A N -0.712 122.082 122.820 -0.043 0.000 2.067 565 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 565 A C 1.917 179.457 177.584 -0.074 0.000 1.156 565 A CA 1.680 53.712 52.037 -0.008 0.000 0.683 565 A CB -0.819 18.159 19.000 -0.036 0.000 0.808 565 A HN 0.678 nan 8.150 nan 0.000 0.455 566 T N -3.302 111.176 114.554 -0.127 0.000 3.060 566 T HA 0.281 4.631 4.350 -0.000 0.000 0.249 566 T C 0.832 175.524 174.700 -0.013 0.000 1.079 566 T CA -0.359 61.686 62.100 -0.091 0.000 1.013 566 T CB 0.058 68.779 68.868 -0.245 0.000 0.975 566 T HN 0.317 nan 8.240 nan 0.000 0.518 567 R N 1.475 121.951 120.500 -0.039 0.000 2.758 567 R HA 0.399 4.739 4.340 -0.000 0.000 0.265 567 R C -2.142 174.121 176.300 -0.061 0.000 1.016 567 R CA -2.212 53.875 56.100 -0.021 0.000 1.040 567 R CB 0.981 31.280 30.300 -0.003 0.000 1.152 567 R HN -0.011 nan 8.270 nan 0.000 0.503 568 P HA 0.087 nan 4.420 nan 0.000 0.255 568 P C -0.316 176.924 177.300 -0.100 0.000 1.248 568 P CA 0.407 63.451 63.100 -0.093 0.000 0.807 568 P CB 0.325 31.984 31.700 -0.069 0.000 1.150 569 D N 0.070 120.433 120.400 -0.062 0.000 2.133 569 D HA -0.205 4.435 4.640 -0.000 0.000 0.192 569 D C 1.953 178.230 176.300 -0.037 0.000 1.001 569 D CA 1.264 55.234 54.000 -0.051 0.000 0.844 569 D CB -0.724 40.099 40.800 0.037 0.000 0.944 569 D HN 0.100 nan 8.370 nan 0.000 0.447 570 M N 0.232 119.790 119.600 -0.069 0.000 2.144 570 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 570 M C 1.672 177.756 176.300 -0.360 0.000 1.067 570 M CA 1.475 56.679 55.300 -0.161 0.000 1.095 570 M CB -0.170 32.205 32.600 -0.374 0.000 1.365 570 M HN 0.012 nan 8.290 nan 0.000 0.406 571 T N 0.779 115.101 114.554 -0.386 0.000 2.746 571 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 571 T C 1.748 176.404 174.700 -0.074 0.000 1.039 571 T CA 1.501 63.416 62.100 -0.308 0.000 1.142 571 T CB -0.439 68.288 68.868 -0.236 0.000 0.866 571 T HN 0.608 nan 8.240 nan 0.000 0.444 572 A N 1.182 123.945 122.820 -0.095 0.000 1.877 572 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 572 A C 1.895 179.461 177.584 -0.031 0.000 1.186 572 A CA 1.950 53.933 52.037 -0.090 0.000 0.620 572 A CB -1.026 17.861 19.000 -0.188 0.000 0.822 572 A HN 0.649 nan 8.150 nan 0.000 0.443 573 H N -2.211 116.911 119.070 0.086 0.000 2.319 573 H HA -0.232 4.324 4.556 -0.000 0.000 0.297 573 H C 1.898 177.420 175.328 0.325 0.000 1.097 573 H CA 2.106 58.251 56.048 0.161 0.000 1.285 573 H CB -0.174 29.671 29.762 0.138 0.000 1.368 573 H HN 0.685 nan 8.280 nan 0.000 0.495 574 W N 1.469 122.888 121.300 0.199 0.000 2.333 574 W HA -0.133 4.527 4.660 -0.000 0.000 0.316 574 W C 2.378 179.040 176.519 0.239 0.000 1.215 574 W CA 0.858 58.404 57.345 0.336 0.000 1.278 574 W CB -0.733 28.915 29.460 0.313 0.000 1.154 574 W HN 0.220 nan 8.180 nan 0.000 0.486 575 E N -0.239 120.176 120.200 0.358 0.000 2.118 575 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 575 E C 2.207 178.889 176.600 0.137 0.000 0.992 575 E CA 1.641 58.154 56.400 0.187 0.000 0.804 575 E CB -1.079 28.690 29.700 0.116 0.000 0.741 575 E HN 0.194 nan 8.360 nan 0.000 0.458 576 S N 0.320 116.105 115.700 0.141 0.000 2.374 576 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 576 S C 2.123 176.794 174.600 0.119 0.000 1.037 576 S CA 1.472 59.738 58.200 0.109 0.000 1.024 576 S CB -0.066 63.198 63.200 0.107 0.000 0.861 576 S HN 0.083 nan 8.310 nan 0.000 0.456 577 V N 1.862 121.884 119.914 0.181 0.000 2.488 577 V HA -0.017 4.103 4.120 -0.000 0.000 0.246 577 V C 2.386 178.530 176.094 0.083 0.000 1.046 577 V CA 1.370 63.772 62.300 0.170 0.000 1.053 577 V CB -0.683 31.316 31.823 0.293 0.000 0.679 577 V HN 0.447 nan 8.190 nan 0.000 0.458 578 L N 0.004 121.250 121.223 0.038 0.000 2.013 578 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 578 L C 2.683 179.537 176.870 -0.026 0.000 1.073 578 L CA 2.158 56.942 54.840 -0.093 0.000 0.753 578 L CB -1.225 40.770 42.059 -0.106 0.000 0.890 578 L HN 0.357 nan 8.230 nan 0.000 0.432 579 T N -0.825 113.740 114.554 0.018 0.000 2.665 579 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 579 T C 1.874 176.585 174.700 0.019 0.000 1.035 579 T CA 1.668 63.780 62.100 0.021 0.000 1.151 579 T CB -0.294 68.592 68.868 0.031 0.000 0.862 579 T HN 0.410 nan 8.240 nan 0.000 0.438 580 Q N 0.018 119.833 119.800 0.025 0.000 2.170 580 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 580 Q C 2.350 178.363 176.000 0.023 0.000 0.976 580 Q CA 1.095 56.913 55.803 0.025 0.000 0.858 580 Q CB -0.353 28.403 28.738 0.030 0.000 0.907 580 Q HN 0.540 nan 8.270 nan 0.000 0.433 581 I N 0.527 121.096 120.570 -0.003 0.000 2.163 581 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 581 I C 2.498 178.655 176.117 0.066 0.000 1.081 581 I CA 1.336 62.628 61.300 -0.015 0.000 1.353 581 I CB -0.374 37.576 38.000 -0.083 0.000 1.054 581 I HN 0.216 nan 8.210 nan 0.000 0.407 582 S N -0.027 115.693 115.700 0.034 0.000 2.469 582 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 582 S C 1.498 176.114 174.600 0.026 0.000 0.998 582 S CA 1.025 59.248 58.200 0.038 0.000 0.957 582 S CB -0.419 62.795 63.200 0.022 0.000 0.764 582 S HN 0.503 nan 8.310 nan 0.000 0.514 583 E N 0.705 120.925 120.200 0.032 0.000 2.465 583 E HA 0.228 4.578 4.350 -0.000 0.000 0.195 583 E C -0.272 176.346 176.600 0.031 0.000 1.028 583 E CA -0.311 56.096 56.400 0.013 0.000 0.899 583 E CB 0.030 29.734 29.700 0.007 0.000 1.032 583 E HN 0.399 nan 8.360 nan 0.000 0.468 584 K N 0.092 120.556 120.400 0.107 0.000 3.088 584 K HA -0.294 4.026 4.320 -0.000 0.000 0.273 584 K C 0.631 177.317 176.600 0.142 0.000 1.111 584 K CA 0.581 56.976 56.287 0.179 0.000 0.803 584 K CB -1.072 31.395 32.500 -0.055 0.000 1.226 584 K HN 0.302 nan 8.250 nan 0.000 0.485 585 Q N -0.936 118.922 119.800 0.096 0.000 2.392 585 Q HA 0.051 4.391 4.340 -0.000 0.000 0.203 585 Q C 0.845 176.867 176.000 0.037 0.000 0.917 585 Q CA 0.966 56.801 55.803 0.053 0.000 0.939 585 Q CB 0.557 29.314 28.738 0.031 0.000 1.063 585 Q HN 0.629 nan 8.270 nan 0.000 0.516 586 C N -2.144 117.164 119.300 0.014 0.000 3.295 586 C HA 0.634 5.094 4.460 -0.000 0.000 0.341 586 C C -1.240 173.602 174.990 -0.246 0.000 1.418 586 C CA -1.371 57.610 59.018 -0.062 0.000 1.240 586 C CB 1.299 29.017 27.740 -0.036 0.000 1.562 586 C HN 0.163 nan 8.230 nan 0.000 0.457 587 R N -0.380 119.956 120.500 -0.273 0.000 2.691 587 R HA 0.437 4.777 4.340 -0.000 0.000 0.259 587 R C 0.685 176.854 176.300 -0.218 0.000 1.048 587 R CA -0.434 55.389 56.100 -0.461 0.000 1.086 587 R CB 0.605 30.629 30.300 -0.461 0.000 1.166 587 R HN 0.834 nan 8.270 nan 0.000 0.526 588 Y N 1.368 121.490 120.300 -0.297 0.000 2.069 588 Y HA -0.364 4.186 4.550 -0.000 0.000 0.278 588 Y C 2.300 178.241 175.900 0.067 0.000 1.175 588 Y CA 2.172 60.254 58.100 -0.031 0.000 1.134 588 Y CB 0.013 38.569 38.460 0.160 0.000 0.965 588 Y HN 0.528 nan 8.280 nan 0.000 0.498 589 Q N 0.582 120.531 119.800 0.248 0.000 2.291 589 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 589 Q C 1.409 177.406 176.000 -0.005 0.000 0.976 589 Q CA 1.967 57.850 55.803 0.133 0.000 0.875 589 Q CB -0.439 28.440 28.738 0.234 0.000 0.927 589 Q HN 0.580 nan 8.270 nan 0.000 0.450 590 D N -1.360 119.028 120.400 -0.020 0.000 2.264 590 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 590 D C 0.988 177.264 176.300 -0.041 0.000 0.966 590 D CA 0.662 54.642 54.000 -0.034 0.000 0.864 590 D CB -0.077 40.703 40.800 -0.033 0.000 0.933 590 D HN 0.321 nan 8.370 nan 0.000 0.499 591 F N -0.083 119.729 119.950 -0.229 0.000 2.262 591 F HA 0.037 4.564 4.527 -0.000 0.000 0.292 591 F C 1.960 177.560 175.800 -0.334 0.000 1.081 591 F CA 0.637 58.459 58.000 -0.296 0.000 1.355 591 F CB 0.100 38.878 39.000 -0.370 0.000 1.069 591 F HN -0.187 nan 8.300 nan 0.000 0.506 592 M N 0.264 119.703 119.600 -0.268 0.000 2.288 592 M HA -0.134 4.346 4.480 -0.000 0.000 0.266 592 M C 2.176 178.365 176.300 -0.185 0.000 1.072 592 M CA 1.212 56.348 55.300 -0.273 0.000 1.132 592 M CB -1.200 31.252 32.600 -0.247 0.000 1.386 592 M HN 0.358 nan 8.290 nan 0.000 0.432 593 Q N 0.773 120.491 119.800 -0.137 0.000 1.993 593 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 593 Q C -0.835 175.092 176.000 -0.121 0.000 0.984 593 Q CA 1.798 57.546 55.803 -0.091 0.000 0.837 593 Q CB -0.751 27.951 28.738 -0.059 0.000 0.902 593 Q HN 0.258 nan 8.270 nan 0.000 0.423 594 P HA -0.146 nan 4.420 nan 0.000 0.221 594 P C 1.455 178.646 177.300 -0.181 0.000 1.150 594 P CA 0.861 63.861 63.100 -0.166 0.000 0.800 594 P CB -0.056 31.526 31.700 -0.197 0.000 0.787 595 L N 0.056 121.092 121.223 -0.312 0.000 1.988 595 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 595 L C 2.531 179.379 176.870 -0.038 0.000 1.071 595 L CA 1.618 56.300 54.840 -0.264 0.000 0.744 595 L CB -1.116 40.622 42.059 -0.535 0.000 0.893 595 L HN -0.266 nan 8.230 nan 0.000 0.433 596 V N 0.375 120.282 119.914 -0.010 0.000 2.324 596 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 596 V C 2.582 178.787 176.094 0.186 0.000 1.060 596 V CA 1.981 64.359 62.300 0.131 0.000 1.042 596 V CB -1.612 30.291 31.823 0.132 0.000 0.650 596 V HN 0.700 nan 8.190 nan 0.000 0.450 597 G N -0.935 107.901 108.800 0.060 0.000 2.418 597 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 597 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 597 G C 1.699 176.659 174.900 0.100 0.000 1.158 597 G CA 1.513 46.640 45.100 0.044 0.000 0.771 597 G HN 0.472 nan 8.290 nan 0.000 0.545 598 T N 0.933 115.533 114.554 0.077 0.000 2.777 598 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 598 T C 2.243 177.029 174.700 0.143 0.000 1.040 598 T CA 1.084 63.238 62.100 0.090 0.000 1.141 598 T CB -0.200 68.709 68.868 0.069 0.000 0.868 598 T HN 0.134 nan 8.240 nan 0.000 0.444 599 L N 0.268 121.596 121.223 0.175 0.000 2.012 599 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 599 L C 2.060 178.977 176.870 0.080 0.000 1.073 599 L CA 1.787 56.716 54.840 0.148 0.000 0.748 599 L CB -0.913 41.234 42.059 0.147 0.000 0.891 599 L HN 0.240 nan 8.230 nan 0.000 0.431 600 Y N -0.283 120.028 120.300 0.019 0.000 2.165 600 Y HA -0.305 4.245 4.550 -0.000 0.000 0.286 600 Y C 2.904 178.804 175.900 -0.000 0.000 1.155 600 Y CA 2.282 60.382 58.100 -0.001 0.000 1.164 600 Y CB -0.413 38.045 38.460 -0.003 0.000 0.978 600 Y HN 0.379 nan 8.280 nan 0.000 0.513 601 Q N 0.416 120.322 119.800 0.176 0.000 2.079 601 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 601 Q C 2.210 178.251 176.000 0.068 0.000 0.974 601 Q CA 1.438 57.301 55.803 0.100 0.000 0.840 601 Q CB -0.349 28.435 28.738 0.076 0.000 0.898 601 Q HN 0.547 nan 8.270 nan 0.000 0.430 602 L N 0.361 121.628 121.223 0.073 0.000 2.056 602 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 602 L C 2.421 179.309 176.870 0.030 0.000 1.078 602 L CA 0.513 55.392 54.840 0.065 0.000 0.749 602 L CB -0.387 41.727 42.059 0.091 0.000 0.901 602 L HN 0.229 nan 8.230 nan 0.000 0.433 603 I N -0.233 120.325 120.570 -0.019 0.000 2.315 603 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 603 I C 2.154 178.231 176.117 -0.066 0.000 1.117 603 I CA 1.319 62.569 61.300 -0.084 0.000 1.404 603 I CB -1.114 36.783 38.000 -0.170 0.000 1.071 603 I HN 0.252 nan 8.210 nan 0.000 0.419 604 D N 0.716 121.105 120.400 -0.018 0.000 2.087 604 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 604 D C 2.265 178.558 176.300 -0.011 0.000 0.993 604 D CA 1.261 55.258 54.000 -0.005 0.000 0.828 604 D CB -0.181 40.635 40.800 0.026 0.000 0.968 604 D HN 0.377 nan 8.370 nan 0.000 0.448 605 Q N -0.174 119.630 119.800 0.007 0.000 2.112 605 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 605 Q C 2.135 178.134 176.000 -0.001 0.000 0.987 605 Q CA 1.523 57.336 55.803 0.016 0.000 0.858 605 Q CB -0.145 28.619 28.738 0.043 0.000 0.905 605 Q HN 0.250 nan 8.270 nan 0.000 0.420 606 A N 1.175 123.973 122.820 -0.037 0.000 1.930 606 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 606 A C 1.870 179.347 177.584 -0.177 0.000 1.175 606 A CA 1.355 53.284 52.037 -0.180 0.000 0.627 606 A CB -0.266 18.502 19.000 -0.386 0.000 0.815 606 A HN 0.177 nan 8.150 nan 0.000 0.443 607 K N -0.616 119.710 120.400 -0.123 0.000 2.280 607 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 607 K C 1.311 177.879 176.600 -0.053 0.000 1.047 607 K CA 1.059 57.292 56.287 -0.091 0.000 0.942 607 K CB -0.071 32.387 32.500 -0.069 0.000 0.739 607 K HN 0.378 nan 8.250 nan 0.000 0.457 608 R N 0.340 120.818 120.500 -0.036 0.000 2.466 608 R HA 0.099 4.439 4.340 -0.000 0.000 0.279 608 R C -0.338 175.958 176.300 -0.007 0.000 0.976 608 R CA 0.043 56.134 56.100 -0.016 0.000 1.081 608 R CB 0.798 31.093 30.300 -0.007 0.000 1.215 608 R HN -0.064 nan 8.270 nan 0.000 0.546 609 T N 3.068 117.616 114.554 -0.010 0.000 2.799 609 T HA 0.285 4.635 4.350 -0.000 0.000 0.286 609 T C -2.355 172.368 174.700 0.039 0.000 0.973 609 T CA -1.550 60.563 62.100 0.022 0.000 1.035 609 T CB 1.713 70.611 68.868 0.050 0.000 0.932 609 T HN -0.040 nan 8.240 nan 0.000 0.469 610 P HA 0.146 nan 4.420 nan 0.000 0.276 610 P C 1.156 178.501 177.300 0.075 0.000 1.230 610 P CA -0.548 62.571 63.100 0.031 0.000 0.776 610 P CB 0.629 32.328 31.700 -0.001 0.000 0.888 611 V N 2.111 122.096 119.914 0.117 0.000 2.719 611 V HA -0.154 3.966 4.120 -0.000 0.000 0.252 611 V C 2.109 178.314 176.094 0.185 0.000 1.065 611 V CA 0.926 63.371 62.300 0.241 0.000 1.086 611 V CB -1.137 30.800 31.823 0.189 0.000 0.700 611 V HN 0.363 nan 8.190 nan 0.000 0.467 612 R N 1.515 122.057 120.500 0.070 0.000 2.227 612 R HA -0.334 4.006 4.340 -0.000 0.000 0.259 612 R C 2.543 178.829 176.300 -0.023 0.000 1.139 612 R CA 2.981 59.096 56.100 0.025 0.000 0.969 612 R CB -0.646 29.650 30.300 -0.006 0.000 0.903 612 R HN 0.921 nan 8.270 nan 0.000 0.452 613 Q N -0.657 119.050 119.800 -0.155 0.000 2.437 613 Q HA -0.131 4.209 4.340 -0.000 0.000 0.210 613 Q C 0.870 176.667 176.000 -0.339 0.000 0.972 613 Q CA 1.234 56.864 55.803 -0.289 0.000 0.903 613 Q CB -0.015 28.469 28.738 -0.424 0.000 0.967 613 Q HN 0.384 nan 8.270 nan 0.000 0.486 614 F N 1.171 121.135 119.950 0.023 0.000 2.692 614 F HA 0.302 4.829 4.527 -0.000 0.000 0.303 614 F C 0.747 176.580 175.800 0.056 0.000 1.114 614 F CA -0.390 57.620 58.000 0.018 0.000 1.361 614 F CB 0.215 39.221 39.000 0.010 0.000 1.063 614 F HN -0.138 nan 8.300 nan 0.000 0.550 615 R N 0.055 120.655 120.500 0.167 0.000 2.490 615 R HA 0.424 4.764 4.340 -0.000 0.000 0.278 615 R C 1.266 177.635 176.300 0.115 0.000 1.069 615 R CA 0.546 56.728 56.100 0.138 0.000 1.080 615 R CB 0.717 31.073 30.300 0.092 0.000 1.030 615 R HN 0.387 nan 8.270 nan 0.000 0.491 616 G N 1.905 110.776 108.800 0.118 0.000 2.179 616 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 616 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 616 G C 0.282 175.256 174.900 0.124 0.000 0.977 616 G CA 0.399 45.559 45.100 0.099 0.000 0.641 616 G HN 0.674 nan 8.290 nan 0.000 0.533 617 I N -0.790 119.887 120.570 0.178 0.000 2.365 617 I HA 0.752 4.922 4.170 -0.000 0.000 0.291 617 I C 0.107 176.396 176.117 0.287 0.000 1.004 617 I CA -1.330 60.104 61.300 0.224 0.000 1.311 617 I CB 1.793 39.932 38.000 0.232 0.000 1.401 617 I HN -0.102 nan 8.210 nan 0.000 0.491 618 V N 5.837 125.887 119.914 0.227 0.000 2.435 618 V HA 0.652 4.772 4.120 -0.000 0.000 0.290 618 V C 0.921 177.105 176.094 0.150 0.000 1.030 618 V CA -0.573 61.815 62.300 0.148 0.000 0.881 618 V CB 1.008 32.881 31.823 0.084 0.000 0.983 618 V HN 1.016 nan 8.190 nan 0.000 0.445 619 A N 6.825 129.626 122.820 -0.031 0.000 2.366 619 A HA 0.600 4.920 4.320 -0.000 0.000 0.250 619 A C -1.183 176.378 177.584 -0.037 0.000 1.099 619 A CA -0.704 51.247 52.037 -0.143 0.000 0.794 619 A CB -0.644 18.096 19.000 -0.433 0.000 1.056 619 A HN 0.818 nan 8.150 nan 0.000 0.499 652 I N -1.192 119.418 120.570 0.066 0.000 4.046 652 I HA 0.537 4.707 4.170 -0.000 0.000 0.285 652 I C 1.656 177.777 176.117 0.008 0.000 1.183 652 I CA 1.557 62.854 61.300 -0.005 0.000 1.337 652 I CB 0.584 38.510 38.000 -0.123 0.000 1.478 652 I HN 0.383 nan 8.210 nan 0.000 0.452 653 A N -0.753 122.011 122.820 -0.093 0.000 2.278 653 A HA 0.118 4.438 4.320 -0.000 0.000 0.212 653 A C 1.497 179.089 177.584 0.012 0.000 1.213 653 A CA 0.486 52.470 52.037 -0.088 0.000 0.840 653 A CB -1.301 17.589 19.000 -0.183 0.000 0.866 653 A HN 0.641 nan 8.150 nan 0.000 0.489 654 H N -1.847 117.287 119.070 0.107 0.000 2.353 654 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 654 H C 2.135 177.540 175.328 0.128 0.000 1.090 654 H CA 1.913 58.014 56.048 0.088 0.000 1.327 654 H CB 0.021 29.813 29.762 0.051 0.000 1.383 654 H HN 0.585 nan 8.280 nan 0.000 0.508 655 H N 0.424 119.625 119.070 0.219 0.000 2.395 655 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 655 H C 0.430 175.792 175.328 0.056 0.000 1.070 655 H CA 0.887 57.000 56.048 0.107 0.000 1.356 655 H CB -0.054 29.741 29.762 0.054 0.000 1.401 655 H HN 0.386 nan 8.280 nan 0.000 0.524 656 H N 0.000 119.197 119.070 0.212 0.000 2.539 656 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 656 H CA 0.000 56.123 56.048 0.125 0.000 1.023 656 H CB 0.000 29.799 29.762 0.062 0.000 1.292 656 H HN 0.000 nan 8.280 nan 0.000 0.496