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 3mgx_1_B DATA FIRST_RESID 6 DATA SEQUENCE AVDLGNPDLY TTLERHARWR ELAAEDAMVW SDPGSSPSGF WSVFSHRACA DATA SEQUENCE AVLAPSAPLT SEYGMMIGFD RDHPDNSGGR MMVVSEHEQH RKLRKLVGPL DATA SEQUENCE LSRAAARKLA ERVRIEVGDV LGRVLDGEVC DAATAIGPRI PAAVVCEILG DATA SEQUENCE VPAEDEDMLI DLTNHAFGGE DELFDGMTPR QAHTEILVYF DELITARRKE DATA SEQUENCE PGDDLVSTLV TDDDLTIDDV LLNCDNVLIG GNETTRHAIT GAVHALATVP DATA SEQUENCE GLLTALRDGS ADVDTVVEEV LRWTSPAMHV LRVTTADVTI NGRDLPSGTP DATA SEQUENCE VVAWLPAANR DPAEFDDPDT FLPGRKPNRH ITFGHGMHHC LGSALARIEL DATA SEQUENCE SVVLRVLAER VSRVDLEREP AWLRAIVVQG YRELPVRFTG R 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.527 177.584 -0.095 0.000 1.274 6 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 6 A CB 0.000 18.963 19.000 -0.061 0.000 0.831 7 V N 2.219 122.056 119.914 -0.127 0.000 2.427 7 V HA 0.683 4.781 4.120 -0.036 0.000 0.286 7 V C -0.563 175.378 176.094 -0.256 0.000 1.034 7 V CA -0.198 61.997 62.300 -0.175 0.000 0.893 7 V CB 1.655 33.373 31.823 -0.174 0.000 0.982 7 V HN 0.846 nan 8.190 nan 0.000 0.452 8 D N 3.783 124.059 120.400 -0.207 0.000 2.328 8 D HA 0.302 4.921 4.640 -0.036 0.000 0.243 8 D C 0.355 176.614 176.300 -0.068 0.000 1.324 8 D CA -0.351 53.535 54.000 -0.189 0.000 0.966 8 D CB 1.394 42.118 40.800 -0.127 0.000 1.324 8 D HN 0.378 nan 8.370 nan 0.000 0.549 9 L N 1.659 122.885 121.223 0.005 0.000 2.610 9 L HA 0.219 4.538 4.340 -0.036 0.000 0.232 9 L C 2.136 179.333 176.870 0.545 0.000 1.149 9 L CA 0.562 55.541 54.840 0.231 0.000 0.872 9 L CB 0.332 42.570 42.059 0.298 0.000 0.992 9 L HN 0.398 nan 8.230 nan 0.000 0.447 10 G N -0.781 108.327 108.800 0.512 0.000 2.985 10 G HA2 -0.135 3.803 3.960 -0.036 0.000 0.209 10 G HA3 -0.135 3.803 3.960 -0.036 0.000 0.209 10 G C 0.529 175.575 174.900 0.243 0.000 1.165 10 G CA -0.285 45.054 45.100 0.398 0.000 0.776 10 G HN 0.221 nan 8.290 nan 0.000 0.541 11 N N 1.258 120.054 118.700 0.159 0.000 2.431 11 N HA 0.199 4.917 4.740 -0.036 0.000 0.265 11 N C -1.505 174.040 175.510 0.059 0.000 1.184 11 N CA -2.127 50.950 53.050 0.045 0.000 0.943 11 N CB 1.787 40.236 38.487 -0.064 0.000 1.080 11 N HN -0.113 nan 8.380 nan 0.000 0.477 12 P HA -0.032 nan 4.420 nan 0.000 0.223 12 P C 0.251 177.562 177.300 0.018 0.000 1.151 12 P CA 0.807 64.006 63.100 0.165 0.000 0.787 12 P CB 0.351 32.122 31.700 0.119 0.000 0.788 13 D N -0.763 119.585 120.400 -0.086 0.000 2.310 13 D HA -0.034 4.584 4.640 -0.036 0.000 0.212 13 D C 1.689 177.813 176.300 -0.293 0.000 0.965 13 D CA 0.740 54.654 54.000 -0.143 0.000 0.879 13 D CB -0.196 40.533 40.800 -0.118 0.000 0.921 13 D HN 0.260 nan 8.370 nan 0.000 0.510 14 L N -0.508 120.390 121.223 -0.542 0.000 2.478 14 L HA -0.087 4.231 4.340 -0.036 0.000 0.223 14 L C 0.756 177.002 176.870 -1.040 0.000 1.140 14 L CA 0.642 54.941 54.840 -0.902 0.000 0.842 14 L CB -0.038 41.249 42.059 -1.286 0.000 0.953 14 L HN 0.057 nan 8.230 nan 0.000 0.452 15 Y N -2.665 117.475 120.300 -0.265 0.000 2.707 15 Y HA 0.097 4.627 4.550 -0.034 0.000 0.249 15 Y C 2.156 177.895 175.900 -0.268 0.000 1.166 15 Y CA -0.171 57.722 58.100 -0.345 0.000 1.184 15 Y CB -0.646 37.673 38.460 -0.235 0.000 1.240 15 Y HN 0.031 nan 8.280 nan 0.000 0.547 16 T N -2.916 111.578 114.554 -0.099 0.000 3.023 16 T HA 0.016 4.344 4.350 -0.036 0.000 0.266 16 T C 0.984 175.695 174.700 0.020 0.000 1.093 16 T CA 1.043 63.142 62.100 -0.001 0.000 1.129 16 T CB -0.368 68.506 68.868 0.010 0.000 0.899 16 T HN 0.289 nan 8.240 nan 0.000 0.491 17 T N -1.255 113.224 114.554 -0.125 0.000 2.940 17 T HA 0.623 4.952 4.350 -0.036 0.000 0.288 17 T C 0.811 175.326 174.700 -0.309 0.000 1.045 17 T CA -1.044 60.996 62.100 -0.100 0.000 1.018 17 T CB 1.355 70.186 68.868 -0.061 0.000 1.151 17 T HN 0.020 nan 8.240 nan 0.000 0.529 18 L N 0.321 121.430 121.223 -0.189 0.000 2.622 18 L HA 0.105 4.424 4.340 -0.036 0.000 0.233 18 L C 2.509 179.286 176.870 -0.155 0.000 1.156 18 L CA 0.679 55.406 54.840 -0.189 0.000 0.866 18 L CB -0.533 41.556 42.059 0.049 0.000 0.980 18 L HN 0.807 nan 8.230 nan 0.000 0.448 19 E N 0.510 120.598 120.200 -0.187 0.000 2.333 19 E HA -0.229 4.099 4.350 -0.036 0.000 0.198 19 E C 2.111 178.506 176.600 -0.342 0.000 1.007 19 E CA 0.588 56.869 56.400 -0.199 0.000 0.845 19 E CB 0.031 29.620 29.700 -0.184 0.000 0.766 19 E HN 0.546 nan 8.360 nan 0.000 0.507 20 R N 0.433 120.608 120.500 -0.542 0.000 2.139 20 R HA -0.189 4.129 4.340 -0.036 0.000 0.243 20 R C 1.580 177.336 176.300 -0.906 0.000 1.145 20 R CA 1.507 57.057 56.100 -0.917 0.000 0.976 20 R CB -0.616 29.000 30.300 -1.140 0.000 0.866 20 R HN 0.325 nan 8.270 nan 0.000 0.449 21 H N 0.764 119.649 119.070 -0.308 0.000 2.428 21 H HA 0.112 4.646 4.556 -0.037 0.000 0.296 21 H C 2.254 177.581 175.328 -0.003 0.000 1.062 21 H CA 1.397 57.449 56.048 0.006 0.000 1.350 21 H CB -0.065 29.719 29.762 0.036 0.000 1.403 21 H HN 0.460 nan 8.280 nan 0.000 0.533 22 A N 1.261 124.083 122.820 0.002 0.000 1.873 22 A HA -0.157 4.141 4.320 -0.036 0.000 0.215 22 A C 2.513 180.051 177.584 -0.077 0.000 1.186 22 A CA 1.310 53.333 52.037 -0.024 0.000 0.616 22 A CB -0.456 18.509 19.000 -0.058 0.000 0.823 22 A HN 0.262 nan 8.150 nan 0.000 0.442 23 R N -1.436 118.944 120.500 -0.200 0.000 2.083 23 R HA -0.190 4.128 4.340 -0.036 0.000 0.237 23 R C 1.965 178.163 176.300 -0.170 0.000 1.137 23 R CA 1.882 57.824 56.100 -0.262 0.000 0.951 23 R CB -0.284 29.752 30.300 -0.439 0.000 0.851 23 R HN 0.703 nan 8.270 nan 0.000 0.434 24 W N 0.653 121.863 121.300 -0.150 0.000 2.402 24 W HA -0.082 4.558 4.660 -0.035 0.000 0.286 24 W C 2.264 178.749 176.519 -0.056 0.000 1.221 24 W CA 0.695 57.973 57.345 -0.111 0.000 1.257 24 W CB -0.692 28.779 29.460 0.019 0.000 1.120 24 W HN 0.154 nan 8.180 nan 0.000 0.551 25 R N 1.159 121.776 120.500 0.195 0.000 2.073 25 R HA -0.175 4.143 4.340 -0.036 0.000 0.234 25 R C 2.076 178.412 176.300 0.060 0.000 1.134 25 R CA 2.189 58.367 56.100 0.131 0.000 0.952 25 R CB -1.000 29.364 30.300 0.106 0.000 0.850 25 R HN 0.227 nan 8.270 nan 0.000 0.433 26 E N -0.142 120.058 120.200 0.002 0.000 2.058 26 E HA -0.207 4.121 4.350 -0.036 0.000 0.194 26 E C 1.846 178.413 176.600 -0.055 0.000 0.997 26 E CA 1.757 58.137 56.400 -0.034 0.000 0.801 26 E CB -0.140 29.517 29.700 -0.072 0.000 0.746 26 E HN 0.405 nan 8.360 nan 0.000 0.450 27 L N 0.042 121.174 121.223 -0.150 0.000 2.156 27 L HA -0.055 4.263 4.340 -0.036 0.000 0.208 27 L C 2.600 179.463 176.870 -0.012 0.000 1.095 27 L CA 0.848 55.533 54.840 -0.258 0.000 0.770 27 L CB -0.322 41.162 42.059 -0.958 0.000 0.914 27 L HN 0.187 nan 8.230 nan 0.000 0.439 28 A N 0.139 123.012 122.820 0.089 0.000 1.897 28 A HA -0.044 4.254 4.320 -0.036 0.000 0.215 28 A C 2.525 180.199 177.584 0.149 0.000 1.181 28 A CA 1.402 53.562 52.037 0.205 0.000 0.620 28 A CB -0.642 18.496 19.000 0.230 0.000 0.821 28 A HN 0.339 nan 8.150 nan 0.000 0.443 29 A N 0.688 123.571 122.820 0.105 0.000 1.972 29 A HA -0.143 4.156 4.320 -0.036 0.000 0.219 29 A C 1.875 179.503 177.584 0.072 0.000 1.169 29 A CA 1.608 53.695 52.037 0.084 0.000 0.635 29 A CB -0.504 18.535 19.000 0.066 0.000 0.810 29 A HN 0.777 nan 8.150 nan 0.000 0.446 30 E N -1.120 119.121 120.200 0.067 0.000 2.479 30 E HA 0.054 4.382 4.350 -0.036 0.000 0.193 30 E C -0.204 176.451 176.600 0.091 0.000 1.049 30 E CA 0.462 56.900 56.400 0.064 0.000 0.870 30 E CB -0.182 29.545 29.700 0.045 0.000 0.944 30 E HN 0.240 nan 8.360 nan 0.000 0.492 31 D N 0.941 121.415 120.400 0.123 0.000 2.697 31 D HA -0.192 4.426 4.640 -0.036 0.000 0.238 31 D C -0.490 175.923 176.300 0.189 0.000 1.152 31 D CA 0.826 54.921 54.000 0.157 0.000 0.666 31 D CB -1.193 39.676 40.800 0.115 0.000 1.037 31 D HN 0.506 nan 8.370 nan 0.000 0.423 32 A N 0.802 123.764 122.820 0.238 0.000 2.386 32 A HA 0.538 4.837 4.320 -0.036 0.000 0.248 32 A C 0.560 178.381 177.584 0.395 0.000 1.082 32 A CA -0.002 52.195 52.037 0.267 0.000 0.789 32 A CB 0.578 19.688 19.000 0.183 0.000 1.025 32 A HN 0.430 nan 8.150 nan 0.000 0.490 33 M N 3.115 122.930 119.600 0.359 0.000 1.999 33 M HA 0.461 4.919 4.480 -0.036 0.000 0.299 33 M C -1.582 175.081 176.300 0.605 0.000 0.900 33 M CA -0.169 55.388 55.300 0.429 0.000 0.904 33 M CB 1.110 33.855 32.600 0.241 0.000 1.477 33 M HN 0.276 nan 8.290 nan 0.000 0.403 34 V N 4.810 125.113 119.914 0.648 0.000 2.417 34 V HA 0.415 4.513 4.120 -0.036 0.000 0.291 34 V C -0.756 175.505 176.094 0.278 0.000 1.024 34 V CA -0.707 61.872 62.300 0.465 0.000 0.861 34 V CB 1.547 33.601 31.823 0.386 0.000 0.985 34 V HN 0.882 nan 8.190 nan 0.000 0.436 35 W N 4.265 125.361 121.300 -0.340 0.000 2.316 35 W HA 0.483 5.122 4.660 -0.036 0.000 0.311 35 W C -0.478 175.697 176.519 -0.573 0.000 1.217 35 W CA -0.262 56.529 57.345 -0.923 0.000 1.199 35 W CB 1.592 30.192 29.460 -1.433 0.000 1.202 35 W HN 0.517 nan 8.180 nan 0.000 0.528 36 S N 5.520 120.270 115.700 -1.582 0.000 2.451 36 S HA 0.155 4.604 4.470 -0.036 0.000 0.301 36 S C -0.274 173.280 174.600 -1.743 0.000 1.116 36 S CA -0.648 56.687 58.200 -1.441 0.000 1.093 36 S CB 1.359 63.606 63.200 -1.588 0.000 1.017 36 S HN 0.391 nan 8.310 nan 0.000 0.482 37 D N 3.063 122.920 120.400 -0.904 0.000 2.344 37 D HA 0.236 4.854 4.640 -0.036 0.000 0.244 37 D C -2.300 173.779 176.300 -0.369 0.000 1.134 37 D CA -1.218 52.504 54.000 -0.463 0.000 0.930 37 D CB 0.335 41.046 40.800 -0.150 0.000 1.175 37 D HN 0.175 nan 8.370 nan 0.000 0.437 38 P HA 0.122 nan 4.420 nan 0.000 0.267 38 P C 0.378 177.622 177.300 -0.093 0.000 1.200 38 P CA 0.352 63.386 63.100 -0.109 0.000 0.772 38 P CB 0.747 32.429 31.700 -0.031 0.000 0.855 39 G N 0.419 109.175 108.800 -0.072 0.000 3.118 39 G HA2 -0.145 3.793 3.960 -0.036 0.000 0.105 39 G HA3 -0.145 3.793 3.960 -0.036 0.000 0.105 39 G C 1.256 176.131 174.900 -0.043 0.000 1.918 39 G CA 0.428 45.494 45.100 -0.056 0.000 1.038 39 G HN 0.473 nan 8.290 nan 0.000 0.293 40 S N 0.640 116.330 115.700 -0.016 0.000 2.406 40 S HA 0.229 4.677 4.470 -0.036 0.000 0.228 40 S C 1.349 175.930 174.600 -0.031 0.000 1.020 40 S CA 1.576 59.773 58.200 -0.005 0.000 0.965 40 S CB -0.371 62.859 63.200 0.050 0.000 0.798 40 S HN 1.727 nan 8.310 nan 0.000 0.488 41 S N 1.396 117.101 115.700 0.009 0.000 2.549 41 S HA 0.567 5.016 4.470 -0.036 0.000 0.297 41 S C -2.043 172.511 174.600 -0.077 0.000 1.115 41 S CA -1.585 56.603 58.200 -0.021 0.000 1.059 41 S CB 1.804 65.088 63.200 0.140 0.000 1.046 41 S HN 0.094 nan 8.310 nan 0.000 0.506 42 P HA -0.013 nan 4.420 nan 0.000 0.219 42 P C 0.897 178.131 177.300 -0.110 0.000 1.150 42 P CA 1.088 64.027 63.100 -0.269 0.000 0.814 42 P CB -0.024 31.205 31.700 -0.785 0.000 0.787 43 S N -2.742 112.956 115.700 -0.002 0.000 2.847 43 S HA 0.515 4.964 4.470 -0.036 0.000 0.254 43 S C 0.749 175.435 174.600 0.142 0.000 1.039 43 S CA 0.163 58.433 58.200 0.115 0.000 1.113 43 S CB -0.172 63.150 63.200 0.202 0.000 1.092 43 S HN 0.433 nan 8.310 nan 0.000 0.620 44 G N 1.334 110.120 108.800 -0.024 0.000 2.756 44 G HA2 0.211 4.149 3.960 -0.036 0.000 0.678 44 G HA3 0.211 4.149 3.960 -0.036 0.000 0.678 44 G C -0.817 173.904 174.900 -0.298 0.000 1.349 44 G CA -0.428 44.406 45.100 -0.444 0.000 0.847 44 G HN 1.565 nan 8.290 nan 0.000 0.548 45 F N -3.919 115.506 119.950 -0.874 0.000 2.678 45 F HA 0.741 5.248 4.527 -0.034 0.000 0.308 45 F C -0.786 174.834 175.800 -0.299 0.000 1.118 45 F CA -2.270 55.544 58.000 -0.310 0.000 0.959 45 F CB 0.487 39.418 39.000 -0.115 0.000 1.305 45 F HN 0.650 nan 8.300 nan 0.000 0.443 46 W N 1.089 122.601 121.300 0.353 0.000 2.283 46 W HA 0.718 5.356 4.660 -0.037 0.000 0.341 46 W C -0.357 176.369 176.519 0.345 0.000 1.206 46 W CA -0.351 57.197 57.345 0.339 0.000 1.294 46 W CB 1.870 31.536 29.460 0.343 0.000 1.154 46 W HN 0.580 nan 8.180 nan 0.000 0.613 47 S N 0.899 116.932 115.700 0.556 0.000 2.547 47 S HA 0.616 5.064 4.470 -0.036 0.000 0.281 47 S C -0.761 173.885 174.600 0.077 0.000 1.118 47 S CA -0.912 57.486 58.200 0.330 0.000 0.947 47 S CB 1.258 64.729 63.200 0.451 0.000 1.053 47 S HN 0.330 nan 8.310 nan 0.000 0.482 48 V N 0.347 120.170 119.914 -0.152 0.000 2.919 48 V HA 0.773 4.872 4.120 -0.036 0.000 0.316 48 V C -0.704 175.135 176.094 -0.426 0.000 1.077 48 V CA -0.531 61.688 62.300 -0.135 0.000 0.977 48 V CB 1.239 33.073 31.823 0.018 0.000 1.039 48 V HN 0.882 nan 8.190 nan 0.000 0.441 49 F N 0.310 120.379 119.950 0.198 0.000 2.671 49 F HA 0.271 4.777 4.527 -0.035 0.000 0.303 49 F C 1.655 177.526 175.800 0.118 0.000 0.935 49 F CA 0.575 58.672 58.000 0.161 0.000 1.136 49 F CB -0.122 38.972 39.000 0.157 0.000 0.929 49 F HN 0.681 nan 8.300 nan 0.000 0.659 50 S N 1.020 116.895 115.700 0.292 0.000 2.584 50 S HA -0.036 4.412 4.470 -0.036 0.000 0.270 50 S C 1.224 175.928 174.600 0.173 0.000 1.346 50 S CA -0.202 58.130 58.200 0.219 0.000 1.018 50 S CB 0.311 63.618 63.200 0.178 0.000 0.899 50 S HN 0.398 nan 8.310 nan 0.000 0.542 51 H N 2.996 122.126 119.070 0.100 0.000 2.353 51 H HA -0.131 4.403 4.556 -0.036 0.000 0.300 51 H C 2.284 177.612 175.328 0.001 0.000 1.090 51 H CA 2.265 58.352 56.048 0.065 0.000 1.327 51 H CB -0.031 29.770 29.762 0.065 0.000 1.383 51 H HN 0.881 nan 8.280 nan 0.000 0.508 52 R N 0.325 120.868 120.500 0.072 0.000 2.090 52 R HA 0.047 4.365 4.340 -0.036 0.000 0.228 52 R C 2.406 178.680 176.300 -0.042 0.000 1.110 52 R CA 1.064 57.163 56.100 -0.002 0.000 0.973 52 R CB -0.510 29.819 30.300 0.048 0.000 0.869 52 R HN 0.185 nan 8.270 nan 0.000 0.440 53 A N 1.267 124.089 122.820 0.002 0.000 1.930 53 A HA -0.063 4.235 4.320 -0.036 0.000 0.217 53 A C 2.384 179.949 177.584 -0.032 0.000 1.175 53 A CA 1.226 53.267 52.037 0.007 0.000 0.627 53 A CB -0.685 18.350 19.000 0.059 0.000 0.815 53 A HN 0.541 nan 8.150 nan 0.000 0.443 54 C N -1.037 118.224 119.300 -0.064 0.000 2.446 54 C HA 0.095 4.533 4.460 -0.036 0.000 0.277 54 C C 3.304 178.206 174.990 -0.147 0.000 1.275 54 C CA 0.775 59.734 59.018 -0.098 0.000 1.727 54 C CB -1.222 26.455 27.740 -0.105 0.000 2.010 54 C HN 0.698 nan 8.230 nan 0.000 0.486 55 A N 0.402 123.057 122.820 -0.275 0.000 1.930 55 A HA 0.122 4.420 4.320 -0.036 0.000 0.217 55 A C 2.329 179.823 177.584 -0.151 0.000 1.175 55 A CA 1.894 53.680 52.037 -0.418 0.000 0.627 55 A CB -0.749 17.842 19.000 -0.681 0.000 0.815 55 A HN 0.556 nan 8.150 nan 0.000 0.443 56 A N -0.591 122.176 122.820 -0.089 0.000 1.898 56 A HA 0.014 4.312 4.320 -0.036 0.000 0.216 56 A C 2.181 179.770 177.584 0.009 0.000 1.181 56 A CA 1.686 53.712 52.037 -0.018 0.000 0.620 56 A CB -0.859 18.132 19.000 -0.015 0.000 0.819 56 A HN 0.367 nan 8.150 nan 0.000 0.442 57 V N -0.111 119.803 119.914 -0.001 0.000 2.515 57 V HA -0.169 3.929 4.120 -0.036 0.000 0.250 57 V C 2.125 178.237 176.094 0.031 0.000 1.058 57 V CA 1.727 64.035 62.300 0.012 0.000 1.064 57 V CB -0.508 31.317 31.823 0.003 0.000 0.675 57 V HN 0.557 nan 8.190 nan 0.000 0.461 58 L N -0.162 121.093 121.223 0.054 0.000 2.607 58 L HA 0.368 4.686 4.340 -0.036 0.000 0.228 58 L C 1.216 178.178 176.870 0.154 0.000 1.123 58 L CA -0.166 54.736 54.840 0.103 0.000 0.890 58 L CB -0.330 41.810 42.059 0.135 0.000 1.103 58 L HN 0.236 nan 8.230 nan 0.000 0.468 59 A N 0.823 123.734 122.820 0.151 0.000 2.483 59 A HA 0.195 4.494 4.320 -0.036 0.000 0.238 59 A C -1.365 176.244 177.584 0.042 0.000 1.070 59 A CA -0.815 51.298 52.037 0.126 0.000 0.770 59 A CB -0.046 19.015 19.000 0.101 0.000 1.008 59 A HN 0.005 nan 8.150 nan 0.000 0.497 60 P HA -0.159 nan 4.420 nan 0.000 0.218 60 P C 1.474 178.771 177.300 -0.005 0.000 1.148 60 P CA 2.012 65.099 63.100 -0.022 0.000 0.822 60 P CB 0.102 31.778 31.700 -0.040 0.000 0.784 61 S N -1.829 113.875 115.700 0.007 0.000 2.558 61 S HA 0.254 4.702 4.470 -0.036 0.000 0.217 61 S C 1.080 175.690 174.600 0.017 0.000 0.975 61 S CA -0.119 58.088 58.200 0.012 0.000 0.912 61 S CB -0.759 62.448 63.200 0.012 0.000 0.776 61 S HN 0.095 nan 8.310 nan 0.000 0.526 62 A N 3.101 125.933 122.820 0.020 0.000 2.450 62 A HA 0.519 4.817 4.320 -0.036 0.000 0.255 62 A C -2.390 175.208 177.584 0.023 0.000 1.096 62 A CA -1.451 50.600 52.037 0.022 0.000 0.778 62 A CB -0.194 18.823 19.000 0.027 0.000 1.031 62 A HN 0.282 nan 8.150 nan 0.000 0.494 63 P HA 0.412 nan 4.420 nan 0.000 0.230 63 P C -1.156 176.169 177.300 0.043 0.000 1.791 63 P CA 0.286 63.407 63.100 0.035 0.000 1.020 63 P CB -0.306 31.415 31.700 0.035 0.000 1.977 64 L N 0.024 121.268 121.223 0.035 0.000 2.393 64 L HA 0.707 5.026 4.340 -0.036 0.000 0.260 64 L C 0.254 177.132 176.870 0.014 0.000 1.002 64 L CA -0.331 54.534 54.840 0.042 0.000 0.818 64 L CB 2.505 44.588 42.059 0.041 0.000 1.369 64 L HN -0.126 nan 8.230 nan 0.000 0.412 65 T N -1.297 113.265 114.554 0.013 0.000 2.906 65 T HA 0.469 4.798 4.350 -0.036 0.000 0.295 65 T C 0.175 174.820 174.700 -0.093 0.000 1.061 65 T CA -0.305 61.759 62.100 -0.060 0.000 1.000 65 T CB 1.581 70.384 68.868 -0.108 0.000 1.103 65 T HN 0.530 nan 8.240 nan 0.000 0.486 66 S N 1.917 117.511 115.700 -0.177 0.000 2.540 66 S HA 0.129 4.577 4.470 -0.036 0.000 0.218 66 S C 1.557 176.007 174.600 -0.250 0.000 0.977 66 S CA -0.201 57.851 58.200 -0.247 0.000 0.918 66 S CB 0.064 62.958 63.200 -0.510 0.000 0.806 66 S HN 0.771 nan 8.310 nan 0.000 0.496 67 E N 0.682 120.684 120.200 -0.330 0.000 2.160 67 E HA -0.172 4.156 4.350 -0.036 0.000 0.195 67 E C 0.525 176.887 176.600 -0.396 0.000 0.991 67 E CA 1.340 57.485 56.400 -0.424 0.000 0.810 67 E CB -0.133 29.193 29.700 -0.623 0.000 0.742 67 E HN 0.703 nan 8.360 nan 0.000 0.466 68 Y N -0.741 119.528 120.300 -0.053 0.000 2.457 68 Y HA 0.294 4.824 4.550 -0.034 0.000 0.263 68 Y C 0.865 176.701 175.900 -0.106 0.000 1.164 68 Y CA -0.118 57.954 58.100 -0.047 0.000 1.274 68 Y CB 1.216 39.691 38.460 0.025 0.000 1.097 68 Y HN -0.013 nan 8.280 nan 0.000 0.523 69 G N 0.819 109.591 108.800 -0.047 0.000 2.348 69 G HA2 0.129 4.067 3.960 -0.036 0.000 0.606 69 G HA3 0.129 4.067 3.960 -0.036 0.000 0.606 69 G C -0.566 174.330 174.900 -0.007 0.000 1.466 69 G CA -0.536 44.505 45.100 -0.099 0.000 0.950 69 G HN 0.102 nan 8.290 nan 0.000 0.657 70 M N -0.914 118.673 119.600 -0.022 0.000 2.502 70 M HA 0.717 5.175 4.480 -0.036 0.000 0.351 70 M C 0.149 176.409 176.300 -0.067 0.000 1.118 70 M CA -0.113 55.139 55.300 -0.079 0.000 0.952 70 M CB 0.350 32.833 32.600 -0.195 0.000 1.424 70 M HN 0.401 nan 8.290 nan 0.000 0.529 71 M N 0.555 120.208 119.600 0.088 0.000 2.572 71 M HA 0.579 5.038 4.480 -0.036 0.000 0.299 71 M C -0.859 175.500 176.300 0.098 0.000 1.205 71 M CA -0.790 54.567 55.300 0.096 0.000 0.876 71 M CB 2.931 35.578 32.600 0.079 0.000 1.728 71 M HN 0.094 nan 8.290 nan 0.000 0.458 72 I N 1.892 122.494 120.570 0.054 0.000 2.821 72 I HA 0.064 4.212 4.170 -0.036 0.000 0.294 72 I C 1.147 177.102 176.117 -0.269 0.000 1.210 72 I CA 1.413 62.523 61.300 -0.317 0.000 1.430 72 I CB 0.078 37.680 38.000 -0.662 0.000 1.356 72 I HN 1.081 nan 8.210 nan 0.000 0.563 73 G N 5.068 113.698 108.800 -0.284 0.000 2.428 73 G HA2 -0.189 3.750 3.960 -0.036 0.000 0.199 73 G HA3 -0.189 3.750 3.960 -0.036 0.000 0.199 73 G C -0.102 174.521 174.900 -0.462 0.000 1.005 73 G CA -0.694 44.152 45.100 -0.424 0.000 0.671 73 G HN 0.382 nan 8.290 nan 0.000 0.485 74 F N 2.423 122.380 119.950 0.012 0.000 2.492 74 F HA 0.703 5.209 4.527 -0.036 0.000 0.327 74 F C 0.357 176.209 175.800 0.086 0.000 1.079 74 F CA -0.471 57.568 58.000 0.065 0.000 0.967 74 F CB 1.997 41.036 39.000 0.065 0.000 1.169 74 F HN 0.356 nan 8.300 nan 0.000 0.472 75 D N -0.980 119.621 120.400 0.335 0.000 2.921 75 D HA 0.286 4.904 4.640 -0.036 0.000 0.329 75 D C 0.658 176.999 176.300 0.069 0.000 1.293 75 D CA -0.872 53.260 54.000 0.219 0.000 0.964 75 D CB 0.741 41.663 40.800 0.203 0.000 1.435 75 D HN 0.287 nan 8.370 nan 0.000 0.548 76 R N -0.710 119.695 120.500 -0.158 0.000 2.081 76 R HA -0.093 4.226 4.340 -0.036 0.000 0.235 76 R C 0.347 176.426 176.300 -0.369 0.000 1.131 76 R CA 1.747 57.460 56.100 -0.645 0.000 0.960 76 R CB -0.246 29.719 30.300 -0.558 0.000 0.856 76 R HN 0.412 nan 8.270 nan 0.000 0.436 77 D N -1.044 119.251 120.400 -0.175 0.000 2.323 77 D HA -0.011 4.607 4.640 -0.036 0.000 0.209 77 D C -0.194 175.822 176.300 -0.473 0.000 0.973 77 D CA 0.952 54.784 54.000 -0.280 0.000 0.874 77 D CB 0.260 40.902 40.800 -0.264 0.000 0.930 77 D HN 0.386 nan 8.370 nan 0.000 0.521 78 H N -0.434 118.661 119.070 0.042 0.000 2.380 78 H HA 0.279 4.813 4.556 -0.037 0.000 0.231 78 H C -2.378 173.077 175.328 0.211 0.000 1.415 78 H CA -1.619 54.498 56.048 0.115 0.000 1.433 78 H CB 1.068 30.898 29.762 0.113 0.000 1.544 78 H HN -0.013 nan 8.280 nan 0.000 0.503 79 P HA 0.034 nan 4.420 nan 0.000 0.279 79 P C 0.081 177.408 177.300 0.045 0.000 1.252 79 P CA -0.439 62.770 63.100 0.182 0.000 0.811 79 P CB 1.407 33.209 31.700 0.168 0.000 1.035 80 D N 1.495 121.702 120.400 -0.322 0.000 2.417 80 D HA -0.014 4.605 4.640 -0.036 0.000 0.250 80 D C 1.133 177.265 176.300 -0.281 0.000 1.166 80 D CA 0.140 53.677 54.000 -0.771 0.000 0.881 80 D CB 0.202 40.400 40.800 -1.004 0.000 1.164 80 D HN 0.134 nan 8.370 nan 0.000 0.467 81 N N 1.846 120.442 118.700 -0.173 0.000 2.272 81 N HA -0.129 4.589 4.740 -0.036 0.000 0.185 81 N C 1.120 176.589 175.510 -0.068 0.000 1.014 81 N CA 0.699 53.712 53.050 -0.061 0.000 0.870 81 N CB 0.112 38.594 38.487 -0.008 0.000 0.975 81 N HN 0.264 nan 8.380 nan 0.000 0.433 82 S N -0.283 115.348 115.700 -0.114 0.000 2.593 82 S HA 0.106 4.555 4.470 -0.036 0.000 0.217 82 S C 1.137 175.687 174.600 -0.084 0.000 0.966 82 S CA -0.296 57.856 58.200 -0.079 0.000 0.914 82 S CB 0.032 63.188 63.200 -0.073 0.000 0.776 82 S HN 0.366 nan 8.310 nan 0.000 0.523 83 G N 0.562 109.295 108.800 -0.112 0.000 2.225 83 G HA2 0.371 4.309 3.960 -0.036 0.000 0.245 83 G HA3 0.371 4.309 3.960 -0.036 0.000 0.245 83 G C 1.084 175.946 174.900 -0.064 0.000 1.249 83 G CA 0.168 45.205 45.100 -0.105 0.000 0.919 83 G HN 0.610 nan 8.290 nan 0.000 0.486 84 G N 2.329 111.093 108.800 -0.061 0.000 2.205 84 G HA2 -0.314 3.625 3.960 -0.036 0.000 0.261 84 G HA3 -0.314 3.625 3.960 -0.036 0.000 0.261 84 G C 1.246 176.143 174.900 -0.004 0.000 0.980 84 G CA 0.964 46.048 45.100 -0.026 0.000 0.632 84 G HN 0.823 nan 8.290 nan 0.000 0.533 85 R N -1.102 119.393 120.500 -0.009 0.000 2.144 85 R HA 0.478 4.796 4.340 -0.036 0.000 0.195 85 R C 1.507 177.812 176.300 0.009 0.000 1.077 85 R CA 0.302 56.403 56.100 0.002 0.000 1.120 85 R CB 0.151 30.451 30.300 -0.001 0.000 1.060 85 R HN 0.420 nan 8.270 nan 0.000 0.520 86 M N 2.023 121.625 119.600 0.003 0.000 2.185 86 M HA 0.080 4.539 4.480 -0.036 0.000 0.357 86 M C 1.217 177.539 176.300 0.037 0.000 1.260 86 M CA 0.054 55.363 55.300 0.015 0.000 1.124 86 M CB 1.250 33.853 32.600 0.006 0.000 1.600 86 M HN 0.230 nan 8.290 nan 0.000 0.467 87 M N 4.185 123.821 119.600 0.061 0.000 2.113 87 M HA -0.196 4.262 4.480 -0.036 0.000 0.255 87 M C 1.363 177.797 176.300 0.224 0.000 1.073 87 M CA 2.286 57.665 55.300 0.132 0.000 1.091 87 M CB -0.218 32.432 32.600 0.083 0.000 1.309 87 M HN 0.705 nan 8.290 nan 0.000 0.407 88 V N 0.485 120.468 119.914 0.114 0.000 2.913 88 V HA -0.102 3.996 4.120 -0.036 0.000 0.260 88 V C 1.426 177.425 176.094 -0.157 0.000 1.098 88 V CA 1.498 63.817 62.300 0.031 0.000 1.121 88 V CB -0.029 31.782 31.823 -0.020 0.000 0.714 88 V HN 0.573 nan 8.190 nan 0.000 0.487 89 V N -0.837 119.024 119.914 -0.088 0.000 2.940 89 V HA 0.535 4.634 4.120 -0.036 0.000 0.366 89 V C 0.203 176.239 176.094 -0.097 0.000 1.353 89 V CA 0.245 62.454 62.300 -0.151 0.000 1.232 89 V CB -0.401 31.323 31.823 -0.165 0.000 1.278 89 V HN 0.478 nan 8.190 nan 0.000 0.546 90 S N -0.764 114.938 115.700 0.003 0.000 2.599 90 S HA 0.876 5.325 4.470 -0.036 0.000 0.294 90 S C -0.820 173.783 174.600 0.005 0.000 1.094 90 S CA -0.658 57.554 58.200 0.020 0.000 0.931 90 S CB 3.028 66.274 63.200 0.078 0.000 1.093 90 S HN 0.360 nan 8.310 nan 0.000 0.488 91 E N -0.042 120.118 120.200 -0.067 0.000 2.423 91 E HA 0.470 4.798 4.350 -0.036 0.000 0.269 91 E C -0.179 176.341 176.600 -0.133 0.000 0.948 91 E CA -0.574 55.664 56.400 -0.270 0.000 0.802 91 E CB 0.732 30.094 29.700 -0.565 0.000 1.339 91 E HN 0.877 nan 8.360 nan 0.000 0.445 92 H N 0.789 119.867 119.070 0.013 0.000 1.452 92 H HA -0.212 4.323 4.556 -0.035 0.000 0.090 92 H C 1.463 176.816 175.328 0.043 0.000 1.168 92 H CA 1.422 57.483 56.048 0.021 0.000 1.901 92 H CB -1.073 28.689 29.762 0.000 0.000 2.257 92 H HN 0.773 nan 8.280 nan 0.000 0.961 93 E N 1.400 121.706 120.200 0.178 0.000 2.110 93 E HA -0.210 4.118 4.350 -0.036 0.000 0.193 93 E C 2.000 178.633 176.600 0.055 0.000 0.988 93 E CA 1.918 58.366 56.400 0.080 0.000 0.804 93 E CB -0.414 29.315 29.700 0.048 0.000 0.745 93 E HN 0.479 nan 8.360 nan 0.000 0.458 94 Q N 0.903 120.747 119.800 0.074 0.000 2.096 94 Q HA -0.221 4.097 4.340 -0.036 0.000 0.204 94 Q C 2.242 178.274 176.000 0.052 0.000 0.982 94 Q CA 2.027 57.861 55.803 0.052 0.000 0.850 94 Q CB -0.566 28.207 28.738 0.057 0.000 0.901 94 Q HN 0.624 nan 8.270 nan 0.000 0.422 95 H N -0.447 118.611 119.070 -0.020 0.000 2.357 95 H HA -0.088 4.450 4.556 -0.030 0.000 0.301 95 H C 2.122 177.413 175.328 -0.061 0.000 1.082 95 H CA 1.680 57.700 56.048 -0.047 0.000 1.342 95 H CB 0.132 29.835 29.762 -0.098 0.000 1.389 95 H HN 0.245 nan 8.280 nan 0.000 0.511 96 R N 0.971 121.381 120.500 -0.149 0.000 2.075 96 R HA -0.097 4.222 4.340 -0.036 0.000 0.232 96 R C 2.656 178.864 176.300 -0.153 0.000 1.126 96 R CA 1.452 57.438 56.100 -0.190 0.000 0.963 96 R CB -0.078 30.185 30.300 -0.062 0.000 0.858 96 R HN 0.213 nan 8.270 nan 0.000 0.435 97 K N 0.437 120.784 120.400 -0.089 0.000 2.032 97 K HA -0.169 4.130 4.320 -0.036 0.000 0.209 97 K C 1.982 178.530 176.600 -0.086 0.000 1.048 97 K CA 1.665 57.911 56.287 -0.068 0.000 0.927 97 K CB -0.112 32.367 32.500 -0.035 0.000 0.712 97 K HN 0.232 nan 8.250 nan 0.000 0.441 98 L N 0.201 121.363 121.223 -0.102 0.000 2.109 98 L HA -0.111 4.208 4.340 -0.036 0.000 0.207 98 L C 2.678 179.470 176.870 -0.130 0.000 1.086 98 L CA 0.994 55.777 54.840 -0.095 0.000 0.760 98 L CB -0.314 41.707 42.059 -0.064 0.000 0.910 98 L HN 0.160 nan 8.230 nan 0.000 0.437 99 R N 0.159 120.528 120.500 -0.220 0.000 2.096 99 R HA -0.160 4.159 4.340 -0.036 0.000 0.235 99 R C 2.294 178.512 176.300 -0.136 0.000 1.127 99 R CA 1.238 57.212 56.100 -0.210 0.000 0.968 99 R CB -0.135 29.969 30.300 -0.327 0.000 0.861 99 R HN 0.328 nan 8.270 nan 0.000 0.440 100 K N 0.361 120.687 120.400 -0.124 0.000 2.097 100 K HA -0.092 4.206 4.320 -0.036 0.000 0.205 100 K C 2.075 178.634 176.600 -0.069 0.000 1.050 100 K CA 1.003 57.238 56.287 -0.086 0.000 0.938 100 K CB -0.002 32.454 32.500 -0.074 0.000 0.718 100 K HN 0.149 nan 8.250 nan 0.000 0.442 101 L N 0.097 121.279 121.223 -0.068 0.000 2.068 101 L HA -0.132 4.187 4.340 -0.036 0.000 0.204 101 L C 2.198 179.035 176.870 -0.056 0.000 1.076 101 L CA 0.751 55.557 54.840 -0.056 0.000 0.753 101 L CB -0.122 41.906 42.059 -0.051 0.000 0.910 101 L HN -0.044 nan 8.230 nan 0.000 0.439 102 V N -0.489 119.387 119.914 -0.062 0.000 2.535 102 V HA -0.041 4.058 4.120 -0.036 0.000 0.246 102 V C 2.583 178.643 176.094 -0.056 0.000 1.045 102 V CA 1.414 63.680 62.300 -0.058 0.000 1.058 102 V CB -0.995 30.794 31.823 -0.057 0.000 0.689 102 V HN 0.522 nan 8.190 nan 0.000 0.461 103 G N 1.526 110.288 108.800 -0.064 0.000 2.574 103 G HA2 -0.256 3.682 3.960 -0.036 0.000 0.220 103 G HA3 -0.256 3.682 3.960 -0.036 0.000 0.220 103 G C -0.194 174.676 174.900 -0.049 0.000 1.173 103 G CA 1.441 46.505 45.100 -0.060 0.000 0.772 103 G HN 0.515 nan 8.290 nan 0.000 0.585 104 P HA 0.012 nan 4.420 nan 0.000 0.222 104 P C 1.774 179.054 177.300 -0.034 0.000 1.147 104 P CA 0.583 63.661 63.100 -0.037 0.000 0.790 104 P CB -0.080 31.599 31.700 -0.035 0.000 0.780 105 L N -1.841 119.360 121.223 -0.036 0.000 2.395 105 L HA 0.000 4.318 4.340 -0.036 0.000 0.218 105 L C 1.734 178.585 176.870 -0.032 0.000 1.130 105 L CA 0.950 55.770 54.840 -0.033 0.000 0.826 105 L CB -0.363 41.674 42.059 -0.036 0.000 0.941 105 L HN -0.049 nan 8.230 nan 0.000 0.451 106 L N -1.548 119.653 121.223 -0.037 0.000 2.906 106 L HA 0.216 4.535 4.340 -0.036 0.000 0.255 106 L C 1.126 177.971 176.870 -0.042 0.000 1.166 106 L CA -0.311 54.505 54.840 -0.040 0.000 0.977 106 L CB 0.003 42.032 42.059 -0.049 0.000 1.313 106 L HN 0.156 nan 8.230 nan 0.000 0.549 107 S N -0.412 115.266 115.700 -0.036 0.000 2.596 107 S HA 0.074 4.523 4.470 -0.036 0.000 0.260 107 S C 1.241 175.824 174.600 -0.027 0.000 1.336 107 S CA -0.338 57.842 58.200 -0.034 0.000 0.993 107 S CB 1.231 64.413 63.200 -0.030 0.000 0.923 107 S HN 0.276 nan 8.310 nan 0.000 0.567 108 R N 0.498 120.983 120.500 -0.024 0.000 2.105 108 R HA -0.121 4.197 4.340 -0.036 0.000 0.239 108 R C 2.447 178.741 176.300 -0.011 0.000 1.135 108 R CA 1.445 57.535 56.100 -0.016 0.000 0.967 108 R CB -1.050 29.243 30.300 -0.013 0.000 0.861 108 R HN 0.857 nan 8.270 nan 0.000 0.442 109 A N 0.505 123.317 122.820 -0.013 0.000 1.873 109 A HA -0.095 4.204 4.320 -0.036 0.000 0.215 109 A C 2.297 179.875 177.584 -0.010 0.000 1.186 109 A CA 1.626 53.657 52.037 -0.010 0.000 0.616 109 A CB -0.657 18.336 19.000 -0.012 0.000 0.823 109 A HN 0.481 nan 8.150 nan 0.000 0.442 110 A N -0.241 122.571 122.820 -0.013 0.000 1.930 110 A HA 0.201 4.499 4.320 -0.036 0.000 0.217 110 A C 2.448 180.027 177.584 -0.009 0.000 1.175 110 A CA 1.929 53.959 52.037 -0.012 0.000 0.627 110 A CB -0.887 18.102 19.000 -0.017 0.000 0.815 110 A HN 1.038 nan 8.150 nan 0.000 0.443 111 A N -0.386 122.428 122.820 -0.010 0.000 1.969 111 A HA -0.101 4.197 4.320 -0.036 0.000 0.218 111 A C 2.201 179.785 177.584 0.001 0.000 1.169 111 A CA 1.259 53.293 52.037 -0.005 0.000 0.635 111 A CB -0.409 18.587 19.000 -0.008 0.000 0.810 111 A HN 0.532 nan 8.150 nan 0.000 0.445 112 R N -0.585 119.915 120.500 0.001 0.000 2.115 112 R HA -0.103 4.215 4.340 -0.036 0.000 0.230 112 R C 1.948 178.250 176.300 0.003 0.000 1.111 112 R CA 1.590 57.692 56.100 0.004 0.000 0.976 112 R CB -0.160 30.142 30.300 0.003 0.000 0.870 112 R HN 0.339 nan 8.270 nan 0.000 0.445 113 K N 0.513 120.914 120.400 0.001 0.000 2.103 113 K HA -0.015 4.284 4.320 -0.036 0.000 0.204 113 K C 1.826 178.428 176.600 0.002 0.000 1.052 113 K CA 0.874 57.162 56.287 0.001 0.000 0.945 113 K CB -0.028 32.471 32.500 -0.001 0.000 0.722 113 K HN 0.076 nan 8.250 nan 0.000 0.443 114 L N 0.061 121.286 121.223 0.002 0.000 2.376 114 L HA -0.037 4.281 4.340 -0.036 0.000 0.219 114 L C 2.134 179.009 176.870 0.007 0.000 1.133 114 L CA 0.624 55.467 54.840 0.004 0.000 0.816 114 L CB -0.414 41.647 42.059 0.003 0.000 0.933 114 L HN 0.151 nan 8.230 nan 0.000 0.449 115 A N -0.243 122.582 122.820 0.008 0.000 1.972 115 A HA -0.183 4.115 4.320 -0.036 0.000 0.219 115 A C 2.229 179.818 177.584 0.008 0.000 1.169 115 A CA 1.295 53.338 52.037 0.011 0.000 0.635 115 A CB -0.236 18.772 19.000 0.012 0.000 0.810 115 A HN 0.312 nan 8.150 nan 0.000 0.446 116 E N -0.311 119.892 120.200 0.006 0.000 2.077 116 E HA -0.210 4.118 4.350 -0.036 0.000 0.193 116 E C 2.183 178.785 176.600 0.003 0.000 0.989 116 E CA 1.388 57.790 56.400 0.004 0.000 0.800 116 E CB -0.261 29.441 29.700 0.003 0.000 0.746 116 E HN 0.517 nan 8.360 nan 0.000 0.452 117 R N 0.962 121.465 120.500 0.004 0.000 2.075 117 R HA -0.080 4.238 4.340 -0.036 0.000 0.232 117 R C 2.275 178.575 176.300 0.001 0.000 1.126 117 R CA 1.046 57.148 56.100 0.003 0.000 0.963 117 R CB -0.821 29.483 30.300 0.006 0.000 0.858 117 R HN 0.015 nan 8.270 nan 0.000 0.435 118 V N 1.059 120.975 119.914 0.004 0.000 2.287 118 V HA -0.256 3.843 4.120 -0.036 0.000 0.248 118 V C 2.560 178.652 176.094 -0.003 0.000 1.053 118 V CA 2.308 64.610 62.300 0.003 0.000 1.027 118 V CB -0.662 31.168 31.823 0.011 0.000 0.646 118 V HN 0.395 nan 8.190 nan 0.000 0.447 119 R N -0.043 120.456 120.500 -0.001 0.000 2.083 119 R HA -0.174 4.144 4.340 -0.036 0.000 0.237 119 R C 2.251 178.544 176.300 -0.013 0.000 1.137 119 R CA 1.965 58.061 56.100 -0.005 0.000 0.951 119 R CB -0.215 30.084 30.300 -0.002 0.000 0.851 119 R HN 0.382 nan 8.270 nan 0.000 0.434 120 I N 0.988 121.552 120.570 -0.010 0.000 2.252 120 I HA -0.184 3.964 4.170 -0.036 0.000 0.245 120 I C 2.249 178.354 176.117 -0.020 0.000 1.102 120 I CA 1.316 62.608 61.300 -0.013 0.000 1.385 120 I CB -1.279 36.716 38.000 -0.009 0.000 1.064 120 I HN 0.253 nan 8.210 nan 0.000 0.414 121 E N 1.135 121.324 120.200 -0.018 0.000 2.077 121 E HA -0.133 4.195 4.350 -0.036 0.000 0.193 121 E C 2.287 178.865 176.600 -0.037 0.000 0.989 121 E CA 1.042 57.428 56.400 -0.023 0.000 0.800 121 E CB -0.131 29.559 29.700 -0.016 0.000 0.746 121 E HN 0.239 nan 8.360 nan 0.000 0.452 122 V N -0.022 119.870 119.914 -0.037 0.000 2.427 122 V HA -0.173 3.926 4.120 -0.036 0.000 0.248 122 V C 2.269 178.320 176.094 -0.073 0.000 1.051 122 V CA 1.824 64.089 62.300 -0.057 0.000 1.048 122 V CB -1.061 30.735 31.823 -0.045 0.000 0.666 122 V HN 0.462 nan 8.190 nan 0.000 0.456 123 G N -0.338 108.430 108.800 -0.053 0.000 2.440 123 G HA2 -0.333 3.605 3.960 -0.036 0.000 0.218 123 G HA3 -0.333 3.605 3.960 -0.036 0.000 0.218 123 G C 1.351 176.217 174.900 -0.056 0.000 1.154 123 G CA 1.158 46.227 45.100 -0.052 0.000 0.767 123 G HN 0.530 nan 8.290 nan 0.000 0.552 124 D N -0.089 120.282 120.400 -0.048 0.000 2.144 124 D HA -0.079 4.540 4.640 -0.036 0.000 0.200 124 D C 2.670 178.933 176.300 -0.061 0.000 0.978 124 D CA 0.628 54.600 54.000 -0.045 0.000 0.833 124 D CB -0.179 40.600 40.800 -0.034 0.000 0.961 124 D HN 0.153 nan 8.370 nan 0.000 0.470 125 V N 0.499 120.366 119.914 -0.079 0.000 2.295 125 V HA -0.200 3.898 4.120 -0.036 0.000 0.246 125 V C 2.553 178.559 176.094 -0.147 0.000 1.049 125 V CA 1.197 63.433 62.300 -0.107 0.000 1.024 125 V CB -0.420 31.328 31.823 -0.125 0.000 0.648 125 V HN 0.289 nan 8.190 nan 0.000 0.447 126 L N 0.451 121.574 121.223 -0.165 0.000 2.456 126 L HA -0.005 4.313 4.340 -0.036 0.000 0.224 126 L C 2.423 179.226 176.870 -0.112 0.000 1.148 126 L CA 1.056 55.784 54.840 -0.187 0.000 0.825 126 L CB -0.855 41.099 42.059 -0.175 0.000 0.937 126 L HN 0.463 nan 8.230 nan 0.000 0.450 127 G N -0.384 108.368 108.800 -0.080 0.000 2.484 127 G HA2 -0.151 3.788 3.960 -0.036 0.000 0.218 127 G HA3 -0.151 3.788 3.960 -0.036 0.000 0.218 127 G C 1.838 176.712 174.900 -0.044 0.000 1.130 127 G CA 0.211 45.280 45.100 -0.052 0.000 0.784 127 G HN 0.310 nan 8.290 nan 0.000 0.543 128 R N -0.838 119.630 120.500 -0.054 0.000 2.257 128 R HA 0.128 4.446 4.340 -0.036 0.000 0.195 128 R C 2.461 178.743 176.300 -0.030 0.000 0.921 128 R CA 0.751 56.829 56.100 -0.036 0.000 1.069 128 R CB 0.201 30.482 30.300 -0.031 0.000 1.115 128 R HN 0.325 nan 8.270 nan 0.000 0.571 129 V N -1.213 118.661 119.914 -0.066 0.000 3.406 129 V HA 0.127 4.226 4.120 -0.036 0.000 0.263 129 V C 1.412 177.512 176.094 0.011 0.000 1.172 129 V CA 0.957 63.236 62.300 -0.035 0.000 1.140 129 V CB -0.233 31.512 31.823 -0.130 0.000 0.784 129 V HN 0.136 nan 8.190 nan 0.000 0.467 130 L N 0.600 121.804 121.223 -0.033 0.000 2.675 130 L HA 0.138 4.456 4.340 -0.036 0.000 0.239 130 L C 1.660 178.551 176.870 0.035 0.000 1.151 130 L CA 0.426 55.274 54.840 0.015 0.000 0.905 130 L CB -0.528 41.518 42.059 -0.021 0.000 1.057 130 L HN 0.350 nan 8.230 nan 0.000 0.435 131 D N 0.532 120.953 120.400 0.034 0.000 2.347 131 D HA -0.021 4.598 4.640 -0.036 0.000 0.215 131 D C 1.710 178.037 176.300 0.044 0.000 0.976 131 D CA 1.110 55.129 54.000 0.032 0.000 0.884 131 D CB 0.558 41.371 40.800 0.022 0.000 0.915 131 D HN 0.442 nan 8.370 nan 0.000 0.526 132 G N 1.577 110.421 108.800 0.073 0.000 2.176 132 G HA2 -0.257 3.681 3.960 -0.036 0.000 0.253 132 G HA3 -0.257 3.681 3.960 -0.036 0.000 0.253 132 G C 0.189 175.121 174.900 0.053 0.000 0.979 132 G CA -0.035 45.107 45.100 0.071 0.000 0.641 132 G HN 0.329 nan 8.290 nan 0.000 0.530 133 E N -0.280 119.952 120.200 0.054 0.000 2.371 133 E HA 0.428 4.757 4.350 -0.036 0.000 0.257 133 E C 0.648 177.275 176.600 0.045 0.000 1.134 133 E CA -0.577 55.846 56.400 0.038 0.000 0.919 133 E CB 1.408 31.127 29.700 0.031 0.000 1.025 133 E HN 0.092 nan 8.360 nan 0.000 0.438 134 V N 2.023 121.951 119.914 0.024 0.000 2.458 134 V HA -0.066 4.032 4.120 -0.036 0.000 0.287 134 V C 0.203 176.317 176.094 0.032 0.000 1.009 134 V CA -0.052 62.257 62.300 0.015 0.000 1.091 134 V CB -0.054 31.768 31.823 -0.001 0.000 0.960 134 V HN 0.675 nan 8.190 nan 0.000 0.476 135 C N 5.465 124.795 119.300 0.050 0.000 2.379 135 C HA 0.500 4.939 4.460 -0.036 0.000 0.323 135 C C -0.084 174.932 174.990 0.042 0.000 1.262 135 C CA -0.878 58.184 59.018 0.073 0.000 1.581 135 C CB 1.115 28.955 27.740 0.167 0.000 2.221 135 C HN 0.905 nan 8.230 nan 0.000 0.497 136 D N 3.653 124.067 120.400 0.024 0.000 2.402 136 D HA 0.357 4.975 4.640 -0.036 0.000 0.235 136 D C 0.999 177.305 176.300 0.009 0.000 1.226 136 D CA 0.360 54.360 54.000 -0.001 0.000 0.918 136 D CB 1.397 42.194 40.800 -0.006 0.000 1.043 136 D HN 0.766 nan 8.370 nan 0.000 0.506 137 A N 3.801 126.624 122.820 0.004 0.000 2.019 137 A HA -0.062 4.236 4.320 -0.036 0.000 0.219 137 A C 2.067 179.630 177.584 -0.036 0.000 1.164 137 A CA 1.576 53.621 52.037 0.014 0.000 0.644 137 A CB -0.306 18.700 19.000 0.010 0.000 0.805 137 A HN 0.602 nan 8.150 nan 0.000 0.449 138 A N -0.649 122.136 122.820 -0.058 0.000 2.067 138 A HA 0.015 4.313 4.320 -0.036 0.000 0.219 138 A C 2.190 179.780 177.584 0.011 0.000 1.158 138 A CA 2.217 54.242 52.037 -0.020 0.000 0.661 138 A CB -0.636 18.379 19.000 0.026 0.000 0.801 138 A HN 0.726 nan 8.150 nan 0.000 0.452 139 T N -5.178 109.375 114.554 -0.000 0.000 2.964 139 T HA 0.494 4.823 4.350 -0.036 0.000 0.249 139 T C 1.684 176.371 174.700 -0.021 0.000 1.000 139 T CA 0.821 62.918 62.100 -0.005 0.000 0.992 139 T CB 0.060 68.928 68.868 -0.001 0.000 1.087 139 T HN 0.401 nan 8.240 nan 0.000 0.489 140 A N 0.489 123.302 122.820 -0.012 0.000 2.115 140 A HA 0.581 4.879 4.320 -0.036 0.000 0.211 140 A C 1.877 179.448 177.584 -0.021 0.000 1.169 140 A CA 0.256 52.284 52.037 -0.016 0.000 0.787 140 A CB -0.277 18.723 19.000 -0.001 0.000 0.858 140 A HN 0.532 nan 8.150 nan 0.000 0.474 141 I N -2.453 118.109 120.570 -0.013 0.000 3.650 141 I HA 0.161 4.309 4.170 -0.036 0.000 0.261 141 I C 2.513 178.618 176.117 -0.020 0.000 1.154 141 I CA 0.605 61.894 61.300 -0.018 0.000 1.418 141 I CB -0.697 37.305 38.000 0.003 0.000 1.539 141 I HN 0.221 nan 8.210 nan 0.000 0.449 142 G N 3.169 111.956 108.800 -0.022 0.000 2.599 142 G HA2 -0.210 3.729 3.960 -0.036 0.000 0.219 142 G HA3 -0.210 3.729 3.960 -0.036 0.000 0.219 142 G C -0.833 174.041 174.900 -0.044 0.000 1.193 142 G CA 1.443 46.523 45.100 -0.033 0.000 0.778 142 G HN 0.287 nan 8.290 nan 0.000 0.589 143 P HA 0.109 nan 4.420 nan 0.000 0.224 143 P C 1.857 179.141 177.300 -0.027 0.000 1.157 143 P CA 0.514 63.590 63.100 -0.041 0.000 0.799 143 P CB 0.088 31.769 31.700 -0.032 0.000 0.809 144 R N -0.503 119.979 120.500 -0.029 0.000 2.070 144 R HA -0.083 4.236 4.340 -0.036 0.000 0.233 144 R C 2.098 178.388 176.300 -0.017 0.000 1.137 144 R CA 1.343 57.427 56.100 -0.027 0.000 0.945 144 R CB -1.036 29.245 30.300 -0.033 0.000 0.845 144 R HN 0.151 nan 8.270 nan 0.000 0.430 145 I N 0.617 121.179 120.570 -0.015 0.000 2.127 145 I HA -0.192 3.956 4.170 -0.036 0.000 0.241 145 I C -1.041 175.077 176.117 0.001 0.000 1.075 145 I CA 1.616 62.912 61.300 -0.006 0.000 1.334 145 I CB -0.995 37.004 38.000 -0.002 0.000 1.040 145 I HN 0.113 nan 8.210 nan 0.000 0.405 146 P HA -0.110 nan 4.420 nan 0.000 0.218 146 P C 1.450 178.756 177.300 0.010 0.000 1.149 146 P CA 1.722 64.823 63.100 0.001 0.000 0.817 146 P CB -0.072 31.620 31.700 -0.014 0.000 0.785 147 A N 0.162 122.990 122.820 0.012 0.000 1.898 147 A HA -0.057 4.242 4.320 -0.036 0.000 0.216 147 A C 2.324 179.925 177.584 0.029 0.000 1.181 147 A CA 1.930 53.984 52.037 0.029 0.000 0.620 147 A CB -1.567 17.445 19.000 0.020 0.000 0.819 147 A HN 0.183 nan 8.150 nan 0.000 0.442 148 A N -0.488 122.341 122.820 0.015 0.000 1.902 148 A HA -0.015 4.284 4.320 -0.036 0.000 0.217 148 A C 2.231 179.828 177.584 0.021 0.000 1.181 148 A CA 1.818 53.863 52.037 0.015 0.000 0.623 148 A CB -0.948 18.055 19.000 0.004 0.000 0.818 148 A HN 0.376 nan 8.150 nan 0.000 0.443 149 V N -0.445 119.480 119.914 0.019 0.000 2.295 149 V HA -0.231 3.868 4.120 -0.036 0.000 0.246 149 V C 2.574 178.683 176.094 0.025 0.000 1.049 149 V CA 2.015 64.326 62.300 0.018 0.000 1.024 149 V CB -0.742 31.090 31.823 0.014 0.000 0.648 149 V HN 0.371 nan 8.190 nan 0.000 0.447 150 V N -1.121 118.814 119.914 0.035 0.000 2.407 150 V HA -0.293 3.806 4.120 -0.036 0.000 0.248 150 V C 2.548 178.686 176.094 0.072 0.000 1.055 150 V CA 2.125 64.456 62.300 0.051 0.000 1.049 150 V CB -0.712 31.155 31.823 0.072 0.000 0.662 150 V HN 0.655 nan 8.190 nan 0.000 0.455 151 C N -0.322 119.027 119.300 0.080 0.000 2.398 151 C HA -0.224 4.215 4.460 -0.036 0.000 0.276 151 C C 2.773 177.806 174.990 0.071 0.000 1.222 151 C CA 1.691 60.765 59.018 0.094 0.000 1.746 151 C CB -0.866 26.915 27.740 0.069 0.000 2.039 151 C HN 0.670 nan 8.230 nan 0.000 0.470 152 E N 0.230 120.457 120.200 0.045 0.000 2.106 152 E HA -0.143 4.185 4.350 -0.036 0.000 0.192 152 E C 1.893 178.505 176.600 0.020 0.000 0.984 152 E CA 1.003 57.421 56.400 0.031 0.000 0.806 152 E CB -0.103 29.609 29.700 0.020 0.000 0.750 152 E HN 0.623 nan 8.360 nan 0.000 0.458 153 I N 0.483 121.062 120.570 0.015 0.000 2.226 153 I HA -0.274 3.875 4.170 -0.036 0.000 0.245 153 I C 2.000 178.108 176.117 -0.016 0.000 1.100 153 I CA 0.940 62.238 61.300 -0.004 0.000 1.374 153 I CB -0.060 37.934 38.000 -0.009 0.000 1.057 153 I HN 0.160 nan 8.210 nan 0.000 0.413 154 L N 0.372 121.592 121.223 -0.006 0.000 2.552 154 L HA 0.112 4.430 4.340 -0.036 0.000 0.227 154 L C 1.476 178.348 176.870 0.004 0.000 1.146 154 L CA 0.605 55.424 54.840 -0.035 0.000 0.858 154 L CB -0.458 41.581 42.059 -0.033 0.000 0.969 154 L HN 0.485 nan 8.230 nan 0.000 0.451 155 G N 0.231 109.048 108.800 0.028 0.000 2.176 155 G HA2 -0.245 3.693 3.960 -0.036 0.000 0.252 155 G HA3 -0.245 3.693 3.960 -0.036 0.000 0.252 155 G C 0.192 175.140 174.900 0.080 0.000 1.024 155 G CA 0.058 45.180 45.100 0.038 0.000 0.755 155 G HN 0.092 nan 8.290 nan 0.000 0.507 156 V N 2.609 122.597 119.914 0.123 0.000 2.485 156 V HA 0.258 4.356 4.120 -0.036 0.000 0.287 156 V C -0.570 175.597 176.094 0.122 0.000 1.022 156 V CA -0.609 61.802 62.300 0.185 0.000 1.067 156 V CB 0.656 32.602 31.823 0.204 0.000 0.967 156 V HN 0.377 nan 8.190 nan 0.000 0.479 157 P HA 0.149 nan 4.420 nan 0.000 0.272 157 P C 0.687 178.027 177.300 0.066 0.000 1.223 157 P CA -0.109 63.042 63.100 0.084 0.000 0.784 157 P CB 1.009 32.761 31.700 0.087 0.000 0.923 158 A N 2.765 125.612 122.820 0.044 0.000 1.927 158 A HA -0.270 4.028 4.320 -0.036 0.000 0.220 158 A C 1.862 179.461 177.584 0.026 0.000 1.185 158 A CA 2.193 54.248 52.037 0.030 0.000 0.639 158 A CB -1.345 17.668 19.000 0.022 0.000 0.820 158 A HN 0.618 nan 8.150 nan 0.000 0.451 159 E N 0.311 120.531 120.200 0.034 0.000 2.267 159 E HA -0.131 4.198 4.350 -0.036 0.000 0.197 159 E C 0.809 177.424 176.600 0.024 0.000 0.998 159 E CA 1.354 57.772 56.400 0.030 0.000 0.830 159 E CB -0.154 29.570 29.700 0.040 0.000 0.751 159 E HN 0.623 nan 8.360 nan 0.000 0.491 160 D N -0.287 120.130 120.400 0.029 0.000 2.407 160 D HA 0.033 4.651 4.640 -0.036 0.000 0.208 160 D C 1.157 177.409 176.300 -0.080 0.000 1.083 160 D CA 0.061 54.046 54.000 -0.025 0.000 0.844 160 D CB 0.157 40.978 40.800 0.035 0.000 0.967 160 D HN 0.227 nan 8.370 nan 0.000 0.506 161 E N 0.934 121.118 120.200 -0.026 0.000 2.031 161 E HA -0.166 4.162 4.350 -0.036 0.000 0.193 161 E C 1.123 177.698 176.600 -0.042 0.000 0.994 161 E CA 0.989 57.374 56.400 -0.025 0.000 0.800 161 E CB 0.153 29.853 29.700 0.001 0.000 0.752 161 E HN 0.145 nan 8.360 nan 0.000 0.447 162 D N 0.454 120.835 120.400 -0.031 0.000 2.123 162 D HA -0.197 4.421 4.640 -0.036 0.000 0.196 162 D C 1.867 178.147 176.300 -0.034 0.000 0.992 162 D CA 0.974 54.958 54.000 -0.026 0.000 0.833 162 D CB -0.265 40.529 40.800 -0.011 0.000 0.954 162 D HN 0.142 nan 8.370 nan 0.000 0.455 163 M N 0.010 119.579 119.600 -0.052 0.000 2.065 163 M HA -0.160 4.298 4.480 -0.036 0.000 0.259 163 M C 2.051 178.292 176.300 -0.098 0.000 1.069 163 M CA 1.336 56.598 55.300 -0.062 0.000 1.110 163 M CB -0.075 32.463 32.600 -0.103 0.000 1.328 163 M HN 0.006 nan 8.290 nan 0.000 0.405 164 L N 0.095 121.219 121.223 -0.165 0.000 2.093 164 L HA -0.210 4.109 4.340 -0.036 0.000 0.208 164 L C 2.347 179.168 176.870 -0.081 0.000 1.085 164 L CA 1.140 55.882 54.840 -0.163 0.000 0.755 164 L CB -0.487 41.459 42.059 -0.188 0.000 0.904 164 L HN 0.415 nan 8.230 nan 0.000 0.435 165 I N -0.333 120.201 120.570 -0.060 0.000 2.252 165 I HA -0.294 3.854 4.170 -0.036 0.000 0.245 165 I C 2.069 178.137 176.117 -0.082 0.000 1.102 165 I CA 1.148 62.420 61.300 -0.047 0.000 1.385 165 I CB -0.320 37.658 38.000 -0.037 0.000 1.064 165 I HN 0.232 nan 8.210 nan 0.000 0.414 166 D N 0.859 121.197 120.400 -0.103 0.000 2.117 166 D HA -0.139 4.480 4.640 -0.036 0.000 0.197 166 D C 2.335 178.496 176.300 -0.232 0.000 0.987 166 D CA 1.281 55.153 54.000 -0.215 0.000 0.829 166 D CB -0.253 40.468 40.800 -0.132 0.000 0.961 166 D HN 0.272 nan 8.370 nan 0.000 0.460 167 L N 0.409 121.584 121.223 -0.081 0.000 2.056 167 L HA -0.137 4.182 4.340 -0.036 0.000 0.207 167 L C 2.482 179.296 176.870 -0.093 0.000 1.078 167 L CA 1.126 55.945 54.840 -0.036 0.000 0.749 167 L CB -0.612 41.424 42.059 -0.037 0.000 0.901 167 L HN 0.018 nan 8.230 nan 0.000 0.433 168 T N -0.662 113.841 114.554 -0.085 0.000 2.708 168 T HA -0.189 4.140 4.350 -0.036 0.000 0.266 168 T C 1.779 176.471 174.700 -0.013 0.000 1.037 168 T CA 1.526 63.605 62.100 -0.037 0.000 1.146 168 T CB -0.343 68.561 68.868 0.059 0.000 0.865 168 T HN 0.261 nan 8.240 nan 0.000 0.435 169 N N 0.929 119.603 118.700 -0.044 0.000 2.061 169 N HA -0.184 4.534 4.740 -0.036 0.000 0.193 169 N C 1.776 177.260 175.510 -0.043 0.000 1.030 169 N CA 1.866 54.888 53.050 -0.047 0.000 0.856 169 N CB -0.530 37.884 38.487 -0.121 0.000 1.023 169 N HN 0.490 nan 8.380 nan 0.000 0.424 170 H N -0.069 118.873 119.070 -0.214 0.000 2.395 170 H HA 0.218 4.751 4.556 -0.037 0.000 0.299 170 H C 1.789 177.014 175.328 -0.172 0.000 1.070 170 H CA 1.689 57.635 56.048 -0.171 0.000 1.356 170 H CB -0.447 29.223 29.762 -0.154 0.000 1.401 170 H HN 0.307 nan 8.280 nan 0.000 0.524 171 A N -0.351 122.264 122.820 -0.342 0.000 1.978 171 A HA -0.103 4.196 4.320 -0.036 0.000 0.220 171 A C 1.009 178.089 177.584 -0.840 0.000 1.170 171 A CA 1.480 53.096 52.037 -0.701 0.000 0.636 171 A CB -0.523 17.825 19.000 -1.088 0.000 0.810 171 A HN 0.414 nan 8.150 nan 0.000 0.448 172 F N -1.161 118.738 119.950 -0.085 0.000 2.764 172 F HA 0.411 4.918 4.527 -0.035 0.000 0.310 172 F C 1.323 177.126 175.800 0.005 0.000 1.124 172 F CA -0.463 57.519 58.000 -0.030 0.000 1.252 172 F CB -0.123 38.860 39.000 -0.029 0.000 1.010 172 F HN 0.192 nan 8.300 nan 0.000 0.518 173 G N -0.077 108.753 108.800 0.050 0.000 2.695 173 G HA2 0.442 4.381 3.960 -0.036 0.000 0.213 173 G HA3 0.442 4.381 3.960 -0.036 0.000 0.213 173 G C 0.303 175.233 174.900 0.050 0.000 1.406 173 G CA -0.405 44.737 45.100 0.069 0.000 1.049 173 G HN 0.257 nan 8.290 nan 0.000 0.573 174 G N -0.809 108.020 108.800 0.049 0.000 2.265 174 G HA2 0.257 4.196 3.960 -0.036 0.000 0.240 174 G HA3 0.257 4.196 3.960 -0.036 0.000 0.240 174 G C 0.545 175.445 174.900 -0.001 0.000 1.270 174 G CA 0.147 45.274 45.100 0.044 0.000 0.901 174 G HN 0.483 nan 8.290 nan 0.000 0.507 175 E N 1.196 121.407 120.200 0.019 0.000 2.106 175 E HA -0.046 4.283 4.350 -0.036 0.000 0.192 175 E C 1.389 177.992 176.600 0.005 0.000 0.984 175 E CA 1.221 57.623 56.400 0.004 0.000 0.806 175 E CB 0.215 29.932 29.700 0.028 0.000 0.750 175 E HN 0.515 nan 8.360 nan 0.000 0.458 176 D N 0.181 120.597 120.400 0.026 0.000 2.340 176 D HA 0.066 4.684 4.640 -0.036 0.000 0.217 176 D C -0.063 176.274 176.300 0.061 0.000 1.081 176 D CA 0.155 54.177 54.000 0.037 0.000 0.842 176 D CB 0.167 40.987 40.800 0.034 0.000 0.934 176 D HN 0.199 nan 8.370 nan 0.000 0.511 177 E N 0.265 120.514 120.200 0.081 0.000 2.280 177 E HA 0.519 4.848 4.350 -0.036 0.000 0.264 177 E C -0.152 176.615 176.600 0.279 0.000 1.064 177 E CA -0.543 55.947 56.400 0.150 0.000 0.900 177 E CB 1.857 31.653 29.700 0.160 0.000 1.123 177 E HN -0.008 nan 8.360 nan 0.000 0.418 178 L N 1.603 122.986 121.223 0.266 0.000 2.370 178 L HA 0.544 4.862 4.340 -0.036 0.000 0.266 178 L C -0.989 175.916 176.870 0.058 0.000 1.002 178 L CA -0.905 54.066 54.840 0.219 0.000 0.818 178 L CB 1.547 43.665 42.059 0.098 0.000 1.325 178 L HN 0.494 nan 8.230 nan 0.000 0.418 179 F N 2.519 122.207 119.950 -0.436 0.000 2.612 179 F HA 0.354 4.860 4.527 -0.035 0.000 0.332 179 F C -0.338 175.287 175.800 -0.293 0.000 1.167 179 F CA -0.496 57.207 58.000 -0.495 0.000 0.970 179 F CB 0.988 39.434 39.000 -0.924 0.000 1.234 179 F HN 0.586 nan 8.300 nan 0.000 0.453 180 D N 4.539 124.516 120.400 -0.705 0.000 2.708 180 D HA -0.182 4.436 4.640 -0.036 0.000 0.236 180 D C 1.165 177.285 176.300 -0.299 0.000 1.146 180 D CA 1.857 55.513 54.000 -0.572 0.000 0.662 180 D CB -1.210 39.097 40.800 -0.822 0.000 1.059 180 D HN 1.346 nan 8.370 nan 0.000 0.428 181 G N -1.341 107.349 108.800 -0.183 0.000 2.155 181 G HA2 -0.356 3.583 3.960 -0.036 0.000 0.257 181 G HA3 -0.356 3.583 3.960 -0.036 0.000 0.257 181 G C 0.344 175.218 174.900 -0.043 0.000 0.983 181 G CA 0.699 45.746 45.100 -0.089 0.000 0.676 181 G HN 0.458 nan 8.290 nan 0.000 0.528 182 M N 1.398 120.974 119.600 -0.039 0.000 2.404 182 M HA 0.456 4.915 4.480 -0.036 0.000 0.338 182 M C 1.054 177.499 176.300 0.241 0.000 1.150 182 M CA -0.241 55.098 55.300 0.065 0.000 1.016 182 M CB 1.717 34.358 32.600 0.068 0.000 1.672 182 M HN 0.345 nan 8.290 nan 0.000 0.448 183 T N -0.890 113.787 114.554 0.204 0.000 2.849 183 T HA 0.318 4.646 4.350 -0.036 0.000 0.284 183 T C -2.232 172.545 174.700 0.129 0.000 1.004 183 T CA -1.571 60.647 62.100 0.196 0.000 1.021 183 T CB 0.664 69.577 68.868 0.074 0.000 1.013 183 T HN 0.349 nan 8.240 nan 0.000 0.527 184 P HA -0.087 nan 4.420 nan 0.000 0.215 184 P C 1.698 178.925 177.300 -0.121 0.000 1.153 184 P CA 0.982 63.865 63.100 -0.362 0.000 0.853 184 P CB 0.015 31.503 31.700 -0.354 0.000 0.788 185 R N -0.014 120.461 120.500 -0.043 0.000 2.091 185 R HA -0.191 4.127 4.340 -0.036 0.000 0.238 185 R C 2.283 178.598 176.300 0.025 0.000 1.136 185 R CA 1.667 57.769 56.100 0.002 0.000 0.959 185 R CB -0.484 29.817 30.300 0.001 0.000 0.856 185 R HN 0.218 nan 8.270 nan 0.000 0.437 186 Q N -0.602 119.222 119.800 0.041 0.000 2.079 186 Q HA -0.111 4.208 4.340 -0.036 0.000 0.200 186 Q C 2.118 178.157 176.000 0.066 0.000 0.974 186 Q CA 1.548 57.383 55.803 0.053 0.000 0.840 186 Q CB -0.056 28.721 28.738 0.064 0.000 0.898 186 Q HN 0.462 nan 8.270 nan 0.000 0.430 187 A N 0.051 122.931 122.820 0.099 0.000 1.933 187 A HA -0.242 4.057 4.320 -0.036 0.000 0.218 187 A C 1.686 179.270 177.584 0.001 0.000 1.175 187 A CA 1.692 53.780 52.037 0.084 0.000 0.628 187 A CB -0.805 18.300 19.000 0.175 0.000 0.814 187 A HN 0.488 nan 8.150 nan 0.000 0.444 188 H N -0.699 118.282 119.070 -0.149 0.000 2.321 188 H HA -0.113 4.421 4.556 -0.036 0.000 0.300 188 H C 2.239 177.503 175.328 -0.106 0.000 1.087 188 H CA 1.810 57.748 56.048 -0.183 0.000 1.319 188 H CB 0.139 29.784 29.762 -0.195 0.000 1.379 188 H HN 0.455 nan 8.280 nan 0.000 0.501 189 T N -0.002 114.605 114.554 0.088 0.000 2.746 189 T HA -0.172 4.157 4.350 -0.036 0.000 0.267 189 T C 1.779 176.489 174.700 0.018 0.000 1.039 189 T CA 1.528 63.644 62.100 0.027 0.000 1.142 189 T CB -0.222 68.650 68.868 0.007 0.000 0.866 189 T HN 0.339 nan 8.240 nan 0.000 0.444 190 E N 0.891 121.099 120.200 0.013 0.000 2.118 190 E HA -0.062 4.266 4.350 -0.036 0.000 0.195 190 E C 1.922 178.500 176.600 -0.036 0.000 0.992 190 E CA 0.891 57.292 56.400 0.002 0.000 0.804 190 E CB -0.452 29.253 29.700 0.008 0.000 0.741 190 E HN 0.552 nan 8.360 nan 0.000 0.458 191 I N -0.369 120.133 120.570 -0.114 0.000 2.252 191 I HA -0.233 3.915 4.170 -0.036 0.000 0.245 191 I C 1.727 177.562 176.117 -0.470 0.000 1.102 191 I CA 0.416 61.522 61.300 -0.323 0.000 1.385 191 I CB -0.187 37.560 38.000 -0.420 0.000 1.064 191 I HN 0.152 nan 8.210 nan 0.000 0.414 192 L N 0.083 121.177 121.223 -0.215 0.000 2.083 192 L HA -0.152 4.167 4.340 -0.036 0.000 0.209 192 L C 2.460 179.359 176.870 0.048 0.000 1.083 192 L CA 1.499 56.314 54.840 -0.042 0.000 0.752 192 L CB -0.903 41.197 42.059 0.069 0.000 0.899 192 L HN 0.050 nan 8.230 nan 0.000 0.433 193 V N -1.614 118.321 119.914 0.034 0.000 2.343 193 V HA -0.333 3.765 4.120 -0.036 0.000 0.247 193 V C 2.262 178.414 176.094 0.097 0.000 1.051 193 V CA 1.691 64.029 62.300 0.064 0.000 1.036 193 V CB -0.801 31.055 31.823 0.054 0.000 0.654 193 V HN 0.449 nan 8.190 nan 0.000 0.451 194 Y N -0.016 120.270 120.300 -0.023 0.000 2.224 194 Y HA -0.225 4.299 4.550 -0.043 0.000 0.289 194 Y C 2.232 178.238 175.900 0.178 0.000 1.146 194 Y CA 1.477 59.595 58.100 0.029 0.000 1.182 194 Y CB -0.295 38.148 38.460 -0.029 0.000 0.983 194 Y HN 0.198 nan 8.280 nan 0.000 0.524 195 F N 0.524 120.515 119.950 0.068 0.000 2.171 195 F HA -0.158 4.363 4.527 -0.010 0.000 0.300 195 F C 2.337 178.095 175.800 -0.071 0.000 1.090 195 F CA 1.522 59.518 58.000 -0.007 0.000 1.293 195 F CB -1.337 37.711 39.000 0.081 0.000 1.013 195 F HN 0.208 nan 8.300 nan 0.000 0.486 196 D N 0.001 120.494 120.400 0.155 0.000 2.144 196 D HA -0.170 4.448 4.640 -0.036 0.000 0.199 196 D C 1.938 178.233 176.300 -0.010 0.000 0.984 196 D CA 1.412 55.449 54.000 0.062 0.000 0.834 196 D CB -0.059 40.775 40.800 0.058 0.000 0.955 196 D HN 0.330 nan 8.370 nan 0.000 0.465 197 E N -0.390 119.771 120.200 -0.064 0.000 2.150 197 E HA -0.105 4.223 4.350 -0.036 0.000 0.193 197 E C 2.296 178.791 176.600 -0.174 0.000 0.985 197 E CA 0.394 56.720 56.400 -0.122 0.000 0.814 197 E CB 0.004 29.610 29.700 -0.158 0.000 0.752 197 E HN 0.387 nan 8.360 nan 0.000 0.466 198 L N 0.617 121.696 121.223 -0.241 0.000 2.056 198 L HA -0.178 4.140 4.340 -0.036 0.000 0.207 198 L C 2.432 179.247 176.870 -0.092 0.000 1.078 198 L CA 0.916 55.646 54.840 -0.184 0.000 0.749 198 L CB -0.327 41.634 42.059 -0.164 0.000 0.901 198 L HN 0.166 nan 8.230 nan 0.000 0.433 199 I N -0.380 120.154 120.570 -0.061 0.000 2.163 199 I HA -0.327 3.821 4.170 -0.036 0.000 0.243 199 I C 2.476 178.572 176.117 -0.034 0.000 1.085 199 I CA 1.817 63.093 61.300 -0.040 0.000 1.347 199 I CB -0.527 37.464 38.000 -0.016 0.000 1.044 199 I HN 0.289 nan 8.210 nan 0.000 0.408 200 T N 0.550 115.084 114.554 -0.033 0.000 2.746 200 T HA -0.122 4.206 4.350 -0.036 0.000 0.267 200 T C 2.010 176.693 174.700 -0.028 0.000 1.039 200 T CA 1.340 63.424 62.100 -0.026 0.000 1.142 200 T CB -0.339 68.516 68.868 -0.022 0.000 0.866 200 T HN 0.480 nan 8.240 nan 0.000 0.444 201 A N 1.692 124.488 122.820 -0.040 0.000 1.968 201 A HA -0.034 4.265 4.320 -0.036 0.000 0.217 201 A C 2.360 179.927 177.584 -0.028 0.000 1.169 201 A CA 0.832 52.849 52.037 -0.034 0.000 0.638 201 A CB -0.242 18.732 19.000 -0.044 0.000 0.812 201 A HN 0.156 nan 8.150 nan 0.000 0.446 202 R N -0.232 120.248 120.500 -0.034 0.000 2.193 202 R HA 0.074 4.392 4.340 -0.036 0.000 0.213 202 R C 1.969 178.255 176.300 -0.024 0.000 1.055 202 R CA 0.591 56.673 56.100 -0.029 0.000 0.995 202 R CB -0.520 29.757 30.300 -0.038 0.000 0.893 202 R HN 0.550 nan 8.270 nan 0.000 0.459 203 R N 1.081 121.568 120.500 -0.022 0.000 2.115 203 R HA -0.113 4.206 4.340 -0.036 0.000 0.230 203 R C 2.008 178.300 176.300 -0.014 0.000 1.111 203 R CA 1.566 57.656 56.100 -0.017 0.000 0.976 203 R CB 0.033 30.323 30.300 -0.015 0.000 0.870 203 R HN 0.312 nan 8.270 nan 0.000 0.445 204 K N -0.090 120.303 120.400 -0.013 0.000 2.308 204 K HA 0.068 4.366 4.320 -0.036 0.000 0.197 204 K C 0.223 176.818 176.600 -0.009 0.000 1.049 204 K CA 0.605 56.887 56.287 -0.010 0.000 0.991 204 K CB 0.538 33.033 32.500 -0.008 0.000 0.836 204 K HN -0.035 nan 8.250 nan 0.000 0.500 205 E N 2.340 122.534 120.200 -0.010 0.000 3.108 205 E HA 0.263 4.591 4.350 -0.036 0.000 0.228 205 E C -2.661 173.932 176.600 -0.011 0.000 1.176 205 E CA -2.195 54.200 56.400 -0.009 0.000 0.881 205 E CB 1.615 31.312 29.700 -0.006 0.000 1.354 205 E HN 0.178 nan 8.360 nan 0.000 0.400 206 P HA 0.204 nan 4.420 nan 0.000 0.278 206 P C 0.068 177.360 177.300 -0.013 0.000 1.238 206 P CA -0.150 62.941 63.100 -0.015 0.000 0.794 206 P CB 1.556 33.246 31.700 -0.016 0.000 0.955 207 G N 0.713 109.505 108.800 -0.015 0.000 3.252 207 G HA2 0.244 4.182 3.960 -0.036 0.000 0.181 207 G HA3 0.244 4.182 3.960 -0.036 0.000 0.181 207 G C -0.351 174.540 174.900 -0.015 0.000 1.187 207 G CA -0.329 44.764 45.100 -0.012 0.000 0.886 207 G HN 0.355 nan 8.290 nan 0.000 0.615 208 D N 0.698 121.090 120.400 -0.014 0.000 2.395 208 D HA 0.100 4.718 4.640 -0.036 0.000 0.213 208 D C 0.238 176.526 176.300 -0.020 0.000 1.110 208 D CA -0.029 53.961 54.000 -0.016 0.000 0.835 208 D CB 0.464 41.256 40.800 -0.013 0.000 0.965 208 D HN 0.503 nan 8.370 nan 0.000 0.505 209 D N 0.406 120.793 120.400 -0.022 0.000 2.414 209 D HA -0.040 4.578 4.640 -0.036 0.000 0.251 209 D C 1.488 177.763 176.300 -0.043 0.000 1.252 209 D CA -0.621 53.362 54.000 -0.028 0.000 0.999 209 D CB 1.915 42.702 40.800 -0.023 0.000 1.093 209 D HN -0.119 nan 8.370 nan 0.000 0.515 210 L N 0.903 122.092 121.223 -0.057 0.000 2.017 210 L HA -0.175 4.144 4.340 -0.036 0.000 0.208 210 L C 2.273 179.088 176.870 -0.091 0.000 1.073 210 L CA 1.412 56.207 54.840 -0.076 0.000 0.745 210 L CB -0.421 41.581 42.059 -0.094 0.000 0.894 210 L HN 0.430 nan 8.230 nan 0.000 0.432 211 V N -0.816 119.031 119.914 -0.111 0.000 2.287 211 V HA -0.298 3.801 4.120 -0.036 0.000 0.248 211 V C 2.588 178.638 176.094 -0.072 0.000 1.053 211 V CA 1.971 64.204 62.300 -0.113 0.000 1.027 211 V CB -1.039 30.709 31.823 -0.125 0.000 0.646 211 V HN 0.514 nan 8.190 nan 0.000 0.447 212 S N -0.106 115.561 115.700 -0.056 0.000 2.359 212 S HA -0.232 4.216 4.470 -0.036 0.000 0.224 212 S C 2.091 176.668 174.600 -0.039 0.000 1.035 212 S CA 2.088 60.263 58.200 -0.041 0.000 1.018 212 S CB -0.531 62.651 63.200 -0.032 0.000 0.876 212 S HN 0.718 nan 8.310 nan 0.000 0.448 213 T N 2.743 117.271 114.554 -0.042 0.000 2.746 213 T HA 0.005 4.333 4.350 -0.036 0.000 0.267 213 T C 1.746 176.422 174.700 -0.040 0.000 1.039 213 T CA 1.046 63.122 62.100 -0.039 0.000 1.142 213 T CB -0.399 68.444 68.868 -0.042 0.000 0.866 213 T HN 0.256 nan 8.240 nan 0.000 0.444 214 L N 1.249 122.443 121.223 -0.048 0.000 2.109 214 L HA -0.036 4.283 4.340 -0.036 0.000 0.207 214 L C 2.820 179.669 176.870 -0.035 0.000 1.086 214 L CA 0.835 55.649 54.840 -0.044 0.000 0.760 214 L CB -0.714 41.313 42.059 -0.054 0.000 0.910 214 L HN 0.247 nan 8.230 nan 0.000 0.437 215 V N -3.586 116.306 119.914 -0.036 0.000 2.591 215 V HA -0.138 3.960 4.120 -0.036 0.000 0.249 215 V C 2.392 178.472 176.094 -0.023 0.000 1.053 215 V CA 1.718 64.001 62.300 -0.028 0.000 1.068 215 V CB -1.377 30.429 31.823 -0.030 0.000 0.689 215 V HN 0.560 nan 8.190 nan 0.000 0.462 216 T N -2.620 111.920 114.554 -0.024 0.000 3.113 216 T HA -0.039 4.290 4.350 -0.036 0.000 0.263 216 T C 0.788 175.477 174.700 -0.019 0.000 1.143 216 T CA 0.715 62.803 62.100 -0.020 0.000 1.090 216 T CB -0.634 68.222 68.868 -0.021 0.000 0.922 216 T HN 0.607 nan 8.240 nan 0.000 0.521 217 D N 2.630 123.017 120.400 -0.021 0.000 2.325 217 D HA 0.047 4.665 4.640 -0.036 0.000 0.251 217 D C 0.282 176.573 176.300 -0.016 0.000 1.196 217 D CA -0.166 53.822 54.000 -0.019 0.000 0.866 217 D CB 1.206 41.993 40.800 -0.023 0.000 1.101 217 D HN 0.338 nan 8.370 nan 0.000 0.476 218 D N 2.284 122.676 120.400 -0.013 0.000 2.269 218 D HA -0.201 4.418 4.640 -0.036 0.000 0.208 218 D C 0.961 177.255 176.300 -0.009 0.000 0.963 218 D CA 0.725 54.718 54.000 -0.011 0.000 0.864 218 D CB -0.100 40.694 40.800 -0.010 0.000 0.936 218 D HN 0.512 nan 8.370 nan 0.000 0.505 219 D N -0.146 120.249 120.400 -0.010 0.000 2.333 219 D HA 0.009 4.627 4.640 -0.036 0.000 0.208 219 D C 0.654 176.950 176.300 -0.006 0.000 0.984 219 D CA -0.162 53.834 54.000 -0.007 0.000 0.873 219 D CB -0.218 40.577 40.800 -0.007 0.000 0.935 219 D HN 0.184 nan 8.370 nan 0.000 0.521 220 L N 1.502 122.720 121.223 -0.008 0.000 2.367 220 L HA 0.259 4.577 4.340 -0.036 0.000 0.275 220 L C 0.332 177.199 176.870 -0.004 0.000 1.129 220 L CA -0.361 54.475 54.840 -0.007 0.000 0.839 220 L CB 1.185 43.237 42.059 -0.011 0.000 1.133 220 L HN 0.010 nan 8.230 nan 0.000 0.453 221 T N 2.549 117.102 114.554 -0.001 0.000 2.849 221 T HA 0.069 4.397 4.350 -0.036 0.000 0.284 221 T C 1.237 175.939 174.700 0.003 0.000 1.004 221 T CA -0.561 61.540 62.100 0.002 0.000 1.021 221 T CB 1.551 70.422 68.868 0.005 0.000 1.013 221 T HN 0.516 nan 8.240 nan 0.000 0.527 222 I N 1.055 121.628 120.570 0.006 0.000 2.194 222 I HA -0.218 3.931 4.170 -0.036 0.000 0.246 222 I C 1.741 177.868 176.117 0.017 0.000 1.093 222 I CA 1.877 63.182 61.300 0.009 0.000 1.355 222 I CB -0.360 37.646 38.000 0.011 0.000 1.046 222 I HN 0.565 nan 8.210 nan 0.000 0.413 223 D N 0.368 120.779 120.400 0.018 0.000 2.144 223 D HA -0.179 4.439 4.640 -0.036 0.000 0.199 223 D C 1.738 178.052 176.300 0.024 0.000 0.984 223 D CA 1.623 55.638 54.000 0.024 0.000 0.834 223 D CB -0.305 40.507 40.800 0.020 0.000 0.955 223 D HN 0.455 nan 8.370 nan 0.000 0.465 224 D N -0.023 120.386 120.400 0.015 0.000 2.178 224 D HA -0.088 4.531 4.640 -0.036 0.000 0.202 224 D C 2.230 178.535 176.300 0.008 0.000 0.974 224 D CA 0.249 54.256 54.000 0.011 0.000 0.841 224 D CB 0.054 40.857 40.800 0.005 0.000 0.953 224 D HN 0.018 nan 8.370 nan 0.000 0.478 225 V N 0.519 120.435 119.914 0.004 0.000 2.307 225 V HA -0.186 3.912 4.120 -0.036 0.000 0.245 225 V C 2.320 178.414 176.094 0.001 0.000 1.045 225 V CA 1.036 63.331 62.300 -0.009 0.000 1.024 225 V CB -0.421 31.393 31.823 -0.016 0.000 0.651 225 V HN 0.183 nan 8.190 nan 0.000 0.449 226 L N -0.332 120.912 121.223 0.034 0.000 2.017 226 L HA -0.147 4.172 4.340 -0.036 0.000 0.208 226 L C 2.204 179.141 176.870 0.111 0.000 1.073 226 L CA 1.903 56.796 54.840 0.089 0.000 0.745 226 L CB -0.527 41.596 42.059 0.106 0.000 0.894 226 L HN 0.198 nan 8.230 nan 0.000 0.432 227 L N -0.481 120.788 121.223 0.078 0.000 2.083 227 L HA -0.200 4.118 4.340 -0.036 0.000 0.209 227 L C 2.215 179.127 176.870 0.071 0.000 1.083 227 L CA 1.149 56.036 54.840 0.079 0.000 0.752 227 L CB -0.650 41.436 42.059 0.046 0.000 0.899 227 L HN 0.407 nan 8.230 nan 0.000 0.433 228 N N -0.997 117.725 118.700 0.037 0.000 2.376 228 N HA -0.088 4.631 4.740 -0.036 0.000 0.177 228 N C 1.854 177.363 175.510 -0.003 0.000 1.024 228 N CA 1.064 54.124 53.050 0.016 0.000 0.893 228 N CB -0.078 38.405 38.487 -0.005 0.000 0.980 228 N HN 0.372 nan 8.380 nan 0.000 0.439 229 C N 0.742 120.023 119.300 -0.032 0.000 2.425 229 C HA -0.086 4.352 4.460 -0.036 0.000 0.277 229 C C 2.464 177.494 174.990 0.067 0.000 1.280 229 C CA 0.382 59.320 59.018 -0.134 0.000 1.744 229 C CB -0.834 26.676 27.740 -0.385 0.000 1.989 229 C HN 0.425 nan 8.230 nan 0.000 0.491 230 D N 0.513 121.045 120.400 0.219 0.000 2.144 230 D HA -0.122 4.497 4.640 -0.036 0.000 0.200 230 D C 1.905 178.341 176.300 0.226 0.000 0.978 230 D CA 1.139 55.343 54.000 0.340 0.000 0.833 230 D CB -0.603 40.391 40.800 0.324 0.000 0.961 230 D HN 0.559 nan 8.370 nan 0.000 0.470 231 N N -1.005 117.773 118.700 0.129 0.000 2.104 231 N HA -0.147 4.571 4.740 -0.036 0.000 0.190 231 N C 1.727 177.267 175.510 0.049 0.000 1.024 231 N CA 1.151 54.246 53.050 0.075 0.000 0.853 231 N CB 0.209 38.723 38.487 0.046 0.000 1.008 231 N HN -0.009 nan 8.380 nan 0.000 0.424 232 V N 0.899 120.839 119.914 0.043 0.000 2.379 232 V HA -0.162 3.937 4.120 -0.036 0.000 0.245 232 V C 2.186 178.308 176.094 0.047 0.000 1.044 232 V CA 1.037 63.349 62.300 0.020 0.000 1.036 232 V CB -0.520 31.296 31.823 -0.012 0.000 0.664 232 V HN 0.356 nan 8.190 nan 0.000 0.453 233 L N 0.178 121.484 121.223 0.138 0.000 1.970 233 L HA -0.172 4.146 4.340 -0.036 0.000 0.212 233 L C 2.201 179.084 176.870 0.022 0.000 1.071 233 L CA 2.111 57.072 54.840 0.202 0.000 0.751 233 L CB -0.459 41.855 42.059 0.425 0.000 0.889 233 L HN 0.208 nan 8.230 nan 0.000 0.432 234 I N -0.458 120.113 120.570 0.003 0.000 2.142 234 I HA -0.218 3.930 4.170 -0.036 0.000 0.240 234 I C 2.542 178.473 176.117 -0.310 0.000 1.078 234 I CA 1.442 62.565 61.300 -0.295 0.000 1.343 234 I CB -1.251 36.748 38.000 -0.002 0.000 1.046 234 I HN 0.438 nan 8.210 nan 0.000 0.405 235 G N 0.368 109.094 108.800 -0.123 0.000 2.440 235 G HA2 -0.213 3.726 3.960 -0.036 0.000 0.218 235 G HA3 -0.213 3.726 3.960 -0.036 0.000 0.218 235 G C 1.680 176.524 174.900 -0.092 0.000 1.154 235 G CA 0.903 45.949 45.100 -0.090 0.000 0.767 235 G HN 0.527 nan 8.290 nan 0.000 0.552 236 G N -0.491 108.260 108.800 -0.083 0.000 2.572 236 G HA2 -0.035 3.904 3.960 -0.036 0.000 0.216 236 G HA3 -0.035 3.904 3.960 -0.036 0.000 0.216 236 G C 1.553 176.400 174.900 -0.087 0.000 1.133 236 G CA 0.772 45.838 45.100 -0.056 0.000 0.791 236 G HN 0.421 nan 8.290 nan 0.000 0.538 237 N N -0.450 118.132 118.700 -0.196 0.000 2.594 237 N HA 0.009 4.728 4.740 -0.036 0.000 0.237 237 N C 1.755 177.071 175.510 -0.324 0.000 1.057 237 N CA 0.219 53.134 53.050 -0.225 0.000 0.883 237 N CB 0.245 38.626 38.487 -0.177 0.000 1.538 237 N HN 0.349 nan 8.380 nan 0.000 0.451 238 E N 0.904 120.757 120.200 -0.579 0.000 2.085 238 E HA -0.152 4.177 4.350 -0.036 0.000 0.194 238 E C 1.539 178.076 176.600 -0.106 0.000 0.994 238 E CA 1.965 58.105 56.400 -0.433 0.000 0.801 238 E CB 0.218 29.605 29.700 -0.522 0.000 0.743 238 E HN 0.430 nan 8.360 nan 0.000 0.453 239 T N -2.786 111.722 114.554 -0.077 0.000 2.901 239 T HA -0.007 4.322 4.350 -0.036 0.000 0.252 239 T C 2.022 176.744 174.700 0.038 0.000 1.035 239 T CA 1.120 63.251 62.100 0.052 0.000 1.142 239 T CB -0.569 68.314 68.868 0.025 0.000 0.869 239 T HN -0.011 nan 8.240 nan 0.000 0.442 240 T N 2.977 117.522 114.554 -0.015 0.000 2.759 240 T HA -0.131 4.197 4.350 -0.036 0.000 0.269 240 T C 2.127 176.817 174.700 -0.017 0.000 1.042 240 T CA 1.625 63.733 62.100 0.014 0.000 1.140 240 T CB -0.401 68.475 68.868 0.013 0.000 0.864 240 T HN 0.663 nan 8.240 nan 0.000 0.455 241 R N 1.024 121.447 120.500 -0.129 0.000 2.105 241 R HA -0.162 4.156 4.340 -0.036 0.000 0.239 241 R C 1.979 178.197 176.300 -0.138 0.000 1.135 241 R CA 1.752 57.741 56.100 -0.186 0.000 0.967 241 R CB -0.793 29.325 30.300 -0.303 0.000 0.861 241 R HN 0.470 nan 8.270 nan 0.000 0.442 242 H N 0.515 119.674 119.070 0.150 0.000 2.482 242 H HA 0.212 4.748 4.556 -0.034 0.000 0.286 242 H C 2.208 177.697 175.328 0.269 0.000 1.017 242 H CA 1.083 57.298 56.048 0.278 0.000 1.322 242 H CB -0.025 29.918 29.762 0.302 0.000 1.426 242 H HN 0.440 nan 8.280 nan 0.000 0.546 243 A N 1.666 124.640 122.820 0.256 0.000 1.898 243 A HA -0.091 4.207 4.320 -0.036 0.000 0.216 243 A C 2.354 180.046 177.584 0.179 0.000 1.181 243 A CA 0.947 53.109 52.037 0.208 0.000 0.620 243 A CB -0.361 18.721 19.000 0.136 0.000 0.819 243 A HN 0.133 nan 8.150 nan 0.000 0.442 244 I N 0.238 120.878 120.570 0.116 0.000 2.202 244 I HA -0.168 3.981 4.170 -0.036 0.000 0.242 244 I C 2.495 178.645 176.117 0.054 0.000 1.091 244 I CA 2.022 63.369 61.300 0.078 0.000 1.368 244 I CB -2.060 35.963 38.000 0.038 0.000 1.058 244 I HN 0.241 nan 8.210 nan 0.000 0.410 245 T N 0.976 115.529 114.554 -0.001 0.000 2.746 245 T HA -0.104 4.224 4.350 -0.036 0.000 0.267 245 T C 1.980 176.545 174.700 -0.225 0.000 1.039 245 T CA 1.482 63.470 62.100 -0.187 0.000 1.142 245 T CB -0.774 67.870 68.868 -0.374 0.000 0.866 245 T HN 0.533 nan 8.240 nan 0.000 0.444 246 G N 1.130 109.952 108.800 0.037 0.000 2.422 246 G HA2 -0.060 3.878 3.960 -0.036 0.000 0.218 246 G HA3 -0.060 3.878 3.960 -0.036 0.000 0.218 246 G C 1.822 176.962 174.900 0.399 0.000 1.146 246 G CA 0.903 46.231 45.100 0.380 0.000 0.769 246 G HN 0.587 nan 8.290 nan 0.000 0.547 247 A N 0.203 123.173 122.820 0.251 0.000 1.902 247 A HA 0.048 4.346 4.320 -0.036 0.000 0.217 247 A C 2.615 180.264 177.584 0.109 0.000 1.181 247 A CA 1.898 54.042 52.037 0.178 0.000 0.623 247 A CB -0.666 18.421 19.000 0.144 0.000 0.818 247 A HN 0.269 nan 8.150 nan 0.000 0.443 248 V N -0.341 119.636 119.914 0.104 0.000 2.343 248 V HA -0.309 3.789 4.120 -0.036 0.000 0.247 248 V C 2.441 178.587 176.094 0.085 0.000 1.051 248 V CA 2.249 64.604 62.300 0.091 0.000 1.036 248 V CB -1.116 30.768 31.823 0.102 0.000 0.654 248 V HN 0.815 nan 8.190 nan 0.000 0.451 249 H N 0.086 119.160 119.070 0.006 0.000 2.352 249 H HA -0.187 4.347 4.556 -0.037 0.000 0.299 249 H C 2.267 177.661 175.328 0.110 0.000 1.097 249 H CA 1.407 57.509 56.048 0.090 0.000 1.311 249 H CB 0.185 30.078 29.762 0.217 0.000 1.377 249 H HN 0.439 nan 8.280 nan 0.000 0.504 250 A N 1.086 123.909 122.820 0.005 0.000 1.877 250 A HA -0.115 4.184 4.320 -0.036 0.000 0.216 250 A C 2.552 179.868 177.584 -0.447 0.000 1.186 250 A CA 1.147 52.854 52.037 -0.550 0.000 0.620 250 A CB -0.786 17.683 19.000 -0.884 0.000 0.822 250 A HN 0.430 nan 8.150 nan 0.000 0.443 251 L N -0.960 120.127 121.223 -0.227 0.000 2.191 251 L HA -0.165 4.153 4.340 -0.036 0.000 0.212 251 L C 2.833 179.625 176.870 -0.130 0.000 1.103 251 L CA 0.899 55.646 54.840 -0.154 0.000 0.769 251 L CB -0.383 41.646 42.059 -0.050 0.000 0.908 251 L HN 0.461 nan 8.230 nan 0.000 0.438 252 A N -0.592 122.162 122.820 -0.110 0.000 2.081 252 A HA -0.054 4.244 4.320 -0.036 0.000 0.214 252 A C 2.177 179.713 177.584 -0.081 0.000 1.158 252 A CA 1.424 53.410 52.037 -0.086 0.000 0.724 252 A CB -0.307 18.663 19.000 -0.050 0.000 0.826 252 A HN 0.457 nan 8.150 nan 0.000 0.463 253 T N -4.330 110.143 114.554 -0.135 0.000 2.955 253 T HA 0.299 4.627 4.350 -0.036 0.000 0.251 253 T C 0.175 174.768 174.700 -0.179 0.000 1.002 253 T CA 0.154 62.178 62.100 -0.126 0.000 0.970 253 T CB -0.115 68.683 68.868 -0.117 0.000 1.091 253 T HN -0.066 nan 8.240 nan 0.000 0.495 254 V N 4.401 124.142 119.914 -0.288 0.000 2.408 254 V HA 0.366 4.464 4.120 -0.036 0.000 0.267 254 V C -2.463 173.531 176.094 -0.167 0.000 1.047 254 V CA -1.953 60.176 62.300 -0.286 0.000 0.937 254 V CB 0.654 32.172 31.823 -0.509 0.000 0.999 254 V HN 0.257 nan 8.190 nan 0.000 0.472 255 P HA 0.303 nan 4.420 nan 0.000 0.271 255 P C 0.989 178.257 177.300 -0.052 0.000 1.233 255 P CA 0.933 63.995 63.100 -0.063 0.000 0.764 255 P CB 0.736 32.412 31.700 -0.040 0.000 0.825 256 G N 2.557 111.330 108.800 -0.046 0.000 2.217 256 G HA2 -0.335 3.603 3.960 -0.036 0.000 0.246 256 G HA3 -0.335 3.603 3.960 -0.036 0.000 0.246 256 G C 0.709 175.591 174.900 -0.030 0.000 0.990 256 G CA 0.282 45.365 45.100 -0.029 0.000 0.627 256 G HN 0.547 nan 8.290 nan 0.000 0.522 257 L N 0.473 121.663 121.223 -0.054 0.000 1.989 257 L HA 0.188 4.506 4.340 -0.036 0.000 0.211 257 L C 2.539 179.389 176.870 -0.032 0.000 1.071 257 L CA 3.001 57.811 54.840 -0.050 0.000 0.749 257 L CB -0.549 41.432 42.059 -0.129 0.000 0.890 257 L HN 0.403 nan 8.230 nan 0.000 0.431 258 L N -0.992 120.206 121.223 -0.042 0.000 2.093 258 L HA -0.149 4.170 4.340 -0.036 0.000 0.208 258 L C 2.299 179.167 176.870 -0.003 0.000 1.085 258 L CA 2.378 57.208 54.840 -0.017 0.000 0.755 258 L CB -0.990 41.059 42.059 -0.016 0.000 0.904 258 L HN 0.404 nan 8.230 nan 0.000 0.435 259 T N -0.606 113.943 114.554 -0.007 0.000 2.857 259 T HA -0.053 4.276 4.350 -0.036 0.000 0.266 259 T C 1.902 176.604 174.700 0.004 0.000 1.048 259 T CA 1.050 63.150 62.100 -0.001 0.000 1.139 259 T CB -0.478 68.388 68.868 -0.004 0.000 0.874 259 T HN 0.451 nan 8.240 nan 0.000 0.455 260 A N 1.155 123.977 122.820 0.003 0.000 1.969 260 A HA 0.111 4.409 4.320 -0.036 0.000 0.218 260 A C 2.251 179.844 177.584 0.016 0.000 1.169 260 A CA 0.959 53.002 52.037 0.010 0.000 0.635 260 A CB -0.753 18.255 19.000 0.012 0.000 0.810 260 A HN 0.461 nan 8.150 nan 0.000 0.445 261 L N -1.376 119.858 121.223 0.017 0.000 2.109 261 L HA -0.078 4.240 4.340 -0.036 0.000 0.207 261 L C 2.724 179.607 176.870 0.020 0.000 1.086 261 L CA 1.441 56.296 54.840 0.024 0.000 0.760 261 L CB -0.324 41.751 42.059 0.027 0.000 0.910 261 L HN 0.439 nan 8.230 nan 0.000 0.437 262 R N 0.592 121.101 120.500 0.016 0.000 2.062 262 R HA -0.173 4.145 4.340 -0.036 0.000 0.229 262 R C 1.899 178.207 176.300 0.013 0.000 1.128 262 R CA 1.909 58.018 56.100 0.015 0.000 0.960 262 R CB -0.083 30.225 30.300 0.013 0.000 0.855 262 R HN 0.492 nan 8.270 nan 0.000 0.432 263 D N -1.974 118.433 120.400 0.012 0.000 2.289 263 D HA 0.057 4.676 4.640 -0.036 0.000 0.207 263 D C 1.122 177.429 176.300 0.012 0.000 0.966 263 D CA 1.056 55.062 54.000 0.011 0.000 0.868 263 D CB 0.190 40.996 40.800 0.009 0.000 0.943 263 D HN 0.417 nan 8.370 nan 0.000 0.514 264 G N -0.389 108.419 108.800 0.014 0.000 2.168 264 G HA2 -0.292 3.646 3.960 -0.036 0.000 0.197 264 G HA3 -0.292 3.646 3.960 -0.036 0.000 0.197 264 G C 1.107 176.017 174.900 0.016 0.000 0.997 264 G CA 0.618 45.728 45.100 0.016 0.000 0.658 264 G HN 0.626 nan 8.290 nan 0.000 0.513 265 S N -0.729 114.980 115.700 0.015 0.000 2.489 265 S HA 0.610 5.059 4.470 -0.036 0.000 0.228 265 S C 1.186 175.797 174.600 0.019 0.000 0.995 265 S CA 1.306 59.514 58.200 0.015 0.000 0.934 265 S CB 0.391 63.599 63.200 0.012 0.000 0.771 265 S HN 1.898 nan 8.310 nan 0.000 0.522 266 A N 1.470 124.304 122.820 0.023 0.000 2.288 266 A HA 0.595 4.893 4.320 -0.036 0.000 0.320 266 A C -0.774 176.831 177.584 0.034 0.000 1.217 266 A CA -0.631 51.425 52.037 0.031 0.000 0.840 266 A CB 0.701 19.725 19.000 0.040 0.000 1.179 266 A HN 0.266 nan 8.150 nan 0.000 0.504 267 D N 2.417 122.838 120.400 0.035 0.000 2.343 267 D HA 0.177 4.795 4.640 -0.036 0.000 0.255 267 D C 1.148 177.476 176.300 0.048 0.000 1.187 267 D CA 0.239 54.261 54.000 0.037 0.000 0.875 267 D CB 1.323 42.143 40.800 0.033 0.000 1.136 267 D HN 0.234 nan 8.370 nan 0.000 0.469 268 V N 4.216 124.159 119.914 0.049 0.000 2.282 268 V HA -0.254 3.845 4.120 -0.036 0.000 0.249 268 V C 1.191 177.328 176.094 0.071 0.000 1.057 268 V CA 2.172 64.508 62.300 0.060 0.000 1.032 268 V CB -0.301 31.553 31.823 0.052 0.000 0.645 268 V HN 0.627 nan 8.190 nan 0.000 0.447 269 D N -0.439 120.000 120.400 0.065 0.000 2.144 269 D HA -0.115 4.503 4.640 -0.036 0.000 0.199 269 D C 2.256 178.605 176.300 0.082 0.000 0.984 269 D CA 1.879 55.925 54.000 0.077 0.000 0.834 269 D CB -0.488 40.352 40.800 0.066 0.000 0.955 269 D HN 0.538 nan 8.370 nan 0.000 0.465 270 T N 0.421 115.013 114.554 0.065 0.000 2.821 270 T HA -0.063 4.266 4.350 -0.036 0.000 0.267 270 T C 2.261 176.987 174.700 0.043 0.000 1.046 270 T CA 0.531 62.663 62.100 0.053 0.000 1.139 270 T CB -0.183 68.706 68.868 0.035 0.000 0.871 270 T HN -0.008 nan 8.240 nan 0.000 0.454 271 V N 1.272 121.225 119.914 0.065 0.000 2.427 271 V HA -0.121 3.978 4.120 -0.036 0.000 0.248 271 V C 2.668 178.838 176.094 0.127 0.000 1.051 271 V CA 1.042 63.403 62.300 0.102 0.000 1.048 271 V CB -0.700 31.212 31.823 0.147 0.000 0.666 271 V HN 0.305 nan 8.190 nan 0.000 0.456 272 V N -0.047 119.940 119.914 0.122 0.000 2.287 272 V HA -0.241 3.857 4.120 -0.036 0.000 0.248 272 V C 2.647 178.819 176.094 0.130 0.000 1.053 272 V CA 1.971 64.354 62.300 0.139 0.000 1.027 272 V CB -0.629 31.279 31.823 0.141 0.000 0.646 272 V HN 0.547 nan 8.190 nan 0.000 0.447 273 E N -0.139 120.141 120.200 0.133 0.000 2.110 273 E HA -0.243 4.085 4.350 -0.036 0.000 0.193 273 E C 2.202 178.812 176.600 0.018 0.000 0.988 273 E CA 1.437 57.941 56.400 0.174 0.000 0.804 273 E CB -0.232 29.601 29.700 0.223 0.000 0.745 273 E HN 0.681 nan 8.360 nan 0.000 0.458 274 E N 0.626 120.777 120.200 -0.082 0.000 2.152 274 E HA -0.081 4.247 4.350 -0.036 0.000 0.192 274 E C 2.019 178.491 176.600 -0.215 0.000 0.983 274 E CA 0.471 56.670 56.400 -0.336 0.000 0.818 274 E CB -0.020 29.227 29.700 -0.754 0.000 0.758 274 E HN -0.005 nan 8.360 nan 0.000 0.467 275 V N 0.621 120.594 119.914 0.098 0.000 2.343 275 V HA -0.252 3.846 4.120 -0.036 0.000 0.247 275 V C 2.389 178.595 176.094 0.186 0.000 1.051 275 V CA 1.678 64.202 62.300 0.372 0.000 1.036 275 V CB -0.491 31.537 31.823 0.342 0.000 0.654 275 V HN 0.296 nan 8.190 nan 0.000 0.451 276 L N -0.413 120.783 121.223 -0.046 0.000 2.017 276 L HA -0.188 4.130 4.340 -0.036 0.000 0.208 276 L C 2.752 179.353 176.870 -0.448 0.000 1.073 276 L CA 1.947 56.601 54.840 -0.311 0.000 0.745 276 L CB -0.624 41.112 42.059 -0.537 0.000 0.894 276 L HN 0.247 nan 8.230 nan 0.000 0.432 277 R N -0.662 119.544 120.500 -0.491 0.000 2.073 277 R HA -0.242 4.076 4.340 -0.036 0.000 0.234 277 R C 2.295 178.517 176.300 -0.130 0.000 1.134 277 R CA 1.980 57.863 56.100 -0.362 0.000 0.952 277 R CB -0.482 29.625 30.300 -0.321 0.000 0.850 277 R HN 0.380 nan 8.270 nan 0.000 0.433 278 W N 1.461 122.643 121.300 -0.197 0.000 2.358 278 W HA -0.165 4.472 4.660 -0.038 0.000 0.303 278 W C 2.222 178.763 176.519 0.037 0.000 1.208 278 W CA 2.475 59.788 57.345 -0.052 0.000 1.274 278 W CB -0.462 29.073 29.460 0.125 0.000 1.138 278 W HN 0.246 nan 8.180 nan 0.000 0.515 279 T N -3.109 111.503 114.554 0.096 0.000 2.976 279 T HA 0.040 4.368 4.350 -0.036 0.000 0.257 279 T C 1.125 175.798 174.700 -0.044 0.000 1.051 279 T CA 0.699 62.802 62.100 0.004 0.000 1.141 279 T CB -0.844 68.141 68.868 0.194 0.000 0.881 279 T HN -0.039 nan 8.240 nan 0.000 0.461 280 S N 3.051 118.700 115.700 -0.086 0.000 3.247 280 S HA -0.076 4.372 4.470 -0.036 0.000 0.341 280 S C -1.617 172.930 174.600 -0.088 0.000 0.924 280 S CA 0.440 58.564 58.200 -0.127 0.000 1.323 280 S CB -1.074 62.042 63.200 -0.139 0.000 0.918 280 S HN 0.509 nan 8.310 nan 0.000 0.523 281 P HA -0.002 nan 4.420 nan 0.000 0.217 281 P C 0.569 177.859 177.300 -0.017 0.000 1.150 281 P CA 1.390 64.504 63.100 0.024 0.000 0.832 281 P CB 0.167 31.932 31.700 0.108 0.000 0.787 282 A N -0.267 122.514 122.820 -0.065 0.000 2.410 282 A HA 0.194 4.492 4.320 -0.036 0.000 0.292 282 A C 1.259 178.757 177.584 -0.142 0.000 1.232 282 A CA -0.163 51.809 52.037 -0.107 0.000 0.893 282 A CB -0.726 18.201 19.000 -0.120 0.000 1.131 282 A HN 0.074 nan 8.150 nan 0.000 0.530 283 M N 2.614 122.141 119.600 -0.123 0.000 2.254 283 M HA 0.012 4.470 4.480 -0.036 0.000 0.265 283 M C 0.632 176.845 176.300 -0.145 0.000 1.066 283 M CA 1.350 56.605 55.300 -0.076 0.000 1.123 283 M CB -0.016 32.622 32.600 0.063 0.000 1.388 283 M HN 0.932 nan 8.290 nan 0.000 0.425 284 H N -1.930 116.894 119.070 -0.409 0.000 3.042 284 H HA 0.529 5.065 4.556 -0.033 0.000 0.346 284 H C -1.808 173.244 175.328 -0.460 0.000 1.294 284 H CA -1.030 54.618 56.048 -0.667 0.000 1.141 284 H CB 0.915 29.865 29.762 -1.353 0.000 1.872 284 H HN -0.019 nan 8.280 nan 0.000 0.541 285 V N 0.819 120.456 119.914 -0.462 0.000 2.656 285 V HA 0.626 4.724 4.120 -0.036 0.000 0.307 285 V C -0.592 175.365 176.094 -0.228 0.000 1.051 285 V CA -0.975 61.106 62.300 -0.366 0.000 0.893 285 V CB 1.674 33.352 31.823 -0.241 0.000 0.999 285 V HN 0.758 nan 8.190 nan 0.000 0.426 286 L N 4.372 125.497 121.223 -0.163 0.000 2.331 286 L HA 0.844 5.163 4.340 -0.036 0.000 0.275 286 L C -0.281 176.552 176.870 -0.062 0.000 1.022 286 L CA -0.469 54.313 54.840 -0.096 0.000 0.812 286 L CB 1.426 43.447 42.059 -0.064 0.000 1.257 286 L HN 0.781 nan 8.230 nan 0.000 0.435 287 R N 3.201 123.695 120.500 -0.010 0.000 2.837 287 R HA 0.652 4.971 4.340 -0.036 0.000 0.271 287 R C -1.618 174.740 176.300 0.097 0.000 0.993 287 R CA -0.799 55.314 56.100 0.022 0.000 0.931 287 R CB 2.179 32.486 30.300 0.011 0.000 1.206 287 R HN 0.430 nan 8.270 nan 0.000 0.474 288 V N 1.315 121.310 119.914 0.134 0.000 2.495 288 V HA 0.294 4.392 4.120 -0.036 0.000 0.298 288 V C 0.436 176.635 176.094 0.175 0.000 1.031 288 V CA -0.864 61.557 62.300 0.201 0.000 0.871 288 V CB 1.878 33.901 31.823 0.333 0.000 0.988 288 V HN 0.944 nan 8.190 nan 0.000 0.432 289 T N 0.383 115.031 114.554 0.157 0.000 2.930 289 T HA 0.134 4.463 4.350 -0.036 0.000 0.306 289 T C 1.092 175.872 174.700 0.134 0.000 1.045 289 T CA 0.353 62.526 62.100 0.122 0.000 1.134 289 T CB 1.006 69.935 68.868 0.101 0.000 0.961 289 T HN 0.929 nan 8.240 nan 0.000 0.545 290 T N -0.930 113.689 114.554 0.108 0.000 3.014 290 T HA 0.573 4.902 4.350 -0.036 0.000 0.250 290 T C 0.671 175.421 174.700 0.084 0.000 1.060 290 T CA 0.056 62.223 62.100 0.112 0.000 1.040 290 T CB 0.123 69.050 68.868 0.097 0.000 0.971 290 T HN 1.087 nan 8.240 nan 0.000 0.497 291 A N 0.803 123.663 122.820 0.066 0.000 2.533 291 A HA 0.625 4.923 4.320 -0.036 0.000 0.293 291 A C -1.686 175.920 177.584 0.037 0.000 1.228 291 A CA -0.912 51.154 52.037 0.048 0.000 0.689 291 A CB 0.613 19.636 19.000 0.038 0.000 1.303 291 A HN 0.183 nan 8.150 nan 0.000 0.444 292 D N 1.014 121.429 120.400 0.025 0.000 2.371 292 D HA 0.438 5.056 4.640 -0.036 0.000 0.256 292 D C -0.495 175.807 176.300 0.003 0.000 1.193 292 D CA 0.668 54.675 54.000 0.012 0.000 0.881 292 D CB 0.963 41.767 40.800 0.007 0.000 1.143 292 D HN 0.293 nan 8.370 nan 0.000 0.473 293 V N 1.869 121.778 119.914 -0.008 0.000 2.925 293 V HA 0.395 4.494 4.120 -0.036 0.000 0.311 293 V C 0.190 176.256 176.094 -0.047 0.000 1.104 293 V CA -0.887 61.402 62.300 -0.018 0.000 0.954 293 V CB 2.443 34.262 31.823 -0.007 0.000 1.022 293 V HN 0.404 nan 8.190 nan 0.000 0.427 294 T N 5.429 119.955 114.554 -0.047 0.000 2.756 294 T HA 0.606 4.935 4.350 -0.036 0.000 0.290 294 T C -0.489 174.169 174.700 -0.070 0.000 0.985 294 T CA -0.174 61.884 62.100 -0.070 0.000 0.955 294 T CB 0.371 69.207 68.868 -0.053 0.000 0.930 294 T HN 0.326 nan 8.240 nan 0.000 0.451 295 I N 3.829 124.334 120.570 -0.109 0.000 2.410 295 I HA 0.335 4.483 4.170 -0.036 0.000 0.286 295 I C 0.185 176.244 176.117 -0.097 0.000 1.009 295 I CA -0.763 60.485 61.300 -0.087 0.000 1.111 295 I CB 1.105 39.056 38.000 -0.081 0.000 1.262 295 I HN 0.614 nan 8.210 nan 0.000 0.443 296 N N 4.992 123.667 118.700 -0.042 0.000 2.721 296 N HA -0.208 4.511 4.740 -0.036 0.000 0.249 296 N C 1.064 176.554 175.510 -0.033 0.000 1.072 296 N CA 1.408 54.449 53.050 -0.014 0.000 0.710 296 N CB -1.008 37.496 38.487 0.028 0.000 0.993 296 N HN 1.122 nan 8.380 nan 0.000 0.547 297 G N -2.048 106.721 108.800 -0.051 0.000 2.199 297 G HA2 -0.343 3.595 3.960 -0.036 0.000 0.254 297 G HA3 -0.343 3.595 3.960 -0.036 0.000 0.254 297 G C -0.052 174.793 174.900 -0.092 0.000 0.982 297 G CA 0.314 45.383 45.100 -0.050 0.000 0.632 297 G HN 0.385 nan 8.290 nan 0.000 0.529 298 R N 0.946 121.343 120.500 -0.171 0.000 2.294 298 R HA 0.425 4.743 4.340 -0.036 0.000 0.319 298 R C -1.184 174.962 176.300 -0.256 0.000 0.984 298 R CA -0.736 55.200 56.100 -0.273 0.000 0.861 298 R CB 1.302 31.254 30.300 -0.580 0.000 1.104 298 R HN 0.239 nan 8.270 nan 0.000 0.451 299 D N 2.897 123.190 120.400 -0.179 0.000 2.316 299 D HA 0.204 4.823 4.640 -0.036 0.000 0.245 299 D C -0.812 175.405 176.300 -0.138 0.000 1.171 299 D CA -0.352 53.570 54.000 -0.129 0.000 0.856 299 D CB 0.617 41.373 40.800 -0.074 0.000 1.090 299 D HN 0.103 nan 8.370 nan 0.000 0.476 300 L N 6.514 127.661 121.223 -0.128 0.000 2.317 300 L HA 0.517 4.835 4.340 -0.036 0.000 0.281 300 L C -1.922 174.940 176.870 -0.014 0.000 1.024 300 L CA -1.827 52.962 54.840 -0.084 0.000 0.810 300 L CB 1.692 43.685 42.059 -0.110 0.000 1.240 300 L HN 0.355 nan 8.230 nan 0.000 0.427 301 P HA 0.116 nan 4.420 nan 0.000 0.276 301 P C -0.532 176.801 177.300 0.054 0.000 1.261 301 P CA -0.594 62.526 63.100 0.033 0.000 0.800 301 P CB 0.888 32.610 31.700 0.036 0.000 1.066 302 S N -0.279 115.451 115.700 0.050 0.000 2.537 302 S HA 0.376 4.824 4.470 -0.036 0.000 0.286 302 S C 1.138 175.783 174.600 0.074 0.000 1.299 302 S CA 1.025 59.263 58.200 0.064 0.000 1.067 302 S CB -1.571 61.663 63.200 0.056 0.000 0.864 302 S HN 0.899 nan 8.310 nan 0.000 0.494 303 G N 3.529 112.387 108.800 0.097 0.000 2.164 303 G HA2 -0.181 3.757 3.960 -0.036 0.000 0.212 303 G HA3 -0.181 3.757 3.960 -0.036 0.000 0.212 303 G C -0.052 174.923 174.900 0.126 0.000 1.031 303 G CA 0.016 45.168 45.100 0.087 0.000 0.730 303 G HN 0.861 nan 8.290 nan 0.000 0.501 304 T N 1.988 116.644 114.554 0.170 0.000 2.767 304 T HA 0.571 4.900 4.350 -0.036 0.000 0.284 304 T C -2.510 172.362 174.700 0.287 0.000 0.973 304 T CA -1.157 61.097 62.100 0.258 0.000 0.996 304 T CB 2.380 71.420 68.868 0.288 0.000 0.927 304 T HN 0.078 nan 8.240 nan 0.000 0.456 305 P HA 0.361 nan 4.420 nan 0.000 0.276 305 P C -1.074 176.452 177.300 0.377 0.000 1.235 305 P CA -0.386 62.896 63.100 0.302 0.000 0.772 305 P CB 0.604 32.476 31.700 0.287 0.000 0.871 306 V N 4.649 124.720 119.914 0.263 0.000 2.577 306 V HA 0.346 4.444 4.120 -0.036 0.000 0.303 306 V C -0.093 176.070 176.094 0.115 0.000 1.042 306 V CA -0.709 61.748 62.300 0.261 0.000 0.872 306 V CB 2.416 34.354 31.823 0.192 0.000 0.998 306 V HN 0.194 nan 8.190 nan 0.000 0.423 307 V N 3.457 123.432 119.914 0.102 0.000 2.459 307 V HA 0.792 4.890 4.120 -0.036 0.000 0.295 307 V C 0.355 176.321 176.094 -0.213 0.000 1.029 307 V CA -0.522 61.690 62.300 -0.147 0.000 0.874 307 V CB 1.869 33.477 31.823 -0.358 0.000 0.985 307 V HN 1.004 nan 8.190 nan 0.000 0.438 308 A N 4.492 127.137 122.820 -0.291 0.000 2.260 308 A HA 0.632 4.931 4.320 -0.036 0.000 0.314 308 A C -1.108 176.245 177.584 -0.385 0.000 1.257 308 A CA -0.437 51.449 52.037 -0.252 0.000 0.871 308 A CB 0.223 19.133 19.000 -0.150 0.000 1.166 308 A HN 0.860 nan 8.150 nan 0.000 0.522 309 W N 4.351 125.481 121.300 -0.284 0.000 2.318 309 W HA 0.381 5.020 4.660 -0.034 0.000 0.362 309 W C 0.819 177.126 176.519 -0.353 0.000 0.978 309 W CA -0.376 56.773 57.345 -0.326 0.000 1.509 309 W CB 0.441 29.679 29.460 -0.371 0.000 1.437 309 W HN 0.660 nan 8.180 nan 0.000 0.361 310 L N 4.018 125.145 121.223 -0.161 0.000 2.079 310 L HA -0.153 4.165 4.340 -0.036 0.000 0.210 310 L C -0.368 176.396 176.870 -0.176 0.000 1.081 310 L CA 1.120 55.878 54.840 -0.137 0.000 0.752 310 L CB -1.621 40.363 42.059 -0.124 0.000 0.896 310 L HN 0.149 nan 8.230 nan 0.000 0.433 311 P HA -0.103 nan 4.420 nan 0.000 0.221 311 P C 1.446 178.563 177.300 -0.305 0.000 1.150 311 P CA 1.482 64.366 63.100 -0.360 0.000 0.800 311 P CB 0.049 31.400 31.700 -0.582 0.000 0.787 312 A N 0.265 122.800 122.820 -0.476 0.000 1.898 312 A HA -0.027 4.271 4.320 -0.036 0.000 0.216 312 A C 2.312 179.949 177.584 0.089 0.000 1.181 312 A CA 1.850 53.809 52.037 -0.131 0.000 0.620 312 A CB -1.540 17.416 19.000 -0.073 0.000 0.819 312 A HN 0.184 nan 8.150 nan 0.000 0.442 313 A N 0.179 123.050 122.820 0.086 0.000 1.969 313 A HA -0.143 4.155 4.320 -0.036 0.000 0.218 313 A C 1.674 179.461 177.584 0.339 0.000 1.169 313 A CA 1.617 53.785 52.037 0.218 0.000 0.635 313 A CB -0.518 18.572 19.000 0.150 0.000 0.810 313 A HN 0.501 nan 8.150 nan 0.000 0.445 314 N N -0.427 118.364 118.700 0.151 0.000 2.521 314 N HA 0.015 4.733 4.740 -0.036 0.000 0.188 314 N C 0.878 176.216 175.510 -0.288 0.000 1.146 314 N CA 0.499 53.517 53.050 -0.053 0.000 0.893 314 N CB 0.000 38.407 38.487 -0.134 0.000 0.975 314 N HN 0.517 nan 8.380 nan 0.000 0.451 315 R N -0.211 120.302 120.500 0.023 0.000 2.600 315 R HA 0.096 4.415 4.340 -0.036 0.000 0.392 315 R C -0.584 175.850 176.300 0.224 0.000 1.032 315 R CA -0.398 55.746 56.100 0.073 0.000 1.139 315 R CB 0.589 30.933 30.300 0.073 0.000 1.400 315 R HN -0.012 nan 8.270 nan 0.000 0.566 316 D N 2.815 123.413 120.400 0.329 0.000 2.412 316 D HA 0.005 4.623 4.640 -0.036 0.000 0.257 316 D C -1.242 175.205 176.300 0.246 0.000 1.217 316 D CA -1.884 52.283 54.000 0.277 0.000 0.897 316 D CB 1.313 42.285 40.800 0.286 0.000 1.132 316 D HN 0.010 nan 8.370 nan 0.000 0.493 317 P HA -0.104 nan 4.420 nan 0.000 0.225 317 P C 0.824 178.160 177.300 0.060 0.000 1.148 317 P CA 0.628 63.798 63.100 0.117 0.000 0.779 317 P CB 0.150 31.904 31.700 0.091 0.000 0.780 318 A N -0.250 122.598 122.820 0.047 0.000 2.119 318 A HA -0.119 4.180 4.320 -0.036 0.000 0.217 318 A C 2.181 179.707 177.584 -0.096 0.000 1.153 318 A CA 1.551 53.587 52.037 -0.003 0.000 0.692 318 A CB -0.672 18.343 19.000 0.024 0.000 0.799 318 A HN 0.147 nan 8.150 nan 0.000 0.458 319 E N -1.868 118.225 120.200 -0.177 0.000 2.391 319 E HA 0.265 4.593 4.350 -0.036 0.000 0.206 319 E C -0.720 175.442 176.600 -0.730 0.000 0.851 319 E CA 0.224 56.290 56.400 -0.557 0.000 1.059 319 E CB 0.242 29.396 29.700 -0.909 0.000 1.065 319 E HN 0.361 nan 8.360 nan 0.000 0.512 320 F N 1.787 121.703 119.950 -0.055 0.000 2.460 320 F HA 0.388 4.893 4.527 -0.037 0.000 0.341 320 F C -0.348 175.445 175.800 -0.012 0.000 1.130 320 F CA -1.319 56.660 58.000 -0.035 0.000 0.962 320 F CB 1.373 40.361 39.000 -0.019 0.000 1.171 320 F HN -0.275 nan 8.300 nan 0.000 0.436 321 D N 2.293 122.771 120.400 0.130 0.000 2.382 321 D HA 0.052 4.670 4.640 -0.036 0.000 0.245 321 D C 0.185 176.542 176.300 0.095 0.000 1.120 321 D CA 0.499 54.550 54.000 0.085 0.000 0.890 321 D CB 0.539 41.366 40.800 0.045 0.000 1.201 321 D HN 0.546 nan 8.370 nan 0.000 0.433 322 D N 1.373 121.817 120.400 0.074 0.000 2.802 322 D HA -0.145 4.473 4.640 -0.036 0.000 0.229 322 D C -1.485 174.857 176.300 0.071 0.000 1.203 322 D CA -0.089 53.949 54.000 0.063 0.000 0.712 322 D CB 0.003 40.830 40.800 0.045 0.000 0.973 322 D HN 0.255 nan 8.370 nan 0.000 0.407 323 P HA -0.080 nan 4.420 nan 0.000 0.223 323 P C 0.815 178.144 177.300 0.049 0.000 1.151 323 P CA 0.652 63.794 63.100 0.070 0.000 0.787 323 P CB 0.346 32.109 31.700 0.105 0.000 0.788 324 D N -0.564 119.874 120.400 0.064 0.000 2.348 324 D HA 0.015 4.634 4.640 -0.036 0.000 0.211 324 D C 0.343 176.727 176.300 0.140 0.000 0.998 324 D CA 0.748 54.797 54.000 0.081 0.000 0.873 324 D CB -0.052 40.782 40.800 0.057 0.000 0.925 324 D HN 0.171 nan 8.370 nan 0.000 0.524 325 T N 0.838 115.447 114.554 0.091 0.000 2.799 325 T HA 0.193 4.522 4.350 -0.036 0.000 0.286 325 T C -0.107 174.601 174.700 0.013 0.000 0.973 325 T CA -0.579 61.562 62.100 0.068 0.000 1.035 325 T CB 1.073 69.965 68.868 0.040 0.000 0.932 325 T HN -0.092 nan 8.240 nan 0.000 0.469 326 F N 4.256 124.062 119.950 -0.240 0.000 2.487 326 F HA 0.337 4.841 4.527 -0.038 0.000 0.364 326 F C -0.607 175.050 175.800 -0.238 0.000 1.126 326 F CA -0.806 56.939 58.000 -0.425 0.000 1.135 326 F CB 0.062 38.549 39.000 -0.855 0.000 1.127 326 F HN 0.294 nan 8.300 nan 0.000 0.559 327 L N 10.071 131.111 121.223 -0.305 0.000 2.264 327 L HA 0.344 4.663 4.340 -0.036 0.000 0.287 327 L C -1.630 175.109 176.870 -0.218 0.000 1.039 327 L CA -1.701 53.046 54.840 -0.155 0.000 0.829 327 L CB 1.070 43.066 42.059 -0.104 0.000 1.211 327 L HN 0.417 nan 8.230 nan 0.000 0.427 328 P HA -0.092 nan 4.420 nan 0.000 0.218 328 P C 0.999 178.290 177.300 -0.014 0.000 1.148 328 P CA 0.867 63.993 63.100 0.045 0.000 0.822 328 P CB 0.386 32.155 31.700 0.115 0.000 0.784 329 G N -0.987 107.801 108.800 -0.020 0.000 3.936 329 G HA2 0.055 3.993 3.960 -0.036 0.000 0.296 329 G HA3 0.055 3.993 3.960 -0.036 0.000 0.296 329 G C 0.036 174.926 174.900 -0.018 0.000 1.121 329 G CA -0.433 44.661 45.100 -0.010 0.000 0.899 329 G HN 0.113 nan 8.290 nan 0.000 0.542 330 R N 1.325 121.796 120.500 -0.048 0.000 2.473 330 R HA 0.211 4.530 4.340 -0.036 0.000 0.315 330 R C -0.552 175.758 176.300 0.017 0.000 0.972 330 R CA 0.653 56.739 56.100 -0.024 0.000 1.047 330 R CB 0.086 30.352 30.300 -0.057 0.000 0.932 330 R HN 0.031 nan 8.270 nan 0.000 0.411 331 K N 5.433 125.847 120.400 0.024 0.000 2.553 331 K HA 0.350 4.649 4.320 -0.036 0.000 0.250 331 K C -2.191 174.417 176.600 0.014 0.000 0.953 331 K CA -1.624 54.678 56.287 0.025 0.000 0.800 331 K CB 2.092 34.601 32.500 0.016 0.000 1.243 331 K HN 0.596 nan 8.250 nan 0.000 0.435 332 P HA 0.268 nan 4.420 nan 0.000 0.276 332 P C -0.973 176.368 177.300 0.068 0.000 1.261 332 P CA -0.536 62.570 63.100 0.009 0.000 0.800 332 P CB 0.630 32.307 31.700 -0.038 0.000 1.066 333 N N 0.633 119.399 118.700 0.110 0.000 2.750 333 N HA 0.118 4.837 4.740 -0.036 0.000 0.253 333 N C -0.537 175.109 175.510 0.226 0.000 1.408 333 N CA -0.243 52.971 53.050 0.272 0.000 0.780 333 N CB 0.228 38.856 38.487 0.234 0.000 1.191 333 N HN 0.236 nan 8.380 nan 0.000 0.511 334 R N 1.592 122.193 120.500 0.167 0.000 4.394 334 R HA 0.097 4.416 4.340 -0.036 0.000 0.257 334 R C -0.024 176.475 176.300 0.331 0.000 1.727 334 R CA -0.502 55.652 56.100 0.089 0.000 1.497 334 R CB -0.681 29.593 30.300 -0.045 0.000 1.406 334 R HN 0.546 nan 8.270 nan 0.000 0.745 335 H N -0.863 118.476 119.070 0.447 0.000 2.757 335 H HA 0.091 4.624 4.556 -0.038 0.000 0.370 335 H C 0.783 176.295 175.328 0.307 0.000 1.172 335 H CA -0.500 55.781 56.048 0.388 0.000 1.426 335 H CB 0.549 30.373 29.762 0.103 0.000 1.438 335 H HN 0.295 nan 8.280 nan 0.000 0.612 336 I N -0.949 119.867 120.570 0.410 0.000 3.531 336 I HA 0.272 4.420 4.170 -0.036 0.000 0.341 336 I C 0.351 176.589 176.117 0.202 0.000 1.550 336 I CA -0.594 60.872 61.300 0.276 0.000 1.087 336 I CB 0.327 38.397 38.000 0.117 0.000 1.408 336 I HN 0.568 nan 8.210 nan 0.000 0.484 337 T N 0.941 115.632 114.554 0.228 0.000 2.803 337 T HA -0.075 4.254 4.350 -0.036 0.000 0.269 337 T C 1.067 175.651 174.700 -0.194 0.000 1.052 337 T CA 2.056 64.079 62.100 -0.129 0.000 1.136 337 T CB -0.360 68.227 68.868 -0.469 0.000 0.864 337 T HN 0.520 nan 8.240 nan 0.000 0.467 338 F N 0.929 120.957 119.950 0.131 0.000 2.692 338 F HA 0.380 4.892 4.527 -0.025 0.000 0.303 338 F C 1.785 177.535 175.800 -0.084 0.000 1.114 338 F CA -0.215 57.749 58.000 -0.060 0.000 1.361 338 F CB -0.188 38.680 39.000 -0.220 0.000 1.063 338 F HN 0.336 nan 8.300 nan 0.000 0.550 339 G N 0.447 109.356 108.800 0.182 0.000 2.542 339 G HA2 -0.237 3.701 3.960 -0.036 0.000 0.235 339 G HA3 -0.237 3.701 3.960 -0.036 0.000 0.235 339 G C -1.214 173.908 174.900 0.371 0.000 1.286 339 G CA -0.234 44.974 45.100 0.181 0.000 0.904 339 G HN 0.514 nan 8.290 nan 0.000 0.577 340 H N -1.223 117.962 119.070 0.191 0.000 3.068 340 H HA 0.646 5.181 4.556 -0.035 0.000 0.342 340 H C 0.633 176.032 175.328 0.118 0.000 1.284 340 H CA 1.858 58.004 56.048 0.163 0.000 1.181 340 H CB 1.118 30.915 29.762 0.058 0.000 1.898 340 H HN 2.598 nan 8.280 nan 0.000 0.540 341 G N 2.051 110.592 108.800 -0.432 0.000 2.512 341 G HA2 -0.296 3.643 3.960 -0.036 0.000 0.254 341 G HA3 -0.296 3.643 3.960 -0.036 0.000 0.254 341 G C 0.726 175.568 174.900 -0.096 0.000 1.199 341 G CA 0.223 45.171 45.100 -0.252 0.000 0.941 341 G HN 0.567 nan 8.290 nan 0.000 0.569 342 M N 0.621 120.170 119.600 -0.084 0.000 2.229 342 M HA 0.036 4.494 4.480 -0.036 0.000 0.264 342 M C 1.818 178.033 176.300 -0.141 0.000 1.063 342 M CA 1.637 56.859 55.300 -0.130 0.000 1.114 342 M CB -1.165 31.283 32.600 -0.253 0.000 1.387 342 M HN 0.568 nan 8.290 nan 0.000 0.420 343 H N -1.552 117.523 119.070 0.009 0.000 2.529 343 H HA 0.101 4.634 4.556 -0.039 0.000 0.277 343 H C 0.298 175.671 175.328 0.075 0.000 1.004 343 H CA -0.124 55.949 56.048 0.041 0.000 1.167 343 H CB -0.359 29.368 29.762 -0.059 0.000 1.445 343 H HN 0.347 nan 8.280 nan 0.000 0.554 344 H N 1.284 120.400 119.070 0.077 0.000 3.140 344 H HA -0.118 4.415 4.556 -0.037 0.000 0.316 344 H C 0.101 175.461 175.328 0.053 0.000 0.986 344 H CA 0.248 56.336 56.048 0.066 0.000 1.397 344 H CB 0.462 30.228 29.762 0.005 0.000 1.377 344 H HN 0.281 nan 8.280 nan 0.000 0.585 345 C N 7.035 126.070 119.300 -0.443 0.000 2.106 345 C HA -0.141 4.298 4.460 -0.036 0.000 0.402 345 C C 2.145 176.987 174.990 -0.248 0.000 1.548 345 C CA -0.196 58.651 59.018 -0.285 0.000 1.432 345 C CB -1.919 25.682 27.740 -0.233 0.000 2.584 345 C HN 0.861 nan 8.230 nan 0.000 0.604 346 L N 6.010 127.171 121.223 -0.103 0.000 2.191 346 L HA 0.152 4.470 4.340 -0.036 0.000 0.212 346 L C 2.186 178.985 176.870 -0.118 0.000 1.103 346 L CA 2.366 57.159 54.840 -0.079 0.000 0.769 346 L CB -0.505 41.525 42.059 -0.049 0.000 0.908 346 L HN 0.890 nan 8.230 nan 0.000 0.438 347 G N -1.985 106.728 108.800 -0.145 0.000 3.371 347 G HA2 0.022 3.961 3.960 -0.036 0.000 0.248 347 G HA3 0.022 3.961 3.960 -0.036 0.000 0.248 347 G C 1.411 176.157 174.900 -0.258 0.000 1.161 347 G CA 0.543 45.558 45.100 -0.141 0.000 0.796 347 G HN 0.502 nan 8.290 nan 0.000 0.539 348 S N 0.809 116.211 115.700 -0.496 0.000 2.368 348 S HA -0.038 4.410 4.470 -0.036 0.000 0.225 348 S C 2.577 176.885 174.600 -0.487 0.000 1.030 348 S CA 1.379 58.956 58.200 -1.037 0.000 0.999 348 S CB -0.377 62.045 63.200 -1.296 0.000 0.844 348 S HN 0.449 nan 8.310 nan 0.000 0.459 349 A N 1.440 124.116 122.820 -0.239 0.000 1.972 349 A HA 0.126 4.424 4.320 -0.036 0.000 0.219 349 A C 2.228 179.782 177.584 -0.051 0.000 1.169 349 A CA 1.487 53.465 52.037 -0.098 0.000 0.635 349 A CB -0.750 18.213 19.000 -0.063 0.000 0.810 349 A HN 0.535 nan 8.150 nan 0.000 0.446 350 L N -0.486 120.699 121.223 -0.063 0.000 2.095 350 L HA 0.109 4.428 4.340 -0.036 0.000 0.204 350 L C 2.641 179.522 176.870 0.019 0.000 1.080 350 L CA 1.975 56.803 54.840 -0.020 0.000 0.759 350 L CB -0.890 41.153 42.059 -0.026 0.000 0.914 350 L HN 0.306 nan 8.230 nan 0.000 0.439 351 A N -0.209 122.629 122.820 0.030 0.000 1.908 351 A HA -0.242 4.056 4.320 -0.036 0.000 0.218 351 A C 2.435 180.127 177.584 0.179 0.000 1.181 351 A CA 1.938 54.059 52.037 0.139 0.000 0.627 351 A CB -0.577 18.599 19.000 0.295 0.000 0.818 351 A HN 0.498 nan 8.150 nan 0.000 0.445 352 R N -0.836 119.772 120.500 0.180 0.000 2.081 352 R HA -0.030 4.289 4.340 -0.036 0.000 0.235 352 R C 2.008 178.378 176.300 0.116 0.000 1.131 352 R CA 1.572 57.783 56.100 0.185 0.000 0.960 352 R CB -0.426 29.978 30.300 0.174 0.000 0.856 352 R HN 0.577 nan 8.270 nan 0.000 0.436 353 I N 0.711 121.327 120.570 0.076 0.000 2.252 353 I HA -0.226 3.922 4.170 -0.036 0.000 0.245 353 I C 2.090 178.241 176.117 0.056 0.000 1.102 353 I CA 1.265 62.598 61.300 0.056 0.000 1.385 353 I CB -0.150 37.870 38.000 0.033 0.000 1.064 353 I HN 0.225 nan 8.210 nan 0.000 0.414 354 E N 0.687 120.923 120.200 0.060 0.000 2.058 354 E HA -0.247 4.081 4.350 -0.036 0.000 0.194 354 E C 2.310 178.949 176.600 0.066 0.000 0.997 354 E CA 1.323 57.757 56.400 0.055 0.000 0.801 354 E CB -0.154 29.579 29.700 0.055 0.000 0.746 354 E HN 0.456 nan 8.360 nan 0.000 0.450 355 L N 0.496 121.774 121.223 0.091 0.000 2.083 355 L HA -0.181 4.137 4.340 -0.036 0.000 0.209 355 L C 2.710 179.634 176.870 0.089 0.000 1.083 355 L CA 0.861 55.761 54.840 0.101 0.000 0.752 355 L CB -0.348 41.790 42.059 0.132 0.000 0.899 355 L HN 0.122 nan 8.230 nan 0.000 0.433 356 S N -0.443 115.308 115.700 0.085 0.000 2.356 356 S HA -0.154 4.295 4.470 -0.036 0.000 0.223 356 S C 1.931 176.564 174.600 0.054 0.000 1.032 356 S CA 1.509 59.752 58.200 0.072 0.000 1.005 356 S CB -0.123 63.117 63.200 0.067 0.000 0.867 356 S HN 0.192 nan 8.310 nan 0.000 0.449 357 V N 1.336 121.277 119.914 0.046 0.000 2.379 357 V HA -0.073 4.025 4.120 -0.036 0.000 0.245 357 V C 2.504 178.616 176.094 0.030 0.000 1.044 357 V CA 1.535 63.854 62.300 0.032 0.000 1.036 357 V CB -0.703 31.134 31.823 0.025 0.000 0.664 357 V HN 0.405 nan 8.190 nan 0.000 0.453 358 V N -0.050 119.886 119.914 0.036 0.000 2.287 358 V HA -0.289 3.809 4.120 -0.036 0.000 0.248 358 V C 2.337 178.455 176.094 0.039 0.000 1.053 358 V CA 2.181 64.500 62.300 0.033 0.000 1.027 358 V CB -0.507 31.341 31.823 0.043 0.000 0.646 358 V HN 0.439 nan 8.190 nan 0.000 0.447 359 L N 0.101 121.356 121.223 0.053 0.000 2.056 359 L HA -0.170 4.148 4.340 -0.036 0.000 0.207 359 L C 2.817 179.712 176.870 0.042 0.000 1.078 359 L CA 2.068 56.941 54.840 0.055 0.000 0.749 359 L CB -0.609 41.491 42.059 0.069 0.000 0.901 359 L HN 0.438 nan 8.230 nan 0.000 0.433 360 R N -0.640 119.882 120.500 0.037 0.000 2.119 360 R HA -0.032 4.286 4.340 -0.036 0.000 0.222 360 R C 1.918 178.230 176.300 0.020 0.000 1.088 360 R CA 1.012 57.129 56.100 0.029 0.000 0.984 360 R CB -0.720 29.598 30.300 0.029 0.000 0.884 360 R HN 0.135 nan 8.270 nan 0.000 0.447 361 V N 1.520 121.443 119.914 0.015 0.000 2.548 361 V HA -0.156 3.942 4.120 -0.036 0.000 0.249 361 V C 2.217 178.310 176.094 -0.002 0.000 1.055 361 V CA 1.047 63.349 62.300 0.002 0.000 1.065 361 V CB -0.375 31.444 31.823 -0.006 0.000 0.681 361 V HN 0.159 nan 8.190 nan 0.000 0.462 362 L N 0.444 121.671 121.223 0.008 0.000 2.156 362 L HA 0.038 4.356 4.340 -0.036 0.000 0.208 362 L C 2.454 179.345 176.870 0.035 0.000 1.095 362 L CA 2.017 56.868 54.840 0.019 0.000 0.770 362 L CB -0.960 41.127 42.059 0.048 0.000 0.914 362 L HN 0.274 nan 8.230 nan 0.000 0.439 363 A N -1.328 121.511 122.820 0.030 0.000 1.968 363 A HA -0.145 4.153 4.320 -0.036 0.000 0.217 363 A C 2.172 179.768 177.584 0.021 0.000 1.169 363 A CA 1.154 53.207 52.037 0.028 0.000 0.638 363 A CB -0.352 18.663 19.000 0.026 0.000 0.812 363 A HN 0.468 nan 8.150 nan 0.000 0.446 364 E N -0.776 119.433 120.200 0.015 0.000 2.204 364 E HA -0.104 4.224 4.350 -0.036 0.000 0.194 364 E C 2.106 178.711 176.600 0.008 0.000 0.989 364 E CA 0.963 57.369 56.400 0.010 0.000 0.824 364 E CB 0.014 29.717 29.700 0.005 0.000 0.756 364 E HN 0.537 nan 8.360 nan 0.000 0.477 365 R N -0.519 119.985 120.500 0.007 0.000 2.276 365 R HA 0.178 4.496 4.340 -0.036 0.000 0.195 365 R C -0.046 176.266 176.300 0.020 0.000 0.908 365 R CA 0.037 56.139 56.100 0.003 0.000 1.083 365 R CB 1.049 31.338 30.300 -0.018 0.000 1.182 365 R HN -0.097 nan 8.270 nan 0.000 0.608 366 V N 1.086 121.024 119.914 0.039 0.000 2.439 366 V HA 0.135 4.234 4.120 -0.036 0.000 0.282 366 V C 0.720 176.854 176.094 0.066 0.000 1.039 366 V CA 0.097 62.447 62.300 0.084 0.000 0.913 366 V CB 1.840 33.766 31.823 0.172 0.000 0.983 366 V HN 0.171 nan 8.190 nan 0.000 0.460 367 S N 3.312 119.048 115.700 0.060 0.000 2.456 367 S HA 0.222 4.671 4.470 -0.036 0.000 0.224 367 S C 0.736 175.352 174.600 0.028 0.000 1.035 367 S CA 0.326 58.547 58.200 0.036 0.000 0.940 367 S CB 0.127 63.343 63.200 0.027 0.000 0.799 367 S HN 0.712 nan 8.310 nan 0.000 0.508 368 R N 0.621 121.143 120.500 0.035 0.000 2.561 368 R HA 0.462 4.781 4.340 -0.036 0.000 0.266 368 R C -2.261 174.026 176.300 -0.021 0.000 1.091 368 R CA -0.222 55.879 56.100 0.002 0.000 0.927 368 R CB 1.580 31.874 30.300 -0.010 0.000 1.240 368 R HN -0.008 nan 8.270 nan 0.000 0.449 369 V N 3.458 123.323 119.914 -0.081 0.000 2.417 369 V HA 0.397 4.496 4.120 -0.036 0.000 0.291 369 V C -0.684 175.294 176.094 -0.192 0.000 1.024 369 V CA -0.762 61.400 62.300 -0.230 0.000 0.861 369 V CB 1.743 33.398 31.823 -0.281 0.000 0.985 369 V HN 0.672 nan 8.190 nan 0.000 0.436 370 D N 3.454 123.723 120.400 -0.219 0.000 2.278 370 D HA 0.418 5.036 4.640 -0.036 0.000 0.245 370 D C -0.548 175.667 176.300 -0.142 0.000 1.052 370 D CA -0.418 53.499 54.000 -0.137 0.000 0.834 370 D CB 2.653 43.395 40.800 -0.095 0.000 1.194 370 D HN 0.351 nan 8.370 nan 0.000 0.481 371 L N 3.350 124.526 121.223 -0.079 0.000 2.283 371 L HA 0.101 4.419 4.340 -0.036 0.000 0.287 371 L C 1.411 178.253 176.870 -0.046 0.000 1.073 371 L CA 0.271 55.079 54.840 -0.053 0.000 0.822 371 L CB 0.511 42.582 42.059 0.020 0.000 1.186 371 L HN 0.267 nan 8.230 nan 0.000 0.436 372 E N 4.178 124.342 120.200 -0.061 0.000 2.028 372 E HA 0.030 4.358 4.350 -0.036 0.000 0.190 372 E C 0.217 176.797 176.600 -0.033 0.000 0.984 372 E CA 1.080 57.453 56.400 -0.045 0.000 0.800 372 E CB 0.229 29.900 29.700 -0.048 0.000 0.758 372 E HN 0.584 nan 8.360 nan 0.000 0.448 373 R N 0.591 121.065 120.500 -0.043 0.000 2.854 373 R HA 0.304 4.623 4.340 -0.036 0.000 0.271 373 R C -0.487 175.783 176.300 -0.050 0.000 0.994 373 R CA -0.840 55.236 56.100 -0.039 0.000 0.945 373 R CB 1.308 31.582 30.300 -0.044 0.000 1.194 373 R HN -0.123 nan 8.270 nan 0.000 0.476 374 E N 3.073 123.251 120.200 -0.037 0.000 2.414 374 E HA 0.080 4.408 4.350 -0.036 0.000 0.263 374 E C -2.049 174.467 176.600 -0.139 0.000 1.000 374 E CA -1.227 55.149 56.400 -0.040 0.000 0.914 374 E CB 0.433 30.136 29.700 0.005 0.000 0.948 374 E HN 0.169 nan 8.360 nan 0.000 0.444 375 P HA 0.053 nan 4.420 nan 0.000 0.266 375 P C -1.306 175.608 177.300 -0.644 0.000 1.195 375 P CA -0.056 62.743 63.100 -0.502 0.000 0.768 375 P CB 0.857 32.084 31.700 -0.788 0.000 0.838 376 A N 3.253 125.734 122.820 -0.566 0.000 2.312 376 A HA 0.609 4.907 4.320 -0.036 0.000 0.326 376 A C -1.084 176.148 177.584 -0.587 0.000 1.172 376 A CA -0.659 51.105 52.037 -0.456 0.000 0.821 376 A CB 0.508 19.397 19.000 -0.185 0.000 1.166 376 A HN 0.538 nan 8.150 nan 0.000 0.493 377 W N 1.401 122.665 121.300 -0.061 0.000 2.570 377 W HA 0.575 5.212 4.660 -0.038 0.000 0.337 377 W C -0.253 176.231 176.519 -0.059 0.000 1.067 377 W CA -0.712 56.569 57.345 -0.107 0.000 1.229 377 W CB 1.144 30.517 29.460 -0.145 0.000 1.355 377 W HN 0.464 nan 8.180 nan 0.000 0.555 378 L N 2.978 124.308 121.223 0.179 0.000 2.416 378 L HA 0.206 4.524 4.340 -0.036 0.000 0.272 378 L C 1.191 178.130 176.870 0.114 0.000 1.161 378 L CA -0.340 54.569 54.840 0.115 0.000 0.845 378 L CB 0.378 42.489 42.059 0.086 0.000 1.119 378 L HN 0.415 nan 8.230 nan 0.000 0.464 379 R N 3.671 124.227 120.500 0.094 0.000 2.609 379 R HA 0.462 4.780 4.340 -0.036 0.000 0.271 379 R C -0.819 175.537 176.300 0.093 0.000 1.403 379 R CA 0.019 56.171 56.100 0.086 0.000 1.138 379 R CB -0.093 30.244 30.300 0.061 0.000 1.142 379 R HN 0.742 nan 8.270 nan 0.000 0.559 380 A N 3.734 126.623 122.820 0.115 0.000 2.612 380 A HA 0.359 4.657 4.320 -0.036 0.000 0.293 380 A C 0.108 177.785 177.584 0.156 0.000 1.075 380 A CA -0.816 51.292 52.037 0.119 0.000 0.680 380 A CB 0.987 20.047 19.000 0.100 0.000 1.279 380 A HN 0.721 nan 8.150 nan 0.000 0.411 381 I N -1.376 119.289 120.570 0.158 0.000 4.288 381 I HA 0.227 4.375 4.170 -0.036 0.000 0.331 381 I C 0.865 177.116 176.117 0.223 0.000 1.322 381 I CA 0.127 61.540 61.300 0.189 0.000 1.149 381 I CB 0.327 38.436 38.000 0.181 0.000 1.112 381 I HN 0.235 nan 8.210 nan 0.000 0.403 382 V N 2.360 122.361 119.914 0.145 0.000 2.323 382 V HA -0.045 4.054 4.120 -0.036 0.000 0.244 382 V C 1.243 177.328 176.094 -0.016 0.000 1.041 382 V CA 1.451 63.769 62.300 0.030 0.000 1.025 382 V CB -0.117 31.728 31.823 0.037 0.000 0.656 382 V HN 0.471 nan 8.190 nan 0.000 0.451 383 V N -1.834 118.098 119.914 0.030 0.000 2.769 383 V HA 0.542 4.640 4.120 -0.036 0.000 0.312 383 V C -0.416 175.656 176.094 -0.036 0.000 1.061 383 V CA -0.904 61.398 62.300 0.003 0.000 0.931 383 V CB 1.747 33.607 31.823 0.062 0.000 1.010 383 V HN 0.295 nan 8.190 nan 0.000 0.433 384 Q N 1.778 121.536 119.800 -0.070 0.000 2.472 384 Q HA 0.579 4.897 4.340 -0.036 0.000 0.227 384 Q C 0.048 175.902 176.000 -0.242 0.000 1.156 384 Q CA 0.046 55.776 55.803 -0.122 0.000 0.924 384 Q CB 0.422 29.099 28.738 -0.101 0.000 1.354 384 Q HN 1.179 nan 8.270 nan 0.000 0.525 385 G N 2.260 110.867 108.800 -0.320 0.000 2.482 385 G HA2 0.377 4.315 3.960 -0.036 0.000 0.317 385 G HA3 0.377 4.315 3.960 -0.036 0.000 0.317 385 G C -1.532 173.261 174.900 -0.178 0.000 1.241 385 G CA -0.517 44.095 45.100 -0.812 0.000 0.967 385 G HN 0.502 nan 8.290 nan 0.000 0.482 386 Y N 0.916 121.218 120.300 0.003 0.000 2.359 386 Y HA 0.257 4.784 4.550 -0.037 0.000 0.334 386 Y C 1.874 177.800 175.900 0.042 0.000 1.058 386 Y CA -0.220 57.881 58.100 0.002 0.000 1.244 386 Y CB 1.670 40.128 38.460 -0.003 0.000 1.187 386 Y HN 0.615 nan 8.280 nan 0.000 0.510 387 R N 1.682 122.225 120.500 0.070 0.000 2.100 387 R HA 0.056 4.375 4.340 -0.036 0.000 0.220 387 R C -0.217 176.103 176.300 0.033 0.000 1.091 387 R CA 0.930 57.068 56.100 0.064 0.000 0.986 387 R CB 0.450 30.763 30.300 0.021 0.000 0.888 387 R HN 0.821 nan 8.270 nan 0.000 0.444 388 E N -0.244 119.935 120.200 -0.035 0.000 2.343 388 E HA 0.260 4.588 4.350 -0.036 0.000 0.278 388 E C -2.094 174.436 176.600 -0.118 0.000 0.910 388 E CA -0.602 55.762 56.400 -0.061 0.000 0.757 388 E CB 1.782 31.440 29.700 -0.071 0.000 1.218 388 E HN 0.048 nan 8.360 nan 0.000 0.435 389 L N 5.428 126.578 121.223 -0.122 0.000 2.489 389 L HA 0.432 4.750 4.340 -0.036 0.000 0.257 389 L C -2.743 174.051 176.870 -0.127 0.000 1.215 389 L CA -1.494 53.237 54.840 -0.182 0.000 0.915 389 L CB 1.622 43.498 42.059 -0.304 0.000 1.146 389 L HN 0.307 nan 8.230 nan 0.000 0.494 390 P HA 0.253 nan 4.420 nan 0.000 0.270 390 P C -0.911 176.333 177.300 -0.095 0.000 1.242 390 P CA 0.069 63.125 63.100 -0.074 0.000 0.768 390 P CB 0.978 32.642 31.700 -0.060 0.000 0.820 391 V N 1.679 121.529 119.914 -0.106 0.000 3.102 391 V HA 0.678 4.777 4.120 -0.036 0.000 0.312 391 V C -0.508 175.470 176.094 -0.194 0.000 1.135 391 V CA -1.235 60.945 62.300 -0.200 0.000 1.022 391 V CB 2.762 34.371 31.823 -0.357 0.000 1.056 391 V HN 0.246 nan 8.190 nan 0.000 0.436 392 R N 1.147 121.489 120.500 -0.263 0.000 2.534 392 R HA 0.658 4.976 4.340 -0.036 0.000 0.301 392 R C -1.804 174.321 176.300 -0.292 0.000 0.961 392 R CA -0.334 55.665 56.100 -0.169 0.000 0.871 392 R CB 2.209 32.461 30.300 -0.080 0.000 1.170 392 R HN 0.721 nan 8.270 nan 0.000 0.446 393 F N 0.979 120.923 119.950 -0.010 0.000 2.420 393 F HA 0.325 4.831 4.527 -0.036 0.000 0.342 393 F C 0.617 176.413 175.800 -0.008 0.000 1.113 393 F CA -0.409 57.585 58.000 -0.010 0.000 1.059 393 F CB 2.215 41.208 39.000 -0.011 0.000 1.128 393 F HN 0.354 nan 8.300 nan 0.000 0.475 394 T N 0.355 115.009 114.554 0.168 0.000 2.840 394 T HA 0.883 5.212 4.350 -0.036 0.000 0.287 394 T C -0.252 174.505 174.700 0.095 0.000 0.991 394 T CA -0.707 61.452 62.100 0.098 0.000 0.964 394 T CB 1.392 70.288 68.868 0.046 0.000 0.954 394 T HN 1.001 nan 8.240 nan 0.000 0.438 395 G N 2.245 111.088 108.800 0.071 0.000 2.341 395 G HA2 0.597 4.536 3.960 -0.036 0.000 0.299 395 G HA3 0.597 4.536 3.960 -0.036 0.000 0.299 395 G C -1.704 173.212 174.900 0.028 0.000 1.274 395 G CA -1.078 44.052 45.100 0.049 0.000 0.853 395 G HN 0.772 nan 8.290 nan 0.000 0.493 396 R N 0.000 120.510 120.500 0.017 0.000 2.786 396 R HA 0.000 4.318 4.340 -0.036 0.000 0.208 396 R CA 0.000 56.104 56.100 0.007 0.000 0.921 396 R CB 0.000 30.304 30.300 0.007 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535