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 2hne_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRTIIALETH DVRFPTSREL DGSDAMNPDP DYSAAYVVLR TDGAEDLAGY DATA SEQUENCE GLVFTIGRGN DVQTAAVAAL AEHVVGLSVD KVIADLGAFA RRLTNDSQLR DATA SEQUENCE WLGPEKGVMH MAIGAVINAA WDLAARAANK PLWRFIAELT PEQLVDTIDF DATA SEQUENCE RYLSDALTRD EALAILRDAQ PQRAARTATL IEQGYPAYTT SPGWLGYSDE DATA SEQUENCE KLVRLAKEAV ADGFRTIKLK VGANVQDDIR RCRLARAAIG PDIAMAVDAN DATA SEQUENCE QRWDVGPAID WMRQLAEFDI AWIEEPTSPD DVLGHAAIRQ GITPVPVSTG DATA SEQUENCE EHTQNRVVFK QLLQAGAVDL IQIDAARVGG VNENLAILLL AAKFGVRVFP DATA SEQUENCE HAGGVGLCEL VQHLAMADFV AITGKMEDRA IEFVDHLHQH FLDPVRIQHG DATA SEQUENCE RYLAPEVPGF SAEMHPASIA EFSYPDGRFW VEDL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 2 R N 2.537 123.024 120.500 -0.022 0.000 2.489 2 R HA 0.489 4.829 4.340 -0.000 0.000 0.287 2 R C -0.575 175.705 176.300 -0.033 0.000 1.053 2 R CA 0.393 56.476 56.100 -0.028 0.000 1.036 2 R CB 1.011 31.290 30.300 -0.035 0.000 0.966 2 R HN 0.555 nan 8.270 nan 0.000 0.432 3 T N 3.065 117.601 114.554 -0.030 0.000 2.903 3 T HA 0.373 4.723 4.350 -0.000 0.000 0.299 3 T C 0.102 174.781 174.700 -0.034 0.000 1.093 3 T CA -0.706 61.376 62.100 -0.030 0.000 1.002 3 T CB 1.483 70.341 68.868 -0.017 0.000 1.127 3 T HN 0.360 nan 8.240 nan 0.000 0.488 4 I N 3.461 124.010 120.570 -0.035 0.000 2.436 4 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 4 I C 1.467 177.573 176.117 -0.018 0.000 1.083 4 I CA 0.075 61.353 61.300 -0.037 0.000 1.372 4 I CB 0.485 38.466 38.000 -0.032 0.000 1.408 4 I HN 0.665 nan 8.210 nan 0.000 0.516 5 I N 3.367 123.924 120.570 -0.022 0.000 3.968 5 I HA 0.572 4.742 4.170 -0.000 0.000 0.328 5 I C 0.631 176.742 176.117 -0.010 0.000 1.290 5 I CA -0.013 61.280 61.300 -0.012 0.000 1.163 5 I CB 0.282 38.276 38.000 -0.011 0.000 1.024 5 I HN 0.518 nan 8.210 nan 0.000 0.413 6 A N 1.379 124.188 122.820 -0.018 0.000 2.599 6 A HA 0.692 5.012 4.320 -0.000 0.000 0.294 6 A C -1.771 175.796 177.584 -0.029 0.000 1.055 6 A CA -0.480 51.547 52.037 -0.018 0.000 0.683 6 A CB 1.431 20.421 19.000 -0.016 0.000 1.278 6 A HN 0.255 nan 8.150 nan 0.000 0.412 7 L N 1.744 122.952 121.223 -0.025 0.000 2.454 7 L HA 0.466 4.806 4.340 -0.000 0.000 0.258 7 L C -0.524 176.317 176.870 -0.048 0.000 1.025 7 L CA -0.128 54.692 54.840 -0.034 0.000 0.901 7 L CB 0.894 42.949 42.059 -0.007 0.000 1.210 7 L HN 0.873 nan 8.230 nan 0.000 0.457 8 E N 2.220 122.384 120.200 -0.059 0.000 2.331 8 E HA 0.420 4.770 4.350 -0.000 0.000 0.272 8 E C -0.420 176.114 176.600 -0.110 0.000 1.036 8 E CA -0.329 56.023 56.400 -0.079 0.000 0.864 8 E CB 1.378 31.087 29.700 0.015 0.000 1.035 8 E HN 0.517 nan 8.360 nan 0.000 0.408 9 T N 0.239 114.648 114.554 -0.242 0.000 2.886 9 T HA 0.550 4.900 4.350 -0.000 0.000 0.292 9 T C -0.971 173.514 174.700 -0.359 0.000 1.012 9 T CA -1.045 60.959 62.100 -0.160 0.000 0.982 9 T CB 0.986 69.809 68.868 -0.075 0.000 1.018 9 T HN 0.418 nan 8.240 nan 0.000 0.451 10 H N 0.447 119.593 119.070 0.128 0.000 2.679 10 H HA 0.549 5.105 4.556 -0.000 0.000 0.360 10 H C -1.165 174.228 175.328 0.108 0.000 1.105 10 H CA -0.763 55.367 56.048 0.136 0.000 1.196 10 H CB 1.591 31.477 29.762 0.207 0.000 1.636 10 H HN 0.634 nan 8.280 nan 0.000 0.531 11 D N 3.279 123.779 120.400 0.166 0.000 2.441 11 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 11 D C -0.739 175.609 176.300 0.079 0.000 1.156 11 D CA -0.225 53.834 54.000 0.097 0.000 0.896 11 D CB 0.309 41.156 40.800 0.077 0.000 1.028 11 D HN 0.227 nan 8.370 nan 0.000 0.509 12 V N 5.874 125.801 119.914 0.021 0.000 2.350 12 V HA 0.419 4.539 4.120 -0.000 0.000 0.276 12 V C 0.470 176.411 176.094 -0.255 0.000 1.028 12 V CA -0.696 61.532 62.300 -0.120 0.000 0.860 12 V CB 1.094 32.771 31.823 -0.244 0.000 0.990 12 V HN 0.318 nan 8.190 nan 0.000 0.453 13 R N 4.404 124.807 120.500 -0.163 0.000 2.480 13 R HA 0.568 4.908 4.340 -0.000 0.000 0.306 13 R C -1.491 174.970 176.300 0.268 0.000 0.958 13 R CA -0.458 55.590 56.100 -0.087 0.000 0.861 13 R CB 2.029 32.135 30.300 -0.324 0.000 1.171 13 R HN 0.467 nan 8.270 nan 0.000 0.445 14 F N 3.421 123.625 119.950 0.424 0.000 2.443 14 F HA 0.359 4.886 4.527 -0.000 0.000 0.335 14 F C -1.388 174.632 175.800 0.368 0.000 1.104 14 F CA -2.775 55.404 58.000 0.298 0.000 1.013 14 F CB 1.475 40.473 39.000 -0.003 0.000 1.136 14 F HN 0.265 nan 8.300 nan 0.000 0.470 15 P HA 0.046 nan 4.420 nan 0.000 0.225 15 P C 0.720 178.120 177.300 0.166 0.000 1.768 15 P CA 0.085 63.403 63.100 0.364 0.000 0.943 15 P CB -0.511 31.339 31.700 0.251 0.000 1.936 16 T N -3.281 111.339 114.554 0.109 0.000 3.072 16 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 16 T C 1.434 176.068 174.700 -0.109 0.000 1.127 16 T CA 0.830 62.879 62.100 -0.085 0.000 1.107 16 T CB -0.796 67.882 68.868 -0.318 0.000 0.910 16 T HN 0.266 nan 8.240 nan 0.000 0.513 17 S N 0.600 116.294 115.700 -0.010 0.000 2.840 17 S HA 0.236 4.706 4.470 -0.000 0.000 0.235 17 S C 1.422 176.031 174.600 0.014 0.000 0.968 17 S CA -0.766 57.425 58.200 -0.016 0.000 1.026 17 S CB -0.203 63.015 63.200 0.031 0.000 0.788 17 S HN 0.298 nan 8.310 nan 0.000 0.487 18 R N 0.247 120.755 120.500 0.013 0.000 2.316 18 R HA 0.423 4.763 4.340 -0.000 0.000 0.201 18 R C -0.053 176.251 176.300 0.007 0.000 0.888 18 R CA 0.377 56.495 56.100 0.031 0.000 1.041 18 R CB -0.180 30.156 30.300 0.061 0.000 1.115 18 R HN 0.438 nan 8.270 nan 0.000 0.559 19 E N 0.134 120.320 120.200 -0.024 0.000 2.303 19 E HA 0.407 4.757 4.350 -0.000 0.000 0.254 19 E C -0.794 175.782 176.600 -0.039 0.000 0.979 19 E CA -0.757 55.633 56.400 -0.017 0.000 0.843 19 E CB 0.726 30.416 29.700 -0.017 0.000 1.245 19 E HN -0.215 nan 8.360 nan 0.000 0.413 20 L N 2.409 123.645 121.223 0.022 0.000 2.389 20 L HA 0.355 4.695 4.340 -0.000 0.000 0.265 20 L C -0.794 176.019 176.870 -0.095 0.000 1.167 20 L CA 0.198 55.059 54.840 0.034 0.000 1.045 20 L CB -0.603 41.619 42.059 0.271 0.000 1.351 20 L HN 0.235 nan 8.230 nan 0.000 0.419 21 D N 0.788 120.950 120.400 -0.396 0.000 2.583 21 D HA 0.404 5.044 4.640 -0.000 0.000 0.248 21 D C 0.865 176.456 176.300 -1.182 0.000 1.209 21 D CA -0.149 53.312 54.000 -0.898 0.000 0.848 21 D CB 2.088 42.411 40.800 -0.795 0.000 1.431 21 D HN 0.310 nan 8.370 nan 0.000 0.436 22 G N 0.853 108.379 108.800 -2.124 0.000 2.230 22 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.270 22 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.270 22 G C 0.405 174.959 174.900 -0.577 0.000 0.987 22 G CA 1.236 45.420 45.100 -1.525 0.000 0.664 22 G HN 0.695 nan 8.290 nan 0.000 0.539 23 S N 0.527 115.964 115.700 -0.439 0.000 2.505 23 S HA 0.561 5.031 4.470 -0.000 0.000 0.276 23 S C -0.023 174.651 174.600 0.122 0.000 1.274 23 S CA 0.248 58.389 58.200 -0.098 0.000 1.053 23 S CB 1.663 64.789 63.200 -0.123 0.000 0.919 23 S HN 0.760 nan 8.310 nan 0.000 0.490 24 D N 1.626 122.085 120.400 0.098 0.000 2.781 24 D HA 0.663 5.303 4.640 -0.000 0.000 0.295 24 D C 0.890 177.194 176.300 0.008 0.000 1.143 24 D CA -0.616 53.437 54.000 0.089 0.000 1.076 24 D CB 0.306 41.174 40.800 0.114 0.000 1.444 24 D HN 0.427 nan 8.370 nan 0.000 0.567 25 A N -0.862 121.930 122.820 -0.047 0.000 2.067 25 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 25 A C 1.896 179.428 177.584 -0.086 0.000 1.158 25 A CA 1.695 53.685 52.037 -0.078 0.000 0.661 25 A CB -0.718 18.182 19.000 -0.167 0.000 0.801 25 A HN 0.522 nan 8.150 nan 0.000 0.452 26 M N -0.706 118.840 119.600 -0.090 0.000 2.657 26 M HA 0.228 4.708 4.480 -0.000 0.000 0.262 26 M C -0.730 175.546 176.300 -0.039 0.000 1.213 26 M CA 0.733 55.984 55.300 -0.081 0.000 1.182 26 M CB 0.407 32.936 32.600 -0.117 0.000 1.303 26 M HN 0.189 nan 8.290 nan 0.000 0.501 27 N N 1.550 120.241 118.700 -0.016 0.000 2.626 27 N HA 0.296 5.036 4.740 -0.000 0.000 0.242 27 N C -2.417 173.096 175.510 0.005 0.000 1.005 27 N CA -1.155 51.899 53.050 0.006 0.000 0.905 27 N CB 1.224 39.733 38.487 0.037 0.000 1.128 27 N HN 0.235 nan 8.380 nan 0.000 0.512 28 P HA -0.063 nan 4.420 nan 0.000 0.215 28 P C -0.040 177.242 177.300 -0.030 0.000 1.157 28 P CA 1.345 64.437 63.100 -0.013 0.000 0.856 28 P CB 0.343 32.040 31.700 -0.006 0.000 0.786 29 D N -0.447 119.941 120.400 -0.020 0.000 2.943 29 D HA 0.190 4.830 4.640 -0.000 0.000 0.347 29 D C -2.330 173.962 176.300 -0.013 0.000 1.305 29 D CA -2.073 51.912 54.000 -0.026 0.000 0.870 29 D CB -0.263 40.532 40.800 -0.008 0.000 1.081 29 D HN 0.201 nan 8.370 nan 0.000 0.492 30 P HA 0.134 nan 4.420 nan 0.000 0.267 30 P C -0.478 176.871 177.300 0.082 0.000 1.209 30 P CA 0.034 63.180 63.100 0.076 0.000 0.763 30 P CB 1.134 32.949 31.700 0.192 0.000 0.816 31 D N 3.172 123.648 120.400 0.128 0.000 2.505 31 D HA 0.145 4.785 4.640 -0.000 0.000 0.242 31 D C 0.248 176.725 176.300 0.295 0.000 1.136 31 D CA -0.453 53.643 54.000 0.160 0.000 0.954 31 D CB -0.377 40.476 40.800 0.088 0.000 1.002 31 D HN 0.361 nan 8.370 nan 0.000 0.512 32 Y N 1.478 121.877 120.300 0.166 0.000 2.887 32 Y HA -0.138 4.412 4.550 -0.000 0.000 0.350 32 Y C 1.559 177.665 175.900 0.344 0.000 1.294 32 Y CA -0.095 58.216 58.100 0.352 0.000 1.622 32 Y CB 0.209 38.909 38.460 0.400 0.000 1.201 32 Y HN 0.207 nan 8.280 nan 0.000 0.546 33 S N 2.369 118.237 115.700 0.280 0.000 2.732 33 S HA 0.969 5.439 4.470 -0.000 0.000 0.293 33 S C -1.014 173.667 174.600 0.136 0.000 1.159 33 S CA -0.682 57.583 58.200 0.108 0.000 0.847 33 S CB 2.368 65.527 63.200 -0.069 0.000 1.169 33 S HN 0.820 nan 8.310 nan 0.000 0.501 34 A N -0.058 122.803 122.820 0.069 0.000 2.540 34 A HA 0.826 5.146 4.320 -0.000 0.000 0.297 34 A C -0.551 177.106 177.584 0.122 0.000 1.056 34 A CA -0.361 51.767 52.037 0.150 0.000 0.700 34 A CB 1.073 20.235 19.000 0.270 0.000 1.280 34 A HN 1.879 nan 8.150 nan 0.000 0.398 35 A N 1.718 124.616 122.820 0.128 0.000 2.527 35 A HA 0.530 4.850 4.320 -0.000 0.000 0.313 35 A C -0.703 177.016 177.584 0.225 0.000 1.410 35 A CA -0.145 51.971 52.037 0.131 0.000 1.060 35 A CB -0.526 18.515 19.000 0.068 0.000 1.137 35 A HN 1.117 nan 8.150 nan 0.000 0.542 36 Y N 3.300 123.676 120.300 0.127 0.000 2.393 36 Y HA 0.437 4.987 4.550 -0.000 0.000 0.338 36 Y C -0.239 175.787 175.900 0.210 0.000 1.029 36 Y CA -0.310 57.894 58.100 0.173 0.000 1.239 36 Y CB 0.868 39.428 38.460 0.167 0.000 1.170 36 Y HN 0.411 nan 8.280 nan 0.000 0.515 37 V N 6.666 126.472 119.914 -0.179 0.000 2.581 37 V HA 0.599 4.719 4.120 -0.000 0.000 0.303 37 V C -0.788 175.092 176.094 -0.357 0.000 1.041 37 V CA -1.008 61.184 62.300 -0.179 0.000 0.907 37 V CB 1.675 33.453 31.823 -0.075 0.000 0.994 37 V HN 0.492 nan 8.190 nan 0.000 0.442 38 V N 5.126 124.889 119.914 -0.252 0.000 2.577 38 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 38 V C -0.825 175.124 176.094 -0.242 0.000 1.042 38 V CA -0.505 61.587 62.300 -0.346 0.000 0.872 38 V CB 1.846 33.517 31.823 -0.252 0.000 0.998 38 V HN 0.604 nan 8.190 nan 0.000 0.423 39 L N 5.927 126.973 121.223 -0.295 0.000 2.321 39 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 39 L C 0.514 177.262 176.870 -0.204 0.000 1.050 39 L CA 0.256 54.982 54.840 -0.189 0.000 0.893 39 L CB 0.394 42.357 42.059 -0.160 0.000 1.272 39 L HN 0.531 nan 8.230 nan 0.000 0.435 40 R N 0.934 121.347 120.500 -0.145 0.000 2.410 40 R HA 0.617 4.957 4.340 -0.000 0.000 0.288 40 R C 0.326 176.581 176.300 -0.074 0.000 1.051 40 R CA -0.311 55.723 56.100 -0.109 0.000 1.021 40 R CB 1.293 31.554 30.300 -0.064 0.000 1.032 40 R HN 0.581 nan 8.270 nan 0.000 0.481 41 T N -2.678 111.838 114.554 -0.063 0.000 2.905 41 T HA 0.170 4.520 4.350 -0.000 0.000 0.283 41 T C 0.488 175.171 174.700 -0.028 0.000 1.031 41 T CA -0.840 61.232 62.100 -0.048 0.000 1.002 41 T CB 1.413 70.247 68.868 -0.057 0.000 1.200 41 T HN 0.607 nan 8.240 nan 0.000 0.560 42 D N -1.171 119.216 120.400 -0.023 0.000 2.340 42 D HA 0.237 4.877 4.640 -0.000 0.000 0.217 42 D C 1.081 177.374 176.300 -0.011 0.000 1.081 42 D CA -0.340 53.653 54.000 -0.013 0.000 0.842 42 D CB -0.471 40.322 40.800 -0.011 0.000 0.934 42 D HN 0.721 nan 8.370 nan 0.000 0.511 43 G N 0.302 109.092 108.800 -0.016 0.000 2.546 43 G HA2 0.449 4.409 3.960 -0.000 0.000 0.239 43 G HA3 0.449 4.409 3.960 -0.000 0.000 0.239 43 G C 0.046 174.944 174.900 -0.004 0.000 1.476 43 G CA -0.282 44.811 45.100 -0.012 0.000 1.064 43 G HN 0.356 nan 8.290 nan 0.000 0.561 44 A N -0.906 121.913 122.820 -0.001 0.000 2.587 44 A HA 0.194 4.514 4.320 -0.000 0.000 0.235 44 A C 1.429 179.022 177.584 0.015 0.000 1.044 44 A CA 0.897 52.939 52.037 0.008 0.000 0.754 44 A CB 0.002 19.007 19.000 0.009 0.000 0.968 44 A HN 0.770 nan 8.150 nan 0.000 0.509 45 E N 1.258 121.472 120.200 0.023 0.000 2.253 45 E HA -0.245 4.105 4.350 -0.000 0.000 0.202 45 E C 1.428 178.057 176.600 0.048 0.000 1.014 45 E CA 2.017 58.438 56.400 0.034 0.000 0.823 45 E CB -0.030 29.694 29.700 0.039 0.000 0.736 45 E HN 0.789 nan 8.360 nan 0.000 0.478 46 D N -0.145 120.282 120.400 0.045 0.000 2.078 46 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 46 D C 0.313 176.649 176.300 0.060 0.000 0.990 46 D CA 0.455 54.491 54.000 0.060 0.000 0.827 46 D CB -0.165 40.662 40.800 0.045 0.000 0.975 46 D HN 0.207 nan 8.370 nan 0.000 0.451 47 L N 0.888 122.125 121.223 0.024 0.000 2.737 47 L HA 0.107 4.447 4.340 -0.000 0.000 0.275 47 L C 0.203 177.057 176.870 -0.026 0.000 1.179 47 L CA -0.002 54.835 54.840 -0.006 0.000 0.970 47 L CB -0.040 42.002 42.059 -0.028 0.000 1.268 47 L HN 0.178 nan 8.230 nan 0.000 0.485 48 A N 3.220 126.011 122.820 -0.048 0.000 2.594 48 A HA 0.679 4.999 4.320 -0.000 0.000 0.296 48 A C -0.461 176.976 177.584 -0.245 0.000 1.056 48 A CA -0.067 51.863 52.037 -0.177 0.000 0.693 48 A CB 1.061 19.940 19.000 -0.201 0.000 1.278 48 A HN 0.638 nan 8.150 nan 0.000 0.408 49 G N -0.080 108.498 108.800 -0.371 0.000 2.388 49 G HA2 0.623 4.583 3.960 -0.000 0.000 0.330 49 G HA3 0.623 4.583 3.960 -0.000 0.000 0.330 49 G C -1.375 173.253 174.900 -0.453 0.000 1.142 49 G CA -0.349 44.597 45.100 -0.257 0.000 0.908 49 G HN 0.537 nan 8.290 nan 0.000 0.473 50 Y N 0.145 120.451 120.300 0.009 0.000 2.425 50 Y HA 0.705 5.255 4.550 -0.000 0.000 0.344 50 Y C 0.701 176.605 175.900 0.007 0.000 0.969 50 Y CA -0.257 57.827 58.100 -0.027 0.000 1.052 50 Y CB 2.900 41.397 38.460 0.061 0.000 1.215 50 Y HN 0.889 nan 8.280 nan 0.000 0.451 51 G N 1.993 110.839 108.800 0.077 0.000 2.645 51 G HA2 0.771 4.731 3.960 -0.000 0.000 0.292 51 G HA3 0.771 4.731 3.960 -0.000 0.000 0.292 51 G C -1.956 173.002 174.900 0.097 0.000 1.415 51 G CA -0.963 44.174 45.100 0.063 0.000 0.785 51 G HN 0.867 nan 8.290 nan 0.000 0.483 52 L N -2.949 118.338 121.223 0.107 0.000 2.866 52 L HA 0.777 5.117 4.340 -0.000 0.000 0.262 52 L C -1.659 175.287 176.870 0.127 0.000 0.986 52 L CA -1.275 53.672 54.840 0.178 0.000 0.925 52 L CB 1.352 43.625 42.059 0.356 0.000 1.484 52 L HN 0.491 nan 8.230 nan 0.000 0.414 53 V N 1.773 121.764 119.914 0.128 0.000 2.417 53 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 53 V C -0.373 175.813 176.094 0.152 0.000 1.024 53 V CA -0.253 62.108 62.300 0.102 0.000 0.861 53 V CB 1.466 33.314 31.823 0.043 0.000 0.985 53 V HN 0.596 nan 8.190 nan 0.000 0.436 54 F N 4.076 124.035 119.950 0.014 0.000 2.427 54 F HA 0.617 5.144 4.527 -0.000 0.000 0.352 54 F C 0.407 176.199 175.800 -0.014 0.000 1.100 54 F CA 0.493 58.493 58.000 0.001 0.000 1.191 54 F CB 0.959 39.942 39.000 -0.027 0.000 1.128 54 F HN 0.544 nan 8.300 nan 0.000 0.533 55 T N 6.779 120.797 114.554 -0.892 0.000 2.865 55 T HA 0.442 4.792 4.350 -0.000 0.000 0.294 55 T C 0.259 174.393 174.700 -0.943 0.000 1.119 55 T CA -0.510 61.143 62.100 -0.746 0.000 1.007 55 T CB 1.497 70.173 68.868 -0.320 0.000 1.225 55 T HN 0.511 nan 8.240 nan 0.000 0.515 56 I N -0.859 119.406 120.570 -0.509 0.000 3.531 56 I HA 0.695 4.865 4.170 -0.000 0.000 0.341 56 I C 0.749 176.799 176.117 -0.111 0.000 1.550 56 I CA -0.438 60.712 61.300 -0.250 0.000 1.087 56 I CB -0.423 37.510 38.000 -0.113 0.000 1.408 56 I HN 0.857 nan 8.210 nan 0.000 0.484 57 G N 1.966 110.674 108.800 -0.155 0.000 2.433 57 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.211 57 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.211 57 G C -0.301 174.474 174.900 -0.209 0.000 1.214 57 G CA -0.783 44.215 45.100 -0.170 0.000 1.271 57 G HN 0.374 nan 8.290 nan 0.000 0.503 58 R N 1.513 121.909 120.500 -0.172 0.000 2.583 58 R HA 0.361 4.701 4.340 -0.000 0.000 0.274 58 R C 1.472 177.700 176.300 -0.119 0.000 0.998 58 R CA 1.622 57.634 56.100 -0.146 0.000 1.081 58 R CB 0.055 30.296 30.300 -0.098 0.000 0.940 58 R HN 2.228 nan 8.270 nan 0.000 0.413 59 G N 2.140 110.881 108.800 -0.099 0.000 2.175 59 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 59 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 59 G C 0.728 175.579 174.900 -0.082 0.000 0.982 59 G CA 0.420 45.474 45.100 -0.077 0.000 0.641 59 G HN 0.666 nan 8.290 nan 0.000 0.527 60 N N 1.426 120.061 118.700 -0.107 0.000 2.396 60 N HA -0.022 4.718 4.740 -0.000 0.000 0.180 60 N C 1.931 177.414 175.510 -0.044 0.000 1.028 60 N CA 1.791 54.785 53.050 -0.092 0.000 0.893 60 N CB -0.112 38.299 38.487 -0.127 0.000 0.967 60 N HN 0.614 nan 8.380 nan 0.000 0.440 61 D N -0.193 120.190 120.400 -0.028 0.000 2.149 61 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 61 D C 1.974 178.271 176.300 -0.005 0.000 0.972 61 D CA 1.303 55.306 54.000 0.006 0.000 0.835 61 D CB -0.766 40.057 40.800 0.037 0.000 0.966 61 D HN 0.268 nan 8.370 nan 0.000 0.476 62 V N -0.944 118.960 119.914 -0.016 0.000 2.453 62 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 62 V C 2.523 178.608 176.094 -0.016 0.000 1.048 62 V CA 1.635 63.926 62.300 -0.015 0.000 1.049 62 V CB -0.929 30.883 31.823 -0.018 0.000 0.672 62 V HN 0.024 nan 8.190 nan 0.000 0.457 63 Q N 1.217 121.003 119.800 -0.024 0.000 2.119 63 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 63 Q C 2.172 178.167 176.000 -0.009 0.000 0.972 63 Q CA 2.672 58.462 55.803 -0.021 0.000 0.847 63 Q CB -0.957 27.761 28.738 -0.035 0.000 0.903 63 Q HN 0.697 nan 8.270 nan 0.000 0.433 64 T N 0.168 114.721 114.554 -0.003 0.000 2.737 64 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 64 T C 1.704 176.401 174.700 -0.005 0.000 1.038 64 T CA 1.335 63.439 62.100 0.008 0.000 1.144 64 T CB -0.573 68.306 68.868 0.018 0.000 0.866 64 T HN 0.457 nan 8.240 nan 0.000 0.434 65 A N 1.398 124.214 122.820 -0.007 0.000 1.972 65 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 65 A C 2.604 180.181 177.584 -0.011 0.000 1.169 65 A CA 1.821 53.852 52.037 -0.010 0.000 0.635 65 A CB -0.999 17.996 19.000 -0.008 0.000 0.810 65 A HN 0.507 nan 8.150 nan 0.000 0.446 66 A N -0.562 122.251 122.820 -0.011 0.000 1.902 66 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 66 A C 2.231 179.800 177.584 -0.025 0.000 1.181 66 A CA 1.791 53.819 52.037 -0.015 0.000 0.623 66 A CB -0.839 18.154 19.000 -0.013 0.000 0.818 66 A HN 0.376 nan 8.150 nan 0.000 0.443 67 V N -0.130 119.771 119.914 -0.021 0.000 2.270 67 V HA -0.212 3.907 4.120 -0.000 0.000 0.245 67 V C 3.041 179.118 176.094 -0.028 0.000 1.043 67 V CA 1.797 64.082 62.300 -0.026 0.000 1.014 67 V CB -1.342 30.474 31.823 -0.012 0.000 0.645 67 V HN 0.596 nan 8.190 nan 0.000 0.447 68 A N 0.131 122.937 122.820 -0.023 0.000 2.042 68 A HA -0.173 4.147 4.320 -0.000 0.000 0.222 68 A C 2.191 179.767 177.584 -0.012 0.000 1.167 68 A CA 2.042 54.065 52.037 -0.023 0.000 0.649 68 A CB -0.637 18.347 19.000 -0.027 0.000 0.809 68 A HN 0.646 nan 8.150 nan 0.000 0.457 69 A N -1.085 121.727 122.820 -0.015 0.000 2.238 69 A HA 0.375 4.695 4.320 -0.000 0.000 0.208 69 A C 1.609 179.184 177.584 -0.014 0.000 1.177 69 A CA 0.527 52.563 52.037 -0.002 0.000 0.804 69 A CB -0.320 18.678 19.000 -0.002 0.000 0.823 69 A HN 0.463 nan 8.150 nan 0.000 0.482 70 L N -1.529 119.663 121.223 -0.053 0.000 2.640 70 L HA 0.134 4.474 4.340 -0.000 0.000 0.230 70 L C 2.562 179.449 176.870 0.028 0.000 1.123 70 L CA 0.494 55.258 54.840 -0.126 0.000 0.900 70 L CB -0.214 41.738 42.059 -0.178 0.000 1.146 70 L HN 0.386 nan 8.230 nan 0.000 0.484 71 A N 0.854 123.703 122.820 0.049 0.000 1.917 71 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 71 A C 2.080 179.725 177.584 0.102 0.000 1.182 71 A CA 1.724 53.798 52.037 0.061 0.000 0.633 71 A CB -0.292 18.727 19.000 0.031 0.000 0.819 71 A HN 0.475 nan 8.150 nan 0.000 0.448 72 E N -1.017 119.269 120.200 0.143 0.000 2.338 72 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 72 E C 1.412 178.074 176.600 0.104 0.000 1.007 72 E CA 0.920 57.384 56.400 0.108 0.000 0.849 72 E CB -0.265 29.477 29.700 0.071 0.000 0.774 72 E HN 0.825 nan 8.360 nan 0.000 0.506 73 H N -1.012 118.060 119.070 0.004 0.000 2.551 73 H HA 0.082 4.638 4.556 -0.000 0.000 0.266 73 H C 1.577 176.924 175.328 0.031 0.000 0.964 73 H CA 0.282 56.328 56.048 -0.003 0.000 1.180 73 H CB 0.908 30.646 29.762 -0.039 0.000 1.408 73 H HN 0.021 nan 8.280 nan 0.000 0.563 74 V N 0.703 120.728 119.914 0.186 0.000 3.090 74 V HA -0.040 4.080 4.120 -0.000 0.000 0.237 74 V C 0.912 177.076 176.094 0.117 0.000 1.209 74 V CA 0.214 62.629 62.300 0.191 0.000 1.209 74 V CB 0.947 32.903 31.823 0.220 0.000 0.971 74 V HN 0.147 nan 8.190 nan 0.000 0.477 75 V N 1.089 121.049 119.914 0.077 0.000 2.509 75 V HA 0.592 4.712 4.120 -0.000 0.000 0.297 75 V C 1.176 177.291 176.094 0.034 0.000 1.014 75 V CA 0.946 63.272 62.300 0.042 0.000 1.127 75 V CB -0.352 31.487 31.823 0.028 0.000 0.925 75 V HN 0.826 nan 8.190 nan 0.000 0.480 76 G N 3.062 111.876 108.800 0.022 0.000 2.218 76 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 76 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 76 G C -0.025 174.886 174.900 0.018 0.000 0.994 76 G CA -0.064 45.045 45.100 0.015 0.000 0.637 76 G HN 0.835 nan 8.290 nan 0.000 0.505 77 L N 1.722 122.965 121.223 0.033 0.000 2.439 77 L HA 0.508 4.848 4.340 -0.000 0.000 0.269 77 L C 1.262 178.131 176.870 -0.001 0.000 1.179 77 L CA 0.144 55.005 54.840 0.035 0.000 0.828 77 L CB 1.373 43.483 42.059 0.085 0.000 1.106 77 L HN 0.247 nan 8.230 nan 0.000 0.467 78 S N 1.297 116.993 115.700 -0.007 0.000 2.430 78 S HA 0.111 4.581 4.470 -0.000 0.000 0.282 78 S C 1.200 175.765 174.600 -0.058 0.000 1.186 78 S CA -0.834 57.349 58.200 -0.027 0.000 1.060 78 S CB 0.832 64.021 63.200 -0.018 0.000 0.966 78 S HN 0.413 nan 8.310 nan 0.000 0.501 79 V N 5.204 125.073 119.914 -0.074 0.000 2.278 79 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 79 V C 2.199 178.228 176.094 -0.110 0.000 1.062 79 V CA 2.483 64.717 62.300 -0.110 0.000 1.038 79 V CB -0.648 31.119 31.823 -0.094 0.000 0.646 79 V HN 0.832 nan 8.190 nan 0.000 0.447 80 D N -0.287 120.068 120.400 -0.074 0.000 2.123 80 D HA -0.239 4.401 4.640 -0.000 0.000 0.196 80 D C 2.144 178.405 176.300 -0.064 0.000 0.992 80 D CA 1.760 55.723 54.000 -0.062 0.000 0.833 80 D CB -0.180 40.596 40.800 -0.041 0.000 0.954 80 D HN 0.487 nan 8.370 nan 0.000 0.455 81 K N 1.082 121.450 120.400 -0.054 0.000 2.097 81 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 81 K C 2.183 178.746 176.600 -0.061 0.000 1.050 81 K CA 0.510 56.773 56.287 -0.039 0.000 0.938 81 K CB 0.126 32.618 32.500 -0.013 0.000 0.718 81 K HN -0.099 nan 8.250 nan 0.000 0.442 82 V N 1.483 121.330 119.914 -0.113 0.000 2.237 82 V HA -0.277 3.842 4.120 -0.000 0.000 0.245 82 V C 2.242 178.186 176.094 -0.250 0.000 1.046 82 V CA 1.722 63.888 62.300 -0.223 0.000 1.007 82 V CB -0.388 31.185 31.823 -0.416 0.000 0.638 82 V HN 0.261 nan 8.190 nan 0.000 0.445 83 I N 0.863 121.293 120.570 -0.233 0.000 2.264 83 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 83 I C 2.394 178.434 176.117 -0.128 0.000 1.111 83 I CA 1.810 62.987 61.300 -0.206 0.000 1.382 83 I CB -0.869 37.043 38.000 -0.146 0.000 1.060 83 I HN 0.246 nan 8.210 nan 0.000 0.418 84 A N -1.465 121.300 122.820 -0.092 0.000 2.167 84 A HA -0.061 4.259 4.320 -0.000 0.000 0.214 84 A C 0.951 178.500 177.584 -0.057 0.000 1.151 84 A CA 1.063 53.064 52.037 -0.060 0.000 0.735 84 A CB -0.179 18.796 19.000 -0.042 0.000 0.802 84 A HN 0.362 nan 8.150 nan 0.000 0.467 85 D N -0.216 120.142 120.400 -0.070 0.000 2.752 85 D HA 0.173 4.813 4.640 -0.000 0.000 0.242 85 D C 0.487 176.771 176.300 -0.026 0.000 1.295 85 D CA -0.346 53.635 54.000 -0.033 0.000 0.846 85 D CB 0.260 41.065 40.800 0.008 0.000 1.454 85 D HN -0.035 nan 8.370 nan 0.000 0.535 86 L N 0.928 122.077 121.223 -0.122 0.000 2.201 86 L HA 0.066 4.406 4.340 -0.000 0.000 0.212 86 L C 2.397 179.338 176.870 0.118 0.000 1.105 86 L CA 1.674 56.438 54.840 -0.127 0.000 0.775 86 L CB -1.329 40.351 42.059 -0.631 0.000 0.913 86 L HN 0.389 nan 8.230 nan 0.000 0.440 87 G N -0.151 108.718 108.800 0.115 0.000 2.421 87 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 87 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 87 G C 1.779 176.757 174.900 0.130 0.000 1.171 87 G CA 0.962 46.154 45.100 0.153 0.000 0.775 87 G HN 0.457 nan 8.290 nan 0.000 0.543 88 A N 0.308 123.195 122.820 0.110 0.000 1.940 88 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 88 A C 2.186 179.846 177.584 0.125 0.000 1.176 88 A CA 1.699 53.796 52.037 0.099 0.000 0.631 88 A CB -0.563 18.487 19.000 0.083 0.000 0.814 88 A HN 0.420 nan 8.150 nan 0.000 0.446 89 F N 0.895 120.851 119.950 0.010 0.000 2.146 89 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 89 F C 2.482 178.310 175.800 0.047 0.000 1.096 89 F CA 1.068 59.076 58.000 0.013 0.000 1.275 89 F CB -0.467 38.518 39.000 -0.026 0.000 1.008 89 F HN 0.239 nan 8.300 nan 0.000 0.480 90 A N 0.576 123.426 122.820 0.050 0.000 1.898 90 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 90 A C 2.333 179.885 177.584 -0.052 0.000 1.181 90 A CA 1.528 53.557 52.037 -0.013 0.000 0.620 90 A CB -0.673 18.422 19.000 0.158 0.000 0.819 90 A HN 0.438 nan 8.150 nan 0.000 0.442 91 R N -1.000 119.501 120.500 0.001 0.000 2.148 91 R HA -0.058 4.282 4.340 -0.000 0.000 0.227 91 R C 2.414 178.704 176.300 -0.017 0.000 1.103 91 R CA 1.054 57.160 56.100 0.010 0.000 0.983 91 R CB -0.273 30.049 30.300 0.036 0.000 0.874 91 R HN 0.570 nan 8.270 nan 0.000 0.451 92 R N 0.778 121.240 120.500 -0.063 0.000 2.083 92 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 92 R C 1.768 178.049 176.300 -0.031 0.000 1.137 92 R CA 1.322 57.391 56.100 -0.052 0.000 0.951 92 R CB 0.001 30.244 30.300 -0.096 0.000 0.851 92 R HN 0.105 nan 8.270 nan 0.000 0.434 93 L N -0.197 120.950 121.223 -0.127 0.000 2.068 93 L HA -0.036 4.303 4.340 -0.000 0.000 0.204 93 L C 2.374 179.230 176.870 -0.023 0.000 1.076 93 L CA 1.641 56.420 54.840 -0.102 0.000 0.753 93 L CB -1.561 40.364 42.059 -0.222 0.000 0.910 93 L HN 0.209 nan 8.230 nan 0.000 0.439 94 T N 0.596 115.146 114.554 -0.007 0.000 2.788 94 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 94 T C 1.512 176.250 174.700 0.062 0.000 1.044 94 T CA 1.177 63.311 62.100 0.056 0.000 1.139 94 T CB -0.105 68.806 68.868 0.073 0.000 0.867 94 T HN 0.267 nan 8.240 nan 0.000 0.454 95 N N 1.446 120.174 118.700 0.048 0.000 2.322 95 N HA 0.009 4.749 4.740 -0.000 0.000 0.194 95 N C 0.019 175.568 175.510 0.064 0.000 1.126 95 N CA 0.108 53.190 53.050 0.053 0.000 0.845 95 N CB 0.003 38.513 38.487 0.038 0.000 0.976 95 N HN 0.387 nan 8.380 nan 0.000 0.475 96 D N 1.204 121.651 120.400 0.078 0.000 2.342 96 D HA -0.010 4.630 4.640 -0.000 0.000 0.260 96 D C 1.252 177.614 176.300 0.103 0.000 1.278 96 D CA 0.052 54.112 54.000 0.100 0.000 0.910 96 D CB 0.795 41.692 40.800 0.162 0.000 1.079 96 D HN 0.143 nan 8.370 nan 0.000 0.496 97 S N 3.407 119.163 115.700 0.095 0.000 2.400 97 S HA -0.268 4.202 4.470 -0.000 0.000 0.232 97 S C 1.576 176.268 174.600 0.154 0.000 1.025 97 S CA 1.044 59.316 58.200 0.119 0.000 0.993 97 S CB -0.168 63.091 63.200 0.099 0.000 0.808 97 S HN 0.624 nan 8.310 nan 0.000 0.478 98 Q N -0.173 119.698 119.800 0.118 0.000 2.230 98 Q HA 0.161 4.501 4.340 -0.000 0.000 0.202 98 Q C 1.884 177.982 176.000 0.162 0.000 0.963 98 Q CA 0.829 56.703 55.803 0.117 0.000 0.866 98 Q CB -0.193 28.579 28.738 0.057 0.000 0.931 98 Q HN 0.400 nan 8.270 nan 0.000 0.452 99 L N 0.203 121.510 121.223 0.140 0.000 2.131 99 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 99 L C 2.041 178.987 176.870 0.126 0.000 1.087 99 L CA 1.483 56.393 54.840 0.116 0.000 0.767 99 L CB -0.270 41.832 42.059 0.072 0.000 0.917 99 L HN 0.046 nan 8.230 nan 0.000 0.441 100 R N -1.643 118.938 120.500 0.135 0.000 2.120 100 R HA -0.238 4.102 4.340 -0.000 0.000 0.234 100 R C 2.143 178.508 176.300 0.109 0.000 1.123 100 R CA 1.339 57.502 56.100 0.104 0.000 0.975 100 R CB -0.512 29.851 30.300 0.106 0.000 0.866 100 R HN 0.480 nan 8.270 nan 0.000 0.446 101 W N 1.116 122.423 121.300 0.013 0.000 2.350 101 W HA -0.183 4.477 4.660 -0.000 0.000 0.289 101 W C 0.913 177.431 176.519 -0.001 0.000 1.215 101 W CA 1.063 58.412 57.345 0.006 0.000 1.236 101 W CB 0.033 29.498 29.460 0.009 0.000 1.130 101 W HN 0.080 nan 8.180 nan 0.000 0.541 102 L N 0.361 121.682 121.223 0.163 0.000 2.551 102 L HA 0.058 4.398 4.340 -0.000 0.000 0.228 102 L C 1.959 178.815 176.870 -0.023 0.000 1.153 102 L CA 1.660 56.547 54.840 0.078 0.000 0.851 102 L CB -1.068 41.049 42.059 0.097 0.000 0.959 102 L HN -0.040 nan 8.230 nan 0.000 0.451 103 G N -0.972 107.789 108.800 -0.065 0.000 2.694 103 G HA2 0.287 4.247 3.960 -0.000 0.000 0.212 103 G HA3 0.287 4.247 3.960 -0.000 0.000 0.212 103 G C -2.347 172.447 174.900 -0.176 0.000 2.030 103 G CA 0.096 45.134 45.100 -0.103 0.000 0.731 103 G HN 0.088 nan 8.290 nan 0.000 0.795 104 P HA 0.322 nan 4.420 nan 0.000 0.286 104 P C -0.927 176.242 177.300 -0.219 0.000 1.261 104 P CA -0.021 62.999 63.100 -0.133 0.000 0.821 104 P CB 1.501 33.149 31.700 -0.087 0.000 1.013 105 E N 0.473 120.471 120.200 -0.337 0.000 2.252 105 E HA -0.219 4.131 4.350 -0.000 0.000 0.218 105 E C -0.075 176.072 176.600 -0.755 0.000 1.253 105 E CA 0.834 56.629 56.400 -1.009 0.000 0.705 105 E CB -1.487 27.807 29.700 -0.676 0.000 1.172 105 E HN 0.622 nan 8.360 nan 0.000 0.369 106 K N -2.089 118.127 120.400 -0.306 0.000 2.625 106 K HA 0.617 4.937 4.320 -0.000 0.000 0.284 106 K C 0.256 176.855 176.600 -0.001 0.000 0.984 106 K CA -0.636 55.594 56.287 -0.095 0.000 0.865 106 K CB 1.393 33.819 32.500 -0.123 0.000 1.468 106 K HN 0.322 nan 8.250 nan 0.000 0.407 107 G N 0.432 109.230 108.800 -0.003 0.000 2.645 107 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 107 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 107 G C 0.645 175.551 174.900 0.010 0.000 1.322 107 G CA -0.013 45.078 45.100 -0.014 0.000 0.898 107 G HN 0.667 nan 8.290 nan 0.000 0.573 108 V N -0.279 119.631 119.914 -0.008 0.000 2.250 108 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 108 V C 2.916 179.017 176.094 0.011 0.000 1.060 108 V CA 3.540 65.835 62.300 -0.007 0.000 1.030 108 V CB -0.744 31.071 31.823 -0.013 0.000 0.643 108 V HN 0.731 nan 8.190 nan 0.000 0.445 109 M N -0.492 119.124 119.600 0.027 0.000 2.117 109 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 109 M C 2.062 178.404 176.300 0.069 0.000 1.065 109 M CA 1.966 57.287 55.300 0.036 0.000 1.114 109 M CB -0.951 31.675 32.600 0.043 0.000 1.361 109 M HN 0.507 nan 8.290 nan 0.000 0.408 110 H N -0.926 118.130 119.070 -0.023 0.000 2.423 110 H HA 0.032 4.588 4.556 -0.000 0.000 0.297 110 H C 1.724 177.046 175.328 -0.010 0.000 1.075 110 H CA 1.918 57.956 56.048 -0.016 0.000 1.342 110 H CB 0.014 29.768 29.762 -0.013 0.000 1.395 110 H HN 0.377 nan 8.280 nan 0.000 0.530 111 M N -0.976 118.623 119.600 -0.001 0.000 2.200 111 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 111 M C 2.585 178.851 176.300 -0.056 0.000 1.066 111 M CA 1.150 56.417 55.300 -0.054 0.000 1.127 111 M CB -0.176 32.410 32.600 -0.023 0.000 1.379 111 M HN 0.397 nan 8.290 nan 0.000 0.420 112 A N 1.065 123.864 122.820 -0.035 0.000 1.883 112 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 112 A C 2.068 179.621 177.584 -0.051 0.000 1.186 112 A CA 1.568 53.585 52.037 -0.033 0.000 0.624 112 A CB -0.946 18.037 19.000 -0.029 0.000 0.822 112 A HN 0.432 nan 8.150 nan 0.000 0.444 113 I N -0.372 120.151 120.570 -0.079 0.000 2.127 113 I HA -0.246 3.924 4.170 -0.000 0.000 0.241 113 I C 2.703 178.769 176.117 -0.086 0.000 1.075 113 I CA 1.318 62.558 61.300 -0.100 0.000 1.334 113 I CB -0.694 37.242 38.000 -0.108 0.000 1.040 113 I HN 0.416 nan 8.210 nan 0.000 0.405 114 G N 0.165 108.878 108.800 -0.146 0.000 2.462 114 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 114 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 114 G C 1.776 176.680 174.900 0.007 0.000 1.121 114 G CA 0.861 45.906 45.100 -0.090 0.000 0.758 114 G HN 0.518 nan 8.290 nan 0.000 0.559 115 A N 0.111 122.934 122.820 0.004 0.000 1.897 115 A HA 0.173 4.493 4.320 -0.000 0.000 0.215 115 A C 2.574 180.203 177.584 0.074 0.000 1.181 115 A CA 1.538 53.596 52.037 0.035 0.000 0.620 115 A CB -0.498 18.516 19.000 0.024 0.000 0.821 115 A HN 0.219 nan 8.150 nan 0.000 0.443 116 V N 0.505 120.461 119.914 0.070 0.000 2.343 116 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 116 V C 2.423 178.679 176.094 0.271 0.000 1.051 116 V CA 2.040 64.418 62.300 0.129 0.000 1.036 116 V CB -0.768 31.107 31.823 0.087 0.000 0.654 116 V HN 0.559 nan 8.190 nan 0.000 0.451 117 I N 0.468 121.198 120.570 0.266 0.000 2.179 117 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 117 I C 2.406 178.821 176.117 0.496 0.000 1.088 117 I CA 1.548 63.108 61.300 0.434 0.000 1.357 117 I CB -0.553 37.631 38.000 0.306 0.000 1.051 117 I HN 0.358 nan 8.210 nan 0.000 0.409 118 N N 1.127 120.038 118.700 0.351 0.000 2.166 118 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 118 N C 1.874 177.629 175.510 0.407 0.000 1.019 118 N CA 1.536 54.842 53.050 0.426 0.000 0.856 118 N CB -0.335 38.294 38.487 0.237 0.000 0.993 118 N HN 0.364 nan 8.380 nan 0.000 0.426 119 A N 0.862 123.824 122.820 0.237 0.000 1.972 119 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 119 A C 2.339 179.971 177.584 0.079 0.000 1.169 119 A CA 1.766 53.883 52.037 0.133 0.000 0.635 119 A CB -0.596 18.425 19.000 0.036 0.000 0.810 119 A HN 0.315 nan 8.150 nan 0.000 0.446 120 A N -1.590 121.282 122.820 0.086 0.000 1.929 120 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 120 A C 1.899 179.389 177.584 -0.156 0.000 1.176 120 A CA 1.213 53.151 52.037 -0.164 0.000 0.628 120 A CB -0.777 18.001 19.000 -0.370 0.000 0.816 120 A HN 0.716 nan 8.150 nan 0.000 0.444 121 W N 0.029 121.290 121.300 -0.064 0.000 2.425 121 W HA -0.035 4.625 4.660 -0.000 0.000 0.277 121 W C 1.886 178.245 176.519 -0.266 0.000 1.231 121 W CA 1.186 58.433 57.345 -0.163 0.000 1.248 121 W CB -0.165 29.239 29.460 -0.093 0.000 1.117 121 W HN 0.491 nan 8.180 nan 0.000 0.568 122 D N -0.023 120.468 120.400 0.152 0.000 2.097 122 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 122 D C 2.160 178.418 176.300 -0.071 0.000 0.984 122 D CA 1.217 55.276 54.000 0.098 0.000 0.826 122 D CB -0.407 40.548 40.800 0.257 0.000 0.973 122 D HN 0.058 nan 8.370 nan 0.000 0.460 123 L N 0.049 121.209 121.223 -0.106 0.000 1.990 123 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 123 L C 2.318 179.031 176.870 -0.262 0.000 1.072 123 L CA 1.726 56.464 54.840 -0.169 0.000 0.755 123 L CB -0.479 41.456 42.059 -0.208 0.000 0.889 123 L HN 0.126 nan 8.230 nan 0.000 0.432 124 A N -0.506 122.074 122.820 -0.401 0.000 1.940 124 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 124 A C 2.382 179.474 177.584 -0.821 0.000 1.176 124 A CA 1.794 53.488 52.037 -0.572 0.000 0.631 124 A CB -0.768 17.792 19.000 -0.733 0.000 0.814 124 A HN 0.595 nan 8.150 nan 0.000 0.446 125 A N -0.327 121.961 122.820 -0.887 0.000 1.873 125 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 125 A C 2.191 179.618 177.584 -0.261 0.000 1.186 125 A CA 1.339 52.967 52.037 -0.681 0.000 0.616 125 A CB -0.423 18.295 19.000 -0.470 0.000 0.823 125 A HN 0.404 nan 8.150 nan 0.000 0.442 126 R N 0.018 120.411 120.500 -0.178 0.000 2.091 126 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 126 R C 2.338 178.601 176.300 -0.062 0.000 1.136 126 R CA 1.536 57.594 56.100 -0.069 0.000 0.959 126 R CB -1.404 28.883 30.300 -0.022 0.000 0.856 126 R HN 0.527 nan 8.270 nan 0.000 0.437 127 A N 1.149 123.911 122.820 -0.096 0.000 1.933 127 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 127 A C 2.186 179.759 177.584 -0.017 0.000 1.175 127 A CA 1.659 53.660 52.037 -0.059 0.000 0.628 127 A CB -0.370 18.582 19.000 -0.080 0.000 0.814 127 A HN 0.349 nan 8.150 nan 0.000 0.444 128 A N -1.307 121.515 122.820 0.003 0.000 2.251 128 A HA 0.192 4.512 4.320 -0.000 0.000 0.209 128 A C 0.847 178.460 177.584 0.048 0.000 1.187 128 A CA 0.408 52.498 52.037 0.088 0.000 0.823 128 A CB -0.466 18.716 19.000 0.303 0.000 0.846 128 A HN 0.495 nan 8.150 nan 0.000 0.486 129 N N -0.169 118.538 118.700 0.011 0.000 2.671 129 N HA -0.158 4.582 4.740 -0.000 0.000 0.261 129 N C -0.609 174.905 175.510 0.006 0.000 1.053 129 N CA 1.660 54.714 53.050 0.007 0.000 0.732 129 N CB -0.924 37.569 38.487 0.010 0.000 0.887 129 N HN 0.908 nan 8.380 nan 0.000 0.546 130 K N -1.855 118.542 120.400 -0.004 0.000 2.642 130 K HA 0.493 4.813 4.320 -0.000 0.000 0.290 130 K C -3.326 173.240 176.600 -0.057 0.000 1.006 130 K CA -1.439 54.829 56.287 -0.032 0.000 0.869 130 K CB 1.707 34.180 32.500 -0.045 0.000 1.499 130 K HN -0.199 nan 8.250 nan 0.000 0.403 131 P HA -0.036 nan 4.420 nan 0.000 0.271 131 P C 0.653 177.855 177.300 -0.162 0.000 1.216 131 P CA -0.465 62.608 63.100 -0.044 0.000 0.776 131 P CB 0.791 32.491 31.700 0.001 0.000 0.881 132 L N 5.315 126.390 121.223 -0.246 0.000 2.043 132 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 132 L C 2.316 179.196 176.870 0.016 0.000 1.075 132 L CA 1.824 56.499 54.840 -0.275 0.000 0.752 132 L CB -1.557 40.009 42.059 -0.822 0.000 0.891 132 L HN 0.569 nan 8.230 nan 0.000 0.432 133 W N -0.522 120.938 121.300 0.266 0.000 2.350 133 W HA -0.202 4.458 4.660 -0.000 0.000 0.289 133 W C 2.014 178.617 176.519 0.140 0.000 1.215 133 W CA 1.010 58.474 57.345 0.197 0.000 1.236 133 W CB -1.067 28.508 29.460 0.191 0.000 1.130 133 W HN 0.169 nan 8.180 nan 0.000 0.541 134 R N -0.263 119.809 120.500 -0.714 0.000 2.100 134 R HA -0.055 4.285 4.340 -0.000 0.000 0.220 134 R C 2.289 178.456 176.300 -0.221 0.000 1.091 134 R CA 1.258 56.944 56.100 -0.691 0.000 0.986 134 R CB -0.922 28.781 30.300 -0.995 0.000 0.888 134 R HN 0.141 nan 8.270 nan 0.000 0.444 135 F N 1.735 121.539 119.950 -0.243 0.000 2.095 135 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 135 F C 1.954 177.742 175.800 -0.020 0.000 1.104 135 F CA 1.553 59.485 58.000 -0.114 0.000 1.232 135 F CB -0.147 38.802 39.000 -0.085 0.000 0.987 135 F HN -0.106 nan 8.300 nan 0.000 0.475 136 I N -0.030 120.623 120.570 0.140 0.000 2.252 136 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 136 I C 2.614 178.732 176.117 0.002 0.000 1.102 136 I CA 1.097 62.460 61.300 0.105 0.000 1.385 136 I CB -0.896 37.181 38.000 0.128 0.000 1.064 136 I HN 0.225 nan 8.210 nan 0.000 0.414 137 A N 0.351 123.182 122.820 0.018 0.000 2.015 137 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 137 A C 2.129 179.683 177.584 -0.049 0.000 1.163 137 A CA 1.218 53.268 52.037 0.021 0.000 0.646 137 A CB -0.258 18.808 19.000 0.110 0.000 0.806 137 A HN 0.329 nan 8.150 nan 0.000 0.448 138 E N 0.116 120.243 120.200 -0.122 0.000 2.170 138 E HA 0.066 4.416 4.350 -0.000 0.000 0.191 138 E C 0.563 177.066 176.600 -0.162 0.000 0.981 138 E CA -0.068 56.247 56.400 -0.142 0.000 0.830 138 E CB -0.478 29.114 29.700 -0.180 0.000 0.775 138 E HN 0.596 nan 8.360 nan 0.000 0.470 139 L N 2.775 123.865 121.223 -0.222 0.000 2.573 139 L HA -0.051 4.289 4.340 -0.000 0.000 0.290 139 L C 1.082 177.891 176.870 -0.101 0.000 1.247 139 L CA 0.201 54.920 54.840 -0.201 0.000 0.876 139 L CB -0.245 41.701 42.059 -0.189 0.000 1.123 139 L HN 0.109 nan 8.230 nan 0.000 0.505 140 T N -0.011 114.492 114.554 -0.084 0.000 2.860 140 T HA 0.132 4.482 4.350 -0.000 0.000 0.299 140 T C -1.799 172.888 174.700 -0.021 0.000 1.045 140 T CA -1.529 60.542 62.100 -0.048 0.000 1.071 140 T CB 1.097 69.940 68.868 -0.042 0.000 0.985 140 T HN 0.375 nan 8.240 nan 0.000 0.537 141 P HA -0.126 nan 4.420 nan 0.000 0.215 141 P C 1.592 178.909 177.300 0.028 0.000 1.157 141 P CA 1.115 64.224 63.100 0.014 0.000 0.868 141 P CB 0.049 31.755 31.700 0.010 0.000 0.788 142 E N 0.051 120.259 120.200 0.014 0.000 2.065 142 E HA -0.305 4.045 4.350 -0.000 0.000 0.201 142 E C 2.021 178.641 176.600 0.033 0.000 1.016 142 E CA 1.603 58.014 56.400 0.019 0.000 0.818 142 E CB -0.381 29.320 29.700 0.002 0.000 0.749 142 E HN 0.275 nan 8.360 nan 0.000 0.453 143 Q N -0.286 119.521 119.800 0.012 0.000 2.135 143 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 143 Q C 2.341 178.376 176.000 0.058 0.000 0.981 143 Q CA 1.174 56.984 55.803 0.012 0.000 0.856 143 Q CB -0.034 28.680 28.738 -0.039 0.000 0.902 143 Q HN 0.324 nan 8.270 nan 0.000 0.425 144 L N -0.156 121.109 121.223 0.070 0.000 1.976 144 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 144 L C 2.397 179.361 176.870 0.157 0.000 1.071 144 L CA 1.399 56.312 54.840 0.122 0.000 0.746 144 L CB -1.340 40.773 42.059 0.091 0.000 0.890 144 L HN 0.142 nan 8.230 nan 0.000 0.432 145 V N 0.258 120.270 119.914 0.163 0.000 2.380 145 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 145 V C 2.162 178.426 176.094 0.284 0.000 1.063 145 V CA 1.705 64.166 62.300 0.267 0.000 1.055 145 V CB -0.625 31.351 31.823 0.255 0.000 0.657 145 V HN 0.377 nan 8.190 nan 0.000 0.455 146 D N 0.209 120.719 120.400 0.184 0.000 2.265 146 D HA -0.128 4.511 4.640 -0.000 0.000 0.208 146 D C 2.293 178.693 176.300 0.167 0.000 0.977 146 D CA 1.785 55.880 54.000 0.157 0.000 0.871 146 D CB -0.214 40.642 40.800 0.094 0.000 0.925 146 D HN 0.675 nan 8.370 nan 0.000 0.485 147 T N -1.848 112.819 114.554 0.188 0.000 3.081 147 T HA 0.039 4.389 4.350 -0.000 0.000 0.255 147 T C 1.130 175.933 174.700 0.171 0.000 1.113 147 T CA -0.324 61.911 62.100 0.226 0.000 1.082 147 T CB -0.026 69.082 68.868 0.400 0.000 0.939 147 T HN 0.204 nan 8.240 nan 0.000 0.506 148 I N 0.874 121.497 120.570 0.089 0.000 2.577 148 I HA 0.460 4.630 4.170 -0.000 0.000 0.300 148 I C -1.025 175.008 176.117 -0.140 0.000 0.990 148 I CA -0.775 60.458 61.300 -0.113 0.000 1.283 148 I CB 1.365 39.123 38.000 -0.404 0.000 1.411 148 I HN -0.147 nan 8.210 nan 0.000 0.515 149 D N 5.743 126.038 120.400 -0.175 0.000 2.428 149 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 149 D C 0.039 176.234 176.300 -0.174 0.000 1.123 149 D CA -0.161 53.793 54.000 -0.076 0.000 0.869 149 D CB 0.385 41.176 40.800 -0.015 0.000 1.032 149 D HN 0.463 nan 8.370 nan 0.000 0.506 150 F N 1.740 121.698 119.950 0.013 0.000 2.811 150 F HA 0.127 4.654 4.527 -0.000 0.000 0.301 150 F C 1.685 177.472 175.800 -0.021 0.000 1.151 150 F CA -0.193 57.815 58.000 0.014 0.000 1.412 150 F CB -0.064 38.946 39.000 0.017 0.000 1.113 150 F HN 0.143 nan 8.300 nan 0.000 0.579 151 R N 0.315 120.828 120.500 0.023 0.000 2.537 151 R HA -0.061 4.279 4.340 -0.000 0.000 0.280 151 R C -0.257 175.951 176.300 -0.154 0.000 1.058 151 R CA 0.215 56.196 56.100 -0.199 0.000 1.057 151 R CB 0.011 30.039 30.300 -0.453 0.000 0.973 151 R HN 0.316 nan 8.270 nan 0.000 0.438 152 Y N 1.488 121.836 120.300 0.079 0.000 4.841 152 Y HA -0.249 4.301 4.550 -0.000 0.000 0.242 152 Y C 0.424 176.370 175.900 0.077 0.000 1.002 152 Y CA 0.554 58.691 58.100 0.062 0.000 2.011 152 Y CB -1.874 36.608 38.460 0.038 0.000 1.554 152 Y HN 0.657 nan 8.280 nan 0.000 0.618 153 L N -1.022 120.332 121.223 0.218 0.000 2.966 153 L HA 0.126 4.466 4.340 -0.000 0.000 0.262 153 L C 1.894 178.887 176.870 0.205 0.000 1.165 153 L CA 0.785 55.746 54.840 0.202 0.000 0.978 153 L CB 0.184 42.352 42.059 0.180 0.000 1.337 153 L HN 0.243 nan 8.230 nan 0.000 0.563 154 S N -0.383 115.424 115.700 0.179 0.000 2.440 154 S HA -0.184 4.286 4.470 -0.000 0.000 0.238 154 S C 1.380 176.052 174.600 0.120 0.000 1.010 154 S CA 1.320 59.603 58.200 0.139 0.000 0.972 154 S CB -0.386 62.872 63.200 0.096 0.000 0.774 154 S HN 0.576 nan 8.310 nan 0.000 0.501 155 D N 1.125 121.603 120.400 0.131 0.000 2.355 155 D HA 0.269 4.909 4.640 -0.000 0.000 0.218 155 D C 1.306 177.694 176.300 0.146 0.000 1.004 155 D CA 0.807 54.879 54.000 0.119 0.000 0.880 155 D CB 0.012 40.880 40.800 0.113 0.000 0.911 155 D HN 0.607 nan 8.370 nan 0.000 0.528 156 A N -0.469 122.461 122.820 0.182 0.000 1.895 156 A HA 0.374 4.694 4.320 -0.000 0.000 0.198 156 A C 0.172 177.886 177.584 0.216 0.000 1.709 156 A CA -0.126 52.059 52.037 0.247 0.000 1.194 156 A CB 0.647 19.867 19.000 0.367 0.000 1.260 156 A HN 0.145 nan 8.150 nan 0.000 0.441 157 L N 1.705 123.060 121.223 0.221 0.000 2.491 157 L HA 0.546 4.886 4.340 -0.000 0.000 0.267 157 L C -0.189 176.871 176.870 0.316 0.000 0.971 157 L CA 0.183 55.167 54.840 0.240 0.000 0.857 157 L CB 1.625 43.836 42.059 0.254 0.000 1.226 157 L HN 0.334 nan 8.230 nan 0.000 0.408 158 T N 0.499 115.161 114.554 0.180 0.000 2.927 158 T HA 0.395 4.745 4.350 -0.000 0.000 0.281 158 T C 1.160 175.744 174.700 -0.193 0.000 0.998 158 T CA -0.070 62.038 62.100 0.013 0.000 1.019 158 T CB 1.266 70.104 68.868 -0.050 0.000 1.061 158 T HN 0.751 nan 8.240 nan 0.000 0.518 159 R N 0.479 120.488 120.500 -0.820 0.000 2.152 159 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 159 R C 1.193 177.330 176.300 -0.272 0.000 1.117 159 R CA 1.654 57.188 56.100 -0.942 0.000 0.981 159 R CB -0.621 29.045 30.300 -1.057 0.000 0.870 159 R HN 0.633 nan 8.270 nan 0.000 0.451 160 D N 0.937 121.222 120.400 -0.192 0.000 2.123 160 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 160 D C 1.598 177.879 176.300 -0.032 0.000 0.976 160 D CA 1.368 55.315 54.000 -0.089 0.000 0.831 160 D CB -0.096 40.658 40.800 -0.076 0.000 0.974 160 D HN 0.488 nan 8.370 nan 0.000 0.469 161 E N 0.812 121.005 120.200 -0.011 0.000 2.110 161 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 161 E C 2.085 178.720 176.600 0.059 0.000 0.988 161 E CA 0.859 57.273 56.400 0.023 0.000 0.804 161 E CB 0.018 29.740 29.700 0.037 0.000 0.745 161 E HN 0.153 nan 8.360 nan 0.000 0.458 162 A N 0.878 123.764 122.820 0.110 0.000 1.898 162 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 162 A C 2.138 179.782 177.584 0.102 0.000 1.181 162 A CA 0.972 53.107 52.037 0.164 0.000 0.620 162 A CB -0.499 18.718 19.000 0.362 0.000 0.819 162 A HN 0.139 nan 8.150 nan 0.000 0.442 163 L N -0.902 120.357 121.223 0.061 0.000 2.093 163 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 163 L C 3.083 179.965 176.870 0.021 0.000 1.085 163 L CA 0.902 55.763 54.840 0.035 0.000 0.755 163 L CB -0.445 41.617 42.059 0.006 0.000 0.904 163 L HN 0.436 nan 8.230 nan 0.000 0.435 164 A N 0.333 123.161 122.820 0.014 0.000 1.902 164 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 164 A C 2.201 179.792 177.584 0.010 0.000 1.181 164 A CA 1.517 53.557 52.037 0.006 0.000 0.623 164 A CB -0.640 18.360 19.000 0.000 0.000 0.818 164 A HN 0.344 nan 8.150 nan 0.000 0.443 165 I N -0.340 120.243 120.570 0.021 0.000 2.179 165 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 165 I C 2.293 178.420 176.117 0.016 0.000 1.088 165 I CA 1.222 62.534 61.300 0.020 0.000 1.357 165 I CB -0.353 37.668 38.000 0.034 0.000 1.051 165 I HN 0.283 nan 8.210 nan 0.000 0.409 166 L N 0.030 121.268 121.223 0.024 0.000 2.201 166 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 166 L C 2.631 179.504 176.870 0.004 0.000 1.105 166 L CA 1.158 56.008 54.840 0.018 0.000 0.775 166 L CB -0.490 41.588 42.059 0.032 0.000 0.913 166 L HN 0.182 nan 8.230 nan 0.000 0.440 167 R N -0.346 120.156 120.500 0.004 0.000 2.119 167 R HA -0.083 4.257 4.340 -0.000 0.000 0.222 167 R C 1.742 178.037 176.300 -0.009 0.000 1.088 167 R CA 0.923 57.020 56.100 -0.004 0.000 0.984 167 R CB -0.101 30.196 30.300 -0.004 0.000 0.884 167 R HN 0.275 nan 8.270 nan 0.000 0.447 168 D N 0.634 121.029 120.400 -0.008 0.000 2.178 168 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 168 D C 1.471 177.760 176.300 -0.019 0.000 0.974 168 D CA 1.281 55.275 54.000 -0.011 0.000 0.841 168 D CB -0.013 40.782 40.800 -0.008 0.000 0.953 168 D HN 0.234 nan 8.370 nan 0.000 0.478 169 A N 0.197 123.004 122.820 -0.022 0.000 2.178 169 A HA -0.042 4.278 4.320 -0.000 0.000 0.211 169 A C 1.985 179.545 177.584 -0.040 0.000 1.157 169 A CA 0.359 52.373 52.037 -0.038 0.000 0.780 169 A CB -0.293 18.681 19.000 -0.042 0.000 0.828 169 A HN 0.120 nan 8.150 nan 0.000 0.476 170 Q N 0.207 119.990 119.800 -0.028 0.000 2.096 170 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 170 Q C -0.774 175.209 176.000 -0.028 0.000 0.982 170 Q CA 2.071 57.858 55.803 -0.026 0.000 0.850 170 Q CB -0.699 28.027 28.738 -0.020 0.000 0.901 170 Q HN 0.485 nan 8.270 nan 0.000 0.422 171 P HA -0.138 nan 4.420 nan 0.000 0.216 171 P C 0.462 177.745 177.300 -0.029 0.000 1.153 171 P CA 1.289 64.374 63.100 -0.024 0.000 0.848 171 P CB 0.058 31.746 31.700 -0.020 0.000 0.787 172 Q N -1.379 118.396 119.800 -0.041 0.000 2.444 172 Q HA 0.089 4.429 4.340 -0.000 0.000 0.206 172 Q C 1.858 177.816 176.000 -0.069 0.000 0.948 172 Q CA 0.341 56.112 55.803 -0.054 0.000 0.946 172 Q CB -0.449 28.247 28.738 -0.070 0.000 1.027 172 Q HN 0.167 nan 8.270 nan 0.000 0.513 173 R N 0.039 120.506 120.500 -0.056 0.000 2.091 173 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 173 R C 2.028 178.319 176.300 -0.016 0.000 1.136 173 R CA 1.542 57.613 56.100 -0.048 0.000 0.959 173 R CB -0.385 29.896 30.300 -0.031 0.000 0.856 173 R HN 0.311 nan 8.270 nan 0.000 0.437 174 A N 0.787 123.603 122.820 -0.006 0.000 1.898 174 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 174 A C 2.312 179.912 177.584 0.027 0.000 1.181 174 A CA 1.577 53.624 52.037 0.016 0.000 0.620 174 A CB -0.634 18.372 19.000 0.009 0.000 0.819 174 A HN 0.413 nan 8.150 nan 0.000 0.442 175 A N 0.099 122.923 122.820 0.007 0.000 1.858 175 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 175 A C 2.221 179.820 177.584 0.026 0.000 1.190 175 A CA 1.475 53.520 52.037 0.015 0.000 0.617 175 A CB -0.531 18.468 19.000 -0.001 0.000 0.827 175 A HN 0.530 nan 8.150 nan 0.000 0.443 176 R N -0.760 119.718 120.500 -0.037 0.000 2.127 176 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 176 R C 2.175 178.535 176.300 0.098 0.000 1.134 176 R CA 1.747 57.794 56.100 -0.089 0.000 0.975 176 R CB -0.825 29.180 30.300 -0.492 0.000 0.865 176 R HN 0.553 nan 8.270 nan 0.000 0.447 177 T N 0.942 115.563 114.554 0.113 0.000 2.746 177 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 177 T C 2.000 176.833 174.700 0.221 0.000 1.039 177 T CA 1.388 63.632 62.100 0.240 0.000 1.142 177 T CB -0.211 68.788 68.868 0.218 0.000 0.866 177 T HN 0.390 nan 8.240 nan 0.000 0.444 178 A N 1.536 124.444 122.820 0.147 0.000 1.877 178 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 178 A C 2.576 180.228 177.584 0.114 0.000 1.186 178 A CA 2.168 54.276 52.037 0.118 0.000 0.620 178 A CB -1.399 17.648 19.000 0.079 0.000 0.822 178 A HN 0.466 nan 8.150 nan 0.000 0.443 179 T N 0.281 114.912 114.554 0.128 0.000 2.665 179 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 179 T C 1.853 176.609 174.700 0.093 0.000 1.035 179 T CA 1.534 63.707 62.100 0.121 0.000 1.151 179 T CB -0.454 68.531 68.868 0.197 0.000 0.862 179 T HN 0.374 nan 8.240 nan 0.000 0.438 180 L N 0.273 121.590 121.223 0.157 0.000 2.046 180 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 180 L C 2.243 179.093 176.870 -0.033 0.000 1.077 180 L CA 1.430 56.285 54.840 0.025 0.000 0.747 180 L CB -0.265 41.817 42.059 0.038 0.000 0.896 180 L HN 0.303 nan 8.230 nan 0.000 0.432 181 I N -0.541 120.060 120.570 0.051 0.000 2.676 181 I HA -0.224 3.946 4.170 -0.000 0.000 0.259 181 I C 2.323 178.461 176.117 0.036 0.000 1.194 181 I CA 0.759 62.101 61.300 0.071 0.000 1.473 181 I CB -0.091 38.003 38.000 0.157 0.000 1.096 181 I HN 0.344 nan 8.210 nan 0.000 0.443 182 E N 1.347 121.564 120.200 0.028 0.000 2.024 182 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 182 E C 2.094 178.680 176.600 -0.023 0.000 0.974 182 E CA 1.369 57.773 56.400 0.008 0.000 0.810 182 E CB -0.031 29.680 29.700 0.017 0.000 0.775 182 E HN 0.418 nan 8.360 nan 0.000 0.453 183 Q N -0.399 119.376 119.800 -0.041 0.000 2.302 183 Q HA 0.281 4.621 4.340 -0.000 0.000 0.202 183 Q C 0.671 176.613 176.000 -0.098 0.000 0.936 183 Q CA 0.390 56.148 55.803 -0.075 0.000 0.886 183 Q CB 0.766 29.449 28.738 -0.092 0.000 0.986 183 Q HN 0.334 nan 8.270 nan 0.000 0.487 184 G N 0.711 109.448 108.800 -0.104 0.000 2.685 184 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.387 184 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.387 184 G C -1.641 173.189 174.900 -0.115 0.000 1.324 184 G CA -0.594 44.450 45.100 -0.094 0.000 0.878 184 G HN 0.195 nan 8.290 nan 0.000 0.527 185 Y N 1.158 121.357 120.300 -0.168 0.000 2.341 185 Y HA 0.610 5.160 4.550 -0.000 0.000 0.338 185 Y C -2.072 173.788 175.900 -0.067 0.000 0.965 185 Y CA -2.154 55.836 58.100 -0.185 0.000 1.108 185 Y CB 2.232 40.564 38.460 -0.212 0.000 1.180 185 Y HN 0.474 nan 8.280 nan 0.000 0.458 186 P HA 0.151 nan 4.420 nan 0.000 0.262 186 P C -1.236 176.234 177.300 0.283 0.000 1.182 186 P CA 0.510 63.620 63.100 0.016 0.000 0.761 186 P CB 0.613 32.242 31.700 -0.117 0.000 0.795 187 A N 3.698 126.679 122.820 0.269 0.000 2.386 187 A HA 0.833 5.153 4.320 -0.000 0.000 0.308 187 A C -1.359 176.543 177.584 0.530 0.000 1.128 187 A CA -0.545 51.734 52.037 0.404 0.000 0.789 187 A CB 1.089 20.229 19.000 0.233 0.000 1.325 187 A HN 0.609 nan 8.150 nan 0.000 0.437 188 Y N -1.328 119.256 120.300 0.473 0.000 2.581 188 Y HA 0.811 5.361 4.550 -0.000 0.000 0.345 188 Y C -0.385 175.636 175.900 0.202 0.000 1.036 188 Y CA -0.583 57.744 58.100 0.379 0.000 1.042 188 Y CB 1.592 40.275 38.460 0.371 0.000 1.289 188 Y HN 0.708 nan 8.280 nan 0.000 0.471 189 T N 0.532 115.139 114.554 0.090 0.000 2.887 189 T HA 0.425 4.774 4.350 -0.000 0.000 0.288 189 T C -0.130 174.536 174.700 -0.056 0.000 1.021 189 T CA -0.373 61.611 62.100 -0.193 0.000 1.000 189 T CB 1.538 69.944 68.868 -0.769 0.000 1.034 189 T HN 0.867 nan 8.240 nan 0.000 0.467 190 T N 2.514 116.984 114.554 -0.139 0.000 3.054 190 T HA 0.132 4.482 4.350 -0.000 0.000 0.255 190 T C 2.074 176.488 174.700 -0.476 0.000 1.035 190 T CA -0.004 61.912 62.100 -0.306 0.000 0.941 190 T CB 0.070 68.695 68.868 -0.406 0.000 1.026 190 T HN 0.555 nan 8.240 nan 0.000 0.533 191 S N 2.809 118.404 115.700 -0.175 0.000 2.380 191 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 191 S C -0.257 174.400 174.600 0.096 0.000 1.043 191 S CA 1.410 59.652 58.200 0.070 0.000 1.038 191 S CB -0.789 62.476 63.200 0.108 0.000 0.872 191 S HN 0.547 nan 8.310 nan 0.000 0.456 192 P HA 0.129 nan 4.420 nan 0.000 0.240 192 P C 1.114 178.448 177.300 0.056 0.000 1.190 192 P CA 0.826 63.975 63.100 0.083 0.000 0.781 192 P CB -0.248 31.454 31.700 0.004 0.000 0.931 193 G N -0.880 107.786 108.800 -0.223 0.000 2.985 193 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.209 193 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.209 193 G C 0.027 174.729 174.900 -0.330 0.000 1.165 193 G CA -0.457 44.477 45.100 -0.277 0.000 0.776 193 G HN 0.163 nan 8.290 nan 0.000 0.541 194 W N -0.049 121.116 121.300 -0.224 0.000 2.231 194 W HA 0.388 5.048 4.660 -0.000 0.000 0.341 194 W C 0.397 176.639 176.519 -0.461 0.000 1.298 194 W CA -1.185 55.889 57.345 -0.451 0.000 1.266 194 W CB 0.549 29.539 29.460 -0.783 0.000 1.172 194 W HN -0.133 nan 8.180 nan 0.000 0.568 195 L N 2.772 123.992 121.223 -0.005 0.000 2.439 195 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 195 L C 1.239 178.070 176.870 -0.064 0.000 1.179 195 L CA 1.638 56.466 54.840 -0.019 0.000 0.828 195 L CB 0.648 42.721 42.059 0.024 0.000 1.106 195 L HN 0.795 nan 8.230 nan 0.000 0.467 196 G N 1.163 109.969 108.800 0.011 0.000 2.232 196 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.226 196 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.226 196 G C -0.011 174.998 174.900 0.183 0.000 0.996 196 G CA -0.369 44.764 45.100 0.055 0.000 0.626 196 G HN 0.377 nan 8.290 nan 0.000 0.509 197 Y N 2.670 123.018 120.300 0.081 0.000 2.346 197 Y HA 0.553 5.103 4.550 -0.000 0.000 0.330 197 Y C 1.441 177.366 175.900 0.042 0.000 1.178 197 Y CA -1.070 57.070 58.100 0.066 0.000 1.331 197 Y CB 1.005 39.515 38.460 0.083 0.000 1.253 197 Y HN 0.428 nan 8.280 nan 0.000 0.529 198 S N 0.865 116.671 115.700 0.177 0.000 2.584 198 S HA 0.042 4.512 4.470 -0.000 0.000 0.270 198 S C 0.670 175.317 174.600 0.078 0.000 1.346 198 S CA -0.623 57.633 58.200 0.093 0.000 1.018 198 S CB 0.794 64.023 63.200 0.047 0.000 0.899 198 S HN 0.580 nan 8.310 nan 0.000 0.542 199 D N 1.319 121.748 120.400 0.048 0.000 2.149 199 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 199 D C 1.743 178.051 176.300 0.013 0.000 0.990 199 D CA 1.522 55.538 54.000 0.027 0.000 0.839 199 D CB -0.347 40.457 40.800 0.007 0.000 0.948 199 D HN 0.716 nan 8.370 nan 0.000 0.460 200 E N 0.676 120.881 120.200 0.007 0.000 2.051 200 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 200 E C 1.918 178.505 176.600 -0.022 0.000 0.991 200 E CA 0.848 57.243 56.400 -0.008 0.000 0.799 200 E CB -0.122 29.573 29.700 -0.009 0.000 0.748 200 E HN 0.219 nan 8.360 nan 0.000 0.449 201 K N 0.448 120.829 120.400 -0.031 0.000 2.057 201 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 201 K C 2.039 178.598 176.600 -0.069 0.000 1.049 201 K CA 0.763 56.993 56.287 -0.096 0.000 0.931 201 K CB -0.137 32.250 32.500 -0.188 0.000 0.714 201 K HN 0.135 nan 8.250 nan 0.000 0.440 202 L N 1.637 122.869 121.223 0.014 0.000 1.989 202 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 202 L C 2.301 179.176 176.870 0.007 0.000 1.071 202 L CA 2.160 57.031 54.840 0.053 0.000 0.749 202 L CB -0.995 41.107 42.059 0.073 0.000 0.890 202 L HN 0.232 nan 8.230 nan 0.000 0.431 203 V N -1.584 118.326 119.914 -0.007 0.000 2.343 203 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 203 V C 2.781 178.865 176.094 -0.016 0.000 1.051 203 V CA 1.852 64.143 62.300 -0.015 0.000 1.036 203 V CB -1.076 30.737 31.823 -0.017 0.000 0.654 203 V HN 0.499 nan 8.190 nan 0.000 0.451 204 R N -0.386 120.100 120.500 -0.024 0.000 2.080 204 R HA -0.101 4.239 4.340 -0.000 0.000 0.236 204 R C 2.348 178.633 176.300 -0.025 0.000 1.137 204 R CA 2.035 58.118 56.100 -0.028 0.000 0.943 204 R CB -0.292 29.982 30.300 -0.044 0.000 0.846 204 R HN 0.461 nan 8.270 nan 0.000 0.431 205 L N 0.533 121.736 121.223 -0.034 0.000 2.141 205 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 205 L C 2.557 179.424 176.870 -0.005 0.000 1.094 205 L CA 1.798 56.625 54.840 -0.020 0.000 0.763 205 L CB -1.541 40.506 42.059 -0.020 0.000 0.908 205 L HN 0.329 nan 8.230 nan 0.000 0.437 206 A N -0.114 122.702 122.820 -0.006 0.000 1.877 206 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 206 A C 2.364 179.952 177.584 0.006 0.000 1.186 206 A CA 1.421 53.454 52.037 -0.007 0.000 0.620 206 A CB -0.302 18.690 19.000 -0.014 0.000 0.822 206 A HN 0.334 nan 8.150 nan 0.000 0.443 207 K N -0.248 120.154 120.400 0.004 0.000 2.097 207 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 207 K C 1.906 178.518 176.600 0.020 0.000 1.049 207 K CA 1.499 57.792 56.287 0.010 0.000 0.933 207 K CB -0.198 32.304 32.500 0.003 0.000 0.717 207 K HN 0.623 nan 8.250 nan 0.000 0.442 208 E N 0.700 120.911 120.200 0.018 0.000 2.110 208 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 208 E C 2.086 178.725 176.600 0.065 0.000 0.988 208 E CA 0.954 57.372 56.400 0.030 0.000 0.804 208 E CB -0.108 29.605 29.700 0.021 0.000 0.745 208 E HN 0.312 nan 8.360 nan 0.000 0.458 209 A N 1.160 124.022 122.820 0.069 0.000 1.858 209 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 209 A C 2.532 180.243 177.584 0.211 0.000 1.190 209 A CA 1.302 53.424 52.037 0.142 0.000 0.617 209 A CB -0.760 18.246 19.000 0.010 0.000 0.827 209 A HN 0.122 nan 8.150 nan 0.000 0.443 210 V N -0.091 119.887 119.914 0.106 0.000 2.490 210 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 210 V C 2.960 179.067 176.094 0.022 0.000 1.061 210 V CA 1.792 64.136 62.300 0.074 0.000 1.064 210 V CB -1.206 30.645 31.823 0.048 0.000 0.670 210 V HN 0.626 nan 8.190 nan 0.000 0.461 211 A N -0.351 122.482 122.820 0.021 0.000 1.898 211 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 211 A C 1.937 179.474 177.584 -0.078 0.000 1.181 211 A CA 1.677 53.711 52.037 -0.005 0.000 0.620 211 A CB -0.501 18.505 19.000 0.010 0.000 0.819 211 A HN 0.491 nan 8.150 nan 0.000 0.442 212 D N -1.213 119.145 120.400 -0.069 0.000 2.378 212 D HA 0.176 4.816 4.640 -0.000 0.000 0.227 212 D C 1.383 177.294 176.300 -0.648 0.000 1.012 212 D CA 1.252 55.130 54.000 -0.203 0.000 0.905 212 D CB 0.158 40.959 40.800 0.001 0.000 0.895 212 D HN 0.643 nan 8.370 nan 0.000 0.532 213 G N 0.035 108.444 108.800 -0.650 0.000 2.218 213 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 213 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 213 G C 0.249 174.863 174.900 -0.477 0.000 0.994 213 G CA -0.523 44.006 45.100 -0.951 0.000 0.637 213 G HN 0.226 nan 8.290 nan 0.000 0.505 214 F N 1.295 121.141 119.950 -0.174 0.000 2.563 214 F HA 0.488 5.015 4.527 -0.000 0.000 0.363 214 F C 1.769 177.568 175.800 -0.002 0.000 1.123 214 F CA -0.067 57.901 58.000 -0.052 0.000 1.307 214 F CB 0.662 39.660 39.000 -0.004 0.000 1.115 214 F HN -0.136 nan 8.300 nan 0.000 0.592 215 R N 0.628 121.252 120.500 0.207 0.000 2.397 215 R HA 0.220 4.560 4.340 -0.000 0.000 0.241 215 R C -0.349 176.055 176.300 0.173 0.000 0.914 215 R CA 0.204 56.395 56.100 0.151 0.000 1.071 215 R CB 0.186 30.554 30.300 0.114 0.000 1.116 215 R HN 0.560 nan 8.270 nan 0.000 0.524 216 T N 0.534 115.232 114.554 0.239 0.000 2.956 216 T HA 0.519 4.869 4.350 -0.000 0.000 0.312 216 T C -1.066 173.728 174.700 0.157 0.000 1.151 216 T CA -0.411 61.795 62.100 0.176 0.000 1.024 216 T CB 2.252 71.267 68.868 0.246 0.000 1.140 216 T HN -0.136 nan 8.240 nan 0.000 0.473 217 I N 1.746 122.315 120.570 -0.001 0.000 2.892 217 I HA 0.696 4.866 4.170 -0.000 0.000 0.306 217 I C -1.036 174.974 176.117 -0.179 0.000 1.078 217 I CA -0.822 60.457 61.300 -0.035 0.000 1.032 217 I CB 2.154 40.123 38.000 -0.052 0.000 1.229 217 I HN 0.496 nan 8.210 nan 0.000 0.435 218 K N 5.466 125.774 120.400 -0.153 0.000 2.468 218 K HA 0.701 5.021 4.320 -0.000 0.000 0.252 218 K C -2.005 174.445 176.600 -0.249 0.000 0.932 218 K CA -0.557 55.573 56.287 -0.262 0.000 0.794 218 K CB 1.383 33.770 32.500 -0.188 0.000 1.241 218 K HN 0.551 nan 8.250 nan 0.000 0.428 219 L N 3.334 124.412 121.223 -0.242 0.000 2.342 219 L HA 0.532 4.872 4.340 -0.000 0.000 0.271 219 L C -0.226 176.536 176.870 -0.180 0.000 1.008 219 L CA -1.351 53.370 54.840 -0.200 0.000 0.818 219 L CB 1.675 43.657 42.059 -0.129 0.000 1.296 219 L HN 0.437 nan 8.230 nan 0.000 0.427 220 K N 2.407 122.708 120.400 -0.165 0.000 2.218 220 K HA 0.600 4.920 4.320 -0.000 0.000 0.276 220 K C -0.299 176.273 176.600 -0.046 0.000 1.022 220 K CA -0.236 55.984 56.287 -0.112 0.000 0.946 220 K CB 2.097 34.557 32.500 -0.067 0.000 1.000 220 K HN 0.519 nan 8.250 nan 0.000 0.468 221 V N -2.877 117.007 119.914 -0.051 0.000 3.181 221 V HA 0.862 4.982 4.120 -0.000 0.000 0.307 221 V C 0.541 176.591 176.094 -0.074 0.000 1.310 221 V CA -0.043 62.290 62.300 0.054 0.000 1.067 221 V CB 1.489 33.417 31.823 0.176 0.000 1.081 221 V HN 0.815 nan 8.190 nan 0.000 0.453 222 G N -0.923 107.921 108.800 0.074 0.000 2.211 222 G HA2 0.032 3.992 3.960 -0.000 0.000 0.201 222 G HA3 0.032 3.992 3.960 -0.000 0.000 0.201 222 G C 0.720 175.626 174.900 0.011 0.000 0.997 222 G CA 0.925 45.852 45.100 -0.289 0.000 0.652 222 G HN 1.945 nan 8.290 nan 0.000 0.500 223 A N -0.446 122.532 122.820 0.262 0.000 1.942 223 A HA 0.527 4.847 4.320 -0.000 0.000 0.209 223 A C 0.914 178.774 177.584 0.461 0.000 1.214 223 A CA 1.557 53.760 52.037 0.276 0.000 0.686 223 A CB 0.164 19.257 19.000 0.156 0.000 0.871 223 A HN 0.701 nan 8.150 nan 0.000 0.460 224 N N -0.314 118.694 118.700 0.513 0.000 2.478 224 N HA 0.236 4.976 4.740 -0.000 0.000 0.291 224 N C 0.411 176.010 175.510 0.148 0.000 1.090 224 N CA -0.103 53.124 53.050 0.295 0.000 0.911 224 N CB 2.147 40.721 38.487 0.145 0.000 1.546 224 N HN -0.121 nan 8.380 nan 0.000 0.500 225 V N 3.479 123.135 119.914 -0.431 0.000 2.392 225 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 225 V C 2.028 177.944 176.094 -0.296 0.000 1.059 225 V CA 1.750 63.571 62.300 -0.798 0.000 1.051 225 V CB -0.404 30.713 31.823 -1.177 0.000 0.658 225 V HN 0.644 nan 8.190 nan 0.000 0.455 226 Q N 0.030 119.724 119.800 -0.176 0.000 2.079 226 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 226 Q C 2.033 178.019 176.000 -0.024 0.000 0.974 226 Q CA 1.648 57.400 55.803 -0.085 0.000 0.840 226 Q CB -0.462 28.237 28.738 -0.064 0.000 0.898 226 Q HN 0.600 nan 8.270 nan 0.000 0.430 227 D N 0.369 120.778 120.400 0.015 0.000 2.117 227 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 227 D C 1.193 177.528 176.300 0.057 0.000 0.987 227 D CA 1.139 55.166 54.000 0.044 0.000 0.829 227 D CB -0.201 40.647 40.800 0.080 0.000 0.961 227 D HN 0.206 nan 8.370 nan 0.000 0.460 228 D N 0.267 120.739 120.400 0.120 0.000 2.117 228 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 228 D C 2.327 178.675 176.300 0.078 0.000 0.987 228 D CA 0.392 54.493 54.000 0.168 0.000 0.829 228 D CB -0.271 40.770 40.800 0.402 0.000 0.961 228 D HN 0.261 nan 8.370 nan 0.000 0.460 229 I N 0.590 121.197 120.570 0.062 0.000 2.127 229 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 229 I C 2.645 178.681 176.117 -0.135 0.000 1.075 229 I CA 1.050 62.395 61.300 0.074 0.000 1.334 229 I CB -0.181 37.880 38.000 0.103 0.000 1.040 229 I HN -0.058 nan 8.210 nan 0.000 0.405 230 R N 1.145 121.594 120.500 -0.085 0.000 2.081 230 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 230 R C 2.465 178.664 176.300 -0.169 0.000 1.131 230 R CA 1.521 57.551 56.100 -0.118 0.000 0.960 230 R CB -0.130 30.139 30.300 -0.052 0.000 0.856 230 R HN 0.229 nan 8.270 nan 0.000 0.436 231 R N -0.444 119.987 120.500 -0.116 0.000 2.075 231 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 231 R C 2.507 178.693 176.300 -0.191 0.000 1.126 231 R CA 1.708 57.744 56.100 -0.105 0.000 0.963 231 R CB -0.421 29.860 30.300 -0.032 0.000 0.858 231 R HN 0.310 nan 8.270 nan 0.000 0.435 232 C N -0.094 119.042 119.300 -0.273 0.000 2.440 232 C HA -0.031 4.429 4.460 -0.000 0.000 0.278 232 C C 2.645 177.227 174.990 -0.681 0.000 1.295 232 C CA 0.378 59.173 59.018 -0.372 0.000 1.738 232 C CB -0.805 26.786 27.740 -0.247 0.000 1.987 232 C HN 0.473 nan 8.230 nan 0.000 0.492 233 R N 0.567 120.414 120.500 -1.088 0.000 2.073 233 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 233 R C 2.094 178.189 176.300 -0.341 0.000 1.134 233 R CA 1.420 56.980 56.100 -0.899 0.000 0.952 233 R CB -0.327 29.578 30.300 -0.660 0.000 0.850 233 R HN 0.494 nan 8.270 nan 0.000 0.433 234 L N 0.058 121.130 121.223 -0.253 0.000 2.056 234 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 234 L C 2.711 179.520 176.870 -0.103 0.000 1.078 234 L CA 1.226 55.987 54.840 -0.132 0.000 0.749 234 L CB -0.502 41.500 42.059 -0.095 0.000 0.901 234 L HN 0.308 nan 8.230 nan 0.000 0.433 235 A N 0.144 122.893 122.820 -0.119 0.000 1.902 235 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 235 A C 2.310 179.855 177.584 -0.065 0.000 1.181 235 A CA 1.832 53.820 52.037 -0.081 0.000 0.623 235 A CB -0.490 18.457 19.000 -0.087 0.000 0.818 235 A HN 0.294 nan 8.150 nan 0.000 0.443 236 R N 0.479 120.931 120.500 -0.080 0.000 2.091 236 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 236 R C 2.047 178.341 176.300 -0.011 0.000 1.136 236 R CA 2.161 58.246 56.100 -0.025 0.000 0.959 236 R CB -1.051 29.261 30.300 0.019 0.000 0.856 236 R HN 0.393 nan 8.270 nan 0.000 0.437 237 A N -0.076 122.729 122.820 -0.026 0.000 1.969 237 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 237 A C 2.326 179.904 177.584 -0.010 0.000 1.169 237 A CA 1.531 53.561 52.037 -0.011 0.000 0.635 237 A CB -0.832 18.157 19.000 -0.019 0.000 0.810 237 A HN 0.480 nan 8.150 nan 0.000 0.445 238 A N -0.706 122.103 122.820 -0.019 0.000 1.929 238 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 238 A C 1.907 179.489 177.584 -0.003 0.000 1.176 238 A CA 1.522 53.552 52.037 -0.012 0.000 0.628 238 A CB -0.379 18.611 19.000 -0.017 0.000 0.816 238 A HN 0.381 nan 8.150 nan 0.000 0.444 239 I N -1.476 119.092 120.570 -0.004 0.000 2.716 239 I HA 0.236 4.406 4.170 -0.000 0.000 0.259 239 I C 1.357 177.482 176.117 0.014 0.000 1.172 239 I CA 1.115 62.419 61.300 0.006 0.000 1.478 239 I CB -0.400 37.601 38.000 0.001 0.000 1.104 239 I HN 0.543 nan 8.210 nan 0.000 0.439 240 G N 0.679 109.486 108.800 0.013 0.000 2.712 240 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.683 240 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.683 240 G C -2.067 172.847 174.900 0.023 0.000 1.320 240 G CA -0.183 44.927 45.100 0.018 0.000 0.847 240 G HN 0.054 nan 8.290 nan 0.000 0.553 241 P HA 0.114 nan 4.420 nan 0.000 0.231 241 P C 0.468 177.786 177.300 0.029 0.000 1.168 241 P CA 1.315 64.432 63.100 0.029 0.000 0.779 241 P CB 0.213 31.929 31.700 0.027 0.000 0.844 242 D N -0.400 120.018 120.400 0.029 0.000 2.339 242 D HA 0.098 4.738 4.640 -0.000 0.000 0.217 242 D C 0.653 176.977 176.300 0.039 0.000 1.050 242 D CA 0.388 54.407 54.000 0.033 0.000 0.856 242 D CB 0.330 41.148 40.800 0.031 0.000 0.922 242 D HN 0.190 nan 8.370 nan 0.000 0.518 243 I N 1.108 121.700 120.570 0.036 0.000 2.441 243 I HA 0.393 4.562 4.170 -0.000 0.000 0.295 243 I C 0.537 176.670 176.117 0.028 0.000 0.994 243 I CA -1.546 59.779 61.300 0.042 0.000 1.144 243 I CB 1.131 39.156 38.000 0.041 0.000 1.314 243 I HN -0.228 nan 8.210 nan 0.000 0.445 244 A N 7.413 130.254 122.820 0.035 0.000 2.407 244 A HA 0.586 4.906 4.320 -0.000 0.000 0.248 244 A C -0.118 177.418 177.584 -0.079 0.000 1.082 244 A CA -0.291 51.744 52.037 -0.004 0.000 0.785 244 A CB 0.581 19.604 19.000 0.038 0.000 1.020 244 A HN 0.826 nan 8.150 nan 0.000 0.489 245 M N 2.778 122.288 119.600 -0.149 0.000 2.124 245 M HA 0.585 5.065 4.480 -0.000 0.000 0.280 245 M C -0.530 175.538 176.300 -0.386 0.000 0.954 245 M CA -0.305 54.862 55.300 -0.221 0.000 0.958 245 M CB 1.394 33.921 32.600 -0.122 0.000 1.611 245 M HN 0.854 nan 8.290 nan 0.000 0.449 246 A N 3.989 126.413 122.820 -0.659 0.000 2.269 246 A HA 0.884 5.204 4.320 -0.000 0.000 0.319 246 A C -1.169 176.048 177.584 -0.612 0.000 1.110 246 A CA -0.622 50.806 52.037 -1.014 0.000 0.847 246 A CB 1.535 19.217 19.000 -2.197 0.000 1.161 246 A HN 0.655 nan 8.150 nan 0.000 0.497 247 V N 0.875 120.474 119.914 -0.524 0.000 2.823 247 V HA 0.509 4.629 4.120 -0.000 0.000 0.312 247 V C -1.381 174.593 176.094 -0.201 0.000 1.072 247 V CA -0.479 61.667 62.300 -0.256 0.000 0.937 247 V CB 2.153 33.921 31.823 -0.091 0.000 1.013 247 V HN 0.976 nan 8.190 nan 0.000 0.430 248 D N 2.675 122.983 120.400 -0.152 0.000 2.620 248 D HA 0.582 5.222 4.640 -0.000 0.000 0.252 248 D C 0.236 176.400 176.300 -0.227 0.000 1.207 248 D CA -0.131 53.789 54.000 -0.133 0.000 0.884 248 D CB 2.282 43.033 40.800 -0.082 0.000 1.262 248 D HN 0.567 nan 8.370 nan 0.000 0.552 249 A N 3.627 126.217 122.820 -0.383 0.000 2.308 249 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 249 A C 0.816 178.051 177.584 -0.581 0.000 1.216 249 A CA -0.116 51.485 52.037 -0.726 0.000 0.864 249 A CB -0.260 17.755 19.000 -1.642 0.000 0.902 249 A HN 0.723 nan 8.150 nan 0.000 0.499 250 N N 0.293 118.779 118.700 -0.355 0.000 2.714 250 N HA -0.253 4.487 4.740 -0.000 0.000 0.252 250 N C -0.235 175.085 175.510 -0.317 0.000 1.014 250 N CA 1.275 54.154 53.050 -0.283 0.000 0.735 250 N CB -1.327 37.038 38.487 -0.204 0.000 0.924 250 N HN 0.786 nan 8.380 nan 0.000 0.540 251 Q N -3.256 116.345 119.800 -0.331 0.000 2.416 251 Q HA -0.285 4.055 4.340 -0.000 0.000 0.235 251 Q C 0.976 176.794 176.000 -0.304 0.000 0.773 251 Q CA 1.325 56.969 55.803 -0.265 0.000 1.286 251 Q CB -0.639 27.990 28.738 -0.182 0.000 1.556 251 Q HN 0.426 nan 8.270 nan 0.000 0.650 252 R N -0.139 120.061 120.500 -0.499 0.000 2.092 252 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 252 R C 0.748 176.893 176.300 -0.258 0.000 1.119 252 R CA 1.070 56.905 56.100 -0.442 0.000 0.970 252 R CB -0.090 29.842 30.300 -0.614 0.000 0.864 252 R HN 0.293 nan 8.270 nan 0.000 0.440 253 W N 1.693 122.872 121.300 -0.202 0.000 2.283 253 W HA 0.239 4.899 4.660 -0.000 0.000 0.341 253 W C 0.227 176.673 176.519 -0.122 0.000 1.206 253 W CA -1.255 55.987 57.345 -0.170 0.000 1.294 253 W CB -0.005 29.320 29.460 -0.226 0.000 1.154 253 W HN -0.107 nan 8.180 nan 0.000 0.613 254 D N -0.531 119.975 120.400 0.177 0.000 2.432 254 D HA 0.195 4.835 4.640 -0.000 0.000 0.258 254 D C 1.306 177.638 176.300 0.053 0.000 1.146 254 D CA -0.552 53.491 54.000 0.071 0.000 1.015 254 D CB 1.410 42.242 40.800 0.053 0.000 1.107 254 D HN -0.084 nan 8.370 nan 0.000 0.529 255 V N 0.759 120.677 119.914 0.008 0.000 2.255 255 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 255 V C 2.239 178.326 176.094 -0.011 0.000 1.051 255 V CA 2.486 64.779 62.300 -0.011 0.000 1.018 255 V CB -0.870 30.940 31.823 -0.021 0.000 0.641 255 V HN 0.739 nan 8.190 nan 0.000 0.445 256 G N 0.393 109.189 108.800 -0.007 0.000 2.433 256 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 256 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 256 G C -0.205 174.676 174.900 -0.032 0.000 1.186 256 G CA 1.133 46.224 45.100 -0.016 0.000 0.779 256 G HN 0.514 nan 8.290 nan 0.000 0.543 257 P HA 0.009 nan 4.420 nan 0.000 0.218 257 P C 2.117 179.288 177.300 -0.214 0.000 1.149 257 P CA 1.711 64.780 63.100 -0.051 0.000 0.817 257 P CB -0.073 31.643 31.700 0.028 0.000 0.785 258 A N -0.642 122.058 122.820 -0.201 0.000 1.902 258 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 258 A C 2.166 179.597 177.584 -0.254 0.000 1.181 258 A CA 1.396 53.230 52.037 -0.337 0.000 0.623 258 A CB -1.549 17.491 19.000 0.066 0.000 0.818 258 A HN 0.104 nan 8.150 nan 0.000 0.443 259 I N -0.099 120.403 120.570 -0.114 0.000 2.179 259 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 259 I C 1.860 177.930 176.117 -0.078 0.000 1.088 259 I CA 1.555 62.813 61.300 -0.070 0.000 1.357 259 I CB -0.488 37.487 38.000 -0.041 0.000 1.051 259 I HN 0.231 nan 8.210 nan 0.000 0.409 260 D N -0.013 120.337 120.400 -0.083 0.000 2.144 260 D HA -0.218 4.422 4.640 -0.000 0.000 0.199 260 D C 1.749 177.999 176.300 -0.084 0.000 0.984 260 D CA 0.946 54.899 54.000 -0.078 0.000 0.834 260 D CB -0.261 40.494 40.800 -0.074 0.000 0.955 260 D HN 0.449 nan 8.370 nan 0.000 0.465 261 W N 0.815 121.885 121.300 -0.384 0.000 2.408 261 W HA -0.075 4.585 4.660 -0.000 0.000 0.311 261 W C 1.795 178.121 176.519 -0.322 0.000 1.190 261 W CA 0.663 57.734 57.345 -0.456 0.000 1.321 261 W CB -0.315 28.560 29.460 -0.974 0.000 1.143 261 W HN -0.067 nan 8.180 nan 0.000 0.501 262 M N 0.371 119.971 119.600 0.000 0.000 2.279 262 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 262 M C 1.949 178.265 176.300 0.027 0.000 1.062 262 M CA 1.358 56.690 55.300 0.054 0.000 1.099 262 M CB -1.398 31.221 32.600 0.032 0.000 1.394 262 M HN -0.029 nan 8.290 nan 0.000 0.426 263 R N 0.109 120.599 120.500 -0.018 0.000 2.152 263 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 263 R C 2.006 178.269 176.300 -0.062 0.000 1.117 263 R CA 1.114 57.190 56.100 -0.040 0.000 0.981 263 R CB -0.013 30.257 30.300 -0.049 0.000 0.870 263 R HN 0.508 nan 8.270 nan 0.000 0.451 264 Q N -0.657 119.109 119.800 -0.057 0.000 2.432 264 Q HA 0.038 4.378 4.340 -0.000 0.000 0.205 264 Q C 1.224 177.198 176.000 -0.043 0.000 0.945 264 Q CA 0.570 56.327 55.803 -0.077 0.000 0.924 264 Q CB 0.455 29.130 28.738 -0.106 0.000 1.016 264 Q HN 0.358 nan 8.270 nan 0.000 0.503 265 L N -0.865 120.377 121.223 0.032 0.000 2.590 265 L HA 0.236 4.576 4.340 -0.000 0.000 0.227 265 L C 2.125 178.984 176.870 -0.017 0.000 1.099 265 L CA 0.073 54.999 54.840 0.144 0.000 0.872 265 L CB -0.151 42.074 42.059 0.276 0.000 1.088 265 L HN 0.110 nan 8.230 nan 0.000 0.479 266 A N 1.642 124.410 122.820 -0.088 0.000 1.948 266 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 266 A C 2.128 179.598 177.584 -0.189 0.000 1.177 266 A CA 2.043 54.022 52.037 -0.097 0.000 0.636 266 A CB -0.444 18.510 19.000 -0.077 0.000 0.815 266 A HN 0.654 nan 8.150 nan 0.000 0.449 267 E N -1.060 118.900 120.200 -0.400 0.000 2.333 267 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 267 E C 0.997 177.355 176.600 -0.403 0.000 1.007 267 E CA 0.895 57.029 56.400 -0.443 0.000 0.845 267 E CB -0.511 28.854 29.700 -0.558 0.000 0.766 267 E HN 0.717 nan 8.360 nan 0.000 0.507 268 F N 1.363 121.308 119.950 -0.007 0.000 2.773 268 F HA 0.139 4.665 4.527 -0.000 0.000 0.304 268 F C -0.000 175.789 175.800 -0.018 0.000 1.129 268 F CA -0.179 57.814 58.000 -0.012 0.000 1.378 268 F CB 0.132 39.126 39.000 -0.011 0.000 1.095 268 F HN -0.127 nan 8.300 nan 0.000 0.565 269 D N 2.046 122.489 120.400 0.072 0.000 3.729 269 D HA -0.173 4.467 4.640 -0.000 0.000 0.242 269 D C -0.717 175.602 176.300 0.031 0.000 1.091 269 D CA 0.188 54.213 54.000 0.041 0.000 1.096 269 D CB -0.598 40.226 40.800 0.041 0.000 0.901 269 D HN -0.016 nan 8.370 nan 0.000 0.416 270 I N 1.970 122.551 120.570 0.018 0.000 2.325 270 I HA 0.351 4.521 4.170 -0.000 0.000 0.291 270 I C 1.959 178.053 176.117 -0.039 0.000 1.019 270 I CA -0.154 61.131 61.300 -0.024 0.000 1.302 270 I CB 0.532 38.533 38.000 0.002 0.000 1.401 270 I HN 0.394 nan 8.210 nan 0.000 0.485 271 A N 7.099 129.842 122.820 -0.129 0.000 1.930 271 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 271 A C 0.369 178.031 177.584 0.129 0.000 1.175 271 A CA 1.093 53.099 52.037 -0.050 0.000 0.627 271 A CB -0.097 18.779 19.000 -0.207 0.000 0.815 271 A HN 0.876 nan 8.150 nan 0.000 0.443 272 W N -3.944 117.283 121.300 -0.121 0.000 3.370 272 W HA 0.499 5.159 4.660 -0.000 0.000 0.304 272 W C -1.917 174.560 176.519 -0.071 0.000 1.161 272 W CA -1.610 55.669 57.345 -0.110 0.000 1.132 272 W CB -0.194 29.150 29.460 -0.194 0.000 1.377 272 W HN 0.135 nan 8.180 nan 0.000 0.568 273 I N 2.721 123.413 120.570 0.203 0.000 2.339 273 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 273 I C -0.290 175.996 176.117 0.281 0.000 0.994 273 I CA -0.952 60.433 61.300 0.142 0.000 1.191 273 I CB 1.236 39.341 38.000 0.175 0.000 1.343 273 I HN 0.575 nan 8.210 nan 0.000 0.458 274 E N 6.280 126.620 120.200 0.234 0.000 2.249 274 E HA 0.229 4.579 4.350 -0.000 0.000 0.280 274 E C -0.539 176.105 176.600 0.074 0.000 1.016 274 E CA -0.274 56.273 56.400 0.244 0.000 0.830 274 E CB 0.555 30.435 29.700 0.299 0.000 1.081 274 E HN 0.637 nan 8.360 nan 0.000 0.395 275 E N 3.152 123.405 120.200 0.089 0.000 2.197 275 E HA -0.173 4.177 4.350 -0.000 0.000 0.184 275 E C -1.874 174.703 176.600 -0.038 0.000 1.439 275 E CA 0.107 56.546 56.400 0.066 0.000 0.688 275 E CB -0.442 29.218 29.700 -0.066 0.000 1.090 275 E HN 0.550 nan 8.360 nan 0.000 0.341 276 P HA -0.116 nan 4.420 nan 0.000 0.223 276 P C 0.707 177.940 177.300 -0.111 0.000 1.151 276 P CA 1.155 64.241 63.100 -0.023 0.000 0.787 276 P CB 0.562 32.371 31.700 0.182 0.000 0.788 277 T N -2.101 112.341 114.554 -0.187 0.000 2.618 277 T HA 0.297 4.647 4.350 -0.000 0.000 0.293 277 T C -1.018 173.632 174.700 -0.084 0.000 1.093 277 T CA -0.433 61.560 62.100 -0.179 0.000 1.061 277 T CB 0.882 69.610 68.868 -0.233 0.000 1.498 277 T HN -0.174 nan 8.240 nan 0.000 0.494 278 S N 1.991 117.657 115.700 -0.057 0.000 2.573 278 S HA 0.124 4.594 4.470 -0.000 0.000 0.297 278 S C -1.337 173.323 174.600 0.100 0.000 1.280 278 S CA -0.503 57.697 58.200 0.000 0.000 1.061 278 S CB 0.578 63.772 63.200 -0.010 0.000 0.812 278 S HN 0.532 nan 8.310 nan 0.000 0.500 279 P HA 0.024 nan 4.420 nan 0.000 0.237 279 P C 0.097 177.384 177.300 -0.022 0.000 1.178 279 P CA 0.630 63.746 63.100 0.028 0.000 0.766 279 P CB 0.132 31.841 31.700 0.015 0.000 0.876 280 D N -0.741 119.659 120.400 0.000 0.000 2.355 280 D HA -0.020 4.620 4.640 -0.000 0.000 0.206 280 D C 0.451 176.749 176.300 -0.003 0.000 1.010 280 D CA 0.569 54.551 54.000 -0.030 0.000 0.875 280 D CB -0.300 40.479 40.800 -0.035 0.000 0.966 280 D HN 0.078 nan 8.370 nan 0.000 0.512 281 D N 1.325 121.757 120.400 0.053 0.000 2.508 281 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 281 D C 1.394 177.786 176.300 0.154 0.000 1.171 281 D CA -0.092 53.947 54.000 0.065 0.000 1.006 281 D CB 0.652 41.464 40.800 0.020 0.000 1.073 281 D HN -0.202 nan 8.370 nan 0.000 0.513 282 V N 3.492 123.444 119.914 0.063 0.000 2.295 282 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 282 V C 2.521 178.654 176.094 0.065 0.000 1.049 282 V CA 1.231 63.557 62.300 0.043 0.000 1.024 282 V CB -0.320 31.486 31.823 -0.029 0.000 0.648 282 V HN 0.568 nan 8.190 nan 0.000 0.447 283 L N 0.295 121.538 121.223 0.034 0.000 2.141 283 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 283 L C 2.599 179.485 176.870 0.027 0.000 1.094 283 L CA 1.554 56.409 54.840 0.025 0.000 0.763 283 L CB -1.113 40.951 42.059 0.009 0.000 0.908 283 L HN 0.481 nan 8.230 nan 0.000 0.437 284 G N -1.340 107.471 108.800 0.018 0.000 2.402 284 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 284 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 284 G C 1.408 176.275 174.900 -0.056 0.000 1.162 284 G CA 0.294 45.374 45.100 -0.033 0.000 0.777 284 G HN 0.369 nan 8.290 nan 0.000 0.539 285 H N 0.672 119.738 119.070 -0.005 0.000 2.387 285 H HA -0.000 4.556 4.556 -0.000 0.000 0.299 285 H C 2.949 178.281 175.328 0.007 0.000 1.090 285 H CA 1.188 57.237 56.048 0.001 0.000 1.332 285 H CB -0.098 29.653 29.762 -0.018 0.000 1.386 285 H HN 0.399 nan 8.280 nan 0.000 0.516 286 A N 1.160 124.047 122.820 0.112 0.000 1.902 286 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 286 A C 2.682 180.292 177.584 0.043 0.000 1.181 286 A CA 1.603 53.679 52.037 0.065 0.000 0.623 286 A CB -0.733 18.294 19.000 0.045 0.000 0.818 286 A HN 0.425 nan 8.150 nan 0.000 0.443 287 A N -0.296 122.540 122.820 0.027 0.000 1.969 287 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 287 A C 2.093 179.684 177.584 0.011 0.000 1.169 287 A CA 1.405 53.450 52.037 0.013 0.000 0.635 287 A CB -0.546 18.456 19.000 0.003 0.000 0.810 287 A HN 0.500 nan 8.150 nan 0.000 0.445 288 I N -1.164 119.411 120.570 0.008 0.000 2.252 288 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 288 I C 2.687 178.824 176.117 0.034 0.000 1.102 288 I CA 1.405 62.711 61.300 0.010 0.000 1.385 288 I CB -0.303 37.694 38.000 -0.005 0.000 1.064 288 I HN 0.346 nan 8.210 nan 0.000 0.414 289 R N 0.939 121.471 120.500 0.053 0.000 2.081 289 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 289 R C 2.235 178.560 176.300 0.042 0.000 1.131 289 R CA 1.738 57.873 56.100 0.059 0.000 0.960 289 R CB -0.093 30.248 30.300 0.068 0.000 0.856 289 R HN 0.422 nan 8.270 nan 0.000 0.436 290 Q N -1.279 118.541 119.800 0.033 0.000 2.172 290 Q HA -0.030 4.310 4.340 -0.000 0.000 0.200 290 Q C 1.943 177.953 176.000 0.016 0.000 0.964 290 Q CA 1.359 57.177 55.803 0.025 0.000 0.855 290 Q CB 0.033 28.784 28.738 0.022 0.000 0.918 290 Q HN 0.514 nan 8.270 nan 0.000 0.444 291 G N 1.044 109.851 108.800 0.013 0.000 2.464 291 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 291 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 291 G C 1.319 176.220 174.900 0.001 0.000 1.138 291 G CA 0.498 45.600 45.100 0.003 0.000 0.793 291 G HN 0.484 nan 8.290 nan 0.000 0.539 292 I N -1.714 118.862 120.570 0.011 0.000 3.974 292 I HA 0.327 4.497 4.170 -0.000 0.000 0.334 292 I C 0.722 176.850 176.117 0.017 0.000 1.437 292 I CA -0.446 60.861 61.300 0.011 0.000 1.113 292 I CB 0.155 38.168 38.000 0.021 0.000 1.063 292 I HN -0.143 nan 8.210 nan 0.000 0.400 293 T N 4.060 118.626 114.554 0.019 0.000 2.946 293 T HA 0.095 4.445 4.350 -0.000 0.000 0.312 293 T C -0.798 173.910 174.700 0.013 0.000 1.066 293 T CA -0.461 61.652 62.100 0.022 0.000 1.138 293 T CB 0.488 69.369 68.868 0.022 0.000 1.014 293 T HN 0.374 nan 8.240 nan 0.000 0.544 294 P HA 0.180 nan 4.420 nan 0.000 0.256 294 P C -0.273 177.048 177.300 0.036 0.000 1.384 294 P CA -0.172 62.944 63.100 0.025 0.000 0.879 294 P CB 0.021 31.734 31.700 0.021 0.000 1.403 295 V N 3.233 123.169 119.914 0.037 0.000 2.446 295 V HA 0.120 4.240 4.120 -0.000 0.000 0.276 295 V C -1.994 174.146 176.094 0.077 0.000 1.030 295 V CA -1.291 61.041 62.300 0.053 0.000 1.033 295 V CB 0.191 32.044 31.823 0.051 0.000 0.993 295 V HN 0.103 nan 8.190 nan 0.000 0.477 296 P HA 0.188 nan 4.420 nan 0.000 0.269 296 P C -0.662 176.729 177.300 0.150 0.000 1.209 296 P CA 0.041 63.209 63.100 0.113 0.000 0.776 296 P CB 0.661 32.436 31.700 0.125 0.000 0.876 297 V N 2.200 122.186 119.914 0.120 0.000 2.628 297 V HA 0.658 4.778 4.120 -0.000 0.000 0.306 297 V C 0.173 176.313 176.094 0.077 0.000 1.045 297 V CA -0.255 62.130 62.300 0.142 0.000 0.905 297 V CB 1.831 33.742 31.823 0.147 0.000 0.997 297 V HN 0.767 nan 8.190 nan 0.000 0.436 298 S N 2.369 118.121 115.700 0.086 0.000 2.618 298 S HA 0.910 5.380 4.470 -0.000 0.000 0.277 298 S C -0.754 173.832 174.600 -0.024 0.000 1.138 298 S CA -0.457 57.714 58.200 -0.048 0.000 0.844 298 S CB 2.479 65.513 63.200 -0.277 0.000 1.127 298 S HN 0.951 nan 8.310 nan 0.000 0.474 299 T N -1.289 113.205 114.554 -0.100 0.000 2.749 299 T HA 0.683 5.033 4.350 -0.000 0.000 0.310 299 T C 0.342 174.989 174.700 -0.087 0.000 1.496 299 T CA 0.443 62.454 62.100 -0.148 0.000 1.006 299 T CB 0.768 69.365 68.868 -0.451 0.000 1.457 299 T HN 2.106 nan 8.240 nan 0.000 0.497 300 G N 1.240 109.988 108.800 -0.087 0.000 3.505 300 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.210 300 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.210 300 G C 0.806 175.781 174.900 0.125 0.000 1.047 300 G CA 0.953 46.086 45.100 0.055 0.000 0.884 300 G HN 0.920 nan 8.290 nan 0.000 0.434 301 E N 0.119 120.346 120.200 0.044 0.000 2.333 301 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 301 E C 1.430 178.132 176.600 0.170 0.000 1.007 301 E CA 1.440 57.839 56.400 -0.002 0.000 0.845 301 E CB -0.194 29.212 29.700 -0.490 0.000 0.766 301 E HN 0.527 nan 8.360 nan 0.000 0.507 302 H N -0.268 118.743 119.070 -0.098 0.000 2.923 302 H HA 0.244 4.800 4.556 -0.000 0.000 0.268 302 H C -0.560 174.704 175.328 -0.107 0.000 1.148 302 H CA -0.147 55.852 56.048 -0.081 0.000 1.146 302 H CB 0.936 30.645 29.762 -0.089 0.000 1.607 302 H HN -0.034 nan 8.280 nan 0.000 0.566 303 T N 2.476 116.979 114.554 -0.086 0.000 2.817 303 T HA -0.051 4.299 4.350 -0.000 0.000 0.295 303 T C 1.571 176.202 174.700 -0.116 0.000 0.958 303 T CA -0.123 61.799 62.100 -0.297 0.000 1.157 303 T CB 0.929 69.220 68.868 -0.962 0.000 0.898 303 T HN 0.542 nan 8.240 nan 0.000 0.536 304 Q N 3.401 123.140 119.800 -0.101 0.000 2.096 304 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 304 Q C 0.493 176.534 176.000 0.068 0.000 0.982 304 Q CA 1.353 57.143 55.803 -0.022 0.000 0.850 304 Q CB -0.237 28.459 28.738 -0.069 0.000 0.901 304 Q HN 0.805 nan 8.270 nan 0.000 0.422 305 N N -1.385 117.354 118.700 0.065 0.000 3.179 305 N HA 0.077 4.817 4.740 -0.000 0.000 0.250 305 N C -0.000 175.663 175.510 0.256 0.000 1.507 305 N CA -0.556 52.594 53.050 0.167 0.000 0.883 305 N CB 0.331 38.851 38.487 0.056 0.000 1.435 305 N HN 0.056 nan 8.380 nan 0.000 0.532 306 R N -0.532 120.109 120.500 0.235 0.000 2.241 306 R HA 0.021 4.361 4.340 -0.000 0.000 0.224 306 R C 0.222 176.624 176.300 0.170 0.000 1.101 306 R CA 1.366 57.598 56.100 0.220 0.000 0.995 306 R CB -0.735 29.625 30.300 0.099 0.000 0.870 306 R HN 0.327 nan 8.270 nan 0.000 0.463 307 V N 0.988 120.969 119.914 0.112 0.000 2.591 307 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 307 V C 2.392 178.490 176.094 0.007 0.000 1.053 307 V CA 1.072 63.408 62.300 0.060 0.000 1.068 307 V CB 0.181 32.008 31.823 0.007 0.000 0.689 307 V HN 0.148 nan 8.190 nan 0.000 0.462 308 V N -0.878 119.019 119.914 -0.029 0.000 2.379 308 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 308 V C 2.155 178.172 176.094 -0.128 0.000 1.044 308 V CA 1.800 64.030 62.300 -0.118 0.000 1.036 308 V CB -0.700 31.002 31.823 -0.201 0.000 0.664 308 V HN 0.427 nan 8.190 nan 0.000 0.453 309 F N 0.750 120.655 119.950 -0.074 0.000 2.126 309 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 309 F C 2.531 178.248 175.800 -0.139 0.000 1.096 309 F CA 2.203 60.144 58.000 -0.098 0.000 1.255 309 F CB -0.217 38.740 39.000 -0.071 0.000 0.997 309 F HN 0.028 nan 8.300 nan 0.000 0.479 310 K N 0.357 120.807 120.400 0.084 0.000 2.063 310 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 310 K C 1.980 178.514 176.600 -0.111 0.000 1.048 310 K CA 1.851 58.120 56.287 -0.030 0.000 0.928 310 K CB -0.221 32.305 32.500 0.043 0.000 0.713 310 K HN 0.347 nan 8.250 nan 0.000 0.442 311 Q N 0.002 119.761 119.800 -0.068 0.000 2.119 311 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 311 Q C 2.087 178.026 176.000 -0.102 0.000 0.972 311 Q CA 0.754 56.512 55.803 -0.074 0.000 0.847 311 Q CB 0.060 28.762 28.738 -0.059 0.000 0.903 311 Q HN 0.224 nan 8.270 nan 0.000 0.433 312 L N 0.169 121.319 121.223 -0.122 0.000 1.989 312 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 312 L C 2.153 178.939 176.870 -0.141 0.000 1.071 312 L CA 1.586 56.350 54.840 -0.125 0.000 0.749 312 L CB -1.167 40.803 42.059 -0.148 0.000 0.890 312 L HN 0.289 nan 8.230 nan 0.000 0.431 313 L N -0.739 120.336 121.223 -0.246 0.000 2.046 313 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 313 L C 2.658 179.290 176.870 -0.396 0.000 1.077 313 L CA 1.460 56.032 54.840 -0.447 0.000 0.747 313 L CB -1.091 40.380 42.059 -0.979 0.000 0.896 313 L HN 0.376 nan 8.230 nan 0.000 0.432 314 Q N -1.222 118.392 119.800 -0.311 0.000 2.119 314 Q HA -0.079 4.261 4.340 -0.000 0.000 0.201 314 Q C 2.048 178.065 176.000 0.028 0.000 0.972 314 Q CA 1.437 57.224 55.803 -0.026 0.000 0.847 314 Q CB -0.194 28.559 28.738 0.024 0.000 0.903 314 Q HN 0.535 nan 8.270 nan 0.000 0.433 315 A N 0.036 122.847 122.820 -0.014 0.000 2.238 315 A HA 0.271 4.591 4.320 -0.000 0.000 0.208 315 A C 1.316 178.912 177.584 0.021 0.000 1.177 315 A CA 0.627 52.670 52.037 0.010 0.000 0.804 315 A CB -0.319 18.680 19.000 -0.001 0.000 0.823 315 A HN 0.415 nan 8.150 nan 0.000 0.482 316 G N -1.349 107.460 108.800 0.015 0.000 2.295 316 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.287 316 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.287 316 G C 0.771 175.687 174.900 0.027 0.000 1.055 316 G CA 0.474 45.593 45.100 0.033 0.000 0.922 316 G HN 1.395 nan 8.290 nan 0.000 0.503 317 A N -1.470 121.355 122.820 0.009 0.000 2.238 317 A HA 0.622 4.942 4.320 -0.000 0.000 0.210 317 A C 1.243 178.845 177.584 0.031 0.000 1.179 317 A CA 1.595 53.651 52.037 0.032 0.000 0.827 317 A CB 0.261 19.276 19.000 0.025 0.000 0.856 317 A HN 1.931 nan 8.150 nan 0.000 0.488 318 V N -4.213 115.704 119.914 0.005 0.000 3.007 318 V HA 0.607 4.727 4.120 -0.000 0.000 0.311 318 V C -0.463 175.640 176.094 0.014 0.000 1.120 318 V CA -0.565 61.735 62.300 0.001 0.000 0.980 318 V CB 1.756 33.556 31.823 -0.037 0.000 1.033 318 V HN 0.114 nan 8.190 nan 0.000 0.429 319 D N 1.524 121.930 120.400 0.010 0.000 2.388 319 D HA 0.432 5.072 4.640 -0.000 0.000 0.208 319 D C 0.026 176.322 176.300 -0.006 0.000 1.035 319 D CA 1.075 55.085 54.000 0.017 0.000 0.875 319 D CB 0.557 41.375 40.800 0.030 0.000 0.984 319 D HN 0.701 nan 8.370 nan 0.000 0.508 320 L N -1.639 119.548 121.223 -0.060 0.000 2.775 320 L HA 0.550 4.890 4.340 -0.000 0.000 0.263 320 L C -1.626 175.185 176.870 -0.098 0.000 1.017 320 L CA -1.432 53.361 54.840 -0.078 0.000 0.891 320 L CB 1.261 43.190 42.059 -0.217 0.000 1.482 320 L HN -0.114 nan 8.230 nan 0.000 0.410 321 I N -1.782 118.775 120.570 -0.022 0.000 2.934 321 I HA 0.817 4.987 4.170 -0.000 0.000 0.306 321 I C -0.847 175.313 176.117 0.070 0.000 1.110 321 I CA -0.834 60.487 61.300 0.035 0.000 1.019 321 I CB 2.170 40.268 38.000 0.163 0.000 1.227 321 I HN 0.730 nan 8.210 nan 0.000 0.434 322 Q N 2.252 122.127 119.800 0.124 0.000 2.193 322 Q HA 0.735 5.075 4.340 -0.000 0.000 0.246 322 Q C -1.310 174.813 176.000 0.206 0.000 0.959 322 Q CA -0.384 55.522 55.803 0.172 0.000 0.904 322 Q CB 2.128 30.978 28.738 0.187 0.000 1.238 322 Q HN 0.625 nan 8.270 nan 0.000 0.469 323 I N 0.423 121.091 120.570 0.164 0.000 2.769 323 I HA 0.319 4.489 4.170 -0.000 0.000 0.298 323 I C -1.535 174.675 176.117 0.156 0.000 1.128 323 I CA -0.409 60.948 61.300 0.094 0.000 1.031 323 I CB 2.280 40.260 38.000 -0.034 0.000 1.235 323 I HN 0.477 nan 8.210 nan 0.000 0.423 324 D N 4.090 124.583 120.400 0.155 0.000 2.649 324 D HA 0.494 5.134 4.640 -0.000 0.000 0.249 324 D C 0.245 176.605 176.300 0.099 0.000 1.112 324 D CA -0.355 53.750 54.000 0.175 0.000 0.850 324 D CB 2.569 43.502 40.800 0.221 0.000 1.399 324 D HN 0.595 nan 8.370 nan 0.000 0.503 325 A N 2.769 125.629 122.820 0.067 0.000 2.014 325 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 325 A C 1.495 179.090 177.584 0.019 0.000 1.163 325 A CA 1.648 53.706 52.037 0.034 0.000 0.652 325 A CB 0.033 19.026 19.000 -0.012 0.000 0.808 325 A HN 0.535 nan 8.150 nan 0.000 0.449 326 A N -1.518 121.327 122.820 0.041 0.000 2.508 326 A HA 0.389 4.709 4.320 -0.000 0.000 0.257 326 A C 1.696 179.303 177.584 0.039 0.000 1.226 326 A CA 0.548 52.606 52.037 0.036 0.000 0.947 326 A CB -0.071 18.966 19.000 0.061 0.000 1.079 326 A HN 0.313 nan 8.150 nan 0.000 0.531 327 R N -0.822 119.711 120.500 0.056 0.000 2.210 327 R HA 0.253 4.593 4.340 -0.000 0.000 0.203 327 R C 0.579 176.910 176.300 0.053 0.000 1.010 327 R CA 1.208 57.330 56.100 0.036 0.000 1.008 327 R CB -0.372 29.957 30.300 0.048 0.000 0.923 327 R HN 0.236 nan 8.270 nan 0.000 0.469 328 V N -1.482 118.465 119.914 0.056 0.000 3.352 328 V HA 0.511 4.631 4.120 -0.000 0.000 0.299 328 V C 0.472 176.486 176.094 -0.134 0.000 1.228 328 V CA -0.492 61.850 62.300 0.069 0.000 1.017 328 V CB 1.419 33.325 31.823 0.139 0.000 1.237 328 V HN 0.253 nan 8.190 nan 0.000 0.472 329 G N 0.391 109.105 108.800 -0.142 0.000 3.356 329 G HA2 0.464 4.424 3.960 -0.000 0.000 0.239 329 G HA3 0.464 4.424 3.960 -0.000 0.000 0.239 329 G C 0.642 175.493 174.900 -0.080 0.000 1.252 329 G CA 0.782 45.721 45.100 -0.269 0.000 1.611 329 G HN 1.702 nan 8.290 nan 0.000 0.580 330 G N -0.874 107.890 108.800 -0.058 0.000 2.752 330 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.234 330 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.234 330 G C 1.036 175.894 174.900 -0.071 0.000 1.367 330 G CA -0.347 44.754 45.100 0.000 0.000 0.879 330 G HN 0.684 nan 8.290 nan 0.000 0.563 331 V N 0.525 120.306 119.914 -0.222 0.000 2.370 331 V HA -0.315 3.805 4.120 -0.000 0.000 0.252 331 V C 2.784 178.628 176.094 -0.418 0.000 1.068 331 V CA 3.208 65.177 62.300 -0.552 0.000 1.061 331 V CB -0.966 29.942 31.823 -1.525 0.000 0.656 331 V HN 0.727 nan 8.190 nan 0.000 0.455 332 N N 0.211 118.817 118.700 -0.157 0.000 2.061 332 N HA -0.229 4.511 4.740 -0.000 0.000 0.193 332 N C 1.890 177.382 175.510 -0.031 0.000 1.030 332 N CA 1.805 54.881 53.050 0.043 0.000 0.856 332 N CB -0.305 38.310 38.487 0.213 0.000 1.023 332 N HN 0.655 nan 8.380 nan 0.000 0.424 333 E N 0.043 120.229 120.200 -0.024 0.000 2.152 333 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 333 E C 1.245 177.799 176.600 -0.076 0.000 0.983 333 E CA 0.598 56.986 56.400 -0.020 0.000 0.818 333 E CB 0.108 29.839 29.700 0.052 0.000 0.758 333 E HN 0.298 nan 8.360 nan 0.000 0.467 334 N N 0.437 119.073 118.700 -0.106 0.000 2.188 334 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 334 N C 1.888 177.304 175.510 -0.156 0.000 1.018 334 N CA 0.795 53.759 53.050 -0.144 0.000 0.858 334 N CB -0.110 38.302 38.487 -0.126 0.000 0.989 334 N HN 0.251 nan 8.380 nan 0.000 0.426 335 L N 0.663 121.795 121.223 -0.151 0.000 2.083 335 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 335 L C 2.400 179.206 176.870 -0.107 0.000 1.083 335 L CA 1.053 55.821 54.840 -0.119 0.000 0.752 335 L CB -0.495 41.504 42.059 -0.099 0.000 0.899 335 L HN 0.115 nan 8.230 nan 0.000 0.433 336 A N 0.334 123.077 122.820 -0.128 0.000 1.898 336 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 336 A C 2.189 179.701 177.584 -0.119 0.000 1.181 336 A CA 1.243 53.195 52.037 -0.141 0.000 0.620 336 A CB -0.494 18.407 19.000 -0.166 0.000 0.819 336 A HN 0.330 nan 8.150 nan 0.000 0.442 337 I N -0.280 120.184 120.570 -0.176 0.000 2.252 337 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 337 I C 2.325 178.310 176.117 -0.220 0.000 1.102 337 I CA 1.009 62.134 61.300 -0.292 0.000 1.385 337 I CB -0.342 37.298 38.000 -0.600 0.000 1.064 337 I HN 0.268 nan 8.210 nan 0.000 0.414 338 L N 0.118 121.239 121.223 -0.170 0.000 2.046 338 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 338 L C 2.516 179.364 176.870 -0.036 0.000 1.077 338 L CA 1.362 56.143 54.840 -0.099 0.000 0.747 338 L CB -0.507 41.505 42.059 -0.077 0.000 0.896 338 L HN 0.272 nan 8.230 nan 0.000 0.432 339 L N -1.169 120.040 121.223 -0.024 0.000 2.093 339 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 339 L C 2.465 179.378 176.870 0.071 0.000 1.085 339 L CA 0.485 55.342 54.840 0.028 0.000 0.755 339 L CB -0.334 41.746 42.059 0.036 0.000 0.904 339 L HN 0.223 nan 8.230 nan 0.000 0.435 340 L N -0.091 121.168 121.223 0.060 0.000 2.046 340 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 340 L C 2.781 179.763 176.870 0.188 0.000 1.077 340 L CA 2.121 57.050 54.840 0.148 0.000 0.747 340 L CB -1.460 40.635 42.059 0.061 0.000 0.896 340 L HN 0.199 nan 8.230 nan 0.000 0.432 341 A N -0.761 122.097 122.820 0.064 0.000 1.902 341 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 341 A C 2.479 180.135 177.584 0.120 0.000 1.181 341 A CA 1.923 54.002 52.037 0.070 0.000 0.623 341 A CB -0.823 18.175 19.000 -0.003 0.000 0.818 341 A HN 0.427 nan 8.150 nan 0.000 0.443 342 A N -0.219 122.655 122.820 0.091 0.000 1.902 342 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 342 A C 2.133 179.776 177.584 0.098 0.000 1.181 342 A CA 2.114 54.200 52.037 0.082 0.000 0.623 342 A CB -0.470 18.564 19.000 0.056 0.000 0.818 342 A HN 0.578 nan 8.150 nan 0.000 0.443 343 K N -1.538 118.939 120.400 0.128 0.000 2.057 343 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 343 K C 1.145 177.760 176.600 0.026 0.000 1.049 343 K CA 1.634 57.963 56.287 0.070 0.000 0.931 343 K CB -0.274 32.269 32.500 0.072 0.000 0.714 343 K HN 0.382 nan 8.250 nan 0.000 0.440 344 F N 0.457 120.426 119.950 0.033 0.000 2.797 344 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 344 F C 1.036 176.856 175.800 0.033 0.000 1.130 344 F CA 0.622 58.643 58.000 0.035 0.000 1.387 344 F CB 0.455 39.479 39.000 0.040 0.000 1.107 344 F HN 0.253 nan 8.300 nan 0.000 0.577 345 G N 1.462 110.369 108.800 0.179 0.000 2.353 345 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.294 345 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.294 345 G C -0.590 174.385 174.900 0.124 0.000 1.077 345 G CA 0.066 45.237 45.100 0.119 0.000 1.098 345 G HN 0.168 nan 8.290 nan 0.000 0.511 346 V N 0.989 120.978 119.914 0.124 0.000 2.531 346 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 346 V C 0.946 177.090 176.094 0.083 0.000 1.034 346 V CA -1.139 61.220 62.300 0.099 0.000 0.865 346 V CB 1.669 33.544 31.823 0.087 0.000 0.995 346 V HN 0.570 nan 8.190 nan 0.000 0.424 347 R N 2.386 122.944 120.500 0.096 0.000 2.734 347 R HA 0.469 4.809 4.340 -0.000 0.000 0.266 347 R C -0.852 175.520 176.300 0.120 0.000 1.044 347 R CA -0.203 55.962 56.100 0.109 0.000 1.128 347 R CB 0.796 31.221 30.300 0.209 0.000 1.010 347 R HN 0.494 nan 8.270 nan 0.000 0.461 348 V N 3.960 123.906 119.914 0.053 0.000 2.407 348 V HA 0.294 4.414 4.120 -0.000 0.000 0.291 348 V C -0.991 175.105 176.094 0.005 0.000 1.018 348 V CA -0.518 61.816 62.300 0.057 0.000 0.842 348 V CB 1.185 33.005 31.823 -0.005 0.000 0.996 348 V HN 0.524 nan 8.190 nan 0.000 0.426 349 F N 5.828 125.741 119.950 -0.062 0.000 2.359 349 F HA 0.481 5.008 4.527 -0.000 0.000 0.370 349 F C -2.209 173.650 175.800 0.099 0.000 1.077 349 F CA -2.770 55.241 58.000 0.019 0.000 1.136 349 F CB 1.391 40.297 39.000 -0.155 0.000 1.387 349 F HN 0.317 nan 8.300 nan 0.000 0.468 350 P HA -0.100 nan 4.420 nan 0.000 0.261 350 P C -0.443 176.985 177.300 0.212 0.000 1.173 350 P CA 0.455 63.635 63.100 0.134 0.000 0.760 350 P CB 0.251 31.938 31.700 -0.021 0.000 0.783 351 H N 2.916 122.059 119.070 0.121 0.000 2.562 351 H HA 0.613 5.169 4.556 -0.000 0.000 0.352 351 H C -0.169 175.182 175.328 0.039 0.000 1.125 351 H CA 0.024 56.147 56.048 0.124 0.000 1.379 351 H CB 0.521 30.364 29.762 0.134 0.000 1.464 351 H HN 0.486 nan 8.280 nan 0.000 0.563 352 A N 2.347 124.760 122.820 -0.679 0.000 3.136 352 A HA 0.779 5.099 4.320 -0.000 0.000 0.299 352 A C 0.503 177.719 177.584 -0.613 0.000 1.197 352 A CA -0.192 51.527 52.037 -0.531 0.000 0.640 352 A CB 0.340 19.206 19.000 -0.224 0.000 1.440 352 A HN 1.589 nan 8.150 nan 0.000 0.614 353 G N -1.700 106.868 108.800 -0.386 0.000 2.503 353 G HA2 0.442 4.402 3.960 -0.000 0.000 0.235 353 G HA3 0.442 4.402 3.960 -0.000 0.000 0.235 353 G C 1.592 176.126 174.900 -0.611 0.000 1.179 353 G CA 1.073 45.965 45.100 -0.346 0.000 0.944 353 G HN 2.869 nan 8.290 nan 0.000 0.580 354 G N -1.499 106.742 108.800 -0.931 0.000 2.661 354 G HA2 0.037 3.997 3.960 -0.000 0.000 0.327 354 G HA3 0.037 3.997 3.960 -0.000 0.000 0.327 354 G C 0.504 174.887 174.900 -0.861 0.000 1.320 354 G CA 1.855 45.779 45.100 -1.960 0.000 0.997 354 G HN 2.052 nan 8.290 nan 0.000 0.543 355 V N 1.251 120.733 119.914 -0.720 0.000 2.275 355 V HA 0.585 4.704 4.120 -0.000 0.000 0.272 355 V C 1.288 177.401 176.094 0.031 0.000 1.028 355 V CA 0.895 63.213 62.300 0.029 0.000 0.810 355 V CB -0.013 32.099 31.823 0.481 0.000 1.043 355 V HN 2.618 nan 8.190 nan 0.000 0.453 356 G N 4.116 112.806 108.800 -0.183 0.000 2.162 356 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 356 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 356 G C 0.668 175.356 174.900 -0.353 0.000 0.976 356 G CA 0.293 45.060 45.100 -0.556 0.000 0.655 356 G HN 0.489 nan 8.290 nan 0.000 0.533 357 L N -0.070 120.970 121.223 -0.305 0.000 2.201 357 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 357 L C 3.024 179.776 176.870 -0.196 0.000 1.105 357 L CA 1.964 56.650 54.840 -0.257 0.000 0.775 357 L CB -1.700 40.151 42.059 -0.348 0.000 0.913 357 L HN 0.553 nan 8.230 nan 0.000 0.440 358 C N -0.182 119.030 119.300 -0.146 0.000 2.453 358 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 358 C C 2.652 177.601 174.990 -0.069 0.000 1.262 358 C CA 0.192 59.195 59.018 -0.026 0.000 1.718 358 C CB -0.499 27.377 27.740 0.226 0.000 2.031 358 C HN 0.464 nan 8.230 nan 0.000 0.480 359 E N 1.161 121.298 120.200 -0.105 0.000 2.070 359 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 359 E C 2.004 178.619 176.600 0.024 0.000 1.004 359 E CA 1.278 57.621 56.400 -0.095 0.000 0.805 359 E CB -0.413 29.107 29.700 -0.301 0.000 0.744 359 E HN 0.584 nan 8.360 nan 0.000 0.451 360 L N -0.603 120.580 121.223 -0.066 0.000 1.993 360 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 360 L C 2.419 179.422 176.870 0.222 0.000 1.074 360 L CA 0.800 55.634 54.840 -0.010 0.000 0.746 360 L CB -0.782 41.060 42.059 -0.361 0.000 0.896 360 L HN 0.056 nan 8.230 nan 0.000 0.435 361 V N 0.796 120.720 119.914 0.015 0.000 2.568 361 V HA -0.319 3.801 4.120 -0.000 0.000 0.253 361 V C 2.700 178.721 176.094 -0.122 0.000 1.072 361 V CA 2.246 64.535 62.300 -0.018 0.000 1.084 361 V CB -0.547 31.225 31.823 -0.085 0.000 0.676 361 V HN 0.721 nan 8.190 nan 0.000 0.469 362 Q N -0.985 118.666 119.800 -0.248 0.000 2.112 362 Q HA -0.329 4.011 4.340 -0.000 0.000 0.206 362 Q C 1.904 177.693 176.000 -0.353 0.000 0.987 362 Q CA 2.649 58.152 55.803 -0.501 0.000 0.858 362 Q CB -0.750 27.612 28.738 -0.626 0.000 0.905 362 Q HN 0.775 nan 8.270 nan 0.000 0.420 363 H N 0.776 119.818 119.070 -0.047 0.000 2.353 363 H HA -0.031 4.525 4.556 -0.000 0.000 0.300 363 H C 2.082 177.405 175.328 -0.008 0.000 1.090 363 H CA 1.831 57.913 56.048 0.057 0.000 1.327 363 H CB -0.021 29.797 29.762 0.093 0.000 1.383 363 H HN 0.156 nan 8.280 nan 0.000 0.508 364 L N -0.233 121.030 121.223 0.067 0.000 2.017 364 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 364 L C 2.764 179.590 176.870 -0.074 0.000 1.073 364 L CA 1.028 55.856 54.840 -0.020 0.000 0.745 364 L CB -0.562 41.480 42.059 -0.028 0.000 0.894 364 L HN 0.348 nan 8.230 nan 0.000 0.432 365 A N -0.340 122.359 122.820 -0.201 0.000 1.930 365 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 365 A C 2.298 179.733 177.584 -0.248 0.000 1.175 365 A CA 1.628 53.476 52.037 -0.315 0.000 0.627 365 A CB -0.443 18.137 19.000 -0.700 0.000 0.815 365 A HN 0.344 nan 8.150 nan 0.000 0.443 366 M N -0.669 118.756 119.600 -0.292 0.000 2.175 366 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 366 M C 2.507 178.909 176.300 0.170 0.000 1.063 366 M CA 1.276 56.503 55.300 -0.122 0.000 1.119 366 M CB -0.323 32.013 32.600 -0.440 0.000 1.377 366 M HN 0.468 nan 8.290 nan 0.000 0.415 367 A N 0.135 123.073 122.820 0.196 0.000 1.902 367 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 367 A C 1.899 179.570 177.584 0.146 0.000 1.181 367 A CA 2.045 54.218 52.037 0.228 0.000 0.623 367 A CB -0.763 18.332 19.000 0.159 0.000 0.818 367 A HN 0.463 nan 8.150 nan 0.000 0.443 368 D N -0.968 119.496 120.400 0.107 0.000 2.117 368 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 368 D C 1.724 178.113 176.300 0.149 0.000 0.987 368 D CA 1.350 55.406 54.000 0.093 0.000 0.829 368 D CB -0.344 40.494 40.800 0.063 0.000 0.961 368 D HN 0.456 nan 8.370 nan 0.000 0.460 369 F N 0.689 120.691 119.950 0.086 0.000 2.069 369 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 369 F C 2.204 178.046 175.800 0.069 0.000 1.113 369 F CA 1.523 59.578 58.000 0.091 0.000 1.214 369 F CB -0.233 38.856 39.000 0.149 0.000 0.978 369 F HN -0.152 nan 8.300 nan 0.000 0.474 370 V N 0.603 120.440 119.914 -0.129 0.000 2.237 370 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 370 V C 2.474 178.480 176.094 -0.146 0.000 1.046 370 V CA 2.140 64.310 62.300 -0.216 0.000 1.007 370 V CB -1.414 30.468 31.823 0.099 0.000 0.638 370 V HN 0.503 nan 8.190 nan 0.000 0.445 371 A N -2.016 120.784 122.820 -0.033 0.000 2.303 371 A HA 0.365 4.685 4.320 -0.000 0.000 0.217 371 A C 1.855 179.427 177.584 -0.019 0.000 1.205 371 A CA 0.323 52.345 52.037 -0.025 0.000 0.875 371 A CB 0.013 19.018 19.000 0.008 0.000 0.910 371 A HN 0.510 nan 8.150 nan 0.000 0.501 372 I N -1.617 118.945 120.570 -0.013 0.000 3.534 372 I HA 0.001 4.171 4.170 -0.000 0.000 0.251 372 I C 2.475 178.593 176.117 0.000 0.000 1.136 372 I CA 1.299 62.601 61.300 0.004 0.000 1.475 372 I CB -0.160 37.853 38.000 0.022 0.000 1.526 372 I HN 0.312 nan 8.210 nan 0.000 0.454 373 T N -1.844 112.720 114.554 0.016 0.000 3.021 373 T HA 0.235 4.585 4.350 -0.000 0.000 0.245 373 T C 1.614 176.318 174.700 0.008 0.000 1.028 373 T CA 0.738 62.857 62.100 0.032 0.000 1.139 373 T CB 0.244 69.158 68.868 0.076 0.000 0.884 373 T HN 0.526 nan 8.240 nan 0.000 0.457 374 G N 1.799 110.574 108.800 -0.042 0.000 2.198 374 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.257 374 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.257 374 G C -0.255 174.783 174.900 0.231 0.000 1.042 374 G CA 0.175 45.156 45.100 -0.197 0.000 0.791 374 G HN 0.737 nan 8.290 nan 0.000 0.502 375 K N -0.618 120.032 120.400 0.417 0.000 2.541 375 K HA 0.634 4.954 4.320 -0.000 0.000 0.250 375 K C 0.826 177.488 176.600 0.102 0.000 0.950 375 K CA -0.356 56.080 56.287 0.247 0.000 0.805 375 K CB 1.377 33.940 32.500 0.104 0.000 1.166 375 K HN 0.338 nan 8.250 nan 0.000 0.430 376 M N -0.851 118.612 119.600 -0.228 0.000 2.075 376 M HA 0.258 4.738 4.480 -0.000 0.000 0.358 376 M C 0.401 176.365 176.300 -0.560 0.000 0.855 376 M CA -0.145 54.758 55.300 -0.663 0.000 1.148 376 M CB 0.603 32.330 32.600 -1.455 0.000 2.163 376 M HN 0.152 nan 8.290 nan 0.000 0.734 377 E N 2.347 122.342 120.200 -0.341 0.000 2.427 377 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 377 E C 0.493 177.022 176.600 -0.119 0.000 1.028 377 E CA 1.144 57.411 56.400 -0.221 0.000 0.864 377 E CB -0.107 29.508 29.700 -0.141 0.000 0.813 377 E HN 0.785 nan 8.360 nan 0.000 0.514 378 D N 0.287 120.620 120.400 -0.110 0.000 2.368 378 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 378 D C 0.783 177.046 176.300 -0.061 0.000 1.112 378 D CA -0.142 53.845 54.000 -0.022 0.000 0.834 378 D CB 0.283 41.090 40.800 0.012 0.000 0.953 378 D HN 0.038 nan 8.370 nan 0.000 0.505 379 R N -1.172 119.168 120.500 -0.267 0.000 2.829 379 R HA 0.825 5.165 4.340 -0.000 0.000 0.267 379 R C -1.707 174.301 176.300 -0.486 0.000 1.051 379 R CA -0.954 54.655 56.100 -0.818 0.000 0.927 379 R CB 0.737 30.490 30.300 -0.912 0.000 1.292 379 R HN -0.030 nan 8.270 nan 0.000 0.445 380 A N 0.325 122.825 122.820 -0.532 0.000 2.601 380 A HA 0.615 4.935 4.320 -0.000 0.000 0.291 380 A C -1.396 176.386 177.584 0.329 0.000 1.075 380 A CA -0.906 51.242 52.037 0.184 0.000 0.671 380 A CB 1.335 20.614 19.000 0.465 0.000 1.277 380 A HN 0.561 nan 8.150 nan 0.000 0.417 381 I N 1.301 122.084 120.570 0.354 0.000 2.359 381 I HA 0.299 4.469 4.170 -0.000 0.000 0.294 381 I C 0.590 176.779 176.117 0.121 0.000 0.987 381 I CA -0.329 61.063 61.300 0.153 0.000 1.225 381 I CB 1.643 39.538 38.000 -0.176 0.000 1.366 381 I HN 0.866 nan 8.210 nan 0.000 0.466 382 E N 5.914 126.023 120.200 -0.151 0.000 2.413 382 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 382 E C -1.588 174.945 176.600 -0.112 0.000 1.015 382 E CA -0.034 55.947 56.400 -0.698 0.000 0.916 382 E CB 0.828 30.262 29.700 -0.444 0.000 0.947 382 E HN 0.436 nan 8.360 nan 0.000 0.440 383 F N 4.298 124.076 119.950 -0.287 0.000 2.591 383 F HA 0.530 5.057 4.527 -0.000 0.000 0.309 383 F C -1.760 174.010 175.800 -0.051 0.000 1.098 383 F CA -0.579 57.393 58.000 -0.048 0.000 0.937 383 F CB 1.451 40.441 39.000 -0.017 0.000 1.250 383 F HN 0.243 nan 8.300 nan 0.000 0.447 384 V N 3.187 122.467 119.914 -1.056 0.000 3.130 384 V HA 0.360 4.480 4.120 -0.000 0.000 0.310 384 V C -1.499 174.019 176.094 -0.961 0.000 1.158 384 V CA -0.814 61.113 62.300 -0.622 0.000 1.029 384 V CB 2.088 33.882 31.823 -0.050 0.000 1.057 384 V HN 0.672 nan 8.190 nan 0.000 0.436 385 D N 0.937 121.165 120.400 -0.286 0.000 2.590 385 D HA 0.405 5.045 4.640 -0.000 0.000 0.280 385 D C -0.771 175.360 176.300 -0.281 0.000 1.197 385 D CA -0.091 53.837 54.000 -0.120 0.000 0.967 385 D CB -0.258 40.567 40.800 0.041 0.000 0.987 385 D HN 0.692 nan 8.370 nan 0.000 0.508 386 H N 1.470 120.360 119.070 -0.301 0.000 2.851 386 H HA 0.340 4.896 4.556 -0.000 0.000 0.372 386 H C 0.616 175.611 175.328 -0.555 0.000 1.158 386 H CA -0.896 54.945 56.048 -0.344 0.000 1.159 386 H CB 1.544 31.157 29.762 -0.248 0.000 1.757 386 H HN -0.149 nan 8.280 nan 0.000 0.546 387 L N 0.605 121.619 121.223 -0.347 0.000 4.914 387 L HA -0.327 4.013 4.340 -0.000 0.000 0.443 387 L C 1.360 178.073 176.870 -0.262 0.000 1.095 387 L CA 1.163 55.742 54.840 -0.435 0.000 0.975 387 L CB -2.101 39.760 42.059 -0.330 0.000 1.914 387 L HN 0.876 nan 8.230 nan 0.000 0.837 388 H N 1.031 120.068 119.070 -0.054 0.000 2.457 388 H HA -0.114 4.442 4.556 -0.000 0.000 0.297 388 H C 2.047 177.429 175.328 0.091 0.000 1.092 388 H CA 1.725 57.811 56.048 0.063 0.000 1.309 388 H CB 0.123 29.902 29.762 0.028 0.000 1.382 388 H HN 0.694 nan 8.280 nan 0.000 0.535 389 Q N 0.724 120.521 119.800 -0.005 0.000 2.515 389 Q HA -0.093 4.247 4.340 -0.000 0.000 0.212 389 Q C 0.500 176.527 176.000 0.046 0.000 0.970 389 Q CA 0.867 56.658 55.803 -0.021 0.000 0.941 389 Q CB -0.770 27.875 28.738 -0.155 0.000 0.998 389 Q HN 0.638 nan 8.270 nan 0.000 0.518 390 H N -1.228 117.910 119.070 0.113 0.000 2.586 390 H HA 0.304 4.860 4.556 -0.000 0.000 0.273 390 H C -0.560 174.603 175.328 -0.275 0.000 0.997 390 H CA -0.487 55.547 56.048 -0.023 0.000 1.177 390 H CB 0.384 29.966 29.762 -0.300 0.000 1.471 390 H HN 0.068 nan 8.280 nan 0.000 0.538 391 F N -0.217 119.763 119.950 0.049 0.000 2.492 391 F HA 0.149 4.676 4.527 -0.000 0.000 0.327 391 F C 0.465 176.068 175.800 -0.329 0.000 1.079 391 F CA -0.966 56.938 58.000 -0.159 0.000 0.967 391 F CB 1.521 40.515 39.000 -0.011 0.000 1.169 391 F HN -0.127 nan 8.300 nan 0.000 0.472 392 L N 0.792 121.849 121.223 -0.277 0.000 2.291 392 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 392 L C 0.601 177.494 176.870 0.038 0.000 1.120 392 L CA 1.462 56.182 54.840 -0.199 0.000 0.799 392 L CB -0.444 41.506 42.059 -0.181 0.000 0.925 392 L HN 0.524 nan 8.230 nan 0.000 0.446 393 D N -0.167 120.299 120.400 0.111 0.000 2.739 393 D HA 0.157 4.797 4.640 -0.000 0.000 0.335 393 D C -2.413 173.965 176.300 0.131 0.000 1.216 393 D CA -1.983 52.093 54.000 0.126 0.000 0.808 393 D CB 0.632 41.514 40.800 0.138 0.000 1.121 393 D HN -0.042 nan 8.370 nan 0.000 0.499 394 P HA -0.031 nan 4.420 nan 0.000 0.266 394 P C 0.526 177.849 177.300 0.038 0.000 1.193 394 P CA -0.319 62.852 63.100 0.117 0.000 0.770 394 P CB 0.863 32.652 31.700 0.149 0.000 0.836 395 V N 1.157 121.055 119.914 -0.027 0.000 3.287 395 V HA 0.244 4.364 4.120 -0.000 0.000 0.306 395 V C 0.420 176.472 176.094 -0.070 0.000 1.103 395 V CA -0.214 62.082 62.300 -0.007 0.000 1.159 395 V CB -0.332 31.544 31.823 0.088 0.000 1.036 395 V HN 0.460 nan 8.190 nan 0.000 0.487 396 R N 3.149 123.608 120.500 -0.067 0.000 2.483 396 R HA 0.627 4.967 4.340 -0.000 0.000 0.303 396 R C -1.294 174.853 176.300 -0.255 0.000 0.987 396 R CA -0.659 55.363 56.100 -0.130 0.000 0.881 396 R CB 1.659 31.921 30.300 -0.064 0.000 1.177 396 R HN 0.636 nan 8.270 nan 0.000 0.451 397 I N 2.850 123.187 120.570 -0.389 0.000 2.354 397 I HA 0.242 4.412 4.170 -0.000 0.000 0.292 397 I C -0.099 175.795 176.117 -0.373 0.000 0.989 397 I CA -0.333 60.636 61.300 -0.551 0.000 1.188 397 I CB 1.651 39.112 38.000 -0.899 0.000 1.342 397 I HN 0.631 nan 8.210 nan 0.000 0.457 398 Q N 6.568 126.174 119.800 -0.323 0.000 2.394 398 Q HA 0.190 4.530 4.340 -0.000 0.000 0.261 398 Q C -0.327 175.560 176.000 -0.189 0.000 1.023 398 Q CA -0.404 55.273 55.803 -0.209 0.000 0.720 398 Q CB 0.568 29.226 28.738 -0.134 0.000 1.241 398 Q HN 0.683 nan 8.270 nan 0.000 0.483 399 H N 2.966 121.831 119.070 -0.341 0.000 2.680 399 H HA -0.218 4.338 4.556 -0.000 0.000 0.328 399 H C 0.535 175.565 175.328 -0.497 0.000 1.139 399 H CA 1.628 57.461 56.048 -0.359 0.000 1.124 399 H CB -0.892 28.734 29.762 -0.227 0.000 1.584 399 H HN 1.184 nan 8.280 nan 0.000 0.410 400 G N 1.486 109.710 108.800 -0.960 0.000 2.168 400 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 400 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 400 G C 0.258 174.831 174.900 -0.545 0.000 0.997 400 G CA 0.775 45.181 45.100 -1.156 0.000 0.708 400 G HN 0.710 nan 8.290 nan 0.000 0.520 401 R N -1.602 118.640 120.500 -0.430 0.000 2.795 401 R HA 0.551 4.891 4.340 -0.000 0.000 0.275 401 R C -1.084 175.060 176.300 -0.261 0.000 0.981 401 R CA -0.960 55.004 56.100 -0.227 0.000 0.917 401 R CB 1.266 31.482 30.300 -0.140 0.000 1.202 401 R HN 0.097 nan 8.270 nan 0.000 0.469 402 Y N 1.683 121.910 120.300 -0.122 0.000 2.316 402 Y HA 0.246 4.796 4.550 -0.000 0.000 0.331 402 Y C 0.258 176.073 175.900 -0.143 0.000 1.083 402 Y CA -0.096 57.922 58.100 -0.138 0.000 1.206 402 Y CB 0.841 39.232 38.460 -0.115 0.000 1.195 402 Y HN 0.218 nan 8.280 nan 0.000 0.497 403 L N 3.959 125.185 121.223 0.004 0.000 2.312 403 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 403 L C 0.322 177.163 176.870 -0.049 0.000 1.070 403 L CA -1.037 53.782 54.840 -0.034 0.000 0.805 403 L CB 0.958 42.993 42.059 -0.039 0.000 1.174 403 L HN 0.683 nan 8.230 nan 0.000 0.434 404 A N 5.105 127.858 122.820 -0.110 0.000 2.492 404 A HA 0.394 4.714 4.320 -0.000 0.000 0.254 404 A C -2.206 175.417 177.584 0.065 0.000 1.091 404 A CA -0.973 50.936 52.037 -0.213 0.000 0.768 404 A CB -0.588 18.198 19.000 -0.356 0.000 1.028 404 A HN 0.433 nan 8.150 nan 0.000 0.498 405 P HA 0.092 nan 4.420 nan 0.000 0.267 405 P C 0.261 177.814 177.300 0.422 0.000 1.200 405 P CA 0.226 63.485 63.100 0.265 0.000 0.772 405 P CB 0.646 32.500 31.700 0.258 0.000 0.855 406 E N 0.093 120.454 120.200 0.268 0.000 2.306 406 E HA 0.068 4.418 4.350 -0.000 0.000 0.201 406 E C 0.109 176.802 176.600 0.156 0.000 0.874 406 E CA -0.014 56.513 56.400 0.213 0.000 0.972 406 E CB 0.019 29.810 29.700 0.152 0.000 0.957 406 E HN 0.122 nan 8.360 nan 0.000 0.492 407 V N 4.912 124.916 119.914 0.150 0.000 2.901 407 V HA -0.001 4.119 4.120 -0.000 0.000 0.307 407 V C -2.015 174.149 176.094 0.116 0.000 1.084 407 V CA -0.774 61.598 62.300 0.119 0.000 1.184 407 V CB 0.011 31.905 31.823 0.118 0.000 0.941 407 V HN 0.135 nan 8.190 nan 0.000 0.493 408 P HA 0.467 nan 4.420 nan 0.000 0.276 408 P C 0.112 177.441 177.300 0.049 0.000 1.230 408 P CA 0.692 63.816 63.100 0.040 0.000 0.776 408 P CB 1.235 32.948 31.700 0.021 0.000 0.888 409 G N 1.852 110.652 108.800 0.001 0.000 2.331 409 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.402 409 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.402 409 G C -0.837 174.038 174.900 -0.041 0.000 1.275 409 G CA -0.620 44.492 45.100 0.020 0.000 1.003 409 G HN 0.408 nan 8.290 nan 0.000 0.500 410 F N 0.664 120.556 119.950 -0.097 0.000 2.695 410 F HA 0.333 4.860 4.527 -0.000 0.000 0.303 410 F C 1.706 177.547 175.800 0.068 0.000 1.091 410 F CA 0.602 58.496 58.000 -0.175 0.000 1.300 410 F CB 0.351 39.327 39.000 -0.040 0.000 1.071 410 F HN 0.749 nan 8.300 nan 0.000 0.578 411 S N -0.123 115.784 115.700 0.345 0.000 3.361 411 S HA -0.269 4.201 4.470 -0.000 0.000 0.288 411 S C 0.923 175.647 174.600 0.207 0.000 1.269 411 S CA 0.505 58.870 58.200 0.274 0.000 0.976 411 S CB -1.837 61.553 63.200 0.317 0.000 1.162 411 S HN 0.564 nan 8.310 nan 0.000 0.643 412 A N 0.426 123.388 122.820 0.236 0.000 2.178 412 A HA 0.237 4.557 4.320 -0.000 0.000 0.211 412 A C 0.661 178.524 177.584 0.464 0.000 1.157 412 A CA 0.269 52.511 52.037 0.342 0.000 0.780 412 A CB -0.011 19.121 19.000 0.220 0.000 0.828 412 A HN 0.629 nan 8.150 nan 0.000 0.476 413 E N 0.524 120.817 120.200 0.154 0.000 2.480 413 E HA 0.194 4.544 4.350 -0.000 0.000 0.258 413 E C -0.494 176.016 176.600 -0.151 0.000 0.984 413 E CA 0.257 56.505 56.400 -0.253 0.000 0.930 413 E CB 0.203 29.539 29.700 -0.606 0.000 0.936 413 E HN 0.446 nan 8.360 nan 0.000 0.466 414 M N 2.867 122.294 119.600 -0.289 0.000 2.537 414 M HA 0.232 4.712 4.480 -0.000 0.000 0.324 414 M C -0.275 175.781 176.300 -0.407 0.000 1.187 414 M CA -0.893 54.043 55.300 -0.606 0.000 0.993 414 M CB 1.457 33.492 32.600 -0.941 0.000 1.666 414 M HN 0.452 nan 8.290 nan 0.000 0.461 415 H N 1.653 120.582 119.070 -0.234 0.000 3.004 415 H HA 0.038 4.594 4.556 -0.000 0.000 0.316 415 H C -1.816 173.444 175.328 -0.113 0.000 1.014 415 H CA -0.842 55.138 56.048 -0.112 0.000 1.454 415 H CB 0.267 30.001 29.762 -0.046 0.000 1.472 415 H HN 0.349 nan 8.280 nan 0.000 0.571 416 P HA -0.173 nan 4.420 nan 0.000 0.216 416 P C 1.318 178.639 177.300 0.035 0.000 1.150 416 P CA 1.901 65.019 63.100 0.030 0.000 0.843 416 P CB 0.242 31.979 31.700 0.062 0.000 0.787 417 A N -0.801 122.060 122.820 0.067 0.000 1.902 417 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 417 A C 2.335 179.971 177.584 0.087 0.000 1.181 417 A CA 2.212 54.287 52.037 0.065 0.000 0.623 417 A CB -1.509 17.519 19.000 0.047 0.000 0.818 417 A HN 0.129 nan 8.150 nan 0.000 0.443 418 S N -0.135 115.614 115.700 0.081 0.000 2.353 418 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 418 S C 1.780 176.414 174.600 0.057 0.000 1.035 418 S CA 1.647 59.871 58.200 0.040 0.000 1.025 418 S CB -0.481 62.645 63.200 -0.124 0.000 0.902 418 S HN 0.431 nan 8.310 nan 0.000 0.440 419 I N 2.275 122.802 120.570 -0.071 0.000 2.208 419 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 419 I C 2.523 178.660 176.117 0.032 0.000 1.097 419 I CA 1.146 62.387 61.300 -0.097 0.000 1.363 419 I CB -0.904 36.949 38.000 -0.244 0.000 1.051 419 I HN 0.260 nan 8.210 nan 0.000 0.413 420 A N -0.789 122.058 122.820 0.045 0.000 2.019 420 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 420 A C 2.356 179.985 177.584 0.074 0.000 1.164 420 A CA 1.979 54.057 52.037 0.068 0.000 0.644 420 A CB -0.582 18.451 19.000 0.055 0.000 0.805 420 A HN 0.553 nan 8.150 nan 0.000 0.449 421 E N -2.227 118.027 120.200 0.090 0.000 2.364 421 E HA 0.099 4.449 4.350 -0.000 0.000 0.196 421 E C -0.002 176.471 176.600 -0.212 0.000 0.990 421 E CA 0.076 56.446 56.400 -0.051 0.000 0.886 421 E CB 0.144 29.782 29.700 -0.104 0.000 0.866 421 E HN 0.551 nan 8.360 nan 0.000 0.493 422 F N 0.631 120.643 119.950 0.102 0.000 2.791 422 F HA 0.338 4.865 4.527 -0.000 0.000 0.308 422 F C -0.053 175.913 175.800 0.277 0.000 1.138 422 F CA -0.402 57.732 58.000 0.224 0.000 1.294 422 F CB 1.123 40.078 39.000 -0.076 0.000 0.975 422 F HN -0.217 nan 8.300 nan 0.000 0.512 423 S N 0.833 116.733 115.700 0.334 0.000 2.400 423 S HA 0.104 4.574 4.470 -0.000 0.000 0.295 423 S C -0.527 174.206 174.600 0.221 0.000 1.113 423 S CA -0.324 58.011 58.200 0.226 0.000 1.064 423 S CB -0.339 62.968 63.200 0.179 0.000 0.990 423 S HN 0.257 nan 8.310 nan 0.000 0.502 424 Y N 6.927 127.183 120.300 -0.074 0.000 2.526 424 Y HA 0.236 4.786 4.550 -0.000 0.000 0.330 424 Y C -1.536 174.294 175.900 -0.116 0.000 1.156 424 Y CA -1.417 56.522 58.100 -0.268 0.000 1.419 424 Y CB 0.860 39.016 38.460 -0.507 0.000 1.250 424 Y HN 0.435 nan 8.280 nan 0.000 0.540 425 P HA 0.116 nan 4.420 nan 0.000 0.282 425 P C -0.804 176.391 177.300 -0.176 0.000 1.373 425 P CA 0.164 62.819 63.100 -0.742 0.000 1.001 425 P CB 0.239 31.244 31.700 -1.159 0.000 1.489 426 D N -0.605 119.752 120.400 -0.073 0.000 2.722 426 D HA 0.301 4.941 4.640 -0.000 0.000 0.239 426 D C 0.769 177.114 176.300 0.076 0.000 1.249 426 D CA -0.594 53.407 54.000 0.002 0.000 0.830 426 D CB -0.316 40.475 40.800 -0.016 0.000 1.025 426 D HN -0.052 nan 8.370 nan 0.000 0.486 427 G N 0.030 108.934 108.800 0.173 0.000 2.367 427 G HA2 0.171 4.131 3.960 -0.000 0.000 0.314 427 G HA3 0.171 4.131 3.960 -0.000 0.000 0.314 427 G C 0.695 175.646 174.900 0.084 0.000 1.130 427 G CA -0.971 44.235 45.100 0.177 0.000 0.864 427 G HN 0.116 nan 8.290 nan 0.000 0.486 428 R N 1.300 121.809 120.500 0.014 0.000 2.140 428 R HA -0.247 4.093 4.340 -0.000 0.000 0.250 428 R C 1.858 178.105 176.300 -0.088 0.000 1.150 428 R CA 2.104 58.185 56.100 -0.033 0.000 0.966 428 R CB -0.307 29.972 30.300 -0.036 0.000 0.869 428 R HN 0.614 nan 8.270 nan 0.000 0.445 429 F N -0.611 119.126 119.950 -0.356 0.000 2.128 429 F HA -0.146 4.381 4.527 -0.000 0.000 0.295 429 F C 1.576 177.108 175.800 -0.447 0.000 1.100 429 F CA 1.501 59.175 58.000 -0.544 0.000 1.260 429 F CB -0.446 37.909 39.000 -1.075 0.000 1.009 429 F HN 0.034 nan 8.300 nan 0.000 0.476 430 W N 0.460 121.683 121.300 -0.128 0.000 2.402 430 W HA -0.064 4.596 4.660 -0.000 0.000 0.286 430 W C 2.547 178.965 176.519 -0.168 0.000 1.221 430 W CA 1.650 58.915 57.345 -0.133 0.000 1.257 430 W CB -0.724 28.817 29.460 0.135 0.000 1.120 430 W HN 0.038 nan 8.180 nan 0.000 0.551 431 V N -1.882 118.054 119.914 0.037 0.000 2.488 431 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 431 V C 1.813 177.856 176.094 -0.084 0.000 1.046 431 V CA 2.131 64.423 62.300 -0.014 0.000 1.053 431 V CB -0.863 30.952 31.823 -0.013 0.000 0.679 431 V HN 0.042 nan 8.190 nan 0.000 0.458 432 E N 0.743 120.850 120.200 -0.156 0.000 2.274 432 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 432 E C 1.901 178.354 176.600 -0.246 0.000 0.996 432 E CA 1.153 57.446 56.400 -0.178 0.000 0.840 432 E CB -0.344 29.245 29.700 -0.185 0.000 0.772 432 E HN 0.762 nan 8.360 nan 0.000 0.491 433 D N -0.644 119.530 120.400 -0.377 0.000 2.084 433 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 433 D C 0.681 176.886 176.300 -0.159 0.000 0.981 433 D CA 0.501 54.260 54.000 -0.402 0.000 0.841 433 D CB 0.173 40.578 40.800 -0.657 0.000 0.997 433 D HN 0.092 nan 8.370 nan 0.000 0.454 434 L N 0.000 121.184 121.223 -0.066 0.000 2.949 434 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 434 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 434 L CB 0.000 42.087 42.059 0.047 0.000 0.961 434 L HN 0.000 nan 8.230 nan 0.000 0.502