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 2bp7_1_D DATA FIRST_RESID 2 DATA SEQUENCE ATTTMTMIQA LRSAMDVMLE RDDNVVVYGQ DVGYFGGVFR CTEGLQTKYG DATA SEQUENCE KSRVFDAPIS ESGIVGTAVG MGAYGLRPVV EIQFADYFYP ASDQIVSEMA DATA SEQUENCE RLRYRSAGEF IAPLTLRMPC GGGIYGGQTH SQSPEAMFTQ VCGLRTVMPS DATA SEQUENCE NPYDAKGLLI ASIECDDPVI FLEPKRLYNG PFDGHHDRPV TPWSKHPHSA DATA SEQUENCE VPDGYYTVPL DKAAITRPGN DVSVLTYGTT VYVAQVAAEE SGVDAEVIDL DATA SEQUENCE RSLWPLDLDT IVESVKKTGR CVVVHEATRT CGFGAELVSL VQEHCFHHLE DATA SEQUENCE APIERVTGWD TPYPHAQEWA YFPGPSRVGA ALKKVMEV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.588 177.584 0.007 0.000 1.274 2 A CA 0.000 52.043 52.037 0.011 0.000 0.836 2 A CB 0.000 19.008 19.000 0.014 0.000 0.831 3 T N 0.790 115.350 114.554 0.010 0.000 2.952 3 T HA 0.703 5.053 4.350 -0.000 0.000 0.305 3 T C -1.056 173.657 174.700 0.023 0.000 1.064 3 T CA -0.063 62.044 62.100 0.013 0.000 1.008 3 T CB 1.747 70.621 68.868 0.010 0.000 1.078 3 T HN 0.818 nan 8.240 nan 0.000 0.459 4 T N 2.266 116.838 114.554 0.030 0.000 2.863 4 T HA 0.467 4.817 4.350 -0.000 0.000 0.285 4 T C -0.101 174.626 174.700 0.045 0.000 1.009 4 T CA -0.638 61.482 62.100 0.034 0.000 0.989 4 T CB 1.487 70.373 68.868 0.031 0.000 1.004 4 T HN 0.516 nan 8.240 nan 0.000 0.455 5 T N 3.398 117.982 114.554 0.052 0.000 2.799 5 T HA 0.433 4.783 4.350 -0.000 0.000 0.296 5 T C -0.070 174.672 174.700 0.070 0.000 0.947 5 T CA -0.233 61.909 62.100 0.071 0.000 1.141 5 T CB -0.046 68.870 68.868 0.079 0.000 0.891 5 T HN 0.324 nan 8.240 nan 0.000 0.533 6 M N 2.168 121.808 119.600 0.067 0.000 2.550 6 M HA 0.526 5.006 4.480 -0.000 0.000 0.292 6 M C 0.542 176.866 176.300 0.039 0.000 1.221 6 M CA -1.308 54.020 55.300 0.046 0.000 0.873 6 M CB 1.994 34.600 32.600 0.011 0.000 1.727 6 M HN 0.924 nan 8.290 nan 0.000 0.459 7 T N -1.432 113.168 114.554 0.077 0.000 2.788 7 T HA 0.350 4.700 4.350 -0.000 0.000 0.280 7 T C 1.329 175.979 174.700 -0.082 0.000 0.984 7 T CA 0.102 62.270 62.100 0.114 0.000 0.972 7 T CB 0.817 69.856 68.868 0.285 0.000 1.039 7 T HN 0.721 nan 8.240 nan 0.000 0.530 8 M N 0.596 120.139 119.600 -0.095 0.000 2.108 8 M HA -0.029 4.451 4.480 -0.000 0.000 0.261 8 M C 2.267 178.589 176.300 0.037 0.000 1.066 8 M CA 1.431 56.719 55.300 -0.020 0.000 1.107 8 M CB -1.783 30.940 32.600 0.205 0.000 1.356 8 M HN 0.733 nan 8.290 nan 0.000 0.406 9 I N -0.002 120.573 120.570 0.009 0.000 2.118 9 I HA -0.386 3.784 4.170 -0.000 0.000 0.241 9 I C 2.723 178.789 176.117 -0.086 0.000 1.070 9 I CA 2.413 63.618 61.300 -0.157 0.000 1.327 9 I CB -0.675 37.193 38.000 -0.219 0.000 1.034 9 I HN 0.522 nan 8.210 nan 0.000 0.405 10 Q N 0.430 120.207 119.800 -0.040 0.000 2.119 10 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 10 Q C 2.448 178.426 176.000 -0.036 0.000 0.972 10 Q CA 1.586 57.371 55.803 -0.030 0.000 0.847 10 Q CB -0.313 28.424 28.738 -0.001 0.000 0.903 10 Q HN 0.596 nan 8.270 nan 0.000 0.433 11 A N 1.091 123.885 122.820 -0.044 0.000 1.898 11 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 11 A C 2.109 179.653 177.584 -0.067 0.000 1.181 11 A CA 1.059 53.065 52.037 -0.052 0.000 0.620 11 A CB -0.619 18.339 19.000 -0.070 0.000 0.819 11 A HN 0.257 nan 8.150 nan 0.000 0.442 12 L N -1.152 120.037 121.223 -0.057 0.000 2.056 12 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 12 L C 2.746 179.556 176.870 -0.100 0.000 1.078 12 L CA 1.752 56.546 54.840 -0.075 0.000 0.749 12 L CB -0.473 41.573 42.059 -0.022 0.000 0.901 12 L HN 0.430 nan 8.230 nan 0.000 0.433 13 R N -0.377 120.074 120.500 -0.081 0.000 2.091 13 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 13 R C 2.573 178.839 176.300 -0.057 0.000 1.136 13 R CA 1.747 57.804 56.100 -0.072 0.000 0.959 13 R CB -0.236 30.026 30.300 -0.063 0.000 0.856 13 R HN 0.211 nan 8.270 nan 0.000 0.437 14 S N -0.403 115.267 115.700 -0.050 0.000 2.368 14 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 14 S C 1.939 176.503 174.600 -0.060 0.000 1.029 14 S CA 1.111 59.291 58.200 -0.033 0.000 0.988 14 S CB -0.236 62.954 63.200 -0.018 0.000 0.838 14 S HN 0.543 nan 8.310 nan 0.000 0.462 15 A N 0.992 123.746 122.820 -0.111 0.000 1.883 15 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 15 A C 2.510 180.004 177.584 -0.151 0.000 1.186 15 A CA 2.188 54.126 52.037 -0.165 0.000 0.624 15 A CB -0.891 17.965 19.000 -0.240 0.000 0.822 15 A HN 0.546 nan 8.150 nan 0.000 0.444 16 M N -0.739 118.771 119.600 -0.151 0.000 2.132 16 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 16 M C 2.088 178.306 176.300 -0.136 0.000 1.065 16 M CA 2.048 57.254 55.300 -0.157 0.000 1.122 16 M CB -1.320 31.189 32.600 -0.152 0.000 1.365 16 M HN 0.829 nan 8.290 nan 0.000 0.411 17 D N -0.026 120.340 120.400 -0.057 0.000 2.104 17 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 17 D C 1.766 178.089 176.300 0.038 0.000 0.994 17 D CA 1.714 55.741 54.000 0.044 0.000 0.830 17 D CB -0.177 40.679 40.800 0.095 0.000 0.959 17 D HN 0.293 nan 8.370 nan 0.000 0.452 18 V N -0.232 119.686 119.914 0.007 0.000 2.261 18 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 18 V C 2.860 178.943 176.094 -0.018 0.000 1.047 18 V CA 2.039 64.355 62.300 0.026 0.000 1.015 18 V CB -0.678 31.171 31.823 0.043 0.000 0.642 18 V HN 0.284 nan 8.190 nan 0.000 0.446 19 M N -1.277 118.280 119.600 -0.070 0.000 2.229 19 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 19 M C 2.145 178.348 176.300 -0.161 0.000 1.063 19 M CA 1.138 56.378 55.300 -0.100 0.000 1.114 19 M CB -1.280 31.253 32.600 -0.112 0.000 1.387 19 M HN 0.450 nan 8.290 nan 0.000 0.420 20 L N 0.670 121.733 121.223 -0.266 0.000 2.042 20 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 20 L C 2.499 179.121 176.870 -0.413 0.000 1.076 20 L CA 2.482 57.027 54.840 -0.492 0.000 0.749 20 L CB -0.997 40.490 42.059 -0.954 0.000 0.893 20 L HN 0.534 nan 8.230 nan 0.000 0.432 21 E N -0.634 119.458 120.200 -0.179 0.000 2.072 21 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 21 E C 2.429 179.036 176.600 0.012 0.000 0.982 21 E CA 1.232 57.689 56.400 0.096 0.000 0.803 21 E CB -0.223 29.601 29.700 0.207 0.000 0.755 21 E HN 0.342 nan 8.360 nan 0.000 0.453 22 R N -0.260 120.214 120.500 -0.044 0.000 2.148 22 R HA 0.000 4.340 4.340 -0.000 0.000 0.223 22 R C -0.264 175.987 176.300 -0.082 0.000 1.088 22 R CA 1.175 57.228 56.100 -0.079 0.000 0.985 22 R CB 0.239 30.458 30.300 -0.135 0.000 0.880 22 R HN 0.092 nan 8.270 nan 0.000 0.451 23 D N -0.489 119.864 120.400 -0.078 0.000 2.696 23 D HA 0.059 4.699 4.640 -0.000 0.000 0.251 23 D C -0.388 175.884 176.300 -0.048 0.000 1.188 23 D CA -0.433 53.529 54.000 -0.063 0.000 0.876 23 D CB 1.514 42.272 40.800 -0.069 0.000 1.334 23 D HN -0.088 nan 8.370 nan 0.000 0.540 24 D N 2.230 122.618 120.400 -0.020 0.000 2.182 24 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 24 D C 1.074 177.378 176.300 0.006 0.000 0.986 24 D CA 0.806 54.807 54.000 0.001 0.000 0.847 24 D CB 0.363 41.174 40.800 0.018 0.000 0.942 24 D HN 0.438 nan 8.370 nan 0.000 0.467 25 N N 0.468 119.173 118.700 0.009 0.000 2.459 25 N HA -0.047 4.693 4.740 -0.000 0.000 0.181 25 N C 0.487 176.005 175.510 0.013 0.000 1.046 25 N CA 0.072 53.140 53.050 0.029 0.000 0.904 25 N CB 0.266 38.778 38.487 0.040 0.000 0.964 25 N HN 0.051 nan 8.380 nan 0.000 0.444 26 V N 1.832 121.729 119.914 -0.028 0.000 2.599 26 V HA 0.041 4.161 4.120 -0.000 0.000 0.300 26 V C 0.397 176.462 176.094 -0.047 0.000 1.034 26 V CA 0.145 62.411 62.300 -0.056 0.000 1.115 26 V CB 1.104 32.861 31.823 -0.110 0.000 0.934 26 V HN -0.155 nan 8.190 nan 0.000 0.485 27 V N 5.195 125.096 119.914 -0.021 0.000 2.925 27 V HA 0.562 4.682 4.120 -0.000 0.000 0.311 27 V C -0.580 175.499 176.094 -0.026 0.000 1.104 27 V CA -0.577 61.737 62.300 0.024 0.000 0.954 27 V CB 2.528 34.436 31.823 0.142 0.000 1.022 27 V HN 0.561 nan 8.190 nan 0.000 0.427 28 V N 5.106 124.985 119.914 -0.058 0.000 2.483 28 V HA 0.696 4.816 4.120 -0.000 0.000 0.297 28 V C -1.008 174.967 176.094 -0.200 0.000 1.027 28 V CA -0.576 61.639 62.300 -0.141 0.000 0.855 28 V CB 1.339 33.078 31.823 -0.140 0.000 0.995 28 V HN 0.945 nan 8.190 nan 0.000 0.424 29 Y N 2.340 122.389 120.300 -0.418 0.000 2.725 29 Y HA 1.007 5.557 4.550 -0.000 0.000 0.333 29 Y C -0.075 175.671 175.900 -0.257 0.000 1.242 29 Y CA -0.354 57.420 58.100 -0.543 0.000 1.059 29 Y CB 1.690 39.410 38.460 -1.233 0.000 1.306 29 Y HN 1.063 nan 8.280 nan 0.000 0.454 30 G N 0.314 109.100 108.800 -0.022 0.000 2.356 30 G HA2 0.234 4.194 3.960 -0.000 0.000 0.288 30 G HA3 0.234 4.194 3.960 -0.000 0.000 0.288 30 G C -2.169 172.785 174.900 0.089 0.000 1.302 30 G CA -1.352 43.750 45.100 0.002 0.000 0.887 30 G HN 0.763 nan 8.290 nan 0.000 0.521 31 Q N 0.938 120.794 119.800 0.094 0.000 2.293 31 Q HA 0.390 4.730 4.340 -0.000 0.000 0.263 31 Q C -0.131 175.945 176.000 0.127 0.000 1.002 31 Q CA 0.500 56.369 55.803 0.111 0.000 0.910 31 Q CB 0.564 29.362 28.738 0.101 0.000 1.185 31 Q HN 0.560 nan 8.270 nan 0.000 0.401 32 D N 1.075 121.560 120.400 0.143 0.000 3.077 32 D HA -0.198 4.442 4.640 -0.000 0.000 0.217 32 D C 0.598 177.036 176.300 0.229 0.000 1.162 32 D CA 0.599 54.722 54.000 0.204 0.000 0.943 32 D CB -1.158 39.770 40.800 0.213 0.000 1.122 32 D HN 0.377 nan 8.370 nan 0.000 0.413 33 V N 0.155 120.155 119.914 0.145 0.000 2.548 33 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 33 V C 2.432 178.581 176.094 0.092 0.000 1.055 33 V CA 2.256 64.608 62.300 0.086 0.000 1.065 33 V CB -0.177 31.656 31.823 0.016 0.000 0.681 33 V HN 0.431 nan 8.190 nan 0.000 0.462 34 G N -1.488 107.399 108.800 0.145 0.000 2.679 34 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.185 34 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.185 34 G C 1.221 176.233 174.900 0.186 0.000 1.656 34 G CA 0.806 46.007 45.100 0.169 0.000 0.892 34 G HN 0.341 nan 8.290 nan 0.000 0.389 35 Y N 0.238 120.618 120.300 0.133 0.000 2.069 35 Y HA -0.263 4.287 4.550 -0.000 0.000 0.278 35 Y C 2.418 178.409 175.900 0.151 0.000 1.175 35 Y CA 2.655 60.831 58.100 0.128 0.000 1.134 35 Y CB -0.440 38.097 38.460 0.128 0.000 0.965 35 Y HN 0.201 nan 8.280 nan 0.000 0.498 36 F N 0.310 120.391 119.950 0.217 0.000 2.293 36 F HA 0.077 4.604 4.527 -0.000 0.000 0.300 36 F C 1.907 177.713 175.800 0.010 0.000 1.086 36 F CA 1.590 59.665 58.000 0.126 0.000 1.375 36 F CB -0.454 38.634 39.000 0.148 0.000 1.045 36 F HN 0.256 nan 8.300 nan 0.000 0.516 37 G N -0.075 108.676 108.800 -0.082 0.000 2.141 37 G HA2 0.104 4.064 3.960 -0.000 0.000 0.242 37 G HA3 0.104 4.064 3.960 -0.000 0.000 0.242 37 G C 0.700 175.495 174.900 -0.174 0.000 0.982 37 G CA 0.253 45.243 45.100 -0.184 0.000 0.662 37 G HN 1.526 nan 8.290 nan 0.000 0.527 38 G N -2.329 106.453 108.800 -0.031 0.000 2.777 38 G HA2 0.183 4.143 3.960 -0.000 0.000 0.686 38 G HA3 0.183 4.143 3.960 -0.000 0.000 0.686 38 G C 1.011 175.939 174.900 0.047 0.000 1.177 38 G CA 0.631 45.772 45.100 0.068 0.000 0.775 38 G HN 1.821 nan 8.290 nan 0.000 0.613 39 V N -0.843 119.177 119.914 0.176 0.000 3.026 39 V HA 0.158 4.278 4.120 -0.000 0.000 0.265 39 V C 1.777 177.708 176.094 -0.271 0.000 1.121 39 V CA 2.214 64.565 62.300 0.084 0.000 1.142 39 V CB -0.705 31.101 31.823 -0.029 0.000 0.730 39 V HN 0.799 nan 8.190 nan 0.000 0.503 40 F N 0.008 119.939 119.950 -0.033 0.000 2.698 40 F HA 0.553 5.080 4.527 -0.000 0.000 0.304 40 F C 1.493 177.148 175.800 -0.242 0.000 1.108 40 F CA -0.524 57.387 58.000 -0.149 0.000 1.263 40 F CB 0.187 39.036 39.000 -0.251 0.000 1.013 40 F HN -0.048 nan 8.300 nan 0.000 0.532 41 R N -1.984 118.455 120.500 -0.101 0.000 3.977 41 R HA -0.264 4.076 4.340 -0.000 0.000 0.428 41 R C 1.185 177.403 176.300 -0.137 0.000 1.079 41 R CA 0.937 56.939 56.100 -0.162 0.000 1.269 41 R CB -2.538 27.683 30.300 -0.131 0.000 1.856 41 R HN 0.407 nan 8.270 nan 0.000 0.551 42 C N 0.009 119.240 119.300 -0.115 0.000 2.430 42 C HA -0.051 4.409 4.460 -0.000 0.000 0.288 42 C C 2.006 176.942 174.990 -0.090 0.000 1.448 42 C CA 1.392 60.338 59.018 -0.120 0.000 1.784 42 C CB -0.744 26.926 27.740 -0.116 0.000 1.776 42 C HN 0.686 nan 8.230 nan 0.000 0.547 43 T N -3.318 111.186 114.554 -0.083 0.000 3.288 43 T HA 0.136 4.486 4.350 -0.000 0.000 0.293 43 T C -0.078 174.578 174.700 -0.072 0.000 1.008 43 T CA -0.151 61.910 62.100 -0.066 0.000 0.929 43 T CB -0.173 68.667 68.868 -0.047 0.000 1.152 43 T HN 0.348 nan 8.240 nan 0.000 0.517 44 E N 1.650 121.786 120.200 -0.107 0.000 2.502 44 E HA 0.242 4.592 4.350 -0.000 0.000 0.261 44 E C 1.500 178.049 176.600 -0.084 0.000 0.974 44 E CA 1.442 57.765 56.400 -0.128 0.000 0.936 44 E CB 0.375 29.991 29.700 -0.140 0.000 0.926 44 E HN 0.647 nan 8.360 nan 0.000 0.459 45 G N 3.015 111.757 108.800 -0.098 0.000 2.257 45 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.267 45 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.267 45 G C 1.031 175.924 174.900 -0.012 0.000 0.984 45 G CA 0.710 45.768 45.100 -0.070 0.000 0.626 45 G HN 0.513 nan 8.290 nan 0.000 0.540 46 L N -0.221 121.020 121.223 0.030 0.000 2.083 46 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 46 L C 2.866 179.845 176.870 0.183 0.000 1.083 46 L CA 2.082 57.009 54.840 0.145 0.000 0.752 46 L CB -0.445 41.671 42.059 0.095 0.000 0.899 46 L HN 0.505 nan 8.230 nan 0.000 0.433 47 Q N -0.291 119.565 119.800 0.094 0.000 2.079 47 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 47 Q C 2.097 178.142 176.000 0.075 0.000 0.974 47 Q CA 2.022 57.891 55.803 0.110 0.000 0.840 47 Q CB 0.060 28.861 28.738 0.104 0.000 0.898 47 Q HN 0.397 nan 8.270 nan 0.000 0.430 48 T N 0.938 115.497 114.554 0.008 0.000 2.759 48 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 48 T C 1.654 176.325 174.700 -0.049 0.000 1.042 48 T CA 1.699 63.784 62.100 -0.025 0.000 1.140 48 T CB -0.115 68.713 68.868 -0.068 0.000 0.864 48 T HN 0.269 nan 8.240 nan 0.000 0.455 49 K N -0.469 119.881 120.400 -0.083 0.000 2.098 49 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 49 K C 1.252 177.628 176.600 -0.374 0.000 1.051 49 K CA 1.007 57.130 56.287 -0.274 0.000 0.957 49 K CB 0.054 32.307 32.500 -0.411 0.000 0.738 49 K HN 0.407 nan 8.250 nan 0.000 0.447 50 Y N -0.246 120.060 120.300 0.009 0.000 2.467 50 Y HA 0.291 4.841 4.550 -0.000 0.000 0.250 50 Y C 0.543 176.463 175.900 0.033 0.000 1.155 50 Y CA 0.099 58.210 58.100 0.018 0.000 1.249 50 Y CB 1.413 39.883 38.460 0.018 0.000 1.146 50 Y HN 0.231 nan 8.280 nan 0.000 0.524 51 G N 0.677 109.567 108.800 0.149 0.000 2.712 51 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.686 51 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.686 51 G C 0.255 175.245 174.900 0.150 0.000 1.321 51 G CA -0.358 44.813 45.100 0.119 0.000 0.813 51 G HN 0.235 nan 8.290 nan 0.000 0.599 52 K N 0.100 120.576 120.400 0.127 0.000 2.113 52 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 52 K C 2.752 179.458 176.600 0.176 0.000 1.047 52 K CA 2.004 58.381 56.287 0.150 0.000 0.928 52 K CB -0.197 32.350 32.500 0.080 0.000 0.716 52 K HN 0.386 nan 8.250 nan 0.000 0.446 53 S N 0.256 116.015 115.700 0.099 0.000 2.555 53 S HA 0.018 4.488 4.470 -0.000 0.000 0.230 53 S C 1.413 176.131 174.600 0.196 0.000 0.978 53 S CA 0.687 58.924 58.200 0.062 0.000 0.934 53 S CB 0.041 63.244 63.200 0.006 0.000 0.766 53 S HN 0.233 nan 8.310 nan 0.000 0.533 54 R N 0.009 120.649 120.500 0.233 0.000 2.225 54 R HA 0.285 4.625 4.340 -0.000 0.000 0.194 54 R C -0.202 176.207 176.300 0.182 0.000 0.949 54 R CA 0.479 56.691 56.100 0.188 0.000 1.088 54 R CB 0.341 30.712 30.300 0.118 0.000 1.106 54 R HN 0.182 nan 8.270 nan 0.000 0.566 55 V N 3.101 123.147 119.914 0.221 0.000 2.525 55 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 55 V C -1.009 175.227 176.094 0.236 0.000 1.034 55 V CA -0.825 61.542 62.300 0.112 0.000 0.863 55 V CB 1.442 33.319 31.823 0.090 0.000 0.999 55 V HN 0.196 nan 8.190 nan 0.000 0.423 56 F N 0.937 120.956 119.950 0.115 0.000 2.668 56 F HA 0.674 5.201 4.527 -0.000 0.000 0.309 56 F C -0.531 175.352 175.800 0.138 0.000 1.117 56 F CA -1.205 56.855 58.000 0.100 0.000 0.951 56 F CB 1.104 40.124 39.000 0.033 0.000 1.323 56 F HN 0.339 nan 8.300 nan 0.000 0.451 57 D N 1.461 122.064 120.400 0.338 0.000 2.372 57 D HA 0.496 5.136 4.640 -0.000 0.000 0.243 57 D C -0.314 176.179 176.300 0.322 0.000 1.121 57 D CA 0.312 54.463 54.000 0.252 0.000 0.898 57 D CB 1.871 42.794 40.800 0.205 0.000 1.202 57 D HN 0.868 nan 8.370 nan 0.000 0.428 58 A N 2.147 125.113 122.820 0.244 0.000 2.386 58 A HA 0.708 5.028 4.320 -0.000 0.000 0.308 58 A C -2.467 175.213 177.584 0.161 0.000 1.128 58 A CA -1.218 50.972 52.037 0.256 0.000 0.789 58 A CB 0.874 20.068 19.000 0.323 0.000 1.325 58 A HN 0.297 nan 8.150 nan 0.000 0.437 59 P HA 0.336 nan 4.420 nan 0.000 0.274 59 P C -0.639 176.709 177.300 0.079 0.000 1.256 59 P CA -0.281 62.870 63.100 0.085 0.000 0.795 59 P CB 0.290 32.032 31.700 0.070 0.000 1.038 60 I N 0.511 121.110 120.570 0.047 0.000 2.270 60 I HA 0.145 4.315 4.170 -0.000 0.000 0.300 60 I C 0.431 176.570 176.117 0.036 0.000 1.186 60 I CA 0.631 61.951 61.300 0.033 0.000 1.431 60 I CB -0.719 37.279 38.000 -0.003 0.000 1.485 60 I HN 0.131 nan 8.210 nan 0.000 0.650 61 S N 3.309 119.046 115.700 0.062 0.000 2.511 61 S HA 0.272 4.742 4.470 -0.000 0.000 0.233 61 S C 0.571 175.222 174.600 0.085 0.000 1.104 61 S CA -0.602 57.637 58.200 0.064 0.000 1.129 61 S CB 0.778 64.016 63.200 0.063 0.000 1.159 61 S HN 0.510 nan 8.310 nan 0.000 0.451 62 E N 1.702 121.953 120.200 0.085 0.000 2.077 62 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 62 E C 2.164 178.824 176.600 0.100 0.000 0.989 62 E CA 1.740 58.201 56.400 0.102 0.000 0.800 62 E CB -0.073 29.703 29.700 0.125 0.000 0.746 62 E HN 0.739 nan 8.360 nan 0.000 0.452 63 S N -0.246 115.508 115.700 0.090 0.000 2.382 63 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 63 S C 2.222 176.875 174.600 0.088 0.000 1.027 63 S CA 1.135 59.387 58.200 0.086 0.000 0.991 63 S CB -0.794 62.449 63.200 0.071 0.000 0.823 63 S HN 0.301 nan 8.310 nan 0.000 0.469 64 G N 1.727 110.582 108.800 0.091 0.000 2.404 64 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.215 64 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.215 64 G C 1.431 176.424 174.900 0.154 0.000 1.174 64 G CA 0.854 46.017 45.100 0.106 0.000 0.780 64 G HN 0.550 nan 8.290 nan 0.000 0.537 65 I N 0.366 121.035 120.570 0.166 0.000 2.127 65 I HA -0.188 3.982 4.170 -0.000 0.000 0.241 65 I C 2.805 179.000 176.117 0.129 0.000 1.075 65 I CA 0.818 62.242 61.300 0.207 0.000 1.334 65 I CB -0.262 37.797 38.000 0.098 0.000 1.040 65 I HN 0.037 nan 8.210 nan 0.000 0.405 66 V N 0.793 120.753 119.914 0.077 0.000 2.358 66 V HA -0.173 3.946 4.120 -0.000 0.000 0.246 66 V C 2.548 178.693 176.094 0.085 0.000 1.047 66 V CA 2.051 64.385 62.300 0.057 0.000 1.035 66 V CB -1.449 30.413 31.823 0.066 0.000 0.658 66 V HN 0.580 nan 8.190 nan 0.000 0.452 67 G N 0.780 109.637 108.800 0.096 0.000 2.459 67 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 67 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 67 G C 1.799 176.757 174.900 0.097 0.000 1.183 67 G CA 1.845 46.996 45.100 0.085 0.000 0.776 67 G HN 0.562 nan 8.290 nan 0.000 0.552 68 T N 0.001 114.635 114.554 0.133 0.000 2.788 68 T HA 0.084 4.434 4.350 -0.000 0.000 0.268 68 T C 2.582 177.392 174.700 0.185 0.000 1.044 68 T CA 1.817 64.004 62.100 0.146 0.000 1.139 68 T CB -0.482 68.486 68.868 0.167 0.000 0.867 68 T HN 0.386 nan 8.240 nan 0.000 0.454 69 A N 1.297 124.255 122.820 0.231 0.000 1.908 69 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 69 A C 2.658 180.313 177.584 0.119 0.000 1.181 69 A CA 1.703 53.855 52.037 0.191 0.000 0.627 69 A CB -1.220 17.829 19.000 0.082 0.000 0.818 69 A HN 0.416 nan 8.150 nan 0.000 0.445 70 V N -0.110 119.859 119.914 0.092 0.000 2.332 70 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 70 V C 2.787 178.925 176.094 0.073 0.000 1.055 70 V CA 2.031 64.374 62.300 0.072 0.000 1.038 70 V CB -1.418 30.437 31.823 0.054 0.000 0.651 70 V HN 0.631 nan 8.190 nan 0.000 0.450 71 G N -0.867 107.976 108.800 0.072 0.000 2.402 71 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 71 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 71 G C 1.808 176.777 174.900 0.115 0.000 1.162 71 G CA 1.402 46.542 45.100 0.068 0.000 0.777 71 G HN 0.365 nan 8.290 nan 0.000 0.539 72 M N 0.815 120.485 119.600 0.118 0.000 2.117 72 M HA 0.062 4.542 4.480 -0.000 0.000 0.262 72 M C 3.081 179.491 176.300 0.183 0.000 1.065 72 M CA 1.329 56.707 55.300 0.130 0.000 1.114 72 M CB -1.563 31.116 32.600 0.131 0.000 1.361 72 M HN 0.454 nan 8.290 nan 0.000 0.408 73 G N -0.746 108.145 108.800 0.151 0.000 2.402 73 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 73 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 73 G C 1.745 176.755 174.900 0.183 0.000 1.162 73 G CA 1.063 46.249 45.100 0.145 0.000 0.777 73 G HN 0.710 nan 8.290 nan 0.000 0.539 74 A N 0.086 123.022 122.820 0.193 0.000 1.908 74 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 74 A C 2.201 179.969 177.584 0.306 0.000 1.181 74 A CA 1.804 54.004 52.037 0.271 0.000 0.627 74 A CB -0.718 18.353 19.000 0.119 0.000 0.818 74 A HN 0.520 nan 8.150 nan 0.000 0.445 75 Y N -0.439 119.940 120.300 0.131 0.000 2.200 75 Y HA 0.141 4.691 4.550 -0.000 0.000 0.290 75 Y C 1.635 177.586 175.900 0.085 0.000 1.137 75 Y CA 1.975 60.138 58.100 0.105 0.000 1.163 75 Y CB 0.013 38.516 38.460 0.072 0.000 0.988 75 Y HN 0.468 nan 8.280 nan 0.000 0.518 76 G N -0.634 108.332 108.800 0.277 0.000 2.276 76 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.177 76 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.177 76 G C -0.300 174.711 174.900 0.185 0.000 1.017 76 G CA -0.077 45.116 45.100 0.154 0.000 0.750 76 G HN 0.240 nan 8.290 nan 0.000 0.506 77 L N -0.352 121.004 121.223 0.222 0.000 2.469 77 L HA 0.680 5.020 4.340 -0.000 0.000 0.253 77 L C 1.066 177.990 176.870 0.091 0.000 1.143 77 L CA -0.953 53.972 54.840 0.143 0.000 0.804 77 L CB 0.985 43.122 42.059 0.130 0.000 1.214 77 L HN 0.114 nan 8.230 nan 0.000 0.476 78 R N 1.367 121.900 120.500 0.055 0.000 2.494 78 R HA 0.328 4.668 4.340 -0.000 0.000 0.284 78 R C -2.615 173.685 176.300 0.001 0.000 1.525 78 R CA -1.541 54.569 56.100 0.018 0.000 1.460 78 R CB 0.821 31.116 30.300 -0.008 0.000 1.134 78 R HN 0.220 nan 8.270 nan 0.000 0.592 79 P HA 0.072 nan 4.420 nan 0.000 0.282 79 P C -0.816 176.427 177.300 -0.094 0.000 1.274 79 P CA -0.275 62.823 63.100 -0.003 0.000 0.770 79 P CB 1.466 33.197 31.700 0.052 0.000 0.867 80 V N 5.503 125.333 119.914 -0.140 0.000 2.294 80 V HA 0.237 4.357 4.120 -0.000 0.000 0.272 80 V C 0.423 176.356 176.094 -0.269 0.000 1.027 80 V CA -0.482 61.703 62.300 -0.192 0.000 0.823 80 V CB 1.380 33.087 31.823 -0.193 0.000 1.030 80 V HN 0.303 nan 8.190 nan 0.000 0.457 81 V N 4.330 124.059 119.914 -0.309 0.000 2.881 81 V HA 0.598 4.718 4.120 -0.000 0.000 0.316 81 V C -0.196 175.736 176.094 -0.269 0.000 1.070 81 V CA -0.392 61.642 62.300 -0.443 0.000 0.976 81 V CB 2.245 33.705 31.823 -0.605 0.000 1.038 81 V HN 0.951 nan 8.190 nan 0.000 0.446 82 E N 3.416 123.475 120.200 -0.235 0.000 2.256 82 E HA 0.584 4.934 4.350 -0.000 0.000 0.267 82 E C -1.657 174.922 176.600 -0.035 0.000 0.892 82 E CA -0.703 55.635 56.400 -0.103 0.000 0.775 82 E CB 2.042 31.704 29.700 -0.063 0.000 1.207 82 E HN 0.604 nan 8.360 nan 0.000 0.420 83 I N 3.862 124.447 120.570 0.024 0.000 2.447 83 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 83 I C 1.284 177.498 176.117 0.161 0.000 1.023 83 I CA -0.404 60.961 61.300 0.109 0.000 1.083 83 I CB 1.861 39.943 38.000 0.136 0.000 1.245 83 I HN 0.662 nan 8.210 nan 0.000 0.434 84 Q N 3.776 123.721 119.800 0.242 0.000 2.133 84 Q HA -0.136 4.204 4.340 -0.000 0.000 0.208 84 Q C -0.566 175.548 176.000 0.190 0.000 0.991 84 Q CA 1.929 57.906 55.803 0.290 0.000 0.867 84 Q CB 0.167 29.174 28.738 0.448 0.000 0.911 84 Q HN 0.450 nan 8.270 nan 0.000 0.417 85 F N -3.047 117.035 119.950 0.220 0.000 2.569 85 F HA 0.361 4.888 4.527 -0.000 0.000 0.312 85 F C 0.475 176.276 175.800 0.001 0.000 1.109 85 F CA -0.383 57.645 58.000 0.046 0.000 0.919 85 F CB 1.241 40.130 39.000 -0.186 0.000 1.211 85 F HN -0.172 nan 8.300 nan 0.000 0.446 86 A N 1.357 124.251 122.820 0.124 0.000 1.986 86 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 86 A C 1.600 179.288 177.584 0.173 0.000 1.171 86 A CA 2.393 54.505 52.037 0.125 0.000 0.640 86 A CB -0.799 18.230 19.000 0.049 0.000 0.811 86 A HN 0.872 nan 8.150 nan 0.000 0.451 87 D N -1.643 118.769 120.400 0.021 0.000 2.271 87 D HA -0.173 4.467 4.640 -0.000 0.000 0.207 87 D C 0.667 176.905 176.300 -0.104 0.000 0.983 87 D CA 1.354 55.284 54.000 -0.118 0.000 0.878 87 D CB -0.356 40.152 40.800 -0.487 0.000 0.920 87 D HN 0.792 nan 8.370 nan 0.000 0.479 88 Y N -0.733 119.708 120.300 0.234 0.000 2.636 88 Y HA 0.175 4.725 4.550 -0.000 0.000 0.260 88 Y C 1.124 177.090 175.900 0.111 0.000 1.177 88 Y CA -0.950 57.251 58.100 0.169 0.000 1.209 88 Y CB -0.194 38.356 38.460 0.149 0.000 1.166 88 Y HN -0.014 nan 8.280 nan 0.000 0.531 89 F N -1.993 117.995 119.950 0.063 0.000 2.325 89 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 89 F C 1.286 177.100 175.800 0.023 0.000 1.090 89 F CA 0.669 58.681 58.000 0.020 0.000 1.392 89 F CB -1.041 37.970 39.000 0.018 0.000 1.053 89 F HN -0.001 nan 8.300 nan 0.000 0.521 90 Y N 1.549 121.315 120.300 -0.890 0.000 2.102 90 Y HA -0.178 4.372 4.550 -0.000 0.000 0.280 90 Y C -0.271 175.456 175.900 -0.289 0.000 1.178 90 Y CA 1.971 59.564 58.100 -0.844 0.000 1.146 90 Y CB -2.525 35.597 38.460 -0.564 0.000 0.968 90 Y HN 0.144 nan 8.280 nan 0.000 0.504 91 P HA -0.161 nan 4.420 nan 0.000 0.223 91 P C 0.681 178.020 177.300 0.066 0.000 1.144 91 P CA 1.982 65.112 63.100 0.050 0.000 0.783 91 P CB -0.064 31.673 31.700 0.062 0.000 0.771 92 A N -1.636 121.239 122.820 0.092 0.000 2.423 92 A HA 0.183 4.503 4.320 -0.000 0.000 0.246 92 A C 2.167 179.866 177.584 0.191 0.000 1.278 92 A CA 0.203 52.326 52.037 0.143 0.000 0.903 92 A CB -0.864 18.240 19.000 0.174 0.000 0.997 92 A HN 0.031 nan 8.150 nan 0.000 0.510 93 S N 0.319 116.118 115.700 0.165 0.000 2.359 93 S HA -0.217 4.253 4.470 -0.000 0.000 0.224 93 S C 1.869 176.564 174.600 0.158 0.000 1.035 93 S CA 2.055 60.383 58.200 0.214 0.000 1.018 93 S CB -0.263 63.020 63.200 0.139 0.000 0.876 93 S HN 0.692 nan 8.310 nan 0.000 0.448 94 D N 0.345 120.810 120.400 0.109 0.000 2.097 94 D HA -0.089 4.551 4.640 -0.000 0.000 0.195 94 D C 2.242 178.595 176.300 0.089 0.000 0.989 94 D CA 1.152 55.203 54.000 0.085 0.000 0.827 94 D CB -0.220 40.617 40.800 0.063 0.000 0.966 94 D HN 0.298 nan 8.370 nan 0.000 0.456 95 Q N -0.197 119.660 119.800 0.096 0.000 2.124 95 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 95 Q C 2.574 178.636 176.000 0.103 0.000 0.977 95 Q CA 0.647 56.504 55.803 0.090 0.000 0.850 95 Q CB -0.062 28.729 28.738 0.088 0.000 0.901 95 Q HN 0.483 nan 8.270 nan 0.000 0.429 96 I N -0.430 120.226 120.570 0.142 0.000 2.193 96 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 96 I C 2.265 178.464 176.117 0.136 0.000 1.084 96 I CA 0.816 62.211 61.300 0.159 0.000 1.365 96 I CB -0.217 37.944 38.000 0.267 0.000 1.064 96 I HN -0.052 nan 8.210 nan 0.000 0.410 97 V N -0.417 119.578 119.914 0.134 0.000 2.302 97 V HA -0.160 3.960 4.120 -0.000 0.000 0.243 97 V C 2.280 178.421 176.094 0.078 0.000 1.036 97 V CA 1.870 64.230 62.300 0.100 0.000 1.020 97 V CB -0.466 31.408 31.823 0.086 0.000 0.657 97 V HN 0.307 nan 8.190 nan 0.000 0.453 98 S N -0.822 114.923 115.700 0.074 0.000 2.522 98 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 98 S C 1.592 176.230 174.600 0.063 0.000 0.986 98 S CA 0.753 58.990 58.200 0.063 0.000 0.929 98 S CB -0.019 63.214 63.200 0.055 0.000 0.769 98 S HN 0.601 nan 8.310 nan 0.000 0.529 99 E N -0.252 119.988 120.200 0.066 0.000 2.756 99 E HA 0.169 4.519 4.350 -0.000 0.000 0.192 99 E C 2.015 178.654 176.600 0.065 0.000 1.022 99 E CA 0.290 56.726 56.400 0.059 0.000 1.224 99 E CB -1.006 28.724 29.700 0.049 0.000 1.252 99 E HN 0.331 nan 8.360 nan 0.000 0.494 100 M N 1.219 120.860 119.600 0.067 0.000 2.117 100 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 100 M C 2.267 178.608 176.300 0.067 0.000 1.065 100 M CA 1.968 57.306 55.300 0.063 0.000 1.114 100 M CB -1.028 31.605 32.600 0.055 0.000 1.361 100 M HN 0.340 nan 8.290 nan 0.000 0.408 101 A N -0.990 121.873 122.820 0.071 0.000 2.067 101 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 101 A C 2.063 179.693 177.584 0.078 0.000 1.156 101 A CA 1.353 53.432 52.037 0.069 0.000 0.683 101 A CB -0.390 18.650 19.000 0.067 0.000 0.808 101 A HN 0.733 nan 8.150 nan 0.000 0.455 102 R N -0.753 119.803 120.500 0.092 0.000 2.397 102 R HA 0.329 4.669 4.340 -0.000 0.000 0.241 102 R C 1.496 177.893 176.300 0.161 0.000 0.914 102 R CA -0.304 55.875 56.100 0.132 0.000 1.071 102 R CB 0.030 30.406 30.300 0.126 0.000 1.116 102 R HN 0.348 nan 8.270 nan 0.000 0.524 103 L N 1.293 122.592 121.223 0.127 0.000 2.012 103 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 103 L C 2.420 179.386 176.870 0.159 0.000 1.073 103 L CA 1.912 56.830 54.840 0.129 0.000 0.748 103 L CB -0.372 41.753 42.059 0.111 0.000 0.891 103 L HN 0.237 nan 8.230 nan 0.000 0.431 104 R N -1.398 119.195 120.500 0.154 0.000 2.062 104 R HA -0.253 4.087 4.340 -0.000 0.000 0.231 104 R C 2.415 178.808 176.300 0.156 0.000 1.136 104 R CA 1.840 58.026 56.100 0.143 0.000 0.948 104 R CB -0.624 29.749 30.300 0.122 0.000 0.845 104 R HN 0.276 nan 8.270 nan 0.000 0.430 105 Y N 2.041 122.376 120.300 0.058 0.000 2.070 105 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 105 Y C 2.485 178.418 175.900 0.054 0.000 1.148 105 Y CA 2.515 60.645 58.100 0.051 0.000 1.125 105 Y CB -0.273 38.216 38.460 0.048 0.000 0.975 105 Y HN 0.129 nan 8.280 nan 0.000 0.492 106 R N -0.194 120.380 120.500 0.123 0.000 2.235 106 R HA -0.045 4.295 4.340 -0.000 0.000 0.213 106 R C 1.730 178.035 176.300 0.008 0.000 1.059 106 R CA 1.445 57.563 56.100 0.030 0.000 0.997 106 R CB -0.734 29.635 30.300 0.115 0.000 0.884 106 R HN 0.407 nan 8.270 nan 0.000 0.462 107 S N -0.375 115.358 115.700 0.056 0.000 2.540 107 S HA 0.344 4.814 4.470 -0.000 0.000 0.218 107 S C 0.947 175.559 174.600 0.020 0.000 0.977 107 S CA -0.002 58.255 58.200 0.096 0.000 0.918 107 S CB 0.689 64.040 63.200 0.252 0.000 0.806 107 S HN 0.535 nan 8.310 nan 0.000 0.496 108 A N 0.374 123.169 122.820 -0.042 0.000 2.745 108 A HA 0.125 4.445 4.320 -0.000 0.000 0.296 108 A C 1.676 179.240 177.584 -0.033 0.000 1.500 108 A CA 0.865 52.863 52.037 -0.066 0.000 0.766 108 A CB -2.281 16.671 19.000 -0.080 0.000 1.030 108 A HN 2.232 nan 8.150 nan 0.000 0.489 109 G N -2.007 106.791 108.800 -0.003 0.000 2.199 109 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.254 109 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.254 109 G C 0.719 175.577 174.900 -0.068 0.000 0.982 109 G CA 1.242 46.333 45.100 -0.014 0.000 0.632 109 G HN 0.894 nan 8.290 nan 0.000 0.529 110 E N -0.844 119.291 120.200 -0.109 0.000 2.058 110 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 110 E C 0.262 176.549 176.600 -0.520 0.000 0.997 110 E CA 0.962 57.166 56.400 -0.327 0.000 0.801 110 E CB 0.003 29.490 29.700 -0.357 0.000 0.746 110 E HN 0.560 nan 8.360 nan 0.000 0.450 111 F N 0.056 120.011 119.950 0.008 0.000 2.520 111 F HA 0.415 4.942 4.527 -0.000 0.000 0.322 111 F C 0.215 176.030 175.800 0.026 0.000 1.103 111 F CA -1.173 56.837 58.000 0.017 0.000 0.926 111 F CB 1.366 40.381 39.000 0.025 0.000 1.154 111 F HN -0.154 nan 8.300 nan 0.000 0.453 112 I N 0.134 120.827 120.570 0.205 0.000 2.957 112 I HA 0.960 5.130 4.170 -0.000 0.000 0.310 112 I C -0.838 175.355 176.117 0.125 0.000 1.063 112 I CA -1.208 60.171 61.300 0.131 0.000 1.033 112 I CB 2.347 40.391 38.000 0.075 0.000 1.230 112 I HN 0.578 nan 8.210 nan 0.000 0.447 113 A N 3.820 126.694 122.820 0.091 0.000 2.978 113 A HA 0.596 4.916 4.320 -0.000 0.000 0.341 113 A C -2.479 175.132 177.584 0.044 0.000 1.105 113 A CA -1.295 50.785 52.037 0.072 0.000 0.819 113 A CB -0.149 18.891 19.000 0.067 0.000 1.080 113 A HN 0.587 nan 8.150 nan 0.000 0.476 114 P HA 0.201 nan 4.420 nan 0.000 0.225 114 P C -0.324 176.974 177.300 -0.004 0.000 1.768 114 P CA 0.251 63.360 63.100 0.014 0.000 0.943 114 P CB -0.313 31.396 31.700 0.016 0.000 1.936 115 L N 0.022 121.240 121.223 -0.010 0.000 2.387 115 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 115 L C 0.502 177.333 176.870 -0.066 0.000 1.059 115 L CA -0.465 54.355 54.840 -0.034 0.000 0.801 115 L CB 0.975 43.019 42.059 -0.025 0.000 1.223 115 L HN -0.094 nan 8.230 nan 0.000 0.456 116 T N 2.427 116.922 114.554 -0.098 0.000 2.937 116 T HA 0.527 4.877 4.350 -0.000 0.000 0.297 116 T C -0.516 174.101 174.700 -0.138 0.000 0.991 116 T CA -0.468 61.560 62.100 -0.121 0.000 0.990 116 T CB 1.390 70.162 68.868 -0.160 0.000 0.991 116 T HN 0.302 nan 8.240 nan 0.000 0.440 117 L N 3.510 124.655 121.223 -0.131 0.000 2.294 117 L HA 0.562 4.902 4.340 -0.000 0.000 0.283 117 L C 0.370 177.183 176.870 -0.095 0.000 1.015 117 L CA -0.919 53.839 54.840 -0.138 0.000 0.831 117 L CB 1.146 43.109 42.059 -0.161 0.000 1.217 117 L HN 0.378 nan 8.230 nan 0.000 0.420 118 R N 3.257 123.718 120.500 -0.066 0.000 2.265 118 R HA 0.586 4.926 4.340 -0.000 0.000 0.314 118 R C -0.741 175.547 176.300 -0.020 0.000 1.053 118 R CA -0.346 55.768 56.100 0.022 0.000 0.931 118 R CB 1.519 31.831 30.300 0.019 0.000 1.024 118 R HN 0.383 nan 8.270 nan 0.000 0.457 119 M N 4.077 123.650 119.600 -0.045 0.000 2.151 119 M HA 0.311 4.791 4.480 -0.000 0.000 0.290 119 M C -2.458 173.780 176.300 -0.103 0.000 0.965 119 M CA -2.657 52.606 55.300 -0.061 0.000 0.930 119 M CB 1.613 34.163 32.600 -0.084 0.000 1.560 119 M HN 0.425 nan 8.290 nan 0.000 0.438 120 P HA 0.302 nan 4.420 nan 0.000 0.267 120 P C -0.482 176.677 177.300 -0.236 0.000 1.205 120 P CA -0.190 62.740 63.100 -0.282 0.000 0.765 120 P CB 0.285 31.721 31.700 -0.440 0.000 0.828 121 C N 1.135 120.290 119.300 -0.242 0.000 3.259 121 C HA 1.000 5.460 4.460 -0.000 0.000 0.328 121 C C 0.392 175.307 174.990 -0.126 0.000 1.425 121 C CA -0.040 58.902 59.018 -0.126 0.000 1.465 121 C CB 0.856 28.544 27.740 -0.087 0.000 1.890 121 C HN 0.941 nan 8.230 nan 0.000 0.450 122 G N -0.496 108.280 108.800 -0.040 0.000 2.712 122 G HA2 0.479 4.439 3.960 -0.000 0.000 0.686 122 G HA3 0.479 4.439 3.960 -0.000 0.000 0.686 122 G C -0.185 174.667 174.900 -0.079 0.000 1.321 122 G CA -0.033 45.068 45.100 0.002 0.000 0.813 122 G HN 2.205 nan 8.290 nan 0.000 0.599 123 G N -1.285 107.497 108.800 -0.031 0.000 2.890 123 G HA2 0.831 4.791 3.960 -0.000 0.000 0.189 123 G HA3 0.831 4.791 3.960 -0.000 0.000 0.189 123 G C 1.410 176.171 174.900 -0.231 0.000 1.342 123 G CA 0.916 45.856 45.100 -0.267 0.000 1.026 123 G HN 2.634 nan 8.290 nan 0.000 0.579 124 G N -1.222 107.368 108.800 -0.351 0.000 2.132 124 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.234 124 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.234 124 G C 0.600 175.168 174.900 -0.554 0.000 0.989 124 G CA 0.929 45.633 45.100 -0.660 0.000 0.676 124 G HN 1.695 nan 8.290 nan 0.000 0.522 125 I N -5.385 114.932 120.570 -0.422 0.000 3.813 125 I HA 0.522 4.692 4.170 -0.000 0.000 0.323 125 I C 0.832 176.934 176.117 -0.025 0.000 1.536 125 I CA -0.993 60.195 61.300 -0.186 0.000 1.083 125 I CB 0.015 37.978 38.000 -0.062 0.000 1.265 125 I HN 0.135 nan 8.210 nan 0.000 0.507 126 Y N 1.378 121.583 120.300 -0.158 0.000 3.305 126 Y HA -0.260 4.290 4.550 -0.000 0.000 0.212 126 Y C 1.853 177.788 175.900 0.059 0.000 1.248 126 Y CA 0.413 58.473 58.100 -0.066 0.000 1.359 126 Y CB -1.641 36.815 38.460 -0.007 0.000 1.407 126 Y HN 0.547 nan 8.280 nan 0.000 0.572 127 G N -0.299 108.519 108.800 0.030 0.000 2.408 127 G HA2 0.323 4.283 3.960 -0.000 0.000 0.215 127 G HA3 0.323 4.283 3.960 -0.000 0.000 0.215 127 G C 1.223 176.104 174.900 -0.032 0.000 1.156 127 G CA 0.654 45.760 45.100 0.010 0.000 0.793 127 G HN 1.323 nan 8.290 nan 0.000 0.535 128 G N -0.339 108.466 108.800 0.009 0.000 2.584 128 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.229 128 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.229 128 G C 0.693 175.602 174.900 0.016 0.000 1.320 128 G CA 0.455 45.595 45.100 0.067 0.000 0.891 128 G HN 0.363 nan 8.290 nan 0.000 0.573 129 Q N -0.630 119.192 119.800 0.036 0.000 2.119 129 Q HA 0.022 4.362 4.340 -0.000 0.000 0.201 129 Q C 2.529 178.544 176.000 0.025 0.000 0.972 129 Q CA 2.188 58.019 55.803 0.046 0.000 0.847 129 Q CB -0.099 28.662 28.738 0.039 0.000 0.903 129 Q HN 0.920 nan 8.270 nan 0.000 0.433 130 T N -4.079 110.495 114.554 0.033 0.000 3.174 130 T HA 0.162 4.512 4.350 -0.000 0.000 0.269 130 T C 0.498 175.119 174.700 -0.131 0.000 1.017 130 T CA -0.333 61.756 62.100 -0.019 0.000 0.899 130 T CB 0.115 69.062 68.868 0.131 0.000 1.077 130 T HN 0.273 nan 8.240 nan 0.000 0.552 131 H N 0.429 119.343 119.070 -0.261 0.000 3.230 131 H HA 0.286 4.842 4.556 -0.000 0.000 0.259 131 H C 0.877 176.204 175.328 -0.001 0.000 1.195 131 H CA 0.294 56.198 56.048 -0.241 0.000 1.112 131 H CB 1.081 30.709 29.762 -0.223 0.000 1.638 131 H HN 0.535 nan 8.280 nan 0.000 0.624 132 S N -0.402 115.263 115.700 -0.058 0.000 2.874 132 S HA -0.003 4.466 4.470 -0.000 0.000 0.257 132 S C 0.336 174.813 174.600 -0.205 0.000 0.975 132 S CA -0.665 57.388 58.200 -0.245 0.000 1.326 132 S CB 0.305 63.080 63.200 -0.709 0.000 1.215 132 S HN 0.335 nan 8.310 nan 0.000 0.679 133 Q N 1.189 120.969 119.800 -0.034 0.000 2.368 133 Q HA 0.628 4.968 4.340 -0.000 0.000 0.237 133 Q C -0.973 175.095 176.000 0.113 0.000 0.987 133 Q CA -0.311 55.551 55.803 0.099 0.000 0.896 133 Q CB 0.587 29.419 28.738 0.158 0.000 1.241 133 Q HN 0.122 nan 8.270 nan 0.000 0.485 134 S N 2.677 118.472 115.700 0.158 0.000 2.577 134 S HA 0.294 4.764 4.470 -0.000 0.000 0.294 134 S C -2.222 172.440 174.600 0.103 0.000 1.161 134 S CA -1.022 57.251 58.200 0.121 0.000 1.143 134 S CB 1.174 64.466 63.200 0.153 0.000 0.991 134 S HN 0.551 nan 8.310 nan 0.000 0.475 135 P HA 0.150 nan 4.420 nan 0.000 0.248 135 P C 1.056 178.329 177.300 -0.045 0.000 1.708 135 P CA -0.223 62.898 63.100 0.035 0.000 1.062 135 P CB 0.268 32.001 31.700 0.053 0.000 1.562 136 E N 0.748 120.937 120.200 -0.018 0.000 2.153 136 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 136 E C 1.394 177.936 176.600 -0.098 0.000 0.988 136 E CA 1.473 57.840 56.400 -0.055 0.000 0.811 136 E CB -0.934 28.629 29.700 -0.228 0.000 0.746 136 E HN 0.213 nan 8.360 nan 0.000 0.466 137 A N 0.792 123.562 122.820 -0.082 0.000 2.119 137 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 137 A C 2.324 179.826 177.584 -0.137 0.000 1.153 137 A CA 1.206 53.210 52.037 -0.055 0.000 0.692 137 A CB -0.484 18.520 19.000 0.007 0.000 0.799 137 A HN 0.245 nan 8.150 nan 0.000 0.458 138 M N -1.503 117.927 119.600 -0.284 0.000 2.659 138 M HA 0.204 4.684 4.480 -0.000 0.000 0.243 138 M C 1.243 177.063 176.300 -0.801 0.000 1.111 138 M CA 0.729 55.733 55.300 -0.494 0.000 1.070 138 M CB -1.491 30.799 32.600 -0.518 0.000 1.525 138 M HN 0.699 nan 8.290 nan 0.000 0.517 139 F N -1.411 118.423 119.950 -0.193 0.000 2.581 139 F HA 0.052 4.579 4.527 -0.000 0.000 0.278 139 F C 2.567 178.281 175.800 -0.144 0.000 1.000 139 F CA 0.804 58.687 58.000 -0.194 0.000 1.230 139 F CB -0.746 38.090 39.000 -0.272 0.000 1.008 139 F HN 0.266 nan 8.300 nan 0.000 0.695 140 T N -0.691 113.859 114.554 -0.007 0.000 2.803 140 T HA -0.289 4.061 4.350 -0.000 0.000 0.269 140 T C 1.637 176.247 174.700 -0.150 0.000 1.052 140 T CA 1.620 63.678 62.100 -0.070 0.000 1.136 140 T CB -0.755 68.031 68.868 -0.135 0.000 0.864 140 T HN 0.530 nan 8.240 nan 0.000 0.467 141 Q N 1.146 120.873 119.800 -0.121 0.000 2.482 141 Q HA 0.147 4.487 4.340 -0.000 0.000 0.209 141 Q C 0.067 176.018 176.000 -0.081 0.000 0.961 141 Q CA 0.159 55.881 55.803 -0.135 0.000 0.945 141 Q CB -0.259 28.418 28.738 -0.103 0.000 1.012 141 Q HN 0.418 nan 8.270 nan 0.000 0.515 142 V N 2.230 122.126 119.914 -0.030 0.000 2.368 142 V HA 0.096 4.216 4.120 -0.000 0.000 0.266 142 V C 0.082 176.195 176.094 0.032 0.000 1.045 142 V CA -1.023 61.283 62.300 0.011 0.000 0.899 142 V CB 0.612 32.470 31.823 0.058 0.000 1.006 142 V HN 0.347 nan 8.190 nan 0.000 0.470 143 C N 5.160 124.465 119.300 0.008 0.000 2.657 143 C HA 0.531 4.991 4.460 -0.000 0.000 0.404 143 C C 1.591 176.591 174.990 0.017 0.000 1.369 143 C CA 0.863 59.890 59.018 0.014 0.000 1.665 143 C CB -0.995 26.717 27.740 -0.046 0.000 2.453 143 C HN 1.287 nan 8.230 nan 0.000 0.599 144 G N 2.920 111.752 108.800 0.052 0.000 2.284 144 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.201 144 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.201 144 G C -0.066 174.870 174.900 0.060 0.000 0.998 144 G CA -0.435 44.694 45.100 0.048 0.000 0.651 144 G HN 0.585 nan 8.290 nan 0.000 0.489 145 L N 0.188 121.458 121.223 0.078 0.000 2.387 145 L HA 0.788 5.128 4.340 -0.000 0.000 0.266 145 L C 0.720 177.627 176.870 0.062 0.000 1.059 145 L CA -1.020 53.855 54.840 0.059 0.000 0.801 145 L CB 1.537 43.637 42.059 0.069 0.000 1.223 145 L HN 0.152 nan 8.230 nan 0.000 0.456 146 R N -0.062 120.439 120.500 0.001 0.000 2.502 146 R HA 0.429 4.769 4.340 -0.000 0.000 0.300 146 R C -1.498 174.751 176.300 -0.085 0.000 0.984 146 R CA -0.373 55.710 56.100 -0.028 0.000 0.882 146 R CB 1.819 32.092 30.300 -0.047 0.000 1.180 146 R HN 0.590 nan 8.270 nan 0.000 0.444 147 T N 3.342 117.833 114.554 -0.105 0.000 2.779 147 T HA 0.473 4.823 4.350 -0.000 0.000 0.280 147 T C -0.836 173.711 174.700 -0.254 0.000 0.987 147 T CA -0.486 61.487 62.100 -0.211 0.000 0.966 147 T CB 1.539 70.264 68.868 -0.240 0.000 0.933 147 T HN 0.195 nan 8.240 nan 0.000 0.442 148 V N 3.115 122.849 119.914 -0.300 0.000 2.760 148 V HA 0.785 4.905 4.120 -0.000 0.000 0.309 148 V C -0.530 175.244 176.094 -0.534 0.000 1.077 148 V CA -0.870 61.231 62.300 -0.332 0.000 0.910 148 V CB 2.148 33.859 31.823 -0.187 0.000 1.008 148 V HN 0.810 nan 8.190 nan 0.000 0.424 149 M N 6.956 126.281 119.600 -0.459 0.000 2.149 149 M HA 0.622 5.102 4.480 -0.000 0.000 0.273 149 M C -3.033 173.103 176.300 -0.274 0.000 0.972 149 M CA -1.537 53.492 55.300 -0.451 0.000 0.984 149 M CB 1.938 34.348 32.600 -0.317 0.000 1.699 149 M HN 0.701 nan 8.290 nan 0.000 0.462 150 P HA 0.487 nan 4.420 nan 0.000 0.276 150 P C -0.029 177.272 177.300 0.002 0.000 1.261 150 P CA -0.110 62.931 63.100 -0.099 0.000 0.800 150 P CB 1.148 32.814 31.700 -0.057 0.000 1.066 151 S N -1.538 114.211 115.700 0.081 0.000 2.847 151 S HA 0.223 4.693 4.470 -0.000 0.000 0.254 151 S C 0.042 174.829 174.600 0.312 0.000 1.039 151 S CA -0.378 57.959 58.200 0.228 0.000 1.113 151 S CB -0.892 62.476 63.200 0.280 0.000 1.092 151 S HN 0.708 nan 8.310 nan 0.000 0.620 152 N N -0.929 117.821 118.700 0.084 0.000 2.859 152 N HA 0.478 5.218 4.740 -0.000 0.000 0.250 152 N C -3.139 172.198 175.510 -0.287 0.000 1.341 152 N CA -1.478 51.461 53.050 -0.186 0.000 0.881 152 N CB 0.611 39.088 38.487 -0.018 0.000 1.516 152 N HN -0.299 nan 8.380 nan 0.000 0.503 153 P HA -0.208 nan 4.420 nan 0.000 0.215 153 P C 0.848 178.105 177.300 -0.073 0.000 1.163 153 P CA 1.472 64.367 63.100 -0.342 0.000 0.894 153 P CB -0.133 31.295 31.700 -0.453 0.000 0.791 154 Y N 0.946 121.196 120.300 -0.083 0.000 2.053 154 Y HA -0.273 4.277 4.550 -0.000 0.000 0.277 154 Y C 1.910 177.863 175.900 0.089 0.000 1.159 154 Y CA 2.055 60.189 58.100 0.057 0.000 1.125 154 Y CB -0.935 37.559 38.460 0.056 0.000 0.969 154 Y HN -0.103 nan 8.280 nan 0.000 0.492 155 D N -0.024 120.501 120.400 0.208 0.000 2.144 155 D HA -0.187 4.453 4.640 -0.000 0.000 0.199 155 D C 2.249 178.565 176.300 0.028 0.000 0.984 155 D CA 1.400 55.467 54.000 0.112 0.000 0.834 155 D CB -0.638 40.202 40.800 0.067 0.000 0.955 155 D HN 0.498 nan 8.370 nan 0.000 0.465 156 A N 0.743 123.573 122.820 0.016 0.000 1.883 156 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 156 A C 2.075 179.665 177.584 0.010 0.000 1.186 156 A CA 2.064 54.141 52.037 0.067 0.000 0.624 156 A CB -0.530 18.490 19.000 0.033 0.000 0.822 156 A HN 0.215 nan 8.150 nan 0.000 0.444 157 K N -0.928 119.404 120.400 -0.114 0.000 2.007 157 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 157 K C 2.119 178.439 176.600 -0.468 0.000 1.047 157 K CA 1.324 57.456 56.287 -0.259 0.000 0.937 157 K CB -0.659 31.703 32.500 -0.230 0.000 0.718 157 K HN 0.331 nan 8.250 nan 0.000 0.438 158 G N 1.565 110.005 108.800 -0.599 0.000 2.476 158 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 158 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 158 G C 1.489 176.182 174.900 -0.344 0.000 1.164 158 G CA 1.120 45.798 45.100 -0.703 0.000 0.768 158 G HN 0.263 nan 8.290 nan 0.000 0.560 159 L N -0.560 120.583 121.223 -0.134 0.000 2.217 159 L HA 0.079 4.419 4.340 -0.000 0.000 0.211 159 L C 2.627 179.504 176.870 0.010 0.000 1.107 159 L CA 0.085 54.934 54.840 0.015 0.000 0.783 159 L CB -0.228 41.917 42.059 0.145 0.000 0.919 159 L HN 0.202 nan 8.230 nan 0.000 0.442 160 L N 0.041 121.154 121.223 -0.183 0.000 2.044 160 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 160 L C 2.283 178.905 176.870 -0.413 0.000 1.075 160 L CA 1.638 56.108 54.840 -0.616 0.000 0.747 160 L CB -0.284 41.316 42.059 -0.766 0.000 0.903 160 L HN 0.071 nan 8.230 nan 0.000 0.435 161 I N -0.403 119.965 120.570 -0.337 0.000 2.208 161 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 161 I C 2.565 178.579 176.117 -0.172 0.000 1.097 161 I CA 1.256 62.407 61.300 -0.248 0.000 1.363 161 I CB -0.679 37.127 38.000 -0.324 0.000 1.051 161 I HN 0.352 nan 8.210 nan 0.000 0.413 162 A N 0.112 122.821 122.820 -0.185 0.000 1.877 162 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 162 A C 2.498 180.033 177.584 -0.081 0.000 1.186 162 A CA 2.281 54.254 52.037 -0.107 0.000 0.620 162 A CB -0.737 18.206 19.000 -0.095 0.000 0.822 162 A HN 0.391 nan 8.150 nan 0.000 0.443 163 S N -0.251 115.392 115.700 -0.096 0.000 2.368 163 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 163 S C 1.807 176.343 174.600 -0.107 0.000 1.029 163 S CA 1.393 59.548 58.200 -0.075 0.000 0.988 163 S CB -0.490 62.688 63.200 -0.038 0.000 0.838 163 S HN 0.529 nan 8.310 nan 0.000 0.462 164 I N 1.568 122.042 120.570 -0.160 0.000 2.208 164 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 164 I C 2.467 178.533 176.117 -0.085 0.000 1.097 164 I CA 1.335 62.551 61.300 -0.140 0.000 1.363 164 I CB -0.332 37.565 38.000 -0.171 0.000 1.051 164 I HN 0.343 nan 8.210 nan 0.000 0.413 165 E N -0.253 119.908 120.200 -0.064 0.000 2.158 165 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 165 E C 1.127 177.710 176.600 -0.028 0.000 0.982 165 E CA 0.214 56.594 56.400 -0.034 0.000 0.823 165 E CB -0.021 29.679 29.700 -0.001 0.000 0.766 165 E HN 0.458 nan 8.360 nan 0.000 0.468 166 C N 2.467 121.747 119.300 -0.033 0.000 2.611 166 C HA -0.061 4.399 4.460 -0.000 0.000 0.416 166 C C 1.150 176.127 174.990 -0.021 0.000 1.366 166 C CA -0.304 58.698 59.018 -0.026 0.000 1.761 166 C CB -0.193 27.529 27.740 -0.031 0.000 2.619 166 C HN 0.303 nan 8.230 nan 0.000 0.606 167 D N 2.121 122.514 120.400 -0.011 0.000 2.349 167 D HA 0.108 4.748 4.640 -0.000 0.000 0.224 167 D C 0.265 176.569 176.300 0.006 0.000 1.029 167 D CA 0.845 54.844 54.000 -0.002 0.000 0.879 167 D CB 0.009 40.811 40.800 0.003 0.000 0.906 167 D HN 0.681 nan 8.370 nan 0.000 0.528 168 D N 0.666 121.065 120.400 -0.001 0.000 2.193 168 D HA 0.237 4.877 4.640 -0.000 0.000 0.249 168 D C -2.377 173.919 176.300 -0.006 0.000 1.034 168 D CA -1.767 52.235 54.000 0.004 0.000 0.902 168 D CB 1.255 42.054 40.800 -0.001 0.000 1.182 168 D HN -0.102 nan 8.370 nan 0.000 0.436 169 P HA 0.044 nan 4.420 nan 0.000 0.268 169 P C -0.606 176.671 177.300 -0.038 0.000 1.204 169 P CA -0.078 63.013 63.100 -0.016 0.000 0.768 169 P CB 0.626 32.327 31.700 0.001 0.000 0.842 170 V N 5.401 125.279 119.914 -0.061 0.000 2.483 170 V HA 0.256 4.376 4.120 -0.000 0.000 0.297 170 V C 0.105 176.127 176.094 -0.121 0.000 1.027 170 V CA -0.692 61.565 62.300 -0.072 0.000 0.855 170 V CB 1.785 33.589 31.823 -0.032 0.000 0.995 170 V HN 0.375 nan 8.190 nan 0.000 0.424 171 I N 5.030 125.471 120.570 -0.216 0.000 2.363 171 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 171 I C -0.300 175.671 176.117 -0.243 0.000 1.075 171 I CA 0.168 61.243 61.300 -0.375 0.000 1.333 171 I CB 0.153 37.700 38.000 -0.754 0.000 1.415 171 I HN 0.533 nan 8.210 nan 0.000 0.502 172 F N 7.938 127.706 119.950 -0.304 0.000 2.303 172 F HA 0.421 4.948 4.527 -0.000 0.000 0.368 172 F C -0.121 175.542 175.800 -0.229 0.000 1.105 172 F CA -0.585 57.274 58.000 -0.235 0.000 1.153 172 F CB 0.528 39.417 39.000 -0.186 0.000 1.362 172 F HN 0.239 nan 8.300 nan 0.000 0.511 173 L N 5.680 126.604 121.223 -0.499 0.000 2.290 173 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 173 L C -0.360 176.255 176.870 -0.425 0.000 1.078 173 L CA -0.236 54.376 54.840 -0.380 0.000 0.815 173 L CB 0.845 42.706 42.059 -0.330 0.000 1.162 173 L HN 0.495 nan 8.230 nan 0.000 0.435 174 E N 4.888 124.929 120.200 -0.266 0.000 2.155 174 E HA 0.306 4.656 4.350 -0.000 0.000 0.264 174 E C -2.459 173.911 176.600 -0.382 0.000 0.886 174 E CA -2.057 54.191 56.400 -0.255 0.000 0.752 174 E CB 1.491 31.154 29.700 -0.061 0.000 1.133 174 E HN 0.299 nan 8.360 nan 0.000 0.414 175 P HA -0.006 nan 4.420 nan 0.000 0.274 175 P C 0.192 177.125 177.300 -0.612 0.000 1.291 175 P CA -0.185 62.721 63.100 -0.323 0.000 0.815 175 P CB 0.402 32.034 31.700 -0.113 0.000 0.897 176 K N 3.533 123.456 120.400 -0.794 0.000 2.280 176 K HA -0.179 4.141 4.320 -0.000 0.000 0.202 176 K C 1.712 178.002 176.600 -0.518 0.000 1.047 176 K CA 0.822 56.428 56.287 -1.135 0.000 0.942 176 K CB -0.235 31.757 32.500 -0.846 0.000 0.739 176 K HN 0.009 nan 8.250 nan 0.000 0.457 177 R N 1.621 121.921 120.500 -0.334 0.000 2.152 177 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 177 R C 1.585 177.788 176.300 -0.162 0.000 1.117 177 R CA 1.182 57.122 56.100 -0.266 0.000 0.981 177 R CB -0.308 29.825 30.300 -0.279 0.000 0.870 177 R HN 0.367 nan 8.270 nan 0.000 0.451 178 L N -0.441 120.722 121.223 -0.101 0.000 2.628 178 L HA 0.106 4.446 4.340 -0.000 0.000 0.229 178 L C 1.166 178.226 176.870 0.317 0.000 1.137 178 L CA -0.115 54.782 54.840 0.095 0.000 0.909 178 L CB -0.262 41.908 42.059 0.185 0.000 1.137 178 L HN 0.236 nan 8.230 nan 0.000 0.470 179 Y N 0.851 121.218 120.300 0.112 0.000 2.097 179 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 179 Y C 2.294 178.373 175.900 0.298 0.000 1.152 179 Y CA 0.990 59.173 58.100 0.138 0.000 1.136 179 Y CB 0.234 38.690 38.460 -0.007 0.000 0.975 179 Y HN 0.358 nan 8.280 nan 0.000 0.498 180 N N -0.885 118.031 118.700 0.361 0.000 2.405 180 N HA 0.135 4.875 4.740 -0.000 0.000 0.175 180 N C 0.422 175.923 175.510 -0.014 0.000 1.051 180 N CA 0.930 54.130 53.050 0.250 0.000 0.899 180 N CB 1.181 39.755 38.487 0.145 0.000 1.000 180 N HN 0.296 nan 8.380 nan 0.000 0.451 181 G N 0.601 109.147 108.800 -0.425 0.000 2.523 181 G HA2 0.308 4.268 3.960 -0.000 0.000 0.291 181 G HA3 0.308 4.268 3.960 -0.000 0.000 0.291 181 G C -3.243 170.864 174.900 -1.322 0.000 1.450 181 G CA -0.732 43.540 45.100 -1.380 0.000 0.790 181 G HN -0.248 nan 8.290 nan 0.000 0.496 182 P HA 0.444 nan 4.420 nan 0.000 0.272 182 P C -1.368 175.568 177.300 -0.606 0.000 1.223 182 P CA -0.140 62.187 63.100 -1.288 0.000 0.784 182 P CB 1.157 31.944 31.700 -1.522 0.000 0.923 183 F N 2.627 122.256 119.950 -0.535 0.000 2.617 183 F HA 0.229 4.756 4.527 -0.000 0.000 0.325 183 F C 0.307 176.060 175.800 -0.078 0.000 1.179 183 F CA -0.772 57.081 58.000 -0.244 0.000 0.965 183 F CB 1.287 40.188 39.000 -0.165 0.000 1.232 183 F HN 0.164 nan 8.300 nan 0.000 0.461 184 D N 2.272 122.350 120.400 -0.538 0.000 2.350 184 D HA 0.253 4.893 4.640 -0.000 0.000 0.213 184 D C 1.619 177.628 176.300 -0.485 0.000 1.031 184 D CA 0.843 54.651 54.000 -0.320 0.000 0.861 184 D CB 0.437 41.123 40.800 -0.190 0.000 0.926 184 D HN 0.916 nan 8.370 nan 0.000 0.520 185 G N -0.281 107.874 108.800 -1.075 0.000 2.201 185 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.212 185 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.212 185 G C -0.189 174.382 174.900 -0.548 0.000 0.994 185 G CA -0.372 44.387 45.100 -0.569 0.000 0.644 185 G HN 0.449 nan 8.290 nan 0.000 0.508 186 H N 1.932 120.666 119.070 -0.559 0.000 3.004 186 H HA 0.293 4.849 4.556 -0.000 0.000 0.267 186 H C 1.713 176.756 175.328 -0.474 0.000 1.165 186 H CA 0.486 56.263 56.048 -0.453 0.000 1.450 186 H CB 0.362 29.918 29.762 -0.343 0.000 1.488 186 H HN 0.631 nan 8.280 nan 0.000 0.478 187 H N 1.336 120.123 119.070 -0.473 0.000 2.512 187 H HA -0.033 4.523 4.556 -0.000 0.000 0.279 187 H C 0.519 175.728 175.328 -0.198 0.000 0.999 187 H CA 0.150 55.954 56.048 -0.406 0.000 1.283 187 H CB 0.281 29.474 29.762 -0.949 0.000 1.421 187 H HN 0.438 nan 8.280 nan 0.000 0.554 188 D N 1.963 122.036 120.400 -0.546 0.000 2.104 188 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 188 D C 0.728 176.926 176.300 -0.169 0.000 0.994 188 D CA 0.884 54.692 54.000 -0.320 0.000 0.830 188 D CB 0.057 40.640 40.800 -0.361 0.000 0.959 188 D HN 0.316 nan 8.370 nan 0.000 0.452 189 R N 2.222 122.620 120.500 -0.170 0.000 2.242 189 R HA 0.318 4.658 4.340 -0.000 0.000 0.334 189 R C -2.372 173.904 176.300 -0.039 0.000 1.071 189 R CA -1.745 54.294 56.100 -0.103 0.000 0.922 189 R CB -0.432 29.797 30.300 -0.118 0.000 1.023 189 R HN 0.024 nan 8.270 nan 0.000 0.458 190 P HA -0.039 nan 4.420 nan 0.000 0.265 190 P C -0.119 177.204 177.300 0.037 0.000 1.187 190 P CA -0.063 63.058 63.100 0.035 0.000 0.766 190 P CB 0.476 32.196 31.700 0.032 0.000 0.820 191 V N 3.092 123.047 119.914 0.067 0.000 2.583 191 V HA 0.195 4.315 4.120 -0.000 0.000 0.287 191 V C 0.882 176.989 176.094 0.021 0.000 1.051 191 V CA -0.113 62.217 62.300 0.050 0.000 1.010 191 V CB 0.762 32.651 31.823 0.110 0.000 0.988 191 V HN 0.686 nan 8.190 nan 0.000 0.478 192 T N 4.078 118.638 114.554 0.009 0.000 2.922 192 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 192 T C -2.487 172.200 174.700 -0.022 0.000 1.005 192 T CA -1.768 60.359 62.100 0.046 0.000 1.061 192 T CB 1.479 70.456 68.868 0.181 0.000 1.007 192 T HN 0.470 nan 8.240 nan 0.000 0.502 193 P HA 0.239 nan 4.420 nan 0.000 0.275 193 P C 0.005 177.337 177.300 0.053 0.000 1.266 193 P CA -0.737 62.367 63.100 0.007 0.000 0.793 193 P CB 0.600 32.350 31.700 0.084 0.000 1.074 194 W N -0.030 121.357 121.300 0.144 0.000 2.402 194 W HA -0.162 4.498 4.660 -0.000 0.000 0.286 194 W C 2.515 179.135 176.519 0.169 0.000 1.221 194 W CA 1.623 59.067 57.345 0.164 0.000 1.257 194 W CB -0.864 28.671 29.460 0.124 0.000 1.120 194 W HN 0.333 nan 8.180 nan 0.000 0.551 195 S N 0.349 116.252 115.700 0.338 0.000 2.440 195 S HA -0.219 4.251 4.470 -0.000 0.000 0.240 195 S C 1.343 176.027 174.600 0.139 0.000 1.014 195 S CA 1.291 59.617 58.200 0.210 0.000 0.980 195 S CB -0.436 62.848 63.200 0.141 0.000 0.775 195 S HN 0.338 nan 8.310 nan 0.000 0.499 196 K N 0.517 120.981 120.400 0.107 0.000 2.410 196 K HA 0.225 4.545 4.320 -0.000 0.000 0.200 196 K C -0.142 176.310 176.600 -0.248 0.000 1.023 196 K CA 0.032 56.272 56.287 -0.079 0.000 1.149 196 K CB 0.188 32.594 32.500 -0.157 0.000 0.859 196 K HN 0.519 nan 8.250 nan 0.000 0.514 197 H N -0.138 119.021 119.070 0.149 0.000 2.821 197 H HA 0.281 4.837 4.556 -0.000 0.000 0.373 197 H C -2.631 172.826 175.328 0.216 0.000 1.165 197 H CA -2.376 53.784 56.048 0.186 0.000 1.154 197 H CB 1.925 31.810 29.762 0.205 0.000 1.765 197 H HN -0.171 nan 8.280 nan 0.000 0.549 198 P HA 0.099 nan 4.420 nan 0.000 0.271 198 P C -0.377 176.947 177.300 0.040 0.000 1.216 198 P CA 0.407 63.509 63.100 0.003 0.000 0.776 198 P CB 0.388 31.992 31.700 -0.159 0.000 0.881 199 H N -0.311 118.851 119.070 0.153 0.000 3.071 199 H HA -0.095 4.461 4.556 -0.000 0.000 0.243 199 H C 0.593 175.961 175.328 0.065 0.000 1.221 199 H CA 1.027 57.131 56.048 0.093 0.000 1.109 199 H CB -2.177 27.646 29.762 0.102 0.000 1.236 199 H HN 0.534 nan 8.280 nan 0.000 0.332 200 S N -1.137 114.676 115.700 0.187 0.000 2.535 200 S HA 0.473 4.943 4.470 -0.000 0.000 0.214 200 S C 1.313 175.978 174.600 0.108 0.000 0.980 200 S CA 0.151 58.431 58.200 0.132 0.000 0.907 200 S CB 0.725 64.076 63.200 0.252 0.000 0.790 200 S HN 0.596 nan 8.310 nan 0.000 0.510 201 A N 2.238 125.126 122.820 0.113 0.000 2.666 201 A HA 0.574 4.894 4.320 -0.000 0.000 0.301 201 A C -0.100 177.568 177.584 0.140 0.000 1.470 201 A CA -0.383 51.709 52.037 0.092 0.000 1.159 201 A CB -0.411 18.620 19.000 0.051 0.000 1.116 201 A HN 0.325 nan 8.150 nan 0.000 0.548 202 V N 5.513 125.487 119.914 0.100 0.000 2.394 202 V HA 0.265 4.385 4.120 -0.000 0.000 0.282 202 V C -2.236 173.874 176.094 0.026 0.000 1.031 202 V CA -1.812 60.538 62.300 0.084 0.000 0.881 202 V CB 1.440 33.301 31.823 0.063 0.000 0.982 202 V HN 0.641 nan 8.190 nan 0.000 0.451 203 P HA 0.083 nan 4.420 nan 0.000 0.265 203 P C 0.197 177.526 177.300 0.049 0.000 1.193 203 P CA 0.102 63.163 63.100 -0.064 0.000 0.765 203 P CB 0.657 32.189 31.700 -0.279 0.000 0.823 204 D N 1.811 122.238 120.400 0.046 0.000 2.117 204 D HA -0.060 4.580 4.640 -0.000 0.000 0.198 204 D C 1.519 177.870 176.300 0.086 0.000 0.982 204 D CA 1.365 55.400 54.000 0.059 0.000 0.828 204 D CB -0.343 40.483 40.800 0.043 0.000 0.967 204 D HN 0.470 nan 8.370 nan 0.000 0.464 205 G N -1.051 107.812 108.800 0.104 0.000 2.582 205 G HA2 0.212 4.172 3.960 -0.000 0.000 0.232 205 G HA3 0.212 4.172 3.960 -0.000 0.000 0.232 205 G C -0.857 174.164 174.900 0.201 0.000 1.458 205 G CA -0.480 44.703 45.100 0.137 0.000 1.062 205 G HN 0.143 nan 8.290 nan 0.000 0.566 206 Y N 0.601 120.950 120.300 0.082 0.000 2.304 206 Y HA 0.540 5.090 4.550 -0.000 0.000 0.328 206 Y C -0.469 175.524 175.900 0.155 0.000 1.123 206 Y CA -0.789 57.343 58.100 0.052 0.000 1.218 206 Y CB 0.555 39.019 38.460 0.006 0.000 1.207 206 Y HN 0.633 nan 8.280 nan 0.000 0.495 207 Y N 2.039 121.809 120.300 -0.883 0.000 2.702 207 Y HA 0.612 5.162 4.550 -0.000 0.000 0.336 207 Y C -1.470 173.990 175.900 -0.734 0.000 1.203 207 Y CA -0.770 56.868 58.100 -0.769 0.000 1.072 207 Y CB 0.643 38.892 38.460 -0.351 0.000 1.327 207 Y HN 0.706 nan 8.280 nan 0.000 0.456 208 T N -0.638 113.638 114.554 -0.464 0.000 2.907 208 T HA 0.818 5.168 4.350 -0.000 0.000 0.290 208 T C -1.640 172.987 174.700 -0.121 0.000 1.066 208 T CA -0.931 60.932 62.100 -0.395 0.000 1.012 208 T CB 1.684 70.409 68.868 -0.239 0.000 1.184 208 T HN 0.817 nan 8.240 nan 0.000 0.522 209 V N 3.133 122.978 119.914 -0.115 0.000 2.443 209 V HA 0.466 4.586 4.120 -0.000 0.000 0.293 209 V C -2.274 173.812 176.094 -0.013 0.000 1.021 209 V CA -1.985 60.321 62.300 0.010 0.000 0.848 209 V CB 1.543 33.395 31.823 0.047 0.000 0.998 209 V HN 0.868 nan 8.190 nan 0.000 0.424 210 P HA 0.094 nan 4.420 nan 0.000 0.265 210 P C -0.192 177.098 177.300 -0.017 0.000 1.187 210 P CA 0.133 63.228 63.100 -0.009 0.000 0.766 210 P CB 0.878 32.580 31.700 0.002 0.000 0.820 211 L N 2.097 123.302 121.223 -0.029 0.000 2.475 211 L HA 0.089 4.429 4.340 -0.000 0.000 0.250 211 L C 1.121 177.960 176.870 -0.052 0.000 1.224 211 L CA 0.006 54.820 54.840 -0.043 0.000 0.821 211 L CB -0.304 41.724 42.059 -0.051 0.000 1.141 211 L HN 0.420 nan 8.230 nan 0.000 0.494 212 D N -0.493 119.862 120.400 -0.075 0.000 3.039 212 D HA -0.181 4.459 4.640 -0.000 0.000 0.222 212 D C -0.285 175.984 176.300 -0.051 0.000 1.179 212 D CA 1.293 55.241 54.000 -0.087 0.000 0.880 212 D CB -0.815 39.926 40.800 -0.098 0.000 1.115 212 D HN 0.490 nan 8.370 nan 0.000 0.416 213 K N -0.135 120.247 120.400 -0.031 0.000 2.535 213 K HA 0.683 5.003 4.320 -0.000 0.000 0.253 213 K C 0.145 176.746 176.600 0.002 0.000 0.953 213 K CA -0.400 55.881 56.287 -0.010 0.000 0.863 213 K CB 1.988 34.486 32.500 -0.003 0.000 1.111 213 K HN 0.086 nan 8.250 nan 0.000 0.431 214 A N 2.098 124.926 122.820 0.012 0.000 2.262 214 A HA 0.761 5.081 4.320 -0.000 0.000 0.273 214 A C -0.429 177.167 177.584 0.020 0.000 1.202 214 A CA -0.149 51.903 52.037 0.026 0.000 0.811 214 A CB 0.393 19.418 19.000 0.042 0.000 1.159 214 A HN 0.722 nan 8.150 nan 0.000 0.505 215 A N -0.240 122.592 122.820 0.020 0.000 2.465 215 A HA 0.538 4.858 4.320 -0.000 0.000 0.292 215 A C -0.680 176.908 177.584 0.006 0.000 1.041 215 A CA -0.579 51.463 52.037 0.009 0.000 0.718 215 A CB 0.669 19.667 19.000 -0.004 0.000 1.266 215 A HN 0.614 nan 8.150 nan 0.000 0.403 216 I N 3.249 123.823 120.570 0.007 0.000 2.517 216 I HA 0.114 4.284 4.170 -0.000 0.000 0.285 216 I C 1.124 177.240 176.117 -0.003 0.000 1.106 216 I CA 0.459 61.761 61.300 0.003 0.000 1.402 216 I CB 0.153 38.157 38.000 0.006 0.000 1.399 216 I HN 0.737 nan 8.210 nan 0.000 0.535 217 T N 5.447 119.992 114.554 -0.015 0.000 2.983 217 T HA 0.059 4.409 4.350 -0.000 0.000 0.250 217 T C 1.037 175.729 174.700 -0.014 0.000 1.037 217 T CA 0.442 62.529 62.100 -0.023 0.000 1.142 217 T CB 0.197 69.020 68.868 -0.075 0.000 0.876 217 T HN 0.457 nan 8.240 nan 0.000 0.455 218 R N 2.050 122.538 120.500 -0.019 0.000 2.422 218 R HA 0.331 4.671 4.340 -0.000 0.000 0.307 218 R C -3.240 173.055 176.300 -0.008 0.000 1.004 218 R CA -2.305 53.788 56.100 -0.012 0.000 0.882 218 R CB 1.556 31.844 30.300 -0.019 0.000 1.164 218 R HN 0.045 nan 8.270 nan 0.000 0.489 219 P HA 0.158 nan 4.420 nan 0.000 0.267 219 P C -0.636 176.662 177.300 -0.004 0.000 1.209 219 P CA 0.060 63.159 63.100 -0.002 0.000 0.763 219 P CB 1.371 33.071 31.700 0.000 0.000 0.816 220 G N 2.140 110.937 108.800 -0.005 0.000 2.708 220 G HA2 0.319 4.279 3.960 -0.000 0.000 0.289 220 G HA3 0.319 4.279 3.960 -0.000 0.000 0.289 220 G C -0.100 174.796 174.900 -0.007 0.000 1.416 220 G CA -0.463 44.633 45.100 -0.007 0.000 0.829 220 G HN 0.307 nan 8.290 nan 0.000 0.480 221 N N -0.883 117.812 118.700 -0.008 0.000 2.360 221 N HA 0.038 4.778 4.740 -0.000 0.000 0.211 221 N C 0.620 176.123 175.510 -0.011 0.000 1.147 221 N CA 0.108 53.153 53.050 -0.010 0.000 0.866 221 N CB 0.973 39.454 38.487 -0.011 0.000 1.206 221 N HN 0.413 nan 8.380 nan 0.000 0.478 222 D N 0.941 121.334 120.400 -0.012 0.000 2.091 222 D HA 0.036 4.676 4.640 -0.000 0.000 0.199 222 D C 0.612 176.904 176.300 -0.014 0.000 0.980 222 D CA 1.116 55.108 54.000 -0.014 0.000 0.831 222 D CB 0.513 41.304 40.800 -0.014 0.000 0.987 222 D HN -0.063 nan 8.370 nan 0.000 0.460 223 V N -0.151 119.754 119.914 -0.015 0.000 2.925 223 V HA 0.361 4.481 4.120 -0.000 0.000 0.311 223 V C -0.386 175.699 176.094 -0.014 0.000 1.104 223 V CA -0.948 61.343 62.300 -0.016 0.000 0.954 223 V CB 2.313 34.122 31.823 -0.023 0.000 1.022 223 V HN -0.166 nan 8.190 nan 0.000 0.427 224 S N 2.116 117.810 115.700 -0.010 0.000 2.430 224 S HA 0.508 4.978 4.470 -0.000 0.000 0.289 224 S C -0.279 174.312 174.600 -0.016 0.000 1.143 224 S CA -0.395 57.801 58.200 -0.006 0.000 1.067 224 S CB 1.141 64.344 63.200 0.006 0.000 0.964 224 S HN 0.488 nan 8.310 nan 0.000 0.485 225 V N 6.036 125.938 119.914 -0.019 0.000 2.333 225 V HA 0.329 4.449 4.120 -0.000 0.000 0.274 225 V C -0.215 175.868 176.094 -0.019 0.000 1.028 225 V CA -0.526 61.754 62.300 -0.033 0.000 0.851 225 V CB 0.683 32.479 31.823 -0.045 0.000 1.000 225 V HN 0.719 nan 8.190 nan 0.000 0.456 226 L N 5.277 126.490 121.223 -0.016 0.000 2.257 226 L HA 0.726 5.066 4.340 -0.000 0.000 0.290 226 L C 0.234 177.111 176.870 0.011 0.000 1.044 226 L CA 0.316 55.171 54.840 0.025 0.000 0.810 226 L CB 1.444 43.527 42.059 0.040 0.000 1.193 226 L HN 0.741 nan 8.230 nan 0.000 0.425 227 T N 1.644 116.221 114.554 0.038 0.000 2.665 227 T HA 0.686 5.036 4.350 -0.000 0.000 0.303 227 T C -1.847 172.894 174.700 0.068 0.000 1.334 227 T CA -0.393 61.650 62.100 -0.094 0.000 1.011 227 T CB 1.426 70.203 68.868 -0.152 0.000 1.573 227 T HN 0.470 nan 8.240 nan 0.000 0.492 228 Y N -1.863 118.491 120.300 0.089 0.000 2.750 228 Y HA 0.651 5.201 4.550 -0.000 0.000 0.335 228 Y C 0.540 176.491 175.900 0.085 0.000 1.252 228 Y CA -0.491 57.650 58.100 0.067 0.000 1.064 228 Y CB 0.197 38.685 38.460 0.047 0.000 1.321 228 Y HN 1.340 nan 8.280 nan 0.000 0.451 229 G N 0.591 109.562 108.800 0.286 0.000 2.566 229 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.280 229 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.280 229 G C 0.676 175.728 174.900 0.254 0.000 1.225 229 G CA 0.784 46.020 45.100 0.227 0.000 0.966 229 G HN 1.186 nan 8.290 nan 0.000 0.560 230 T N 1.288 115.997 114.554 0.259 0.000 2.720 230 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 230 T C 2.711 177.619 174.700 0.346 0.000 1.037 230 T CA 3.573 65.887 62.100 0.357 0.000 1.144 230 T CB -0.973 68.167 68.868 0.453 0.000 0.864 230 T HN 1.450 nan 8.240 nan 0.000 0.444 231 T N 0.906 115.572 114.554 0.188 0.000 2.996 231 T HA -0.050 4.300 4.350 -0.000 0.000 0.271 231 T C 1.925 176.647 174.700 0.037 0.000 1.126 231 T CA 0.456 62.586 62.100 0.050 0.000 1.103 231 T CB -0.882 67.907 68.868 -0.130 0.000 0.870 231 T HN 0.186 nan 8.240 nan 0.000 0.528 232 V N 0.583 120.550 119.914 0.088 0.000 2.255 232 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 232 V C 2.283 178.339 176.094 -0.064 0.000 1.051 232 V CA 1.699 63.996 62.300 -0.006 0.000 1.018 232 V CB -0.821 30.988 31.823 -0.024 0.000 0.641 232 V HN 0.498 nan 8.190 nan 0.000 0.445 233 Y N -0.422 119.918 120.300 0.066 0.000 2.373 233 Y HA -0.099 4.451 4.550 -0.000 0.000 0.293 233 Y C 2.340 178.236 175.900 -0.006 0.000 1.129 233 Y CA 1.074 59.198 58.100 0.039 0.000 1.226 233 Y CB -0.667 37.817 38.460 0.040 0.000 1.000 233 Y HN 0.044 nan 8.280 nan 0.000 0.549 234 V N -0.345 119.656 119.914 0.144 0.000 2.358 234 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 234 V C 2.494 178.575 176.094 -0.023 0.000 1.047 234 V CA 1.711 64.034 62.300 0.037 0.000 1.035 234 V CB -1.303 30.552 31.823 0.053 0.000 0.658 234 V HN 0.441 nan 8.190 nan 0.000 0.452 235 A N -0.749 122.052 122.820 -0.031 0.000 1.930 235 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 235 A C 2.199 179.757 177.584 -0.042 0.000 1.175 235 A CA 1.755 53.761 52.037 -0.053 0.000 0.627 235 A CB -0.454 18.507 19.000 -0.065 0.000 0.815 235 A HN 0.618 nan 8.150 nan 0.000 0.443 236 Q N -0.589 119.186 119.800 -0.043 0.000 2.084 236 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 236 Q C 2.097 178.094 176.000 -0.006 0.000 0.978 236 Q CA 1.691 57.473 55.803 -0.035 0.000 0.844 236 Q CB -0.269 28.433 28.738 -0.060 0.000 0.898 236 Q HN 0.513 nan 8.270 nan 0.000 0.426 237 V N 0.451 120.366 119.914 0.003 0.000 2.488 237 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 237 V C 2.163 178.260 176.094 0.005 0.000 1.046 237 V CA 1.504 63.812 62.300 0.015 0.000 1.053 237 V CB -0.693 31.135 31.823 0.008 0.000 0.679 237 V HN 0.345 nan 8.190 nan 0.000 0.458 238 A N 0.222 123.029 122.820 -0.022 0.000 1.933 238 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 238 A C 2.409 179.983 177.584 -0.015 0.000 1.175 238 A CA 1.914 53.938 52.037 -0.023 0.000 0.628 238 A CB -0.669 18.304 19.000 -0.045 0.000 0.814 238 A HN 0.543 nan 8.150 nan 0.000 0.444 239 A N -0.419 122.390 122.820 -0.019 0.000 1.933 239 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 239 A C 2.004 179.585 177.584 -0.006 0.000 1.175 239 A CA 1.836 53.864 52.037 -0.016 0.000 0.628 239 A CB -0.472 18.517 19.000 -0.019 0.000 0.814 239 A HN 0.648 nan 8.150 nan 0.000 0.444 240 E N -0.514 119.687 120.200 0.002 0.000 2.152 240 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 240 E C 1.915 178.520 176.600 0.009 0.000 0.983 240 E CA 1.044 57.448 56.400 0.007 0.000 0.818 240 E CB -0.036 29.674 29.700 0.016 0.000 0.758 240 E HN 0.752 nan 8.360 nan 0.000 0.467 241 E N -0.324 119.885 120.200 0.015 0.000 2.112 241 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 241 E C 2.078 178.683 176.600 0.007 0.000 0.979 241 E CA 1.058 57.468 56.400 0.018 0.000 0.814 241 E CB 0.179 29.901 29.700 0.036 0.000 0.762 241 E HN 0.102 nan 8.360 nan 0.000 0.460 242 S N -0.793 114.908 115.700 0.002 0.000 2.406 242 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 242 S C 1.698 176.295 174.600 -0.005 0.000 1.020 242 S CA 0.817 59.015 58.200 -0.003 0.000 0.965 242 S CB 0.198 63.392 63.200 -0.010 0.000 0.798 242 S HN 0.545 nan 8.310 nan 0.000 0.488 243 G N 0.599 109.396 108.800 -0.004 0.000 2.336 243 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.233 243 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.233 243 G C 0.270 175.165 174.900 -0.008 0.000 1.053 243 G CA -0.011 45.086 45.100 -0.005 0.000 0.625 243 G HN 0.481 nan 8.290 nan 0.000 0.511 244 V N 2.026 121.934 119.914 -0.010 0.000 2.681 244 V HA 0.199 4.319 4.120 -0.000 0.000 0.306 244 V C 0.931 177.017 176.094 -0.012 0.000 1.077 244 V CA 1.219 63.512 62.300 -0.012 0.000 1.224 244 V CB 1.106 32.919 31.823 -0.016 0.000 0.879 244 V HN 0.472 nan 8.190 nan 0.000 0.494 245 D N 4.235 124.628 120.400 -0.012 0.000 2.688 245 D HA 0.403 5.043 4.640 -0.000 0.000 0.228 245 D C 0.376 176.669 176.300 -0.013 0.000 1.116 245 D CA 0.062 54.056 54.000 -0.011 0.000 1.023 245 D CB 0.003 40.798 40.800 -0.010 0.000 1.100 245 D HN 0.797 nan 8.370 nan 0.000 0.487 246 A N 2.520 125.331 122.820 -0.015 0.000 2.331 246 A HA 0.332 4.652 4.320 -0.000 0.000 0.283 246 A C 0.299 177.873 177.584 -0.016 0.000 1.142 246 A CA -0.623 51.403 52.037 -0.018 0.000 0.812 246 A CB 0.512 19.497 19.000 -0.024 0.000 1.074 246 A HN 0.513 nan 8.150 nan 0.000 0.497 247 E N 2.046 122.238 120.200 -0.014 0.000 2.105 247 E HA 0.399 4.749 4.350 -0.000 0.000 0.285 247 E C -1.070 175.521 176.600 -0.014 0.000 1.055 247 E CA -0.295 56.099 56.400 -0.010 0.000 0.843 247 E CB 0.608 30.305 29.700 -0.004 0.000 1.067 247 E HN 0.404 nan 8.360 nan 0.000 0.398 248 V N 7.011 126.913 119.914 -0.020 0.000 2.385 248 V HA 0.236 4.356 4.120 -0.000 0.000 0.269 248 V C 0.201 176.285 176.094 -0.017 0.000 1.043 248 V CA -0.291 61.992 62.300 -0.028 0.000 0.906 248 V CB 0.715 32.509 31.823 -0.048 0.000 0.995 248 V HN 0.620 nan 8.190 nan 0.000 0.467 249 I N 4.098 124.667 120.570 -0.002 0.000 2.355 249 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 249 I C -0.319 175.823 176.117 0.041 0.000 0.999 249 I CA -0.421 60.891 61.300 0.020 0.000 1.163 249 I CB 1.614 39.636 38.000 0.036 0.000 1.316 249 I HN 0.506 nan 8.210 nan 0.000 0.454 250 D N 6.807 127.229 120.400 0.037 0.000 2.365 250 D HA 0.218 4.858 4.640 -0.000 0.000 0.237 250 D C 0.959 177.315 176.300 0.095 0.000 1.190 250 D CA -0.132 53.911 54.000 0.071 0.000 0.867 250 D CB 1.056 41.875 40.800 0.031 0.000 1.050 250 D HN 0.428 nan 8.370 nan 0.000 0.491 251 L N 3.422 124.745 121.223 0.167 0.000 2.083 251 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 251 L C 1.990 178.895 176.870 0.059 0.000 1.083 251 L CA 0.524 55.449 54.840 0.142 0.000 0.752 251 L CB -0.353 41.850 42.059 0.241 0.000 0.899 251 L HN 0.549 nan 8.230 nan 0.000 0.433 252 R N -1.510 119.015 120.500 0.042 0.000 1.396 252 R HA -0.211 4.129 4.340 -0.000 0.000 0.053 252 R C 0.526 176.762 176.300 -0.106 0.000 0.951 252 R CA 1.826 57.908 56.100 -0.030 0.000 1.960 252 R CB -1.497 28.795 30.300 -0.013 0.000 0.309 252 R HN 0.265 nan 8.270 nan 0.000 0.719 253 S N 1.010 116.659 115.700 -0.085 0.000 2.410 253 S HA 0.378 4.848 4.470 -0.000 0.000 0.304 253 S C 1.285 175.807 174.600 -0.131 0.000 1.095 253 S CA -0.582 57.543 58.200 -0.126 0.000 1.089 253 S CB 1.114 64.253 63.200 -0.102 0.000 0.968 253 S HN 0.218 nan 8.310 nan 0.000 0.480 254 L N 2.093 123.156 121.223 -0.267 0.000 2.007 254 L HA 0.192 4.532 4.340 -0.000 0.000 0.205 254 L C 0.740 177.567 176.870 -0.071 0.000 1.073 254 L CA 0.870 55.462 54.840 -0.413 0.000 0.744 254 L CB 0.051 41.540 42.059 -0.949 0.000 0.898 254 L HN 0.552 nan 8.230 nan 0.000 0.435 255 W N 0.636 121.765 121.300 -0.285 0.000 3.439 255 W HA 0.309 4.969 4.660 -0.000 0.000 0.323 255 W C -2.926 173.540 176.519 -0.089 0.000 1.174 255 W CA -1.757 55.525 57.345 -0.104 0.000 1.224 255 W CB 1.791 31.219 29.460 -0.054 0.000 1.348 255 W HN -0.267 nan 8.180 nan 0.000 0.498 256 P HA 0.114 nan 4.420 nan 0.000 0.272 256 P C -0.464 176.496 177.300 -0.567 0.000 1.223 256 P CA 0.151 62.514 63.100 -1.229 0.000 0.784 256 P CB 0.744 31.922 31.700 -0.870 0.000 0.923 257 L N -0.934 119.974 121.223 -0.526 0.000 2.299 257 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 257 L C 0.141 176.935 176.870 -0.126 0.000 1.012 257 L CA -0.676 54.080 54.840 -0.140 0.000 0.816 257 L CB -0.027 42.114 42.059 0.136 0.000 1.355 257 L HN 0.038 nan 8.230 nan 0.000 0.457 258 D N 0.377 120.761 120.400 -0.028 0.000 2.522 258 D HA 0.129 4.769 4.640 -0.000 0.000 0.218 258 D C 0.863 177.179 176.300 0.026 0.000 1.149 258 D CA -0.129 53.864 54.000 -0.012 0.000 0.981 258 D CB 0.553 41.356 40.800 0.006 0.000 1.041 258 D HN 0.625 nan 8.370 nan 0.000 0.518 259 L N 3.230 124.467 121.223 0.024 0.000 2.042 259 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 259 L C 1.457 178.378 176.870 0.085 0.000 1.076 259 L CA 1.849 56.737 54.840 0.080 0.000 0.749 259 L CB -0.193 41.931 42.059 0.108 0.000 0.893 259 L HN 0.247 nan 8.230 nan 0.000 0.432 260 D N -1.088 119.345 120.400 0.055 0.000 2.084 260 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 260 D C 2.007 178.337 176.300 0.050 0.000 0.990 260 D CA 2.075 56.105 54.000 0.049 0.000 0.826 260 D CB -0.362 40.454 40.800 0.027 0.000 0.971 260 D HN 0.366 nan 8.370 nan 0.000 0.453 261 T N 1.332 115.910 114.554 0.041 0.000 2.803 261 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 261 T C 2.224 176.953 174.700 0.049 0.000 1.052 261 T CA 0.655 62.779 62.100 0.039 0.000 1.136 261 T CB -0.148 68.740 68.868 0.033 0.000 0.864 261 T HN 0.160 nan 8.240 nan 0.000 0.467 262 I N 0.497 121.103 120.570 0.061 0.000 2.162 262 I HA -0.125 4.045 4.170 -0.000 0.000 0.238 262 I C 2.498 178.657 176.117 0.070 0.000 1.076 262 I CA 0.859 62.198 61.300 0.065 0.000 1.353 262 I CB -0.537 37.507 38.000 0.074 0.000 1.063 262 I HN 0.042 nan 8.210 nan 0.000 0.408 263 V N 0.860 120.829 119.914 0.092 0.000 2.324 263 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 263 V C 2.491 178.642 176.094 0.096 0.000 1.060 263 V CA 2.257 64.623 62.300 0.110 0.000 1.042 263 V CB -0.755 31.155 31.823 0.144 0.000 0.650 263 V HN 0.504 nan 8.190 nan 0.000 0.450 264 E N -0.113 120.132 120.200 0.076 0.000 2.077 264 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 264 E C 2.382 179.015 176.600 0.056 0.000 0.989 264 E CA 1.540 57.978 56.400 0.064 0.000 0.800 264 E CB -0.081 29.647 29.700 0.047 0.000 0.746 264 E HN 0.587 nan 8.360 nan 0.000 0.452 265 S N -0.175 115.554 115.700 0.048 0.000 2.356 265 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 265 S C 2.024 176.648 174.600 0.040 0.000 1.032 265 S CA 1.214 59.435 58.200 0.036 0.000 1.005 265 S CB -0.122 63.096 63.200 0.029 0.000 0.867 265 S HN 0.164 nan 8.310 nan 0.000 0.449 266 V N 2.408 122.353 119.914 0.052 0.000 2.343 266 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 266 V C 2.386 178.532 176.094 0.087 0.000 1.051 266 V CA 1.871 64.205 62.300 0.056 0.000 1.036 266 V CB -0.637 31.220 31.823 0.056 0.000 0.654 266 V HN 0.477 nan 8.190 nan 0.000 0.451 267 K N 0.610 121.088 120.400 0.130 0.000 2.063 267 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 267 K C 2.321 178.953 176.600 0.054 0.000 1.048 267 K CA 1.974 58.390 56.287 0.214 0.000 0.928 267 K CB -0.194 32.465 32.500 0.266 0.000 0.713 267 K HN 0.402 nan 8.250 nan 0.000 0.442 268 K N -0.090 120.327 120.400 0.028 0.000 2.031 268 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 268 K C 1.903 178.494 176.600 -0.015 0.000 1.049 268 K CA 1.791 58.071 56.287 -0.011 0.000 0.939 268 K CB -0.149 32.350 32.500 -0.000 0.000 0.717 268 K HN 0.144 nan 8.250 nan 0.000 0.438 269 T N -0.816 113.740 114.554 0.004 0.000 2.698 269 T HA -0.019 4.331 4.350 -0.000 0.000 0.260 269 T C 1.154 175.852 174.700 -0.003 0.000 1.044 269 T CA 1.782 63.882 62.100 -0.001 0.000 1.149 269 T CB -0.347 68.523 68.868 0.004 0.000 0.864 269 T HN 0.610 nan 8.240 nan 0.000 0.419 270 G N 2.012 110.821 108.800 0.015 0.000 2.163 270 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.213 270 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.213 270 G C 0.094 174.997 174.900 0.004 0.000 0.991 270 G CA 0.006 45.116 45.100 0.018 0.000 0.653 270 G HN 0.808 nan 8.290 nan 0.000 0.518 271 R N -1.596 118.905 120.500 0.001 0.000 2.644 271 R HA 0.644 4.984 4.340 -0.000 0.000 0.257 271 R C -0.582 175.711 176.300 -0.012 0.000 1.082 271 R CA -0.470 55.623 56.100 -0.011 0.000 0.927 271 R CB 0.636 30.924 30.300 -0.019 0.000 1.258 271 R HN 1.125 nan 8.270 nan 0.000 0.459 272 C N 0.233 119.521 119.300 -0.019 0.000 2.888 272 C HA 0.867 5.327 4.460 -0.000 0.000 0.308 272 C C -0.885 174.081 174.990 -0.040 0.000 1.213 272 C CA -0.596 58.407 59.018 -0.024 0.000 1.461 272 C CB 1.714 29.445 27.740 -0.014 0.000 1.934 272 C HN 0.662 nan 8.230 nan 0.000 0.474 273 V N 3.704 123.588 119.914 -0.050 0.000 2.540 273 V HA 0.582 4.702 4.120 -0.000 0.000 0.302 273 V C -0.127 175.915 176.094 -0.086 0.000 1.035 273 V CA -0.404 61.852 62.300 -0.073 0.000 0.873 273 V CB 1.577 33.353 31.823 -0.080 0.000 0.992 273 V HN 0.873 nan 8.190 nan 0.000 0.428 274 V N 5.385 125.232 119.914 -0.112 0.000 2.439 274 V HA 0.543 4.663 4.120 -0.000 0.000 0.282 274 V C -0.218 175.743 176.094 -0.223 0.000 1.039 274 V CA -0.398 61.825 62.300 -0.128 0.000 0.913 274 V CB 1.728 33.485 31.823 -0.110 0.000 0.983 274 V HN 0.630 nan 8.190 nan 0.000 0.460 275 V N 5.609 125.380 119.914 -0.238 0.000 2.525 275 V HA 0.676 4.796 4.120 -0.000 0.000 0.299 275 V C -0.718 175.161 176.094 -0.360 0.000 1.034 275 V CA -0.550 61.552 62.300 -0.330 0.000 0.863 275 V CB 1.625 33.297 31.823 -0.252 0.000 0.999 275 V HN 1.206 nan 8.190 nan 0.000 0.423 276 H N 0.818 119.705 119.070 -0.305 0.000 3.014 276 H HA 0.529 5.085 4.556 -0.000 0.000 0.337 276 H C 0.134 175.328 175.328 -0.224 0.000 1.320 276 H CA -0.830 55.022 56.048 -0.327 0.000 1.128 276 H CB 1.166 30.758 29.762 -0.284 0.000 1.862 276 H HN 0.300 nan 8.280 nan 0.000 0.536 277 E N 0.746 121.019 120.200 0.122 0.000 2.107 277 E HA 0.089 4.439 4.350 -0.000 0.000 0.191 277 E C 0.713 177.477 176.600 0.273 0.000 0.982 277 E CA 0.822 57.297 56.400 0.124 0.000 0.809 277 E CB 0.070 29.909 29.700 0.232 0.000 0.756 277 E HN 0.659 nan 8.360 nan 0.000 0.459 278 A N 1.964 124.991 122.820 0.345 0.000 2.507 278 A HA 0.050 4.370 4.320 -0.000 0.000 0.235 278 A C 0.686 178.453 177.584 0.305 0.000 1.070 278 A CA 0.156 52.349 52.037 0.261 0.000 0.768 278 A CB -0.115 18.910 19.000 0.041 0.000 1.011 278 A HN 0.245 nan 8.150 nan 0.000 0.502 279 T N 0.205 114.912 114.554 0.255 0.000 2.908 279 T HA 0.096 4.446 4.350 -0.000 0.000 0.325 279 T C 1.153 175.968 174.700 0.192 0.000 1.092 279 T CA 0.587 62.812 62.100 0.209 0.000 1.125 279 T CB 0.346 69.338 68.868 0.207 0.000 1.016 279 T HN 0.692 nan 8.240 nan 0.000 0.550 280 R N 1.176 121.741 120.500 0.109 0.000 2.096 280 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 280 R C 0.975 177.336 176.300 0.101 0.000 1.134 280 R CA 1.581 57.729 56.100 0.080 0.000 0.917 280 R CB -0.875 29.436 30.300 0.019 0.000 0.832 280 R HN 0.768 nan 8.270 nan 0.000 0.430 281 T N 0.731 115.335 114.554 0.083 0.000 2.831 281 T HA -0.020 4.330 4.350 -0.000 0.000 0.291 281 T C 0.522 175.259 174.700 0.062 0.000 0.981 281 T CA 0.418 62.556 62.100 0.063 0.000 1.174 281 T CB 0.270 69.171 68.868 0.056 0.000 0.929 281 T HN 0.529 nan 8.240 nan 0.000 0.532 282 C N 2.768 122.094 119.300 0.043 0.000 4.265 282 C HA -0.138 4.322 4.460 -0.000 0.000 0.287 282 C C 1.736 176.754 174.990 0.047 0.000 1.451 282 C CA 0.306 59.342 59.018 0.030 0.000 1.966 282 C CB -2.457 25.294 27.740 0.019 0.000 1.302 282 C HN 1.212 nan 8.230 nan 0.000 0.794 283 G N -1.227 107.623 108.800 0.082 0.000 2.683 283 G HA2 0.379 4.339 3.960 -0.000 0.000 0.260 283 G HA3 0.379 4.339 3.960 -0.000 0.000 0.260 283 G C 0.365 175.328 174.900 0.106 0.000 1.238 283 G CA 0.168 45.320 45.100 0.086 0.000 0.934 283 G HN 0.336 nan 8.290 nan 0.000 0.534 284 F N 0.988 120.875 119.950 -0.106 0.000 2.293 284 F HA 0.021 4.548 4.527 -0.000 0.000 0.300 284 F C 2.442 178.297 175.800 0.091 0.000 1.086 284 F CA 1.506 59.482 58.000 -0.041 0.000 1.375 284 F CB -0.440 38.528 39.000 -0.054 0.000 1.045 284 F HN 0.388 nan 8.300 nan 0.000 0.516 285 G N 0.103 109.026 108.800 0.204 0.000 2.469 285 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.219 285 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.219 285 G C 1.898 176.757 174.900 -0.068 0.000 1.150 285 G CA 0.958 46.145 45.100 0.144 0.000 0.763 285 G HN 0.585 nan 8.290 nan 0.000 0.561 286 A N 0.606 123.405 122.820 -0.035 0.000 1.940 286 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 286 A C 2.192 179.691 177.584 -0.142 0.000 1.176 286 A CA 2.274 54.268 52.037 -0.071 0.000 0.631 286 A CB -0.367 18.612 19.000 -0.036 0.000 0.814 286 A HN 0.419 nan 8.150 nan 0.000 0.446 287 E N 0.169 120.232 120.200 -0.228 0.000 2.072 287 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 287 E C 1.845 178.270 176.600 -0.293 0.000 0.982 287 E CA 1.040 57.273 56.400 -0.277 0.000 0.803 287 E CB -0.395 29.102 29.700 -0.338 0.000 0.755 287 E HN 0.594 nan 8.360 nan 0.000 0.453 288 L N -0.432 120.548 121.223 -0.404 0.000 2.017 288 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 288 L C 2.432 179.209 176.870 -0.156 0.000 1.073 288 L CA 1.087 55.759 54.840 -0.280 0.000 0.745 288 L CB -0.587 41.300 42.059 -0.287 0.000 0.894 288 L HN 0.091 nan 8.230 nan 0.000 0.432 289 V N -0.715 119.117 119.914 -0.137 0.000 2.287 289 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 289 V C 2.572 178.613 176.094 -0.088 0.000 1.053 289 V CA 2.160 64.406 62.300 -0.091 0.000 1.027 289 V CB -0.526 31.252 31.823 -0.075 0.000 0.646 289 V HN 0.396 nan 8.190 nan 0.000 0.447 290 S N -0.143 115.493 115.700 -0.107 0.000 2.399 290 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 290 S C 1.875 176.395 174.600 -0.133 0.000 1.022 290 S CA 1.395 59.532 58.200 -0.105 0.000 0.983 290 S CB -0.308 62.825 63.200 -0.112 0.000 0.803 290 S HN 0.451 nan 8.310 nan 0.000 0.480 291 L N 0.730 121.860 121.223 -0.156 0.000 2.044 291 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 291 L C 2.358 179.090 176.870 -0.230 0.000 1.075 291 L CA 0.831 55.534 54.840 -0.229 0.000 0.747 291 L CB -0.674 41.294 42.059 -0.151 0.000 0.903 291 L HN 0.202 nan 8.230 nan 0.000 0.435 292 V N -0.033 119.813 119.914 -0.113 0.000 2.332 292 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 292 V C 2.553 178.635 176.094 -0.021 0.000 1.055 292 V CA 1.893 64.165 62.300 -0.047 0.000 1.038 292 V CB -0.644 31.163 31.823 -0.026 0.000 0.651 292 V HN 0.557 nan 8.190 nan 0.000 0.450 293 Q N 0.357 120.142 119.800 -0.025 0.000 2.135 293 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 293 Q C 2.185 178.205 176.000 0.033 0.000 0.981 293 Q CA 2.305 58.130 55.803 0.036 0.000 0.856 293 Q CB -0.125 28.626 28.738 0.021 0.000 0.902 293 Q HN 0.804 nan 8.270 nan 0.000 0.425 294 E N -1.012 119.155 120.200 -0.055 0.000 2.072 294 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 294 E C 1.222 177.904 176.600 0.136 0.000 0.982 294 E CA 0.797 57.177 56.400 -0.032 0.000 0.803 294 E CB 0.019 29.643 29.700 -0.127 0.000 0.755 294 E HN 0.631 nan 8.360 nan 0.000 0.453 295 H N -2.460 116.611 119.070 0.002 0.000 2.586 295 H HA 0.219 4.775 4.556 -0.000 0.000 0.273 295 H C 0.286 175.598 175.328 -0.027 0.000 0.997 295 H CA -0.335 55.711 56.048 -0.004 0.000 1.177 295 H CB 0.657 30.427 29.762 0.013 0.000 1.471 295 H HN 0.121 nan 8.280 nan 0.000 0.538 296 C N 0.756 120.110 119.300 0.089 0.000 3.144 296 C HA 0.074 4.534 4.460 -0.000 0.000 0.253 296 C C 1.461 176.445 174.990 -0.011 0.000 2.010 296 C CA -0.792 58.232 59.018 0.010 0.000 1.698 296 C CB -1.693 26.081 27.740 0.057 0.000 3.346 296 C HN 0.539 nan 8.230 nan 0.000 0.449 297 F N 1.867 121.700 119.950 -0.196 0.000 2.134 297 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 297 F C 2.427 178.079 175.800 -0.246 0.000 1.097 297 F CA 1.883 59.724 58.000 -0.264 0.000 1.264 297 F CB -0.129 38.623 39.000 -0.413 0.000 1.001 297 F HN 0.418 nan 8.300 nan 0.000 0.479 298 H N -1.670 117.347 119.070 -0.088 0.000 2.436 298 H HA 0.010 4.566 4.556 -0.000 0.000 0.294 298 H C 1.786 177.111 175.328 -0.006 0.000 1.048 298 H CA 1.640 57.618 56.048 -0.116 0.000 1.353 298 H CB -0.900 28.869 29.762 0.012 0.000 1.414 298 H HN 0.533 nan 8.280 nan 0.000 0.536 299 H N -0.221 118.879 119.070 0.049 0.000 2.556 299 H HA 0.017 4.573 4.556 -0.000 0.000 0.268 299 H C 0.254 175.558 175.328 -0.040 0.000 0.996 299 H CA -0.613 55.443 56.048 0.013 0.000 1.157 299 H CB 0.354 30.136 29.762 0.033 0.000 1.355 299 H HN -0.040 nan 8.280 nan 0.000 0.597 300 L N 2.523 123.748 121.223 0.003 0.000 2.385 300 L HA -0.033 4.307 4.340 -0.000 0.000 0.281 300 L C 0.980 177.802 176.870 -0.080 0.000 1.106 300 L CA 0.228 55.030 54.840 -0.064 0.000 0.856 300 L CB 0.652 42.620 42.059 -0.152 0.000 1.186 300 L HN 0.136 nan 8.230 nan 0.000 0.453 301 E N 3.434 123.609 120.200 -0.042 0.000 2.442 301 E HA 0.291 4.641 4.350 -0.000 0.000 0.195 301 E C 0.106 176.678 176.600 -0.048 0.000 1.030 301 E CA 0.400 56.775 56.400 -0.042 0.000 0.869 301 E CB 0.437 30.121 29.700 -0.026 0.000 0.857 301 E HN 0.614 nan 8.360 nan 0.000 0.505 302 A N 1.092 123.881 122.820 -0.051 0.000 2.601 302 A HA 0.528 4.848 4.320 -0.000 0.000 0.291 302 A C -2.823 174.735 177.584 -0.044 0.000 1.075 302 A CA -1.291 50.719 52.037 -0.044 0.000 0.671 302 A CB 0.675 19.656 19.000 -0.033 0.000 1.277 302 A HN -0.164 nan 8.150 nan 0.000 0.417 303 P HA 0.355 nan 4.420 nan 0.000 0.268 303 P C -0.604 176.677 177.300 -0.031 0.000 1.204 303 P CA 0.194 63.277 63.100 -0.028 0.000 0.768 303 P CB 0.087 31.775 31.700 -0.021 0.000 0.842 304 I N 2.878 123.431 120.570 -0.029 0.000 2.581 304 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 304 I C 1.182 177.272 176.117 -0.046 0.000 1.129 304 I CA 0.256 61.534 61.300 -0.037 0.000 1.397 304 I CB 0.015 37.994 38.000 -0.035 0.000 1.399 304 I HN 0.205 nan 8.210 nan 0.000 0.537 305 E N 7.420 127.586 120.200 -0.056 0.000 2.283 305 E HA 0.444 4.794 4.350 -0.000 0.000 0.271 305 E C -0.368 176.172 176.600 -0.099 0.000 1.031 305 E CA -0.677 55.681 56.400 -0.070 0.000 0.868 305 E CB 1.664 31.323 29.700 -0.069 0.000 1.094 305 E HN 0.541 nan 8.360 nan 0.000 0.401 306 R N -0.535 119.891 120.500 -0.124 0.000 2.514 306 R HA 0.496 4.836 4.340 -0.000 0.000 0.296 306 R C -1.156 174.997 176.300 -0.245 0.000 1.012 306 R CA -0.757 55.230 56.100 -0.188 0.000 0.897 306 R CB 0.686 30.871 30.300 -0.191 0.000 1.184 306 R HN 0.081 nan 8.270 nan 0.000 0.440 307 V N 3.000 122.734 119.914 -0.300 0.000 2.333 307 V HA 0.416 4.536 4.120 -0.000 0.000 0.274 307 V C 0.415 176.209 176.094 -0.499 0.000 1.028 307 V CA -0.261 61.823 62.300 -0.360 0.000 0.851 307 V CB 0.709 32.353 31.823 -0.299 0.000 1.000 307 V HN 1.044 nan 8.190 nan 0.000 0.456 308 T N 1.566 115.777 114.554 -0.572 0.000 2.804 308 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 308 T C 0.314 174.577 174.700 -0.729 0.000 1.099 308 T CA -0.236 61.503 62.100 -0.601 0.000 1.011 308 T CB 1.579 70.133 68.868 -0.523 0.000 1.291 308 T HN 0.824 nan 8.240 nan 0.000 0.523 309 G N -0.447 108.015 108.800 -0.564 0.000 2.491 309 G HA2 0.420 4.380 3.960 -0.000 0.000 0.242 309 G HA3 0.420 4.380 3.960 -0.000 0.000 0.242 309 G C -0.416 174.062 174.900 -0.704 0.000 1.266 309 G CA -0.953 43.607 45.100 -0.900 0.000 0.844 309 G HN 0.670 nan 8.290 nan 0.000 0.571 310 W N -0.443 120.456 121.300 -0.668 0.000 2.123 310 W HA 0.150 4.810 4.660 -0.000 0.000 0.351 310 W C 0.482 177.027 176.519 0.043 0.000 1.292 310 W CA -0.731 56.484 57.345 -0.215 0.000 1.263 310 W CB 0.595 29.958 29.460 -0.161 0.000 1.165 310 W HN 0.329 nan 8.180 nan 0.000 0.590 311 D N 1.775 122.359 120.400 0.307 0.000 2.662 311 D HA 0.049 4.689 4.640 -0.000 0.000 0.228 311 D C -0.296 176.140 176.300 0.227 0.000 1.093 311 D CA 0.770 54.904 54.000 0.223 0.000 1.075 311 D CB 0.042 40.932 40.800 0.151 0.000 1.122 311 D HN 0.153 nan 8.370 nan 0.000 0.475 312 T N 0.449 115.187 114.554 0.306 0.000 2.932 312 T HA 0.365 4.715 4.350 -0.000 0.000 0.318 312 T C -2.678 172.120 174.700 0.164 0.000 1.265 312 T CA -1.499 60.740 62.100 0.231 0.000 1.036 312 T CB 1.902 70.928 68.868 0.264 0.000 1.209 312 T HN -0.134 nan 8.240 nan 0.000 0.484 313 P HA 0.177 nan 4.420 nan 0.000 0.268 313 P C -1.115 176.142 177.300 -0.070 0.000 1.205 313 P CA -0.214 62.906 63.100 0.033 0.000 0.771 313 P CB 0.125 31.846 31.700 0.034 0.000 0.858 314 Y N 5.219 125.375 120.300 -0.240 0.000 2.713 314 Y HA 0.032 4.582 4.550 -0.000 0.000 0.341 314 Y C -1.554 174.201 175.900 -0.242 0.000 1.167 314 Y CA -1.135 56.695 58.100 -0.450 0.000 1.503 314 Y CB 0.041 38.297 38.460 -0.341 0.000 1.199 314 Y HN 0.370 nan 8.280 nan 0.000 0.525 315 P HA 0.073 nan 4.420 nan 0.000 0.277 315 P C -0.545 176.847 177.300 0.153 0.000 1.271 315 P CA 0.124 63.243 63.100 0.032 0.000 0.795 315 P CB 1.568 33.261 31.700 -0.010 0.000 1.101 316 H N 0.012 119.115 119.070 0.057 0.000 2.348 316 H HA 0.264 4.820 4.556 -0.000 0.000 0.313 316 H C 1.941 177.356 175.328 0.146 0.000 1.051 316 H CA 1.736 57.841 56.048 0.094 0.000 1.420 316 H CB -0.599 29.199 29.762 0.061 0.000 1.484 316 H HN 0.328 nan 8.280 nan 0.000 0.609 317 A N 0.395 123.197 122.820 -0.031 0.000 1.898 317 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 317 A C 1.696 179.281 177.584 0.003 0.000 1.181 317 A CA 1.508 53.515 52.037 -0.049 0.000 0.620 317 A CB -0.414 18.615 19.000 0.049 0.000 0.819 317 A HN 0.577 nan 8.150 nan 0.000 0.442 318 Q N -0.026 119.780 119.800 0.010 0.000 2.259 318 Q HA 0.165 4.505 4.340 -0.000 0.000 0.228 318 Q C 1.119 177.091 176.000 -0.046 0.000 0.909 318 Q CA 0.525 56.343 55.803 0.025 0.000 0.948 318 Q CB 0.040 28.813 28.738 0.057 0.000 1.041 318 Q HN 0.749 nan 8.270 nan 0.000 0.445 319 E N 0.223 120.269 120.200 -0.256 0.000 2.048 319 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 319 E C 0.483 176.786 176.600 -0.496 0.000 1.021 319 E CA 1.950 58.001 56.400 -0.583 0.000 0.825 319 E CB -0.140 28.731 29.700 -1.381 0.000 0.756 319 E HN 0.633 nan 8.360 nan 0.000 0.454 320 W N -0.317 120.964 121.300 -0.032 0.000 2.800 320 W HA 0.268 4.928 4.660 -0.000 0.000 0.249 320 W C 2.188 178.796 176.519 0.148 0.000 1.294 320 W CA 0.173 57.519 57.345 0.002 0.000 1.402 320 W CB -0.036 29.278 29.460 -0.243 0.000 1.126 320 W HN 0.179 nan 8.180 nan 0.000 0.652 321 A N -0.555 122.439 122.820 0.291 0.000 1.970 321 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 321 A C 1.554 179.387 177.584 0.415 0.000 1.170 321 A CA 1.079 53.295 52.037 0.298 0.000 0.645 321 A CB -0.808 18.309 19.000 0.195 0.000 0.816 321 A HN 0.438 nan 8.150 nan 0.000 0.447 322 Y N -0.975 119.439 120.300 0.189 0.000 2.163 322 Y HA 0.205 4.755 4.550 -0.000 0.000 0.288 322 Y C 0.682 176.582 175.900 -0.000 0.000 1.112 322 Y CA 0.346 58.531 58.100 0.140 0.000 1.104 322 Y CB -0.382 37.938 38.460 -0.233 0.000 1.016 322 Y HN 0.197 nan 8.280 nan 0.000 0.497 323 F N 5.120 125.123 119.950 0.089 0.000 2.612 323 F HA 0.110 4.637 4.527 -0.000 0.000 0.389 323 F C -2.049 173.751 175.800 -0.001 0.000 1.055 323 F CA -2.405 55.655 58.000 0.101 0.000 1.232 323 F CB 0.236 39.400 39.000 0.273 0.000 1.044 323 F HN 0.046 nan 8.300 nan 0.000 0.560 324 P HA 0.123 nan 4.420 nan 0.000 0.267 324 P C -0.038 177.041 177.300 -0.368 0.000 1.328 324 P CA 0.099 62.872 63.100 -0.544 0.000 0.990 324 P CB 0.161 31.475 31.700 -0.645 0.000 1.168 325 G N 4.600 113.401 108.800 0.002 0.000 2.522 325 G HA2 0.323 4.283 3.960 -0.000 0.000 0.304 325 G HA3 0.323 4.283 3.960 -0.000 0.000 0.304 325 G C -1.689 173.199 174.900 -0.019 0.000 1.210 325 G CA -1.687 43.495 45.100 0.136 0.000 0.960 325 G HN 0.118 nan 8.290 nan 0.000 0.497 326 P HA -0.194 nan 4.420 nan 0.000 0.216 326 P C 2.325 179.602 177.300 -0.039 0.000 1.154 326 P CA 2.348 65.381 63.100 -0.111 0.000 0.865 326 P CB 0.063 31.609 31.700 -0.256 0.000 0.789 327 S N -0.241 115.462 115.700 0.005 0.000 2.351 327 S HA -0.230 4.240 4.470 -0.000 0.000 0.220 327 S C 2.138 176.745 174.600 0.013 0.000 1.035 327 S CA 1.321 59.542 58.200 0.034 0.000 1.031 327 S CB -1.206 62.038 63.200 0.073 0.000 0.928 327 S HN 0.018 nan 8.310 nan 0.000 0.433 328 R N 0.617 121.121 120.500 0.007 0.000 2.096 328 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 328 R C 2.172 178.426 176.300 -0.077 0.000 1.127 328 R CA 1.310 57.395 56.100 -0.025 0.000 0.968 328 R CB -0.476 29.797 30.300 -0.046 0.000 0.861 328 R HN 0.407 nan 8.270 nan 0.000 0.440 329 V N -0.374 119.482 119.914 -0.096 0.000 2.379 329 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 329 V C 2.312 178.362 176.094 -0.073 0.000 1.044 329 V CA 1.972 64.205 62.300 -0.112 0.000 1.036 329 V CB -0.774 30.974 31.823 -0.124 0.000 0.664 329 V HN 0.616 nan 8.190 nan 0.000 0.453 330 G N -0.133 108.638 108.800 -0.049 0.000 2.440 330 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 330 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 330 G C 1.777 176.662 174.900 -0.025 0.000 1.154 330 G CA 1.108 46.190 45.100 -0.030 0.000 0.767 330 G HN 0.599 nan 8.290 nan 0.000 0.552 331 A N 1.145 123.953 122.820 -0.020 0.000 1.908 331 A HA 0.213 4.533 4.320 -0.000 0.000 0.218 331 A C 2.780 180.349 177.584 -0.025 0.000 1.181 331 A CA 2.341 54.370 52.037 -0.014 0.000 0.627 331 A CB -0.716 18.283 19.000 -0.001 0.000 0.818 331 A HN 0.835 nan 8.150 nan 0.000 0.445 332 A N -0.688 122.107 122.820 -0.043 0.000 2.014 332 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 332 A C 2.080 179.636 177.584 -0.048 0.000 1.163 332 A CA 1.160 53.165 52.037 -0.053 0.000 0.652 332 A CB -0.458 18.493 19.000 -0.082 0.000 0.808 332 A HN 0.467 nan 8.150 nan 0.000 0.449 333 L N -0.841 120.355 121.223 -0.045 0.000 2.141 333 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 333 L C 2.470 179.323 176.870 -0.028 0.000 1.094 333 L CA 1.350 56.168 54.840 -0.038 0.000 0.763 333 L CB -0.292 41.746 42.059 -0.036 0.000 0.908 333 L HN 0.341 nan 8.230 nan 0.000 0.437 334 K N -0.014 120.373 120.400 -0.023 0.000 2.062 334 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 334 K C 2.116 178.706 176.600 -0.018 0.000 1.051 334 K CA 0.848 57.125 56.287 -0.017 0.000 0.941 334 K CB -0.037 32.456 32.500 -0.012 0.000 0.719 334 K HN 0.120 nan 8.250 nan 0.000 0.440 335 K N 1.398 121.786 120.400 -0.020 0.000 2.063 335 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 335 K C 2.025 178.612 176.600 -0.021 0.000 1.048 335 K CA 1.721 57.997 56.287 -0.019 0.000 0.928 335 K CB -0.045 32.443 32.500 -0.020 0.000 0.713 335 K HN 0.108 nan 8.250 nan 0.000 0.442 336 V N -2.101 117.797 119.914 -0.026 0.000 2.667 336 V HA -0.110 4.010 4.120 -0.000 0.000 0.252 336 V C 2.042 178.122 176.094 -0.023 0.000 1.065 336 V CA 1.256 63.540 62.300 -0.027 0.000 1.083 336 V CB -0.387 31.417 31.823 -0.032 0.000 0.692 336 V HN 0.120 nan 8.190 nan 0.000 0.468 337 M N 0.247 119.834 119.600 -0.021 0.000 2.654 337 M HA 0.337 4.817 4.480 -0.000 0.000 0.217 337 M C 0.465 176.755 176.300 -0.016 0.000 1.183 337 M CA -0.124 55.165 55.300 -0.018 0.000 0.991 337 M CB -1.713 30.877 32.600 -0.017 0.000 1.749 337 M HN 0.657 nan 8.290 nan 0.000 0.475 338 E N -0.691 119.499 120.200 -0.016 0.000 2.204 338 E HA 0.555 4.905 4.350 -0.000 0.000 0.276 338 E C -0.513 176.078 176.600 -0.014 0.000 0.974 338 E CA -0.488 55.904 56.400 -0.013 0.000 0.815 338 E CB 2.220 31.913 29.700 -0.012 0.000 1.119 338 E HN 0.191 nan 8.360 nan 0.000 0.393 339 V N 0.000 119.907 119.914 -0.012 0.000 2.409 339 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 339 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 339 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 339 V HN 0.000 nan 8.190 nan 0.000 0.556