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 2bbk_1_H DATA FIRST_RESID 19 DATA SEQUENCE DEPRILEAPA PDARRVYVND PAHFAAVTQQ FVIDGEAGRV IGMIDGGFLP DATA SEQUENCE NPVVADDGSF IAHASTVFSR IARGERTDYV EVFDPVTLLP TADIELPDAP DATA SEQUENCE RFLVGTYPWM TSLTPDGKTL LFYQFSPAPA VGVVDLEGKA FKRMLDVPDc DATA SEQUENCE YHIFPTAPDT FFMHcRDGSL AKVAFGTEGT PEITHTEVFH PEDEFLINHP DATA SEQUENCE AYSQKAGRLV WPTYTGKIHQ IDLSSGDAKF LPAVEALTEA ERADGWRPGG DATA SEQUENCE WQQVAYHRAL DRIYLLVDQR DEWRHKTASR FVVVLDAKTG ERLAKFEMGH DATA SEQUENCE EIDSINVSQD EKPLLYALST GDKTLYIHDA ESGEELRSVN QLGHGPQVIT DATA SEQUENCE TADMG 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 19 D HA 0.000 nan 4.640 nan 0.000 0.175 19 D C 0.000 176.299 176.300 -0.001 0.000 2.045 19 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 19 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 20 E N 2.921 123.121 120.200 -0.001 0.000 2.267 20 E HA 0.377 4.727 4.350 0.000 0.000 0.241 20 E C -2.048 174.551 176.600 -0.001 0.000 0.950 20 E CA -1.566 54.833 56.400 -0.001 0.000 0.776 20 E CB 0.912 30.612 29.700 -0.000 0.000 1.207 20 E HN 0.184 nan 8.360 nan 0.000 0.436 21 P HA 0.030 nan 4.420 nan 0.000 0.266 21 P C -0.527 176.773 177.300 -0.000 0.000 1.195 21 P CA 0.116 63.215 63.100 -0.001 0.000 0.768 21 P CB 0.564 32.263 31.700 -0.001 0.000 0.838 22 R N 1.074 121.574 120.500 -0.000 0.000 2.810 22 R HA 0.627 4.967 4.340 0.000 0.000 0.266 22 R C -1.108 175.192 176.300 0.000 0.000 1.061 22 R CA -1.055 55.045 56.100 0.001 0.000 0.943 22 R CB 0.783 31.084 30.300 0.001 0.000 1.237 22 R HN 0.184 nan 8.270 nan 0.000 0.459 23 I N 2.161 122.732 120.570 0.002 0.000 2.315 23 I HA 0.240 4.410 4.170 0.000 0.000 0.291 23 I C 0.227 176.345 176.117 0.002 0.000 1.006 23 I CA -0.769 60.532 61.300 0.002 0.000 1.265 23 I CB 1.241 39.243 38.000 0.004 0.000 1.387 23 I HN 0.285 nan 8.210 nan 0.000 0.475 24 L N 6.043 127.265 121.223 -0.001 0.000 2.466 24 L HA 0.350 4.690 4.340 0.000 0.000 0.257 24 L C 0.293 177.164 176.870 0.001 0.000 1.189 24 L CA -0.463 54.376 54.840 -0.001 0.000 0.813 24 L CB 0.398 42.453 42.059 -0.005 0.000 1.118 24 L HN 0.570 nan 8.230 nan 0.000 0.471 25 E N 0.215 120.416 120.200 0.002 0.000 2.207 25 E HA 0.535 4.885 4.350 0.000 0.000 0.270 25 E C -0.760 175.840 176.600 0.000 0.000 0.927 25 E CA -0.842 55.561 56.400 0.006 0.000 0.799 25 E CB 2.064 31.771 29.700 0.011 0.000 1.172 25 E HN 0.655 nan 8.360 nan 0.000 0.404 26 A N 3.418 126.238 122.820 -0.000 0.000 2.332 26 A HA 0.410 4.730 4.320 0.000 0.000 0.258 26 A C -2.128 175.452 177.584 -0.005 0.000 1.087 26 A CA -1.099 50.932 52.037 -0.010 0.000 0.802 26 A CB -0.303 18.688 19.000 -0.016 0.000 1.042 26 A HN 0.353 nan 8.150 nan 0.000 0.489 27 P HA 0.302 nan 4.420 nan 0.000 0.270 27 P C -0.087 177.212 177.300 -0.001 0.000 1.223 27 P CA 0.085 63.181 63.100 -0.007 0.000 0.785 27 P CB 0.359 32.050 31.700 -0.015 0.000 0.923 28 A N 3.334 126.159 122.820 0.007 0.000 2.483 28 A HA 0.331 4.651 4.320 0.000 0.000 0.238 28 A C -1.927 175.666 177.584 0.015 0.000 1.070 28 A CA -0.786 51.261 52.037 0.017 0.000 0.770 28 A CB -1.551 17.461 19.000 0.020 0.000 1.008 28 A HN 0.413 nan 8.150 nan 0.000 0.497 29 P HA 0.293 nan 4.420 nan 0.000 0.268 29 P C -0.975 176.340 177.300 0.026 0.000 1.205 29 P CA 0.123 63.241 63.100 0.030 0.000 0.771 29 P CB 0.703 32.440 31.700 0.061 0.000 0.858 30 D N 0.293 120.705 120.400 0.020 0.000 2.636 30 D HA 0.438 5.078 4.640 0.000 0.000 0.275 30 D C 0.679 176.999 176.300 0.034 0.000 1.130 30 D CA -1.000 53.015 54.000 0.024 0.000 1.031 30 D CB 0.122 40.933 40.800 0.017 0.000 1.451 30 D HN 0.133 nan 8.370 nan 0.000 0.505 31 A N -0.554 122.289 122.820 0.039 0.000 2.070 31 A HA -0.128 4.192 4.320 0.000 0.000 0.220 31 A C 1.666 179.297 177.584 0.078 0.000 1.159 31 A CA 0.999 53.069 52.037 0.054 0.000 0.656 31 A CB -0.521 18.508 19.000 0.049 0.000 0.800 31 A HN 0.366 nan 8.150 nan 0.000 0.453 32 R N -0.572 119.968 120.500 0.066 0.000 2.317 32 R HA 0.109 4.450 4.340 0.000 0.000 0.208 32 R C 0.754 177.089 176.300 0.059 0.000 0.914 32 R CA -0.047 56.111 56.100 0.097 0.000 1.060 32 R CB -0.524 29.818 30.300 0.070 0.000 1.015 32 R HN 0.563 nan 8.270 nan 0.000 0.498 33 R N 1.044 121.542 120.500 -0.004 0.000 2.543 33 R HA 0.235 4.576 4.340 0.000 0.000 0.277 33 R C -0.827 175.369 176.300 -0.173 0.000 1.074 33 R CA 0.039 56.062 56.100 -0.128 0.000 1.076 33 R CB 0.917 31.121 30.300 -0.160 0.000 0.993 33 R HN -0.116 nan 8.270 nan 0.000 0.459 34 V N 5.308 125.012 119.914 -0.350 0.000 2.841 34 V HA 0.463 4.583 4.120 0.000 0.000 0.310 34 V C -1.851 173.997 176.094 -0.410 0.000 1.090 34 V CA -0.681 61.395 62.300 -0.372 0.000 0.930 34 V CB 1.895 33.265 31.823 -0.755 0.000 1.014 34 V HN 0.766 nan 8.190 nan 0.000 0.425 35 Y N 4.020 124.230 120.300 -0.149 0.000 2.377 35 Y HA 0.736 5.286 4.550 0.000 0.000 0.339 35 Y C 0.011 175.871 175.900 -0.066 0.000 1.011 35 Y CA -0.780 57.269 58.100 -0.084 0.000 1.093 35 Y CB 2.256 40.679 38.460 -0.061 0.000 1.201 35 Y HN 0.427 nan 8.280 nan 0.000 0.455 36 V N 3.737 123.729 119.914 0.130 0.000 2.444 36 V HA 0.356 4.476 4.120 0.000 0.000 0.294 36 V C -0.865 175.339 176.094 0.184 0.000 1.022 36 V CA -1.068 61.294 62.300 0.103 0.000 0.850 36 V CB 1.547 33.382 31.823 0.020 0.000 0.992 36 V HN 0.738 nan 8.190 nan 0.000 0.426 37 N N 2.615 121.387 118.700 0.120 0.000 2.430 37 N HA 0.461 5.202 4.740 0.000 0.000 0.292 37 N C -0.969 174.584 175.510 0.072 0.000 1.051 37 N CA -0.509 52.602 53.050 0.102 0.000 0.917 37 N CB 1.405 39.927 38.487 0.058 0.000 1.164 37 N HN 0.686 nan 8.380 nan 0.000 0.484 38 D N 1.917 122.369 120.400 0.086 0.000 2.464 38 D HA 0.344 4.984 4.640 0.000 0.000 0.243 38 D C -2.118 174.157 176.300 -0.043 0.000 1.104 38 D CA -2.270 51.746 54.000 0.027 0.000 0.883 38 D CB 1.328 42.227 40.800 0.165 0.000 1.050 38 D HN 0.248 nan 8.370 nan 0.000 0.524 39 P HA 0.102 nan 4.420 nan 0.000 0.237 39 P C 0.233 177.426 177.300 -0.178 0.000 1.178 39 P CA 0.588 63.590 63.100 -0.163 0.000 0.766 39 P CB 0.064 31.616 31.700 -0.246 0.000 0.876 40 A N -0.237 122.452 122.820 -0.220 0.000 2.745 40 A HA -0.250 4.070 4.320 0.000 0.000 0.296 40 A C 0.295 177.758 177.584 -0.202 0.000 1.500 40 A CA 0.980 52.910 52.037 -0.178 0.000 0.766 40 A CB -2.867 16.139 19.000 0.009 0.000 1.030 40 A HN 0.485 nan 8.150 nan 0.000 0.489 41 H N -3.140 115.770 119.070 -0.268 0.000 2.741 41 H HA -0.248 4.309 4.556 0.000 0.000 0.305 41 H C 0.604 175.774 175.328 -0.264 0.000 1.169 41 H CA 1.703 57.512 56.048 -0.398 0.000 1.144 41 H CB -2.193 27.456 29.762 -0.188 0.000 1.397 41 H HN 1.650 nan 8.280 nan 0.000 0.409 42 F N -4.291 115.697 119.950 0.063 0.000 2.795 42 F HA -0.211 4.316 4.527 0.000 0.000 0.297 42 F C 1.410 177.363 175.800 0.256 0.000 0.699 42 F CA 0.167 58.251 58.000 0.139 0.000 1.384 42 F CB -1.839 37.258 39.000 0.162 0.000 1.672 42 F HN 0.557 nan 8.300 nan 0.000 0.345 43 A N 0.406 123.388 122.820 0.271 0.000 2.406 43 A HA 0.664 4.984 4.320 0.000 0.000 0.243 43 A C 1.504 179.265 177.584 0.296 0.000 1.082 43 A CA 0.295 52.450 52.037 0.197 0.000 0.786 43 A CB 0.342 19.381 19.000 0.065 0.000 1.029 43 A HN 0.964 nan 8.150 nan 0.000 0.495 44 A N 0.593 123.506 122.820 0.155 0.000 2.067 44 A HA 0.311 4.631 4.320 0.000 0.000 0.219 44 A C 0.968 178.674 177.584 0.202 0.000 1.158 44 A CA 1.675 53.797 52.037 0.142 0.000 0.661 44 A CB -0.942 18.041 19.000 -0.027 0.000 0.801 44 A HN 1.974 nan 8.150 nan 0.000 0.452 45 V N -3.131 116.869 119.914 0.143 0.000 2.876 45 V HA 0.821 4.942 4.120 0.000 0.000 0.312 45 V C -0.527 175.625 176.094 0.097 0.000 1.085 45 V CA -0.006 62.366 62.300 0.119 0.000 0.945 45 V CB 1.449 33.325 31.823 0.088 0.000 1.017 45 V HN 0.493 nan 8.190 nan 0.000 0.428 46 T N 1.442 116.040 114.554 0.073 0.000 2.804 46 T HA 0.794 5.144 4.350 0.000 0.000 0.290 46 T C -0.819 173.887 174.700 0.010 0.000 1.099 46 T CA -0.815 61.314 62.100 0.049 0.000 1.011 46 T CB 2.218 71.099 68.868 0.022 0.000 1.291 46 T HN 0.881 nan 8.240 nan 0.000 0.523 47 Q N -0.278 119.507 119.800 -0.025 0.000 2.456 47 Q HA 0.546 4.886 4.340 0.000 0.000 0.283 47 Q C -1.511 174.371 176.000 -0.197 0.000 1.084 47 Q CA -0.846 54.852 55.803 -0.174 0.000 0.801 47 Q CB 3.020 31.547 28.738 -0.352 0.000 1.434 47 Q HN 0.735 nan 8.270 nan 0.000 0.419 48 Q N 1.417 121.032 119.800 -0.309 0.000 2.340 48 Q HA 0.512 4.852 4.340 0.000 0.000 0.268 48 Q C -1.708 174.076 176.000 -0.360 0.000 1.031 48 Q CA -0.486 55.215 55.803 -0.170 0.000 0.804 48 Q CB 1.082 29.780 28.738 -0.068 0.000 1.286 48 Q HN 0.482 nan 8.270 nan 0.000 0.448 49 F N 2.387 122.312 119.950 -0.042 0.000 2.427 49 F HA 0.421 4.948 4.527 0.000 0.000 0.346 49 F C -0.278 175.452 175.800 -0.116 0.000 1.120 49 F CA -0.790 57.160 58.000 -0.083 0.000 1.033 49 F CB 1.656 40.593 39.000 -0.105 0.000 1.126 49 F HN 0.207 nan 8.300 nan 0.000 0.462 50 V N 5.477 125.368 119.914 -0.038 0.000 2.370 50 V HA 0.451 4.571 4.120 0.000 0.000 0.279 50 V C 0.018 175.989 176.094 -0.206 0.000 1.029 50 V CA -0.591 61.561 62.300 -0.247 0.000 0.870 50 V CB 1.216 32.895 31.823 -0.241 0.000 0.984 50 V HN 0.572 nan 8.190 nan 0.000 0.451 51 I N 3.237 123.640 120.570 -0.279 0.000 2.608 51 I HA 0.378 4.548 4.170 0.000 0.000 0.295 51 I C -0.721 175.279 176.117 -0.194 0.000 1.049 51 I CA -0.609 60.576 61.300 -0.192 0.000 1.063 51 I CB 2.399 40.287 38.000 -0.186 0.000 1.248 51 I HN 0.556 nan 8.210 nan 0.000 0.424 52 D N 4.102 124.428 120.400 -0.123 0.000 2.339 52 D HA 0.211 4.851 4.640 0.000 0.000 0.241 52 D C 1.168 177.443 176.300 -0.042 0.000 1.183 52 D CA -0.129 53.821 54.000 -0.083 0.000 0.859 52 D CB 1.639 42.405 40.800 -0.056 0.000 1.067 52 D HN 0.662 nan 8.370 nan 0.000 0.484 53 G N 3.477 112.277 108.800 0.001 0.000 2.448 53 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 53 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 53 G C 1.298 176.252 174.900 0.091 0.000 1.127 53 G CA 0.527 45.697 45.100 0.117 0.000 0.766 53 G HN 0.528 nan 8.290 nan 0.000 0.552 54 E N 0.862 121.090 120.200 0.046 0.000 2.047 54 E HA 0.094 4.444 4.350 0.000 0.000 0.191 54 E C 2.593 179.196 176.600 0.006 0.000 0.987 54 E CA 1.415 57.829 56.400 0.023 0.000 0.799 54 E CB -0.380 29.328 29.700 0.013 0.000 0.752 54 E HN 0.268 nan 8.360 nan 0.000 0.449 55 A N -0.752 122.065 122.820 -0.005 0.000 2.081 55 A HA 0.357 4.677 4.320 0.000 0.000 0.214 55 A C 1.606 179.178 177.584 -0.021 0.000 1.158 55 A CA 0.811 52.839 52.037 -0.015 0.000 0.724 55 A CB -0.425 18.562 19.000 -0.021 0.000 0.826 55 A HN 0.471 nan 8.150 nan 0.000 0.463 56 G N -0.495 108.294 108.800 -0.020 0.000 2.256 56 G HA2 -0.239 3.721 3.960 0.000 0.000 0.272 56 G HA3 -0.239 3.721 3.960 0.000 0.000 0.272 56 G C 0.015 174.882 174.900 -0.054 0.000 1.076 56 G CA 0.525 45.604 45.100 -0.034 0.000 0.882 56 G HN 0.861 nan 8.290 nan 0.000 0.497 57 R N -0.544 119.924 120.500 -0.055 0.000 2.686 57 R HA 0.618 4.958 4.340 0.000 0.000 0.286 57 R C -0.132 176.131 176.300 -0.061 0.000 0.969 57 R CA -0.830 55.237 56.100 -0.055 0.000 0.898 57 R CB 1.739 32.014 30.300 -0.043 0.000 1.183 57 R HN 0.140 nan 8.270 nan 0.000 0.456 58 V N 6.731 126.615 119.914 -0.049 0.000 2.470 58 V HA 0.090 4.210 4.120 0.000 0.000 0.276 58 V C 1.302 177.375 176.094 -0.034 0.000 1.040 58 V CA 0.109 62.391 62.300 -0.029 0.000 1.008 58 V CB 0.867 32.702 31.823 0.021 0.000 0.990 58 V HN 0.762 nan 8.190 nan 0.000 0.477 59 I N 1.982 122.518 120.570 -0.056 0.000 3.956 59 I HA 0.686 4.856 4.170 0.000 0.000 0.333 59 I C 0.747 176.831 176.117 -0.056 0.000 1.302 59 I CA 0.241 61.508 61.300 -0.057 0.000 1.122 59 I CB 0.373 38.331 38.000 -0.069 0.000 1.013 59 I HN 0.635 nan 8.210 nan 0.000 0.405 60 G N 1.051 109.814 108.800 -0.060 0.000 2.356 60 G HA2 0.580 4.540 3.960 0.000 0.000 0.294 60 G HA3 0.580 4.540 3.960 0.000 0.000 0.294 60 G C -1.579 173.259 174.900 -0.104 0.000 1.423 60 G CA -0.813 44.243 45.100 -0.073 0.000 0.806 60 G HN 0.046 nan 8.290 nan 0.000 0.527 61 M N -0.249 119.261 119.600 -0.150 0.000 2.622 61 M HA 0.627 5.107 4.480 0.000 0.000 0.276 61 M C -1.267 174.877 176.300 -0.260 0.000 1.265 61 M CA -0.675 54.474 55.300 -0.251 0.000 0.850 61 M CB 3.032 35.440 32.600 -0.319 0.000 1.720 61 M HN 0.382 nan 8.290 nan 0.000 0.465 62 I N 0.720 121.105 120.570 -0.309 0.000 2.569 62 I HA 0.318 4.488 4.170 0.000 0.000 0.290 62 I C -1.317 174.680 176.117 -0.200 0.000 1.088 62 I CA -0.811 60.288 61.300 -0.335 0.000 1.047 62 I CB 2.352 40.026 38.000 -0.544 0.000 1.237 62 I HN 0.539 nan 8.210 nan 0.000 0.421 63 D N 3.945 124.293 120.400 -0.086 0.000 2.264 63 D HA 0.605 5.245 4.640 0.000 0.000 0.249 63 D C 0.061 176.458 176.300 0.162 0.000 1.070 63 D CA 0.219 54.226 54.000 0.013 0.000 0.912 63 D CB 2.280 43.104 40.800 0.040 0.000 1.193 63 D HN 0.749 nan 8.370 nan 0.000 0.427 64 G N -0.625 108.244 108.800 0.114 0.000 2.694 64 G HA2 0.585 4.546 3.960 0.000 0.000 0.290 64 G HA3 0.585 4.546 3.960 0.000 0.000 0.290 64 G C 0.048 174.979 174.900 0.052 0.000 1.386 64 G CA -0.545 44.600 45.100 0.075 0.000 0.872 64 G HN 0.437 nan 8.290 nan 0.000 0.475 65 G N -0.856 107.951 108.800 0.011 0.000 2.975 65 G HA2 0.435 4.395 3.960 0.000 0.000 0.159 65 G HA3 0.435 4.395 3.960 0.000 0.000 0.159 65 G C -0.639 174.358 174.900 0.162 0.000 1.525 65 G CA -0.575 44.594 45.100 0.115 0.000 1.075 65 G HN 0.551 nan 8.290 nan 0.000 0.574 66 F N 1.016 120.994 119.950 0.046 0.000 2.438 66 F HA 0.444 4.971 4.527 0.000 0.000 0.356 66 F C 0.947 176.750 175.800 0.006 0.000 1.099 66 F CA -1.069 56.975 58.000 0.074 0.000 1.185 66 F CB -0.001 39.121 39.000 0.204 0.000 1.115 66 F HN 0.275 nan 8.300 nan 0.000 0.526 67 L N 5.862 126.878 121.223 -0.344 0.000 3.879 67 L HA -0.212 4.129 4.340 0.000 0.000 0.481 67 L C -2.216 174.495 176.870 -0.265 0.000 1.232 67 L CA -0.477 54.126 54.840 -0.395 0.000 0.736 67 L CB -1.630 40.017 42.059 -0.687 0.000 1.511 67 L HN 0.437 nan 8.230 nan 0.000 0.830 68 P HA 0.119 nan 4.420 nan 0.000 0.274 68 P C -0.395 176.811 177.300 -0.157 0.000 1.237 68 P CA -0.168 62.788 63.100 -0.239 0.000 0.793 68 P CB 0.695 32.198 31.700 -0.328 0.000 0.977 69 N N 2.084 120.702 118.700 -0.137 0.000 2.444 69 N HA 0.316 5.056 4.740 0.000 0.000 0.262 69 N C -2.475 173.023 175.510 -0.020 0.000 0.974 69 N CA -1.297 51.710 53.050 -0.071 0.000 0.933 69 N CB 1.579 40.031 38.487 -0.060 0.000 1.137 69 N HN 0.319 nan 8.380 nan 0.000 0.498 70 P HA 0.309 nan 4.420 nan 0.000 0.287 70 P C -0.678 176.578 177.300 -0.073 0.000 1.270 70 P CA -0.502 62.597 63.100 -0.002 0.000 0.844 70 P CB 1.632 33.314 31.700 -0.031 0.000 1.068 71 V N -0.826 119.046 119.914 -0.070 0.000 3.049 71 V HA 0.774 4.894 4.120 0.000 0.000 0.309 71 V C -1.078 174.906 176.094 -0.183 0.000 1.148 71 V CA -1.033 61.199 62.300 -0.114 0.000 0.990 71 V CB 2.106 33.912 31.823 -0.028 0.000 1.039 71 V HN 0.258 nan 8.190 nan 0.000 0.430 72 V N 1.968 121.738 119.914 -0.240 0.000 2.668 72 V HA 0.796 4.916 4.120 0.000 0.000 0.304 72 V C 0.551 176.441 176.094 -0.340 0.000 1.071 72 V CA -0.133 61.958 62.300 -0.349 0.000 0.894 72 V CB 1.738 33.320 31.823 -0.402 0.000 1.008 72 V HN 1.528 nan 8.190 nan 0.000 0.425 73 A N 2.559 125.026 122.820 -0.588 0.000 2.488 73 A HA 0.238 4.558 4.320 0.000 0.000 0.249 73 A C 1.054 178.482 177.584 -0.259 0.000 1.083 73 A CA -0.047 51.644 52.037 -0.577 0.000 0.768 73 A CB -0.018 18.369 19.000 -1.022 0.000 1.017 73 A HN 0.885 nan 8.150 nan 0.000 0.496 74 D N 1.396 121.718 120.400 -0.131 0.000 2.218 74 D HA -0.153 4.487 4.640 0.000 0.000 0.204 74 D C 1.096 177.371 176.300 -0.042 0.000 0.976 74 D CA 1.792 55.760 54.000 -0.054 0.000 0.853 74 D CB 0.035 40.827 40.800 -0.013 0.000 0.939 74 D HN 0.818 nan 8.370 nan 0.000 0.481 75 D N -0.862 119.505 120.400 -0.055 0.000 2.340 75 D HA 0.054 4.695 4.640 0.000 0.000 0.220 75 D C 1.496 177.786 176.300 -0.017 0.000 1.039 75 D CA 0.818 54.807 54.000 -0.018 0.000 0.866 75 D CB -0.246 40.558 40.800 0.008 0.000 0.913 75 D HN 0.169 nan 8.370 nan 0.000 0.523 76 G N 0.410 109.178 108.800 -0.053 0.000 2.155 76 G HA2 -0.368 3.592 3.960 0.000 0.000 0.257 76 G HA3 -0.368 3.592 3.960 0.000 0.000 0.257 76 G C 1.130 176.032 174.900 0.004 0.000 0.983 76 G CA 0.954 46.042 45.100 -0.019 0.000 0.676 76 G HN 0.644 nan 8.290 nan 0.000 0.528 77 S N -0.857 114.840 115.700 -0.005 0.000 2.461 77 S HA 0.494 4.965 4.470 0.000 0.000 0.228 77 S C 0.678 175.421 174.600 0.239 0.000 1.005 77 S CA 1.168 59.441 58.200 0.120 0.000 0.942 77 S CB -0.250 63.069 63.200 0.199 0.000 0.776 77 S HN 1.901 nan 8.310 nan 0.000 0.514 78 F N -0.293 119.686 119.950 0.048 0.000 2.807 78 F HA 0.745 5.272 4.527 0.000 0.000 0.316 78 F C -1.542 174.275 175.800 0.028 0.000 1.162 78 F CA -2.001 56.029 58.000 0.049 0.000 0.910 78 F CB 0.900 39.923 39.000 0.038 0.000 1.314 78 F HN 0.085 nan 8.300 nan 0.000 0.454 79 I N 0.034 120.788 120.570 0.308 0.000 2.934 79 I HA 1.046 5.216 4.170 0.000 0.000 0.306 79 I C -1.091 175.237 176.117 0.351 0.000 1.110 79 I CA -1.138 60.235 61.300 0.121 0.000 1.019 79 I CB 1.892 39.844 38.000 -0.081 0.000 1.227 79 I HN 1.206 nan 8.210 nan 0.000 0.434 80 A N 2.705 125.661 122.820 0.227 0.000 2.588 80 A HA 0.873 5.193 4.320 0.000 0.000 0.290 80 A C -1.512 176.177 177.584 0.176 0.000 1.136 80 A CA -0.542 51.630 52.037 0.225 0.000 0.681 80 A CB 1.658 20.806 19.000 0.246 0.000 1.282 80 A HN 1.143 nan 8.150 nan 0.000 0.421 81 H N -1.475 117.674 119.070 0.131 0.000 3.037 81 H HA 0.797 5.353 4.556 0.000 0.000 0.355 81 H C -0.665 174.605 175.328 -0.096 0.000 1.263 81 H CA -0.686 55.375 56.048 0.021 0.000 1.129 81 H CB 1.776 31.558 29.762 0.033 0.000 1.861 81 H HN 1.108 nan 8.280 nan 0.000 0.546 82 A N 1.834 124.620 122.820 -0.057 0.000 2.292 82 A HA 0.582 4.902 4.320 0.000 0.000 0.319 82 A C -0.276 177.012 177.584 -0.493 0.000 1.206 82 A CA -0.185 51.674 52.037 -0.297 0.000 0.835 82 A CB 1.377 20.201 19.000 -0.294 0.000 1.164 82 A HN 0.689 nan 8.150 nan 0.000 0.505 83 S N 0.544 115.768 115.700 -0.793 0.000 2.671 83 S HA 0.859 5.329 4.470 0.000 0.000 0.277 83 S C -0.831 173.346 174.600 -0.706 0.000 1.165 83 S CA -0.328 57.378 58.200 -0.824 0.000 0.822 83 S CB 1.836 64.367 63.200 -1.116 0.000 1.150 83 S HN 0.861 nan 8.310 nan 0.000 0.479 84 T N 1.559 115.933 114.554 -0.300 0.000 2.971 84 T HA 0.631 4.982 4.350 0.000 0.000 0.304 84 T C -0.896 173.798 174.700 -0.009 0.000 1.038 84 T CA -0.502 61.519 62.100 -0.131 0.000 1.007 84 T CB 1.204 70.035 68.868 -0.061 0.000 1.055 84 T HN 1.041 nan 8.240 nan 0.000 0.451 85 V N 0.264 120.120 119.914 -0.096 0.000 3.074 85 V HA 0.940 5.060 4.120 0.000 0.000 0.314 85 V C -1.493 174.344 176.094 -0.428 0.000 1.117 85 V CA -1.160 61.098 62.300 -0.069 0.000 1.014 85 V CB 1.753 33.611 31.823 0.059 0.000 1.057 85 V HN 0.712 nan 8.190 nan 0.000 0.438 86 F N 0.419 120.378 119.950 0.014 0.000 2.577 86 F HA 0.616 5.144 4.527 0.000 0.000 0.318 86 F C 1.531 177.321 175.800 -0.017 0.000 1.065 86 F CA -0.140 57.852 58.000 -0.013 0.000 0.929 86 F CB 2.436 41.408 39.000 -0.046 0.000 1.237 86 F HN 0.685 nan 8.300 nan 0.000 0.468 87 S N 0.385 116.175 115.700 0.149 0.000 2.474 87 S HA 0.031 4.501 4.470 0.000 0.000 0.235 87 S C 0.852 175.493 174.600 0.069 0.000 0.997 87 S CA 0.737 58.981 58.200 0.073 0.000 0.949 87 S CB -0.135 63.090 63.200 0.041 0.000 0.766 87 S HN 0.510 nan 8.310 nan 0.000 0.517 88 R N 0.362 120.916 120.500 0.090 0.000 2.738 88 R HA 0.486 4.826 4.340 0.000 0.000 0.280 88 R C -0.134 176.179 176.300 0.021 0.000 1.456 88 R CA -0.085 56.039 56.100 0.040 0.000 1.612 88 R CB -0.600 29.708 30.300 0.014 0.000 1.286 88 R HN 0.359 nan 8.270 nan 0.000 0.660 89 I N -0.327 120.273 120.570 0.050 0.000 4.713 89 I HA -0.478 3.693 4.170 0.000 0.000 0.044 89 I C 1.046 177.146 176.117 -0.029 0.000 0.627 89 I CA 2.498 63.811 61.300 0.022 0.000 0.714 89 I CB -1.093 36.892 38.000 -0.025 0.000 0.668 89 I HN 0.440 nan 8.210 nan 0.000 0.156 90 A N 0.789 123.496 122.820 -0.190 0.000 2.635 90 A HA 0.628 4.948 4.320 0.000 0.000 0.279 90 A C 0.532 177.688 177.584 -0.715 0.000 1.122 90 A CA 0.377 52.081 52.037 -0.554 0.000 0.965 90 A CB 0.103 18.838 19.000 -0.441 0.000 1.221 90 A HN 0.577 nan 8.150 nan 0.000 0.566 91 R N -2.867 117.437 120.500 -0.326 0.000 2.870 91 R HA 0.777 5.117 4.340 0.000 0.000 0.262 91 R C 0.505 176.830 176.300 0.041 0.000 1.112 91 R CA -0.292 55.697 56.100 -0.186 0.000 0.976 91 R CB 0.023 30.237 30.300 -0.144 0.000 1.261 91 R HN 1.347 nan 8.270 nan 0.000 0.453 92 G N 0.439 109.277 108.800 0.063 0.000 2.545 92 G HA2 -0.235 3.726 3.960 0.000 0.000 0.216 92 G HA3 -0.235 3.726 3.960 0.000 0.000 0.216 92 G C -1.000 173.988 174.900 0.147 0.000 1.314 92 G CA 0.070 45.223 45.100 0.089 0.000 0.906 92 G HN 0.936 nan 8.290 nan 0.000 0.563 93 E N 0.464 120.724 120.200 0.101 0.000 2.344 93 E HA 0.362 4.712 4.350 0.000 0.000 0.270 93 E C 0.696 177.319 176.600 0.039 0.000 1.021 93 E CA -0.335 56.103 56.400 0.063 0.000 0.887 93 E CB 0.421 30.132 29.700 0.017 0.000 0.997 93 E HN 0.634 nan 8.360 nan 0.000 0.429 94 R N 2.879 123.368 120.500 -0.018 0.000 2.404 94 R HA 0.269 4.609 4.340 0.000 0.000 0.291 94 R C -1.145 175.010 176.300 -0.242 0.000 1.025 94 R CA -0.213 55.714 56.100 -0.288 0.000 0.991 94 R CB 1.278 31.458 30.300 -0.200 0.000 1.053 94 R HN 0.427 nan 8.270 nan 0.000 0.479 95 T N 3.598 117.969 114.554 -0.304 0.000 2.890 95 T HA 0.219 4.570 4.350 0.000 0.000 0.295 95 T C -1.462 173.193 174.700 -0.075 0.000 0.993 95 T CA -0.787 61.227 62.100 -0.142 0.000 0.979 95 T CB 1.338 70.149 68.868 -0.095 0.000 0.967 95 T HN 0.526 nan 8.240 nan 0.000 0.441 96 D N 2.591 122.939 120.400 -0.086 0.000 2.175 96 D HA 0.603 5.243 4.640 0.000 0.000 0.248 96 D C -0.456 175.817 176.300 -0.044 0.000 1.047 96 D CA 0.101 54.018 54.000 -0.139 0.000 0.883 96 D CB 1.088 41.745 40.800 -0.239 0.000 1.180 96 D HN 0.608 nan 8.370 nan 0.000 0.438 97 Y N -1.739 118.424 120.300 -0.227 0.000 2.689 97 Y HA 0.633 5.183 4.550 0.000 0.000 0.333 97 Y C -1.694 174.113 175.900 -0.154 0.000 1.208 97 Y CA -1.272 56.718 58.100 -0.183 0.000 1.055 97 Y CB 0.586 38.972 38.460 -0.124 0.000 1.304 97 Y HN 0.088 nan 8.280 nan 0.000 0.455 98 V N 1.667 121.566 119.914 -0.024 0.000 2.555 98 V HA 0.493 4.614 4.120 0.000 0.000 0.302 98 V C -0.719 175.439 176.094 0.107 0.000 1.038 98 V CA -0.701 61.579 62.300 -0.033 0.000 0.887 98 V CB 1.652 33.456 31.823 -0.032 0.000 0.991 98 V HN 0.822 nan 8.190 nan 0.000 0.434 99 E N 2.258 122.524 120.200 0.109 0.000 2.248 99 E HA 0.634 4.984 4.350 0.000 0.000 0.267 99 E C -1.572 174.809 176.600 -0.364 0.000 0.877 99 E CA -0.573 55.743 56.400 -0.140 0.000 0.759 99 E CB 2.691 32.251 29.700 -0.233 0.000 1.182 99 E HN 0.423 nan 8.360 nan 0.000 0.418 100 V N 3.683 123.321 119.914 -0.460 0.000 2.547 100 V HA 0.491 4.612 4.120 0.000 0.000 0.299 100 V C -0.834 174.953 176.094 -0.511 0.000 1.040 100 V CA -0.525 61.574 62.300 -0.335 0.000 0.913 100 V CB 0.812 32.472 31.823 -0.271 0.000 0.992 100 V HN 0.517 nan 8.190 nan 0.000 0.449 101 F N 1.473 121.428 119.950 0.009 0.000 2.563 101 F HA 0.409 4.936 4.527 0.000 0.000 0.316 101 F C 0.244 176.080 175.800 0.060 0.000 1.076 101 F CA -0.798 57.208 58.000 0.009 0.000 0.921 101 F CB 1.488 40.474 39.000 -0.023 0.000 1.209 101 F HN 0.444 nan 8.300 nan 0.000 0.462 102 D N 3.602 124.142 120.400 0.233 0.000 2.389 102 D HA 0.129 4.769 4.640 0.000 0.000 0.247 102 D C -1.829 174.579 176.300 0.180 0.000 1.128 102 D CA -1.570 52.535 54.000 0.175 0.000 0.884 102 D CB 1.937 42.806 40.800 0.116 0.000 1.194 102 D HN 0.175 nan 8.370 nan 0.000 0.441 103 P HA -0.055 nan 4.420 nan 0.000 0.236 103 P C 1.200 178.556 177.300 0.093 0.000 1.177 103 P CA 0.375 63.559 63.100 0.140 0.000 0.773 103 P CB 0.252 32.036 31.700 0.140 0.000 0.878 104 V N -1.903 118.057 119.914 0.078 0.000 2.908 104 V HA 0.046 4.166 4.120 0.000 0.000 0.240 104 V C 2.047 178.166 176.094 0.042 0.000 1.117 104 V CA 1.740 64.070 62.300 0.049 0.000 1.133 104 V CB -1.111 30.736 31.823 0.040 0.000 0.857 104 V HN 0.133 nan 8.190 nan 0.000 0.478 105 T N -2.022 112.565 114.554 0.056 0.000 3.067 105 T HA 0.230 4.580 4.350 0.000 0.000 0.257 105 T C 1.312 176.047 174.700 0.058 0.000 1.105 105 T CA 0.746 62.876 62.100 0.049 0.000 1.104 105 T CB -0.269 68.630 68.868 0.052 0.000 0.925 105 T HN 0.634 nan 8.240 nan 0.000 0.498 106 L N -0.561 120.713 121.223 0.084 0.000 4.696 106 L HA -0.133 4.207 4.340 0.000 0.000 0.425 106 L C -0.020 176.966 176.870 0.192 0.000 1.115 106 L CA 0.057 54.951 54.840 0.090 0.000 0.996 106 L CB -2.032 40.020 42.059 -0.012 0.000 2.077 106 L HN 0.411 nan 8.230 nan 0.000 0.792 107 L N 0.957 122.291 121.223 0.184 0.000 2.375 107 L HA 0.420 4.760 4.340 0.000 0.000 0.271 107 L C -1.744 175.245 176.870 0.198 0.000 1.107 107 L CA -1.758 53.191 54.840 0.181 0.000 0.806 107 L CB 0.656 42.767 42.059 0.087 0.000 1.146 107 L HN -0.256 nan 8.230 nan 0.000 0.447 108 P HA 0.088 nan 4.420 nan 0.000 0.276 108 P C 0.217 177.428 177.300 -0.148 0.000 1.230 108 P CA -0.270 62.688 63.100 -0.238 0.000 0.776 108 P CB 0.811 32.337 31.700 -0.291 0.000 0.888 109 T N -0.796 113.647 114.554 -0.184 0.000 3.023 109 T HA 0.573 4.923 4.350 0.000 0.000 0.253 109 T C 0.409 175.028 174.700 -0.136 0.000 1.038 109 T CA -0.063 61.968 62.100 -0.116 0.000 0.962 109 T CB 0.138 68.957 68.868 -0.081 0.000 1.018 109 T HN 0.526 nan 8.240 nan 0.000 0.521 110 A N 0.740 123.446 122.820 -0.191 0.000 2.594 110 A HA 0.620 4.941 4.320 0.000 0.000 0.296 110 A C -2.146 175.344 177.584 -0.157 0.000 1.061 110 A CA -0.695 51.252 52.037 -0.149 0.000 0.689 110 A CB 1.594 20.510 19.000 -0.141 0.000 1.280 110 A HN 0.137 nan 8.150 nan 0.000 0.406 111 D N 1.982 122.325 120.400 -0.096 0.000 2.479 111 D HA 0.482 5.122 4.640 0.000 0.000 0.246 111 D C -1.419 174.871 176.300 -0.017 0.000 1.336 111 D CA 0.018 53.984 54.000 -0.056 0.000 0.967 111 D CB 0.798 41.541 40.800 -0.095 0.000 1.275 111 D HN 0.440 nan 8.370 nan 0.000 0.577 112 I N 2.756 123.343 120.570 0.028 0.000 2.354 112 I HA 0.228 4.399 4.170 0.000 0.000 0.286 112 I C 0.782 176.927 176.117 0.046 0.000 1.007 112 I CA -0.714 60.606 61.300 0.034 0.000 1.167 112 I CB 1.688 39.713 38.000 0.041 0.000 1.320 112 I HN 0.151 nan 8.210 nan 0.000 0.458 113 E N 6.073 126.286 120.200 0.023 0.000 2.398 113 E HA 0.283 4.633 4.350 0.000 0.000 0.263 113 E C -0.891 175.654 176.600 -0.092 0.000 1.046 113 E CA -0.232 56.163 56.400 -0.008 0.000 0.908 113 E CB 0.992 30.677 29.700 -0.024 0.000 0.963 113 E HN 0.466 nan 8.360 nan 0.000 0.431 114 L N 5.982 127.086 121.223 -0.200 0.000 2.356 114 L HA 0.348 4.689 4.340 0.000 0.000 0.264 114 L C -2.223 174.445 176.870 -0.337 0.000 1.029 114 L CA -2.240 52.326 54.840 -0.456 0.000 0.897 114 L CB 0.734 42.456 42.059 -0.563 0.000 1.256 114 L HN 0.265 nan 8.230 nan 0.000 0.444 115 P HA 0.034 nan 4.420 nan 0.000 0.269 115 P C 0.068 177.300 177.300 -0.113 0.000 1.215 115 P CA 0.169 63.193 63.100 -0.126 0.000 0.780 115 P CB 0.583 32.261 31.700 -0.037 0.000 0.898 116 D N 1.286 121.650 120.400 -0.058 0.000 2.907 116 D HA -0.186 4.455 4.640 0.000 0.000 0.226 116 D C -0.150 176.133 176.300 -0.030 0.000 1.141 116 D CA 1.219 55.202 54.000 -0.028 0.000 0.779 116 D CB -1.840 38.961 40.800 0.001 0.000 1.095 116 D HN 0.689 nan 8.370 nan 0.000 0.430 117 A N -0.883 121.904 122.820 -0.055 0.000 2.154 117 A HA -0.167 4.153 4.320 0.000 0.000 0.274 117 A C -0.985 176.601 177.584 0.003 0.000 1.373 117 A CA 0.908 52.921 52.037 -0.040 0.000 0.751 117 A CB -0.620 18.378 19.000 -0.003 0.000 1.149 117 A HN 0.391 nan 8.150 nan 0.000 0.337 118 P HA 0.035 nan 4.420 nan 0.000 0.257 118 P C 0.479 177.898 177.300 0.199 0.000 1.241 118 P CA 0.199 63.367 63.100 0.113 0.000 0.816 118 P CB 0.248 32.075 31.700 0.212 0.000 1.150 119 R N 0.147 120.700 120.500 0.088 0.000 2.643 119 R HA 0.210 4.550 4.340 0.000 0.000 0.270 119 R C -0.016 176.447 176.300 0.272 0.000 1.061 119 R CA -0.445 55.737 56.100 0.137 0.000 1.107 119 R CB 0.122 30.388 30.300 -0.056 0.000 0.999 119 R HN 0.003 nan 8.270 nan 0.000 0.460 120 F N 4.068 124.104 119.950 0.144 0.000 2.421 120 F HA 0.214 4.741 4.527 0.000 0.000 0.358 120 F C -0.518 175.304 175.800 0.038 0.000 1.115 120 F CA -1.178 56.912 58.000 0.150 0.000 1.160 120 F CB 0.225 39.394 39.000 0.282 0.000 1.123 120 F HN 0.272 nan 8.300 nan 0.000 0.508 121 L N 8.069 129.325 121.223 0.055 0.000 2.268 121 L HA 0.547 4.887 4.340 0.000 0.000 0.289 121 L C -0.282 176.267 176.870 -0.535 0.000 1.064 121 L CA -0.583 54.124 54.840 -0.222 0.000 0.824 121 L CB 0.841 42.907 42.059 0.011 0.000 1.202 121 L HN 0.496 nan 8.230 nan 0.000 0.433 122 V N 2.374 121.879 119.914 -0.682 0.000 3.178 122 V HA 0.680 4.800 4.120 0.000 0.000 0.302 122 V C 0.228 176.058 176.094 -0.441 0.000 1.262 122 V CA -0.450 61.422 62.300 -0.714 0.000 1.030 122 V CB 2.307 33.337 31.823 -1.320 0.000 1.074 122 V HN 0.699 nan 8.190 nan 0.000 0.438 123 G N 2.102 110.814 108.800 -0.146 0.000 2.368 123 G HA2 0.279 4.239 3.960 0.000 0.000 0.233 123 G HA3 0.279 4.239 3.960 0.000 0.000 0.233 123 G C 0.154 175.075 174.900 0.035 0.000 1.267 123 G CA 0.563 45.766 45.100 0.173 0.000 0.873 123 G HN 1.051 nan 8.290 nan 0.000 0.539 124 T N 2.721 117.416 114.554 0.234 0.000 2.793 124 T HA 0.144 4.494 4.350 0.000 0.000 0.289 124 T C -0.685 174.284 174.700 0.448 0.000 0.956 124 T CA 0.672 62.892 62.100 0.201 0.000 1.177 124 T CB -0.091 68.890 68.868 0.189 0.000 0.897 124 T HN 0.298 nan 8.240 nan 0.000 0.533 125 Y N 4.122 124.453 120.300 0.051 0.000 2.334 125 Y HA 0.338 4.888 4.550 0.000 0.000 0.336 125 Y C -1.799 174.053 175.900 -0.078 0.000 0.960 125 Y CA -3.515 54.508 58.100 -0.130 0.000 1.164 125 Y CB 1.038 39.356 38.460 -0.237 0.000 1.155 125 Y HN 0.429 nan 8.280 nan 0.000 0.478 126 P HA -0.164 nan 4.420 nan 0.000 0.216 126 P C 0.506 177.556 177.300 -0.417 0.000 1.153 126 P CA 1.792 64.752 63.100 -0.233 0.000 0.858 126 P CB 0.122 31.586 31.700 -0.394 0.000 0.789 127 W N -1.746 119.630 121.300 0.127 0.000 3.466 127 W HA 0.184 4.844 4.660 0.000 0.000 0.323 127 W C 1.480 177.965 176.519 -0.056 0.000 1.264 127 W CA -0.029 57.337 57.345 0.035 0.000 1.750 127 W CB -0.669 28.768 29.460 -0.039 0.000 1.040 127 W HN -0.099 nan 8.180 nan 0.000 0.742 128 M N -0.415 119.228 119.600 0.072 0.000 2.495 128 M HA 0.171 4.651 4.480 0.000 0.000 0.237 128 M C -0.059 176.312 176.300 0.119 0.000 1.131 128 M CA 0.961 56.298 55.300 0.061 0.000 1.032 128 M CB -0.374 32.276 32.600 0.083 0.000 1.513 128 M HN -0.332 nan 8.290 nan 0.000 0.488 129 T N 0.194 114.788 114.554 0.067 0.000 3.237 129 T HA 0.478 4.828 4.350 0.000 0.000 0.319 129 T C -0.688 174.041 174.700 0.049 0.000 1.037 129 T CA -0.430 61.725 62.100 0.092 0.000 1.048 129 T CB 2.120 71.032 68.868 0.072 0.000 1.081 129 T HN -0.005 nan 8.240 nan 0.000 0.455 130 S N 2.184 117.952 115.700 0.113 0.000 2.579 130 S HA 0.701 5.172 4.470 0.000 0.000 0.272 130 S C -1.071 173.652 174.600 0.205 0.000 1.141 130 S CA -0.908 57.400 58.200 0.179 0.000 0.843 130 S CB 1.326 64.746 63.200 0.365 0.000 1.122 130 S HN 0.532 nan 8.310 nan 0.000 0.468 131 L N 2.083 123.456 121.223 0.250 0.000 2.334 131 L HA 0.531 4.871 4.340 0.000 0.000 0.275 131 L C 0.795 177.834 176.870 0.282 0.000 1.036 131 L CA -0.728 54.263 54.840 0.250 0.000 0.807 131 L CB 1.643 43.836 42.059 0.223 0.000 1.231 131 L HN 0.838 nan 8.230 nan 0.000 0.438 132 T N -1.277 113.436 114.554 0.266 0.000 2.828 132 T HA 0.187 4.537 4.350 0.000 0.000 0.290 132 T C -1.951 172.885 174.700 0.225 0.000 1.019 132 T CA -1.551 60.709 62.100 0.268 0.000 1.031 132 T CB 0.832 69.857 68.868 0.261 0.000 1.001 132 T HN 0.359 nan 8.240 nan 0.000 0.531 133 P HA -0.081 nan 4.420 nan 0.000 0.219 133 P C 1.046 178.424 177.300 0.131 0.000 1.146 133 P CA 1.055 64.247 63.100 0.152 0.000 0.808 133 P CB -0.109 31.670 31.700 0.133 0.000 0.779 134 D N -1.700 118.783 120.400 0.139 0.000 2.347 134 D HA 0.028 4.668 4.640 0.000 0.000 0.215 134 D C 1.535 177.933 176.300 0.164 0.000 0.976 134 D CA 0.942 55.019 54.000 0.127 0.000 0.884 134 D CB -1.113 39.752 40.800 0.109 0.000 0.915 134 D HN 0.225 nan 8.370 nan 0.000 0.526 135 G N 0.614 109.539 108.800 0.208 0.000 2.184 135 G HA2 -0.384 3.577 3.960 0.000 0.000 0.264 135 G HA3 -0.384 3.577 3.960 0.000 0.000 0.264 135 G C 1.030 176.110 174.900 0.300 0.000 0.975 135 G CA 0.565 45.860 45.100 0.324 0.000 0.642 135 G HN 0.481 nan 8.290 nan 0.000 0.536 136 K N -0.315 120.201 120.400 0.192 0.000 2.356 136 K HA 0.193 4.513 4.320 0.000 0.000 0.195 136 K C 0.483 177.157 176.600 0.124 0.000 1.037 136 K CA 1.017 57.378 56.287 0.124 0.000 1.014 136 K CB 0.455 33.013 32.500 0.096 0.000 0.815 136 K HN 0.345 nan 8.250 nan 0.000 0.507 137 T N 0.949 115.608 114.554 0.176 0.000 2.893 137 T HA 0.413 4.763 4.350 0.000 0.000 0.293 137 T C -1.452 173.366 174.700 0.197 0.000 1.027 137 T CA -0.691 61.518 62.100 0.182 0.000 0.988 137 T CB 2.116 71.127 68.868 0.238 0.000 1.043 137 T HN 0.005 nan 8.240 nan 0.000 0.461 138 L N 3.659 124.989 121.223 0.178 0.000 2.341 138 L HA 0.735 5.075 4.340 0.000 0.000 0.278 138 L C -1.607 175.365 176.870 0.170 0.000 1.005 138 L CA -0.822 54.130 54.840 0.187 0.000 0.818 138 L CB 0.765 42.937 42.059 0.189 0.000 1.259 138 L HN 0.570 nan 8.230 nan 0.000 0.418 139 L N 5.376 126.663 121.223 0.107 0.000 2.346 139 L HA 0.635 4.975 4.340 0.000 0.000 0.274 139 L C -0.917 175.999 176.870 0.077 0.000 1.007 139 L CA -0.682 54.130 54.840 -0.046 0.000 0.818 139 L CB 1.704 43.589 42.059 -0.291 0.000 1.284 139 L HN 0.599 nan 8.230 nan 0.000 0.424 140 F N 0.530 120.450 119.950 -0.051 0.000 2.613 140 F HA 0.535 5.063 4.527 0.000 0.000 0.310 140 F C -1.212 174.623 175.800 0.059 0.000 1.085 140 F CA -1.278 56.733 58.000 0.018 0.000 0.945 140 F CB 1.000 40.018 39.000 0.029 0.000 1.298 140 F HN 0.272 nan 8.300 nan 0.000 0.455 141 Y N 2.416 122.790 120.300 0.122 0.000 2.308 141 Y HA 0.412 4.962 4.550 0.000 0.000 0.329 141 Y C -0.345 175.655 175.900 0.166 0.000 1.111 141 Y CA -0.322 57.803 58.100 0.042 0.000 1.179 141 Y CB 1.241 39.765 38.460 0.107 0.000 1.201 141 Y HN 0.859 nan 8.280 nan 0.000 0.483 142 Q N 5.531 125.004 119.800 -0.545 0.000 2.316 142 Q HA 0.220 4.560 4.340 0.000 0.000 0.264 142 Q C -0.942 174.592 176.000 -0.777 0.000 0.987 142 Q CA -0.531 55.051 55.803 -0.370 0.000 0.852 142 Q CB 1.025 29.630 28.738 -0.222 0.000 1.287 142 Q HN 0.898 nan 8.270 nan 0.000 0.448 143 F N 2.198 121.762 119.950 -0.643 0.000 2.505 143 F HA 0.326 4.853 4.527 0.000 0.000 0.289 143 F C 0.207 175.817 175.800 -0.316 0.000 1.101 143 F CA 0.281 57.885 58.000 -0.659 0.000 1.446 143 F CB 0.984 39.416 39.000 -0.947 0.000 1.123 143 F HN 0.454 nan 8.300 nan 0.000 0.564 144 S N 0.059 115.679 115.700 -0.133 0.000 2.569 144 S HA 0.439 4.909 4.470 0.000 0.000 0.280 144 S C -1.987 172.572 174.600 -0.069 0.000 1.111 144 S CA -1.336 56.777 58.200 -0.146 0.000 0.887 144 S CB 1.417 64.635 63.200 0.029 0.000 1.095 144 S HN -0.044 nan 8.310 nan 0.000 0.476 145 P HA 0.186 nan 4.420 nan 0.000 0.220 145 P C 0.136 177.332 177.300 -0.173 0.000 1.148 145 P CA 0.832 63.873 63.100 -0.097 0.000 0.803 145 P CB 0.013 31.677 31.700 -0.060 0.000 0.782 146 A N -1.197 121.502 122.820 -0.200 0.000 2.587 146 A HA 0.668 4.988 4.320 0.000 0.000 0.293 146 A C -3.049 174.353 177.584 -0.303 0.000 1.087 146 A CA -1.855 50.037 52.037 -0.242 0.000 0.692 146 A CB 0.695 19.598 19.000 -0.161 0.000 1.291 146 A HN -0.228 nan 8.150 nan 0.000 0.407 147 P HA 0.486 nan 4.420 nan 0.000 0.268 147 P C -0.320 176.783 177.300 -0.329 0.000 1.204 147 P CA 0.477 63.333 63.100 -0.408 0.000 0.768 147 P CB 1.170 32.697 31.700 -0.289 0.000 0.842 148 A N 2.168 124.724 122.820 -0.440 0.000 2.566 148 A HA 0.617 4.937 4.320 0.000 0.000 0.290 148 A C -1.691 175.678 177.584 -0.358 0.000 1.071 148 A CA -0.477 51.384 52.037 -0.293 0.000 0.658 148 A CB 1.014 19.878 19.000 -0.226 0.000 1.285 148 A HN 0.225 nan 8.150 nan 0.000 0.427 149 V N 0.788 120.534 119.914 -0.279 0.000 2.483 149 V HA 0.665 4.786 4.120 0.000 0.000 0.297 149 V C 0.749 176.527 176.094 -0.527 0.000 1.027 149 V CA -0.045 62.020 62.300 -0.391 0.000 0.855 149 V CB 1.521 33.167 31.823 -0.296 0.000 0.995 149 V HN 1.465 nan 8.190 nan 0.000 0.424 150 G N 3.033 111.260 108.800 -0.955 0.000 2.420 150 G HA2 0.539 4.499 3.960 0.000 0.000 0.284 150 G HA3 0.539 4.499 3.960 0.000 0.000 0.284 150 G C -0.727 173.896 174.900 -0.461 0.000 1.177 150 G CA -0.353 44.265 45.100 -0.804 0.000 0.841 150 G HN 0.567 nan 8.290 nan 0.000 0.527 151 V N 2.260 122.040 119.914 -0.223 0.000 2.347 151 V HA 0.345 4.465 4.120 0.000 0.000 0.280 151 V C -0.124 175.993 176.094 0.038 0.000 1.021 151 V CA -0.614 61.595 62.300 -0.152 0.000 0.847 151 V CB 1.340 33.016 31.823 -0.245 0.000 0.990 151 V HN 0.487 nan 8.190 nan 0.000 0.444 152 V N 3.693 123.722 119.914 0.190 0.000 2.417 152 V HA 0.378 4.498 4.120 0.000 0.000 0.291 152 V C -0.320 175.858 176.094 0.140 0.000 1.024 152 V CA -0.576 61.871 62.300 0.244 0.000 0.861 152 V CB 2.002 34.014 31.823 0.316 0.000 0.985 152 V HN 0.919 nan 8.190 nan 0.000 0.436 153 D N 4.167 124.627 120.400 0.100 0.000 2.380 153 D HA 0.286 4.926 4.640 0.000 0.000 0.230 153 D C 0.849 177.172 176.300 0.039 0.000 1.154 153 D CA -0.101 53.940 54.000 0.070 0.000 0.859 153 D CB 1.178 42.007 40.800 0.048 0.000 1.045 153 D HN 0.419 nan 8.370 nan 0.000 0.495 154 L N 2.792 124.024 121.223 0.015 0.000 2.217 154 L HA -0.001 4.339 4.340 0.000 0.000 0.211 154 L C 2.154 178.972 176.870 -0.087 0.000 1.107 154 L CA 0.637 55.437 54.840 -0.066 0.000 0.783 154 L CB -0.131 41.834 42.059 -0.158 0.000 0.919 154 L HN 0.525 nan 8.230 nan 0.000 0.442 155 E N 0.595 120.769 120.200 -0.043 0.000 2.072 155 E HA -0.135 4.215 4.350 0.000 0.000 0.190 155 E C 2.066 178.652 176.600 -0.023 0.000 0.982 155 E CA 1.055 57.434 56.400 -0.036 0.000 0.803 155 E CB -0.041 29.657 29.700 -0.004 0.000 0.755 155 E HN 0.375 nan 8.360 nan 0.000 0.453 156 G N 0.242 109.038 108.800 -0.006 0.000 2.880 156 G HA2 -0.076 3.884 3.960 0.000 0.000 0.209 156 G HA3 -0.076 3.884 3.960 0.000 0.000 0.209 156 G C -0.059 174.840 174.900 -0.002 0.000 1.157 156 G CA 0.083 45.183 45.100 -0.001 0.000 0.779 156 G HN 0.200 nan 8.290 nan 0.000 0.539 157 K N -0.995 119.399 120.400 -0.009 0.000 3.244 157 K HA -0.077 4.243 4.320 0.000 0.000 0.270 157 K C -0.136 176.481 176.600 0.027 0.000 1.016 157 K CA 0.255 56.538 56.287 -0.006 0.000 0.754 157 K CB -1.842 30.644 32.500 -0.024 0.000 1.326 157 K HN 0.687 nan 8.250 nan 0.000 0.465 158 A N 0.677 123.530 122.820 0.056 0.000 2.574 158 A HA 0.648 4.968 4.320 0.000 0.000 0.297 158 A C -1.270 176.411 177.584 0.162 0.000 1.062 158 A CA -0.860 51.235 52.037 0.096 0.000 0.686 158 A CB 0.878 19.915 19.000 0.061 0.000 1.285 158 A HN 0.265 nan 8.150 nan 0.000 0.403 159 F N 2.342 122.318 119.950 0.044 0.000 2.467 159 F HA 0.416 4.943 4.527 0.000 0.000 0.362 159 F C 1.038 176.873 175.800 0.058 0.000 1.090 159 F CA -0.270 57.773 58.000 0.071 0.000 1.202 159 F CB 0.879 39.925 39.000 0.077 0.000 1.113 159 F HN 0.602 nan 8.300 nan 0.000 0.541 160 K N 5.611 125.663 120.400 -0.580 0.000 2.108 160 K HA 0.136 4.456 4.320 0.000 0.000 0.204 160 K C 0.107 176.267 176.600 -0.735 0.000 1.036 160 K CA 0.721 56.717 56.287 -0.485 0.000 0.965 160 K CB 0.138 32.496 32.500 -0.236 0.000 0.804 160 K HN 0.817 nan 8.250 nan 0.000 0.454 161 R N -1.288 118.621 120.500 -0.987 0.000 2.829 161 R HA 0.310 4.650 4.340 0.000 0.000 0.284 161 R C -1.204 174.841 176.300 -0.424 0.000 1.006 161 R CA -0.796 54.911 56.100 -0.655 0.000 0.844 161 R CB 0.318 30.444 30.300 -0.291 0.000 1.309 161 R HN -0.219 nan 8.270 nan 0.000 0.494 162 M N 1.934 121.443 119.600 -0.152 0.000 2.300 162 M HA 0.449 4.929 4.480 0.000 0.000 0.348 162 M C -0.667 175.560 176.300 -0.122 0.000 1.151 162 M CA -0.736 54.508 55.300 -0.094 0.000 1.046 162 M CB 1.127 33.722 32.600 -0.007 0.000 1.647 162 M HN 0.511 nan 8.290 nan 0.000 0.451 163 L N 2.897 124.030 121.223 -0.150 0.000 2.282 163 L HA 0.386 4.726 4.340 0.000 0.000 0.288 163 L C -0.075 176.747 176.870 -0.080 0.000 1.033 163 L CA -0.822 53.960 54.840 -0.097 0.000 0.807 163 L CB 1.197 43.210 42.059 -0.077 0.000 1.209 163 L HN 0.505 nan 8.230 nan 0.000 0.423 164 D N 2.986 123.349 120.400 -0.060 0.000 2.308 164 D HA 0.382 5.022 4.640 0.000 0.000 0.251 164 D C -0.130 176.143 176.300 -0.044 0.000 1.127 164 D CA 0.129 54.091 54.000 -0.063 0.000 0.876 164 D CB 2.212 42.981 40.800 -0.053 0.000 1.176 164 D HN 0.262 nan 8.370 nan 0.000 0.446 165 V N 0.003 119.887 119.914 -0.049 0.000 3.102 165 V HA 0.701 4.822 4.120 0.000 0.000 0.312 165 V C -2.602 173.477 176.094 -0.025 0.000 1.135 165 V CA -1.853 60.435 62.300 -0.020 0.000 1.022 165 V CB 1.523 33.363 31.823 0.028 0.000 1.056 165 V HN 0.280 nan 8.190 nan 0.000 0.436 166 P HA 0.263 nan 4.420 nan 0.000 0.297 166 P C -0.761 176.540 177.300 0.001 0.000 1.303 166 P CA -0.132 62.981 63.100 0.022 0.000 0.753 166 P CB 0.196 31.953 31.700 0.095 0.000 1.281 167 D N -0.500 119.914 120.400 0.023 0.000 2.541 167 D HA 0.135 4.775 4.640 0.000 0.000 0.231 167 D C -0.857 175.473 176.300 0.049 0.000 1.163 167 D CA 0.125 54.136 54.000 0.019 0.000 1.077 167 D CB -1.285 39.580 40.800 0.108 0.000 1.110 167 D HN 0.154 nan 8.370 nan 0.000 0.499 168 c N 2.065 120.597 118.600 -0.113 0.000 2.971 168 c HA 0.659 5.229 4.570 0.000 0.000 0.310 168 c C -0.912 173.000 174.090 -0.296 0.000 1.285 168 c CA -0.918 55.420 56.329 0.016 0.000 1.593 168 c CB 1.012 43.603 42.510 0.134 0.000 2.076 168 c HN 0.414 nan 8.230 nan 0.000 0.472 169 Y N -0.985 119.456 120.300 0.236 0.000 2.562 169 Y HA 0.619 5.169 4.550 0.000 0.000 0.345 169 Y C -0.062 176.004 175.900 0.277 0.000 1.045 169 Y CA -0.190 57.951 58.100 0.067 0.000 1.028 169 Y CB 0.855 39.442 38.460 0.212 0.000 1.297 169 Y HN 0.979 nan 8.280 nan 0.000 0.463 170 H N 0.091 119.169 119.070 0.014 0.000 4.850 170 H HA -0.055 4.501 4.556 0.000 0.000 0.264 170 H C -1.660 173.533 175.328 -0.226 0.000 0.536 170 H CA 0.259 56.251 56.048 -0.093 0.000 0.699 170 H CB -0.321 29.428 29.762 -0.021 0.000 0.876 170 H HN 0.623 nan 8.280 nan 0.000 0.309 171 I N 1.991 122.329 120.570 -0.386 0.000 2.529 171 I HA 0.247 4.417 4.170 0.000 0.000 0.284 171 I C -0.944 174.959 176.117 -0.356 0.000 1.088 171 I CA -0.232 60.930 61.300 -0.230 0.000 1.062 171 I CB 0.921 38.820 38.000 -0.168 0.000 1.218 171 I HN 0.232 nan 8.210 nan 0.000 0.442 172 F N 7.045 127.106 119.950 0.185 0.000 2.359 172 F HA 0.461 4.988 4.527 0.000 0.000 0.369 172 F C -2.410 173.504 175.800 0.191 0.000 1.084 172 F CA -2.696 55.224 58.000 -0.133 0.000 1.096 172 F CB 0.932 39.484 39.000 -0.748 0.000 1.335 172 F HN 0.142 nan 8.300 nan 0.000 0.457 173 P HA 0.186 nan 4.420 nan 0.000 0.281 173 P C 0.692 178.288 177.300 0.494 0.000 1.252 173 P CA -0.139 63.267 63.100 0.510 0.000 0.778 173 P CB 1.142 33.103 31.700 0.436 0.000 0.895 174 T N -0.287 114.533 114.554 0.443 0.000 2.985 174 T HA 0.612 4.963 4.350 0.000 0.000 0.254 174 T C 0.458 175.306 174.700 0.247 0.000 1.021 174 T CA 0.057 62.366 62.100 0.347 0.000 0.957 174 T CB 0.205 69.293 68.868 0.367 0.000 1.047 174 T HN 0.493 nan 8.240 nan 0.000 0.511 175 A N 1.319 124.285 122.820 0.245 0.000 2.564 175 A HA 0.705 5.025 4.320 0.000 0.000 0.291 175 A C -2.521 175.158 177.584 0.159 0.000 1.102 175 A CA -1.255 50.879 52.037 0.162 0.000 0.660 175 A CB 0.246 19.310 19.000 0.107 0.000 1.283 175 A HN -0.107 nan 8.150 nan 0.000 0.430 176 P HA -0.048 nan 4.420 nan 0.000 0.223 176 P C 0.054 177.321 177.300 -0.055 0.000 1.144 176 P CA 2.075 65.214 63.100 0.065 0.000 0.783 176 P CB 0.050 31.764 31.700 0.023 0.000 0.771 177 D N -3.820 116.482 120.400 -0.163 0.000 2.636 177 D HA 0.101 4.741 4.640 0.000 0.000 0.270 177 D C -0.471 175.634 176.300 -0.326 0.000 1.430 177 D CA -0.281 53.322 54.000 -0.661 0.000 0.796 177 D CB -0.343 40.073 40.800 -0.640 0.000 1.117 177 D HN -0.152 nan 8.370 nan 0.000 0.480 178 T N 0.478 115.105 114.554 0.121 0.000 2.933 178 T HA 0.638 4.988 4.350 0.000 0.000 0.305 178 T C -1.048 173.889 174.700 0.395 0.000 1.092 178 T CA -0.759 61.439 62.100 0.164 0.000 1.008 178 T CB 1.510 70.415 68.868 0.062 0.000 1.102 178 T HN 0.181 nan 8.240 nan 0.000 0.469 179 F N 0.251 120.305 119.950 0.173 0.000 2.645 179 F HA 0.902 5.429 4.527 0.000 0.000 0.310 179 F C -2.057 173.790 175.800 0.079 0.000 1.102 179 F CA -1.738 56.398 58.000 0.228 0.000 0.952 179 F CB 0.952 40.085 39.000 0.222 0.000 1.326 179 F HN 0.382 nan 8.300 nan 0.000 0.456 180 F N 1.893 122.061 119.950 0.362 0.000 2.507 180 F HA 0.815 5.342 4.527 0.000 0.000 0.327 180 F C -0.053 176.022 175.800 0.458 0.000 1.068 180 F CA -0.929 57.237 58.000 0.278 0.000 0.965 180 F CB 2.258 41.376 39.000 0.196 0.000 1.192 180 F HN 0.390 nan 8.300 nan 0.000 0.476 181 M N 1.566 121.499 119.600 0.555 0.000 2.593 181 M HA 0.316 4.797 4.480 0.000 0.000 0.290 181 M C -1.193 175.481 176.300 0.623 0.000 1.244 181 M CA -0.787 54.845 55.300 0.554 0.000 0.857 181 M CB 2.801 35.632 32.600 0.385 0.000 1.738 181 M HN 0.576 nan 8.290 nan 0.000 0.461 182 H N 0.938 120.371 119.070 0.604 0.000 2.519 182 H HA 0.446 5.002 4.556 0.000 0.000 0.316 182 H C -1.590 174.007 175.328 0.448 0.000 1.065 182 H CA -0.553 55.813 56.048 0.530 0.000 1.264 182 H CB 1.017 31.104 29.762 0.542 0.000 1.413 182 H HN 0.761 nan 8.280 nan 0.000 0.465 183 c N 5.057 123.621 118.600 -0.060 0.000 2.351 183 c HA 0.230 4.800 4.570 0.000 0.000 0.359 183 c C 2.160 176.134 174.090 -0.193 0.000 1.193 183 c CA -0.802 55.520 56.329 -0.011 0.000 2.270 183 c CB 1.131 43.736 42.510 0.157 0.000 2.369 183 c HN 0.946 nan 8.230 nan 0.000 0.553 184 R N 1.319 121.843 120.500 0.040 0.000 2.127 184 R HA -0.159 4.181 4.340 0.000 0.000 0.238 184 R C 1.404 177.665 176.300 -0.065 0.000 1.134 184 R CA 2.375 58.487 56.100 0.020 0.000 0.975 184 R CB -0.376 30.001 30.300 0.129 0.000 0.865 184 R HN 0.943 nan 8.270 nan 0.000 0.447 185 D N -1.597 118.758 120.400 -0.076 0.000 2.371 185 D HA -0.011 4.629 4.640 0.000 0.000 0.221 185 D C 1.150 177.294 176.300 -0.261 0.000 0.986 185 D CA 1.090 55.013 54.000 -0.128 0.000 0.899 185 D CB -0.019 40.721 40.800 -0.100 0.000 0.902 185 D HN 0.411 nan 8.370 nan 0.000 0.530 186 G N -0.320 108.272 108.800 -0.346 0.000 2.179 186 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 186 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 186 G C 0.356 175.022 174.900 -0.390 0.000 0.990 186 G CA 0.328 44.994 45.100 -0.724 0.000 0.646 186 G HN 0.797 nan 8.290 nan 0.000 0.517 187 S N -0.351 115.325 115.700 -0.040 0.000 2.730 187 S HA 0.857 5.327 4.470 0.000 0.000 0.284 187 S C 0.111 174.982 174.600 0.452 0.000 1.153 187 S CA -0.937 57.412 58.200 0.248 0.000 0.995 187 S CB 2.020 65.396 63.200 0.295 0.000 1.058 187 S HN 0.581 nan 8.310 nan 0.000 0.552 188 L N 0.826 122.372 121.223 0.539 0.000 2.322 188 L HA 0.701 5.041 4.340 0.000 0.000 0.279 188 L C 0.082 177.103 176.870 0.252 0.000 1.036 188 L CA -0.975 54.162 54.840 0.495 0.000 0.807 188 L CB 1.611 43.994 42.059 0.541 0.000 1.226 188 L HN 0.908 nan 8.230 nan 0.000 0.433 189 A N 3.118 125.991 122.820 0.088 0.000 2.288 189 A HA 0.436 4.756 4.320 0.000 0.000 0.320 189 A C -0.530 176.873 177.584 -0.301 0.000 1.217 189 A CA -0.581 51.286 52.037 -0.282 0.000 0.840 189 A CB 0.858 19.638 19.000 -0.367 0.000 1.179 189 A HN 0.692 nan 8.150 nan 0.000 0.504 190 K N 2.746 122.854 120.400 -0.487 0.000 2.234 190 K HA 0.533 4.854 4.320 0.000 0.000 0.277 190 K C -1.417 174.807 176.600 -0.626 0.000 1.038 190 K CA -0.279 55.488 56.287 -0.867 0.000 0.888 190 K CB 0.906 32.937 32.500 -0.782 0.000 1.091 190 K HN 0.415 nan 8.250 nan 0.000 0.467 191 V N 3.625 123.085 119.914 -0.757 0.000 2.350 191 V HA 0.443 4.563 4.120 0.000 0.000 0.285 191 V C -0.401 175.381 176.094 -0.520 0.000 1.014 191 V CA -0.931 60.936 62.300 -0.722 0.000 0.831 191 V CB 1.123 32.177 31.823 -1.281 0.000 1.000 191 V HN 0.875 nan 8.190 nan 0.000 0.433 192 A N 6.353 129.019 122.820 -0.257 0.000 2.258 192 A HA 0.910 5.230 4.320 0.000 0.000 0.316 192 A C -0.703 176.890 177.584 0.015 0.000 1.279 192 A CA -0.374 51.590 52.037 -0.122 0.000 0.876 192 A CB 0.380 19.303 19.000 -0.128 0.000 1.170 192 A HN 0.890 nan 8.150 nan 0.000 0.520 193 F N 0.245 120.149 119.950 -0.077 0.000 2.598 193 F HA 0.891 5.418 4.527 0.000 0.000 0.327 193 F C 0.435 176.236 175.800 0.001 0.000 1.057 193 F CA -1.267 56.720 58.000 -0.022 0.000 0.957 193 F CB 1.809 40.834 39.000 0.040 0.000 1.278 193 F HN 0.595 nan 8.300 nan 0.000 0.484 194 G N -0.294 108.438 108.800 -0.113 0.000 5.374 194 G HA2 0.298 4.258 3.960 0.000 0.000 0.198 194 G HA3 0.298 4.258 3.960 0.000 0.000 0.198 194 G C -0.149 174.739 174.900 -0.019 0.000 0.812 194 G CA 0.044 45.068 45.100 -0.126 0.000 0.614 194 G HN 0.985 nan 8.290 nan 0.000 0.357 195 T N -0.212 114.361 114.554 0.033 0.000 3.978 195 T HA -0.238 4.112 4.350 0.000 0.000 0.338 195 T C 0.144 174.872 174.700 0.047 0.000 0.775 195 T CA 2.275 64.414 62.100 0.066 0.000 1.866 195 T CB -0.995 67.880 68.868 0.012 0.000 1.932 195 T HN 0.815 nan 8.240 nan 0.000 0.801 196 E N -2.008 118.222 120.200 0.049 0.000 3.745 196 E HA 0.425 4.775 4.350 0.000 0.000 0.349 196 E C 0.006 176.619 176.600 0.021 0.000 1.106 196 E CA 0.115 56.529 56.400 0.023 0.000 0.879 196 E CB 0.566 30.272 29.700 0.010 0.000 1.186 196 E HN 0.491 nan 8.360 nan 0.000 0.519 197 G N 1.220 110.029 108.800 0.015 0.000 2.225 197 G HA2 0.083 4.044 3.960 0.000 0.000 0.203 197 G HA3 0.083 4.044 3.960 0.000 0.000 0.203 197 G C -1.059 173.848 174.900 0.011 0.000 1.335 197 G CA -0.236 44.871 45.100 0.011 0.000 1.183 197 G HN 0.467 nan 8.290 nan 0.000 0.488 198 T N 2.817 117.378 114.554 0.011 0.000 2.928 198 T HA 0.685 5.035 4.350 0.000 0.000 0.296 198 T C -2.534 172.173 174.700 0.011 0.000 1.000 198 T CA -0.378 61.725 62.100 0.006 0.000 0.989 198 T CB 1.881 70.746 68.868 -0.004 0.000 1.005 198 T HN 0.636 nan 8.240 nan 0.000 0.442 199 P HA 0.271 nan 4.420 nan 0.000 0.271 199 P C -0.689 176.594 177.300 -0.028 0.000 1.218 199 P CA -0.377 62.731 63.100 0.013 0.000 0.780 199 P CB 0.581 32.285 31.700 0.007 0.000 0.901 200 E N 1.771 121.944 120.200 -0.044 0.000 2.180 200 E HA 0.322 4.672 4.350 0.000 0.000 0.283 200 E C -0.235 176.301 176.600 -0.108 0.000 1.061 200 E CA -0.188 56.175 56.400 -0.062 0.000 0.861 200 E CB 0.383 30.046 29.700 -0.062 0.000 1.056 200 E HN 0.392 nan 8.360 nan 0.000 0.407 201 I N 3.098 123.612 120.570 -0.093 0.000 2.362 201 I HA 0.204 4.374 4.170 0.000 0.000 0.289 201 I C -0.153 175.905 176.117 -0.097 0.000 0.994 201 I CA -0.354 60.863 61.300 -0.138 0.000 1.158 201 I CB 1.701 39.635 38.000 -0.110 0.000 1.315 201 I HN 0.407 nan 8.210 nan 0.000 0.451 202 T N 4.328 118.787 114.554 -0.159 0.000 2.885 202 T HA 0.476 4.826 4.350 0.000 0.000 0.285 202 T C -0.556 174.073 174.700 -0.117 0.000 1.019 202 T CA -0.608 61.450 62.100 -0.068 0.000 1.010 202 T CB 1.357 70.181 68.868 -0.073 0.000 1.022 202 T HN 0.385 nan 8.240 nan 0.000 0.466 203 H N 0.955 120.035 119.070 0.016 0.000 2.569 203 H HA 0.472 5.028 4.556 0.000 0.000 0.357 203 H C 0.483 175.876 175.328 0.108 0.000 1.153 203 H CA -0.585 55.502 56.048 0.064 0.000 1.193 203 H CB 1.972 31.763 29.762 0.049 0.000 1.602 203 H HN 0.748 nan 8.280 nan 0.000 0.523 204 T N -0.823 113.912 114.554 0.301 0.000 2.814 204 T HA 0.174 4.524 4.350 0.000 0.000 0.284 204 T C 0.462 175.298 174.700 0.227 0.000 0.998 204 T CA -1.075 61.212 62.100 0.310 0.000 0.935 204 T CB 0.848 70.014 68.868 0.498 0.000 1.167 204 T HN 0.696 nan 8.240 nan 0.000 0.545 205 E N -0.028 120.262 120.200 0.150 0.000 2.392 205 E HA 0.373 4.723 4.350 0.000 0.000 0.256 205 E C -0.658 175.924 176.600 -0.029 0.000 1.145 205 E CA -1.044 55.365 56.400 0.015 0.000 0.929 205 E CB 0.351 30.012 29.700 -0.066 0.000 0.998 205 E HN 0.366 nan 8.360 nan 0.000 0.442 206 V N 2.713 122.571 119.914 -0.093 0.000 2.521 206 V HA -0.063 4.057 4.120 0.000 0.000 0.286 206 V C 0.371 176.319 176.094 -0.243 0.000 1.034 206 V CA 0.160 62.353 62.300 -0.178 0.000 1.045 206 V CB -0.411 31.274 31.823 -0.230 0.000 0.974 206 V HN 0.755 nan 8.190 nan 0.000 0.480 207 F N 3.329 123.029 119.950 -0.416 0.000 2.678 207 F HA 0.442 4.970 4.527 0.000 0.000 0.305 207 F C 0.479 176.101 175.800 -0.297 0.000 1.090 207 F CA -0.393 57.319 58.000 -0.480 0.000 1.272 207 F CB -0.346 38.197 39.000 -0.762 0.000 1.060 207 F HN 0.660 nan 8.300 nan 0.000 0.576 208 H N -1.935 116.708 119.070 -0.711 0.000 3.046 208 H HA 0.721 5.278 4.556 0.000 0.000 0.361 208 H C -3.326 171.762 175.328 -0.400 0.000 1.235 208 H CA -2.514 53.195 56.048 -0.566 0.000 1.146 208 H CB 0.856 30.119 29.762 -0.831 0.000 1.859 208 H HN -0.231 nan 8.280 nan 0.000 0.548 209 P HA 0.117 nan 4.420 nan 0.000 0.277 209 P C 0.146 177.337 177.300 -0.181 0.000 1.271 209 P CA -0.407 62.570 63.100 -0.205 0.000 0.795 209 P CB 1.242 32.854 31.700 -0.146 0.000 1.101 210 E N -0.409 119.680 120.200 -0.185 0.000 2.427 210 E HA -0.115 4.235 4.350 0.000 0.000 0.196 210 E C 0.814 177.242 176.600 -0.287 0.000 1.028 210 E CA 0.621 56.925 56.400 -0.161 0.000 0.864 210 E CB -0.006 29.641 29.700 -0.089 0.000 0.813 210 E HN 0.440 nan 8.360 nan 0.000 0.514 211 D N -0.401 119.789 120.400 -0.350 0.000 2.349 211 D HA -0.023 4.617 4.640 0.000 0.000 0.214 211 D C -0.169 175.629 176.300 -0.837 0.000 1.063 211 D CA 0.072 53.764 54.000 -0.514 0.000 0.847 211 D CB 0.147 40.823 40.800 -0.207 0.000 0.933 211 D HN 0.079 nan 8.370 nan 0.000 0.513 212 E N 0.305 120.072 120.200 -0.722 0.000 2.134 212 E HA 0.283 4.633 4.350 0.000 0.000 0.278 212 E C -1.042 175.023 176.600 -0.892 0.000 0.959 212 E CA -0.634 55.387 56.400 -0.631 0.000 0.783 212 E CB 1.096 30.625 29.700 -0.285 0.000 1.095 212 E HN -0.001 nan 8.360 nan 0.000 0.399 213 F N 3.026 122.736 119.950 -0.400 0.000 2.385 213 F HA 0.251 4.778 4.527 0.000 0.000 0.360 213 F C -0.090 175.398 175.800 -0.520 0.000 1.122 213 F CA -0.852 56.797 58.000 -0.585 0.000 1.090 213 F CB 0.436 38.751 39.000 -1.141 0.000 1.150 213 F HN 0.254 nan 8.300 nan 0.000 0.472 214 L N 5.146 126.155 121.223 -0.355 0.000 2.290 214 L HA 0.371 4.711 4.340 0.000 0.000 0.284 214 L C 0.475 177.395 176.870 0.083 0.000 1.078 214 L CA -0.371 54.255 54.840 -0.357 0.000 0.815 214 L CB 0.454 41.821 42.059 -1.154 0.000 1.162 214 L HN 0.493 nan 8.230 nan 0.000 0.435 215 I N 0.054 120.834 120.570 0.351 0.000 3.112 215 I HA 0.065 4.236 4.170 0.000 0.000 0.284 215 I C 0.939 177.241 176.117 0.307 0.000 1.227 215 I CA -0.020 61.511 61.300 0.385 0.000 1.369 215 I CB 0.414 38.623 38.000 0.348 0.000 1.376 215 I HN 0.531 nan 8.210 nan 0.000 0.608 216 N N 1.106 119.842 118.700 0.061 0.000 2.515 216 N HA -0.055 4.685 4.740 0.000 0.000 0.185 216 N C -0.281 174.858 175.510 -0.617 0.000 1.109 216 N CA 0.869 53.695 53.050 -0.373 0.000 0.903 216 N CB -0.371 37.517 38.487 -0.998 0.000 0.969 216 N HN 0.665 nan 8.380 nan 0.000 0.450 217 H N -0.221 118.714 119.070 -0.224 0.000 2.317 217 H HA 0.297 4.853 4.556 0.000 0.000 0.231 217 H C -2.216 173.014 175.328 -0.164 0.000 1.442 217 H CA -1.590 54.357 56.048 -0.168 0.000 1.336 217 H CB 0.645 30.298 29.762 -0.181 0.000 1.533 217 H HN 0.109 nan 8.280 nan 0.000 0.522 218 P HA 0.217 nan 4.420 nan 0.000 0.272 218 P C -0.211 177.001 177.300 -0.146 0.000 1.240 218 P CA -0.416 62.339 63.100 -0.575 0.000 0.791 218 P CB 1.169 31.942 31.700 -1.544 0.000 0.978 219 A N 1.477 124.242 122.820 -0.092 0.000 2.312 219 A HA 0.558 4.878 4.320 0.000 0.000 0.326 219 A C -1.425 176.133 177.584 -0.043 0.000 1.172 219 A CA -0.336 51.760 52.037 0.099 0.000 0.821 219 A CB 0.365 19.466 19.000 0.168 0.000 1.166 219 A HN 0.555 nan 8.150 nan 0.000 0.493 220 Y N 1.875 122.080 120.300 -0.158 0.000 2.386 220 Y HA 0.543 5.094 4.550 0.000 0.000 0.334 220 Y C -0.290 175.533 175.900 -0.129 0.000 1.002 220 Y CA -1.108 56.739 58.100 -0.423 0.000 1.068 220 Y CB 2.066 39.912 38.460 -1.023 0.000 1.203 220 Y HN 0.594 nan 8.280 nan 0.000 0.443 221 S N 5.780 121.228 115.700 -0.419 0.000 2.423 221 S HA 0.183 4.654 4.470 0.000 0.000 0.317 221 S C 0.831 174.992 174.600 -0.732 0.000 1.065 221 S CA -0.406 57.591 58.200 -0.338 0.000 1.111 221 S CB 0.912 64.143 63.200 0.051 0.000 0.968 221 S HN 0.993 nan 8.310 nan 0.000 0.474 222 Q N 4.381 123.715 119.800 -0.777 0.000 2.124 222 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 222 Q C 1.634 177.490 176.000 -0.239 0.000 0.977 222 Q CA 1.517 56.942 55.803 -0.631 0.000 0.850 222 Q CB -0.003 28.591 28.738 -0.240 0.000 0.901 222 Q HN 0.737 nan 8.270 nan 0.000 0.429 223 K N -0.647 119.666 120.400 -0.145 0.000 2.148 223 K HA -0.082 4.238 4.320 0.000 0.000 0.204 223 K C 1.731 178.301 176.600 -0.051 0.000 1.050 223 K CA 1.023 57.273 56.287 -0.062 0.000 0.942 223 K CB 0.049 32.526 32.500 -0.037 0.000 0.724 223 K HN 0.226 nan 8.250 nan 0.000 0.446 224 A N -0.014 122.764 122.820 -0.069 0.000 2.147 224 A HA 0.198 4.518 4.320 0.000 0.000 0.211 224 A C 1.418 178.967 177.584 -0.058 0.000 1.160 224 A CA 0.788 52.811 52.037 -0.024 0.000 0.781 224 A CB -0.030 19.014 19.000 0.072 0.000 0.842 224 A HN 0.357 nan 8.150 nan 0.000 0.475 225 G N -0.841 107.892 108.800 -0.111 0.000 2.160 225 G HA2 -0.276 3.684 3.960 0.000 0.000 0.251 225 G HA3 -0.276 3.684 3.960 0.000 0.000 0.251 225 G C 0.229 175.095 174.900 -0.056 0.000 1.008 225 G CA 0.607 45.681 45.100 -0.043 0.000 0.724 225 G HN 0.693 nan 8.290 nan 0.000 0.514 226 R N -0.038 120.382 120.500 -0.133 0.000 2.255 226 R HA 0.700 5.040 4.340 0.000 0.000 0.326 226 R C -0.109 176.063 176.300 -0.214 0.000 0.986 226 R CA -0.857 55.098 56.100 -0.242 0.000 0.847 226 R CB 0.583 30.633 30.300 -0.417 0.000 1.111 226 R HN 0.250 nan 8.270 nan 0.000 0.452 227 L N 5.538 126.590 121.223 -0.285 0.000 2.272 227 L HA 0.497 4.838 4.340 0.000 0.000 0.289 227 L C -1.072 175.604 176.870 -0.324 0.000 1.032 227 L CA -0.950 53.657 54.840 -0.387 0.000 0.810 227 L CB 1.484 43.163 42.059 -0.634 0.000 1.205 227 L HN 0.434 nan 8.230 nan 0.000 0.422 228 V N 4.916 124.658 119.914 -0.287 0.000 2.347 228 V HA 0.337 4.457 4.120 0.000 0.000 0.280 228 V C -0.845 175.226 176.094 -0.038 0.000 1.021 228 V CA -0.503 61.708 62.300 -0.148 0.000 0.847 228 V CB 1.535 33.272 31.823 -0.143 0.000 0.990 228 V HN 0.641 nan 8.190 nan 0.000 0.444 229 W N 8.863 130.121 121.300 -0.070 0.000 2.463 229 W HA 0.539 5.199 4.660 0.001 0.000 0.316 229 W C -2.936 173.611 176.519 0.047 0.000 1.004 229 W CA -2.646 54.680 57.345 -0.033 0.000 1.309 229 W CB 2.470 31.884 29.460 -0.077 0.000 1.288 229 W HN 0.380 nan 8.180 nan 0.000 0.423 230 P HA 0.337 nan 4.420 nan 0.000 0.281 230 P C 0.035 177.492 177.300 0.262 0.000 1.264 230 P CA 0.064 63.322 63.100 0.263 0.000 0.824 230 P CB 1.620 33.437 31.700 0.195 0.000 1.092 231 T N -2.376 112.277 114.554 0.165 0.000 2.923 231 T HA 0.272 4.622 4.350 0.000 0.000 0.281 231 T C 0.843 175.693 174.700 0.249 0.000 0.995 231 T CA -0.216 61.960 62.100 0.126 0.000 0.985 231 T CB 0.058 68.937 68.868 0.019 0.000 1.114 231 T HN 0.131 nan 8.240 nan 0.000 0.548 232 Y N 0.921 121.255 120.300 0.057 0.000 2.465 232 Y HA -0.016 4.534 4.550 0.000 0.000 0.289 232 Y C 2.924 178.829 175.900 0.008 0.000 1.150 232 Y CA 1.464 59.581 58.100 0.028 0.000 1.293 232 Y CB -1.237 37.210 38.460 -0.022 0.000 0.977 232 Y HN 0.907 nan 8.280 nan 0.000 0.556 233 T N -4.864 109.787 114.554 0.163 0.000 3.086 233 T HA 0.403 4.753 4.350 0.000 0.000 0.250 233 T C 1.746 176.487 174.700 0.068 0.000 1.074 233 T CA 0.565 62.715 62.100 0.083 0.000 0.988 233 T CB 0.033 68.923 68.868 0.037 0.000 0.988 233 T HN 0.374 nan 8.240 nan 0.000 0.530 234 G N 1.460 110.310 108.800 0.084 0.000 2.176 234 G HA2 -0.246 3.714 3.960 0.000 0.000 0.232 234 G HA3 -0.246 3.714 3.960 0.000 0.000 0.232 234 G C -0.035 174.877 174.900 0.020 0.000 0.986 234 G CA 0.077 45.214 45.100 0.062 0.000 0.643 234 G HN 0.825 nan 8.290 nan 0.000 0.522 235 K N 0.738 121.135 120.400 -0.005 0.000 2.350 235 K HA 0.553 4.873 4.320 0.000 0.000 0.279 235 K C -0.038 176.513 176.600 -0.083 0.000 1.027 235 K CA -0.373 55.868 56.287 -0.077 0.000 0.969 235 K CB 0.139 32.560 32.500 -0.130 0.000 0.954 235 K HN 0.246 nan 8.250 nan 0.000 0.474 236 I N 5.230 125.731 120.570 -0.115 0.000 2.382 236 I HA 0.166 4.337 4.170 0.000 0.000 0.286 236 I C -0.115 175.933 176.117 -0.114 0.000 1.002 236 I CA -0.847 60.423 61.300 -0.049 0.000 1.135 236 I CB 1.157 39.157 38.000 0.000 0.000 1.288 236 I HN 0.565 nan 8.210 nan 0.000 0.448 237 H N 6.226 125.351 119.070 0.092 0.000 2.548 237 H HA 0.399 4.955 4.556 0.000 0.000 0.331 237 H C -0.632 174.729 175.328 0.056 0.000 1.093 237 H CA -0.161 55.953 56.048 0.111 0.000 1.367 237 H CB 1.547 31.439 29.762 0.217 0.000 1.455 237 H HN 0.514 nan 8.280 nan 0.000 0.519 238 Q N 2.570 122.433 119.800 0.105 0.000 2.353 238 Q HA 0.437 4.778 4.340 0.000 0.000 0.268 238 Q C -0.868 175.066 176.000 -0.111 0.000 1.045 238 Q CA -0.908 54.873 55.803 -0.036 0.000 0.811 238 Q CB 2.419 31.110 28.738 -0.078 0.000 1.305 238 Q HN 0.423 nan 8.270 nan 0.000 0.447 239 I N 1.444 121.860 120.570 -0.257 0.000 2.498 239 I HA 0.195 4.366 4.170 0.000 0.000 0.290 239 I C -0.764 175.100 176.117 -0.421 0.000 1.032 239 I CA -0.562 60.466 61.300 -0.454 0.000 1.073 239 I CB 1.860 39.466 38.000 -0.656 0.000 1.251 239 I HN 0.428 nan 8.210 nan 0.000 0.426 240 D N 6.107 126.265 120.400 -0.404 0.000 2.280 240 D HA 0.390 5.030 4.640 0.000 0.000 0.236 240 D C 0.075 176.160 176.300 -0.358 0.000 1.082 240 D CA -0.138 53.680 54.000 -0.304 0.000 0.834 240 D CB 1.204 41.880 40.800 -0.207 0.000 1.100 240 D HN 0.480 nan 8.370 nan 0.000 0.486 241 L N 2.724 123.757 121.223 -0.318 0.000 2.693 241 L HA 0.067 4.408 4.340 0.000 0.000 0.235 241 L C 2.075 178.849 176.870 -0.159 0.000 1.127 241 L CA -0.051 54.575 54.840 -0.357 0.000 0.914 241 L CB 0.037 41.801 42.059 -0.493 0.000 1.193 241 L HN 0.360 nan 8.230 nan 0.000 0.502 242 S N -0.481 115.154 115.700 -0.108 0.000 2.465 242 S HA -0.178 4.292 4.470 0.000 0.000 0.241 242 S C 1.935 176.522 174.600 -0.023 0.000 1.000 242 S CA 1.300 59.472 58.200 -0.046 0.000 0.964 242 S CB -0.448 62.727 63.200 -0.041 0.000 0.763 242 S HN 0.546 nan 8.310 nan 0.000 0.512 243 S N -0.049 115.630 115.700 -0.036 0.000 2.593 243 S HA 0.493 4.963 4.470 0.000 0.000 0.217 243 S C 1.589 176.203 174.600 0.024 0.000 0.966 243 S CA 0.358 58.552 58.200 -0.009 0.000 0.914 243 S CB -0.362 62.826 63.200 -0.020 0.000 0.776 243 S HN 1.382 nan 8.310 nan 0.000 0.523 244 G N 0.434 109.261 108.800 0.045 0.000 2.195 244 G HA2 -0.168 3.792 3.960 0.000 0.000 0.246 244 G HA3 -0.168 3.792 3.960 0.000 0.000 0.246 244 G C -0.410 174.607 174.900 0.194 0.000 0.984 244 G CA 0.247 45.420 45.100 0.122 0.000 0.633 244 G HN 0.567 nan 8.290 nan 0.000 0.525 245 D N -0.234 120.224 120.400 0.097 0.000 2.581 245 D HA 0.660 5.300 4.640 0.000 0.000 0.232 245 D C 0.159 176.405 176.300 -0.091 0.000 1.143 245 D CA 0.379 54.453 54.000 0.123 0.000 0.881 245 D CB 1.581 42.432 40.800 0.085 0.000 1.500 245 D HN 0.642 nan 8.370 nan 0.000 0.458 246 A N 1.461 124.207 122.820 -0.123 0.000 2.354 246 A HA 0.350 4.671 4.320 0.000 0.000 0.281 246 A C -0.036 177.277 177.584 -0.452 0.000 1.174 246 A CA -0.108 51.651 52.037 -0.463 0.000 0.828 246 A CB 0.142 18.803 19.000 -0.564 0.000 1.099 246 A HN 0.284 nan 8.150 nan 0.000 0.516 247 K N 2.750 122.846 120.400 -0.507 0.000 2.339 247 K HA 0.404 4.725 4.320 0.000 0.000 0.264 247 K C -1.535 174.781 176.600 -0.473 0.000 0.986 247 K CA -0.131 55.958 56.287 -0.330 0.000 0.866 247 K CB 1.409 33.808 32.500 -0.169 0.000 1.103 247 K HN 0.587 nan 8.250 nan 0.000 0.441 248 F N 2.979 122.873 119.950 -0.094 0.000 2.438 248 F HA 0.180 4.707 4.527 0.000 0.000 0.356 248 F C 0.476 176.243 175.800 -0.055 0.000 1.099 248 F CA -0.777 57.164 58.000 -0.098 0.000 1.185 248 F CB 0.339 39.300 39.000 -0.066 0.000 1.115 248 F HN 0.174 nan 8.300 nan 0.000 0.526 249 L N 4.908 126.172 121.223 0.067 0.000 2.416 249 L HA 0.486 4.826 4.340 0.000 0.000 0.262 249 L C -1.956 174.962 176.870 0.079 0.000 1.093 249 L CA -2.294 52.570 54.840 0.041 0.000 0.801 249 L CB -0.245 41.803 42.059 -0.018 0.000 1.191 249 L HN 0.365 nan 8.230 nan 0.000 0.459 250 P HA 0.197 nan 4.420 nan 0.000 0.267 250 P C -0.892 176.415 177.300 0.012 0.000 1.205 250 P CA -0.381 62.738 63.100 0.031 0.000 0.765 250 P CB 0.376 32.083 31.700 0.011 0.000 0.828 251 A N 3.236 126.054 122.820 -0.003 0.000 2.425 251 A HA 0.378 4.698 4.320 0.000 0.000 0.242 251 A C -0.085 177.455 177.584 -0.073 0.000 1.077 251 A CA -0.029 51.962 52.037 -0.078 0.000 0.781 251 A CB 0.236 19.135 19.000 -0.168 0.000 1.020 251 A HN 0.417 nan 8.150 nan 0.000 0.494 252 V N 1.908 121.769 119.914 -0.089 0.000 2.789 252 V HA 0.327 4.447 4.120 0.000 0.000 0.311 252 V C -0.636 175.413 176.094 -0.075 0.000 1.073 252 V CA -0.721 61.539 62.300 -0.066 0.000 0.921 252 V CB 2.049 33.844 31.823 -0.047 0.000 1.009 252 V HN 0.964 nan 8.190 nan 0.000 0.426 253 E N 2.760 122.921 120.200 -0.064 0.000 2.146 253 E HA 0.420 4.771 4.350 0.000 0.000 0.282 253 E C 0.610 177.177 176.600 -0.054 0.000 0.989 253 E CA -0.093 56.272 56.400 -0.059 0.000 0.799 253 E CB 2.028 31.695 29.700 -0.055 0.000 1.088 253 E HN 0.759 nan 8.360 nan 0.000 0.397 254 A N 4.415 127.210 122.820 -0.042 0.000 2.016 254 A HA 0.047 4.367 4.320 0.000 0.000 0.217 254 A C 0.885 178.426 177.584 -0.070 0.000 1.162 254 A CA 0.684 52.692 52.037 -0.048 0.000 0.662 254 A CB 0.154 19.143 19.000 -0.019 0.000 0.812 254 A HN 0.500 nan 8.150 nan 0.000 0.450 255 L N 0.259 121.449 121.223 -0.055 0.000 2.334 255 L HA 0.397 4.738 4.340 0.000 0.000 0.273 255 L C 0.635 177.459 176.870 -0.076 0.000 1.013 255 L CA -0.774 54.019 54.840 -0.079 0.000 0.816 255 L CB 2.020 44.069 42.059 -0.016 0.000 1.278 255 L HN 0.266 nan 8.230 nan 0.000 0.431 256 T N -2.907 111.584 114.554 -0.105 0.000 2.816 256 T HA 0.127 4.477 4.350 0.000 0.000 0.282 256 T C 0.872 175.544 174.700 -0.048 0.000 0.993 256 T CA -0.468 61.585 62.100 -0.079 0.000 0.994 256 T CB 1.367 70.178 68.868 -0.095 0.000 1.025 256 T HN 0.733 nan 8.240 nan 0.000 0.529 257 E N 0.492 120.670 120.200 -0.037 0.000 2.085 257 E HA -0.146 4.204 4.350 0.000 0.000 0.194 257 E C 2.319 178.915 176.600 -0.007 0.000 0.994 257 E CA 1.377 57.766 56.400 -0.019 0.000 0.801 257 E CB -0.614 29.074 29.700 -0.020 0.000 0.743 257 E HN 0.799 nan 8.360 nan 0.000 0.453 258 A N 0.590 123.399 122.820 -0.018 0.000 1.930 258 A HA -0.201 4.119 4.320 0.000 0.000 0.217 258 A C 1.911 179.507 177.584 0.020 0.000 1.175 258 A CA 1.508 53.542 52.037 -0.005 0.000 0.627 258 A CB -0.403 18.584 19.000 -0.022 0.000 0.815 258 A HN 0.277 nan 8.150 nan 0.000 0.443 259 E N -0.433 119.759 120.200 -0.015 0.000 2.047 259 E HA -0.174 4.176 4.350 0.000 0.000 0.191 259 E C 2.347 179.064 176.600 0.196 0.000 0.987 259 E CA 1.059 57.474 56.400 0.026 0.000 0.799 259 E CB -0.159 29.413 29.700 -0.214 0.000 0.752 259 E HN 0.525 nan 8.360 nan 0.000 0.449 260 R N 0.414 120.975 120.500 0.100 0.000 2.081 260 R HA -0.110 4.231 4.340 0.000 0.000 0.235 260 R C 2.379 178.727 176.300 0.081 0.000 1.131 260 R CA 1.104 57.264 56.100 0.101 0.000 0.960 260 R CB -0.351 29.978 30.300 0.048 0.000 0.856 260 R HN 0.105 nan 8.270 nan 0.000 0.436 261 A N 1.059 123.914 122.820 0.059 0.000 2.024 261 A HA -0.189 4.131 4.320 0.000 0.000 0.220 261 A C 1.461 179.077 177.584 0.055 0.000 1.164 261 A CA 1.657 53.720 52.037 0.043 0.000 0.643 261 A CB -0.246 18.771 19.000 0.029 0.000 0.806 261 A HN 0.136 nan 8.150 nan 0.000 0.451 262 D N -1.794 118.670 120.400 0.107 0.000 2.340 262 D HA 0.270 4.910 4.640 0.000 0.000 0.220 262 D C 1.305 177.624 176.300 0.030 0.000 1.039 262 D CA 1.066 55.133 54.000 0.112 0.000 0.866 262 D CB 0.039 40.977 40.800 0.231 0.000 0.913 262 D HN 0.547 nan 8.370 nan 0.000 0.523 263 G N -0.113 108.702 108.800 0.024 0.000 2.159 263 G HA2 -0.249 3.711 3.960 0.000 0.000 0.227 263 G HA3 -0.249 3.711 3.960 0.000 0.000 0.227 263 G C -0.100 174.716 174.900 -0.140 0.000 0.986 263 G CA -0.288 44.763 45.100 -0.082 0.000 0.651 263 G HN 0.155 nan 8.290 nan 0.000 0.523 264 W N 1.052 122.318 121.300 -0.056 0.000 2.253 264 W HA 0.737 5.397 4.660 0.000 0.000 0.322 264 W C 1.072 177.567 176.519 -0.040 0.000 1.342 264 W CA -0.046 57.262 57.345 -0.062 0.000 1.218 264 W CB 0.489 29.897 29.460 -0.086 0.000 1.205 264 W HN 0.152 nan 8.180 nan 0.000 0.551 265 R N 3.373 123.968 120.500 0.158 0.000 2.643 265 R HA 0.339 4.679 4.340 0.000 0.000 0.269 265 R C -2.567 173.809 176.300 0.127 0.000 1.037 265 R CA -2.025 54.141 56.100 0.109 0.000 0.894 265 R CB 2.092 32.408 30.300 0.027 0.000 1.238 265 R HN 0.082 nan 8.270 nan 0.000 0.459 266 P HA 0.270 nan 4.420 nan 0.000 0.272 266 P C -0.571 176.791 177.300 0.105 0.000 1.240 266 P CA -0.227 62.952 63.100 0.132 0.000 0.791 266 P CB 0.871 32.651 31.700 0.134 0.000 0.978 267 G N -1.485 107.385 108.800 0.117 0.000 2.655 267 G HA2 0.597 4.558 3.960 0.000 0.000 0.296 267 G HA3 0.597 4.558 3.960 0.000 0.000 0.296 267 G C -0.835 174.136 174.900 0.118 0.000 1.485 267 G CA 0.039 45.200 45.100 0.102 0.000 0.869 267 G HN 0.811 nan 8.290 nan 0.000 0.540 268 G N -0.281 108.594 108.800 0.125 0.000 2.302 268 G HA2 0.183 4.144 3.960 0.000 0.000 0.264 268 G HA3 0.183 4.144 3.960 0.000 0.000 0.264 268 G C 0.121 175.147 174.900 0.210 0.000 1.335 268 G CA 0.313 45.506 45.100 0.156 0.000 0.982 268 G HN 1.032 nan 8.290 nan 0.000 0.473 269 W N 0.108 121.364 121.300 -0.072 0.000 3.695 269 W HA 0.314 4.975 4.660 0.000 0.000 0.238 269 W C 0.600 176.849 176.519 -0.450 0.000 1.486 269 W CA 0.510 57.703 57.345 -0.252 0.000 2.366 269 W CB 0.156 29.503 29.460 -0.189 0.000 1.392 269 W HN 0.479 nan 8.180 nan 0.000 0.556 270 Q N 2.463 122.172 119.800 -0.153 0.000 2.641 270 Q HA -0.011 4.329 4.340 0.000 0.000 0.225 270 Q C 0.927 176.958 176.000 0.052 0.000 1.309 270 Q CA 0.184 55.931 55.803 -0.094 0.000 0.935 270 Q CB 0.729 29.521 28.738 0.089 0.000 1.557 270 Q HN 0.373 nan 8.270 nan 0.000 0.563 271 Q N 0.145 119.977 119.800 0.053 0.000 2.297 271 Q HA 0.004 4.344 4.340 0.000 0.000 0.204 271 Q C 0.417 176.504 176.000 0.145 0.000 0.962 271 Q CA 0.546 56.417 55.803 0.113 0.000 0.879 271 Q CB 0.609 29.419 28.738 0.121 0.000 0.947 271 Q HN 0.330 nan 8.270 nan 0.000 0.462 272 V N -0.603 119.403 119.914 0.153 0.000 2.876 272 V HA 0.812 4.932 4.120 0.000 0.000 0.312 272 V C -1.748 174.473 176.094 0.211 0.000 1.085 272 V CA -0.687 61.722 62.300 0.181 0.000 0.945 272 V CB 1.926 33.842 31.823 0.155 0.000 1.017 272 V HN 0.071 nan 8.190 nan 0.000 0.428 273 A N 4.710 127.691 122.820 0.269 0.000 2.515 273 A HA 0.883 5.204 4.320 0.000 0.000 0.296 273 A C -2.083 175.753 177.584 0.421 0.000 1.094 273 A CA -0.550 51.659 52.037 0.287 0.000 0.718 273 A CB 1.864 20.972 19.000 0.181 0.000 1.307 273 A HN 1.417 nan 8.150 nan 0.000 0.408 274 Y N 1.590 122.026 120.300 0.225 0.000 2.386 274 Y HA 0.473 5.024 4.550 0.000 0.000 0.334 274 Y C -0.809 175.226 175.900 0.225 0.000 1.002 274 Y CA -0.609 57.631 58.100 0.233 0.000 1.068 274 Y CB 1.372 39.904 38.460 0.119 0.000 1.203 274 Y HN 0.821 nan 8.280 nan 0.000 0.443 275 H N 7.193 126.034 119.070 -0.381 0.000 2.594 275 H HA 0.312 4.868 4.556 0.000 0.000 0.304 275 H C 0.795 175.675 175.328 -0.746 0.000 1.068 275 H CA 0.042 55.879 56.048 -0.351 0.000 1.308 275 H CB 1.243 30.987 29.762 -0.029 0.000 1.409 275 H HN 1.038 nan 8.280 nan 0.000 0.460 276 R N 3.598 123.667 120.500 -0.719 0.000 2.070 276 R HA -0.121 4.219 4.340 0.000 0.000 0.232 276 R C 1.923 178.121 176.300 -0.170 0.000 1.138 276 R CA 1.696 57.550 56.100 -0.410 0.000 0.936 276 R CB -0.261 29.915 30.300 -0.208 0.000 0.839 276 R HN 0.652 nan 8.270 nan 0.000 0.429 277 A N 0.868 123.608 122.820 -0.133 0.000 1.933 277 A HA -0.103 4.218 4.320 0.000 0.000 0.218 277 A C 2.114 179.791 177.584 0.155 0.000 1.175 277 A CA 1.292 53.370 52.037 0.068 0.000 0.628 277 A CB -0.416 18.646 19.000 0.103 0.000 0.814 277 A HN 0.397 nan 8.150 nan 0.000 0.444 278 L N -1.366 120.061 121.223 0.339 0.000 2.558 278 L HA 0.054 4.394 4.340 0.000 0.000 0.225 278 L C 0.419 177.311 176.870 0.037 0.000 1.128 278 L CA 0.371 55.272 54.840 0.103 0.000 0.868 278 L CB -0.331 41.679 42.059 -0.081 0.000 1.006 278 L HN 0.355 nan 8.230 nan 0.000 0.454 279 D N 1.529 121.924 120.400 -0.008 0.000 2.697 279 D HA -0.232 4.409 4.640 0.000 0.000 0.238 279 D C 0.243 176.563 176.300 0.034 0.000 1.152 279 D CA 0.710 54.721 54.000 0.019 0.000 0.666 279 D CB -0.326 40.532 40.800 0.097 0.000 1.037 279 D HN 0.311 nan 8.370 nan 0.000 0.423 280 R N 0.404 120.862 120.500 -0.069 0.000 2.686 280 R HA 0.714 5.054 4.340 0.000 0.000 0.283 280 R C -0.494 175.820 176.300 0.023 0.000 0.978 280 R CA -0.874 55.193 56.100 -0.055 0.000 0.897 280 R CB 1.078 31.301 30.300 -0.128 0.000 1.192 280 R HN 0.142 nan 8.270 nan 0.000 0.457 281 I N 3.734 124.278 120.570 -0.044 0.000 2.412 281 I HA 0.329 4.499 4.170 0.000 0.000 0.296 281 I C -1.087 174.923 176.117 -0.178 0.000 0.987 281 I CA -0.831 60.516 61.300 0.078 0.000 1.180 281 I CB 1.385 39.452 38.000 0.111 0.000 1.340 281 I HN 0.527 nan 8.210 nan 0.000 0.455 282 Y N 6.285 126.637 120.300 0.087 0.000 2.341 282 Y HA 0.640 5.190 4.550 0.000 0.000 0.338 282 Y C -0.529 175.412 175.900 0.069 0.000 0.965 282 Y CA -0.911 57.220 58.100 0.051 0.000 1.108 282 Y CB 1.648 40.152 38.460 0.074 0.000 1.180 282 Y HN 0.334 nan 8.280 nan 0.000 0.458 283 L N 4.030 125.343 121.223 0.151 0.000 2.410 283 L HA 0.574 4.914 4.340 0.000 0.000 0.270 283 L C -1.457 175.501 176.870 0.146 0.000 0.983 283 L CA -0.639 54.285 54.840 0.141 0.000 0.822 283 L CB 1.603 43.718 42.059 0.094 0.000 1.285 283 L HN 0.623 nan 8.230 nan 0.000 0.409 284 L N 5.700 127.021 121.223 0.163 0.000 2.360 284 L HA 0.605 4.945 4.340 0.000 0.000 0.276 284 L C -0.315 176.672 176.870 0.195 0.000 1.121 284 L CA -0.349 54.598 54.840 0.179 0.000 0.845 284 L CB 1.114 43.271 42.059 0.162 0.000 1.143 284 L HN 0.608 nan 8.230 nan 0.000 0.452 285 V N -0.132 119.940 119.914 0.262 0.000 3.159 285 V HA 0.790 4.910 4.120 0.000 0.000 0.308 285 V C -1.150 175.195 176.094 0.417 0.000 1.190 285 V CA -0.647 61.839 62.300 0.310 0.000 1.037 285 V CB 2.435 34.455 31.823 0.329 0.000 1.060 285 V HN 0.733 nan 8.190 nan 0.000 0.437 286 D N -0.398 120.169 120.400 0.277 0.000 2.809 286 D HA 0.270 4.911 4.640 0.000 0.000 0.336 286 D C -1.536 174.459 176.300 -0.508 0.000 1.367 286 D CA -0.452 53.520 54.000 -0.046 0.000 0.815 286 D CB 2.035 42.896 40.800 0.102 0.000 1.381 286 D HN 0.804 nan 8.370 nan 0.000 0.471 287 Q N 0.843 120.155 119.800 -0.812 0.000 2.274 287 Q HA 0.599 4.939 4.340 0.000 0.000 0.256 287 Q C -0.324 175.484 176.000 -0.320 0.000 0.927 287 Q CA -0.281 55.086 55.803 -0.728 0.000 0.939 287 Q CB 1.809 30.049 28.738 -0.831 0.000 1.201 287 Q HN 0.292 nan 8.270 nan 0.000 0.426 288 R N 0.041 120.414 120.500 -0.211 0.000 2.692 288 R HA 0.366 4.706 4.340 0.000 0.000 0.269 288 R C -1.518 174.735 176.300 -0.079 0.000 1.030 288 R CA -1.054 54.981 56.100 -0.108 0.000 0.882 288 R CB 0.754 31.018 30.300 -0.060 0.000 1.250 288 R HN 0.496 nan 8.270 nan 0.000 0.465 289 D N 0.404 120.780 120.400 -0.039 0.000 2.378 289 D HA -0.084 4.556 4.640 0.000 0.000 0.238 289 D C 1.072 177.338 176.300 -0.057 0.000 1.180 289 D CA 0.198 54.185 54.000 -0.023 0.000 0.895 289 D CB 1.080 41.902 40.800 0.037 0.000 1.192 289 D HN 0.665 nan 8.370 nan 0.000 0.438 290 E N 1.275 121.389 120.200 -0.142 0.000 2.153 290 E HA -0.197 4.154 4.350 0.000 0.000 0.194 290 E C 0.827 177.169 176.600 -0.430 0.000 0.988 290 E CA 0.848 57.043 56.400 -0.342 0.000 0.811 290 E CB -0.301 29.083 29.700 -0.527 0.000 0.746 290 E HN 0.669 nan 8.360 nan 0.000 0.466 291 W N 0.725 122.085 121.300 0.100 0.000 3.400 291 W HA 0.242 4.902 4.660 0.000 0.000 0.347 291 W C 0.538 177.169 176.519 0.187 0.000 1.218 291 W CA -0.953 56.500 57.345 0.180 0.000 1.837 291 W CB 0.720 30.257 29.460 0.128 0.000 1.067 291 W HN -0.163 nan 8.180 nan 0.000 0.701 292 R N 0.782 121.425 120.500 0.240 0.000 2.935 292 R HA 0.068 4.408 4.340 0.000 0.000 0.354 292 R C 1.388 177.716 176.300 0.047 0.000 1.206 292 R CA -0.020 56.144 56.100 0.107 0.000 1.082 292 R CB -1.139 29.197 30.300 0.061 0.000 1.431 292 R HN 0.486 nan 8.270 nan 0.000 0.582 293 H N -0.761 118.280 119.070 -0.049 0.000 2.545 293 H HA 0.079 4.635 4.556 0.000 0.000 0.282 293 H C 0.239 175.558 175.328 -0.015 0.000 1.020 293 H CA 0.558 56.528 56.048 -0.130 0.000 1.243 293 H CB 0.302 29.802 29.762 -0.437 0.000 1.377 293 H HN 0.081 nan 8.280 nan 0.000 0.581 294 K N 1.429 121.723 120.400 -0.176 0.000 2.358 294 K HA 0.079 4.399 4.320 0.000 0.000 0.197 294 K C 0.458 177.093 176.600 0.059 0.000 1.025 294 K CA 0.277 56.566 56.287 0.003 0.000 1.104 294 K CB 0.795 33.319 32.500 0.041 0.000 0.855 294 K HN 0.329 nan 8.250 nan 0.000 0.531 295 T N -0.762 113.810 114.554 0.029 0.000 2.868 295 T HA 0.459 4.809 4.350 0.000 0.000 0.292 295 T C 0.576 175.316 174.700 0.067 0.000 1.028 295 T CA -0.940 61.186 62.100 0.042 0.000 1.059 295 T CB 1.428 70.312 68.868 0.028 0.000 0.991 295 T HN 0.103 nan 8.240 nan 0.000 0.531 296 A N 1.862 124.720 122.820 0.064 0.000 2.406 296 A HA 0.548 4.868 4.320 0.000 0.000 0.243 296 A C 0.539 178.173 177.584 0.083 0.000 1.082 296 A CA -0.573 51.510 52.037 0.077 0.000 0.786 296 A CB -0.126 18.913 19.000 0.065 0.000 1.029 296 A HN 0.861 nan 8.150 nan 0.000 0.495 297 S N -0.758 115.004 115.700 0.103 0.000 2.566 297 S HA 0.529 5.000 4.470 0.000 0.000 0.298 297 S C 0.531 175.197 174.600 0.111 0.000 1.083 297 S CA -0.705 57.577 58.200 0.138 0.000 0.978 297 S CB 1.782 65.091 63.200 0.181 0.000 1.073 297 S HN 0.637 nan 8.310 nan 0.000 0.491 298 R N -0.024 120.549 120.500 0.122 0.000 2.397 298 R HA 0.327 4.668 4.340 0.000 0.000 0.241 298 R C -0.959 175.079 176.300 -0.438 0.000 0.914 298 R CA 0.361 56.349 56.100 -0.186 0.000 1.071 298 R CB 0.273 30.353 30.300 -0.368 0.000 1.116 298 R HN 0.416 nan 8.270 nan 0.000 0.524 299 F N -0.882 119.157 119.950 0.148 0.000 2.603 299 F HA 0.486 5.013 4.527 0.000 0.000 0.317 299 F C -0.303 175.581 175.800 0.141 0.000 1.066 299 F CA -1.291 56.812 58.000 0.171 0.000 0.941 299 F CB 1.784 40.952 39.000 0.279 0.000 1.291 299 F HN -0.444 nan 8.300 nan 0.000 0.472 300 V N 2.612 122.702 119.914 0.293 0.000 2.577 300 V HA 0.560 4.680 4.120 0.000 0.000 0.303 300 V C -0.867 175.218 176.094 -0.016 0.000 1.042 300 V CA -0.948 61.451 62.300 0.166 0.000 0.872 300 V CB 1.996 33.939 31.823 0.200 0.000 0.998 300 V HN 0.646 nan 8.190 nan 0.000 0.423 301 V N 3.844 123.727 119.914 -0.051 0.000 2.539 301 V HA 0.822 4.942 4.120 0.000 0.000 0.292 301 V C -0.392 175.548 176.094 -0.258 0.000 1.045 301 V CA -0.496 61.691 62.300 -0.189 0.000 0.945 301 V CB 1.619 33.348 31.823 -0.157 0.000 0.993 301 V HN 0.491 nan 8.190 nan 0.000 0.464 302 V N 6.359 126.034 119.914 -0.400 0.000 2.495 302 V HA 0.674 4.794 4.120 0.000 0.000 0.298 302 V C -0.102 175.779 176.094 -0.355 0.000 1.031 302 V CA -0.412 61.592 62.300 -0.493 0.000 0.871 302 V CB 1.198 32.641 31.823 -0.633 0.000 0.988 302 V HN 1.051 nan 8.190 nan 0.000 0.432 303 L N 0.597 121.631 121.223 -0.316 0.000 2.393 303 L HA 0.758 5.099 4.340 0.000 0.000 0.260 303 L C -0.605 176.174 176.870 -0.152 0.000 1.002 303 L CA -0.744 53.978 54.840 -0.196 0.000 0.818 303 L CB 2.198 44.178 42.059 -0.133 0.000 1.369 303 L HN 0.447 nan 8.230 nan 0.000 0.412 304 D N 1.332 121.669 120.400 -0.104 0.000 2.383 304 D HA 0.259 4.899 4.640 0.000 0.000 0.252 304 D C 0.852 177.141 176.300 -0.017 0.000 1.166 304 D CA 0.518 54.482 54.000 -0.059 0.000 0.879 304 D CB 2.264 43.034 40.800 -0.051 0.000 1.164 304 D HN 0.801 nan 8.370 nan 0.000 0.462 305 A N 4.796 127.637 122.820 0.034 0.000 2.015 305 A HA -0.150 4.170 4.320 0.000 0.000 0.219 305 A C 1.990 179.596 177.584 0.037 0.000 1.163 305 A CA 1.180 53.260 52.037 0.072 0.000 0.646 305 A CB 0.013 19.135 19.000 0.204 0.000 0.806 305 A HN 0.552 nan 8.150 nan 0.000 0.448 306 K N -0.574 119.843 120.400 0.028 0.000 2.062 306 K HA -0.067 4.253 4.320 0.000 0.000 0.205 306 K C 2.026 178.624 176.600 -0.002 0.000 1.051 306 K CA 1.864 58.159 56.287 0.013 0.000 0.941 306 K CB -0.187 32.319 32.500 0.011 0.000 0.719 306 K HN 0.642 nan 8.250 nan 0.000 0.440 307 T N -4.322 110.226 114.554 -0.011 0.000 3.001 307 T HA 0.253 4.603 4.350 0.000 0.000 0.251 307 T C 1.409 176.092 174.700 -0.029 0.000 1.040 307 T CA 0.361 62.449 62.100 -0.020 0.000 0.985 307 T CB 0.744 69.598 68.868 -0.023 0.000 1.011 307 T HN 0.281 nan 8.240 nan 0.000 0.509 308 G N 1.505 110.285 108.800 -0.033 0.000 2.179 308 G HA2 -0.280 3.681 3.960 0.000 0.000 0.260 308 G HA3 -0.280 3.681 3.960 0.000 0.000 0.260 308 G C -0.144 174.721 174.900 -0.059 0.000 0.977 308 G CA 0.296 45.369 45.100 -0.045 0.000 0.641 308 G HN 0.867 nan 8.290 nan 0.000 0.533 309 E N 0.676 120.841 120.200 -0.058 0.000 2.376 309 E HA 0.294 4.645 4.350 0.000 0.000 0.266 309 E C 0.766 177.311 176.600 -0.092 0.000 1.009 309 E CA -0.641 55.718 56.400 -0.068 0.000 0.902 309 E CB 0.302 29.968 29.700 -0.057 0.000 0.972 309 E HN 0.424 nan 8.360 nan 0.000 0.439 310 R N 4.773 125.211 120.500 -0.103 0.000 2.347 310 R HA 0.083 4.424 4.340 0.000 0.000 0.304 310 R C 0.568 176.790 176.300 -0.131 0.000 1.072 310 R CA -0.063 55.957 56.100 -0.133 0.000 0.980 310 R CB 0.407 30.620 30.300 -0.145 0.000 0.986 310 R HN 0.684 nan 8.270 nan 0.000 0.448 311 L N 3.296 124.422 121.223 -0.162 0.000 2.515 311 L HA 0.406 4.747 4.340 0.000 0.000 0.223 311 L C 0.420 177.198 176.870 -0.153 0.000 1.079 311 L CA 0.185 54.940 54.840 -0.141 0.000 0.857 311 L CB 0.445 42.415 42.059 -0.149 0.000 1.050 311 L HN 0.765 nan 8.230 nan 0.000 0.476 312 A N 0.168 122.846 122.820 -0.238 0.000 2.567 312 A HA 0.534 4.854 4.320 0.000 0.000 0.291 312 A C -1.534 175.822 177.584 -0.381 0.000 1.048 312 A CA -0.610 51.262 52.037 -0.274 0.000 0.661 312 A CB 1.322 20.127 19.000 -0.326 0.000 1.288 312 A HN -0.055 nan 8.150 nan 0.000 0.424 313 K N 1.288 121.522 120.400 -0.277 0.000 2.613 313 K HA 0.634 4.954 4.320 0.000 0.000 0.248 313 K C -1.906 174.704 176.600 0.017 0.000 0.959 313 K CA -0.396 55.772 56.287 -0.198 0.000 0.855 313 K CB 0.650 33.066 32.500 -0.141 0.000 1.143 313 K HN 0.448 nan 8.250 nan 0.000 0.437 314 F N 2.107 122.115 119.950 0.098 0.000 2.422 314 F HA 0.334 4.862 4.527 0.000 0.000 0.333 314 F C 0.357 176.225 175.800 0.113 0.000 1.095 314 F CA -0.965 57.087 58.000 0.087 0.000 1.038 314 F CB 1.324 40.349 39.000 0.042 0.000 1.156 314 F HN 0.384 nan 8.300 nan 0.000 0.483 315 E N 3.495 123.837 120.200 0.238 0.000 2.130 315 E HA 0.200 4.550 4.350 0.000 0.000 0.284 315 E C 0.386 176.913 176.600 -0.122 0.000 1.018 315 E CA -0.384 55.980 56.400 -0.061 0.000 0.817 315 E CB 1.090 30.763 29.700 -0.045 0.000 1.078 315 E HN 0.490 nan 8.360 nan 0.000 0.396 316 M N 1.245 120.710 119.600 -0.226 0.000 2.349 316 M HA 0.039 4.519 4.480 0.000 0.000 0.266 316 M C 1.496 177.666 176.300 -0.217 0.000 1.076 316 M CA 1.091 56.294 55.300 -0.162 0.000 1.126 316 M CB -0.878 31.629 32.600 -0.155 0.000 1.392 316 M HN 0.942 nan 8.290 nan 0.000 0.440 317 G N 0.561 109.148 108.800 -0.354 0.000 2.159 317 G HA2 -0.245 3.715 3.960 0.000 0.000 0.256 317 G HA3 -0.245 3.715 3.960 0.000 0.000 0.256 317 G C -0.029 174.398 174.900 -0.789 0.000 0.977 317 G CA 0.686 45.481 45.100 -0.508 0.000 0.652 317 G HN 0.570 nan 8.290 nan 0.000 0.531 318 H N -1.092 117.821 119.070 -0.261 0.000 2.990 318 H HA 0.539 5.096 4.556 0.000 0.000 0.336 318 H C -0.932 174.310 175.328 -0.143 0.000 1.306 318 H CA -1.008 54.890 56.048 -0.250 0.000 1.118 318 H CB 0.877 30.334 29.762 -0.509 0.000 1.856 318 H HN 0.059 nan 8.280 nan 0.000 0.538 319 E N 1.882 122.131 120.200 0.082 0.000 2.052 319 E HA 0.155 4.506 4.350 0.000 0.000 0.283 319 E C -0.350 176.306 176.600 0.092 0.000 1.071 319 E CA -0.173 56.263 56.400 0.061 0.000 0.851 319 E CB 0.824 30.560 29.700 0.060 0.000 1.066 319 E HN 0.240 nan 8.360 nan 0.000 0.396 320 I N 2.881 123.503 120.570 0.086 0.000 2.377 320 I HA 0.125 4.296 4.170 0.000 0.000 0.293 320 I C 1.110 177.293 176.117 0.109 0.000 0.987 320 I CA -0.351 61.016 61.300 0.112 0.000 1.185 320 I CB 1.300 39.362 38.000 0.102 0.000 1.341 320 I HN 0.390 nan 8.210 nan 0.000 0.455 321 D N 2.884 123.350 120.400 0.110 0.000 2.324 321 D HA 0.074 4.714 4.640 0.000 0.000 0.212 321 D C 0.099 176.490 176.300 0.152 0.000 0.984 321 D CA 0.771 54.843 54.000 0.121 0.000 0.885 321 D CB 0.997 41.846 40.800 0.081 0.000 0.996 321 D HN 0.387 nan 8.370 nan 0.000 0.505 322 S N 0.036 115.821 115.700 0.141 0.000 2.549 322 S HA 0.603 5.073 4.470 0.000 0.000 0.280 322 S C -0.345 174.344 174.600 0.149 0.000 1.109 322 S CA -0.777 57.515 58.200 0.153 0.000 0.905 322 S CB 2.474 65.775 63.200 0.169 0.000 1.081 322 S HN 0.163 nan 8.310 nan 0.000 0.477 323 I N 0.111 120.772 120.570 0.152 0.000 2.934 323 I HA 0.821 4.991 4.170 0.000 0.000 0.306 323 I C -0.888 175.328 176.117 0.165 0.000 1.110 323 I CA -0.671 60.722 61.300 0.155 0.000 1.019 323 I CB 2.355 40.438 38.000 0.139 0.000 1.227 323 I HN 0.508 nan 8.210 nan 0.000 0.434 324 N N 1.371 120.177 118.700 0.176 0.000 3.046 324 N HA 0.724 5.464 4.740 0.000 0.000 0.243 324 N C -1.736 173.853 175.510 0.132 0.000 1.452 324 N CA -0.309 52.850 53.050 0.181 0.000 0.882 324 N CB 2.625 41.248 38.487 0.227 0.000 1.425 324 N HN 0.788 nan 8.380 nan 0.000 0.517 325 V N -1.227 118.735 119.914 0.081 0.000 3.007 325 V HA 0.784 4.905 4.120 0.000 0.000 0.311 325 V C 0.223 176.366 176.094 0.081 0.000 1.120 325 V CA -0.904 61.357 62.300 -0.065 0.000 0.980 325 V CB 1.105 32.791 31.823 -0.227 0.000 1.033 325 V HN 0.761 nan 8.190 nan 0.000 0.429 326 S N 1.774 117.488 115.700 0.022 0.000 2.592 326 S HA 0.331 4.802 4.470 0.000 0.000 0.271 326 S C 0.264 174.918 174.600 0.089 0.000 1.326 326 S CA -0.475 57.796 58.200 0.118 0.000 1.024 326 S CB 1.175 64.438 63.200 0.104 0.000 0.921 326 S HN 0.800 nan 8.310 nan 0.000 0.527 327 Q N 1.260 121.077 119.800 0.027 0.000 2.222 327 Q HA 0.141 4.481 4.340 0.000 0.000 0.206 327 Q C -0.114 175.866 176.000 -0.032 0.000 0.877 327 Q CA -0.064 55.655 55.803 -0.140 0.000 0.958 327 Q CB -0.250 28.392 28.738 -0.160 0.000 1.075 327 Q HN 0.887 nan 8.270 nan 0.000 0.483 328 D N -0.810 119.657 120.400 0.111 0.000 2.451 328 D HA 0.006 4.647 4.640 0.000 0.000 0.259 328 D C 0.810 177.225 176.300 0.191 0.000 1.201 328 D CA -0.502 53.566 54.000 0.115 0.000 1.028 328 D CB 0.957 41.799 40.800 0.070 0.000 1.095 328 D HN -0.140 nan 8.370 nan 0.000 0.539 329 E N -0.828 119.435 120.200 0.105 0.000 2.110 329 E HA -0.168 4.182 4.350 0.000 0.000 0.193 329 E C 0.393 177.010 176.600 0.028 0.000 0.988 329 E CA 0.967 57.414 56.400 0.078 0.000 0.804 329 E CB 0.159 29.886 29.700 0.044 0.000 0.745 329 E HN 0.331 nan 8.360 nan 0.000 0.458 330 K N 1.145 121.556 120.400 0.018 0.000 2.624 330 K HA 0.214 4.534 4.320 0.000 0.000 0.200 330 K C -2.660 173.926 176.600 -0.024 0.000 1.036 330 K CA -2.162 54.114 56.287 -0.019 0.000 1.029 330 K CB 1.149 33.639 32.500 -0.016 0.000 1.317 330 K HN -0.091 nan 8.250 nan 0.000 0.555 331 P HA 0.009 nan 4.420 nan 0.000 0.270 331 P C -0.479 176.751 177.300 -0.117 0.000 1.223 331 P CA -0.131 62.945 63.100 -0.040 0.000 0.785 331 P CB 0.897 32.581 31.700 -0.026 0.000 0.923 332 L N 1.428 122.527 121.223 -0.206 0.000 2.343 332 L HA 0.435 4.776 4.340 0.000 0.000 0.275 332 L C 0.371 176.918 176.870 -0.539 0.000 1.056 332 L CA -1.120 53.497 54.840 -0.372 0.000 0.804 332 L CB 1.111 42.847 42.059 -0.538 0.000 1.203 332 L HN 0.270 nan 8.230 nan 0.000 0.440 333 L N 2.625 123.594 121.223 -0.424 0.000 2.298 333 L HA 0.441 4.781 4.340 0.000 0.000 0.284 333 L C -1.166 175.547 176.870 -0.262 0.000 1.013 333 L CA -0.009 54.632 54.840 -0.332 0.000 0.824 333 L CB 0.796 42.784 42.059 -0.118 0.000 1.221 333 L HN 0.202 nan 8.230 nan 0.000 0.418 334 Y N 4.103 124.424 120.300 0.035 0.000 2.320 334 Y HA 0.709 5.259 4.550 0.000 0.000 0.334 334 Y C 0.402 176.352 175.900 0.083 0.000 1.055 334 Y CA -0.638 57.506 58.100 0.073 0.000 1.143 334 Y CB 1.727 40.214 38.460 0.046 0.000 1.193 334 Y HN 0.725 nan 8.280 nan 0.000 0.477 335 A N 4.437 127.434 122.820 0.295 0.000 2.410 335 A HA 0.583 4.904 4.320 0.000 0.000 0.289 335 A C -1.692 176.042 177.584 0.250 0.000 1.200 335 A CA -0.594 51.578 52.037 0.226 0.000 0.751 335 A CB 0.378 19.481 19.000 0.171 0.000 1.161 335 A HN 0.667 nan 8.150 nan 0.000 0.459 336 L N 2.676 123.999 121.223 0.167 0.000 2.289 336 L HA 0.688 5.028 4.340 0.000 0.000 0.285 336 L C 0.280 177.212 176.870 0.103 0.000 1.049 336 L CA 0.207 55.104 54.840 0.094 0.000 0.804 336 L CB 1.727 43.813 42.059 0.045 0.000 1.195 336 L HN 0.508 nan 8.230 nan 0.000 0.428 337 S N 2.485 118.239 115.700 0.090 0.000 2.438 337 S HA 0.336 4.806 4.470 0.000 0.000 0.316 337 S C 0.925 175.528 174.600 0.005 0.000 1.084 337 S CA -0.304 57.952 58.200 0.095 0.000 1.107 337 S CB 0.919 64.239 63.200 0.199 0.000 0.981 337 S HN 0.849 nan 8.310 nan 0.000 0.466 338 T N 4.443 118.992 114.554 -0.009 0.000 2.821 338 T HA 0.014 4.364 4.350 0.000 0.000 0.267 338 T C 1.982 176.672 174.700 -0.017 0.000 1.046 338 T CA 1.409 63.477 62.100 -0.054 0.000 1.139 338 T CB -0.572 68.248 68.868 -0.081 0.000 0.871 338 T HN 0.762 nan 8.240 nan 0.000 0.454 339 G N 1.489 110.299 108.800 0.016 0.000 2.403 339 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 339 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 339 G C 1.148 176.057 174.900 0.015 0.000 1.154 339 G CA 0.616 45.732 45.100 0.027 0.000 0.784 339 G HN 0.379 nan 8.290 nan 0.000 0.538 340 D N 0.427 120.837 120.400 0.017 0.000 2.347 340 D HA 0.074 4.714 4.640 0.000 0.000 0.213 340 D C 0.771 177.022 176.300 -0.082 0.000 0.985 340 D CA 0.227 54.224 54.000 -0.004 0.000 0.879 340 D CB 0.035 40.865 40.800 0.050 0.000 0.919 340 D HN 0.181 nan 8.370 nan 0.000 0.526 341 K N -0.385 119.953 120.400 -0.104 0.000 3.077 341 K HA -0.141 4.179 4.320 0.000 0.000 0.264 341 K C -0.659 175.781 176.600 -0.266 0.000 1.008 341 K CA 0.672 56.850 56.287 -0.182 0.000 0.740 341 K CB -2.120 30.266 32.500 -0.189 0.000 1.273 341 K HN 0.062 nan 8.250 nan 0.000 0.477 342 T N 0.080 114.461 114.554 -0.289 0.000 2.912 342 T HA 0.539 4.889 4.350 0.000 0.000 0.299 342 T C -1.181 173.214 174.700 -0.510 0.000 1.052 342 T CA -0.880 60.940 62.100 -0.467 0.000 0.996 342 T CB 1.696 70.172 68.868 -0.654 0.000 1.070 342 T HN 0.177 nan 8.240 nan 0.000 0.465 343 L N 3.705 124.646 121.223 -0.469 0.000 2.257 343 L HA 0.554 4.894 4.340 0.000 0.000 0.290 343 L C -1.516 175.150 176.870 -0.340 0.000 1.044 343 L CA -0.370 54.298 54.840 -0.287 0.000 0.810 343 L CB -0.023 41.920 42.059 -0.193 0.000 1.193 343 L HN 0.587 nan 8.230 nan 0.000 0.425 344 Y N 5.546 125.869 120.300 0.039 0.000 2.320 344 Y HA 0.506 5.057 4.550 0.000 0.000 0.334 344 Y C 0.118 176.144 175.900 0.210 0.000 1.055 344 Y CA -0.405 57.743 58.100 0.080 0.000 1.143 344 Y CB 1.047 39.601 38.460 0.157 0.000 1.193 344 Y HN 0.414 nan 8.280 nan 0.000 0.477 345 I N 4.478 125.186 120.570 0.230 0.000 2.354 345 I HA 0.297 4.468 4.170 0.000 0.000 0.292 345 I C -0.151 175.993 176.117 0.045 0.000 0.989 345 I CA -0.388 61.031 61.300 0.198 0.000 1.188 345 I CB 0.725 38.811 38.000 0.143 0.000 1.342 345 I HN 0.631 nan 8.210 nan 0.000 0.457 346 H N 3.823 122.862 119.070 -0.051 0.000 2.771 346 H HA 0.251 4.807 4.556 0.000 0.000 0.367 346 H C -1.068 174.166 175.328 -0.156 0.000 1.172 346 H CA -0.795 55.195 56.048 -0.096 0.000 1.186 346 H CB 2.655 32.352 29.762 -0.108 0.000 1.790 346 H HN 0.520 nan 8.280 nan 0.000 0.556 347 D N 0.694 121.066 120.400 -0.046 0.000 2.317 347 D HA 0.126 4.766 4.640 0.000 0.000 0.252 347 D C 0.627 176.867 176.300 -0.099 0.000 1.174 347 D CA -0.099 53.849 54.000 -0.086 0.000 0.866 347 D CB 1.379 42.123 40.800 -0.094 0.000 1.127 347 D HN 0.645 nan 8.370 nan 0.000 0.467 348 A N 3.963 126.753 122.820 -0.049 0.000 2.119 348 A HA -0.129 4.191 4.320 0.000 0.000 0.217 348 A C 1.812 179.542 177.584 0.243 0.000 1.153 348 A CA 1.050 53.138 52.037 0.084 0.000 0.692 348 A CB -0.062 18.942 19.000 0.006 0.000 0.799 348 A HN 0.661 nan 8.150 nan 0.000 0.458 349 E N 0.008 120.266 120.200 0.096 0.000 2.102 349 E HA -0.072 4.278 4.350 0.000 0.000 0.190 349 E C 2.141 178.817 176.600 0.126 0.000 0.971 349 E CA 1.367 57.850 56.400 0.139 0.000 0.821 349 E CB -0.029 29.700 29.700 0.048 0.000 0.777 349 E HN 0.590 nan 8.360 nan 0.000 0.460 350 S N -1.606 114.054 115.700 -0.066 0.000 2.492 350 S HA 0.238 4.708 4.470 0.000 0.000 0.218 350 S C 1.692 175.981 174.600 -0.518 0.000 1.016 350 S CA 0.527 58.646 58.200 -0.136 0.000 0.916 350 S CB 0.494 63.637 63.200 -0.095 0.000 0.791 350 S HN 0.481 nan 8.310 nan 0.000 0.513 351 G N 1.599 109.830 108.800 -0.948 0.000 2.159 351 G HA2 -0.300 3.660 3.960 0.000 0.000 0.256 351 G HA3 -0.300 3.660 3.960 0.000 0.000 0.256 351 G C -0.168 174.497 174.900 -0.391 0.000 0.977 351 G CA 0.367 44.591 45.100 -1.460 0.000 0.652 351 G HN 0.881 nan 8.290 nan 0.000 0.531 352 E N 0.874 120.928 120.200 -0.243 0.000 2.331 352 E HA 0.379 4.729 4.350 0.000 0.000 0.272 352 E C 0.130 176.618 176.600 -0.187 0.000 1.036 352 E CA -0.411 55.911 56.400 -0.130 0.000 0.864 352 E CB 0.526 30.152 29.700 -0.122 0.000 1.035 352 E HN 0.414 nan 8.360 nan 0.000 0.408 353 E N 4.533 124.537 120.200 -0.328 0.000 2.299 353 E HA 0.031 4.381 4.350 0.000 0.000 0.272 353 E C 0.340 176.766 176.600 -0.290 0.000 1.043 353 E CA -0.151 55.873 56.400 -0.627 0.000 0.895 353 E CB 0.615 30.011 29.700 -0.507 0.000 1.011 353 E HN 0.663 nan 8.360 nan 0.000 0.432 354 L N 4.745 125.822 121.223 -0.243 0.000 2.286 354 L HA 0.226 4.566 4.340 0.000 0.000 0.203 354 L C 1.116 177.939 176.870 -0.077 0.000 1.068 354 L CA 0.274 55.041 54.840 -0.121 0.000 0.811 354 L CB -0.132 41.875 42.059 -0.087 0.000 0.989 354 L HN 0.581 nan 8.230 nan 0.000 0.467 355 R N -0.630 119.832 120.500 -0.064 0.000 2.741 355 R HA 0.572 4.913 4.340 0.000 0.000 0.274 355 R C -1.273 175.012 176.300 -0.024 0.000 1.029 355 R CA -0.566 55.513 56.100 -0.035 0.000 0.880 355 R CB 1.544 31.826 30.300 -0.031 0.000 1.264 355 R HN -0.067 nan 8.270 nan 0.000 0.465 356 S N -0.160 115.503 115.700 -0.060 0.000 2.556 356 S HA 0.636 5.106 4.470 0.000 0.000 0.271 356 S C -1.244 173.239 174.600 -0.194 0.000 1.135 356 S CA -0.689 57.418 58.200 -0.155 0.000 0.858 356 S CB 2.314 65.411 63.200 -0.171 0.000 1.114 356 S HN 0.434 nan 8.310 nan 0.000 0.468 357 V N 4.119 123.869 119.914 -0.272 0.000 2.443 357 V HA 0.527 4.647 4.120 0.000 0.000 0.293 357 V C -0.393 175.510 176.094 -0.318 0.000 1.021 357 V CA -0.760 61.395 62.300 -0.241 0.000 0.848 357 V CB 1.061 32.758 31.823 -0.211 0.000 0.998 357 V HN 1.026 nan 8.190 nan 0.000 0.424 358 N N 3.112 121.648 118.700 -0.274 0.000 2.604 358 N HA 0.361 5.101 4.740 0.000 0.000 0.297 358 N C 0.022 175.364 175.510 -0.279 0.000 1.266 358 N CA -0.872 52.007 53.050 -0.285 0.000 0.961 358 N CB 0.504 38.862 38.487 -0.216 0.000 1.166 358 N HN 0.572 nan 8.380 nan 0.000 0.601 359 Q N -1.248 118.397 119.800 -0.258 0.000 2.487 359 Q HA -0.129 4.211 4.340 0.000 0.000 0.279 359 Q C -0.736 175.025 176.000 -0.398 0.000 1.228 359 Q CA 0.337 55.990 55.803 -0.250 0.000 0.873 359 Q CB -1.932 26.708 28.738 -0.163 0.000 1.260 359 Q HN 0.507 nan 8.270 nan 0.000 0.471 360 L N 0.583 121.477 121.223 -0.548 0.000 2.583 360 L HA 0.327 4.668 4.340 0.000 0.000 0.239 360 L C 1.321 177.788 176.870 -0.672 0.000 1.347 360 L CA 0.467 54.706 54.840 -1.002 0.000 1.246 360 L CB -0.765 40.734 42.059 -0.932 0.000 1.496 360 L HN 0.553 nan 8.230 nan 0.000 0.413 361 G N 0.040 108.629 108.800 -0.352 0.000 2.584 361 G HA2 -0.263 3.697 3.960 0.000 0.000 0.229 361 G HA3 -0.263 3.697 3.960 0.000 0.000 0.229 361 G C 0.400 175.051 174.900 -0.415 0.000 1.320 361 G CA -0.143 44.840 45.100 -0.195 0.000 0.891 361 G HN 0.448 nan 8.290 nan 0.000 0.573 362 H N 0.572 119.623 119.070 -0.031 0.000 2.476 362 H HA 0.327 4.883 4.556 0.000 0.000 0.292 362 H C 1.855 177.080 175.328 -0.171 0.000 1.019 362 H CA 1.403 57.419 56.048 -0.054 0.000 1.330 362 H CB 0.860 30.614 29.762 -0.014 0.000 1.451 362 H HN 1.260 nan 8.280 nan 0.000 0.535 363 G N 2.453 111.101 108.800 -0.253 0.000 4.775 363 G HA2 0.136 4.097 3.960 0.000 0.000 0.222 363 G HA3 0.136 4.097 3.960 0.000 0.000 0.222 363 G C -3.003 171.674 174.900 -0.371 0.000 0.974 363 G CA -0.720 44.073 45.100 -0.511 0.000 0.614 363 G HN -0.060 nan 8.290 nan 0.000 0.427 364 P HA 0.079 nan 4.420 nan 0.000 0.265 364 P C -0.086 177.104 177.300 -0.185 0.000 1.193 364 P CA 0.536 63.535 63.100 -0.169 0.000 0.765 364 P CB 1.877 33.477 31.700 -0.167 0.000 0.823 365 Q N 0.797 120.504 119.800 -0.155 0.000 2.237 365 Q HA 0.170 4.510 4.340 0.000 0.000 0.254 365 Q C -0.236 175.794 176.000 0.050 0.000 0.771 365 Q CA 0.131 55.834 55.803 -0.166 0.000 0.958 365 Q CB 1.008 29.462 28.738 -0.474 0.000 1.202 365 Q HN 0.251 nan 8.270 nan 0.000 0.492 366 V N 2.001 121.966 119.914 0.084 0.000 2.495 366 V HA 0.451 4.571 4.120 0.000 0.000 0.298 366 V C -0.511 175.645 176.094 0.104 0.000 1.031 366 V CA -0.542 61.853 62.300 0.159 0.000 0.871 366 V CB 1.839 33.767 31.823 0.175 0.000 0.988 366 V HN 0.142 nan 8.190 nan 0.000 0.432 367 I N 3.577 124.214 120.570 0.112 0.000 2.404 367 I HA 0.545 4.715 4.170 0.000 0.000 0.293 367 I C -0.028 176.142 176.117 0.088 0.000 0.992 367 I CA -0.082 61.263 61.300 0.075 0.000 1.149 367 I CB 2.067 40.115 38.000 0.080 0.000 1.315 367 I HN 0.538 nan 8.210 nan 0.000 0.446 368 T N 3.401 118.007 114.554 0.087 0.000 2.861 368 T HA 0.622 4.972 4.350 0.000 0.000 0.287 368 T C -0.236 174.552 174.700 0.146 0.000 1.003 368 T CA -0.677 61.473 62.100 0.084 0.000 0.977 368 T CB 1.860 70.727 68.868 -0.002 0.000 0.996 368 T HN 0.749 nan 8.240 nan 0.000 0.448 369 T N -0.710 113.923 114.554 0.133 0.000 2.896 369 T HA 0.849 5.199 4.350 0.000 0.000 0.297 369 T C -0.592 174.177 174.700 0.116 0.000 1.108 369 T CA -1.000 61.196 62.100 0.161 0.000 1.004 369 T CB 1.754 70.728 68.868 0.177 0.000 1.159 369 T HN 0.735 nan 8.240 nan 0.000 0.499 370 A N 0.869 123.756 122.820 0.112 0.000 2.303 370 A HA 0.631 4.952 4.320 0.000 0.000 0.317 370 A C -0.209 177.401 177.584 0.043 0.000 1.149 370 A CA -0.612 51.459 52.037 0.057 0.000 0.822 370 A CB 0.682 19.712 19.000 0.050 0.000 1.131 370 A HN 0.865 nan 8.150 nan 0.000 0.493 371 D N 2.701 123.112 120.400 0.019 0.000 2.518 371 D HA 0.325 4.965 4.640 0.000 0.000 0.230 371 D C 0.697 176.995 176.300 -0.003 0.000 1.138 371 D CA -0.098 53.900 54.000 -0.004 0.000 0.964 371 D CB 0.203 40.992 40.800 -0.019 0.000 1.011 371 D HN 0.481 nan 8.370 nan 0.000 0.517 372 M N 0.744 120.347 119.600 0.006 0.000 2.492 372 M HA 0.131 4.611 4.480 0.000 0.000 0.262 372 M C 1.422 177.726 176.300 0.006 0.000 1.090 372 M CA 0.122 55.428 55.300 0.009 0.000 1.110 372 M CB 0.265 32.877 32.600 0.019 0.000 1.407 372 M HN 0.220 nan 8.290 nan 0.000 0.470 373 G N 0.000 108.800 108.800 -0.001 0.000 5.446 373 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 373 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 373 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 373 G HN 0.000 nan 8.290 nan 0.000 0.925