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 2adm_1_B DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTGYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VGXXXXXXXX DATA SEQUENCE VFKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPST DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG FHT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.055 176.094 -0.065 0.000 1.182 21 V CA 0.000 62.112 62.300 -0.314 0.000 1.235 21 V CB 0.000 31.684 31.823 -0.232 0.000 1.184 22 E N 0.605 120.799 120.200 -0.009 0.000 2.414 22 E HA -0.132 4.217 4.350 -0.000 0.000 0.173 22 E C 0.010 176.701 176.600 0.152 0.000 1.551 22 E CA 1.092 57.527 56.400 0.059 0.000 0.661 22 E CB -1.757 27.971 29.700 0.046 0.000 1.108 22 E HN 1.435 nan 8.360 nan 0.000 0.365 23 T N 4.619 119.265 114.554 0.154 0.000 2.793 23 T HA 0.229 4.579 4.350 -0.000 0.000 0.289 23 T C -2.040 172.703 174.700 0.071 0.000 0.956 23 T CA -0.454 61.766 62.100 0.201 0.000 1.177 23 T CB 0.503 69.468 68.868 0.162 0.000 0.897 23 T HN 0.222 nan 8.240 nan 0.000 0.533 24 P HA 0.079 nan 4.420 nan 0.000 0.265 24 P C -1.759 175.549 177.300 0.014 0.000 1.187 24 P CA -1.266 61.845 63.100 0.019 0.000 0.766 24 P CB 0.170 31.867 31.700 -0.004 0.000 0.820 25 P HA -0.250 nan 4.420 nan 0.000 0.215 25 P C 1.379 178.704 177.300 0.042 0.000 1.163 25 P CA 1.638 64.739 63.100 0.000 0.000 0.894 25 P CB -0.219 31.480 31.700 -0.003 0.000 0.791 26 E N -0.449 119.792 120.200 0.070 0.000 2.204 26 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 26 E C 1.950 178.721 176.600 0.284 0.000 0.990 26 E CA 1.144 57.628 56.400 0.140 0.000 0.821 26 E CB -1.478 28.257 29.700 0.058 0.000 0.750 26 E HN 0.154 nan 8.360 nan 0.000 0.477 27 V N 1.477 121.520 119.914 0.215 0.000 2.379 27 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 27 V C 2.643 178.842 176.094 0.174 0.000 1.044 27 V CA 1.217 63.600 62.300 0.139 0.000 1.036 27 V CB -0.292 31.512 31.823 -0.032 0.000 0.664 27 V HN 0.086 nan 8.190 nan 0.000 0.453 28 V N 0.301 120.276 119.914 0.102 0.000 2.343 28 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 28 V C 2.296 178.462 176.094 0.119 0.000 1.051 28 V CA 2.159 64.493 62.300 0.056 0.000 1.036 28 V CB -0.718 30.991 31.823 -0.190 0.000 0.654 28 V HN 0.540 nan 8.190 nan 0.000 0.451 29 D N -0.439 120.032 120.400 0.118 0.000 2.117 29 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 29 D C 1.886 178.289 176.300 0.171 0.000 0.987 29 D CA 1.301 55.377 54.000 0.127 0.000 0.829 29 D CB -0.332 40.536 40.800 0.114 0.000 0.961 29 D HN 0.441 nan 8.370 nan 0.000 0.460 30 F N 1.179 121.166 119.950 0.061 0.000 2.102 30 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 30 F C 2.362 178.135 175.800 -0.044 0.000 1.105 30 F CA 1.311 59.316 58.000 0.010 0.000 1.239 30 F CB -0.408 38.589 39.000 -0.004 0.000 0.991 30 F HN -0.151 nan 8.300 nan 0.000 0.474 31 M N -0.620 118.941 119.600 -0.066 0.000 2.108 31 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 31 M C 2.029 178.292 176.300 -0.062 0.000 1.066 31 M CA 1.544 56.761 55.300 -0.139 0.000 1.107 31 M CB -0.661 32.014 32.600 0.126 0.000 1.356 31 M HN 0.018 nan 8.290 nan 0.000 0.406 32 V N 0.268 120.232 119.914 0.084 0.000 2.759 32 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 32 V C 2.380 178.552 176.094 0.129 0.000 1.080 32 V CA 1.975 64.369 62.300 0.157 0.000 1.101 32 V CB -0.779 31.167 31.823 0.206 0.000 0.698 32 V HN 0.612 nan 8.190 nan 0.000 0.477 33 S N -0.735 114.966 115.700 0.001 0.000 2.527 33 S HA 0.096 4.566 4.470 -0.000 0.000 0.222 33 S C 1.615 176.150 174.600 -0.108 0.000 0.985 33 S CA 0.609 58.798 58.200 -0.018 0.000 0.921 33 S CB -0.214 62.956 63.200 -0.050 0.000 0.772 33 S HN 0.549 nan 8.310 nan 0.000 0.529 34 L N 0.858 121.938 121.223 -0.239 0.000 2.554 34 L HA 0.433 4.773 4.340 -0.000 0.000 0.225 34 L C 1.356 178.158 176.870 -0.114 0.000 1.104 34 L CA 0.040 54.715 54.840 -0.275 0.000 0.866 34 L CB -0.375 41.374 42.059 -0.517 0.000 1.047 34 L HN 0.325 nan 8.230 nan 0.000 0.468 35 A N 1.477 124.270 122.820 -0.045 0.000 2.351 35 A HA 0.487 4.807 4.320 -0.000 0.000 0.257 35 A C 0.017 177.622 177.584 0.035 0.000 1.087 35 A CA -0.069 51.968 52.037 -0.000 0.000 0.798 35 A CB 0.323 19.362 19.000 0.064 0.000 1.033 35 A HN 0.387 nan 8.150 nan 0.000 0.488 36 E N -0.606 119.622 120.200 0.047 0.000 2.390 36 E HA 0.694 5.044 4.350 -0.000 0.000 0.280 36 E C -1.120 175.533 176.600 0.088 0.000 0.992 36 E CA -0.761 55.699 56.400 0.100 0.000 0.790 36 E CB 1.649 31.407 29.700 0.098 0.000 1.248 36 E HN 1.477 nan 8.360 nan 0.000 0.447 37 A N 1.958 124.884 122.820 0.177 0.000 2.577 37 A HA 0.620 4.939 4.320 -0.000 0.000 0.297 37 A C -2.848 174.918 177.584 0.304 0.000 1.060 37 A CA -1.183 50.953 52.037 0.166 0.000 0.697 37 A CB 1.329 20.351 19.000 0.037 0.000 1.281 37 A HN 0.547 nan 8.150 nan 0.000 0.402 38 P HA 0.376 nan 4.420 nan 0.000 0.271 38 P C -0.728 176.679 177.300 0.177 0.000 1.218 38 P CA -0.224 62.975 63.100 0.165 0.000 0.780 38 P CB 0.467 32.220 31.700 0.089 0.000 0.901 39 R N 1.383 121.915 120.500 0.055 0.000 2.486 39 R HA 0.342 4.682 4.340 -0.000 0.000 0.303 39 R C 1.605 177.843 176.300 -0.102 0.000 0.958 39 R CA 1.031 57.047 56.100 -0.139 0.000 1.077 39 R CB -1.347 28.877 30.300 -0.126 0.000 0.921 39 R HN 0.884 nan 8.270 nan 0.000 0.406 40 G N 0.975 109.672 108.800 -0.172 0.000 2.213 40 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.236 40 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.236 40 G C 0.612 175.521 174.900 0.015 0.000 0.991 40 G CA -0.373 44.685 45.100 -0.071 0.000 0.629 40 G HN 0.971 nan 8.290 nan 0.000 0.517 41 G N 0.015 108.879 108.800 0.107 0.000 2.614 41 G HA2 0.446 4.406 3.960 -0.000 0.000 0.239 41 G HA3 0.446 4.406 3.960 -0.000 0.000 0.239 41 G C 0.207 175.143 174.900 0.059 0.000 1.240 41 G CA -0.203 44.956 45.100 0.099 0.000 0.842 41 G HN 0.591 nan 8.290 nan 0.000 0.584 42 R N -0.017 120.494 120.500 0.018 0.000 2.221 42 R HA 0.370 4.710 4.340 -0.000 0.000 0.327 42 R C -0.716 175.650 176.300 0.111 0.000 1.033 42 R CA -0.532 55.596 56.100 0.045 0.000 0.887 42 R CB 1.601 31.876 30.300 -0.041 0.000 1.057 42 R HN 0.226 nan 8.270 nan 0.000 0.455 43 V N 5.173 125.088 119.914 0.002 0.000 2.398 43 V HA 0.362 4.481 4.120 -0.000 0.000 0.286 43 V C -0.156 175.992 176.094 0.091 0.000 1.026 43 V CA -0.721 61.520 62.300 -0.099 0.000 0.868 43 V CB 1.680 33.261 31.823 -0.404 0.000 0.982 43 V HN 0.571 nan 8.190 nan 0.000 0.443 44 L N 4.451 125.676 121.223 0.003 0.000 2.365 44 L HA 0.675 5.015 4.340 -0.000 0.000 0.273 44 L C -0.623 176.179 176.870 -0.114 0.000 1.000 44 L CA -0.341 54.447 54.840 -0.086 0.000 0.819 44 L CB 2.121 43.886 42.059 -0.490 0.000 1.284 44 L HN 0.830 nan 8.230 nan 0.000 0.418 45 E N 6.929 127.069 120.200 -0.099 0.000 2.235 45 E HA 0.458 4.808 4.350 -0.000 0.000 0.252 45 E C -2.606 173.851 176.600 -0.239 0.000 0.886 45 E CA -1.987 54.334 56.400 -0.131 0.000 0.767 45 E CB 1.921 31.608 29.700 -0.022 0.000 1.205 45 E HN 0.344 nan 8.360 nan 0.000 0.421 46 P HA 0.139 nan 4.420 nan 0.000 0.279 46 P C -0.320 176.776 177.300 -0.340 0.000 1.239 46 P CA 0.270 63.001 63.100 -0.615 0.000 0.789 46 P CB 1.466 32.298 31.700 -1.448 0.000 0.933 47 A N 1.975 124.674 122.820 -0.202 0.000 2.869 47 A HA -0.251 4.069 4.320 -0.000 0.000 0.280 47 A C 1.515 179.011 177.584 -0.146 0.000 1.458 47 A CA 0.939 52.905 52.037 -0.120 0.000 0.776 47 A CB -2.642 16.271 19.000 -0.144 0.000 1.028 47 A HN 0.794 nan 8.150 nan 0.000 0.547 48 C N -2.987 116.229 119.300 -0.140 0.000 2.425 48 C HA 0.338 4.798 4.460 -0.000 0.000 0.277 48 C C 2.470 177.391 174.990 -0.115 0.000 1.280 48 C CA 1.220 60.168 59.018 -0.117 0.000 1.744 48 C CB -1.337 26.336 27.740 -0.112 0.000 1.989 48 C HN 2.705 nan 8.230 nan 0.000 0.491 49 A N 1.948 124.722 122.820 -0.077 0.000 5.059 49 A HA -0.400 3.919 4.320 -0.000 0.000 0.321 49 A C 1.471 179.054 177.584 -0.002 0.000 1.900 49 A CA 2.721 54.746 52.037 -0.021 0.000 0.710 49 A CB -2.562 16.457 19.000 0.031 0.000 1.348 49 A HN 1.460 nan 8.150 nan 0.000 0.374 50 H N -0.117 118.916 119.070 -0.062 0.000 2.548 50 H HA 0.471 5.027 4.556 -0.000 0.000 0.265 50 H C 1.279 176.563 175.328 -0.074 0.000 0.969 50 H CA 1.050 57.055 56.048 -0.072 0.000 1.155 50 H CB -0.156 29.569 29.762 -0.063 0.000 1.394 50 H HN 2.424 nan 8.280 nan 0.000 0.570 51 G N 1.238 109.783 108.800 -0.425 0.000 2.414 51 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.256 51 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.256 51 G C -1.745 172.973 174.900 -0.304 0.000 1.128 51 G CA -0.057 44.875 45.100 -0.281 0.000 0.944 51 G HN 0.390 nan 8.290 nan 0.000 0.500 52 P HA -0.077 nan 4.420 nan 0.000 0.215 52 P C 1.696 178.804 177.300 -0.321 0.000 1.153 52 P CA 1.049 63.896 63.100 -0.422 0.000 0.853 52 P CB -0.050 31.324 31.700 -0.545 0.000 0.788 53 F N -1.883 118.036 119.950 -0.052 0.000 2.187 53 F HA -0.061 4.466 4.527 -0.000 0.000 0.295 53 F C 2.140 178.002 175.800 0.104 0.000 1.091 53 F CA 0.675 58.690 58.000 0.026 0.000 1.308 53 F CB -1.309 37.689 39.000 -0.004 0.000 1.030 53 F HN -0.212 nan 8.300 nan 0.000 0.487 54 L N 0.470 121.853 121.223 0.266 0.000 1.989 54 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 54 L C 2.407 179.453 176.870 0.293 0.000 1.071 54 L CA 1.722 56.755 54.840 0.322 0.000 0.749 54 L CB -1.050 41.188 42.059 0.298 0.000 0.890 54 L HN 0.035 nan 8.230 nan 0.000 0.431 55 R N -1.005 119.657 120.500 0.271 0.000 2.080 55 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 55 R C 2.231 178.583 176.300 0.087 0.000 1.137 55 R CA 1.489 57.720 56.100 0.218 0.000 0.943 55 R CB -0.807 29.602 30.300 0.180 0.000 0.846 55 R HN 0.396 nan 8.270 nan 0.000 0.431 56 A N 0.784 123.652 122.820 0.080 0.000 1.940 56 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 56 A C 2.030 179.696 177.584 0.136 0.000 1.176 56 A CA 1.283 53.361 52.037 0.068 0.000 0.631 56 A CB -0.665 18.347 19.000 0.020 0.000 0.814 56 A HN 0.397 nan 8.150 nan 0.000 0.446 57 F N 0.181 120.173 119.950 0.070 0.000 2.113 57 F HA -0.117 4.409 4.527 -0.001 0.000 0.297 57 F C 2.390 178.257 175.800 0.112 0.000 1.103 57 F CA 1.963 60.020 58.000 0.094 0.000 1.248 57 F CB -0.194 38.849 39.000 0.071 0.000 0.999 57 F HN 0.161 nan 8.300 nan 0.000 0.475 58 R N 0.479 121.067 120.500 0.146 0.000 2.081 58 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 58 R C 2.117 178.362 176.300 -0.091 0.000 1.131 58 R CA 2.018 58.093 56.100 -0.043 0.000 0.960 58 R CB -0.347 29.581 30.300 -0.619 0.000 0.856 58 R HN 0.398 nan 8.270 nan 0.000 0.436 59 E N -0.771 119.376 120.200 -0.088 0.000 2.204 59 E HA -0.146 4.203 4.350 -0.000 0.000 0.194 59 E C 1.545 178.105 176.600 -0.068 0.000 0.989 59 E CA 1.067 57.425 56.400 -0.071 0.000 0.824 59 E CB 0.107 29.782 29.700 -0.041 0.000 0.756 59 E HN 0.425 nan 8.360 nan 0.000 0.477 60 A N -0.204 122.574 122.820 -0.070 0.000 2.035 60 A HA 0.034 4.354 4.320 -0.000 0.000 0.208 60 A C 1.257 178.671 177.584 -0.283 0.000 1.206 60 A CA 0.523 52.484 52.037 -0.127 0.000 0.773 60 A CB -0.029 18.938 19.000 -0.055 0.000 0.878 60 A HN 0.128 nan 8.150 nan 0.000 0.469 61 H N -1.440 117.416 119.070 -0.356 0.000 2.855 61 H HA 0.448 5.004 4.556 -0.000 0.000 0.259 61 H C 0.995 176.311 175.328 -0.020 0.000 0.972 61 H CA 0.462 56.312 56.048 -0.330 0.000 1.213 61 H CB 0.882 30.105 29.762 -0.898 0.000 1.451 61 H HN 0.718 nan 8.280 nan 0.000 0.484 62 G N -0.504 108.378 108.800 0.136 0.000 2.423 62 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.684 62 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.684 62 G C 0.759 175.873 174.900 0.356 0.000 1.309 62 G CA -0.133 45.079 45.100 0.187 0.000 0.950 62 G HN 0.254 nan 8.290 nan 0.000 0.587 63 T N -2.345 112.323 114.554 0.190 0.000 3.044 63 T HA 0.371 4.721 4.350 -0.000 0.000 0.250 63 T C 1.815 176.631 174.700 0.192 0.000 1.081 63 T CA 1.463 63.705 62.100 0.236 0.000 1.040 63 T CB 0.468 69.363 68.868 0.046 0.000 0.962 63 T HN 1.912 nan 8.240 nan 0.000 0.506 64 G N 1.048 109.782 108.800 -0.109 0.000 3.180 64 G HA2 0.426 4.386 3.960 -0.000 0.000 0.252 64 G HA3 0.426 4.386 3.960 -0.000 0.000 0.252 64 G C -0.949 173.537 174.900 -0.691 0.000 0.871 64 G CA -0.257 44.635 45.100 -0.347 0.000 1.979 64 G HN 0.538 nan 8.290 nan 0.000 0.624 65 Y N -1.795 118.469 120.300 -0.060 0.000 2.655 65 Y HA 0.506 5.056 4.550 -0.000 0.000 0.336 65 Y C 0.087 175.752 175.900 -0.393 0.000 1.154 65 Y CA -1.482 56.432 58.100 -0.310 0.000 1.055 65 Y CB 1.604 39.674 38.460 -0.650 0.000 1.295 65 Y HN 0.040 nan 8.280 nan 0.000 0.465 66 R N 1.930 122.333 120.500 -0.162 0.000 2.215 66 R HA 0.476 4.816 4.340 -0.000 0.000 0.337 66 R C -1.982 174.263 176.300 -0.091 0.000 1.010 66 R CA -0.344 55.734 56.100 -0.037 0.000 0.871 66 R CB 0.023 30.343 30.300 0.034 0.000 1.134 66 R HN 0.555 nan 8.270 nan 0.000 0.477 67 F N 4.036 124.175 119.950 0.314 0.000 2.411 67 F HA 0.340 4.867 4.527 -0.000 0.000 0.350 67 F C 0.111 176.064 175.800 0.254 0.000 1.114 67 F CA -0.575 57.618 58.000 0.321 0.000 1.135 67 F CB 1.607 40.935 39.000 0.547 0.000 1.120 67 F HN 0.052 nan 8.300 nan 0.000 0.495 68 V N 1.883 122.016 119.914 0.364 0.000 2.735 68 V HA 0.900 5.020 4.120 -0.000 0.000 0.310 68 V C 0.007 176.182 176.094 0.135 0.000 1.061 68 V CA -0.902 61.556 62.300 0.264 0.000 0.913 68 V CB 1.913 33.966 31.823 0.383 0.000 1.005 68 V HN 0.906 nan 8.190 nan 0.000 0.428 69 G N 1.608 110.429 108.800 0.035 0.000 2.662 69 G HA2 0.654 4.614 3.960 -0.000 0.000 0.302 69 G HA3 0.654 4.614 3.960 -0.000 0.000 0.302 69 G C -1.683 173.123 174.900 -0.157 0.000 1.389 69 G CA -0.547 44.515 45.100 -0.063 0.000 0.998 69 G HN 0.558 nan 8.290 nan 0.000 0.502 70 V N 1.412 121.185 119.914 -0.236 0.000 2.444 70 V HA 0.644 4.763 4.120 -0.000 0.000 0.294 70 V C -0.514 175.452 176.094 -0.213 0.000 1.022 70 V CA -0.642 61.460 62.300 -0.330 0.000 0.850 70 V CB 1.421 32.910 31.823 -0.557 0.000 0.992 70 V HN 0.879 nan 8.190 nan 0.000 0.426 71 E N 3.262 123.366 120.200 -0.159 0.000 2.340 71 E HA 0.500 4.850 4.350 -0.000 0.000 0.273 71 E C -0.113 176.454 176.600 -0.055 0.000 0.891 71 E CA -0.560 55.788 56.400 -0.086 0.000 0.757 71 E CB 2.180 31.837 29.700 -0.071 0.000 1.231 71 E HN 0.495 nan 8.360 nan 0.000 0.439 72 I N 1.324 121.889 120.570 -0.008 0.000 3.081 72 I HA 0.177 4.347 4.170 -0.000 0.000 0.274 72 I C -0.038 176.091 176.117 0.020 0.000 1.178 72 I CA 0.202 61.515 61.300 0.021 0.000 1.460 72 I CB 0.496 38.537 38.000 0.067 0.000 1.137 72 I HN 0.491 nan 8.210 nan 0.000 0.443 73 D N 1.402 121.810 120.400 0.013 0.000 2.316 73 D HA 0.140 4.780 4.640 -0.000 0.000 0.245 73 D C -1.806 174.494 176.300 0.000 0.000 1.171 73 D CA -2.424 51.583 54.000 0.012 0.000 0.856 73 D CB 1.586 42.392 40.800 0.011 0.000 1.090 73 D HN 0.048 nan 8.370 nan 0.000 0.476 74 P HA -0.073 nan 4.420 nan 0.000 0.225 74 P C 0.528 177.825 177.300 -0.006 0.000 1.148 74 P CA 1.068 64.167 63.100 -0.003 0.000 0.779 74 P CB 0.298 32.000 31.700 0.003 0.000 0.780 75 K N -1.315 119.083 120.400 -0.003 0.000 2.400 75 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 75 K C 1.762 178.357 176.600 -0.008 0.000 1.033 75 K CA 0.614 56.897 56.287 -0.006 0.000 1.021 75 K CB 0.056 32.554 32.500 -0.003 0.000 0.808 75 K HN 0.047 nan 8.250 nan 0.000 0.505 76 A N 0.652 123.468 122.820 -0.007 0.000 2.085 76 A HA 0.094 4.414 4.320 -0.000 0.000 0.208 76 A C 0.606 178.189 177.584 -0.002 0.000 1.191 76 A CA -0.195 51.840 52.037 -0.003 0.000 0.799 76 A CB 0.128 19.126 19.000 -0.004 0.000 0.877 76 A HN 0.182 nan 8.150 nan 0.000 0.473 77 L N 1.972 123.185 121.223 -0.017 0.000 2.678 77 L HA 0.248 4.588 4.340 -0.000 0.000 0.276 77 L C -0.907 175.946 176.870 -0.028 0.000 1.142 77 L CA 0.376 55.198 54.840 -0.031 0.000 0.961 77 L CB -0.533 41.502 42.059 -0.040 0.000 1.291 77 L HN 0.220 nan 8.230 nan 0.000 0.476 78 D N 4.975 125.364 120.400 -0.019 0.000 2.405 78 D HA 0.321 4.961 4.640 -0.000 0.000 0.264 78 D C -1.131 175.140 176.300 -0.048 0.000 1.240 78 D CA -0.191 53.795 54.000 -0.022 0.000 0.893 78 D CB 0.181 40.984 40.800 0.006 0.000 1.198 78 D HN 0.437 nan 8.370 nan 0.000 0.514 79 L N 2.329 123.481 121.223 -0.118 0.000 2.330 79 L HA 0.654 4.993 4.340 -0.000 0.000 0.271 79 L C -1.835 174.844 176.870 -0.318 0.000 1.013 79 L CA -1.970 52.731 54.840 -0.232 0.000 0.816 79 L CB 1.693 43.595 42.059 -0.261 0.000 1.287 79 L HN 0.164 nan 8.230 nan 0.000 0.435 80 P HA 0.136 nan 4.420 nan 0.000 0.272 80 P C -2.017 174.916 177.300 -0.611 0.000 1.230 80 P CA -1.070 61.668 63.100 -0.604 0.000 0.788 80 P CB 0.082 31.206 31.700 -0.960 0.000 0.949 81 P HA -0.161 nan 4.420 nan 0.000 0.221 81 P C 0.990 178.277 177.300 -0.022 0.000 1.145 81 P CA 1.631 64.661 63.100 -0.116 0.000 0.795 81 P CB -0.248 31.456 31.700 0.006 0.000 0.775 82 W N -0.079 121.254 121.300 0.054 0.000 2.905 82 W HA 0.474 5.134 4.660 -0.000 0.000 0.251 82 W C 0.097 176.706 176.519 0.151 0.000 1.305 82 W CA -0.157 57.246 57.345 0.097 0.000 1.465 82 W CB -0.689 28.816 29.460 0.076 0.000 1.122 82 W HN -0.127 nan 8.180 nan 0.000 0.659 83 A N 1.977 124.698 122.820 -0.166 0.000 2.305 83 A HA 0.314 4.634 4.320 -0.000 0.000 0.322 83 A C -0.393 177.191 177.584 0.000 0.000 1.187 83 A CA -0.576 51.438 52.037 -0.038 0.000 0.825 83 A CB 0.826 19.535 19.000 -0.486 0.000 1.164 83 A HN 0.249 nan 8.150 nan 0.000 0.498 84 E N 2.581 122.854 120.200 0.122 0.000 2.052 84 E HA 0.389 4.739 4.350 -0.000 0.000 0.283 84 E C 0.433 177.061 176.600 0.046 0.000 1.071 84 E CA -0.289 56.168 56.400 0.095 0.000 0.851 84 E CB 0.432 30.226 29.700 0.156 0.000 1.066 84 E HN 0.744 nan 8.360 nan 0.000 0.396 85 G N 4.654 113.451 108.800 -0.005 0.000 2.415 85 G HA2 0.462 4.422 3.960 -0.000 0.000 0.269 85 G HA3 0.462 4.422 3.960 -0.000 0.000 0.269 85 G C -0.384 174.497 174.900 -0.031 0.000 1.209 85 G CA -0.453 44.624 45.100 -0.038 0.000 0.835 85 G HN 0.598 nan 8.290 nan 0.000 0.534 86 I N 1.655 122.175 120.570 -0.084 0.000 2.512 86 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 86 I C -0.523 175.508 176.117 -0.143 0.000 1.069 86 I CA -0.556 60.677 61.300 -0.112 0.000 1.056 86 I CB 2.380 40.246 38.000 -0.224 0.000 1.229 86 I HN 0.169 nan 8.210 nan 0.000 0.429 87 L N 6.599 127.778 121.223 -0.074 0.000 2.268 87 L HA 0.738 5.078 4.340 -0.000 0.000 0.289 87 L C 0.003 176.850 176.870 -0.039 0.000 1.064 87 L CA 0.096 54.904 54.840 -0.053 0.000 0.824 87 L CB 0.746 42.797 42.059 -0.014 0.000 1.202 87 L HN 0.816 nan 8.230 nan 0.000 0.433 88 A N 2.847 125.626 122.820 -0.068 0.000 2.544 88 A HA 0.337 4.656 4.320 -0.000 0.000 0.291 88 A C -1.701 175.886 177.584 0.006 0.000 1.055 88 A CA -0.730 51.300 52.037 -0.011 0.000 0.651 88 A CB 1.278 20.285 19.000 0.011 0.000 1.296 88 A HN 0.475 nan 8.150 nan 0.000 0.431 89 D N 0.599 121.058 120.400 0.098 0.000 2.393 89 D HA 0.314 4.954 4.640 -0.000 0.000 0.232 89 D C 0.832 177.234 176.300 0.170 0.000 1.192 89 D CA -0.416 53.674 54.000 0.150 0.000 0.882 89 D CB 0.007 40.925 40.800 0.197 0.000 1.038 89 D HN 0.416 nan 8.370 nan 0.000 0.499 90 F N 4.202 124.109 119.950 -0.073 0.000 2.111 90 F HA -0.263 4.264 4.527 -0.000 0.000 0.300 90 F C 1.543 177.396 175.800 0.088 0.000 1.088 90 F CA 1.614 59.562 58.000 -0.087 0.000 1.243 90 F CB -0.170 38.679 39.000 -0.252 0.000 0.996 90 F HN 0.479 nan 8.300 nan 0.000 0.483 91 L N -0.557 120.576 121.223 -0.150 0.000 2.265 91 L HA -0.178 4.161 4.340 -0.000 0.000 0.215 91 L C 1.806 178.734 176.870 0.096 0.000 1.117 91 L CA 0.925 55.698 54.840 -0.112 0.000 0.782 91 L CB -0.460 41.490 42.059 -0.182 0.000 0.914 91 L HN 0.271 nan 8.230 nan 0.000 0.441 92 L N -1.640 119.667 121.223 0.141 0.000 2.858 92 L HA 0.093 4.433 4.340 -0.000 0.000 0.251 92 L C 0.490 177.444 176.870 0.139 0.000 1.149 92 L CA -0.524 54.387 54.840 0.117 0.000 0.955 92 L CB 0.142 42.295 42.059 0.156 0.000 1.289 92 L HN 0.288 nan 8.230 nan 0.000 0.542 93 W N 1.963 123.225 121.300 -0.063 0.000 2.238 93 W HA 0.362 5.022 4.660 -0.000 0.000 0.321 93 W C -0.823 175.667 176.519 -0.048 0.000 1.293 93 W CA -0.408 56.920 57.345 -0.028 0.000 1.204 93 W CB 0.738 30.213 29.460 0.026 0.000 1.167 93 W HN -0.049 nan 8.180 nan 0.000 0.553 94 E N 6.622 126.671 120.200 -0.252 0.000 2.256 94 E HA 0.345 4.695 4.350 -0.000 0.000 0.243 94 E C -1.899 174.385 176.600 -0.526 0.000 0.925 94 E CA -1.838 54.317 56.400 -0.407 0.000 0.748 94 E CB 0.760 30.345 29.700 -0.192 0.000 1.206 94 E HN 0.235 nan 8.360 nan 0.000 0.428 95 P HA 0.200 nan 4.420 nan 0.000 0.276 95 P C 0.485 177.599 177.300 -0.311 0.000 1.261 95 P CA -0.422 62.252 63.100 -0.709 0.000 0.800 95 P CB 1.330 32.481 31.700 -0.914 0.000 1.066 96 G N -0.194 108.497 108.800 -0.182 0.000 2.986 96 G HA2 0.094 4.054 3.960 -0.000 0.000 0.213 96 G HA3 0.094 4.054 3.960 -0.000 0.000 0.213 96 G C -0.063 174.760 174.900 -0.127 0.000 1.156 96 G CA -0.077 44.949 45.100 -0.124 0.000 0.763 96 G HN 0.604 nan 8.290 nan 0.000 0.547 97 E N -0.019 120.080 120.200 -0.168 0.000 2.266 97 E HA 0.734 5.083 4.350 -0.000 0.000 0.268 97 E C -0.236 176.184 176.600 -0.300 0.000 0.879 97 E CA -0.900 55.354 56.400 -0.243 0.000 0.762 97 E CB 1.637 31.144 29.700 -0.321 0.000 1.199 97 E HN 0.058 nan 8.360 nan 0.000 0.422 98 A N 2.099 124.789 122.820 -0.217 0.000 2.287 98 A HA 0.687 5.007 4.320 -0.000 0.000 0.273 98 A C -0.942 176.506 177.584 -0.228 0.000 1.091 98 A CA -0.414 51.594 52.037 -0.049 0.000 0.817 98 A CB 0.138 19.137 19.000 -0.001 0.000 1.069 98 A HN 0.489 nan 8.150 nan 0.000 0.492 99 F N -1.171 118.803 119.950 0.039 0.000 2.598 99 F HA 0.417 4.944 4.527 -0.000 0.000 0.327 99 F C 0.438 176.248 175.800 0.017 0.000 1.057 99 F CA -0.520 57.503 58.000 0.038 0.000 0.957 99 F CB 1.894 40.935 39.000 0.067 0.000 1.278 99 F HN 0.633 nan 8.300 nan 0.000 0.484 100 D N 0.203 120.709 120.400 0.177 0.000 2.262 100 D HA 0.160 4.800 4.640 -0.000 0.000 0.212 100 D C -0.594 175.734 176.300 0.048 0.000 0.964 100 D CA 0.866 54.915 54.000 0.083 0.000 0.875 100 D CB 0.547 41.376 40.800 0.048 0.000 0.996 100 D HN 0.151 nan 8.370 nan 0.000 0.497 101 L N 0.303 121.541 121.223 0.025 0.000 2.455 101 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 101 L C -2.012 174.808 176.870 -0.082 0.000 0.968 101 L CA -0.594 54.198 54.840 -0.081 0.000 0.827 101 L CB 2.063 43.968 42.059 -0.256 0.000 1.317 101 L HN -0.155 nan 8.230 nan 0.000 0.407 102 I N 5.766 126.273 120.570 -0.106 0.000 2.468 102 I HA 0.440 4.610 4.170 -0.000 0.000 0.285 102 I C -1.105 174.951 176.117 -0.102 0.000 1.039 102 I CA -0.429 60.806 61.300 -0.109 0.000 1.074 102 I CB 1.805 39.747 38.000 -0.097 0.000 1.228 102 I HN 0.457 nan 8.210 nan 0.000 0.436 103 L N 5.339 126.506 121.223 -0.092 0.000 2.342 103 L HA 0.989 5.329 4.340 -0.000 0.000 0.271 103 L C 0.236 176.910 176.870 -0.328 0.000 1.008 103 L CA -0.486 54.248 54.840 -0.178 0.000 0.818 103 L CB 2.180 44.123 42.059 -0.193 0.000 1.296 103 L HN 0.785 nan 8.230 nan 0.000 0.427 104 G N 0.910 109.249 108.800 -0.767 0.000 2.321 104 G HA2 0.055 4.015 3.960 -0.000 0.000 0.298 104 G HA3 0.055 4.015 3.960 -0.000 0.000 0.298 104 G C -2.172 172.133 174.900 -0.993 0.000 1.385 104 G CA -0.775 43.709 45.100 -1.027 0.000 0.856 104 G HN 0.622 nan 8.290 nan 0.000 0.584 105 N N 1.344 119.644 118.700 -0.668 0.000 2.623 105 N HA 0.484 5.224 4.740 -0.000 0.000 0.256 105 N C -2.478 172.652 175.510 -0.635 0.000 1.045 105 N CA -1.514 51.270 53.050 -0.445 0.000 0.863 105 N CB 2.146 40.587 38.487 -0.078 0.000 1.182 105 N HN 0.382 nan 8.380 nan 0.000 0.523 106 P HA 0.239 nan 4.420 nan 0.000 0.271 106 P C -2.797 174.009 177.300 -0.824 0.000 1.218 106 P CA -1.068 61.433 63.100 -0.998 0.000 0.780 106 P CB 0.434 31.585 31.700 -0.915 0.000 0.901 107 P HA 0.064 nan 4.420 nan 0.000 0.267 107 P C -0.827 176.307 177.300 -0.277 0.000 1.205 107 P CA 0.608 63.346 63.100 -0.604 0.000 0.765 107 P CB -0.109 31.315 31.700 -0.459 0.000 0.828 108 Y N 2.625 122.782 120.300 -0.238 0.000 2.341 108 Y HA 0.706 5.256 4.550 -0.000 0.000 0.340 108 Y C 1.239 177.095 175.900 -0.072 0.000 0.997 108 Y CA -0.779 57.254 58.100 -0.112 0.000 1.149 108 Y CB 0.859 39.219 38.460 -0.167 0.000 1.171 108 Y HN 0.615 nan 8.280 nan 0.000 0.494 109 G N 1.579 110.455 108.800 0.127 0.000 2.320 109 G HA2 0.381 4.341 3.960 -0.000 0.000 0.297 109 G HA3 0.381 4.341 3.960 -0.000 0.000 0.297 109 G C -2.417 172.494 174.900 0.018 0.000 1.344 109 G CA -0.819 44.315 45.100 0.056 0.000 0.851 109 G HN 0.458 nan 8.290 nan 0.000 0.567 110 I N -0.212 120.370 120.570 0.019 0.000 2.569 110 I HA 0.704 4.874 4.170 -0.000 0.000 0.296 110 I C 1.203 177.325 176.117 0.007 0.000 1.028 110 I CA -0.343 60.975 61.300 0.030 0.000 1.082 110 I CB 1.974 39.999 38.000 0.042 0.000 1.264 110 I HN 1.811 nan 8.210 nan 0.000 0.429 111 V N 6.621 126.577 119.914 0.070 0.000 2.888 111 V HA -0.173 3.947 4.120 -0.000 0.000 0.152 111 V C 0.461 176.197 176.094 -0.597 0.000 0.471 111 V CA 1.790 64.037 62.300 -0.088 0.000 1.184 111 V CB -1.790 30.018 31.823 -0.025 0.000 1.371 111 V HN 2.112 nan 8.190 nan 0.000 1.055 122 F N 2.355 122.296 119.950 -0.016 0.000 2.174 122 F HA -0.350 4.177 4.527 -0.000 0.000 0.296 122 F C 2.569 178.350 175.800 -0.033 0.000 1.182 122 F CA 2.747 60.745 58.000 -0.004 0.000 1.265 122 F CB -0.977 38.039 39.000 0.027 0.000 0.920 122 F HN 0.355 nan 8.300 nan 0.000 0.548 123 K N 0.337 120.866 120.400 0.216 0.000 2.074 123 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 123 K C 2.119 178.718 176.600 -0.003 0.000 1.048 123 K CA 1.567 57.905 56.287 0.085 0.000 0.926 123 K CB -0.416 32.129 32.500 0.074 0.000 0.713 123 K HN 0.286 nan 8.250 nan 0.000 0.444 124 A N 0.825 123.643 122.820 -0.003 0.000 1.858 124 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 124 A C 2.289 179.797 177.584 -0.128 0.000 1.190 124 A CA 1.914 53.920 52.037 -0.052 0.000 0.617 124 A CB -0.726 18.256 19.000 -0.031 0.000 0.827 124 A HN 0.187 nan 8.150 nan 0.000 0.443 125 V N 0.306 120.121 119.914 -0.164 0.000 2.358 125 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 125 V C 2.474 178.220 176.094 -0.580 0.000 1.047 125 V CA 2.277 64.356 62.300 -0.370 0.000 1.035 125 V CB -0.820 30.768 31.823 -0.392 0.000 0.658 125 V HN 0.666 nan 8.190 nan 0.000 0.452 126 K N 0.188 120.362 120.400 -0.376 0.000 2.074 126 K HA -0.272 4.048 4.320 -0.000 0.000 0.209 126 K C 1.851 178.253 176.600 -0.331 0.000 1.048 126 K CA 2.078 58.192 56.287 -0.289 0.000 0.926 126 K CB -0.262 32.209 32.500 -0.049 0.000 0.713 126 K HN 0.490 nan 8.250 nan 0.000 0.444 127 D N 0.607 120.859 120.400 -0.246 0.000 2.117 127 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 127 D C 1.970 178.121 176.300 -0.248 0.000 0.987 127 D CA 1.061 54.929 54.000 -0.220 0.000 0.829 127 D CB -0.167 40.546 40.800 -0.145 0.000 0.961 127 D HN 0.153 nan 8.370 nan 0.000 0.460 128 L N 0.268 121.340 121.223 -0.252 0.000 2.046 128 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 128 L C 2.420 179.187 176.870 -0.171 0.000 1.077 128 L CA 1.139 55.855 54.840 -0.206 0.000 0.747 128 L CB -0.735 41.211 42.059 -0.189 0.000 0.896 128 L HN 0.050 nan 8.230 nan 0.000 0.432 129 Y N 0.480 120.603 120.300 -0.296 0.000 2.114 129 Y HA -0.232 4.318 4.550 -0.001 0.000 0.284 129 Y C 2.476 178.043 175.900 -0.554 0.000 1.143 129 Y CA 0.863 58.773 58.100 -0.316 0.000 1.135 129 Y CB -0.977 37.266 38.460 -0.362 0.000 0.980 129 Y HN 0.165 nan 8.280 nan 0.000 0.499 130 K N -0.093 119.882 120.400 -0.707 0.000 2.218 130 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 130 K C 1.712 178.103 176.600 -0.347 0.000 1.046 130 K CA 1.315 57.141 56.287 -0.768 0.000 0.933 130 K CB -0.001 32.089 32.500 -0.683 0.000 0.728 130 K HN 0.160 nan 8.250 nan 0.000 0.454 131 K N -0.470 119.759 120.400 -0.285 0.000 2.323 131 K HA 0.107 4.427 4.320 -0.000 0.000 0.197 131 K C 1.770 178.222 176.600 -0.247 0.000 1.043 131 K CA 0.686 56.846 56.287 -0.213 0.000 0.997 131 K CB 0.302 32.695 32.500 -0.178 0.000 0.807 131 K HN 0.080 nan 8.250 nan 0.000 0.497 132 A N 0.466 123.063 122.820 -0.371 0.000 2.030 132 A HA 0.145 4.465 4.320 -0.000 0.000 0.215 132 A C 0.187 177.334 177.584 -0.728 0.000 1.164 132 A CA 0.340 52.024 52.037 -0.589 0.000 0.697 132 A CB -0.068 18.445 19.000 -0.811 0.000 0.827 132 A HN 0.091 nan 8.150 nan 0.000 0.457 133 F N 0.445 120.357 119.950 -0.064 0.000 2.388 133 F HA 0.312 4.839 4.527 -0.000 0.000 0.358 133 F C 1.574 177.344 175.800 -0.049 0.000 1.122 133 F CA -0.487 57.496 58.000 -0.027 0.000 1.056 133 F CB 1.511 40.597 39.000 0.143 0.000 1.155 133 F HN 0.131 nan 8.300 nan 0.000 0.461 134 S N -0.357 115.371 115.700 0.048 0.000 2.453 134 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 134 S C 1.642 176.209 174.600 -0.055 0.000 1.005 134 S CA 1.151 59.343 58.200 -0.014 0.000 0.949 134 S CB -0.766 62.423 63.200 -0.018 0.000 0.774 134 S HN 0.712 nan 8.310 nan 0.000 0.510 135 T N -3.215 111.269 114.554 -0.115 0.000 3.107 135 T HA 0.102 4.451 4.350 -0.000 0.000 0.249 135 T C 0.230 174.597 174.700 -0.555 0.000 1.096 135 T CA -0.621 61.352 62.100 -0.212 0.000 1.012 135 T CB -0.518 68.240 68.868 -0.183 0.000 0.977 135 T HN 0.518 nan 8.240 nan 0.000 0.527 136 W N 3.188 124.086 121.300 -0.670 0.000 2.529 136 W HA 0.452 5.112 4.660 -0.001 0.000 0.319 136 W C -0.221 175.912 176.519 -0.643 0.000 1.362 136 W CA -0.449 56.301 57.345 -0.991 0.000 1.348 136 W CB 0.206 29.460 29.460 -0.344 0.000 1.403 136 W HN 0.198 nan 8.180 nan 0.000 0.519 137 K N 4.641 124.625 120.400 -0.694 0.000 2.464 137 K HA 0.514 4.833 4.320 -0.000 0.000 0.253 137 K C 0.568 177.029 176.600 -0.232 0.000 0.933 137 K CA 0.211 56.330 56.287 -0.279 0.000 0.801 137 K CB 1.349 33.700 32.500 -0.248 0.000 1.271 137 K HN 0.665 nan 8.250 nan 0.000 0.430 138 G N 3.318 112.074 108.800 -0.073 0.000 2.574 138 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.282 138 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.282 138 G C 0.437 175.340 174.900 0.005 0.000 1.257 138 G CA 0.529 45.602 45.100 -0.046 0.000 0.956 138 G HN 0.759 nan 8.290 nan 0.000 0.560 139 K N 0.033 120.419 120.400 -0.023 0.000 2.366 139 K HA 0.014 4.334 4.320 -0.000 0.000 0.198 139 K C 1.391 177.919 176.600 -0.119 0.000 1.044 139 K CA 1.586 57.892 56.287 0.032 0.000 0.973 139 K CB -0.120 32.397 32.500 0.028 0.000 0.767 139 K HN 1.355 nan 8.250 nan 0.000 0.475 140 Y N 1.179 121.157 120.300 -0.537 0.000 2.903 140 Y HA -0.357 4.193 4.550 -0.000 0.000 0.466 140 Y C -0.226 175.299 175.900 -0.626 0.000 1.201 140 Y CA 1.079 58.649 58.100 -0.883 0.000 2.493 140 Y CB -1.199 36.336 38.460 -1.542 0.000 1.237 140 Y HN 0.571 nan 8.280 nan 0.000 0.633 141 N N -0.381 117.735 118.700 -0.972 0.000 2.928 141 N HA 0.140 4.880 4.740 -0.000 0.000 0.247 141 N C -0.091 174.960 175.510 -0.764 0.000 1.141 141 N CA 0.024 52.696 53.050 -0.630 0.000 0.977 141 N CB 0.752 38.985 38.487 -0.422 0.000 1.663 141 N HN 0.471 nan 8.380 nan 0.000 0.509 142 L N 3.191 124.218 121.223 -0.325 0.000 2.081 142 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 142 L C 2.273 179.093 176.870 -0.084 0.000 1.080 142 L CA 1.959 56.721 54.840 -0.129 0.000 0.754 142 L CB -1.258 40.825 42.059 0.040 0.000 0.893 142 L HN 0.761 nan 8.230 nan 0.000 0.433 143 Y N -1.918 118.282 120.300 -0.167 0.000 2.403 143 Y HA 0.051 4.601 4.550 -0.000 0.000 0.291 143 Y C 2.110 177.909 175.900 -0.168 0.000 1.143 143 Y CA 0.939 58.946 58.100 -0.155 0.000 1.257 143 Y CB -1.397 36.971 38.460 -0.153 0.000 0.984 143 Y HN 0.015 nan 8.280 nan 0.000 0.550 144 G N 0.549 108.866 108.800 -0.806 0.000 2.394 144 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.215 144 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.215 144 G C 1.818 176.525 174.900 -0.322 0.000 1.165 144 G CA 0.848 45.537 45.100 -0.686 0.000 0.784 144 G HN 0.632 nan 8.290 nan 0.000 0.535 145 A N 0.337 122.926 122.820 -0.384 0.000 1.930 145 A HA 0.153 4.472 4.320 -0.000 0.000 0.217 145 A C 2.132 179.420 177.584 -0.494 0.000 1.175 145 A CA 1.125 52.794 52.037 -0.612 0.000 0.627 145 A CB -0.519 18.022 19.000 -0.765 0.000 0.815 145 A HN 0.263 nan 8.150 nan 0.000 0.443 146 F N -0.101 119.712 119.950 -0.227 0.000 2.134 146 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 146 F C 2.138 178.091 175.800 0.255 0.000 1.097 146 F CA 1.375 59.457 58.000 0.136 0.000 1.264 146 F CB -0.395 38.689 39.000 0.141 0.000 1.001 146 F HN 0.116 nan 8.300 nan 0.000 0.479 147 L N -0.274 121.126 121.223 0.295 0.000 1.989 147 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 147 L C 2.557 179.415 176.870 -0.020 0.000 1.071 147 L CA 1.865 56.771 54.840 0.110 0.000 0.749 147 L CB -0.584 41.451 42.059 -0.039 0.000 0.890 147 L HN 0.174 nan 8.230 nan 0.000 0.431 148 E N 0.127 120.259 120.200 -0.113 0.000 2.077 148 E HA -0.313 4.037 4.350 -0.000 0.000 0.193 148 E C 2.148 178.737 176.600 -0.018 0.000 0.989 148 E CA 1.480 57.761 56.400 -0.198 0.000 0.800 148 E CB 0.117 29.584 29.700 -0.388 0.000 0.746 148 E HN 0.127 nan 8.360 nan 0.000 0.452 149 K N 0.799 121.180 120.400 -0.033 0.000 2.026 149 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 149 K C 1.816 178.434 176.600 0.030 0.000 1.048 149 K CA 1.640 57.908 56.287 -0.033 0.000 0.929 149 K CB -0.638 31.668 32.500 -0.323 0.000 0.713 149 K HN 0.191 nan 8.250 nan 0.000 0.439 150 A N 0.108 123.035 122.820 0.178 0.000 1.883 150 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 150 A C 2.361 179.987 177.584 0.070 0.000 1.186 150 A CA 2.048 54.208 52.037 0.205 0.000 0.624 150 A CB -0.939 18.095 19.000 0.057 0.000 0.822 150 A HN 0.136 nan 8.150 nan 0.000 0.444 151 V N 0.096 120.022 119.914 0.019 0.000 2.392 151 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 151 V C 2.580 178.754 176.094 0.134 0.000 1.059 151 V CA 2.239 64.555 62.300 0.028 0.000 1.051 151 V CB -0.841 30.966 31.823 -0.026 0.000 0.658 151 V HN 0.528 nan 8.190 nan 0.000 0.455 152 R N -0.514 120.082 120.500 0.161 0.000 2.189 152 R HA 0.058 4.397 4.340 -0.000 0.000 0.218 152 R C 1.916 178.275 176.300 0.099 0.000 1.074 152 R CA 0.852 57.035 56.100 0.139 0.000 0.991 152 R CB -0.163 30.212 30.300 0.125 0.000 0.883 152 R HN 0.429 nan 8.270 nan 0.000 0.457 153 L N 0.631 121.923 121.223 0.115 0.000 2.592 153 L HA 0.102 4.442 4.340 -0.000 0.000 0.227 153 L C 0.080 177.098 176.870 0.246 0.000 1.127 153 L CA -0.322 54.621 54.840 0.172 0.000 0.884 153 L CB 0.142 42.314 42.059 0.189 0.000 1.065 153 L HN 0.049 nan 8.230 nan 0.000 0.457 154 L N 1.419 122.751 121.223 0.182 0.000 2.349 154 L HA 0.150 4.490 4.340 -0.000 0.000 0.275 154 L C 0.522 177.472 176.870 0.134 0.000 1.115 154 L CA 0.165 55.110 54.840 0.175 0.000 0.820 154 L CB 0.933 43.094 42.059 0.170 0.000 1.135 154 L HN 0.118 nan 8.230 nan 0.000 0.445 155 K N 4.104 124.570 120.400 0.110 0.000 2.090 155 K HA 0.547 4.867 4.320 -0.000 0.000 0.250 155 K C -2.528 174.104 176.600 0.053 0.000 1.004 155 K CA -1.805 54.520 56.287 0.063 0.000 0.919 155 K CB 0.231 32.752 32.500 0.035 0.000 1.045 155 K HN 0.256 nan 8.250 nan 0.000 0.471 156 P HA -0.054 nan 4.420 nan 0.000 0.261 156 P C 0.425 177.732 177.300 0.012 0.000 1.183 156 P CA 1.522 64.634 63.100 0.020 0.000 0.761 156 P CB 0.449 32.155 31.700 0.010 0.000 0.785 157 G N 2.172 110.970 108.800 -0.003 0.000 2.199 157 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.254 157 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.254 157 G C 0.693 175.591 174.900 -0.004 0.000 0.982 157 G CA -0.183 44.909 45.100 -0.013 0.000 0.632 157 G HN 0.883 nan 8.290 nan 0.000 0.529 158 G N -0.909 107.904 108.800 0.022 0.000 2.664 158 G HA2 0.539 4.499 3.960 -0.000 0.000 0.242 158 G HA3 0.539 4.499 3.960 -0.000 0.000 0.242 158 G C -0.181 174.736 174.900 0.029 0.000 1.225 158 G CA 0.564 45.689 45.100 0.042 0.000 0.849 158 G HN 1.122 nan 8.290 nan 0.000 0.581 159 V N 1.333 121.262 119.914 0.025 0.000 2.709 159 V HA 0.550 4.670 4.120 -0.000 0.000 0.308 159 V C -0.308 175.782 176.094 -0.007 0.000 1.062 159 V CA -0.657 61.649 62.300 0.010 0.000 0.901 159 V CB 1.445 33.258 31.823 -0.015 0.000 1.003 159 V HN 0.903 nan 8.190 nan 0.000 0.425 160 L N 4.211 125.434 121.223 -0.000 0.000 2.362 160 L HA 1.010 5.350 4.340 -0.000 0.000 0.271 160 L C -0.910 175.876 176.870 -0.140 0.000 1.002 160 L CA -0.615 54.134 54.840 -0.151 0.000 0.818 160 L CB 2.202 44.062 42.059 -0.332 0.000 1.298 160 L HN 0.311 nan 8.230 nan 0.000 0.420 161 V N 3.592 123.414 119.914 -0.154 0.000 2.524 161 V HA 0.624 4.743 4.120 -0.000 0.000 0.297 161 V C -0.991 175.176 176.094 0.122 0.000 1.035 161 V CA -0.119 62.152 62.300 -0.047 0.000 0.867 161 V CB 1.244 33.027 31.823 -0.068 0.000 1.004 161 V HN 0.646 nan 8.190 nan 0.000 0.426 162 F N 2.971 122.853 119.950 -0.113 0.000 2.588 162 F HA 0.736 5.263 4.527 -0.000 0.000 0.314 162 F C -0.105 175.656 175.800 -0.064 0.000 1.069 162 F CA -1.500 56.414 58.000 -0.143 0.000 0.931 162 F CB 2.467 41.398 39.000 -0.115 0.000 1.260 162 F HN 0.213 nan 8.300 nan 0.000 0.465 163 V N 3.452 123.418 119.914 0.088 0.000 2.398 163 V HA 0.781 4.901 4.120 -0.000 0.000 0.286 163 V C -0.380 175.769 176.094 0.092 0.000 1.026 163 V CA -0.816 61.562 62.300 0.129 0.000 0.868 163 V CB 1.154 33.124 31.823 0.245 0.000 0.982 163 V HN 0.605 nan 8.190 nan 0.000 0.443 164 V N 2.570 122.467 119.914 -0.029 0.000 3.188 164 V HA 0.757 4.877 4.120 -0.000 0.000 0.305 164 V C -3.075 172.687 176.094 -0.553 0.000 1.232 164 V CA -2.856 59.187 62.300 -0.429 0.000 1.043 164 V CB 2.220 33.732 31.823 -0.518 0.000 1.068 164 V HN 0.588 nan 8.190 nan 0.000 0.439 165 P HA 0.363 nan 4.420 nan 0.000 0.272 165 P C 0.380 177.481 177.300 -0.332 0.000 1.223 165 P CA 0.367 63.078 63.100 -0.648 0.000 0.784 165 P CB 0.963 32.203 31.700 -0.767 0.000 0.923 166 A N 1.418 124.099 122.820 -0.232 0.000 2.235 166 A HA -0.057 4.263 4.320 -0.000 0.000 0.208 166 A C 1.760 179.117 177.584 -0.377 0.000 1.172 166 A CA 1.328 53.161 52.037 -0.339 0.000 0.786 166 A CB -1.544 17.296 19.000 -0.268 0.000 0.804 166 A HN 0.623 nan 8.150 nan 0.000 0.479 167 T N -1.928 112.519 114.554 -0.177 0.000 2.803 167 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 167 T C 1.763 176.387 174.700 -0.127 0.000 1.052 167 T CA 1.269 63.329 62.100 -0.068 0.000 1.136 167 T CB -0.810 68.098 68.868 0.067 0.000 0.864 167 T HN 0.878 nan 8.240 nan 0.000 0.467 168 W N 1.893 122.940 121.300 -0.422 0.000 2.538 168 W HA 0.140 4.800 4.660 -0.001 0.000 0.254 168 W C 1.206 177.695 176.519 -0.050 0.000 1.249 168 W CA -0.178 56.908 57.345 -0.432 0.000 1.253 168 W CB -1.008 28.128 29.460 -0.541 0.000 1.130 168 W HN 0.266 nan 8.180 nan 0.000 0.618 169 L N 1.399 122.150 121.223 -0.787 0.000 2.109 169 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 169 L C 2.521 179.280 176.870 -0.185 0.000 1.086 169 L CA 1.848 56.248 54.840 -0.734 0.000 0.760 169 L CB -0.746 40.737 42.059 -0.960 0.000 0.910 169 L HN 0.018 nan 8.230 nan 0.000 0.437 170 V N -4.611 115.288 119.914 -0.025 0.000 3.484 170 V HA 0.217 4.337 4.120 -0.000 0.000 0.252 170 V C 1.054 177.236 176.094 0.145 0.000 1.282 170 V CA -0.368 61.995 62.300 0.105 0.000 1.104 170 V CB -0.028 31.882 31.823 0.144 0.000 0.868 170 V HN 0.033 nan 8.190 nan 0.000 0.457 171 L N 1.599 122.951 121.223 0.214 0.000 2.456 171 L HA 0.233 4.572 4.340 -0.000 0.000 0.272 171 L C 1.964 178.982 176.870 0.247 0.000 1.189 171 L CA 0.085 55.082 54.840 0.261 0.000 0.846 171 L CB 0.429 42.719 42.059 0.386 0.000 1.111 171 L HN 0.225 nan 8.230 nan 0.000 0.475 172 E N 1.471 121.753 120.200 0.137 0.000 2.085 172 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 172 E C 1.237 177.852 176.600 0.024 0.000 0.994 172 E CA 1.474 57.923 56.400 0.082 0.000 0.801 172 E CB 0.112 29.840 29.700 0.047 0.000 0.743 172 E HN 0.648 nan 8.360 nan 0.000 0.453 173 D N -0.681 119.667 120.400 -0.087 0.000 2.351 173 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 173 D C 0.886 176.955 176.300 -0.385 0.000 0.968 173 D CA 0.628 54.444 54.000 -0.308 0.000 0.899 173 D CB -0.221 40.260 40.800 -0.531 0.000 0.907 173 D HN 0.191 nan 8.370 nan 0.000 0.514 174 F N -0.309 119.732 119.950 0.151 0.000 2.653 174 F HA 0.384 4.911 4.527 -0.001 0.000 0.304 174 F C 1.980 177.903 175.800 0.205 0.000 1.092 174 F CA -0.491 57.642 58.000 0.221 0.000 1.279 174 F CB -0.178 38.986 39.000 0.273 0.000 1.044 174 F HN -0.141 nan 8.300 nan 0.000 0.564 175 A N 0.499 123.458 122.820 0.232 0.000 1.908 175 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 175 A C 2.182 179.851 177.584 0.142 0.000 1.181 175 A CA 1.598 53.739 52.037 0.174 0.000 0.627 175 A CB -0.789 18.270 19.000 0.099 0.000 0.818 175 A HN 0.411 nan 8.150 nan 0.000 0.445 176 L N -1.194 120.087 121.223 0.096 0.000 2.156 176 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 176 L C 2.510 179.460 176.870 0.133 0.000 1.095 176 L CA 0.814 55.696 54.840 0.070 0.000 0.770 176 L CB -0.490 41.561 42.059 -0.014 0.000 0.914 176 L HN 0.448 nan 8.230 nan 0.000 0.439 177 L N 0.073 121.416 121.223 0.199 0.000 2.046 177 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 177 L C 2.705 179.753 176.870 0.297 0.000 1.077 177 L CA 1.688 56.676 54.840 0.247 0.000 0.747 177 L CB -0.503 41.768 42.059 0.353 0.000 0.896 177 L HN 0.081 nan 8.230 nan 0.000 0.432 178 R N -0.441 120.261 120.500 0.337 0.000 2.081 178 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 178 R C 2.141 178.436 176.300 -0.009 0.000 1.131 178 R CA 1.764 58.061 56.100 0.328 0.000 0.960 178 R CB -0.346 30.187 30.300 0.389 0.000 0.856 178 R HN 0.547 nan 8.270 nan 0.000 0.436 179 E N -0.008 120.194 120.200 0.003 0.000 2.051 179 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 179 E C 1.768 178.367 176.600 -0.003 0.000 0.991 179 E CA 1.190 57.542 56.400 -0.080 0.000 0.799 179 E CB -0.247 29.449 29.700 -0.007 0.000 0.748 179 E HN 0.214 nan 8.360 nan 0.000 0.449 180 F N 1.650 121.578 119.950 -0.036 0.000 2.065 180 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 180 F C 2.024 177.829 175.800 0.008 0.000 1.112 180 F CA 1.262 59.255 58.000 -0.011 0.000 1.212 180 F CB -0.216 38.783 39.000 -0.002 0.000 0.975 180 F HN -0.044 nan 8.300 nan 0.000 0.476 181 L N 0.651 121.954 121.223 0.133 0.000 2.012 181 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 181 L C 2.788 179.796 176.870 0.230 0.000 1.073 181 L CA 2.004 56.928 54.840 0.139 0.000 0.748 181 L CB -2.000 40.250 42.059 0.318 0.000 0.891 181 L HN 0.297 nan 8.230 nan 0.000 0.431 182 A N -0.155 122.651 122.820 -0.023 0.000 1.908 182 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 182 A C 2.452 180.027 177.584 -0.015 0.000 1.181 182 A CA 2.035 53.992 52.037 -0.132 0.000 0.627 182 A CB -0.561 18.008 19.000 -0.719 0.000 0.818 182 A HN 0.538 nan 8.150 nan 0.000 0.445 183 R N -1.254 119.204 120.500 -0.070 0.000 2.246 183 R HA 0.058 4.398 4.340 -0.000 0.000 0.199 183 R C 1.048 177.314 176.300 -0.057 0.000 0.984 183 R CA 1.031 57.096 56.100 -0.058 0.000 1.015 183 R CB -0.054 30.203 30.300 -0.073 0.000 0.930 183 R HN 0.331 nan 8.270 nan 0.000 0.475 184 E N 0.514 120.672 120.200 -0.071 0.000 2.318 184 E HA 0.175 4.524 4.350 -0.000 0.000 0.193 184 E C 0.648 177.339 176.600 0.151 0.000 0.998 184 E CA 0.963 57.352 56.400 -0.019 0.000 0.859 184 E CB 1.140 30.696 29.700 -0.239 0.000 0.812 184 E HN 0.537 nan 8.360 nan 0.000 0.492 185 G N 0.327 109.214 108.800 0.145 0.000 2.428 185 G HA2 0.198 4.158 3.960 -0.000 0.000 0.305 185 G HA3 0.198 4.158 3.960 -0.000 0.000 0.305 185 G C -1.478 173.327 174.900 -0.159 0.000 1.260 185 G CA -0.844 44.125 45.100 -0.219 0.000 0.853 185 G HN -0.049 nan 8.290 nan 0.000 0.480 186 K N 0.291 120.486 120.400 -0.343 0.000 2.183 186 K HA 0.640 4.960 4.320 -0.000 0.000 0.274 186 K C -0.935 175.625 176.600 -0.066 0.000 1.009 186 K CA -0.225 56.000 56.287 -0.102 0.000 0.888 186 K CB 1.123 33.572 32.500 -0.086 0.000 1.078 186 K HN 0.400 nan 8.250 nan 0.000 0.459 187 T N 2.035 116.690 114.554 0.170 0.000 2.807 187 T HA 0.311 4.661 4.350 -0.000 0.000 0.279 187 T C -0.992 173.800 174.700 0.154 0.000 0.993 187 T CA -0.590 61.661 62.100 0.251 0.000 0.970 187 T CB 1.561 70.676 68.868 0.412 0.000 0.950 187 T HN 0.432 nan 8.240 nan 0.000 0.441 188 S N 1.927 117.733 115.700 0.176 0.000 2.502 188 S HA 0.634 5.103 4.470 -0.000 0.000 0.304 188 S C -0.599 174.052 174.600 0.085 0.000 1.097 188 S CA -0.671 57.613 58.200 0.140 0.000 1.045 188 S CB 1.341 64.644 63.200 0.171 0.000 1.019 188 S HN 0.496 nan 8.310 nan 0.000 0.481 189 V N 4.280 124.195 119.914 0.001 0.000 2.409 189 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 189 V C -1.549 174.532 176.094 -0.022 0.000 1.020 189 V CA -0.660 61.673 62.300 0.056 0.000 0.848 189 V CB 0.898 32.721 31.823 -0.000 0.000 0.990 189 V HN 0.840 nan 8.190 nan 0.000 0.430 190 Y N 4.015 124.457 120.300 0.237 0.000 2.342 190 Y HA 0.428 4.977 4.550 -0.000 0.000 0.338 190 Y C -0.218 175.814 175.900 0.219 0.000 0.965 190 Y CA -0.872 57.397 58.100 0.281 0.000 1.159 190 Y CB 1.007 39.634 38.460 0.278 0.000 1.157 190 Y HN 0.677 nan 8.280 nan 0.000 0.486 191 Y N 4.483 124.949 120.300 0.277 0.000 2.393 191 Y HA 0.261 4.810 4.550 -0.000 0.000 0.338 191 Y C 0.013 175.946 175.900 0.056 0.000 1.029 191 Y CA -0.048 58.158 58.100 0.178 0.000 1.239 191 Y CB 0.513 39.153 38.460 0.299 0.000 1.170 191 Y HN 0.727 nan 8.280 nan 0.000 0.515 192 L N 5.127 125.996 121.223 -0.589 0.000 2.349 192 L HA 0.383 4.723 4.340 -0.000 0.000 0.200 192 L C 1.352 177.801 176.870 -0.701 0.000 1.064 192 L CA 0.592 55.075 54.840 -0.595 0.000 0.821 192 L CB -0.468 41.217 42.059 -0.624 0.000 1.027 192 L HN 0.982 nan 8.230 nan 0.000 0.476 193 G N 0.744 108.989 108.800 -0.925 0.000 2.445 193 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.212 193 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.212 193 G C -0.493 174.271 174.900 -0.226 0.000 1.217 193 G CA -0.576 44.171 45.100 -0.588 0.000 1.002 193 G HN 0.236 nan 8.290 nan 0.000 0.574 194 E N 1.252 121.404 120.200 -0.080 0.000 1.892 194 E HA 0.322 4.672 4.350 -0.000 0.000 0.271 194 E C 1.537 178.122 176.600 -0.025 0.000 1.146 194 E CA 0.273 56.670 56.400 -0.005 0.000 1.096 194 E CB 0.713 30.435 29.700 0.036 0.000 1.155 194 E HN 0.876 nan 8.360 nan 0.000 0.458 195 V N -1.045 118.796 119.914 -0.121 0.000 3.471 195 V HA 0.166 4.286 4.120 -0.000 0.000 0.258 195 V C 0.606 176.589 176.094 -0.185 0.000 1.192 195 V CA 0.231 62.428 62.300 -0.171 0.000 1.116 195 V CB -0.454 31.197 31.823 -0.286 0.000 0.792 195 V HN 0.151 nan 8.190 nan 0.000 0.459 196 F N 1.033 120.993 119.950 0.016 0.000 2.380 196 F HA 0.455 4.982 4.527 -0.001 0.000 0.325 196 F C -0.689 175.120 175.800 0.015 0.000 1.136 196 F CA -1.990 56.022 58.000 0.020 0.000 1.171 196 F CB 0.018 39.035 39.000 0.028 0.000 1.230 196 F HN -0.135 nan 8.300 nan 0.000 0.554 197 P HA -0.216 nan 4.420 nan 0.000 0.215 197 P C -0.160 177.201 177.300 0.101 0.000 1.157 197 P CA 1.278 64.449 63.100 0.118 0.000 0.874 197 P CB 0.060 31.816 31.700 0.092 0.000 0.790 198 Q N 0.001 119.866 119.800 0.108 0.000 2.281 198 Q HA 0.008 4.348 4.340 -0.000 0.000 0.267 198 Q C 0.485 176.541 176.000 0.093 0.000 1.053 198 Q CA -0.086 55.760 55.803 0.071 0.000 0.905 198 Q CB 0.385 29.145 28.738 0.037 0.000 1.195 198 Q HN -0.223 nan 8.270 nan 0.000 0.398 199 K N 2.455 122.895 120.400 0.067 0.000 2.525 199 K HA -0.017 4.302 4.320 -0.000 0.000 0.192 199 K C 0.197 176.828 176.600 0.052 0.000 1.029 199 K CA 0.581 56.905 56.287 0.062 0.000 1.029 199 K CB 0.344 32.870 32.500 0.043 0.000 0.814 199 K HN 0.257 nan 8.250 nan 0.000 0.503 200 K N -0.242 120.185 120.400 0.044 0.000 2.498 200 K HA 0.202 4.522 4.320 -0.000 0.000 0.207 200 K C -1.096 175.521 176.600 0.027 0.000 1.033 200 K CA -0.079 56.225 56.287 0.028 0.000 1.138 200 K CB 0.647 33.153 32.500 0.011 0.000 0.860 200 K HN -0.239 nan 8.250 nan 0.000 0.490 201 V N 0.223 120.169 119.914 0.054 0.000 2.444 201 V HA 0.351 4.471 4.120 -0.000 0.000 0.294 201 V C -0.304 175.833 176.094 0.072 0.000 1.022 201 V CA -1.070 61.255 62.300 0.041 0.000 0.850 201 V CB 1.700 33.546 31.823 0.037 0.000 0.992 201 V HN 0.006 nan 8.190 nan 0.000 0.426 202 S N 3.492 119.210 115.700 0.030 0.000 2.438 202 S HA 0.765 5.235 4.470 -0.000 0.000 0.293 202 S C 0.184 174.755 174.600 -0.047 0.000 1.141 202 S CA -0.125 58.086 58.200 0.019 0.000 1.080 202 S CB 0.808 64.081 63.200 0.122 0.000 0.978 202 S HN 1.081 nan 8.310 nan 0.000 0.479 203 A N 3.973 126.741 122.820 -0.086 0.000 2.269 203 A HA 0.860 5.180 4.320 -0.000 0.000 0.319 203 A C -0.676 176.799 177.584 -0.181 0.000 1.110 203 A CA -0.611 51.376 52.037 -0.083 0.000 0.847 203 A CB 1.179 20.196 19.000 0.029 0.000 1.161 203 A HN 0.763 nan 8.150 nan 0.000 0.497 204 V N 1.024 120.889 119.914 -0.080 0.000 2.851 204 V HA 0.417 4.537 4.120 -0.000 0.000 0.307 204 V C -0.980 175.177 176.094 0.105 0.000 1.129 204 V CA -0.436 61.865 62.300 0.001 0.000 0.932 204 V CB 2.279 34.114 31.823 0.020 0.000 1.024 204 V HN 0.740 nan 8.190 nan 0.000 0.426 205 V N 6.544 126.568 119.914 0.184 0.000 2.394 205 V HA 0.504 4.624 4.120 -0.000 0.000 0.282 205 V C -0.033 176.259 176.094 0.329 0.000 1.031 205 V CA -0.400 62.034 62.300 0.223 0.000 0.881 205 V CB 1.569 33.518 31.823 0.211 0.000 0.982 205 V HN 0.686 nan 8.190 nan 0.000 0.451 206 I N 6.171 126.896 120.570 0.258 0.000 2.339 206 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 206 I C -0.121 176.114 176.117 0.197 0.000 0.994 206 I CA -0.635 60.823 61.300 0.262 0.000 1.191 206 I CB 0.754 38.866 38.000 0.187 0.000 1.343 206 I HN 0.644 nan 8.210 nan 0.000 0.458 207 R N 7.653 128.302 120.500 0.249 0.000 2.288 207 R HA 0.351 4.691 4.340 -0.000 0.000 0.326 207 R C -2.027 174.395 176.300 0.203 0.000 0.959 207 R CA -0.556 55.647 56.100 0.172 0.000 0.834 207 R CB 1.076 31.486 30.300 0.183 0.000 1.157 207 R HN 0.669 nan 8.270 nan 0.000 0.470 208 F N 3.326 123.274 119.950 -0.003 0.000 2.458 208 F HA 0.306 4.833 4.527 -0.000 0.000 0.336 208 F C -0.722 175.074 175.800 -0.007 0.000 1.114 208 F CA -0.555 57.448 58.000 0.006 0.000 0.987 208 F CB 1.796 40.778 39.000 -0.031 0.000 1.130 208 F HN 0.469 nan 8.300 nan 0.000 0.458 209 Q N 5.859 125.273 119.800 -0.643 0.000 2.341 209 Q HA 0.237 4.576 4.340 -0.000 0.000 0.268 209 Q C -0.585 174.941 176.000 -0.790 0.000 1.013 209 Q CA -0.761 54.760 55.803 -0.470 0.000 0.798 209 Q CB 1.457 30.052 28.738 -0.238 0.000 1.253 209 Q HN 0.731 nan 8.270 nan 0.000 0.457 210 K N 2.400 122.542 120.400 -0.430 0.000 2.989 210 K HA 0.088 4.407 4.320 -0.000 0.000 0.264 210 K C -0.900 175.605 176.600 -0.158 0.000 1.228 210 K CA 0.165 56.318 56.287 -0.223 0.000 1.186 210 K CB -0.274 32.284 32.500 0.097 0.000 1.409 210 K HN 0.368 nan 8.250 nan 0.000 0.271 211 S N 0.842 116.405 115.700 -0.229 0.000 2.461 211 S HA 0.269 4.739 4.470 -0.000 0.000 0.216 211 S C -0.223 174.300 174.600 -0.128 0.000 1.201 211 S CA -0.596 57.530 58.200 -0.123 0.000 1.171 211 S CB 0.704 63.849 63.200 -0.092 0.000 1.169 211 S HN 0.622 nan 8.310 nan 0.000 0.456 212 G N 3.200 111.947 108.800 -0.088 0.000 2.281 212 G HA2 0.221 4.181 3.960 -0.000 0.000 0.236 212 G HA3 0.221 4.181 3.960 -0.000 0.000 0.236 212 G C -0.084 174.801 174.900 -0.025 0.000 1.053 212 G CA 0.767 45.838 45.100 -0.048 0.000 0.874 212 G HN 0.795 nan 8.290 nan 0.000 0.450 213 K N 0.456 120.862 120.400 0.010 0.000 2.441 213 K HA 0.481 4.801 4.320 -0.000 0.000 0.288 213 K C 0.857 177.518 176.600 0.101 0.000 0.692 213 K CA -0.018 56.289 56.287 0.034 0.000 0.566 213 K CB -0.548 31.958 32.500 0.011 0.000 1.286 213 K HN 0.789 nan 8.250 nan 0.000 0.371 214 G N 0.574 109.442 108.800 0.113 0.000 3.310 214 G HA2 0.476 4.436 3.960 -0.000 0.000 0.176 214 G HA3 0.476 4.436 3.960 -0.000 0.000 0.176 214 G C -1.325 173.730 174.900 0.258 0.000 1.307 214 G CA -0.431 44.799 45.100 0.216 0.000 0.935 214 G HN 0.292 nan 8.290 nan 0.000 0.628 215 L N 0.171 121.496 121.223 0.169 0.000 2.422 215 L HA 0.697 5.037 4.340 -0.000 0.000 0.264 215 L C -1.295 175.570 176.870 -0.007 0.000 0.984 215 L CA -0.523 54.306 54.840 -0.019 0.000 0.819 215 L CB 2.111 43.899 42.059 -0.451 0.000 1.330 215 L HN 0.433 nan 8.230 nan 0.000 0.410 216 S N 5.235 120.921 115.700 -0.022 0.000 2.561 216 S HA 0.557 5.027 4.470 -0.000 0.000 0.303 216 S C -0.745 173.796 174.600 -0.099 0.000 1.110 216 S CA -0.497 57.655 58.200 -0.081 0.000 1.034 216 S CB 1.946 65.161 63.200 0.026 0.000 1.010 216 S HN 0.536 nan 8.310 nan 0.000 0.482 217 L N 3.607 124.719 121.223 -0.184 0.000 2.287 217 L HA 0.583 4.923 4.340 -0.000 0.000 0.287 217 L C -1.690 175.128 176.870 -0.087 0.000 1.022 217 L CA -0.480 54.278 54.840 -0.136 0.000 0.814 217 L CB 0.705 42.635 42.059 -0.216 0.000 1.217 217 L HN 0.732 nan 8.230 nan 0.000 0.420 218 W N 3.242 124.517 121.300 -0.043 0.000 2.706 218 W HA 0.451 5.111 4.660 -0.000 0.000 0.346 218 W C -0.130 176.575 176.519 0.310 0.000 1.071 218 W CA -0.413 57.003 57.345 0.119 0.000 1.206 218 W CB 1.153 30.574 29.460 -0.065 0.000 1.413 218 W HN 0.343 nan 8.180 nan 0.000 0.542 219 D N -0.169 120.603 120.400 0.620 0.000 2.449 219 D HA 0.681 5.320 4.640 -0.000 0.000 0.250 219 D C -0.632 175.929 176.300 0.435 0.000 1.050 219 D CA -0.270 54.009 54.000 0.465 0.000 1.024 219 D CB 1.860 42.874 40.800 0.357 0.000 1.218 219 D HN 0.326 nan 8.370 nan 0.000 0.566 220 T N -1.815 112.931 114.554 0.321 0.000 2.883 220 T HA 0.567 4.917 4.350 -0.000 0.000 0.296 220 T C -0.937 173.888 174.700 0.207 0.000 1.117 220 T CA -0.957 61.290 62.100 0.244 0.000 1.006 220 T CB 1.623 70.555 68.868 0.107 0.000 1.191 220 T HN 0.310 nan 8.240 nan 0.000 0.508 221 Q N 0.530 120.431 119.800 0.168 0.000 2.321 221 Q HA 0.487 4.827 4.340 -0.000 0.000 0.270 221 Q C -1.335 174.680 176.000 0.024 0.000 1.032 221 Q CA -0.606 55.257 55.803 0.100 0.000 0.784 221 Q CB 2.020 30.805 28.738 0.079 0.000 1.264 221 Q HN 0.784 nan 8.270 nan 0.000 0.448 222 E N 2.054 122.221 120.200 -0.055 0.000 2.227 222 E HA 0.435 4.785 4.350 -0.000 0.000 0.282 222 E C -1.323 175.136 176.600 -0.235 0.000 1.015 222 E CA -0.125 56.080 56.400 -0.324 0.000 0.823 222 E CB 1.089 30.578 29.700 -0.352 0.000 1.081 222 E HN 0.598 nan 8.360 nan 0.000 0.396 223 S N 2.838 118.370 115.700 -0.281 0.000 2.806 223 S HA 0.283 4.753 4.470 -0.000 0.000 0.306 223 S C 0.774 175.258 174.600 -0.192 0.000 1.167 223 S CA -0.466 57.630 58.200 -0.173 0.000 0.847 223 S CB 0.820 63.955 63.200 -0.108 0.000 1.216 223 S HN 0.561 nan 8.310 nan 0.000 0.532 224 E N 1.151 121.275 120.200 -0.125 0.000 2.209 224 E HA -0.140 4.209 4.350 -0.000 0.000 0.196 224 E C 1.562 178.096 176.600 -0.110 0.000 0.993 224 E CA 1.742 58.076 56.400 -0.109 0.000 0.819 224 E CB -0.694 28.964 29.700 -0.071 0.000 0.745 224 E HN 0.678 nan 8.360 nan 0.000 0.477 225 S N -0.186 115.453 115.700 -0.103 0.000 2.593 225 S HA 0.383 4.852 4.470 -0.000 0.000 0.217 225 S C 1.079 175.617 174.600 -0.102 0.000 0.966 225 S CA 0.152 58.306 58.200 -0.077 0.000 0.914 225 S CB 0.403 63.578 63.200 -0.042 0.000 0.776 225 S HN 0.649 nan 8.310 nan 0.000 0.523 226 G N 0.930 109.598 108.800 -0.220 0.000 2.358 226 G HA2 0.039 3.999 3.960 -0.000 0.000 0.198 226 G HA3 0.039 3.999 3.960 -0.000 0.000 0.198 226 G C -1.010 173.567 174.900 -0.537 0.000 1.220 226 G CA -0.757 44.129 45.100 -0.356 0.000 1.187 226 G HN 0.303 nan 8.290 nan 0.000 0.544 227 F N 1.159 121.010 119.950 -0.165 0.000 2.422 227 F HA 0.698 5.225 4.527 -0.001 0.000 0.333 227 F C 0.733 176.430 175.800 -0.172 0.000 1.095 227 F CA -0.413 57.413 58.000 -0.290 0.000 1.038 227 F CB 2.517 41.084 39.000 -0.720 0.000 1.156 227 F HN 0.352 nan 8.300 nan 0.000 0.483 228 T N 3.798 118.401 114.554 0.081 0.000 2.812 228 T HA 0.421 4.771 4.350 -0.000 0.000 0.282 228 T C -2.704 172.121 174.700 0.209 0.000 0.990 228 T CA -1.550 60.636 62.100 0.145 0.000 0.960 228 T CB 1.784 70.719 68.868 0.112 0.000 0.948 228 T HN 0.156 nan 8.240 nan 0.000 0.438 229 P HA 0.538 nan 4.420 nan 0.000 0.277 229 P C -0.833 176.766 177.300 0.499 0.000 1.240 229 P CA -0.527 62.850 63.100 0.462 0.000 0.798 229 P CB 0.706 32.688 31.700 0.470 0.000 0.979 230 I N 1.992 122.923 120.570 0.601 0.000 2.529 230 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 230 I C -0.605 175.786 176.117 0.458 0.000 1.088 230 I CA -1.061 60.515 61.300 0.459 0.000 1.062 230 I CB 1.639 39.832 38.000 0.322 0.000 1.218 230 I HN 0.145 nan 8.210 nan 0.000 0.442 231 L N 6.801 128.140 121.223 0.193 0.000 2.513 231 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 231 L C 0.444 177.267 176.870 -0.078 0.000 1.187 231 L CA 0.958 55.565 54.840 -0.389 0.000 0.895 231 L CB 0.299 41.899 42.059 -0.766 0.000 1.147 231 L HN 0.741 nan 8.230 nan 0.000 0.483 232 W N 5.893 127.053 121.300 -0.235 0.000 2.726 232 W HA 0.475 5.135 4.660 -0.000 0.000 0.285 232 W C -0.264 176.154 176.519 -0.168 0.000 1.110 232 W CA 0.782 58.080 57.345 -0.078 0.000 1.579 232 W CB 0.391 29.926 29.460 0.125 0.000 1.118 232 W HN 0.647 nan 8.180 nan 0.000 0.556 233 A N 0.802 123.664 122.820 0.070 0.000 2.608 233 A HA 0.512 4.832 4.320 -0.000 0.000 0.292 233 A C -1.543 175.859 177.584 -0.303 0.000 1.066 233 A CA -0.618 51.329 52.037 -0.150 0.000 0.676 233 A CB 1.398 20.394 19.000 -0.007 0.000 1.277 233 A HN 0.151 nan 8.150 nan 0.000 0.413 234 E N -0.037 119.877 120.200 -0.476 0.000 2.238 234 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 234 E C -1.972 174.257 176.600 -0.619 0.000 0.887 234 E CA -0.372 55.784 56.400 -0.407 0.000 0.769 234 E CB 2.172 31.707 29.700 -0.275 0.000 1.187 234 E HN 0.534 nan 8.360 nan 0.000 0.416 235 Y N 1.813 122.061 120.300 -0.086 0.000 2.787 235 Y HA 0.197 4.747 4.550 -0.000 0.000 0.352 235 Y C -1.668 174.228 175.900 -0.006 0.000 1.027 235 Y CA -1.904 56.187 58.100 -0.016 0.000 1.219 235 Y CB 1.050 39.512 38.460 0.004 0.000 1.110 235 Y HN 0.439 nan 8.280 nan 0.000 0.614 236 P HA -0.157 nan 4.420 nan 0.000 0.225 236 P C 0.143 177.312 177.300 -0.217 0.000 1.148 236 P CA 1.654 64.627 63.100 -0.211 0.000 0.779 236 P CB 0.247 31.698 31.700 -0.415 0.000 0.780 237 H N -3.817 115.375 119.070 0.204 0.000 2.592 237 H HA 0.160 4.716 4.556 -0.000 0.000 0.279 237 H C 0.228 175.707 175.328 0.252 0.000 1.089 237 H CA -0.932 55.226 56.048 0.185 0.000 1.150 237 H CB -0.569 29.276 29.762 0.138 0.000 1.575 237 H HN 0.086 nan 8.280 nan 0.000 0.547 238 W N 2.728 124.136 121.300 0.181 0.000 2.314 238 W HA -0.045 4.615 4.660 -0.000 0.000 0.339 238 W C 0.242 176.833 176.519 0.120 0.000 1.293 238 W CA 0.452 57.882 57.345 0.141 0.000 1.288 238 W CB 0.536 30.072 29.460 0.126 0.000 1.186 238 W HN 0.257 nan 8.180 nan 0.000 0.566 239 E N 2.985 122.971 120.200 -0.356 0.000 2.759 239 E HA 0.244 4.594 4.350 -0.000 0.000 0.220 239 E C 0.995 177.176 176.600 -0.698 0.000 0.974 239 E CA 0.422 56.568 56.400 -0.424 0.000 1.148 239 E CB 0.591 30.204 29.700 -0.145 0.000 1.059 239 E HN 0.794 nan 8.360 nan 0.000 0.493 240 G N 1.686 109.651 108.800 -1.391 0.000 2.183 240 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.168 240 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.168 240 G C -0.060 174.777 174.900 -0.104 0.000 1.008 240 G CA -0.565 44.046 45.100 -0.816 0.000 0.677 240 G HN 0.128 nan 8.290 nan 0.000 0.498 241 E N 0.558 120.797 120.200 0.066 0.000 2.408 241 E HA 0.491 4.841 4.350 -0.000 0.000 0.259 241 E C 1.576 178.375 176.600 0.330 0.000 1.110 241 E CA -0.085 56.446 56.400 0.218 0.000 0.929 241 E CB 0.760 30.574 29.700 0.190 0.000 0.971 241 E HN 0.749 nan 8.360 nan 0.000 0.438 242 I N -0.914 119.767 120.570 0.184 0.000 2.815 242 I HA 0.094 4.264 4.170 -0.000 0.000 0.291 242 I C -0.327 175.800 176.117 0.017 0.000 1.209 242 I CA 0.043 61.421 61.300 0.130 0.000 1.431 242 I CB 0.195 38.279 38.000 0.139 0.000 1.351 242 I HN 0.303 nan 8.210 nan 0.000 0.585 243 I N 5.830 126.332 120.570 -0.112 0.000 2.353 243 I HA 0.467 4.637 4.170 -0.000 0.000 0.293 243 I C 0.063 176.054 176.117 -0.210 0.000 0.992 243 I CA -0.372 60.733 61.300 -0.326 0.000 1.268 243 I CB 1.108 38.782 38.000 -0.544 0.000 1.387 243 I HN 0.705 nan 8.210 nan 0.000 0.478 244 R N 4.521 124.851 120.500 -0.283 0.000 2.774 244 R HA 0.495 4.835 4.340 -0.000 0.000 0.272 244 R C -1.488 174.571 176.300 -0.401 0.000 1.000 244 R CA -0.743 55.217 56.100 -0.233 0.000 0.906 244 R CB 1.395 31.519 30.300 -0.293 0.000 1.227 244 R HN 0.249 nan 8.270 nan 0.000 0.468 245 F N 1.919 121.681 119.950 -0.313 0.000 2.406 245 F HA 0.226 4.753 4.527 -0.000 0.000 0.358 245 F C 0.428 176.190 175.800 -0.064 0.000 1.161 245 F CA -0.067 57.654 58.000 -0.464 0.000 1.185 245 F CB 0.516 38.982 39.000 -0.889 0.000 1.421 245 F HN 0.239 nan 8.300 nan 0.000 0.576 246 E N 1.388 121.795 120.200 0.346 0.000 2.319 246 E HA 0.465 4.815 4.350 -0.000 0.000 0.268 246 E C 0.146 177.016 176.600 0.450 0.000 1.050 246 E CA -0.395 56.200 56.400 0.325 0.000 0.878 246 E CB 1.442 31.293 29.700 0.252 0.000 1.066 246 E HN 0.524 nan 8.360 nan 0.000 0.406 247 T N -2.196 112.499 114.554 0.234 0.000 2.838 247 T HA 0.155 4.505 4.350 -0.000 0.000 0.292 247 T C 0.877 175.617 174.700 0.067 0.000 1.113 247 T CA -0.828 61.340 62.100 0.113 0.000 1.008 247 T CB 1.200 70.140 68.868 0.119 0.000 1.259 247 T HN 0.553 nan 8.240 nan 0.000 0.520 248 E N 0.705 120.913 120.200 0.014 0.000 2.110 248 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 248 E C 1.501 178.132 176.600 0.051 0.000 0.988 248 E CA 1.734 58.146 56.400 0.019 0.000 0.804 248 E CB -0.485 29.208 29.700 -0.012 0.000 0.745 248 E HN 0.886 nan 8.360 nan 0.000 0.458 249 E N 1.682 121.921 120.200 0.065 0.000 2.107 249 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 249 E C 2.180 178.870 176.600 0.149 0.000 0.982 249 E CA 1.689 58.144 56.400 0.091 0.000 0.809 249 E CB -0.603 29.150 29.700 0.088 0.000 0.756 249 E HN 0.401 nan 8.360 nan 0.000 0.459 250 T N -1.146 113.516 114.554 0.180 0.000 2.812 250 T HA -0.040 4.309 4.350 -0.000 0.000 0.264 250 T C 2.074 176.919 174.700 0.241 0.000 1.042 250 T CA 0.919 63.194 62.100 0.291 0.000 1.140 250 T CB -0.186 68.761 68.868 0.132 0.000 0.870 250 T HN -0.001 nan 8.240 nan 0.000 0.445 251 R N 1.233 121.823 120.500 0.150 0.000 2.083 251 R HA 0.037 4.377 4.340 -0.000 0.000 0.237 251 R C 2.538 178.896 176.300 0.097 0.000 1.137 251 R CA 1.609 57.779 56.100 0.117 0.000 0.951 251 R CB -0.418 29.933 30.300 0.085 0.000 0.851 251 R HN 0.331 nan 8.270 nan 0.000 0.434 252 K N 0.076 120.526 120.400 0.082 0.000 2.009 252 K HA -0.128 4.191 4.320 -0.000 0.000 0.210 252 K C 1.795 178.429 176.600 0.056 0.000 1.049 252 K CA 1.417 57.739 56.287 0.058 0.000 0.929 252 K CB -0.577 31.952 32.500 0.050 0.000 0.714 252 K HN 0.094 nan 8.250 nan 0.000 0.440 253 L N 1.321 122.585 121.223 0.068 0.000 2.079 253 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 253 L C 1.795 178.684 176.870 0.033 0.000 1.081 253 L CA 1.794 56.653 54.840 0.032 0.000 0.752 253 L CB -0.291 41.730 42.059 -0.063 0.000 0.896 253 L HN 0.308 nan 8.230 nan 0.000 0.433 254 E N -0.694 119.552 120.200 0.076 0.000 2.152 254 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 254 E C 2.076 178.719 176.600 0.072 0.000 0.983 254 E CA 1.462 57.920 56.400 0.096 0.000 0.818 254 E CB -0.213 29.577 29.700 0.150 0.000 0.758 254 E HN 0.706 nan 8.360 nan 0.000 0.467 255 I N -0.872 119.733 120.570 0.058 0.000 2.761 255 I HA -0.066 4.104 4.170 -0.000 0.000 0.261 255 I C 1.863 177.991 176.117 0.018 0.000 1.198 255 I CA 0.858 62.182 61.300 0.040 0.000 1.482 255 I CB -0.022 37.999 38.000 0.035 0.000 1.100 255 I HN -0.145 nan 8.210 nan 0.000 0.445 256 S N -0.309 115.397 115.700 0.010 0.000 2.660 256 S HA 0.642 5.112 4.470 -0.000 0.000 0.227 256 S C 0.734 175.310 174.600 -0.039 0.000 0.948 256 S CA -0.079 58.109 58.200 -0.021 0.000 0.948 256 S CB -0.701 62.481 63.200 -0.030 0.000 0.779 256 S HN 0.652 nan 8.310 nan 0.000 0.487 257 G N 1.365 110.161 108.800 -0.006 0.000 2.695 257 G HA2 0.624 4.584 3.960 -0.000 0.000 0.290 257 G HA3 0.624 4.584 3.960 -0.000 0.000 0.290 257 G C -0.925 173.994 174.900 0.032 0.000 1.410 257 G CA -1.276 43.821 45.100 -0.005 0.000 0.844 257 G HN 0.320 nan 8.290 nan 0.000 0.478 258 M N -0.197 119.431 119.600 0.047 0.000 2.363 258 M HA 0.499 4.979 4.480 -0.000 0.000 0.343 258 M C -2.854 173.505 176.300 0.099 0.000 1.165 258 M CA -2.031 53.307 55.300 0.064 0.000 1.046 258 M CB 1.837 34.469 32.600 0.055 0.000 1.648 258 M HN 0.019 nan 8.290 nan 0.000 0.452 259 P HA 0.061 nan 4.420 nan 0.000 0.267 259 P C 0.748 178.122 177.300 0.122 0.000 1.205 259 P CA -0.162 63.002 63.100 0.107 0.000 0.765 259 P CB 0.615 32.366 31.700 0.084 0.000 0.828 260 L N 3.625 124.943 121.223 0.158 0.000 2.189 260 L HA -0.154 4.186 4.340 -0.000 0.000 0.214 260 L C 1.940 178.929 176.870 0.198 0.000 1.097 260 L CA 2.121 57.098 54.840 0.229 0.000 0.764 260 L CB -0.821 41.344 42.059 0.178 0.000 0.900 260 L HN 0.513 nan 8.230 nan 0.000 0.436 261 G N -1.514 107.343 108.800 0.095 0.000 2.776 261 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.209 261 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.209 261 G C 0.916 175.827 174.900 0.019 0.000 1.145 261 G CA 0.610 45.738 45.100 0.047 0.000 0.791 261 G HN 0.387 nan 8.290 nan 0.000 0.530 262 D N -0.207 120.207 120.400 0.023 0.000 2.355 262 D HA 0.118 4.758 4.640 -0.000 0.000 0.206 262 D C 2.433 178.672 176.300 -0.101 0.000 1.010 262 D CA 0.152 54.143 54.000 -0.015 0.000 0.875 262 D CB 0.363 41.177 40.800 0.024 0.000 0.966 262 D HN 0.318 nan 8.370 nan 0.000 0.512 263 L N -1.259 119.885 121.223 -0.132 0.000 2.408 263 L HA 0.215 4.554 4.340 -0.000 0.000 0.215 263 L C 0.021 176.485 176.870 -0.678 0.000 1.081 263 L CA 0.370 54.961 54.840 -0.416 0.000 0.840 263 L CB 0.251 42.021 42.059 -0.481 0.000 1.002 263 L HN -0.164 nan 8.230 nan 0.000 0.468 264 F N -2.042 117.811 119.950 -0.162 0.000 2.593 264 F HA 0.466 4.993 4.527 -0.000 0.000 0.320 264 F C 0.203 175.848 175.800 -0.258 0.000 1.060 264 F CA -0.986 56.900 58.000 -0.191 0.000 0.940 264 F CB 1.080 40.026 39.000 -0.089 0.000 1.268 264 F HN -0.180 nan 8.300 nan 0.000 0.475 265 H N 2.364 121.499 119.070 0.107 0.000 2.527 265 H HA 0.457 5.013 4.556 -0.000 0.000 0.321 265 H C -0.546 174.731 175.328 -0.086 0.000 1.087 265 H CA -0.243 55.797 56.048 -0.014 0.000 1.337 265 H CB 1.593 31.321 29.762 -0.056 0.000 1.440 265 H HN 0.413 nan 8.280 nan 0.000 0.490 266 I N 5.023 125.587 120.570 -0.010 0.000 2.306 266 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 266 I C 0.416 176.414 176.117 -0.199 0.000 1.036 266 I CA -0.468 60.726 61.300 -0.176 0.000 1.221 266 I CB 0.272 38.125 38.000 -0.246 0.000 1.385 266 I HN 0.207 nan 8.210 nan 0.000 0.472 267 R N 4.930 125.232 120.500 -0.331 0.000 2.758 267 R HA 0.626 4.966 4.340 -0.000 0.000 0.265 267 R C -1.070 175.102 176.300 -0.213 0.000 1.016 267 R CA -0.913 55.007 56.100 -0.299 0.000 1.040 267 R CB 1.494 31.314 30.300 -0.801 0.000 1.152 267 R HN 0.266 nan 8.270 nan 0.000 0.503 268 F N -0.198 119.870 119.950 0.198 0.000 2.508 268 F HA 0.506 5.033 4.527 -0.000 0.000 0.325 268 F C 0.712 176.801 175.800 0.482 0.000 1.090 268 F CA -0.765 57.426 58.000 0.318 0.000 0.945 268 F CB 1.700 40.818 39.000 0.197 0.000 1.156 268 F HN 0.557 nan 8.300 nan 0.000 0.463 269 A N 1.738 125.014 122.820 0.759 0.000 2.406 269 A HA 0.623 4.943 4.320 -0.000 0.000 0.243 269 A C -0.035 177.846 177.584 0.496 0.000 1.082 269 A CA -0.082 52.373 52.037 0.698 0.000 0.786 269 A CB -0.122 19.362 19.000 0.808 0.000 1.029 269 A HN 0.945 nan 8.150 nan 0.000 0.495 270 A N 1.700 124.794 122.820 0.456 0.000 2.388 270 A HA 0.525 4.844 4.320 -0.000 0.000 0.257 270 A C 0.837 178.675 177.584 0.423 0.000 1.095 270 A CA -0.631 51.555 52.037 0.249 0.000 0.791 270 A CB 0.093 19.038 19.000 -0.092 0.000 1.029 270 A HN 0.918 nan 8.150 nan 0.000 0.489 271 R N 2.089 122.753 120.500 0.273 0.000 2.641 271 R HA 0.176 4.516 4.340 -0.000 0.000 0.269 271 R C 0.961 177.494 176.300 0.389 0.000 1.074 271 R CA 0.352 56.620 56.100 0.281 0.000 1.133 271 R CB 0.067 30.463 30.300 0.161 0.000 1.029 271 R HN 0.638 nan 8.270 nan 0.000 0.488 272 S N 1.502 117.388 115.700 0.309 0.000 2.389 272 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 272 S C -0.927 173.854 174.600 0.302 0.000 1.052 272 S CA 1.863 60.230 58.200 0.277 0.000 1.053 272 S CB -0.905 62.360 63.200 0.108 0.000 0.886 272 S HN 0.630 nan 8.310 nan 0.000 0.456 273 P HA -0.101 nan 4.420 nan 0.000 0.215 273 P C 1.214 178.600 177.300 0.143 0.000 1.157 273 P CA 1.330 64.517 63.100 0.144 0.000 0.874 273 P CB -0.105 31.655 31.700 0.099 0.000 0.790 274 E N -1.709 118.557 120.200 0.110 0.000 2.171 274 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 274 E C 1.784 178.366 176.600 -0.030 0.000 0.997 274 E CA 1.062 57.458 56.400 -0.006 0.000 0.810 274 E CB -0.565 29.059 29.700 -0.125 0.000 0.738 274 E HN 0.297 nan 8.360 nan 0.000 0.467 275 F N 1.199 121.186 119.950 0.061 0.000 2.113 275 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 275 F C 2.271 178.128 175.800 0.095 0.000 1.103 275 F CA 1.096 59.131 58.000 0.057 0.000 1.248 275 F CB -0.106 38.905 39.000 0.019 0.000 0.999 275 F HN -0.165 nan 8.300 nan 0.000 0.475 276 K N 0.333 120.896 120.400 0.271 0.000 2.147 276 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 276 K C 1.470 178.149 176.600 0.131 0.000 1.049 276 K CA 1.185 57.576 56.287 0.172 0.000 0.936 276 K CB -0.221 32.357 32.500 0.130 0.000 0.722 276 K HN 0.244 nan 8.250 nan 0.000 0.446 277 K N 0.404 120.877 120.400 0.122 0.000 2.458 277 K HA -0.006 4.314 4.320 -0.000 0.000 0.194 277 K C -0.090 176.565 176.600 0.093 0.000 1.024 277 K CA 0.059 56.396 56.287 0.083 0.000 1.108 277 K CB 0.051 32.588 32.500 0.062 0.000 0.846 277 K HN 0.162 nan 8.250 nan 0.000 0.518 278 H N 1.125 120.209 119.070 0.023 0.000 2.476 278 H HA 0.222 4.778 4.556 -0.000 0.000 0.328 278 H C -2.638 172.706 175.328 0.026 0.000 1.073 278 H CA -2.173 53.879 56.048 0.005 0.000 1.229 278 H CB 1.184 30.930 29.762 -0.026 0.000 1.432 278 H HN -0.168 nan 8.280 nan 0.000 0.477 279 P HA 0.105 nan 4.420 nan 0.000 0.272 279 P C 0.058 177.265 177.300 -0.154 0.000 1.254 279 P CA 1.495 64.466 63.100 -0.214 0.000 0.795 279 P CB 0.572 32.130 31.700 -0.237 0.000 1.022 280 A N -1.850 120.948 122.820 -0.036 0.000 3.930 280 A HA -0.190 4.130 4.320 -0.000 0.000 0.267 280 A C 0.537 178.192 177.584 0.119 0.000 0.971 280 A CA 1.373 53.436 52.037 0.042 0.000 1.197 280 A CB -2.581 16.456 19.000 0.061 0.000 1.073 280 A HN 0.332 nan 8.150 nan 0.000 0.871 281 V N 3.435 123.445 119.914 0.159 0.000 2.408 281 V HA 0.460 4.580 4.120 -0.000 0.000 0.267 281 V C 0.830 177.008 176.094 0.139 0.000 1.047 281 V CA -0.318 62.096 62.300 0.191 0.000 0.937 281 V CB 0.884 32.858 31.823 0.251 0.000 0.999 281 V HN 0.494 nan 8.190 nan 0.000 0.472 282 R N 3.884 124.473 120.500 0.150 0.000 2.691 282 R HA 0.543 4.883 4.340 -0.000 0.000 0.259 282 R C -0.075 176.332 176.300 0.178 0.000 1.048 282 R CA -0.825 55.346 56.100 0.118 0.000 1.086 282 R CB 1.105 31.445 30.300 0.066 0.000 1.166 282 R HN 0.449 nan 8.270 nan 0.000 0.526 283 K N 0.082 120.556 120.400 0.123 0.000 2.438 283 K HA 0.168 4.487 4.320 -0.000 0.000 0.205 283 K C -0.534 176.126 176.600 0.100 0.000 1.033 283 K CA -0.049 56.337 56.287 0.165 0.000 1.089 283 K CB 0.745 33.304 32.500 0.098 0.000 0.857 283 K HN 0.419 nan 8.250 nan 0.000 0.522 284 E N 0.624 120.777 120.200 -0.078 0.000 2.356 284 E HA 0.301 4.650 4.350 -0.000 0.000 0.275 284 E C -2.749 173.420 176.600 -0.717 0.000 0.904 284 E CA -2.557 53.654 56.400 -0.314 0.000 0.757 284 E CB 1.685 31.273 29.700 -0.187 0.000 1.232 284 E HN -0.239 nan 8.360 nan 0.000 0.442 285 P HA 0.466 nan 4.420 nan 0.000 0.282 285 P C -0.281 176.670 177.300 -0.581 0.000 1.286 285 P CA -0.116 62.161 63.100 -1.372 0.000 0.777 285 P CB 0.604 31.369 31.700 -1.559 0.000 1.184 286 G N -1.800 106.756 108.800 -0.406 0.000 2.316 286 G HA2 0.396 4.356 3.960 -0.000 0.000 0.296 286 G HA3 0.396 4.356 3.960 -0.000 0.000 0.296 286 G C -3.389 171.440 174.900 -0.119 0.000 1.399 286 G CA -0.818 44.158 45.100 -0.206 0.000 0.833 286 G HN 0.263 nan 8.290 nan 0.000 0.565 287 P HA 0.452 nan 4.420 nan 0.000 0.275 287 P C 0.978 178.266 177.300 -0.020 0.000 1.227 287 P CA 1.536 64.613 63.100 -0.037 0.000 0.781 287 P CB 1.257 32.938 31.700 -0.032 0.000 0.906 288 G N 1.341 110.139 108.800 -0.003 0.000 2.179 288 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.260 288 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.260 288 G C -0.118 174.787 174.900 0.008 0.000 0.977 288 G CA -0.299 44.801 45.100 -0.000 0.000 0.641 288 G HN 0.443 nan 8.290 nan 0.000 0.533 289 L N 0.310 121.554 121.223 0.035 0.000 2.325 289 L HA 0.759 5.099 4.340 -0.000 0.000 0.279 289 L C 0.234 177.201 176.870 0.161 0.000 1.054 289 L CA -1.053 53.847 54.840 0.100 0.000 0.804 289 L CB 1.865 44.004 42.059 0.133 0.000 1.200 289 L HN -0.037 nan 8.230 nan 0.000 0.436 290 V N 3.830 123.789 119.914 0.074 0.000 2.680 290 V HA 0.474 4.594 4.120 -0.000 0.000 0.309 290 V C -2.130 173.864 176.094 -0.167 0.000 1.052 290 V CA -1.767 60.465 62.300 -0.113 0.000 0.908 290 V CB 2.895 34.382 31.823 -0.561 0.000 1.001 290 V HN 0.599 nan 8.190 nan 0.000 0.431 291 P HA 0.159 nan 4.420 nan 0.000 0.275 291 P C -0.591 176.409 177.300 -0.501 0.000 1.227 291 P CA -0.014 62.645 63.100 -0.735 0.000 0.781 291 P CB 1.190 32.397 31.700 -0.822 0.000 0.906 292 V N 5.066 124.640 119.914 -0.568 0.000 2.439 292 V HA 0.043 4.163 4.120 -0.000 0.000 0.271 292 V C 0.988 176.743 176.094 -0.565 0.000 1.040 292 V CA -0.056 61.913 62.300 -0.551 0.000 1.002 292 V CB -0.176 31.246 31.823 -0.668 0.000 1.000 292 V HN 0.370 nan 8.190 nan 0.000 0.477 293 L N 5.638 126.469 121.223 -0.653 0.000 2.436 293 L HA 0.536 4.875 4.340 -0.000 0.000 0.265 293 L C 0.802 177.332 176.870 -0.567 0.000 1.168 293 L CA 0.018 54.382 54.840 -0.794 0.000 0.815 293 L CB 1.145 42.311 42.059 -1.488 0.000 1.109 293 L HN 0.813 nan 8.230 nan 0.000 0.462 294 T N -2.396 111.940 114.554 -0.364 0.000 2.742 294 T HA 0.362 4.711 4.350 -0.000 0.000 0.282 294 T C 1.009 175.722 174.700 0.022 0.000 1.025 294 T CA -0.148 61.896 62.100 -0.093 0.000 1.020 294 T CB 1.279 70.086 68.868 -0.102 0.000 1.317 294 T HN 0.596 nan 8.240 nan 0.000 0.538 295 G N -0.239 108.561 108.800 0.001 0.000 2.479 295 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 295 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 295 G C 1.404 176.224 174.900 -0.133 0.000 1.115 295 G CA 0.134 45.205 45.100 -0.050 0.000 0.757 295 G HN 0.714 nan 8.290 nan 0.000 0.560 296 R N -0.092 120.267 120.500 -0.235 0.000 2.276 296 R HA 0.036 4.375 4.340 -0.000 0.000 0.203 296 R C 1.603 177.727 176.300 -0.293 0.000 1.017 296 R CA 0.889 56.752 56.100 -0.395 0.000 1.010 296 R CB -0.163 29.593 30.300 -0.906 0.000 0.900 296 R HN 0.390 nan 8.270 nan 0.000 0.469 297 N N 0.334 118.928 118.700 -0.177 0.000 2.424 297 N HA -0.032 4.708 4.740 -0.000 0.000 0.178 297 N C -0.071 175.314 175.510 -0.207 0.000 1.060 297 N CA 0.050 52.986 53.050 -0.189 0.000 0.901 297 N CB 0.254 38.549 38.487 -0.321 0.000 0.979 297 N HN -0.025 nan 8.380 nan 0.000 0.451 298 L N 1.725 122.896 121.223 -0.086 0.000 2.315 298 L HA 0.258 4.598 4.340 -0.000 0.000 0.283 298 L C -0.534 176.145 176.870 -0.318 0.000 1.089 298 L CA 0.016 54.796 54.840 -0.100 0.000 0.833 298 L CB 0.181 42.230 42.059 -0.015 0.000 1.170 298 L HN -0.118 nan 8.230 nan 0.000 0.442 299 K N 6.131 126.220 120.400 -0.519 0.000 2.295 299 K HA 0.582 4.902 4.320 -0.000 0.000 0.239 299 K C -2.637 173.692 176.600 -0.452 0.000 0.991 299 K CA -2.085 53.778 56.287 -0.708 0.000 0.845 299 K CB 1.253 32.745 32.500 -1.681 0.000 1.197 299 K HN 0.343 nan 8.250 nan 0.000 0.441 300 P HA 0.043 nan 4.420 nan 0.000 0.267 300 P C 0.441 177.774 177.300 0.056 0.000 1.328 300 P CA 0.607 63.656 63.100 -0.086 0.000 0.990 300 P CB -0.198 31.484 31.700 -0.030 0.000 1.168 301 G N 2.278 111.120 108.800 0.070 0.000 2.195 301 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.224 301 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.224 301 G C -0.387 174.724 174.900 0.351 0.000 0.990 301 G CA -0.139 45.086 45.100 0.208 0.000 0.639 301 G HN 0.580 nan 8.290 nan 0.000 0.514 302 W N -0.859 120.447 121.300 0.008 0.000 3.074 302 W HA 0.734 5.394 4.660 -0.000 0.000 0.332 302 W C -1.194 175.292 176.519 -0.055 0.000 1.253 302 W CA -1.234 56.111 57.345 0.000 0.000 1.180 302 W CB 0.832 30.296 29.460 0.006 0.000 1.445 302 W HN 0.417 nan 8.180 nan 0.000 0.573 303 V N 1.572 121.525 119.914 0.064 0.000 2.540 303 V HA 0.152 4.272 4.120 -0.000 0.000 0.302 303 V C -0.807 175.112 176.094 -0.292 0.000 1.035 303 V CA -0.273 61.845 62.300 -0.304 0.000 0.873 303 V CB 1.579 33.020 31.823 -0.636 0.000 0.992 303 V HN 0.525 nan 8.190 nan 0.000 0.428 304 D N 2.656 122.882 120.400 -0.290 0.000 2.441 304 D HA 0.256 4.896 4.640 -0.000 0.000 0.221 304 D C 0.266 176.445 176.300 -0.203 0.000 1.156 304 D CA -0.075 53.885 54.000 -0.067 0.000 0.896 304 D CB 0.562 41.348 40.800 -0.023 0.000 1.028 304 D HN 0.489 nan 8.370 nan 0.000 0.509 305 Y N 1.878 122.124 120.300 -0.089 0.000 2.561 305 Y HA 0.058 4.608 4.550 -0.000 0.000 0.291 305 Y C 1.876 177.721 175.900 -0.092 0.000 1.141 305 Y CA 0.226 58.190 58.100 -0.226 0.000 1.303 305 Y CB 0.087 38.316 38.460 -0.385 0.000 1.015 305 Y HN 0.418 nan 8.280 nan 0.000 0.547 306 E N 0.802 121.061 120.200 0.097 0.000 2.011 306 E HA -0.039 4.310 4.350 -0.000 0.000 0.191 306 E C 0.410 176.996 176.600 -0.023 0.000 0.980 306 E CA 0.778 57.220 56.400 0.071 0.000 0.814 306 E CB -0.039 29.713 29.700 0.087 0.000 0.775 306 E HN 0.147 nan 8.360 nan 0.000 0.454 307 K N 1.800 122.150 120.400 -0.083 0.000 2.416 307 K HA 0.056 4.376 4.320 -0.000 0.000 0.283 307 K C -0.095 176.210 176.600 -0.491 0.000 1.037 307 K CA -0.162 55.971 56.287 -0.257 0.000 0.995 307 K CB 0.305 32.644 32.500 -0.270 0.000 0.938 307 K HN 0.061 nan 8.250 nan 0.000 0.475 308 N N 2.286 120.678 118.700 -0.514 0.000 2.438 308 N HA 0.077 4.817 4.740 -0.000 0.000 0.282 308 N C -0.478 174.666 175.510 -0.611 0.000 1.037 308 N CA -0.107 52.589 53.050 -0.589 0.000 0.942 308 N CB 0.725 38.814 38.487 -0.664 0.000 1.136 308 N HN 0.544 nan 8.380 nan 0.000 0.481 309 H N 0.060 118.988 119.070 -0.238 0.000 3.058 309 H HA 0.140 4.696 4.556 -0.000 0.000 0.266 309 H C 1.151 176.380 175.328 -0.166 0.000 1.135 309 H CA 0.044 55.994 56.048 -0.163 0.000 1.174 309 H CB 0.804 30.474 29.762 -0.154 0.000 1.581 309 H HN 0.631 nan 8.280 nan 0.000 0.553 310 S N -1.180 114.425 115.700 -0.158 0.000 2.497 310 S HA 0.207 4.676 4.470 -0.000 0.000 0.221 310 S C 1.861 176.384 174.600 -0.129 0.000 1.037 310 S CA 0.349 58.448 58.200 -0.167 0.000 0.920 310 S CB 0.463 63.490 63.200 -0.288 0.000 0.800 310 S HN 0.461 nan 8.310 nan 0.000 0.505 311 G N 1.192 109.907 108.800 -0.142 0.000 2.147 311 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 311 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 311 G C -0.270 174.655 174.900 0.041 0.000 1.005 311 G CA 0.456 45.560 45.100 0.006 0.000 0.713 311 G HN 0.551 nan 8.290 nan 0.000 0.515 312 L N -1.576 119.551 121.223 -0.160 0.000 2.401 312 L HA 0.837 5.177 4.340 -0.000 0.000 0.266 312 L C -0.470 176.233 176.870 -0.279 0.000 0.991 312 L CA -1.245 53.555 54.840 -0.068 0.000 0.818 312 L CB 1.589 43.566 42.059 -0.136 0.000 1.321 312 L HN 0.129 nan 8.230 nan 0.000 0.413 313 W N 3.731 124.994 121.300 -0.062 0.000 2.962 313 W HA 0.819 5.479 4.660 -0.001 0.000 0.341 313 W C -0.330 176.169 176.519 -0.034 0.000 1.155 313 W CA -0.555 56.750 57.345 -0.068 0.000 1.165 313 W CB 1.776 31.202 29.460 -0.056 0.000 1.435 313 W HN 0.371 nan 8.180 nan 0.000 0.546 314 M N 0.860 120.561 119.600 0.169 0.000 2.694 314 M HA 0.497 4.976 4.480 -0.000 0.000 0.276 314 M C -3.033 173.295 176.300 0.048 0.000 1.167 314 M CA -1.973 53.396 55.300 0.115 0.000 0.849 314 M CB 2.667 35.339 32.600 0.120 0.000 1.705 314 M HN 0.015 nan 8.290 nan 0.000 0.504 315 P HA 0.079 nan 4.420 nan 0.000 0.270 315 P C -0.317 176.962 177.300 -0.034 0.000 1.242 315 P CA 0.250 63.354 63.100 0.008 0.000 0.768 315 P CB 1.286 33.003 31.700 0.029 0.000 0.820 316 K N 4.792 125.129 120.400 -0.105 0.000 2.032 316 K HA -0.227 4.093 4.320 -0.000 0.000 0.218 316 K C 1.676 178.234 176.600 -0.070 0.000 1.054 316 K CA 2.085 58.273 56.287 -0.165 0.000 0.941 316 K CB -0.133 32.222 32.500 -0.240 0.000 0.720 316 K HN 0.454 nan 8.250 nan 0.000 0.449 317 E N 0.250 120.430 120.200 -0.032 0.000 2.455 317 E HA -0.229 4.121 4.350 -0.000 0.000 0.202 317 E C 1.634 178.246 176.600 0.019 0.000 1.045 317 E CA 1.116 57.518 56.400 0.003 0.000 0.872 317 E CB -0.127 29.579 29.700 0.010 0.000 0.792 317 E HN 0.229 nan 8.360 nan 0.000 0.542 318 R N 0.376 120.889 120.500 0.022 0.000 2.312 318 R HA 0.259 4.599 4.340 -0.000 0.000 0.205 318 R C 2.059 178.362 176.300 0.006 0.000 0.904 318 R CA 0.872 57.005 56.100 0.056 0.000 1.052 318 R CB -0.221 30.152 30.300 0.123 0.000 1.014 318 R HN 0.225 nan 8.270 nan 0.000 0.503 319 A N 0.681 123.493 122.820 -0.013 0.000 1.972 319 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 319 A C 1.890 179.514 177.584 0.068 0.000 1.169 319 A CA 1.709 53.741 52.037 -0.008 0.000 0.635 319 A CB -0.355 18.628 19.000 -0.028 0.000 0.810 319 A HN 0.228 nan 8.150 nan 0.000 0.446 320 K N 0.704 121.129 120.400 0.042 0.000 2.160 320 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 320 K C 1.537 178.102 176.600 -0.057 0.000 1.047 320 K CA 2.110 58.399 56.287 0.003 0.000 0.930 320 K CB -0.367 32.143 32.500 0.016 0.000 0.720 320 K HN 0.644 nan 8.250 nan 0.000 0.450 321 E N -0.481 119.687 120.200 -0.053 0.000 2.274 321 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 321 E C 1.435 177.949 176.600 -0.144 0.000 0.996 321 E CA 0.469 56.835 56.400 -0.057 0.000 0.840 321 E CB 0.100 29.839 29.700 0.065 0.000 0.772 321 E HN 0.181 nan 8.360 nan 0.000 0.491 322 L N 0.012 121.095 121.223 -0.233 0.000 2.145 322 L HA 0.121 4.461 4.340 -0.000 0.000 0.201 322 L C 0.702 177.366 176.870 -0.343 0.000 1.075 322 L CA 1.100 55.760 54.840 -0.300 0.000 0.773 322 L CB -0.294 41.534 42.059 -0.385 0.000 0.936 322 L HN -0.006 nan 8.230 nan 0.000 0.451 323 R N 0.012 120.204 120.500 -0.514 0.000 2.515 323 R HA 0.127 4.467 4.340 -0.000 0.000 0.278 323 R C 0.349 176.181 176.300 -0.780 0.000 1.107 323 R CA -0.287 55.274 56.100 -0.898 0.000 0.945 323 R CB 1.391 30.561 30.300 -1.883 0.000 1.219 323 R HN 0.130 nan 8.270 nan 0.000 0.434 324 D N 1.742 121.874 120.400 -0.448 0.000 2.133 324 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 324 D C 1.432 177.642 176.300 -0.149 0.000 0.997 324 D CA 1.556 55.433 54.000 -0.205 0.000 0.840 324 D CB -0.463 40.296 40.800 -0.068 0.000 0.947 324 D HN 0.603 nan 8.370 nan 0.000 0.452 325 F N -0.994 118.845 119.950 -0.186 0.000 2.494 325 F HA 0.005 4.531 4.527 -0.000 0.000 0.298 325 F C 1.383 177.221 175.800 0.063 0.000 1.106 325 F CA 0.022 57.941 58.000 -0.136 0.000 1.452 325 F CB -0.905 37.914 39.000 -0.302 0.000 1.085 325 F HN -0.162 nan 8.300 nan 0.000 0.569 326 Y N 1.395 121.591 120.300 -0.173 0.000 2.421 326 Y HA 0.068 4.618 4.550 -0.000 0.000 0.292 326 Y C 2.487 178.452 175.900 0.108 0.000 1.136 326 Y CA 0.101 58.209 58.100 0.013 0.000 1.255 326 Y CB -1.122 37.268 38.460 -0.117 0.000 0.991 326 Y HN 0.287 nan 8.280 nan 0.000 0.552 327 A N -1.126 121.827 122.820 0.221 0.000 2.178 327 A HA 0.086 4.406 4.320 -0.000 0.000 0.211 327 A C 0.908 178.604 177.584 0.187 0.000 1.157 327 A CA 0.548 52.686 52.037 0.167 0.000 0.780 327 A CB -0.432 18.630 19.000 0.104 0.000 0.828 327 A HN 0.171 nan 8.150 nan 0.000 0.476 328 T N 2.192 116.895 114.554 0.247 0.000 2.779 328 T HA 0.476 4.826 4.350 -0.000 0.000 0.280 328 T C -2.937 171.934 174.700 0.284 0.000 0.987 328 T CA -1.235 61.013 62.100 0.248 0.000 0.966 328 T CB 1.602 70.611 68.868 0.236 0.000 0.933 328 T HN -0.050 nan 8.240 nan 0.000 0.442 329 P HA 0.249 nan 4.420 nan 0.000 0.267 329 P C -0.659 176.489 177.300 -0.254 0.000 1.205 329 P CA 0.115 63.205 63.100 -0.017 0.000 0.765 329 P CB 0.243 32.041 31.700 0.164 0.000 0.828 330 H N 0.857 119.471 119.070 -0.760 0.000 2.933 330 H HA 0.648 5.203 4.556 -0.000 0.000 0.310 330 H C -1.488 172.994 175.328 -1.409 0.000 1.351 330 H CA -1.290 54.059 56.048 -1.165 0.000 1.137 330 H CB 0.064 29.593 29.762 -0.389 0.000 1.853 330 H HN 0.154 nan 8.280 nan 0.000 0.539 331 L N 1.374 122.135 121.223 -0.771 0.000 2.305 331 L HA 0.530 4.870 4.340 -0.000 0.000 0.281 331 L C -1.039 175.716 176.870 -0.192 0.000 1.085 331 L CA -0.371 54.304 54.840 -0.274 0.000 0.813 331 L CB 1.048 43.112 42.059 0.009 0.000 1.157 331 L HN 0.585 nan 8.230 nan 0.000 0.436 332 V N 5.868 125.623 119.914 -0.265 0.000 2.448 332 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 332 V C -0.485 175.413 176.094 -0.327 0.000 1.025 332 V CA -0.688 61.369 62.300 -0.404 0.000 0.859 332 V CB 1.796 33.177 31.823 -0.736 0.000 0.988 332 V HN 0.517 nan 8.190 nan 0.000 0.431 333 V N 3.693 123.433 119.914 -0.290 0.000 2.495 333 V HA 0.758 4.878 4.120 -0.000 0.000 0.298 333 V C 0.505 176.522 176.094 -0.128 0.000 1.031 333 V CA -0.693 61.511 62.300 -0.159 0.000 0.871 333 V CB 1.840 33.606 31.823 -0.094 0.000 0.988 333 V HN 0.986 nan 8.190 nan 0.000 0.432 334 A N 2.881 125.619 122.820 -0.136 0.000 2.388 334 A HA 0.470 4.790 4.320 -0.000 0.000 0.257 334 A C 0.752 178.297 177.584 -0.065 0.000 1.095 334 A CA -0.046 51.874 52.037 -0.195 0.000 0.791 334 A CB -0.011 18.876 19.000 -0.188 0.000 1.029 334 A HN 1.173 nan 8.150 nan 0.000 0.489 335 H N 0.093 119.027 119.070 -0.227 0.000 2.986 335 H HA 0.055 4.611 4.556 -0.000 0.000 0.267 335 H C 0.895 176.045 175.328 -0.296 0.000 1.072 335 H CA 0.836 56.749 56.048 -0.225 0.000 1.202 335 H CB 0.047 29.434 29.762 -0.626 0.000 1.535 335 H HN 0.659 nan 8.280 nan 0.000 0.522 336 T N -0.866 113.470 114.554 -0.362 0.000 3.044 336 T HA 0.143 4.492 4.350 -0.000 0.000 0.250 336 T C 1.265 175.905 174.700 -0.100 0.000 1.081 336 T CA -0.224 61.656 62.100 -0.368 0.000 1.040 336 T CB -0.049 68.613 68.868 -0.343 0.000 0.962 336 T HN 0.171 nan 8.240 nan 0.000 0.506 337 K N 1.792 122.165 120.400 -0.045 0.000 2.596 337 K HA 0.486 4.805 4.320 -0.000 0.000 0.211 337 K C 1.122 177.768 176.600 0.076 0.000 1.046 337 K CA -0.015 56.276 56.287 0.007 0.000 1.202 337 K CB -0.024 32.445 32.500 -0.052 0.000 0.925 337 K HN 0.562 nan 8.250 nan 0.000 0.486 338 G N 0.550 109.474 108.800 0.207 0.000 2.615 338 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.218 338 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.218 338 G C -0.294 174.668 174.900 0.104 0.000 1.339 338 G CA -0.777 44.412 45.100 0.148 0.000 0.884 338 G HN 0.105 nan 8.290 nan 0.000 0.559 339 T N 2.518 117.098 114.554 0.044 0.000 3.766 339 T HA 0.536 4.886 4.350 -0.000 0.000 0.327 339 T C 0.517 175.224 174.700 0.011 0.000 1.595 339 T CA 0.716 62.829 62.100 0.022 0.000 1.204 339 T CB -0.532 68.332 68.868 -0.007 0.000 1.245 339 T HN 0.858 nan 8.240 nan 0.000 0.875 340 R N -0.232 120.277 120.500 0.016 0.000 2.692 340 R HA 0.398 4.738 4.340 -0.000 0.000 0.269 340 R C -2.167 174.126 176.300 -0.012 0.000 1.030 340 R CA -0.731 55.367 56.100 -0.004 0.000 0.882 340 R CB 0.620 30.911 30.300 -0.015 0.000 1.250 340 R HN 0.043 nan 8.270 nan 0.000 0.465 341 V N 1.998 121.891 119.914 -0.035 0.000 2.334 341 V HA 0.351 4.471 4.120 -0.000 0.000 0.267 341 V C -0.158 175.896 176.094 -0.068 0.000 1.040 341 V CA -0.702 61.566 62.300 -0.054 0.000 0.866 341 V CB 1.148 32.921 31.823 -0.083 0.000 1.019 341 V HN 0.449 nan 8.190 nan 0.000 0.468 342 V N 4.757 124.629 119.914 -0.069 0.000 2.378 342 V HA 0.855 4.975 4.120 -0.000 0.000 0.288 342 V C 0.321 176.354 176.094 -0.101 0.000 1.016 342 V CA -0.217 62.031 62.300 -0.087 0.000 0.840 342 V CB 1.404 33.166 31.823 -0.101 0.000 0.994 342 V HN 0.974 nan 8.190 nan 0.000 0.431 343 A N 4.164 126.932 122.820 -0.087 0.000 2.469 343 A HA 1.069 5.389 4.320 -0.000 0.000 0.299 343 A C -0.481 177.079 177.584 -0.040 0.000 1.098 343 A CA -0.173 51.815 52.037 -0.081 0.000 0.737 343 A CB 2.146 21.109 19.000 -0.062 0.000 1.312 343 A HN 1.553 nan 8.150 nan 0.000 0.414 344 A N 0.433 123.236 122.820 -0.028 0.000 2.612 344 A HA 0.661 4.981 4.320 -0.000 0.000 0.293 344 A C -1.715 175.940 177.584 0.118 0.000 1.075 344 A CA -0.322 51.748 52.037 0.055 0.000 0.680 344 A CB 0.847 19.849 19.000 0.003 0.000 1.279 344 A HN 1.362 nan 8.150 nan 0.000 0.411 345 W N 2.190 123.496 121.300 0.009 0.000 2.349 345 W HA 0.397 5.057 4.660 -0.000 0.000 0.309 345 W C -1.235 175.322 176.519 0.062 0.000 1.083 345 W CA -0.051 57.308 57.345 0.024 0.000 1.224 345 W CB 1.557 31.052 29.460 0.059 0.000 1.256 345 W HN 0.788 nan 8.180 nan 0.000 0.461 346 D N 4.593 124.778 120.400 -0.358 0.000 2.517 346 D HA -0.046 4.594 4.640 -0.000 0.000 0.220 346 D C 1.546 177.791 176.300 -0.090 0.000 1.158 346 D CA 0.213 54.151 54.000 -0.104 0.000 0.992 346 D CB 0.396 41.104 40.800 -0.153 0.000 1.058 346 D HN 0.574 nan 8.370 nan 0.000 0.516 347 E N 1.937 122.261 120.200 0.208 0.000 2.204 347 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 347 E C 1.355 178.052 176.600 0.163 0.000 0.989 347 E CA 0.592 57.159 56.400 0.279 0.000 0.824 347 E CB 0.077 29.987 29.700 0.351 0.000 0.756 347 E HN 0.275 nan 8.360 nan 0.000 0.477 348 R N 0.452 121.012 120.500 0.100 0.000 2.200 348 R HA 0.197 4.537 4.340 -0.000 0.000 0.208 348 R C 0.437 176.857 176.300 0.199 0.000 1.033 348 R CA 0.673 56.787 56.100 0.023 0.000 1.000 348 R CB 0.135 30.179 30.300 -0.426 0.000 0.906 348 R HN 0.240 nan 8.270 nan 0.000 0.462 349 A N 0.259 123.218 122.820 0.232 0.000 2.429 349 A HA -0.212 4.107 4.320 -0.000 0.000 0.290 349 A C -0.827 176.991 177.584 0.390 0.000 1.439 349 A CA 0.306 52.505 52.037 0.271 0.000 0.731 349 A CB -1.959 17.169 19.000 0.215 0.000 1.138 349 A HN 0.278 nan 8.150 nan 0.000 0.384 350 Y N 0.761 121.162 120.300 0.169 0.000 2.458 350 Y HA 0.634 5.183 4.550 -0.000 0.000 0.322 350 Y C -1.665 174.175 175.900 -0.100 0.000 1.259 350 Y CA -1.908 56.199 58.100 0.011 0.000 1.302 350 Y CB 0.847 39.289 38.460 -0.030 0.000 1.314 350 Y HN 0.406 nan 8.280 nan 0.000 0.509 351 P HA 0.068 nan 4.420 nan 0.000 0.279 351 P C -1.355 175.642 177.300 -0.505 0.000 1.239 351 P CA -0.157 62.603 63.100 -0.567 0.000 0.789 351 P CB 0.790 32.268 31.700 -0.371 0.000 0.933 352 W N 2.167 123.192 121.300 -0.458 0.000 2.736 352 W HA 0.456 5.115 4.660 -0.000 0.000 0.335 352 W C 1.516 178.060 176.519 0.043 0.000 1.059 352 W CA -0.531 56.772 57.345 -0.069 0.000 1.226 352 W CB 1.913 31.526 29.460 0.256 0.000 1.416 352 W HN 0.315 nan 8.180 nan 0.000 0.505 353 R N 1.215 121.789 120.500 0.123 0.000 2.280 353 R HA 0.049 4.389 4.340 -0.000 0.000 0.195 353 R C -0.000 176.476 176.300 0.294 0.000 0.935 353 R CA 1.005 57.147 56.100 0.070 0.000 1.033 353 R CB 0.385 30.567 30.300 -0.197 0.000 0.964 353 R HN 0.818 nan 8.270 nan 0.000 0.489 354 E N -0.996 119.441 120.200 0.396 0.000 2.315 354 E HA 0.219 4.568 4.350 -0.000 0.000 0.256 354 E C -1.205 175.499 176.600 0.174 0.000 1.148 354 E CA -0.920 55.663 56.400 0.304 0.000 0.898 354 E CB 0.965 30.726 29.700 0.102 0.000 1.708 354 E HN -0.126 nan 8.360 nan 0.000 0.473 355 E N -1.442 118.610 120.200 -0.246 0.000 9.153 355 E HA -0.144 4.206 4.350 -0.000 0.000 0.506 355 E C -1.265 174.979 176.600 -0.594 0.000 1.430 355 E CA 0.625 56.646 56.400 -0.631 0.000 2.509 355 E CB -1.006 28.329 29.700 -0.607 0.000 1.030 355 E HN 0.403 nan 8.360 nan 0.000 0.286 356 F N 0.576 120.209 119.950 -0.528 0.000 2.394 356 F HA 0.337 4.864 4.527 -0.000 0.000 0.340 356 F C 0.900 176.175 175.800 -0.876 0.000 1.105 356 F CA 0.044 57.661 58.000 -0.638 0.000 1.124 356 F CB 0.794 39.526 39.000 -0.447 0.000 1.145 356 F HN 0.219 nan 8.300 nan 0.000 0.505 357 H N 3.341 122.283 119.070 -0.213 0.000 2.587 357 H HA 0.496 5.051 4.556 -0.000 0.000 0.325 357 H C -1.151 173.896 175.328 -0.467 0.000 1.012 357 H CA -0.742 55.095 56.048 -0.352 0.000 1.213 357 H CB 1.064 30.548 29.762 -0.464 0.000 1.431 357 H HN 0.285 nan 8.280 nan 0.000 0.492 358 L N 4.536 125.600 121.223 -0.265 0.000 2.282 358 L HA 0.348 4.688 4.340 -0.000 0.000 0.288 358 L C -0.684 176.136 176.870 -0.083 0.000 1.033 358 L CA -0.093 54.594 54.840 -0.254 0.000 0.807 358 L CB 0.936 42.688 42.059 -0.512 0.000 1.209 358 L HN 0.524 nan 8.230 nan 0.000 0.423 359 L N 6.185 127.444 121.223 0.061 0.000 2.325 359 L HA 0.528 4.868 4.340 -0.000 0.000 0.281 359 L C -2.087 174.999 176.870 0.360 0.000 1.004 359 L CA -1.883 53.066 54.840 0.181 0.000 0.823 359 L CB 1.907 43.984 42.059 0.031 0.000 1.236 359 L HN 0.398 nan 8.230 nan 0.000 0.415 360 P HA 0.001 nan 4.420 nan 0.000 0.265 360 P C -0.717 176.495 177.300 -0.147 0.000 1.187 360 P CA 0.051 63.105 63.100 -0.076 0.000 0.766 360 P CB 0.815 32.482 31.700 -0.054 0.000 0.820 361 K N 1.215 121.378 120.400 -0.394 0.000 2.120 361 K HA 0.092 4.411 4.320 -0.000 0.000 0.245 361 K C 0.502 176.916 176.600 -0.311 0.000 1.024 361 K CA -0.438 55.609 56.287 -0.400 0.000 0.906 361 K CB 0.199 32.364 32.500 -0.559 0.000 1.051 361 K HN 0.383 nan 8.250 nan 0.000 0.491 362 E N 0.393 120.468 120.200 -0.209 0.000 2.606 362 E HA -0.025 4.325 4.350 -0.000 0.000 0.248 362 E C 0.532 176.962 176.600 -0.284 0.000 1.005 362 E CA 1.472 57.781 56.400 -0.153 0.000 0.946 362 E CB -0.345 29.330 29.700 -0.041 0.000 0.928 362 E HN 0.691 nan 8.360 nan 0.000 0.494 363 G N 2.883 111.584 108.800 -0.164 0.000 2.159 363 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.256 363 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.256 363 G C 0.021 174.830 174.900 -0.150 0.000 0.977 363 G CA 0.101 45.158 45.100 -0.072 0.000 0.652 363 G HN 0.533 nan 8.290 nan 0.000 0.531 364 V N 2.112 121.821 119.914 -0.342 0.000 2.432 364 V HA 0.669 4.789 4.120 -0.000 0.000 0.275 364 V C 0.338 176.221 176.094 -0.352 0.000 1.043 364 V CA -0.586 61.482 62.300 -0.387 0.000 0.925 364 V CB 1.410 32.938 31.823 -0.491 0.000 0.985 364 V HN 0.320 nan 8.190 nan 0.000 0.466 365 R N 5.168 125.362 120.500 -0.510 0.000 2.599 365 R HA 0.817 5.157 4.340 -0.000 0.000 0.295 365 R C -1.022 175.067 176.300 -0.351 0.000 0.963 365 R CA -0.632 55.213 56.100 -0.426 0.000 0.883 365 R CB 1.765 31.776 30.300 -0.481 0.000 1.171 365 R HN 0.682 nan 8.270 nan 0.000 0.450 366 L N -1.504 119.643 121.223 -0.127 0.000 2.491 366 L HA 0.631 4.971 4.340 -0.000 0.000 0.254 366 L C -0.684 176.191 176.870 0.009 0.000 1.048 366 L CA -0.988 53.854 54.840 0.003 0.000 0.855 366 L CB 1.687 43.781 42.059 0.057 0.000 1.466 366 L HN 0.232 nan 8.230 nan 0.000 0.409 367 D N 0.290 120.724 120.400 0.056 0.000 2.472 367 D HA 0.480 5.120 4.640 -0.000 0.000 0.234 367 D C -1.994 174.255 176.300 -0.084 0.000 1.088 367 D CA -2.094 51.901 54.000 -0.008 0.000 0.882 367 D CB 1.657 42.495 40.800 0.064 0.000 1.037 367 D HN 0.310 nan 8.370 nan 0.000 0.520 368 P HA -0.247 nan 4.420 nan 0.000 0.217 368 P C 1.501 178.666 177.300 -0.226 0.000 1.162 368 P CA 1.882 64.700 63.100 -0.470 0.000 0.901 368 P CB 0.121 31.143 31.700 -1.130 0.000 0.793 369 S N -1.148 114.438 115.700 -0.190 0.000 2.370 369 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 369 S C 1.981 176.531 174.600 -0.084 0.000 1.033 369 S CA 2.383 60.528 58.200 -0.093 0.000 1.011 369 S CB -2.164 60.994 63.200 -0.069 0.000 0.852 369 S HN 0.334 nan 8.310 nan 0.000 0.457 370 T N 0.186 114.668 114.554 -0.120 0.000 2.942 370 T HA 0.201 4.551 4.350 -0.000 0.000 0.265 370 T C 1.853 176.353 174.700 -0.333 0.000 1.062 370 T CA 0.701 62.643 62.100 -0.264 0.000 1.139 370 T CB -0.668 68.019 68.868 -0.302 0.000 0.883 370 T HN 0.315 nan 8.240 nan 0.000 0.468 371 L N 0.916 122.082 121.223 -0.095 0.000 1.970 371 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 371 L C 2.778 179.713 176.870 0.109 0.000 1.071 371 L CA 1.560 56.467 54.840 0.111 0.000 0.751 371 L CB -0.573 41.609 42.059 0.204 0.000 0.889 371 L HN 0.163 nan 8.230 nan 0.000 0.432 372 V N 0.258 120.210 119.914 0.063 0.000 2.282 372 V HA -0.389 3.731 4.120 -0.000 0.000 0.249 372 V C 2.585 178.698 176.094 0.032 0.000 1.057 372 V CA 2.347 64.685 62.300 0.064 0.000 1.032 372 V CB -0.829 31.048 31.823 0.090 0.000 0.645 372 V HN 0.670 nan 8.190 nan 0.000 0.447 373 Q N -0.760 119.044 119.800 0.007 0.000 2.096 373 Q HA -0.290 4.049 4.340 -0.000 0.000 0.204 373 Q C 2.280 178.306 176.000 0.043 0.000 0.982 373 Q CA 2.454 58.261 55.803 0.007 0.000 0.850 373 Q CB -0.428 28.292 28.738 -0.031 0.000 0.901 373 Q HN 0.853 nan 8.270 nan 0.000 0.422 374 W N 1.168 122.364 121.300 -0.174 0.000 2.355 374 W HA -0.196 4.464 4.660 -0.000 0.000 0.309 374 W C 1.672 178.189 176.519 -0.005 0.000 1.206 374 W CA 0.913 58.199 57.345 -0.097 0.000 1.284 374 W CB -0.167 29.214 29.460 -0.132 0.000 1.145 374 W HN 0.195 nan 8.180 nan 0.000 0.502 375 L N 1.072 122.160 121.223 -0.226 0.000 2.141 375 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 375 L C 1.843 178.571 176.870 -0.236 0.000 1.094 375 L CA 1.141 55.792 54.840 -0.314 0.000 0.763 375 L CB -0.939 41.043 42.059 -0.129 0.000 0.908 375 L HN -0.022 nan 8.230 nan 0.000 0.437 376 N N -0.172 118.447 118.700 -0.134 0.000 2.398 376 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 376 N C 0.775 176.232 175.510 -0.088 0.000 1.122 376 N CA 0.243 53.240 53.050 -0.089 0.000 0.866 376 N CB 0.074 38.542 38.487 -0.031 0.000 0.970 376 N HN 0.298 nan 8.380 nan 0.000 0.462 377 S N 0.254 115.876 115.700 -0.130 0.000 2.589 377 S HA 0.116 4.586 4.470 -0.000 0.000 0.265 377 S C 1.207 175.752 174.600 -0.091 0.000 1.342 377 S CA -0.398 57.752 58.200 -0.085 0.000 1.005 377 S CB 1.307 64.476 63.200 -0.053 0.000 0.909 377 S HN 0.136 nan 8.310 nan 0.000 0.555 378 E N 1.216 121.396 120.200 -0.033 0.000 2.077 378 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 378 E C 2.331 178.915 176.600 -0.027 0.000 0.989 378 E CA 1.216 57.604 56.400 -0.021 0.000 0.800 378 E CB -0.488 29.216 29.700 0.008 0.000 0.746 378 E HN 0.825 nan 8.360 nan 0.000 0.452 379 A N 0.906 123.713 122.820 -0.022 0.000 1.972 379 A HA -0.189 4.130 4.320 -0.000 0.000 0.219 379 A C 2.081 179.611 177.584 -0.090 0.000 1.169 379 A CA 1.372 53.404 52.037 -0.008 0.000 0.635 379 A CB -0.316 18.730 19.000 0.078 0.000 0.810 379 A HN 0.177 nan 8.150 nan 0.000 0.446 380 M N -0.727 118.725 119.600 -0.248 0.000 2.193 380 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 380 M C 1.944 178.193 176.300 -0.085 0.000 1.071 380 M CA 1.479 56.609 55.300 -0.283 0.000 1.140 380 M CB -0.447 31.855 32.600 -0.497 0.000 1.369 380 M HN 0.357 nan 8.290 nan 0.000 0.423 381 Q N 0.223 119.977 119.800 -0.077 0.000 2.079 381 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 381 Q C 2.153 178.147 176.000 -0.010 0.000 0.974 381 Q CA 1.677 57.458 55.803 -0.037 0.000 0.840 381 Q CB -0.801 27.914 28.738 -0.038 0.000 0.898 381 Q HN 0.638 nan 8.270 nan 0.000 0.430 382 K N -0.009 120.392 120.400 0.003 0.000 2.097 382 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 382 K C 2.054 178.674 176.600 0.033 0.000 1.049 382 K CA 1.426 57.721 56.287 0.014 0.000 0.933 382 K CB -0.138 32.379 32.500 0.028 0.000 0.717 382 K HN 0.209 nan 8.250 nan 0.000 0.442 383 H N 0.042 119.091 119.070 -0.035 0.000 2.321 383 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 383 H C 1.745 177.052 175.328 -0.034 0.000 1.087 383 H CA 2.044 58.077 56.048 -0.024 0.000 1.319 383 H CB -0.108 29.645 29.762 -0.015 0.000 1.379 383 H HN -0.002 nan 8.280 nan 0.000 0.501 384 V N 0.579 120.479 119.914 -0.023 0.000 2.358 384 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 384 V C 2.607 178.667 176.094 -0.055 0.000 1.047 384 V CA 1.961 64.258 62.300 -0.005 0.000 1.035 384 V CB -0.511 31.363 31.823 0.085 0.000 0.658 384 V HN 0.329 nan 8.190 nan 0.000 0.452 385 R N 0.679 121.135 120.500 -0.073 0.000 2.096 385 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 385 R C 2.191 178.371 176.300 -0.199 0.000 1.127 385 R CA 2.372 58.403 56.100 -0.115 0.000 0.968 385 R CB -1.233 29.018 30.300 -0.081 0.000 0.861 385 R HN 0.503 nan 8.270 nan 0.000 0.440 386 T N 0.972 115.414 114.554 -0.186 0.000 2.708 386 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 386 T C 1.741 176.265 174.700 -0.292 0.000 1.037 386 T CA 1.674 63.658 62.100 -0.194 0.000 1.146 386 T CB -0.192 68.618 68.868 -0.096 0.000 0.865 386 T HN 0.142 nan 8.240 nan 0.000 0.435 387 L N -0.818 120.147 121.223 -0.430 0.000 2.044 387 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 387 L C 1.837 178.226 176.870 -0.801 0.000 1.075 387 L CA 1.415 55.850 54.840 -0.675 0.000 0.747 387 L CB -0.321 41.067 42.059 -1.119 0.000 0.903 387 L HN 0.335 nan 8.230 nan 0.000 0.435 388 Y N -1.817 118.221 120.300 -0.436 0.000 2.481 388 Y HA 0.253 4.803 4.550 -0.000 0.000 0.247 388 Y C 1.363 176.570 175.900 -1.155 0.000 1.151 388 Y CA -0.898 56.739 58.100 -0.773 0.000 1.238 388 Y CB -0.033 38.216 38.460 -0.352 0.000 1.179 388 Y HN -0.019 nan 8.280 nan 0.000 0.524 389 R N 0.951 121.052 120.500 -0.664 0.000 3.641 389 R HA -0.304 4.036 4.340 -0.000 0.000 0.527 389 R C -0.018 176.101 176.300 -0.302 0.000 0.241 389 R CA 2.156 57.946 56.100 -0.517 0.000 1.639 389 R CB -1.358 28.533 30.300 -0.682 0.000 0.890 389 R HN 0.463 nan 8.270 nan 0.000 0.608 390 D N -0.395 119.910 120.400 -0.159 0.000 2.696 390 D HA 0.154 4.794 4.640 -0.000 0.000 0.269 390 D C 0.777 177.198 176.300 0.201 0.000 1.319 390 D CA -0.269 53.750 54.000 0.031 0.000 0.826 390 D CB -0.070 40.781 40.800 0.084 0.000 1.086 390 D HN 0.159 nan 8.370 nan 0.000 0.481 391 F N 1.473 121.477 119.950 0.090 0.000 2.091 391 F HA -0.069 4.458 4.527 -0.001 0.000 0.299 391 F C 1.471 177.276 175.800 0.008 0.000 1.103 391 F CA 0.500 58.535 58.000 0.058 0.000 1.228 391 F CB -0.821 38.205 39.000 0.042 0.000 0.984 391 F HN 0.053 nan 8.300 nan 0.000 0.477 392 V N -3.468 116.562 119.914 0.195 0.000 3.001 392 V HA 0.445 4.564 4.120 -0.000 0.000 0.314 392 V C -1.959 174.133 176.094 -0.004 0.000 1.099 392 V CA -1.503 60.845 62.300 0.080 0.000 0.989 392 V CB 1.791 33.666 31.823 0.086 0.000 1.040 392 V HN -0.173 nan 8.190 nan 0.000 0.434 393 P HA 0.168 nan 4.420 nan 0.000 0.245 393 P C 0.014 177.104 177.300 -0.350 0.000 1.206 393 P CA 0.725 63.663 63.100 -0.270 0.000 0.781 393 P CB 0.055 31.503 31.700 -0.420 0.000 0.994 394 H N -1.138 117.963 119.070 0.051 0.000 2.851 394 H HA 0.391 4.947 4.556 -0.000 0.000 0.372 394 H C -0.677 174.686 175.328 0.059 0.000 1.158 394 H CA -1.262 54.824 56.048 0.062 0.000 1.159 394 H CB 1.733 31.547 29.762 0.087 0.000 1.757 394 H HN -0.160 nan 8.280 nan 0.000 0.546 395 L N 2.828 124.182 121.223 0.219 0.000 2.462 395 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 395 L C 0.430 177.441 176.870 0.235 0.000 1.166 395 L CA 0.314 55.237 54.840 0.139 0.000 0.880 395 L CB 0.243 42.388 42.059 0.143 0.000 1.142 395 L HN 0.825 nan 8.230 nan 0.000 0.473 396 T N 1.711 116.326 114.554 0.102 0.000 2.897 396 T HA 0.267 4.617 4.350 -0.000 0.000 0.278 396 T C 0.961 175.700 174.700 0.064 0.000 0.981 396 T CA -0.541 61.658 62.100 0.164 0.000 0.973 396 T CB 0.860 69.769 68.868 0.068 0.000 1.092 396 T HN 0.577 nan 8.240 nan 0.000 0.543 397 L N 0.484 121.769 121.223 0.103 0.000 2.017 397 L HA 0.059 4.398 4.340 -0.000 0.000 0.208 397 L C 2.797 179.601 176.870 -0.111 0.000 1.073 397 L CA 1.611 56.388 54.840 -0.105 0.000 0.745 397 L CB -0.819 41.295 42.059 0.092 0.000 0.894 397 L HN 0.596 nan 8.230 nan 0.000 0.432 398 R N -0.925 119.555 120.500 -0.033 0.000 2.120 398 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 398 R C 2.107 178.376 176.300 -0.051 0.000 1.123 398 R CA 1.838 57.925 56.100 -0.020 0.000 0.975 398 R CB -0.520 29.791 30.300 0.018 0.000 0.866 398 R HN 0.477 nan 8.270 nan 0.000 0.446 399 M N -0.184 119.326 119.600 -0.151 0.000 2.123 399 M HA -0.126 4.353 4.480 -0.000 0.000 0.263 399 M C 2.261 178.509 176.300 -0.087 0.000 1.069 399 M CA 1.085 56.257 55.300 -0.214 0.000 1.133 399 M CB -0.366 31.944 32.600 -0.484 0.000 1.356 399 M HN 0.028 nan 8.290 nan 0.000 0.415 400 L N 0.982 122.108 121.223 -0.161 0.000 2.017 400 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 400 L C 2.146 178.937 176.870 -0.133 0.000 1.073 400 L CA 1.955 56.671 54.840 -0.206 0.000 0.745 400 L CB -0.532 41.233 42.059 -0.489 0.000 0.894 400 L HN 0.265 nan 8.230 nan 0.000 0.432 401 E N -0.517 119.611 120.200 -0.120 0.000 2.171 401 E HA -0.242 4.107 4.350 -0.000 0.000 0.197 401 E C 1.878 178.495 176.600 0.028 0.000 0.997 401 E CA 1.287 57.660 56.400 -0.045 0.000 0.810 401 E CB -0.119 29.566 29.700 -0.026 0.000 0.738 401 E HN 0.562 nan 8.360 nan 0.000 0.467 402 R N 0.366 120.901 120.500 0.059 0.000 2.317 402 R HA 0.174 4.514 4.340 -0.000 0.000 0.208 402 R C 0.342 176.733 176.300 0.152 0.000 0.914 402 R CA -0.150 56.019 56.100 0.115 0.000 1.060 402 R CB 0.131 30.523 30.300 0.153 0.000 1.015 402 R HN 0.078 nan 8.270 nan 0.000 0.498 403 L N 4.487 125.786 121.223 0.127 0.000 2.513 403 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 403 L C -1.888 175.085 176.870 0.171 0.000 1.187 403 L CA -1.480 53.448 54.840 0.146 0.000 0.895 403 L CB 0.099 42.206 42.059 0.079 0.000 1.147 403 L HN -0.204 nan 8.230 nan 0.000 0.483 404 P HA 0.134 nan 4.420 nan 0.000 0.282 404 P C -0.739 176.825 177.300 0.439 0.000 1.262 404 P CA -0.232 63.003 63.100 0.224 0.000 0.773 404 P CB 1.510 33.292 31.700 0.137 0.000 0.879 405 V N 5.444 125.561 119.914 0.338 0.000 2.398 405 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 405 V C 0.966 177.050 176.094 -0.017 0.000 1.026 405 V CA -0.753 61.763 62.300 0.360 0.000 0.868 405 V CB 1.064 33.074 31.823 0.312 0.000 0.982 405 V HN 0.475 nan 8.190 nan 0.000 0.443 406 R N 3.247 123.478 120.500 -0.447 0.000 2.522 406 R HA 0.131 4.471 4.340 -0.000 0.000 0.284 406 R C 1.390 177.352 176.300 -0.563 0.000 1.032 406 R CA 0.346 56.031 56.100 -0.692 0.000 1.049 406 R CB 0.126 29.644 30.300 -1.302 0.000 0.956 406 R HN 0.526 nan 8.270 nan 0.000 0.422 407 R N 2.294 122.573 120.500 -0.369 0.000 2.316 407 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 407 R C 0.601 176.723 176.300 -0.297 0.000 1.137 407 R CA 1.414 57.367 56.100 -0.244 0.000 1.012 407 R CB 0.058 30.245 30.300 -0.188 0.000 0.859 407 R HN 0.668 nan 8.270 nan 0.000 0.474 408 E N -0.442 119.441 120.200 -0.528 0.000 2.465 408 E HA -0.073 4.276 4.350 -0.000 0.000 0.191 408 E C 0.317 176.757 176.600 -0.266 0.000 1.053 408 E CA 0.490 56.630 56.400 -0.433 0.000 0.869 408 E CB 0.194 29.648 29.700 -0.410 0.000 0.977 408 E HN 0.429 nan 8.360 nan 0.000 0.483 409 Y N 0.979 121.263 120.300 -0.026 0.000 2.535 409 Y HA 0.466 5.015 4.550 -0.000 0.000 0.264 409 Y C 1.276 177.244 175.900 0.113 0.000 1.087 409 Y CA -0.250 57.867 58.100 0.029 0.000 1.285 409 Y CB 0.874 39.336 38.460 0.004 0.000 1.200 409 Y HN 0.059 nan 8.280 nan 0.000 0.514 410 G N 0.182 109.130 108.800 0.247 0.000 2.755 410 G HA2 0.521 4.481 3.960 -0.000 0.000 0.297 410 G HA3 0.521 4.481 3.960 -0.000 0.000 0.297 410 G C -1.754 173.304 174.900 0.264 0.000 1.441 410 G CA -0.702 44.522 45.100 0.207 0.000 0.964 410 G HN 0.020 nan 8.290 nan 0.000 0.540 411 F N -0.586 119.343 119.950 -0.035 0.000 2.678 411 F HA 0.699 5.226 4.527 -0.000 0.000 0.308 411 F C -1.300 174.518 175.800 0.030 0.000 1.118 411 F CA -1.447 56.540 58.000 -0.021 0.000 0.959 411 F CB 1.532 40.511 39.000 -0.035 0.000 1.305 411 F HN 0.667 nan 8.300 nan 0.000 0.443 412 H N 1.381 120.428 119.070 -0.039 0.000 2.708 412 H HA 0.676 5.231 4.556 -0.000 0.000 0.320 412 H C -1.263 174.073 175.328 0.013 0.000 0.991 412 H CA -0.147 55.828 56.048 -0.120 0.000 1.243 412 H CB 1.307 31.002 29.762 -0.113 0.000 1.446 412 H HN 1.051 nan 8.280 nan 0.000 0.502 413 T N 0.000 114.581 114.554 0.044 0.000 3.816 413 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 413 T CA 0.000 62.097 62.100 -0.004 0.000 1.349 413 T CB 0.000 68.970 68.868 0.170 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658