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 2zl0_1_F DATA FIRST_RESID 20 DATA SEQUENCE DIYSRLLKDR IVLLSGEIND SVASSIVAQL LFLEAEDPEK DIGLYINSPG DATA SEQUENCE GVITSGLSIY DTMNFIRPDV STICIGQAAS MGAFLLSCGA KGKRFSLPHS DATA SEQUENCE RIMIHQPLGG AQGQASDIEI ISNEILRLKG LMNSILAQNS GQSLEQIAKD DATA SEQUENCE TDRDFYMSAK EAKEYGLIDK VLQ 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.277 176.300 -0.038 0.000 2.045 20 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 20 D CB 0.000 40.822 40.800 0.037 0.000 0.688 21 I N 2.904 123.406 120.570 -0.114 0.000 2.208 21 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 21 I C 1.117 177.106 176.117 -0.213 0.000 1.097 21 I CA 1.718 62.890 61.300 -0.212 0.000 1.363 21 I CB -0.246 37.538 38.000 -0.361 0.000 1.051 21 I HN 0.579 nan 8.210 nan 0.000 0.413 22 Y N -0.098 120.190 120.300 -0.019 0.000 2.373 22 Y HA -0.077 4.473 4.550 -0.000 0.000 0.293 22 Y C 2.712 178.603 175.900 -0.014 0.000 1.129 22 Y CA 1.276 59.366 58.100 -0.017 0.000 1.226 22 Y CB -0.859 37.593 38.460 -0.013 0.000 1.000 22 Y HN 0.115 nan 8.280 nan 0.000 0.549 23 S N -0.727 115.039 115.700 0.110 0.000 2.461 23 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 23 S C 2.047 176.668 174.600 0.035 0.000 1.005 23 S CA 0.432 58.661 58.200 0.050 0.000 0.942 23 S CB 0.025 63.235 63.200 0.016 0.000 0.776 23 S HN 0.249 nan 8.310 nan 0.000 0.514 24 R N 1.330 121.841 120.500 0.019 0.000 2.090 24 R HA 0.257 4.597 4.340 -0.000 0.000 0.219 24 R C 1.928 178.243 176.300 0.025 0.000 1.100 24 R CA 0.676 56.783 56.100 0.012 0.000 0.991 24 R CB -0.799 29.492 30.300 -0.014 0.000 0.893 24 R HN 0.392 nan 8.270 nan 0.000 0.443 25 L N 0.688 121.924 121.223 0.022 0.000 2.275 25 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 25 L C 2.196 179.111 176.870 0.075 0.000 1.119 25 L CA 0.418 55.277 54.840 0.030 0.000 0.790 25 L CB -0.330 41.738 42.059 0.014 0.000 0.919 25 L HN 0.105 nan 8.230 nan 0.000 0.443 26 L N 0.129 121.410 121.223 0.097 0.000 2.156 26 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 26 L C 2.433 179.395 176.870 0.154 0.000 1.095 26 L CA 1.595 56.516 54.840 0.134 0.000 0.770 26 L CB -0.390 41.740 42.059 0.119 0.000 0.914 26 L HN 0.007 nan 8.230 nan 0.000 0.439 27 K N -0.019 120.452 120.400 0.119 0.000 2.074 27 K HA -0.170 4.149 4.320 -0.000 0.000 0.209 27 K C 1.244 177.900 176.600 0.094 0.000 1.048 27 K CA 1.802 58.157 56.287 0.115 0.000 0.926 27 K CB -0.202 32.343 32.500 0.074 0.000 0.713 27 K HN 0.381 nan 8.250 nan 0.000 0.444 28 D N 0.066 120.513 120.400 0.077 0.000 2.324 28 D HA 0.029 4.669 4.640 -0.000 0.000 0.235 28 D C -0.301 176.050 176.300 0.085 0.000 1.095 28 D CA 0.215 54.255 54.000 0.067 0.000 0.871 28 D CB 0.232 41.064 40.800 0.052 0.000 0.906 28 D HN 0.176 nan 8.370 nan 0.000 0.522 29 R N -0.269 120.294 120.500 0.105 0.000 3.654 29 R HA -0.151 4.189 4.340 -0.000 0.000 0.302 29 R C -0.413 175.971 176.300 0.139 0.000 1.166 29 R CA 0.293 56.462 56.100 0.115 0.000 0.810 29 R CB -2.212 28.137 30.300 0.082 0.000 1.323 29 R HN 0.277 nan 8.270 nan 0.000 0.478 30 I N 1.040 121.697 120.570 0.145 0.000 2.315 30 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 30 I C 0.453 176.675 176.117 0.177 0.000 1.006 30 I CA -0.793 60.615 61.300 0.181 0.000 1.265 30 I CB 1.749 39.808 38.000 0.098 0.000 1.387 30 I HN -0.221 nan 8.210 nan 0.000 0.475 31 V N 7.623 127.667 119.914 0.215 0.000 2.409 31 V HA 0.402 4.522 4.120 -0.000 0.000 0.291 31 V C -0.025 176.185 176.094 0.194 0.000 1.020 31 V CA -0.569 61.833 62.300 0.170 0.000 0.848 31 V CB 1.843 33.750 31.823 0.139 0.000 0.990 31 V HN 0.482 nan 8.190 nan 0.000 0.430 32 L N 5.842 127.146 121.223 0.135 0.000 2.272 32 L HA 0.532 4.872 4.340 -0.000 0.000 0.289 32 L C -0.694 176.209 176.870 0.055 0.000 1.032 32 L CA -0.622 54.296 54.840 0.130 0.000 0.810 32 L CB 1.572 43.708 42.059 0.129 0.000 1.205 32 L HN 0.462 nan 8.230 nan 0.000 0.422 33 L N 4.740 126.013 121.223 0.083 0.000 2.295 33 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 33 L C -0.066 176.832 176.870 0.045 0.000 1.018 33 L CA 0.096 54.962 54.840 0.044 0.000 0.841 33 L CB 1.247 43.339 42.059 0.055 0.000 1.218 33 L HN 0.634 nan 8.230 nan 0.000 0.424 34 S N 3.222 118.932 115.700 0.017 0.000 2.568 34 S HA 1.016 5.486 4.470 -0.000 0.000 0.293 34 S C 0.015 174.623 174.600 0.014 0.000 1.089 34 S CA -0.027 58.190 58.200 0.028 0.000 0.945 34 S CB 1.647 64.870 63.200 0.037 0.000 1.077 34 S HN 1.907 nan 8.310 nan 0.000 0.485 35 G N 1.593 110.407 108.800 0.022 0.000 2.698 35 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.225 35 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.225 35 G C -0.795 174.115 174.900 0.016 0.000 1.345 35 G CA -0.477 44.634 45.100 0.017 0.000 0.871 35 G HN 1.000 nan 8.290 nan 0.000 0.540 36 E N -0.818 119.390 120.200 0.015 0.000 2.404 36 E HA 0.386 4.736 4.350 -0.000 0.000 0.261 36 E C 0.369 176.978 176.600 0.014 0.000 1.074 36 E CA 0.135 56.544 56.400 0.015 0.000 0.917 36 E CB 0.740 30.448 29.700 0.015 0.000 0.965 36 E HN 0.435 nan 8.360 nan 0.000 0.433 37 I N 3.301 123.882 120.570 0.018 0.000 2.321 37 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 37 I C -0.220 175.908 176.117 0.018 0.000 0.998 37 I CA -0.508 60.805 61.300 0.021 0.000 1.227 37 I CB 0.741 38.760 38.000 0.031 0.000 1.368 37 I HN 0.580 nan 8.210 nan 0.000 0.466 38 N N 2.975 121.684 118.700 0.015 0.000 3.157 38 N HA 0.310 5.050 4.740 -0.000 0.000 0.291 38 N C 0.014 175.532 175.510 0.013 0.000 1.515 38 N CA -0.758 52.299 53.050 0.012 0.000 0.807 38 N CB 0.507 38.999 38.487 0.009 0.000 1.672 38 N HN 0.210 nan 8.380 nan 0.000 0.592 39 D N -0.243 120.163 120.400 0.010 0.000 2.106 39 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 39 D C 1.680 177.985 176.300 0.009 0.000 0.997 39 D CA 2.460 56.466 54.000 0.010 0.000 0.834 39 D CB -0.526 40.278 40.800 0.006 0.000 0.956 39 D HN 0.650 nan 8.370 nan 0.000 0.448 40 S N 0.078 115.781 115.700 0.005 0.000 2.383 40 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 40 S C 2.270 176.870 174.600 -0.000 0.000 1.026 40 S CA 0.910 59.111 58.200 0.002 0.000 0.981 40 S CB -0.601 62.598 63.200 -0.002 0.000 0.818 40 S HN 0.094 nan 8.310 nan 0.000 0.472 41 V N 2.536 122.450 119.914 0.000 0.000 2.307 41 V HA -0.076 4.044 4.120 -0.000 0.000 0.245 41 V C 3.185 179.283 176.094 0.008 0.000 1.045 41 V CA 1.624 63.922 62.300 -0.003 0.000 1.024 41 V CB -1.502 30.321 31.823 -0.001 0.000 0.651 41 V HN 0.672 nan 8.190 nan 0.000 0.449 42 A N -0.171 122.660 122.820 0.018 0.000 1.883 42 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 42 A C 2.486 180.088 177.584 0.030 0.000 1.186 42 A CA 2.344 54.399 52.037 0.031 0.000 0.624 42 A CB -0.822 18.200 19.000 0.035 0.000 0.822 42 A HN 0.519 nan 8.150 nan 0.000 0.444 43 S N -0.294 115.419 115.700 0.022 0.000 2.370 43 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 43 S C 2.297 176.912 174.600 0.024 0.000 1.033 43 S CA 1.514 59.728 58.200 0.022 0.000 1.011 43 S CB -0.486 62.723 63.200 0.014 0.000 0.852 43 S HN 0.689 nan 8.310 nan 0.000 0.457 44 S N 1.067 116.775 115.700 0.013 0.000 2.359 44 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 44 S C 1.820 176.433 174.600 0.022 0.000 1.035 44 S CA 1.046 59.249 58.200 0.006 0.000 1.018 44 S CB -0.403 62.786 63.200 -0.017 0.000 0.876 44 S HN 0.335 nan 8.310 nan 0.000 0.448 45 I N 1.453 122.041 120.570 0.030 0.000 2.179 45 I HA -0.097 4.073 4.170 -0.000 0.000 0.242 45 I C 2.461 178.620 176.117 0.069 0.000 1.088 45 I CA 0.999 62.329 61.300 0.050 0.000 1.357 45 I CB -1.670 36.362 38.000 0.053 0.000 1.051 45 I HN 0.200 nan 8.210 nan 0.000 0.409 46 V N 1.577 121.531 119.914 0.066 0.000 2.282 46 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 46 V C 2.851 179.001 176.094 0.093 0.000 1.057 46 V CA 2.043 64.391 62.300 0.080 0.000 1.032 46 V CB -1.156 30.705 31.823 0.064 0.000 0.645 46 V HN 0.487 nan 8.190 nan 0.000 0.447 47 A N -1.190 121.677 122.820 0.079 0.000 1.972 47 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 47 A C 2.161 179.826 177.584 0.135 0.000 1.169 47 A CA 1.889 53.981 52.037 0.092 0.000 0.635 47 A CB -0.414 18.619 19.000 0.054 0.000 0.810 47 A HN 0.656 nan 8.150 nan 0.000 0.446 48 Q N -0.651 119.222 119.800 0.120 0.000 2.187 48 Q HA 0.065 4.405 4.340 -0.000 0.000 0.199 48 Q C 2.005 178.127 176.000 0.203 0.000 0.957 48 Q CA 0.891 56.797 55.803 0.173 0.000 0.857 48 Q CB -0.177 28.631 28.738 0.117 0.000 0.929 48 Q HN 0.670 nan 8.270 nan 0.000 0.453 49 L N 0.214 121.521 121.223 0.141 0.000 2.044 49 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 49 L C 2.290 179.219 176.870 0.098 0.000 1.075 49 L CA 0.926 55.833 54.840 0.111 0.000 0.747 49 L CB -0.494 41.623 42.059 0.097 0.000 0.903 49 L HN 0.260 nan 8.230 nan 0.000 0.435 50 L N -0.774 120.522 121.223 0.122 0.000 1.970 50 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 50 L C 2.664 179.587 176.870 0.088 0.000 1.071 50 L CA 1.590 56.492 54.840 0.104 0.000 0.751 50 L CB -0.781 41.358 42.059 0.134 0.000 0.889 50 L HN 0.187 nan 8.230 nan 0.000 0.432 51 F N 0.828 120.795 119.950 0.030 0.000 2.043 51 F HA -0.303 4.224 4.527 -0.000 0.000 0.297 51 F C 2.203 178.014 175.800 0.017 0.000 1.118 51 F CA 1.695 59.708 58.000 0.023 0.000 1.202 51 F CB -0.509 38.507 39.000 0.026 0.000 0.965 51 F HN -0.123 nan 8.300 nan 0.000 0.482 52 L N 0.805 121.887 121.223 -0.236 0.000 2.187 52 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 52 L C 2.467 179.182 176.870 -0.260 0.000 1.100 52 L CA 1.762 56.415 54.840 -0.311 0.000 0.765 52 L CB -1.094 40.965 42.059 -0.001 0.000 0.904 52 L HN 0.375 nan 8.230 nan 0.000 0.437 53 E N -0.970 119.125 120.200 -0.175 0.000 2.107 53 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 53 E C 2.165 178.660 176.600 -0.174 0.000 0.982 53 E CA 0.912 57.226 56.400 -0.143 0.000 0.809 53 E CB 0.132 29.766 29.700 -0.111 0.000 0.756 53 E HN 0.494 nan 8.360 nan 0.000 0.459 54 A N 1.735 124.430 122.820 -0.208 0.000 1.858 54 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 54 A C 1.954 179.410 177.584 -0.213 0.000 1.190 54 A CA 1.415 53.344 52.037 -0.181 0.000 0.617 54 A CB -0.470 18.441 19.000 -0.148 0.000 0.827 54 A HN 0.174 nan 8.150 nan 0.000 0.443 55 E N -0.098 119.888 120.200 -0.356 0.000 2.086 55 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 55 E C -0.096 176.405 176.600 -0.165 0.000 1.012 55 E CA 1.476 57.704 56.400 -0.287 0.000 0.812 55 E CB -0.146 29.304 29.700 -0.417 0.000 0.743 55 E HN 0.587 nan 8.360 nan 0.000 0.453 56 D N -1.698 118.607 120.400 -0.158 0.000 2.419 56 D HA 0.067 4.707 4.640 -0.000 0.000 0.219 56 D C -2.377 173.867 176.300 -0.093 0.000 1.349 56 D CA -1.350 52.590 54.000 -0.100 0.000 0.964 56 D CB 1.443 42.199 40.800 -0.073 0.000 1.463 56 D HN -0.192 nan 8.370 nan 0.000 0.573 57 P HA -0.023 nan 4.420 nan 0.000 0.239 57 P C 0.487 177.748 177.300 -0.065 0.000 1.184 57 P CA 0.584 63.633 63.100 -0.084 0.000 0.760 57 P CB 0.855 32.503 31.700 -0.086 0.000 0.884 58 E N 0.042 120.210 120.200 -0.053 0.000 2.121 58 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 58 E C 0.650 177.233 176.600 -0.028 0.000 0.940 58 E CA 0.213 56.590 56.400 -0.038 0.000 0.884 58 E CB -0.566 29.115 29.700 -0.031 0.000 0.874 58 E HN 0.116 nan 8.360 nan 0.000 0.471 59 K N 3.139 123.523 120.400 -0.025 0.000 2.504 59 K HA -0.026 4.294 4.320 -0.000 0.000 0.278 59 K C -0.155 176.442 176.600 -0.005 0.000 1.025 59 K CA 0.401 56.681 56.287 -0.011 0.000 1.093 59 K CB -0.104 32.389 32.500 -0.011 0.000 0.873 59 K HN 0.084 nan 8.250 nan 0.000 0.483 60 D N 1.734 122.140 120.400 0.010 0.000 2.364 60 D HA 0.130 4.770 4.640 -0.000 0.000 0.236 60 D C 0.513 176.833 176.300 0.035 0.000 1.221 60 D CA 0.270 54.282 54.000 0.020 0.000 0.891 60 D CB 0.555 41.376 40.800 0.035 0.000 1.190 60 D HN 0.304 nan 8.370 nan 0.000 0.449 61 I N -0.308 120.286 120.570 0.041 0.000 2.608 61 I HA 0.415 4.585 4.170 -0.000 0.000 0.295 61 I C 0.399 176.562 176.117 0.077 0.000 1.049 61 I CA -0.900 60.437 61.300 0.063 0.000 1.063 61 I CB 2.329 40.362 38.000 0.054 0.000 1.248 61 I HN 0.246 nan 8.210 nan 0.000 0.424 62 G N 5.455 114.330 108.800 0.125 0.000 2.370 62 G HA2 0.555 4.515 3.960 -0.000 0.000 0.317 62 G HA3 0.555 4.515 3.960 -0.000 0.000 0.317 62 G C -1.290 173.708 174.900 0.164 0.000 1.162 62 G CA -0.303 44.878 45.100 0.135 0.000 0.922 62 G HN 0.362 nan 8.290 nan 0.000 0.454 63 L N 3.700 124.949 121.223 0.044 0.000 2.313 63 L HA 0.518 4.858 4.340 -0.000 0.000 0.273 63 L C -1.152 175.730 176.870 0.019 0.000 1.028 63 L CA -1.441 53.448 54.840 0.083 0.000 0.871 63 L CB 0.019 42.103 42.059 0.043 0.000 1.242 63 L HN 0.459 nan 8.230 nan 0.000 0.434 64 Y N 5.207 125.547 120.300 0.067 0.000 2.377 64 Y HA 0.438 4.988 4.550 -0.000 0.000 0.330 64 Y C 0.353 176.285 175.900 0.052 0.000 1.108 64 Y CA 0.077 58.217 58.100 0.066 0.000 1.308 64 Y CB 0.708 39.212 38.460 0.074 0.000 1.216 64 Y HN 0.409 nan 8.280 nan 0.000 0.518 65 I N 3.879 124.524 120.570 0.125 0.000 2.465 65 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 65 I C -0.454 175.717 176.117 0.090 0.000 1.014 65 I CA -0.777 60.576 61.300 0.088 0.000 1.093 65 I CB 1.742 39.765 38.000 0.037 0.000 1.267 65 I HN 0.565 nan 8.210 nan 0.000 0.431 66 N N 4.227 122.975 118.700 0.080 0.000 2.710 66 N HA 0.250 4.990 4.740 -0.000 0.000 0.244 66 N C -1.781 173.759 175.510 0.050 0.000 1.321 66 N CA 0.004 53.096 53.050 0.069 0.000 0.758 66 N CB 1.499 40.036 38.487 0.083 0.000 1.284 66 N HN 0.616 nan 8.380 nan 0.000 0.530 67 S N 2.287 118.009 115.700 0.037 0.000 2.541 67 S HA 0.632 5.102 4.470 -0.000 0.000 0.271 67 S C -2.467 172.141 174.600 0.013 0.000 1.133 67 S CA -1.049 57.167 58.200 0.027 0.000 0.876 67 S CB 1.839 65.055 63.200 0.027 0.000 1.105 67 S HN 0.294 nan 8.310 nan 0.000 0.470 68 P HA 0.327 nan 4.420 nan 0.000 0.261 68 P C 0.750 178.031 177.300 -0.031 0.000 1.268 68 P CA 0.631 63.727 63.100 -0.005 0.000 0.833 68 P CB -0.046 31.662 31.700 0.013 0.000 1.231 69 G N -1.169 107.622 108.800 -0.015 0.000 2.466 69 G HA2 0.316 4.276 3.960 -0.000 0.000 0.316 69 G HA3 0.316 4.276 3.960 -0.000 0.000 0.316 69 G C -0.380 174.526 174.900 0.009 0.000 1.270 69 G CA -0.402 44.689 45.100 -0.015 0.000 0.982 69 G HN 0.573 nan 8.290 nan 0.000 0.506 70 G N -2.802 106.008 108.800 0.017 0.000 2.344 70 G HA2 0.555 4.515 3.960 -0.000 0.000 0.282 70 G HA3 0.555 4.515 3.960 -0.000 0.000 0.282 70 G C -0.407 174.504 174.900 0.019 0.000 1.281 70 G CA 0.571 45.683 45.100 0.020 0.000 0.877 70 G HN 1.900 nan 8.290 nan 0.000 0.494 71 V N 1.756 121.679 119.914 0.015 0.000 2.584 71 V HA 0.044 4.164 4.120 -0.000 0.000 0.303 71 V C 1.986 178.081 176.094 0.002 0.000 1.035 71 V CA 0.872 63.176 62.300 0.007 0.000 1.172 71 V CB 0.263 32.090 31.823 0.008 0.000 0.896 71 V HN 0.586 nan 8.190 nan 0.000 0.486 72 I N 4.025 124.585 120.570 -0.016 0.000 2.142 72 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 72 I C 2.626 178.727 176.117 -0.027 0.000 1.078 72 I CA 1.925 63.199 61.300 -0.045 0.000 1.343 72 I CB -0.628 37.331 38.000 -0.069 0.000 1.046 72 I HN 0.914 nan 8.210 nan 0.000 0.405 73 T N -2.018 112.529 114.554 -0.013 0.000 2.833 73 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 73 T C 1.944 176.658 174.700 0.023 0.000 1.054 73 T CA 1.583 63.685 62.100 0.003 0.000 1.135 73 T CB -0.504 68.363 68.868 -0.001 0.000 0.869 73 T HN 0.232 nan 8.240 nan 0.000 0.466 74 S N 1.424 117.137 115.700 0.021 0.000 2.382 74 S HA 0.087 4.557 4.470 -0.000 0.000 0.228 74 S C 2.410 177.046 174.600 0.060 0.000 1.027 74 S CA 0.991 59.211 58.200 0.033 0.000 0.991 74 S CB -1.054 62.161 63.200 0.026 0.000 0.823 74 S HN 0.773 nan 8.310 nan 0.000 0.469 75 G N 2.056 110.894 108.800 0.064 0.000 2.421 75 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 75 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 75 G C 1.259 176.278 174.900 0.198 0.000 1.171 75 G CA 0.543 45.712 45.100 0.116 0.000 0.775 75 G HN 0.463 nan 8.290 nan 0.000 0.543 76 L N 1.015 122.343 121.223 0.176 0.000 2.353 76 L HA -0.058 4.282 4.340 -0.000 0.000 0.220 76 L C 2.985 179.982 176.870 0.212 0.000 1.133 76 L CA 0.896 55.910 54.840 0.290 0.000 0.798 76 L CB -0.357 41.818 42.059 0.192 0.000 0.922 76 L HN 0.322 nan 8.230 nan 0.000 0.445 77 S N 0.605 116.380 115.700 0.126 0.000 2.356 77 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 77 S C 1.946 176.599 174.600 0.089 0.000 1.032 77 S CA 1.191 59.434 58.200 0.072 0.000 1.005 77 S CB -0.094 63.136 63.200 0.050 0.000 0.867 77 S HN 0.339 nan 8.310 nan 0.000 0.449 78 I N 0.247 120.894 120.570 0.129 0.000 2.286 78 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 78 I C 2.314 178.537 176.117 0.177 0.000 1.104 78 I CA 1.368 62.748 61.300 0.133 0.000 1.397 78 I CB -0.610 37.467 38.000 0.128 0.000 1.072 78 I HN 0.377 nan 8.210 nan 0.000 0.417 79 Y N 2.347 122.704 120.300 0.094 0.000 2.081 79 Y HA -0.346 4.204 4.550 -0.000 0.000 0.280 79 Y C 2.150 178.091 175.900 0.069 0.000 1.163 79 Y CA 1.794 59.945 58.100 0.084 0.000 1.135 79 Y CB -0.680 37.894 38.460 0.190 0.000 0.970 79 Y HN 0.202 nan 8.280 nan 0.000 0.498 80 D N -0.824 119.472 120.400 -0.173 0.000 2.117 80 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 80 D C 2.186 178.441 176.300 -0.076 0.000 0.982 80 D CA 2.018 55.844 54.000 -0.289 0.000 0.828 80 D CB -0.519 40.163 40.800 -0.198 0.000 0.967 80 D HN 0.396 nan 8.370 nan 0.000 0.464 81 T N 0.950 115.514 114.554 0.016 0.000 2.720 81 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 81 T C 2.115 176.892 174.700 0.129 0.000 1.037 81 T CA 0.975 63.155 62.100 0.134 0.000 1.144 81 T CB -0.195 68.743 68.868 0.116 0.000 0.864 81 T HN 0.152 nan 8.240 nan 0.000 0.444 82 M N 1.151 120.795 119.600 0.073 0.000 2.144 82 M HA -0.113 4.367 4.480 -0.000 0.000 0.260 82 M C 1.673 177.989 176.300 0.026 0.000 1.067 82 M CA 1.324 56.659 55.300 0.057 0.000 1.095 82 M CB -0.265 32.382 32.600 0.078 0.000 1.365 82 M HN 0.146 nan 8.290 nan 0.000 0.406 83 N N -1.100 117.593 118.700 -0.011 0.000 2.254 83 N HA 0.023 4.763 4.740 -0.000 0.000 0.190 83 N C 1.213 176.752 175.510 0.047 0.000 1.107 83 N CA 0.401 53.436 53.050 -0.025 0.000 0.869 83 N CB 0.141 38.558 38.487 -0.115 0.000 0.983 83 N HN 0.246 nan 8.380 nan 0.000 0.487 84 F N 2.807 122.703 119.950 -0.089 0.000 2.187 84 F HA 0.170 4.697 4.527 -0.000 0.000 0.295 84 F C 1.107 176.881 175.800 -0.044 0.000 1.091 84 F CA 0.050 58.011 58.000 -0.066 0.000 1.308 84 F CB -0.261 38.704 39.000 -0.058 0.000 1.030 84 F HN -0.168 nan 8.300 nan 0.000 0.487 85 I N -0.859 119.618 120.570 -0.155 0.000 3.138 85 I HA 0.178 4.348 4.170 -0.000 0.000 0.288 85 I C 1.508 177.514 176.117 -0.185 0.000 1.148 85 I CA -0.665 60.476 61.300 -0.266 0.000 1.315 85 I CB 0.534 38.464 38.000 -0.118 0.000 1.426 85 I HN 0.021 nan 8.210 nan 0.000 0.615 86 R N 1.188 121.584 120.500 -0.174 0.000 2.055 86 R HA 0.119 4.459 4.340 -0.000 0.000 0.228 86 R C -1.432 174.822 176.300 -0.078 0.000 1.143 86 R CA 0.371 56.399 56.100 -0.120 0.000 0.945 86 R CB -1.858 28.374 30.300 -0.114 0.000 0.841 86 R HN 0.630 nan 8.270 nan 0.000 0.429 87 P HA -0.063 nan 4.420 nan 0.000 0.266 87 P C -0.992 176.290 177.300 -0.030 0.000 1.193 87 P CA 0.468 63.542 63.100 -0.043 0.000 0.770 87 P CB 0.349 32.025 31.700 -0.040 0.000 0.836 88 D N 1.217 121.604 120.400 -0.022 0.000 2.371 88 D HA 0.139 4.779 4.640 -0.000 0.000 0.256 88 D C -0.223 176.070 176.300 -0.012 0.000 1.193 88 D CA 0.126 54.114 54.000 -0.020 0.000 0.881 88 D CB 0.363 41.152 40.800 -0.018 0.000 1.143 88 D HN -0.022 nan 8.370 nan 0.000 0.473 89 V N 3.055 122.959 119.914 -0.016 0.000 2.304 89 V HA 0.150 4.270 4.120 -0.000 0.000 0.269 89 V C 0.549 176.620 176.094 -0.038 0.000 1.036 89 V CA -0.628 61.668 62.300 -0.008 0.000 0.840 89 V CB 1.005 32.833 31.823 0.007 0.000 1.036 89 V HN 0.538 nan 8.190 nan 0.000 0.466 90 S N 4.665 120.342 115.700 -0.039 0.000 2.565 90 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 90 S C 0.206 174.741 174.600 -0.108 0.000 1.309 90 S CA -0.241 57.900 58.200 -0.098 0.000 1.043 90 S CB 1.146 64.332 63.200 -0.024 0.000 0.939 90 S HN 0.885 nan 8.310 nan 0.000 0.504 91 T N 1.903 116.353 114.554 -0.174 0.000 2.888 91 T HA 0.712 5.062 4.350 -0.000 0.000 0.284 91 T C -0.309 174.286 174.700 -0.175 0.000 1.017 91 T CA -0.841 61.165 62.100 -0.156 0.000 1.022 91 T CB 0.680 69.470 68.868 -0.130 0.000 1.013 91 T HN 0.622 nan 8.240 nan 0.000 0.465 92 I N 1.700 122.131 120.570 -0.231 0.000 2.503 92 I HA 0.272 4.442 4.170 -0.000 0.000 0.282 92 I C -0.099 175.952 176.117 -0.109 0.000 1.059 92 I CA -0.894 60.273 61.300 -0.222 0.000 1.081 92 I CB 1.577 39.199 38.000 -0.631 0.000 1.210 92 I HN 0.821 nan 8.210 nan 0.000 0.450 93 C N 8.879 128.166 119.300 -0.021 0.000 2.540 93 C HA 0.528 4.988 4.460 -0.000 0.000 0.377 93 C C 0.408 175.439 174.990 0.069 0.000 1.274 93 C CA -0.429 58.602 59.018 0.022 0.000 1.718 93 C CB -1.449 26.297 27.740 0.009 0.000 2.391 93 C HN 0.657 nan 8.230 nan 0.000 0.565 94 I N 5.395 126.029 120.570 0.108 0.000 2.436 94 I HA 0.759 4.929 4.170 -0.000 0.000 0.289 94 I C 0.608 176.787 176.117 0.103 0.000 1.010 94 I CA 0.319 61.698 61.300 0.132 0.000 1.098 94 I CB 1.506 39.629 38.000 0.205 0.000 1.266 94 I HN 0.887 nan 8.210 nan 0.000 0.434 95 G N 5.367 114.222 108.800 0.091 0.000 5.353 95 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.283 95 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.283 95 G C -0.025 174.916 174.900 0.068 0.000 1.457 95 G CA 0.674 45.820 45.100 0.076 0.000 0.951 95 G HN 1.285 nan 8.290 nan 0.000 0.731 96 Q N -1.139 118.697 119.800 0.060 0.000 2.647 96 Q HA 0.684 5.024 4.340 -0.000 0.000 0.283 96 Q C -1.187 174.832 176.000 0.031 0.000 0.943 96 Q CA -0.257 55.575 55.803 0.048 0.000 0.813 96 Q CB 1.403 30.176 28.738 0.058 0.000 1.477 96 Q HN 2.040 nan 8.270 nan 0.000 0.393 97 A N 0.962 123.787 122.820 0.009 0.000 2.522 97 A HA 0.846 5.166 4.320 -0.000 0.000 0.285 97 A C -1.106 176.451 177.584 -0.044 0.000 1.198 97 A CA 0.067 52.097 52.037 -0.011 0.000 0.742 97 A CB 1.005 19.993 19.000 -0.020 0.000 1.176 97 A HN 0.979 nan 8.150 nan 0.000 0.444 98 A N 1.928 124.714 122.820 -0.056 0.000 2.355 98 A HA 0.896 5.216 4.320 -0.000 0.000 0.317 98 A C 0.723 178.198 177.584 -0.183 0.000 1.094 98 A CA 0.330 52.289 52.037 -0.129 0.000 0.764 98 A CB 0.560 19.497 19.000 -0.105 0.000 1.230 98 A HN 2.084 nan 8.150 nan 0.000 0.448 99 S N 0.101 115.614 115.700 -0.312 0.000 4.064 99 S HA -0.325 4.145 4.470 -0.000 0.000 0.625 99 S C 1.394 175.931 174.600 -0.104 0.000 2.010 99 S CA 1.630 59.582 58.200 -0.414 0.000 4.186 99 S CB -1.307 61.582 63.200 -0.518 0.000 0.211 99 S HN 1.894 nan 8.310 nan 0.000 0.605 100 M N 3.007 122.581 119.600 -0.043 0.000 2.358 100 M HA 0.109 4.589 4.480 -0.000 0.000 0.264 100 M C 1.783 178.146 176.300 0.104 0.000 1.064 100 M CA 2.484 57.819 55.300 0.059 0.000 1.093 100 M CB -1.145 31.471 32.600 0.028 0.000 1.401 100 M HN 0.608 nan 8.290 nan 0.000 0.440 101 G N -0.833 107.985 108.800 0.029 0.000 2.402 101 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.216 101 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.216 101 G C 1.509 176.418 174.900 0.015 0.000 1.162 101 G CA 0.723 45.838 45.100 0.026 0.000 0.777 101 G HN 0.636 nan 8.290 nan 0.000 0.539 102 A N 0.204 123.021 122.820 -0.004 0.000 1.968 102 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 102 A C 2.077 179.662 177.584 0.001 0.000 1.169 102 A CA 1.234 53.256 52.037 -0.026 0.000 0.638 102 A CB -0.449 18.512 19.000 -0.064 0.000 0.812 102 A HN 0.359 nan 8.150 nan 0.000 0.446 103 F N 0.863 120.757 119.950 -0.092 0.000 2.069 103 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 103 F C 1.886 177.612 175.800 -0.124 0.000 1.113 103 F CA 1.820 59.755 58.000 -0.109 0.000 1.214 103 F CB -0.384 38.550 39.000 -0.108 0.000 0.978 103 F HN 0.142 nan 8.300 nan 0.000 0.474 104 L N -0.370 120.804 121.223 -0.082 0.000 2.046 104 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 104 L C 2.484 179.252 176.870 -0.170 0.000 1.077 104 L CA 1.062 55.815 54.840 -0.144 0.000 0.747 104 L CB -0.903 41.175 42.059 0.032 0.000 0.896 104 L HN 0.299 nan 8.230 nan 0.000 0.432 105 L N 0.278 121.431 121.223 -0.117 0.000 2.043 105 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 105 L C 2.711 179.483 176.870 -0.163 0.000 1.075 105 L CA 2.348 57.119 54.840 -0.115 0.000 0.752 105 L CB -0.632 41.377 42.059 -0.083 0.000 0.891 105 L HN 0.383 nan 8.230 nan 0.000 0.432 106 S N -2.971 112.603 115.700 -0.209 0.000 2.561 106 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 106 S C 1.665 176.109 174.600 -0.260 0.000 0.977 106 S CA 0.608 58.677 58.200 -0.218 0.000 0.926 106 S CB -1.341 61.739 63.200 -0.201 0.000 0.769 106 S HN 0.511 nan 8.310 nan 0.000 0.533 107 C N 2.377 121.489 119.300 -0.314 0.000 2.625 107 C HA 0.478 4.938 4.460 -0.000 0.000 0.285 107 C C 1.626 176.563 174.990 -0.088 0.000 1.279 107 C CA -0.898 57.985 59.018 -0.225 0.000 1.698 107 C CB -1.816 25.757 27.740 -0.278 0.000 1.821 107 C HN 0.698 nan 8.230 nan 0.000 0.600 108 G N 0.477 109.202 108.800 -0.125 0.000 2.476 108 G HA2 0.490 4.450 3.960 -0.000 0.000 0.269 108 G HA3 0.490 4.450 3.960 -0.000 0.000 0.269 108 G C 0.166 174.996 174.900 -0.117 0.000 1.195 108 G CA 0.024 45.056 45.100 -0.113 0.000 0.843 108 G HN 0.610 nan 8.290 nan 0.000 0.545 109 A N 1.166 123.926 122.820 -0.100 0.000 2.598 109 A HA 0.158 4.478 4.320 -0.000 0.000 0.239 109 A C 0.944 178.449 177.584 -0.131 0.000 1.032 109 A CA 0.392 52.374 52.037 -0.092 0.000 0.760 109 A CB 0.003 18.957 19.000 -0.077 0.000 0.946 109 A HN 0.736 nan 8.150 nan 0.000 0.512 110 K N 1.629 121.968 120.400 -0.100 0.000 2.451 110 K HA 0.319 4.639 4.320 -0.000 0.000 0.280 110 K C 1.323 177.852 176.600 -0.119 0.000 1.020 110 K CA 1.142 57.364 56.287 -0.109 0.000 1.008 110 K CB -0.082 32.375 32.500 -0.073 0.000 0.917 110 K HN 1.540 nan 8.250 nan 0.000 0.478 111 G N 3.851 112.557 108.800 -0.156 0.000 2.279 111 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.223 111 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.223 111 G C 0.230 174.956 174.900 -0.290 0.000 1.015 111 G CA 0.180 45.199 45.100 -0.135 0.000 0.621 111 G HN 0.594 nan 8.290 nan 0.000 0.506 112 K N 0.758 120.883 120.400 -0.458 0.000 2.699 112 K HA 0.421 4.741 4.320 -0.000 0.000 0.210 112 K C 0.494 176.346 176.600 -1.246 0.000 1.076 112 K CA -0.161 55.567 56.287 -0.933 0.000 1.109 112 K CB 0.617 32.919 32.500 -0.331 0.000 0.862 112 K HN 0.307 nan 8.250 nan 0.000 0.470 113 R N 1.082 120.988 120.500 -0.990 0.000 2.280 113 R HA 0.312 4.652 4.340 -0.000 0.000 0.326 113 R C -0.873 175.110 176.300 -0.529 0.000 1.080 113 R CA -0.383 55.353 56.100 -0.606 0.000 1.002 113 R CB 0.242 30.351 30.300 -0.319 0.000 1.136 113 R HN -0.026 nan 8.270 nan 0.000 0.509 114 F N -0.119 119.779 119.950 -0.086 0.000 2.497 114 F HA 0.595 5.122 4.527 -0.000 0.000 0.331 114 F C 0.785 176.537 175.800 -0.081 0.000 1.060 114 F CA -1.046 56.907 58.000 -0.078 0.000 0.989 114 F CB 1.782 40.733 39.000 -0.083 0.000 1.245 114 F HN 0.196 nan 8.300 nan 0.000 0.486 115 S N 0.601 116.397 115.700 0.159 0.000 2.579 115 S HA 0.705 5.175 4.470 -0.000 0.000 0.272 115 S C -1.345 173.292 174.600 0.061 0.000 1.141 115 S CA -0.754 57.489 58.200 0.071 0.000 0.843 115 S CB 0.879 64.098 63.200 0.032 0.000 1.122 115 S HN 0.574 nan 8.310 nan 0.000 0.468 116 L N 3.939 125.197 121.223 0.058 0.000 2.399 116 L HA 0.425 4.765 4.340 -0.000 0.000 0.266 116 L C -1.015 175.864 176.870 0.015 0.000 1.114 116 L CA -2.178 52.697 54.840 0.059 0.000 0.804 116 L CB 0.934 43.053 42.059 0.100 0.000 1.146 116 L HN 0.619 nan 8.230 nan 0.000 0.451 117 P HA -0.225 nan 4.420 nan 0.000 0.218 117 P C 0.652 177.661 177.300 -0.485 0.000 1.147 117 P CA 1.753 64.717 63.100 -0.228 0.000 0.827 117 P CB 0.079 31.652 31.700 -0.211 0.000 0.778 118 H N -2.040 117.044 119.070 0.024 0.000 2.662 118 H HA 0.321 4.877 4.556 -0.000 0.000 0.268 118 H C 0.419 175.761 175.328 0.025 0.000 1.152 118 H CA -0.290 55.771 56.048 0.021 0.000 1.072 118 H CB 0.500 30.273 29.762 0.019 0.000 1.660 118 H HN 0.080 nan 8.280 nan 0.000 0.584 119 S N 1.894 117.643 115.700 0.081 0.000 2.593 119 S HA 0.263 4.733 4.470 -0.000 0.000 0.269 119 S C 0.841 175.468 174.600 0.045 0.000 1.334 119 S CA -0.554 57.686 58.200 0.067 0.000 1.015 119 S CB 1.140 64.371 63.200 0.051 0.000 0.912 119 S HN 0.562 nan 8.310 nan 0.000 0.541 120 R N 0.480 121.011 120.500 0.052 0.000 2.534 120 R HA 0.677 5.017 4.340 -0.000 0.000 0.301 120 R C -1.744 174.575 176.300 0.032 0.000 0.961 120 R CA -0.652 55.481 56.100 0.055 0.000 0.871 120 R CB 0.485 30.846 30.300 0.101 0.000 1.170 120 R HN 0.365 nan 8.270 nan 0.000 0.446 121 I N 3.905 124.465 120.570 -0.016 0.000 2.377 121 I HA 0.390 4.560 4.170 -0.000 0.000 0.293 121 I C -0.290 175.739 176.117 -0.147 0.000 0.987 121 I CA -0.654 60.598 61.300 -0.080 0.000 1.185 121 I CB 1.879 39.807 38.000 -0.119 0.000 1.341 121 I HN 0.635 nan 8.210 nan 0.000 0.455 122 M N 8.427 127.913 119.600 -0.191 0.000 2.263 122 M HA 0.571 5.051 4.480 -0.000 0.000 0.295 122 M C -1.406 174.722 176.300 -0.286 0.000 1.028 122 M CA -0.642 54.456 55.300 -0.337 0.000 0.921 122 M CB 1.771 34.024 32.600 -0.579 0.000 1.601 122 M HN 0.595 nan 8.290 nan 0.000 0.440 123 I N 2.732 123.165 120.570 -0.227 0.000 2.562 123 I HA 0.769 4.939 4.170 -0.000 0.000 0.301 123 I C -0.769 175.374 176.117 0.042 0.000 1.003 123 I CA -0.498 60.745 61.300 -0.095 0.000 1.127 123 I CB 2.151 40.124 38.000 -0.044 0.000 1.304 123 I HN 0.936 nan 8.210 nan 0.000 0.446 124 H N 2.364 121.419 119.070 -0.024 0.000 2.950 124 H HA 0.469 5.025 4.556 -0.000 0.000 0.272 124 H C -1.735 173.581 175.328 -0.020 0.000 1.495 124 H CA -1.236 54.799 56.048 -0.020 0.000 1.183 124 H CB 1.190 30.922 29.762 -0.051 0.000 1.867 124 H HN 0.754 nan 8.280 nan 0.000 0.597 125 Q N 0.658 120.352 119.800 -0.177 0.000 2.205 125 Q HA 0.505 4.845 4.340 -0.000 0.000 0.249 125 Q C -2.637 173.027 176.000 -0.560 0.000 0.948 125 Q CA -2.190 53.463 55.803 -0.249 0.000 0.895 125 Q CB 1.572 30.214 28.738 -0.159 0.000 1.249 125 Q HN 0.360 nan 8.270 nan 0.000 0.458 126 P HA -0.027 nan 4.420 nan 0.000 0.269 126 P C -0.920 176.228 177.300 -0.253 0.000 1.217 126 P CA 0.252 63.208 63.100 -0.241 0.000 0.783 126 P CB 0.592 32.213 31.700 -0.132 0.000 0.898 127 L N 1.007 122.134 121.223 -0.160 0.000 2.365 127 L HA 0.812 5.152 4.340 -0.000 0.000 0.273 127 L C 0.824 177.662 176.870 -0.054 0.000 1.000 127 L CA -0.257 54.524 54.840 -0.099 0.000 0.819 127 L CB 2.180 44.213 42.059 -0.043 0.000 1.284 127 L HN 0.585 nan 8.230 nan 0.000 0.418 128 G N 0.741 109.515 108.800 -0.044 0.000 2.682 128 G HA2 0.749 4.709 3.960 -0.000 0.000 0.303 128 G HA3 0.749 4.709 3.960 -0.000 0.000 0.303 128 G C -1.548 173.338 174.900 -0.022 0.000 1.341 128 G CA -0.217 44.865 45.100 -0.030 0.000 0.784 128 G HN 0.810 nan 8.290 nan 0.000 0.497 129 G N -1.805 106.985 108.800 -0.018 0.000 2.704 129 G HA2 0.915 4.875 3.960 -0.000 0.000 0.293 129 G HA3 0.915 4.875 3.960 -0.000 0.000 0.293 129 G C -1.160 173.732 174.900 -0.013 0.000 1.421 129 G CA 0.363 45.454 45.100 -0.014 0.000 0.870 129 G HN 1.871 nan 8.290 nan 0.000 0.492 130 A N 0.237 123.050 122.820 -0.012 0.000 2.589 130 A HA 0.869 5.189 4.320 -0.000 0.000 0.296 130 A C -0.978 176.601 177.584 -0.008 0.000 1.062 130 A CA -0.459 51.572 52.037 -0.010 0.000 0.686 130 A CB 2.112 21.105 19.000 -0.012 0.000 1.282 130 A HN 1.127 nan 8.150 nan 0.000 0.404 131 Q N 0.950 120.746 119.800 -0.007 0.000 2.418 131 Q HA 0.644 4.984 4.340 -0.000 0.000 0.282 131 Q C -0.201 175.796 176.000 -0.006 0.000 1.044 131 Q CA 0.088 55.888 55.803 -0.006 0.000 0.813 131 Q CB 2.177 30.912 28.738 -0.005 0.000 1.428 131 Q HN 2.656 nan 8.270 nan 0.000 0.402 132 G N 1.430 110.227 108.800 -0.005 0.000 2.270 132 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.268 132 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.268 132 G C -1.317 173.580 174.900 -0.005 0.000 1.312 132 G CA -0.740 44.357 45.100 -0.005 0.000 1.050 132 G HN 0.622 nan 8.290 nan 0.000 0.474 133 Q N -0.178 119.619 119.800 -0.005 0.000 2.492 133 Q HA 0.457 4.797 4.340 -0.000 0.000 0.238 133 Q C 1.851 177.847 176.000 -0.005 0.000 1.045 133 Q CA 0.172 55.972 55.803 -0.004 0.000 0.934 133 Q CB 0.949 29.685 28.738 -0.004 0.000 1.276 133 Q HN 1.142 nan 8.270 nan 0.000 0.521 134 A N 1.298 124.115 122.820 -0.005 0.000 1.940 134 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 134 A C 2.177 179.757 177.584 -0.006 0.000 1.176 134 A CA 2.077 54.111 52.037 -0.006 0.000 0.631 134 A CB -0.501 18.496 19.000 -0.005 0.000 0.814 134 A HN 0.699 nan 8.150 nan 0.000 0.446 135 S N 0.038 115.735 115.700 -0.005 0.000 2.368 135 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 135 S C 1.579 176.175 174.600 -0.006 0.000 1.030 135 S CA 1.455 59.652 58.200 -0.006 0.000 0.999 135 S CB -0.376 62.821 63.200 -0.005 0.000 0.844 135 S HN 0.621 nan 8.310 nan 0.000 0.459 136 D N 1.077 121.473 120.400 -0.006 0.000 2.183 136 D HA 0.075 4.715 4.640 -0.000 0.000 0.203 136 D C 1.832 178.127 176.300 -0.008 0.000 0.969 136 D CA 0.538 54.533 54.000 -0.007 0.000 0.842 136 D CB -0.275 40.521 40.800 -0.006 0.000 0.957 136 D HN 0.337 nan 8.370 nan 0.000 0.484 137 I N 1.127 121.693 120.570 -0.008 0.000 2.226 137 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 137 I C 2.485 178.596 176.117 -0.010 0.000 1.100 137 I CA 1.113 62.408 61.300 -0.009 0.000 1.374 137 I CB -0.111 37.884 38.000 -0.009 0.000 1.057 137 I HN 0.015 nan 8.210 nan 0.000 0.413 138 E N 1.557 121.752 120.200 -0.009 0.000 2.038 138 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 138 E C 2.329 178.922 176.600 -0.011 0.000 1.000 138 E CA 1.579 57.973 56.400 -0.010 0.000 0.803 138 E CB -0.105 29.590 29.700 -0.008 0.000 0.750 138 E HN 0.422 nan 8.360 nan 0.000 0.448 139 I N 0.878 121.442 120.570 -0.010 0.000 2.151 139 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 139 I C 2.445 178.555 176.117 -0.012 0.000 1.080 139 I CA 1.255 62.549 61.300 -0.010 0.000 1.339 139 I CB -0.204 37.791 38.000 -0.009 0.000 1.039 139 I HN 0.271 nan 8.210 nan 0.000 0.409 140 I N -0.572 119.990 120.570 -0.012 0.000 2.315 140 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 140 I C 2.725 178.832 176.117 -0.018 0.000 1.117 140 I CA 1.165 62.456 61.300 -0.015 0.000 1.404 140 I CB -0.363 37.629 38.000 -0.014 0.000 1.071 140 I HN 0.207 nan 8.210 nan 0.000 0.419 141 S N 1.156 116.845 115.700 -0.017 0.000 2.359 141 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 141 S C 1.833 176.421 174.600 -0.020 0.000 1.035 141 S CA 1.732 59.920 58.200 -0.020 0.000 1.018 141 S CB -0.254 62.936 63.200 -0.017 0.000 0.876 141 S HN 0.424 nan 8.310 nan 0.000 0.448 142 N N 1.007 119.697 118.700 -0.017 0.000 2.309 142 N HA -0.067 4.673 4.740 -0.000 0.000 0.182 142 N C 1.685 177.184 175.510 -0.018 0.000 1.018 142 N CA 1.060 54.101 53.050 -0.016 0.000 0.876 142 N CB -0.510 37.970 38.487 -0.012 0.000 0.972 142 N HN 0.497 nan 8.380 nan 0.000 0.434 143 E N 1.186 121.375 120.200 -0.018 0.000 2.107 143 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 143 E C 1.848 178.432 176.600 -0.026 0.000 0.982 143 E CA 0.510 56.898 56.400 -0.020 0.000 0.809 143 E CB -0.254 29.435 29.700 -0.018 0.000 0.756 143 E HN 0.357 nan 8.360 nan 0.000 0.459 144 I N -0.371 120.181 120.570 -0.030 0.000 2.500 144 I HA -0.123 4.047 4.170 -0.000 0.000 0.252 144 I C 1.829 177.920 176.117 -0.044 0.000 1.142 144 I CA 0.487 61.763 61.300 -0.040 0.000 1.451 144 I CB 0.122 38.096 38.000 -0.043 0.000 1.093 144 I HN 0.151 nan 8.210 nan 0.000 0.430 145 L N 0.286 121.488 121.223 -0.035 0.000 2.093 145 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 145 L C 2.648 179.501 176.870 -0.029 0.000 1.085 145 L CA 1.059 55.879 54.840 -0.033 0.000 0.755 145 L CB -0.592 41.452 42.059 -0.025 0.000 0.904 145 L HN 0.227 nan 8.230 nan 0.000 0.435 146 R N 0.550 121.035 120.500 -0.025 0.000 2.148 146 R HA -0.131 4.209 4.340 -0.000 0.000 0.227 146 R C 2.158 178.443 176.300 -0.026 0.000 1.103 146 R CA 1.098 57.187 56.100 -0.019 0.000 0.983 146 R CB -0.043 30.248 30.300 -0.015 0.000 0.874 146 R HN 0.348 nan 8.270 nan 0.000 0.451 147 L N 0.416 121.615 121.223 -0.039 0.000 2.209 147 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 147 L C 2.586 179.412 176.870 -0.073 0.000 1.094 147 L CA 0.937 55.742 54.840 -0.058 0.000 0.790 147 L CB -0.265 41.753 42.059 -0.068 0.000 0.932 147 L HN 0.201 nan 8.230 nan 0.000 0.447 148 K N 0.314 120.677 120.400 -0.062 0.000 2.057 148 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 148 K C 1.967 178.544 176.600 -0.037 0.000 1.050 148 K CA 1.451 57.702 56.287 -0.061 0.000 0.935 148 K CB -0.177 32.289 32.500 -0.056 0.000 0.715 148 K HN 0.284 nan 8.250 nan 0.000 0.439 149 G N 1.645 110.430 108.800 -0.024 0.000 2.396 149 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 149 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 149 G C 1.485 176.387 174.900 0.002 0.000 1.166 149 G CA 0.546 45.642 45.100 -0.006 0.000 0.793 149 G HN 0.328 nan 8.290 nan 0.000 0.533 150 L N -0.059 121.162 121.223 -0.004 0.000 2.013 150 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 150 L C 2.859 179.741 176.870 0.019 0.000 1.073 150 L CA 1.645 56.492 54.840 0.013 0.000 0.753 150 L CB -0.116 41.947 42.059 0.006 0.000 0.890 150 L HN 0.209 nan 8.230 nan 0.000 0.432 151 M N -0.827 118.750 119.600 -0.038 0.000 2.236 151 M HA -0.130 4.350 4.480 -0.000 0.000 0.266 151 M C 1.862 178.192 176.300 0.049 0.000 1.070 151 M CA 1.042 56.303 55.300 -0.065 0.000 1.137 151 M CB -0.469 31.961 32.600 -0.284 0.000 1.378 151 M HN 0.323 nan 8.290 nan 0.000 0.426 152 N N 0.228 118.947 118.700 0.031 0.000 2.142 152 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 152 N C 1.831 177.383 175.510 0.069 0.000 1.023 152 N CA 1.500 54.587 53.050 0.060 0.000 0.852 152 N CB -0.407 38.104 38.487 0.041 0.000 0.998 152 N HN 0.224 nan 8.380 nan 0.000 0.424 153 S N 0.604 116.338 115.700 0.056 0.000 2.383 153 S HA 0.006 4.476 4.470 -0.000 0.000 0.229 153 S C 1.936 176.576 174.600 0.067 0.000 1.030 153 S CA 0.657 58.889 58.200 0.053 0.000 1.002 153 S CB -0.173 63.054 63.200 0.046 0.000 0.829 153 S HN 0.251 nan 8.310 nan 0.000 0.467 154 I N 0.416 121.047 120.570 0.102 0.000 2.439 154 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 154 I C 2.165 178.321 176.117 0.067 0.000 1.139 154 I CA 0.497 61.862 61.300 0.109 0.000 1.438 154 I CB -0.196 37.921 38.000 0.195 0.000 1.085 154 I HN 0.306 nan 8.210 nan 0.000 0.427 155 L N 0.906 122.198 121.223 0.115 0.000 2.072 155 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 155 L C 2.634 179.526 176.870 0.037 0.000 1.079 155 L CA 1.835 56.725 54.840 0.083 0.000 0.752 155 L CB -0.691 41.462 42.059 0.157 0.000 0.906 155 L HN 0.155 nan 8.230 nan 0.000 0.436 156 A N -1.308 121.536 122.820 0.041 0.000 1.978 156 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 156 A C 2.279 179.852 177.584 -0.019 0.000 1.170 156 A CA 1.938 53.977 52.037 0.004 0.000 0.636 156 A CB -0.576 18.433 19.000 0.015 0.000 0.810 156 A HN 0.598 nan 8.150 nan 0.000 0.448 157 Q N -0.790 119.008 119.800 -0.003 0.000 2.187 157 Q HA -0.123 4.217 4.340 -0.000 0.000 0.199 157 Q C 1.493 177.476 176.000 -0.029 0.000 0.957 157 Q CA 1.246 57.043 55.803 -0.009 0.000 0.857 157 Q CB -0.055 28.691 28.738 0.014 0.000 0.929 157 Q HN 0.604 nan 8.270 nan 0.000 0.453 158 N N -0.115 118.558 118.700 -0.044 0.000 2.300 158 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 158 N C 1.470 176.935 175.510 -0.075 0.000 1.016 158 N CA 1.473 54.478 53.050 -0.075 0.000 0.876 158 N CB 0.162 38.572 38.487 -0.128 0.000 0.979 158 N HN 0.314 nan 8.380 nan 0.000 0.432 159 S N -2.298 113.358 115.700 -0.072 0.000 2.512 159 S HA 0.353 4.823 4.470 -0.000 0.000 0.216 159 S C 1.455 175.979 174.600 -0.127 0.000 1.006 159 S CA 0.463 58.603 58.200 -0.100 0.000 0.915 159 S CB 0.743 63.871 63.200 -0.121 0.000 0.824 159 S HN 0.329 nan 8.310 nan 0.000 0.497 160 G N 0.955 109.695 108.800 -0.100 0.000 2.225 160 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 160 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 160 G C 0.102 174.933 174.900 -0.115 0.000 0.988 160 G CA 0.146 45.191 45.100 -0.093 0.000 0.625 160 G HN 0.511 nan 8.290 nan 0.000 0.527 161 Q N 1.078 120.776 119.800 -0.170 0.000 2.492 161 Q HA 0.491 4.831 4.340 -0.000 0.000 0.238 161 Q C 1.061 177.011 176.000 -0.084 0.000 1.045 161 Q CA 0.693 56.388 55.803 -0.181 0.000 0.934 161 Q CB 1.042 29.605 28.738 -0.291 0.000 1.276 161 Q HN 0.848 nan 8.270 nan 0.000 0.521 162 S N 0.134 115.801 115.700 -0.054 0.000 2.693 162 S HA 0.232 4.702 4.470 -0.000 0.000 0.276 162 S C 1.101 175.702 174.600 0.001 0.000 1.192 162 S CA -0.872 57.315 58.200 -0.021 0.000 0.994 162 S CB 0.678 63.870 63.200 -0.013 0.000 1.012 162 S HN 0.597 nan 8.310 nan 0.000 0.550 163 L N 1.020 122.248 121.223 0.009 0.000 2.017 163 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 163 L C 2.471 179.358 176.870 0.028 0.000 1.073 163 L CA 2.085 56.938 54.840 0.021 0.000 0.745 163 L CB -1.563 40.506 42.059 0.017 0.000 0.894 163 L HN 0.885 nan 8.230 nan 0.000 0.432 164 E N -0.675 119.538 120.200 0.021 0.000 2.023 164 E HA -0.335 4.015 4.350 -0.000 0.000 0.196 164 E C 2.008 178.631 176.600 0.039 0.000 1.003 164 E CA 1.526 57.940 56.400 0.024 0.000 0.809 164 E CB -0.209 29.501 29.700 0.016 0.000 0.755 164 E HN 0.386 nan 8.360 nan 0.000 0.449 165 Q N 0.645 120.471 119.800 0.043 0.000 2.181 165 Q HA -0.158 4.182 4.340 -0.000 0.000 0.205 165 Q C 1.962 178.043 176.000 0.136 0.000 0.980 165 Q CA 1.204 57.052 55.803 0.075 0.000 0.862 165 Q CB -0.029 28.741 28.738 0.054 0.000 0.905 165 Q HN 0.232 nan 8.270 nan 0.000 0.429 166 I N 0.020 120.662 120.570 0.119 0.000 2.353 166 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 166 I C 2.028 178.228 176.117 0.139 0.000 1.119 166 I CA 1.211 62.615 61.300 0.174 0.000 1.417 166 I CB -1.568 36.507 38.000 0.125 0.000 1.078 166 I HN 0.317 nan 8.210 nan 0.000 0.421 167 A N 0.907 123.778 122.820 0.085 0.000 1.855 167 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 167 A C 2.340 179.952 177.584 0.047 0.000 1.191 167 A CA 1.432 53.502 52.037 0.055 0.000 0.613 167 A CB -0.492 18.528 19.000 0.032 0.000 0.829 167 A HN 0.306 nan 8.150 nan 0.000 0.442 168 K N -0.406 120.021 120.400 0.044 0.000 2.103 168 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 168 K C 1.293 177.891 176.600 -0.005 0.000 1.048 168 K CA 1.513 57.810 56.287 0.016 0.000 0.930 168 K CB -0.222 32.287 32.500 0.015 0.000 0.716 168 K HN 0.439 nan 8.250 nan 0.000 0.444 169 D N -0.253 120.179 120.400 0.053 0.000 2.234 169 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 169 D C 1.720 178.069 176.300 0.082 0.000 0.962 169 D CA 1.336 55.351 54.000 0.025 0.000 0.855 169 D CB 0.037 41.030 40.800 0.321 0.000 0.951 169 D HN 0.328 nan 8.370 nan 0.000 0.500 170 T N -2.050 112.575 114.554 0.118 0.000 3.086 170 T HA -0.001 4.349 4.350 -0.000 0.000 0.250 170 T C 1.325 176.050 174.700 0.043 0.000 1.074 170 T CA -0.048 62.120 62.100 0.114 0.000 0.988 170 T CB 0.492 69.435 68.868 0.125 0.000 0.988 170 T HN -0.227 nan 8.240 nan 0.000 0.530 171 D N 2.071 122.475 120.400 0.007 0.000 2.116 171 D HA -0.081 4.559 4.640 -0.000 0.000 0.193 171 D C 0.934 177.221 176.300 -0.022 0.000 0.998 171 D CA 1.188 55.177 54.000 -0.019 0.000 0.836 171 D CB 0.209 40.992 40.800 -0.027 0.000 0.951 171 D HN 0.438 nan 8.370 nan 0.000 0.449 172 R N 0.269 120.757 120.500 -0.019 0.000 2.854 172 R HA 0.250 4.590 4.340 -0.000 0.000 0.271 172 R C -0.850 175.464 176.300 0.024 0.000 0.996 172 R CA -0.897 55.201 56.100 -0.003 0.000 0.961 172 R CB 1.144 31.435 30.300 -0.014 0.000 1.182 172 R HN 0.018 nan 8.270 nan 0.000 0.479 173 D N 1.486 121.916 120.400 0.050 0.000 2.648 173 D HA -0.119 4.521 4.640 -0.000 0.000 0.229 173 D C -0.676 175.627 176.300 0.006 0.000 1.119 173 D CA 1.151 55.152 54.000 0.002 0.000 0.850 173 D CB 0.254 41.020 40.800 -0.056 0.000 1.169 173 D HN 0.127 nan 8.370 nan 0.000 0.489 174 F N 3.797 123.596 119.950 -0.251 0.000 2.382 174 F HA 0.273 4.800 4.527 -0.000 0.000 0.361 174 F C -1.199 174.424 175.800 -0.295 0.000 1.109 174 F CA -1.352 56.529 58.000 -0.197 0.000 1.031 174 F CB -0.058 38.838 39.000 -0.173 0.000 1.234 174 F HN 0.169 nan 8.300 nan 0.000 0.445 175 Y N 5.682 126.175 120.300 0.321 0.000 2.310 175 Y HA 0.594 5.144 4.550 -0.000 0.000 0.326 175 Y C 0.343 176.222 175.900 -0.036 0.000 1.151 175 Y CA -0.289 57.852 58.100 0.069 0.000 1.195 175 Y CB 1.508 40.009 38.460 0.068 0.000 1.210 175 Y HN 0.475 nan 8.280 nan 0.000 0.483 176 M N 1.665 121.265 119.600 -0.000 0.000 2.550 176 M HA 0.400 4.880 4.480 -0.000 0.000 0.292 176 M C -0.673 175.609 176.300 -0.030 0.000 1.221 176 M CA -0.790 54.446 55.300 -0.106 0.000 0.873 176 M CB 2.507 34.911 32.600 -0.325 0.000 1.727 176 M HN 0.713 nan 8.290 nan 0.000 0.459 177 S N 0.562 116.244 115.700 -0.030 0.000 2.693 177 S HA 0.627 5.097 4.470 -0.000 0.000 0.276 177 S C 0.910 175.485 174.600 -0.041 0.000 1.192 177 S CA -0.248 57.940 58.200 -0.020 0.000 0.994 177 S CB 1.402 64.592 63.200 -0.016 0.000 1.012 177 S HN 0.790 nan 8.310 nan 0.000 0.550 178 A N 0.827 123.622 122.820 -0.043 0.000 1.940 178 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 178 A C 2.151 179.714 177.584 -0.034 0.000 1.176 178 A CA 1.815 53.828 52.037 -0.039 0.000 0.631 178 A CB -0.848 18.125 19.000 -0.046 0.000 0.814 178 A HN 0.895 nan 8.150 nan 0.000 0.446 179 K N -0.346 120.032 120.400 -0.038 0.000 2.025 179 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 179 K C 1.966 178.560 176.600 -0.010 0.000 1.049 179 K CA 1.497 57.771 56.287 -0.022 0.000 0.933 179 K CB -0.154 32.332 32.500 -0.024 0.000 0.714 179 K HN 0.642 nan 8.250 nan 0.000 0.438 180 E N 0.208 120.398 120.200 -0.017 0.000 2.110 180 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 180 E C 1.977 178.563 176.600 -0.024 0.000 0.988 180 E CA 0.968 57.359 56.400 -0.014 0.000 0.804 180 E CB -0.146 29.532 29.700 -0.037 0.000 0.745 180 E HN 0.364 nan 8.360 nan 0.000 0.458 181 A N 2.623 125.407 122.820 -0.060 0.000 1.849 181 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 181 A C 2.169 179.764 177.584 0.019 0.000 1.202 181 A CA 1.834 53.836 52.037 -0.059 0.000 0.629 181 A CB -0.546 18.411 19.000 -0.072 0.000 0.834 181 A HN 0.041 nan 8.150 nan 0.000 0.447 182 K N 0.450 120.855 120.400 0.008 0.000 2.113 182 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 182 K C 1.381 177.998 176.600 0.029 0.000 1.047 182 K CA 2.076 58.371 56.287 0.014 0.000 0.928 182 K CB -0.355 32.152 32.500 0.012 0.000 0.716 182 K HN 0.676 nan 8.250 nan 0.000 0.446 183 E N -1.094 119.131 120.200 0.043 0.000 2.511 183 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 183 E C 0.858 177.516 176.600 0.098 0.000 1.066 183 E CA 0.122 56.553 56.400 0.053 0.000 0.871 183 E CB -0.005 29.725 29.700 0.050 0.000 0.863 183 E HN 0.327 nan 8.360 nan 0.000 0.520 184 Y N -0.475 119.798 120.300 -0.046 0.000 2.498 184 Y HA 0.228 4.778 4.550 -0.000 0.000 0.259 184 Y C 1.541 177.414 175.900 -0.045 0.000 1.086 184 Y CA 0.930 59.001 58.100 -0.048 0.000 1.287 184 Y CB 1.141 39.540 38.460 -0.102 0.000 1.146 184 Y HN 0.041 nan 8.280 nan 0.000 0.523 185 G N -0.110 108.704 108.800 0.023 0.000 2.201 185 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.212 185 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.212 185 G C 1.018 175.907 174.900 -0.019 0.000 0.994 185 G CA 0.316 45.389 45.100 -0.044 0.000 0.644 185 G HN 0.324 nan 8.290 nan 0.000 0.508 186 L N 0.600 121.851 121.223 0.047 0.000 2.083 186 L HA 0.230 4.570 4.340 -0.000 0.000 0.209 186 L C 1.758 178.597 176.870 -0.052 0.000 1.083 186 L CA 1.773 56.617 54.840 0.006 0.000 0.752 186 L CB -0.434 41.638 42.059 0.022 0.000 0.899 186 L HN 0.643 nan 8.230 nan 0.000 0.433 187 I N -5.702 114.842 120.570 -0.044 0.000 3.002 187 I HA 0.361 4.531 4.170 -0.000 0.000 0.310 187 I C -0.101 175.981 176.117 -0.059 0.000 1.087 187 I CA -0.872 60.385 61.300 -0.072 0.000 1.017 187 I CB 1.917 39.887 38.000 -0.050 0.000 1.226 187 I HN -0.203 nan 8.210 nan 0.000 0.443 188 D N 1.427 121.773 120.400 -0.089 0.000 2.355 188 D HA 0.067 4.707 4.640 -0.000 0.000 0.233 188 D C 0.192 176.517 176.300 0.042 0.000 0.997 188 D CA 1.166 55.136 54.000 -0.051 0.000 0.920 188 D CB 0.382 41.109 40.800 -0.122 0.000 1.063 188 D HN 0.490 nan 8.370 nan 0.000 0.465 189 K N 0.478 120.970 120.400 0.153 0.000 2.340 189 K HA 0.446 4.766 4.320 -0.000 0.000 0.244 189 K C -1.411 175.315 176.600 0.210 0.000 0.973 189 K CA -0.547 55.867 56.287 0.213 0.000 0.828 189 K CB 2.747 35.431 32.500 0.306 0.000 1.226 189 K HN -0.280 nan 8.250 nan 0.000 0.437 190 V N 4.509 124.483 119.914 0.100 0.000 2.259 190 V HA 0.180 4.300 4.120 -0.000 0.000 0.267 190 V C -0.389 175.712 176.094 0.012 0.000 1.051 190 V CA -0.796 61.537 62.300 0.054 0.000 0.830 190 V CB 0.672 32.503 31.823 0.012 0.000 1.080 190 V HN 0.648 nan 8.190 nan 0.000 0.467 191 L N 6.427 127.644 121.223 -0.011 0.000 2.694 191 L HA 0.056 4.396 4.340 -0.000 0.000 0.287 191 L C 0.821 177.674 176.870 -0.028 0.000 1.249 191 L CA 0.986 55.781 54.840 -0.076 0.000 1.177 191 L CB -1.055 40.925 42.059 -0.132 0.000 1.435 191 L HN 0.827 nan 8.230 nan 0.000 0.440 192 Q N 0.000 119.786 119.800 -0.023 0.000 2.315 192 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 192 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 192 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 192 Q HN 0.000 nan 8.270 nan 0.000 0.481