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 1w30_1_B DATA FIRST_RESID 12 DATA SEQUENCE ESRELMSAAN VGRTISRIAH QIIEKTALDD PVGPDAPRVV LLGIPTRGVT DATA SEQUENCE LANRLAGNIT EYSGIHVGHG ALDITLYRDX XXXXPPRPLA STSIPAGGID DATA SEQUENCE DALVILVDDV LYSGRSVRSA LDALRDVGRP RAVQLAVLVD RGHRELPLRA DATA SEQUENCE DYVGKNVPTS RSESVHVRLR EHDGRDGVVI SR 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.612 176.600 0.020 0.000 1.382 12 E CA 0.000 56.408 56.400 0.013 0.000 0.976 12 E CB 0.000 29.703 29.700 0.005 0.000 0.812 13 S N 0.127 115.835 115.700 0.014 0.000 2.541 13 S HA 0.664 5.134 4.470 -0.000 0.000 0.280 13 S C -1.454 173.155 174.600 0.016 0.000 1.112 13 S CA -0.932 57.280 58.200 0.019 0.000 0.925 13 S CB 1.743 64.944 63.200 0.001 0.000 1.067 13 S HN 0.377 nan 8.310 nan 0.000 0.479 14 R N 0.900 121.413 120.500 0.022 0.000 2.771 14 R HA 0.513 4.853 4.340 -0.000 0.000 0.274 14 R C -1.214 175.098 176.300 0.020 0.000 0.987 14 R CA -0.883 55.227 56.100 0.016 0.000 0.908 14 R CB 1.538 31.845 30.300 0.013 0.000 1.213 14 R HN 0.626 nan 8.270 nan 0.000 0.468 15 E N 1.761 121.969 120.200 0.014 0.000 2.217 15 E HA 0.022 4.372 4.350 -0.000 0.000 0.279 15 E C 0.103 176.711 176.600 0.014 0.000 1.068 15 E CA -0.266 56.143 56.400 0.016 0.000 0.882 15 E CB 0.886 30.593 29.700 0.011 0.000 1.039 15 E HN 0.547 nan 8.360 nan 0.000 0.418 16 L N 4.791 126.023 121.223 0.016 0.000 2.127 16 L HA 0.152 4.491 4.340 -0.000 0.000 0.203 16 L C 0.368 177.244 176.870 0.010 0.000 1.080 16 L CA 1.300 56.146 54.840 0.011 0.000 0.768 16 L CB 0.266 42.331 42.059 0.009 0.000 0.924 16 L HN 0.656 nan 8.230 nan 0.000 0.444 17 M N -1.109 118.499 119.600 0.013 0.000 2.267 17 M HA 0.278 4.758 4.480 -0.000 0.000 0.289 17 M C -0.104 176.205 176.300 0.015 0.000 1.043 17 M CA -0.441 54.867 55.300 0.013 0.000 0.928 17 M CB 2.126 34.734 32.600 0.014 0.000 1.613 17 M HN 0.019 nan 8.290 nan 0.000 0.450 18 S N 1.758 117.465 115.700 0.012 0.000 2.624 18 S HA 0.540 5.009 4.470 -0.000 0.000 0.263 18 S C 1.197 175.805 174.600 0.014 0.000 1.287 18 S CA -0.021 58.186 58.200 0.012 0.000 0.990 18 S CB 1.247 64.452 63.200 0.009 0.000 0.950 18 S HN 0.791 nan 8.310 nan 0.000 0.561 19 A N 1.497 124.325 122.820 0.014 0.000 1.908 19 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 19 A C 2.451 180.045 177.584 0.017 0.000 1.181 19 A CA 2.028 54.075 52.037 0.016 0.000 0.627 19 A CB -1.805 17.203 19.000 0.015 0.000 0.818 19 A HN 1.395 nan 8.150 nan 0.000 0.445 20 A N 0.415 123.243 122.820 0.014 0.000 1.883 20 A HA -0.265 4.054 4.320 -0.000 0.000 0.217 20 A C 1.900 179.493 177.584 0.015 0.000 1.186 20 A CA 1.888 53.934 52.037 0.014 0.000 0.624 20 A CB -0.985 18.021 19.000 0.010 0.000 0.822 20 A HN 0.746 nan 8.150 nan 0.000 0.444 21 N N -0.290 118.417 118.700 0.013 0.000 2.120 21 N HA -0.107 4.632 4.740 -0.000 0.000 0.188 21 N C 1.576 177.097 175.510 0.017 0.000 1.024 21 N CA 1.291 54.348 53.050 0.012 0.000 0.852 21 N CB -0.274 38.219 38.487 0.010 0.000 1.003 21 N HN 0.278 nan 8.380 nan 0.000 0.424 22 V N 0.958 120.884 119.914 0.020 0.000 2.255 22 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 22 V C 2.493 178.604 176.094 0.029 0.000 1.051 22 V CA 2.191 64.505 62.300 0.023 0.000 1.018 22 V CB -1.259 30.578 31.823 0.023 0.000 0.641 22 V HN 0.444 nan 8.190 nan 0.000 0.445 23 G N -0.568 108.251 108.800 0.031 0.000 2.422 23 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.218 23 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.218 23 G C 1.716 176.651 174.900 0.058 0.000 1.146 23 G CA 1.056 46.182 45.100 0.043 0.000 0.769 23 G HN 0.428 nan 8.290 nan 0.000 0.547 24 R N -0.160 120.365 120.500 0.042 0.000 2.066 24 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 24 R C 2.791 179.113 176.300 0.037 0.000 1.131 24 R CA 1.923 58.044 56.100 0.035 0.000 0.955 24 R CB -0.748 29.558 30.300 0.010 0.000 0.851 24 R HN 0.276 nan 8.270 nan 0.000 0.432 25 T N 0.764 115.337 114.554 0.032 0.000 2.720 25 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 25 T C 1.742 176.474 174.700 0.053 0.000 1.037 25 T CA 1.621 63.742 62.100 0.034 0.000 1.144 25 T CB -0.179 68.705 68.868 0.027 0.000 0.864 25 T HN 0.172 nan 8.240 nan 0.000 0.444 26 I N 1.061 121.664 120.570 0.055 0.000 2.226 26 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 26 I C 2.672 178.858 176.117 0.115 0.000 1.100 26 I CA 0.973 62.309 61.300 0.060 0.000 1.374 26 I CB -0.357 37.666 38.000 0.038 0.000 1.057 26 I HN 0.190 nan 8.210 nan 0.000 0.413 27 S N 0.404 116.207 115.700 0.172 0.000 2.370 27 S HA -0.204 4.265 4.470 -0.000 0.000 0.226 27 S C 2.115 176.909 174.600 0.322 0.000 1.033 27 S CA 1.115 59.521 58.200 0.344 0.000 1.011 27 S CB -0.372 63.016 63.200 0.313 0.000 0.852 27 S HN 0.368 nan 8.310 nan 0.000 0.457 28 R N 1.289 121.874 120.500 0.141 0.000 2.081 28 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 28 R C 2.088 178.473 176.300 0.140 0.000 1.131 28 R CA 1.353 57.501 56.100 0.079 0.000 0.960 28 R CB -0.696 29.608 30.300 0.006 0.000 0.856 28 R HN 0.446 nan 8.270 nan 0.000 0.436 29 I N 0.842 121.477 120.570 0.108 0.000 2.286 29 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 29 I C 2.603 178.727 176.117 0.012 0.000 1.115 29 I CA 1.233 62.574 61.300 0.067 0.000 1.392 29 I CB -0.405 37.613 38.000 0.029 0.000 1.065 29 I HN 0.185 nan 8.210 nan 0.000 0.418 30 A N 0.303 123.159 122.820 0.060 0.000 1.908 30 A HA -0.274 4.045 4.320 -0.000 0.000 0.218 30 A C 2.056 179.649 177.584 0.015 0.000 1.181 30 A CA 1.905 53.952 52.037 0.017 0.000 0.627 30 A CB -1.009 18.047 19.000 0.094 0.000 0.818 30 A HN 0.416 nan 8.150 nan 0.000 0.445 31 H N -0.519 118.580 119.070 0.050 0.000 2.319 31 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 31 H C 2.317 177.663 175.328 0.029 0.000 1.092 31 H CA 2.093 58.154 56.048 0.022 0.000 1.302 31 H CB -0.171 29.577 29.762 -0.023 0.000 1.373 31 H HN 0.620 nan 8.280 nan 0.000 0.497 32 Q N -0.179 119.730 119.800 0.182 0.000 2.124 32 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 32 Q C 2.305 178.424 176.000 0.197 0.000 0.977 32 Q CA 1.342 57.266 55.803 0.202 0.000 0.850 32 Q CB -0.023 28.893 28.738 0.297 0.000 0.901 32 Q HN 0.513 nan 8.270 nan 0.000 0.429 33 I N 0.359 120.907 120.570 -0.037 0.000 2.179 33 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 33 I C 2.130 178.243 176.117 -0.006 0.000 1.088 33 I CA 1.080 62.276 61.300 -0.173 0.000 1.357 33 I CB -0.233 37.532 38.000 -0.392 0.000 1.051 33 I HN 0.210 nan 8.210 nan 0.000 0.409 34 I N 0.766 121.324 120.570 -0.020 0.000 2.185 34 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 34 I C 2.447 178.584 176.117 0.034 0.000 1.088 34 I CA 1.694 62.990 61.300 -0.006 0.000 1.347 34 I CB -0.400 37.577 38.000 -0.039 0.000 1.041 34 I HN 0.279 nan 8.210 nan 0.000 0.415 35 E N 0.534 120.775 120.200 0.068 0.000 2.015 35 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 35 E C 2.181 178.829 176.600 0.080 0.000 0.991 35 E CA 1.218 57.661 56.400 0.073 0.000 0.802 35 E CB -0.161 29.591 29.700 0.086 0.000 0.759 35 E HN 0.348 nan 8.360 nan 0.000 0.447 36 K N 0.513 120.989 120.400 0.127 0.000 2.211 36 K HA -0.104 4.215 4.320 -0.000 0.000 0.203 36 K C 1.904 178.565 176.600 0.101 0.000 1.050 36 K CA 1.692 58.052 56.287 0.122 0.000 0.945 36 K CB 0.099 32.711 32.500 0.186 0.000 0.732 36 K HN 0.203 nan 8.250 nan 0.000 0.451 37 T N -3.770 110.844 114.554 0.100 0.000 3.023 37 T HA 0.382 4.731 4.350 -0.000 0.000 0.253 37 T C 0.600 175.325 174.700 0.041 0.000 1.038 37 T CA 0.237 62.378 62.100 0.069 0.000 0.962 37 T CB 0.589 69.497 68.868 0.067 0.000 1.018 37 T HN 0.220 nan 8.240 nan 0.000 0.521 38 A N 0.465 123.307 122.820 0.036 0.000 3.232 38 A HA -0.084 4.236 4.320 -0.000 0.000 0.238 38 A C 1.098 178.690 177.584 0.013 0.000 1.344 38 A CA 0.654 52.705 52.037 0.024 0.000 0.875 38 A CB -2.726 16.288 19.000 0.022 0.000 1.070 38 A HN 0.416 nan 8.150 nan 0.000 0.653 39 L N 0.250 121.478 121.223 0.007 0.000 2.131 39 L HA -0.084 4.255 4.340 -0.000 0.000 0.210 39 L C 2.010 178.875 176.870 -0.008 0.000 1.092 39 L CA 2.372 57.209 54.840 -0.005 0.000 0.759 39 L CB -0.695 41.353 42.059 -0.019 0.000 0.903 39 L HN 0.544 nan 8.230 nan 0.000 0.435 40 D N -0.478 119.919 120.400 -0.005 0.000 2.312 40 D HA -0.063 4.577 4.640 -0.000 0.000 0.211 40 D C 0.480 176.780 176.300 0.001 0.000 0.964 40 D CA 0.482 54.479 54.000 -0.004 0.000 0.877 40 D CB 0.001 40.801 40.800 0.000 0.000 0.924 40 D HN 0.512 nan 8.370 nan 0.000 0.515 41 D N -0.893 119.510 120.400 0.004 0.000 2.326 41 D HA 0.184 4.824 4.640 -0.000 0.000 0.251 41 D C -2.198 174.105 176.300 0.005 0.000 1.023 41 D CA -1.861 52.142 54.000 0.006 0.000 0.966 41 D CB 0.609 41.414 40.800 0.008 0.000 1.156 41 D HN -0.281 nan 8.370 nan 0.000 0.494 42 P HA 0.085 nan 4.420 nan 0.000 0.261 42 P C -0.567 176.737 177.300 0.007 0.000 1.297 42 P CA 0.113 63.217 63.100 0.006 0.000 0.757 42 P CB -0.018 31.685 31.700 0.005 0.000 1.149 43 V N -1.496 118.423 119.914 0.008 0.000 3.411 43 V HA -0.109 4.011 4.120 -0.000 0.000 0.484 43 V C 0.853 176.952 176.094 0.009 0.000 0.682 43 V CA 0.261 62.567 62.300 0.009 0.000 2.023 43 V CB -0.964 30.865 31.823 0.010 0.000 2.468 43 V HN 0.439 nan 8.190 nan 0.000 0.502 44 G N 6.517 115.323 108.800 0.010 0.000 2.616 44 G HA2 0.542 4.502 3.960 -0.000 0.000 0.268 44 G HA3 0.542 4.502 3.960 -0.000 0.000 0.268 44 G C -1.020 173.885 174.900 0.008 0.000 1.213 44 G CA -0.201 44.904 45.100 0.009 0.000 0.926 44 G HN 0.642 nan 8.290 nan 0.000 0.523 45 P HA -0.014 nan 4.420 nan 0.000 0.216 45 P C 0.311 177.615 177.300 0.007 0.000 1.150 45 P CA 1.284 64.388 63.100 0.007 0.000 0.837 45 P CB 0.396 32.100 31.700 0.006 0.000 0.786 46 D N -1.157 119.248 120.400 0.007 0.000 2.656 46 D HA 0.435 5.074 4.640 -0.000 0.000 0.303 46 D C -1.044 175.262 176.300 0.009 0.000 1.199 46 D CA -0.420 53.584 54.000 0.008 0.000 0.797 46 D CB -0.291 40.513 40.800 0.007 0.000 1.170 46 D HN -0.066 nan 8.370 nan 0.000 0.509 47 A N 2.094 124.920 122.820 0.011 0.000 2.290 47 A HA 0.717 5.037 4.320 -0.000 0.000 0.310 47 A C -2.313 175.279 177.584 0.014 0.000 1.202 47 A CA -1.120 50.924 52.037 0.013 0.000 0.837 47 A CB 0.596 19.605 19.000 0.014 0.000 1.139 47 A HN 0.256 nan 8.150 nan 0.000 0.509 48 P HA 0.320 nan 4.420 nan 0.000 0.284 48 P C -0.381 176.930 177.300 0.018 0.000 1.253 48 P CA -0.579 62.530 63.100 0.016 0.000 0.800 48 P CB 0.781 32.491 31.700 0.017 0.000 0.961 49 R N 1.307 121.818 120.500 0.017 0.000 2.784 49 R HA 0.304 4.644 4.340 -0.000 0.000 0.266 49 R C -0.847 175.466 176.300 0.022 0.000 1.044 49 R CA -0.472 55.639 56.100 0.019 0.000 1.151 49 R CB -0.229 30.082 30.300 0.018 0.000 1.037 49 R HN 0.200 nan 8.270 nan 0.000 0.478 50 V N 2.659 122.587 119.914 0.024 0.000 2.398 50 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 50 V C -0.285 175.826 176.094 0.029 0.000 1.026 50 V CA -0.720 61.595 62.300 0.025 0.000 0.868 50 V CB 1.704 33.538 31.823 0.019 0.000 0.982 50 V HN 0.579 nan 8.190 nan 0.000 0.443 51 V N 6.247 126.178 119.914 0.029 0.000 2.531 51 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 51 V C -0.341 175.776 176.094 0.038 0.000 1.034 51 V CA -0.584 61.738 62.300 0.037 0.000 0.865 51 V CB 1.926 33.764 31.823 0.025 0.000 0.995 51 V HN 0.633 nan 8.190 nan 0.000 0.424 52 L N 5.775 127.034 121.223 0.060 0.000 2.275 52 L HA 0.602 4.941 4.340 -0.000 0.000 0.288 52 L C -0.741 176.167 176.870 0.064 0.000 1.046 52 L CA -0.372 54.498 54.840 0.050 0.000 0.805 52 L CB 1.199 43.280 42.059 0.037 0.000 1.193 52 L HN 0.412 nan 8.230 nan 0.000 0.426 53 L N 3.226 124.471 121.223 0.036 0.000 2.372 53 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 53 L C 0.493 177.374 176.870 0.019 0.000 0.989 53 L CA -0.490 54.366 54.840 0.027 0.000 0.841 53 L CB 1.818 43.882 42.059 0.008 0.000 1.225 53 L HN 0.661 nan 8.230 nan 0.000 0.414 54 G N 3.640 112.455 108.800 0.025 0.000 2.467 54 G HA2 0.518 4.477 3.960 -0.000 0.000 0.257 54 G HA3 0.518 4.477 3.960 -0.000 0.000 0.257 54 G C -0.263 174.639 174.900 0.004 0.000 1.227 54 G CA -0.465 44.643 45.100 0.014 0.000 0.835 54 G HN 0.490 nan 8.290 nan 0.000 0.556 55 I N 3.297 123.865 120.570 -0.003 0.000 2.352 55 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 55 I C -1.872 174.238 176.117 -0.012 0.000 1.036 55 I CA -1.760 59.536 61.300 -0.006 0.000 1.336 55 I CB 1.819 39.816 38.000 -0.005 0.000 1.407 55 I HN 0.233 nan 8.210 nan 0.000 0.497 56 P HA -0.020 nan 4.420 nan 0.000 0.266 56 P C 0.660 177.940 177.300 -0.034 0.000 1.193 56 P CA 0.138 63.230 63.100 -0.014 0.000 0.770 56 P CB 0.585 32.291 31.700 0.009 0.000 0.836 57 T N -0.175 114.328 114.554 -0.085 0.000 3.021 57 T HA 0.059 4.409 4.350 -0.000 0.000 0.245 57 T C 1.542 176.105 174.700 -0.228 0.000 1.028 57 T CA 0.308 62.329 62.100 -0.132 0.000 1.139 57 T CB -0.232 68.556 68.868 -0.132 0.000 0.884 57 T HN 0.189 nan 8.240 nan 0.000 0.457 58 R N 1.168 121.485 120.500 -0.306 0.000 2.148 58 R HA 0.090 4.430 4.340 -0.000 0.000 0.227 58 R C 2.833 179.075 176.300 -0.098 0.000 1.103 58 R CA 1.092 57.046 56.100 -0.242 0.000 0.983 58 R CB -0.793 29.386 30.300 -0.202 0.000 0.874 58 R HN 0.561 nan 8.270 nan 0.000 0.451 59 G N 0.653 109.413 108.800 -0.067 0.000 2.442 59 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.219 59 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.219 59 G C 1.429 176.319 174.900 -0.018 0.000 1.141 59 G CA 0.735 45.817 45.100 -0.030 0.000 0.763 59 G HN 0.140 nan 8.290 nan 0.000 0.554 60 V N 0.690 120.593 119.914 -0.019 0.000 2.407 60 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 60 V C 3.112 179.215 176.094 0.015 0.000 1.041 60 V CA 2.184 64.491 62.300 0.011 0.000 1.040 60 V CB -0.785 31.050 31.823 0.021 0.000 0.671 60 V HN 0.371 nan 8.190 nan 0.000 0.455 61 T N 0.801 115.354 114.554 -0.002 0.000 2.684 61 T HA -0.226 4.123 4.350 -0.000 0.000 0.267 61 T C 1.907 176.605 174.700 -0.004 0.000 1.036 61 T CA 1.986 64.094 62.100 0.014 0.000 1.148 61 T CB -0.374 68.507 68.868 0.022 0.000 0.863 61 T HN 0.274 nan 8.240 nan 0.000 0.436 62 L N 1.425 122.640 121.223 -0.014 0.000 2.017 62 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 62 L C 2.650 179.497 176.870 -0.037 0.000 1.073 62 L CA 1.940 56.767 54.840 -0.021 0.000 0.745 62 L CB -1.176 40.874 42.059 -0.016 0.000 0.894 62 L HN 0.236 nan 8.230 nan 0.000 0.432 63 A N -0.435 122.369 122.820 -0.028 0.000 1.908 63 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 63 A C 2.091 179.609 177.584 -0.109 0.000 1.181 63 A CA 1.992 54.005 52.037 -0.040 0.000 0.627 63 A CB -0.809 18.200 19.000 0.016 0.000 0.818 63 A HN 0.614 nan 8.150 nan 0.000 0.445 64 N N -0.341 118.309 118.700 -0.082 0.000 2.084 64 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 64 N C 1.845 177.240 175.510 -0.192 0.000 1.030 64 N CA 1.129 54.076 53.050 -0.171 0.000 0.849 64 N CB -0.447 38.025 38.487 -0.026 0.000 1.012 64 N HN 0.417 nan 8.380 nan 0.000 0.423 65 R N 0.703 121.137 120.500 -0.111 0.000 2.081 65 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 65 R C 2.290 178.513 176.300 -0.129 0.000 1.131 65 R CA 0.665 56.706 56.100 -0.099 0.000 0.960 65 R CB -0.667 29.600 30.300 -0.055 0.000 0.856 65 R HN 0.283 nan 8.270 nan 0.000 0.436 66 L N 0.046 121.193 121.223 -0.126 0.000 2.017 66 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 66 L C 2.733 179.495 176.870 -0.180 0.000 1.073 66 L CA 1.303 56.063 54.840 -0.133 0.000 0.745 66 L CB -0.656 41.331 42.059 -0.120 0.000 0.894 66 L HN 0.179 nan 8.230 nan 0.000 0.432 67 A N 0.271 122.949 122.820 -0.236 0.000 1.917 67 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 67 A C 2.333 179.781 177.584 -0.228 0.000 1.182 67 A CA 2.013 53.888 52.037 -0.271 0.000 0.633 67 A CB -1.263 17.398 19.000 -0.565 0.000 0.819 67 A HN 0.472 nan 8.150 nan 0.000 0.448 68 G N -1.210 107.450 108.800 -0.233 0.000 2.511 68 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 68 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 68 G C 1.362 176.096 174.900 -0.277 0.000 1.133 68 G CA 0.771 45.751 45.100 -0.200 0.000 0.792 68 G HN 0.677 nan 8.290 nan 0.000 0.539 69 N N -0.006 118.505 118.700 -0.316 0.000 2.250 69 N HA 0.057 4.797 4.740 -0.000 0.000 0.181 69 N C 2.043 177.202 175.510 -0.586 0.000 1.017 69 N CA 0.217 52.934 53.050 -0.555 0.000 0.866 69 N CB -0.014 38.271 38.487 -0.338 0.000 0.985 69 N HN 0.224 nan 8.380 nan 0.000 0.429 70 I N 0.224 120.617 120.570 -0.296 0.000 2.361 70 I HA -0.227 3.942 4.170 -0.000 0.000 0.251 70 I C 2.416 178.405 176.117 -0.213 0.000 1.133 70 I CA 1.022 62.203 61.300 -0.197 0.000 1.413 70 I CB -0.123 37.790 38.000 -0.146 0.000 1.073 70 I HN 0.153 nan 8.210 nan 0.000 0.424 71 T N -0.535 113.865 114.554 -0.258 0.000 2.939 71 T HA -0.131 4.218 4.350 -0.000 0.000 0.254 71 T C 1.842 176.396 174.700 -0.243 0.000 1.041 71 T CA 0.923 62.857 62.100 -0.277 0.000 1.142 71 T CB -0.011 68.643 68.868 -0.358 0.000 0.874 71 T HN 0.328 nan 8.240 nan 0.000 0.452 72 E N -0.648 119.372 120.200 -0.299 0.000 2.097 72 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 72 E C 1.630 178.149 176.600 -0.135 0.000 1.000 72 E CA 1.481 57.718 56.400 -0.272 0.000 0.804 72 E CB -0.105 29.343 29.700 -0.421 0.000 0.740 72 E HN 0.587 nan 8.360 nan 0.000 0.454 73 Y N -0.335 119.897 120.300 -0.113 0.000 2.365 73 Y HA 0.025 4.575 4.550 -0.000 0.000 0.293 73 Y C 2.445 178.266 175.900 -0.133 0.000 1.119 73 Y CA 1.082 59.102 58.100 -0.134 0.000 1.203 73 Y CB -0.046 38.259 38.460 -0.258 0.000 1.026 73 Y HN 0.114 nan 8.280 nan 0.000 0.549 74 S N -1.964 113.733 115.700 -0.005 0.000 2.780 74 S HA 0.399 4.869 4.470 -0.000 0.000 0.248 74 S C 1.671 176.226 174.600 -0.076 0.000 1.036 74 S CA 0.286 58.462 58.200 -0.040 0.000 1.061 74 S CB 0.048 63.215 63.200 -0.055 0.000 1.037 74 S HN 0.520 nan 8.310 nan 0.000 0.584 75 G N 2.164 110.898 108.800 -0.110 0.000 2.343 75 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.264 75 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.264 75 G C 0.227 174.970 174.900 -0.262 0.000 0.989 75 G CA 0.859 45.865 45.100 -0.156 0.000 0.627 75 G HN 1.228 nan 8.290 nan 0.000 0.549 76 I N -1.281 119.158 120.570 -0.218 0.000 2.677 76 I HA 0.753 4.923 4.170 -0.000 0.000 0.305 76 I C -0.008 175.945 176.117 -0.273 0.000 0.988 76 I CA -1.221 59.960 61.300 -0.199 0.000 1.260 76 I CB 1.040 38.997 38.000 -0.071 0.000 1.410 76 I HN 0.107 nan 8.210 nan 0.000 0.523 77 H N 4.758 123.821 119.070 -0.012 0.000 2.551 77 H HA 0.497 5.053 4.556 -0.000 0.000 0.321 77 H C -0.571 174.765 175.328 0.015 0.000 1.028 77 H CA -0.716 55.333 56.048 0.001 0.000 1.215 77 H CB 1.574 31.343 29.762 0.012 0.000 1.414 77 H HN 0.592 nan 8.280 nan 0.000 0.480 78 V N 1.654 121.647 119.914 0.132 0.000 2.532 78 V HA 0.667 4.787 4.120 -0.000 0.000 0.295 78 V C 0.926 177.121 176.094 0.169 0.000 1.041 78 V CA -0.937 61.425 62.300 0.103 0.000 0.926 78 V CB 1.452 33.300 31.823 0.042 0.000 0.992 78 V HN 0.838 nan 8.190 nan 0.000 0.457 79 G N 3.378 112.245 108.800 0.113 0.000 2.353 79 G HA2 0.415 4.375 3.960 -0.000 0.000 0.239 79 G HA3 0.415 4.375 3.960 -0.000 0.000 0.239 79 G C -0.307 174.683 174.900 0.151 0.000 1.295 79 G CA 0.625 45.775 45.100 0.083 0.000 0.884 79 G HN 1.682 nan 8.290 nan 0.000 0.537 80 H N -0.482 118.586 119.070 -0.002 0.000 3.008 80 H HA 0.829 5.384 4.556 -0.000 0.000 0.354 80 H C 0.205 175.529 175.328 -0.007 0.000 1.252 80 H CA -0.650 55.394 56.048 -0.007 0.000 1.117 80 H CB 1.705 31.462 29.762 -0.009 0.000 1.857 80 H HN 0.903 nan 8.280 nan 0.000 0.547 81 G N -0.431 108.382 108.800 0.023 0.000 2.510 81 G HA2 0.626 4.586 3.960 -0.000 0.000 0.277 81 G HA3 0.626 4.586 3.960 -0.000 0.000 0.277 81 G C -1.728 173.185 174.900 0.023 0.000 1.223 81 G CA -0.513 44.568 45.100 -0.032 0.000 0.887 81 G HN 1.111 nan 8.290 nan 0.000 0.485 82 A N -0.881 121.941 122.820 0.003 0.000 2.422 82 A HA 0.733 5.053 4.320 -0.000 0.000 0.302 82 A C -1.820 175.763 177.584 -0.001 0.000 1.041 82 A CA -0.484 51.559 52.037 0.009 0.000 0.708 82 A CB 1.908 20.915 19.000 0.012 0.000 1.257 82 A HN 1.424 nan 8.150 nan 0.000 0.414 83 L N 2.173 123.393 121.223 -0.005 0.000 2.353 83 L HA 0.460 4.800 4.340 -0.000 0.000 0.270 83 L C -0.519 176.345 176.870 -0.010 0.000 1.003 83 L CA -0.216 54.613 54.840 -0.018 0.000 0.862 83 L CB 1.043 43.077 42.059 -0.041 0.000 1.221 83 L HN 0.774 nan 8.230 nan 0.000 0.430 84 D N 3.145 123.553 120.400 0.014 0.000 2.424 84 D HA 0.168 4.808 4.640 -0.000 0.000 0.244 84 D C 1.113 177.451 176.300 0.063 0.000 1.134 84 D CA 0.369 54.394 54.000 0.041 0.000 0.881 84 D CB 0.772 41.608 40.800 0.060 0.000 1.191 84 D HN 0.573 nan 8.370 nan 0.000 0.445 85 I N -0.233 120.384 120.570 0.079 0.000 4.081 85 I HA 0.166 4.335 4.170 -0.000 0.000 0.333 85 I C 1.159 177.404 176.117 0.214 0.000 1.413 85 I CA -0.511 60.873 61.300 0.140 0.000 1.110 85 I CB 0.356 38.378 38.000 0.037 0.000 1.082 85 I HN 0.181 nan 8.210 nan 0.000 0.402 86 T N 2.288 116.929 114.554 0.146 0.000 2.624 86 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 86 T C 1.777 176.528 174.700 0.085 0.000 1.041 86 T CA 2.117 64.274 62.100 0.095 0.000 1.159 86 T CB -0.381 68.525 68.868 0.064 0.000 0.863 86 T HN 0.403 nan 8.240 nan 0.000 0.434 87 L N -0.672 120.594 121.223 0.072 0.000 2.465 87 L HA 0.004 4.344 4.340 -0.000 0.000 0.224 87 L C 1.511 178.263 176.870 -0.197 0.000 1.145 87 L CA 1.006 55.786 54.840 -0.099 0.000 0.834 87 L CB -0.333 41.594 42.059 -0.219 0.000 0.944 87 L HN 0.359 nan 8.230 nan 0.000 0.451 88 Y N -0.441 119.861 120.300 0.003 0.000 2.458 88 Y HA 0.134 4.683 4.550 -0.001 0.000 0.256 88 Y C 1.440 177.340 175.900 0.001 0.000 1.159 88 Y CA -0.652 57.450 58.100 0.002 0.000 1.261 88 Y CB 0.054 38.516 38.460 0.003 0.000 1.119 88 Y HN 0.187 nan 8.280 nan 0.000 0.524 89 R N -1.041 119.535 120.500 0.126 0.000 2.603 89 R HA 0.538 4.878 4.340 -0.000 0.000 0.231 89 R C -0.790 175.534 176.300 0.040 0.000 1.263 89 R CA -0.738 55.409 56.100 0.079 0.000 1.102 89 R CB 0.392 30.732 30.300 0.065 0.000 1.527 89 R HN -0.083 nan 8.270 nan 0.000 0.554 97 P HA 0.342 nan 4.420 nan 0.000 0.289 97 P C -0.059 177.232 177.300 -0.015 0.000 1.303 97 P CA 0.190 63.282 63.100 -0.013 0.000 0.946 97 P CB 1.716 33.410 31.700 -0.009 0.000 1.454 98 R N 0.190 120.685 120.500 -0.008 0.000 2.752 98 R HA 0.655 4.995 4.340 -0.000 0.000 0.271 98 R C -3.218 173.086 176.300 0.007 0.000 1.026 98 R CA -1.512 54.585 56.100 -0.004 0.000 0.901 98 R CB 0.499 30.799 30.300 0.000 0.000 1.243 98 R HN -0.319 nan 8.270 nan 0.000 0.463 99 P HA 0.204 nan 4.420 nan 0.000 0.282 99 P C 0.008 177.325 177.300 0.029 0.000 1.262 99 P CA -0.439 62.679 63.100 0.030 0.000 0.773 99 P CB 0.744 32.467 31.700 0.039 0.000 0.879 100 L N 1.096 122.339 121.223 0.034 0.000 2.558 100 L HA 0.330 4.669 4.340 -0.000 0.000 0.225 100 L C 1.070 177.961 176.870 0.035 0.000 1.128 100 L CA 0.356 55.216 54.840 0.032 0.000 0.868 100 L CB -0.137 41.943 42.059 0.033 0.000 1.006 100 L HN 0.405 nan 8.230 nan 0.000 0.454 101 A N -1.146 121.696 122.820 0.037 0.000 2.564 101 A HA 0.650 4.970 4.320 -0.000 0.000 0.288 101 A C -0.823 176.781 177.584 0.033 0.000 1.164 101 A CA -0.367 51.691 52.037 0.035 0.000 0.712 101 A CB 1.604 20.625 19.000 0.035 0.000 1.303 101 A HN -0.140 nan 8.150 nan 0.000 0.418 102 S N -0.411 115.305 115.700 0.028 0.000 2.541 102 S HA 0.603 5.073 4.470 -0.000 0.000 0.283 102 S C -0.069 174.543 174.600 0.020 0.000 1.196 102 S CA -0.122 58.092 58.200 0.023 0.000 1.062 102 S CB 0.606 63.816 63.200 0.017 0.000 1.009 102 S HN 0.692 nan 8.310 nan 0.000 0.502 103 T N 3.099 117.665 114.554 0.020 0.000 2.806 103 T HA 0.438 4.788 4.350 -0.000 0.000 0.290 103 T C -0.490 174.211 174.700 0.002 0.000 0.966 103 T CA -0.169 61.939 62.100 0.013 0.000 1.060 103 T CB 1.118 69.999 68.868 0.022 0.000 0.927 103 T HN 0.451 nan 8.240 nan 0.000 0.485 104 S N 4.125 119.820 115.700 -0.008 0.000 2.789 104 S HA 0.506 4.976 4.470 -0.000 0.000 0.286 104 S C -0.883 173.697 174.600 -0.033 0.000 1.153 104 S CA -0.828 57.358 58.200 -0.023 0.000 1.084 104 S CB 0.012 63.194 63.200 -0.029 0.000 1.036 104 S HN 0.459 nan 8.310 nan 0.000 0.484 105 I N 6.163 126.714 120.570 -0.032 0.000 2.336 105 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 105 I C -1.848 174.240 176.117 -0.048 0.000 0.991 105 I CA -2.516 58.764 61.300 -0.034 0.000 1.227 105 I CB 0.680 38.667 38.000 -0.021 0.000 1.366 105 I HN 0.458 nan 8.210 nan 0.000 0.466 106 P HA 0.156 nan 4.420 nan 0.000 0.269 106 P C -0.256 177.017 177.300 -0.045 0.000 1.215 106 P CA -0.421 62.635 63.100 -0.073 0.000 0.780 106 P CB 0.444 32.097 31.700 -0.079 0.000 0.898 107 A N 1.226 124.018 122.820 -0.045 0.000 2.561 107 A HA 0.380 4.699 4.320 -0.000 0.000 0.234 107 A C 1.518 179.090 177.584 -0.021 0.000 1.055 107 A CA 0.844 52.862 52.037 -0.031 0.000 0.756 107 A CB -1.279 17.702 19.000 -0.032 0.000 0.986 107 A HN 0.997 nan 8.150 nan 0.000 0.505 108 G N 0.730 109.521 108.800 -0.015 0.000 2.217 108 G HA2 0.219 4.178 3.960 -0.000 0.000 0.246 108 G HA3 0.219 4.178 3.960 -0.000 0.000 0.246 108 G C 1.745 176.641 174.900 -0.007 0.000 0.990 108 G CA 0.717 45.811 45.100 -0.009 0.000 0.627 108 G HN 3.136 nan 8.290 nan 0.000 0.522 109 G N -0.415 108.379 108.800 -0.010 0.000 2.645 109 G HA2 0.111 4.070 3.960 -0.000 0.000 0.239 109 G HA3 0.111 4.070 3.960 -0.000 0.000 0.239 109 G C 0.515 175.412 174.900 -0.005 0.000 1.331 109 G CA 1.152 46.247 45.100 -0.008 0.000 0.890 109 G HN 1.907 nan 8.290 nan 0.000 0.572 110 I N -3.008 117.560 120.570 -0.003 0.000 4.147 110 I HA 0.435 4.605 4.170 -0.000 0.000 0.329 110 I C -0.007 176.110 176.117 0.001 0.000 1.424 110 I CA -0.716 60.584 61.300 -0.001 0.000 1.127 110 I CB 0.725 38.724 38.000 -0.003 0.000 1.128 110 I HN 0.195 nan 8.210 nan 0.000 0.417 111 D N 2.400 122.800 120.400 0.001 0.000 2.425 111 D HA 0.109 4.749 4.640 -0.000 0.000 0.247 111 D C 0.778 177.080 176.300 0.004 0.000 1.147 111 D CA 1.001 55.002 54.000 0.002 0.000 0.879 111 D CB 0.517 41.319 40.800 0.002 0.000 1.179 111 D HN 0.361 nan 8.370 nan 0.000 0.456 112 D N 0.410 120.813 120.400 0.004 0.000 3.039 112 D HA -0.251 4.389 4.640 -0.000 0.000 0.222 112 D C -0.426 175.879 176.300 0.008 0.000 1.179 112 D CA 1.196 55.199 54.000 0.006 0.000 0.880 112 D CB -0.559 40.244 40.800 0.006 0.000 1.115 112 D HN 0.458 nan 8.370 nan 0.000 0.416 113 A N -0.288 122.537 122.820 0.009 0.000 2.272 113 A HA 0.563 4.882 4.320 -0.000 0.000 0.275 113 A C 0.172 177.765 177.584 0.016 0.000 1.096 113 A CA -0.394 51.651 52.037 0.012 0.000 0.822 113 A CB 0.651 19.658 19.000 0.011 0.000 1.088 113 A HN 0.452 nan 8.150 nan 0.000 0.495 114 L N 2.164 123.400 121.223 0.021 0.000 2.259 114 L HA 0.464 4.804 4.340 -0.000 0.000 0.288 114 L C -1.094 175.794 176.870 0.031 0.000 1.051 114 L CA -0.530 54.328 54.840 0.029 0.000 0.824 114 L CB 0.486 42.567 42.059 0.037 0.000 1.206 114 L HN 0.421 nan 8.230 nan 0.000 0.429 115 V N 6.614 126.545 119.914 0.028 0.000 2.465 115 V HA 0.302 4.422 4.120 -0.000 0.000 0.279 115 V C 0.418 176.537 176.094 0.042 0.000 1.045 115 V CA -0.256 62.060 62.300 0.027 0.000 0.938 115 V CB 1.585 33.417 31.823 0.014 0.000 0.986 115 V HN 0.577 nan 8.190 nan 0.000 0.467 116 I N 6.076 126.672 120.570 0.044 0.000 2.328 116 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 116 I C -0.129 176.012 176.117 0.041 0.000 1.012 116 I CA -0.332 61.005 61.300 0.062 0.000 1.195 116 I CB 1.160 39.190 38.000 0.051 0.000 1.350 116 I HN 0.369 nan 8.210 nan 0.000 0.464 117 L N 6.927 128.175 121.223 0.043 0.000 2.426 117 L HA 0.367 4.707 4.340 -0.000 0.000 0.271 117 L C -0.360 176.531 176.870 0.035 0.000 1.169 117 L CA -0.389 54.467 54.840 0.027 0.000 0.836 117 L CB 0.986 43.056 42.059 0.018 0.000 1.112 117 L HN 0.319 nan 8.230 nan 0.000 0.465 118 V N 1.959 121.885 119.914 0.021 0.000 2.577 118 V HA 0.479 4.599 4.120 -0.000 0.000 0.303 118 V C -0.690 175.411 176.094 0.012 0.000 1.042 118 V CA -0.614 61.697 62.300 0.017 0.000 0.872 118 V CB 1.969 33.793 31.823 0.002 0.000 0.998 118 V HN 0.661 nan 8.190 nan 0.000 0.423 119 D N 1.471 121.880 120.400 0.016 0.000 2.559 119 D HA 0.337 4.977 4.640 -0.000 0.000 0.250 119 D C 0.329 176.633 176.300 0.008 0.000 1.135 119 D CA -0.340 53.665 54.000 0.009 0.000 0.955 119 D CB 2.565 43.374 40.800 0.015 0.000 1.442 119 D HN 0.614 nan 8.370 nan 0.000 0.471 120 D N -0.275 120.124 120.400 -0.002 0.000 2.103 120 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 120 D C 0.388 176.690 176.300 0.004 0.000 0.978 120 D CA 0.994 54.992 54.000 -0.003 0.000 0.829 120 D CB 0.037 40.828 40.800 -0.015 0.000 0.981 120 D HN 0.084 nan 8.370 nan 0.000 0.464 121 V N 0.769 120.688 119.914 0.008 0.000 2.638 121 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 121 V C -0.940 175.181 176.094 0.046 0.000 1.052 121 V CA -1.091 61.216 62.300 0.012 0.000 0.885 121 V CB 2.207 34.022 31.823 -0.014 0.000 0.999 121 V HN 0.138 nan 8.190 nan 0.000 0.424 122 L N 4.987 126.243 121.223 0.054 0.000 2.264 122 L HA 0.482 4.822 4.340 -0.000 0.000 0.287 122 L C -0.388 176.576 176.870 0.156 0.000 1.039 122 L CA 0.336 55.229 54.840 0.087 0.000 0.829 122 L CB 0.619 42.714 42.059 0.060 0.000 1.211 122 L HN 0.700 nan 8.230 nan 0.000 0.427 123 Y N 2.377 122.687 120.300 0.016 0.000 2.610 123 Y HA 0.143 4.692 4.550 -0.000 0.000 0.234 123 Y C 1.988 177.916 175.900 0.048 0.000 1.050 123 Y CA 1.047 59.168 58.100 0.035 0.000 1.381 123 Y CB -0.202 38.277 38.460 0.032 0.000 1.187 123 Y HN 0.652 nan 8.280 nan 0.000 0.495 124 S N -0.749 114.926 115.700 -0.042 0.000 2.439 124 S HA 0.259 4.729 4.470 -0.000 0.000 0.224 124 S C 1.720 176.301 174.600 -0.031 0.000 1.029 124 S CA 0.799 58.917 58.200 -0.137 0.000 0.946 124 S CB 0.077 63.124 63.200 -0.255 0.000 0.797 124 S HN 1.091 nan 8.310 nan 0.000 0.504 125 G N 1.601 110.405 108.800 0.005 0.000 2.195 125 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.246 125 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.246 125 G C 0.970 175.870 174.900 0.000 0.000 0.984 125 G CA 0.276 45.383 45.100 0.011 0.000 0.633 125 G HN 0.487 nan 8.290 nan 0.000 0.525 126 R N 0.686 121.178 120.500 -0.014 0.000 2.115 126 R HA 0.091 4.431 4.340 -0.000 0.000 0.230 126 R C 2.698 179.002 176.300 0.007 0.000 1.111 126 R CA 1.509 57.604 56.100 -0.008 0.000 0.976 126 R CB -0.265 30.021 30.300 -0.023 0.000 0.870 126 R HN 0.394 nan 8.270 nan 0.000 0.445 127 S N 0.178 115.886 115.700 0.013 0.000 2.368 127 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 127 S C 2.029 176.632 174.600 0.006 0.000 1.029 127 S CA 1.042 59.252 58.200 0.018 0.000 0.988 127 S CB -0.014 63.202 63.200 0.026 0.000 0.838 127 S HN 0.070 nan 8.310 nan 0.000 0.462 128 V N 2.178 122.096 119.914 0.007 0.000 2.343 128 V HA -0.119 4.000 4.120 -0.000 0.000 0.247 128 V C 2.649 178.735 176.094 -0.013 0.000 1.051 128 V CA 1.476 63.775 62.300 -0.002 0.000 1.036 128 V CB -0.602 31.226 31.823 0.008 0.000 0.654 128 V HN 0.350 nan 8.190 nan 0.000 0.451 129 R N 0.342 120.839 120.500 -0.005 0.000 2.081 129 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 129 R C 2.438 178.732 176.300 -0.011 0.000 1.131 129 R CA 1.931 58.028 56.100 -0.006 0.000 0.960 129 R CB -0.570 29.732 30.300 0.003 0.000 0.856 129 R HN 0.533 nan 8.270 nan 0.000 0.436 130 S N 0.614 116.314 115.700 0.000 0.000 2.370 130 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 130 S C 1.987 176.505 174.600 -0.138 0.000 1.033 130 S CA 1.393 59.591 58.200 -0.004 0.000 1.011 130 S CB -0.238 62.995 63.200 0.056 0.000 0.852 130 S HN 0.552 nan 8.310 nan 0.000 0.457 131 A N 1.130 123.884 122.820 -0.110 0.000 1.969 131 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 131 A C 2.072 179.562 177.584 -0.156 0.000 1.169 131 A CA 0.851 52.797 52.037 -0.152 0.000 0.635 131 A CB -0.590 18.362 19.000 -0.079 0.000 0.810 131 A HN 0.451 nan 8.150 nan 0.000 0.445 132 L N -0.459 120.705 121.223 -0.099 0.000 2.046 132 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 132 L C 2.052 178.859 176.870 -0.105 0.000 1.077 132 L CA 1.416 56.209 54.840 -0.077 0.000 0.747 132 L CB -0.645 41.391 42.059 -0.039 0.000 0.896 132 L HN 0.313 nan 8.230 nan 0.000 0.432 133 D N 0.255 120.577 120.400 -0.129 0.000 2.097 133 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 133 D C 2.235 178.349 176.300 -0.309 0.000 0.989 133 D CA 1.584 55.513 54.000 -0.119 0.000 0.827 133 D CB -0.033 40.790 40.800 0.039 0.000 0.966 133 D HN 0.307 nan 8.370 nan 0.000 0.456 134 A N 0.769 123.145 122.820 -0.740 0.000 1.933 134 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 134 A C 2.371 179.782 177.584 -0.288 0.000 1.175 134 A CA 0.766 52.295 52.037 -0.846 0.000 0.628 134 A CB -0.746 17.696 19.000 -0.930 0.000 0.814 134 A HN 0.210 nan 8.150 nan 0.000 0.444 135 L N -1.081 120.021 121.223 -0.201 0.000 2.046 135 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 135 L C 2.816 179.650 176.870 -0.059 0.000 1.077 135 L CA 1.733 56.513 54.840 -0.100 0.000 0.747 135 L CB -0.322 41.692 42.059 -0.074 0.000 0.896 135 L HN 0.501 nan 8.230 nan 0.000 0.432 136 R N -0.070 120.396 120.500 -0.056 0.000 2.127 136 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 136 R C 1.569 177.871 176.300 0.004 0.000 1.134 136 R CA 1.783 57.872 56.100 -0.018 0.000 0.975 136 R CB -0.089 30.207 30.300 -0.007 0.000 0.865 136 R HN 0.353 nan 8.270 nan 0.000 0.447 137 D N -0.451 119.957 120.400 0.013 0.000 2.312 137 D HA -0.077 4.563 4.640 -0.000 0.000 0.211 137 D C 1.676 177.994 176.300 0.030 0.000 0.964 137 D CA 0.717 54.747 54.000 0.050 0.000 0.877 137 D CB 0.266 41.143 40.800 0.129 0.000 0.924 137 D HN 0.125 nan 8.370 nan 0.000 0.515 138 V N -0.487 119.430 119.914 0.005 0.000 2.500 138 V HA 0.292 4.411 4.120 -0.000 0.000 0.243 138 V C 1.349 177.444 176.094 0.001 0.000 1.039 138 V CA 1.332 63.633 62.300 0.002 0.000 1.053 138 V CB 0.194 32.010 31.823 -0.011 0.000 0.695 138 V HN 0.292 nan 8.190 nan 0.000 0.463 139 G N -0.901 107.898 108.800 -0.002 0.000 2.427 139 G HA2 0.459 4.419 3.960 -0.000 0.000 0.306 139 G HA3 0.459 4.419 3.960 -0.000 0.000 0.306 139 G C -1.732 173.167 174.900 -0.002 0.000 1.280 139 G CA -0.610 44.489 45.100 -0.001 0.000 0.837 139 G HN -0.112 nan 8.290 nan 0.000 0.482 140 R N 1.431 121.931 120.500 -0.000 0.000 2.443 140 R HA 0.462 4.802 4.340 -0.000 0.000 0.287 140 R C -2.625 173.675 176.300 0.001 0.000 1.425 140 R CA -2.086 54.014 56.100 0.000 0.000 1.300 140 R CB 0.810 31.112 30.300 0.002 0.000 1.129 140 R HN 0.385 nan 8.270 nan 0.000 0.577 141 P HA 0.162 nan 4.420 nan 0.000 0.272 141 P C 0.458 177.761 177.300 0.005 0.000 1.223 141 P CA -0.263 62.838 63.100 0.003 0.000 0.784 141 P CB 1.087 32.788 31.700 0.002 0.000 0.923 142 R N 1.317 121.821 120.500 0.007 0.000 2.092 142 R HA 0.102 4.441 4.340 -0.000 0.000 0.231 142 R C 0.249 176.554 176.300 0.008 0.000 1.119 142 R CA 1.245 57.349 56.100 0.008 0.000 0.970 142 R CB -0.069 30.237 30.300 0.009 0.000 0.864 142 R HN 0.656 nan 8.270 nan 0.000 0.440 143 A N -0.575 122.252 122.820 0.011 0.000 2.612 143 A HA 0.562 4.882 4.320 -0.000 0.000 0.293 143 A C -1.616 175.979 177.584 0.017 0.000 1.075 143 A CA -0.687 51.358 52.037 0.013 0.000 0.680 143 A CB 2.155 21.165 19.000 0.016 0.000 1.279 143 A HN -0.018 nan 8.150 nan 0.000 0.411 144 V N 1.438 121.362 119.914 0.017 0.000 2.623 144 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 144 V C -0.311 175.801 176.094 0.029 0.000 1.054 144 V CA -0.419 61.894 62.300 0.022 0.000 0.882 144 V CB 1.418 33.247 31.823 0.009 0.000 1.002 144 V HN 0.990 nan 8.190 nan 0.000 0.424 145 Q N 2.568 122.401 119.800 0.056 0.000 2.418 145 Q HA 0.827 5.167 4.340 -0.000 0.000 0.276 145 Q C -1.593 174.466 176.000 0.098 0.000 1.081 145 Q CA -1.059 54.790 55.803 0.076 0.000 0.864 145 Q CB 3.051 31.877 28.738 0.148 0.000 1.384 145 Q HN 0.550 nan 8.270 nan 0.000 0.467 146 L N 0.231 121.525 121.223 0.118 0.000 2.438 146 L HA 0.769 5.109 4.340 -0.000 0.000 0.270 146 L C -1.943 175.053 176.870 0.210 0.000 0.972 146 L CA -0.257 54.653 54.840 0.117 0.000 0.831 146 L CB 1.917 44.010 42.059 0.057 0.000 1.273 146 L HN 0.676 nan 8.230 nan 0.000 0.405 147 A N 4.929 127.867 122.820 0.197 0.000 2.318 147 A HA 0.835 5.155 4.320 -0.000 0.000 0.317 147 A C -0.992 176.651 177.584 0.099 0.000 1.159 147 A CA -0.115 52.042 52.037 0.200 0.000 0.799 147 A CB 1.398 20.461 19.000 0.105 0.000 1.194 147 A HN 1.374 nan 8.150 nan 0.000 0.479 148 V N 1.344 121.314 119.914 0.093 0.000 2.962 148 V HA 0.629 4.749 4.120 -0.000 0.000 0.313 148 V C 0.543 176.665 176.094 0.047 0.000 1.099 148 V CA -0.597 61.736 62.300 0.055 0.000 0.971 148 V CB 1.480 33.331 31.823 0.046 0.000 1.028 148 V HN 0.843 nan 8.190 nan 0.000 0.430 149 L N 3.370 124.610 121.223 0.029 0.000 2.044 149 L HA 0.297 4.637 4.340 -0.000 0.000 0.205 149 L C 0.643 177.524 176.870 0.019 0.000 1.075 149 L CA 2.006 56.860 54.840 0.023 0.000 0.747 149 L CB 0.276 42.344 42.059 0.015 0.000 0.903 149 L HN 0.661 nan 8.230 nan 0.000 0.435 150 V N 0.227 120.148 119.914 0.010 0.000 2.531 150 V HA 0.337 4.457 4.120 -0.000 0.000 0.301 150 V C -1.205 174.890 176.094 0.001 0.000 1.034 150 V CA -1.011 61.288 62.300 -0.002 0.000 0.865 150 V CB 1.591 33.402 31.823 -0.020 0.000 0.995 150 V HN 0.058 nan 8.190 nan 0.000 0.424 151 D N 3.991 124.391 120.400 -0.000 0.000 2.392 151 D HA 0.322 4.962 4.640 -0.000 0.000 0.228 151 D C 0.827 177.115 176.300 -0.020 0.000 1.074 151 D CA -0.640 53.361 54.000 0.003 0.000 0.838 151 D CB 1.318 42.122 40.800 0.006 0.000 1.067 151 D HN 0.670 nan 8.370 nan 0.000 0.511 152 R N 2.816 123.303 120.500 -0.023 0.000 2.468 152 R HA 0.465 4.804 4.340 -0.000 0.000 0.280 152 R C 1.016 177.280 176.300 -0.060 0.000 0.963 152 R CA -0.093 55.966 56.100 -0.069 0.000 1.083 152 R CB 0.032 30.234 30.300 -0.164 0.000 1.200 152 R HN 0.418 nan 8.270 nan 0.000 0.541 153 G N 1.267 110.049 108.800 -0.030 0.000 2.693 153 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.226 153 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.226 153 G C -0.347 174.586 174.900 0.056 0.000 1.354 153 G CA -0.276 44.756 45.100 -0.113 0.000 0.873 153 G HN 0.556 nan 8.290 nan 0.000 0.562 154 H N -1.888 117.258 119.070 0.126 0.000 2.880 154 H HA -0.125 4.431 4.556 -0.000 0.000 0.304 154 H C 1.161 176.508 175.328 0.033 0.000 1.259 154 H CA 1.403 57.518 56.048 0.111 0.000 1.153 154 H CB -1.115 28.790 29.762 0.238 0.000 1.395 154 H HN 0.838 nan 8.280 nan 0.000 0.420 155 R N 1.195 121.756 120.500 0.102 0.000 2.570 155 R HA 0.075 4.414 4.340 -0.000 0.000 0.277 155 R C 1.194 177.506 176.300 0.020 0.000 1.039 155 R CA 0.564 56.692 56.100 0.047 0.000 1.065 155 R CB 0.434 30.752 30.300 0.029 0.000 0.964 155 R HN 0.434 nan 8.270 nan 0.000 0.428 156 E N 3.172 123.363 120.200 -0.015 0.000 2.498 156 E HA 0.154 4.503 4.350 -0.000 0.000 0.203 156 E C -0.320 176.271 176.600 -0.015 0.000 1.013 156 E CA 0.097 56.483 56.400 -0.023 0.000 0.927 156 E CB 0.442 30.110 29.700 -0.054 0.000 1.012 156 E HN 0.356 nan 8.360 nan 0.000 0.482 157 L N 1.056 122.274 121.223 -0.008 0.000 2.376 157 L HA 0.371 4.711 4.340 -0.000 0.000 0.258 157 L C -2.360 174.510 176.870 -0.001 0.000 1.013 157 L CA -2.283 52.554 54.840 -0.005 0.000 0.822 157 L CB 2.346 44.402 42.059 -0.006 0.000 1.388 157 L HN -0.214 nan 8.230 nan 0.000 0.413 158 P HA 0.203 nan 4.420 nan 0.000 0.225 158 P C -0.930 176.368 177.300 -0.003 0.000 1.768 158 P CA 0.227 63.326 63.100 -0.002 0.000 0.943 158 P CB -0.177 31.521 31.700 -0.003 0.000 1.936 159 L N 2.273 123.495 121.223 -0.000 0.000 2.342 159 L HA 0.648 4.988 4.340 -0.000 0.000 0.271 159 L C 0.521 177.391 176.870 0.000 0.000 1.008 159 L CA -1.043 53.797 54.840 -0.000 0.000 0.818 159 L CB 1.981 44.042 42.059 0.004 0.000 1.296 159 L HN 0.126 nan 8.230 nan 0.000 0.427 160 R N 1.453 121.950 120.500 -0.005 0.000 2.710 160 R HA 0.808 5.148 4.340 -0.000 0.000 0.270 160 R C -1.337 174.956 176.300 -0.011 0.000 1.021 160 R CA -0.715 55.381 56.100 -0.008 0.000 0.889 160 R CB 1.311 31.599 30.300 -0.018 0.000 1.243 160 R HN 0.533 nan 8.270 nan 0.000 0.464 161 A N 0.797 123.612 122.820 -0.008 0.000 2.354 161 A HA 0.306 4.625 4.320 -0.000 0.000 0.269 161 A C -0.354 177.191 177.584 -0.064 0.000 1.109 161 A CA -0.495 51.539 52.037 -0.004 0.000 0.800 161 A CB 0.182 19.199 19.000 0.028 0.000 1.045 161 A HN 0.896 nan 8.150 nan 0.000 0.489 162 D N -0.288 120.037 120.400 -0.125 0.000 2.144 162 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 162 D C -0.590 175.379 176.300 -0.552 0.000 0.978 162 D CA 1.890 55.652 54.000 -0.396 0.000 0.833 162 D CB -0.074 40.380 40.800 -0.576 0.000 0.961 162 D HN 0.636 nan 8.370 nan 0.000 0.470 163 Y N -0.572 119.733 120.300 0.009 0.000 2.391 163 Y HA 0.569 5.119 4.550 -0.000 0.000 0.341 163 Y C -0.574 175.332 175.900 0.009 0.000 0.965 163 Y CA -1.207 56.899 58.100 0.011 0.000 1.067 163 Y CB 1.850 40.320 38.460 0.016 0.000 1.199 163 Y HN -0.384 nan 8.280 nan 0.000 0.450 164 V N 2.136 122.130 119.914 0.132 0.000 2.577 164 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 164 V C 0.651 176.785 176.094 0.066 0.000 1.042 164 V CA -0.436 61.910 62.300 0.077 0.000 0.872 164 V CB 1.715 33.560 31.823 0.036 0.000 0.998 164 V HN 1.071 nan 8.190 nan 0.000 0.423 165 G N 3.457 112.289 108.800 0.053 0.000 2.434 165 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.214 165 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.214 165 G C 0.469 175.383 174.900 0.025 0.000 1.202 165 G CA 0.732 45.855 45.100 0.039 0.000 0.788 165 G HN 0.539 nan 8.290 nan 0.000 0.539 166 K N -0.034 120.376 120.400 0.016 0.000 2.513 166 K HA 0.306 4.626 4.320 -0.000 0.000 0.251 166 K C -1.671 174.928 176.600 -0.002 0.000 0.939 166 K CA -0.618 55.672 56.287 0.006 0.000 0.793 166 K CB 1.368 33.869 32.500 0.002 0.000 1.241 166 K HN 0.155 nan 8.250 nan 0.000 0.431 167 N N 1.688 120.384 118.700 -0.007 0.000 2.419 167 N HA 0.282 5.022 4.740 -0.000 0.000 0.264 167 N C -1.496 174.000 175.510 -0.024 0.000 1.031 167 N CA -0.459 52.581 53.050 -0.017 0.000 0.951 167 N CB 1.609 40.085 38.487 -0.018 0.000 1.101 167 N HN 0.070 nan 8.380 nan 0.000 0.488 168 V N 4.092 123.985 119.914 -0.035 0.000 2.357 168 V HA 0.341 4.461 4.120 -0.000 0.000 0.281 168 V C -2.216 173.845 176.094 -0.055 0.000 1.015 168 V CA -1.827 60.450 62.300 -0.039 0.000 0.827 168 V CB 1.309 33.109 31.823 -0.039 0.000 1.018 168 V HN 0.589 nan 8.190 nan 0.000 0.432 169 P HA 0.197 nan 4.420 nan 0.000 0.262 169 P C -0.010 177.269 177.300 -0.035 0.000 1.182 169 P CA 0.598 63.664 63.100 -0.057 0.000 0.761 169 P CB 0.369 32.049 31.700 -0.034 0.000 0.795 170 T N -0.928 113.613 114.554 -0.021 0.000 2.864 170 T HA 0.670 5.020 4.350 -0.000 0.000 0.299 170 T C -0.319 174.500 174.700 0.197 0.000 1.166 170 T CA -0.855 61.275 62.100 0.050 0.000 1.007 170 T CB 1.275 70.149 68.868 0.010 0.000 1.219 170 T HN 0.286 nan 8.240 nan 0.000 0.506 171 S N 0.230 116.017 115.700 0.144 0.000 2.651 171 S HA 0.504 4.974 4.470 -0.000 0.000 0.291 171 S C 0.951 175.602 174.600 0.085 0.000 1.141 171 S CA -0.981 57.306 58.200 0.146 0.000 1.027 171 S CB 1.804 65.044 63.200 0.067 0.000 1.043 171 S HN 0.832 nan 8.310 nan 0.000 0.530 172 R N 0.842 121.326 120.500 -0.026 0.000 2.237 172 R HA -0.032 4.308 4.340 -0.000 0.000 0.219 172 R C 1.992 178.296 176.300 0.006 0.000 1.080 172 R CA 1.461 57.521 56.100 -0.068 0.000 0.995 172 R CB -0.454 29.759 30.300 -0.145 0.000 0.875 172 R HN 0.841 nan 8.270 nan 0.000 0.462 173 S N -1.289 114.415 115.700 0.007 0.000 2.593 173 S HA 0.099 4.569 4.470 -0.000 0.000 0.217 173 S C 0.248 174.854 174.600 0.011 0.000 0.966 173 S CA -0.293 57.915 58.200 0.013 0.000 0.914 173 S CB 0.171 63.379 63.200 0.013 0.000 0.776 173 S HN 0.218 nan 8.310 nan 0.000 0.523 174 E N 1.349 121.549 120.200 0.001 0.000 2.318 174 E HA 0.544 4.894 4.350 -0.000 0.000 0.265 174 E C -0.813 175.747 176.600 -0.066 0.000 1.069 174 E CA -0.417 55.974 56.400 -0.016 0.000 0.893 174 E CB 1.291 30.982 29.700 -0.015 0.000 1.076 174 E HN 0.183 nan 8.360 nan 0.000 0.414 175 S N 0.759 116.412 115.700 -0.079 0.000 2.513 175 S HA 0.413 4.882 4.470 -0.000 0.000 0.299 175 S C -0.889 173.538 174.600 -0.288 0.000 1.087 175 S CA -0.799 57.278 58.200 -0.206 0.000 1.012 175 S CB 1.640 64.721 63.200 -0.199 0.000 1.044 175 S HN 0.218 nan 8.310 nan 0.000 0.485 176 V N 4.206 123.891 119.914 -0.382 0.000 2.370 176 V HA 0.388 4.508 4.120 -0.000 0.000 0.283 176 V C -0.612 175.247 176.094 -0.392 0.000 1.023 176 V CA -0.587 61.539 62.300 -0.290 0.000 0.857 176 V CB 0.934 32.639 31.823 -0.197 0.000 0.985 176 V HN 0.832 nan 8.190 nan 0.000 0.443 177 H N 3.732 122.790 119.070 -0.020 0.000 2.638 177 H HA 0.434 4.990 4.556 -0.000 0.000 0.317 177 H C -0.750 174.579 175.328 0.001 0.000 1.006 177 H CA -0.449 55.596 56.048 -0.004 0.000 1.222 177 H CB 1.972 31.736 29.762 0.004 0.000 1.419 177 H HN 0.381 nan 8.280 nan 0.000 0.489 178 V N 5.203 125.168 119.914 0.085 0.000 2.432 178 V HA 0.271 4.390 4.120 -0.000 0.000 0.275 178 V C 0.440 176.580 176.094 0.076 0.000 1.043 178 V CA -0.641 61.694 62.300 0.058 0.000 0.925 178 V CB 1.125 32.961 31.823 0.022 0.000 0.985 178 V HN 0.584 nan 8.190 nan 0.000 0.466 179 R N 5.441 125.983 120.500 0.070 0.000 2.534 179 R HA 0.670 5.009 4.340 -0.000 0.000 0.301 179 R C -1.256 175.082 176.300 0.064 0.000 0.961 179 R CA -0.577 55.571 56.100 0.079 0.000 0.871 179 R CB 2.043 32.383 30.300 0.067 0.000 1.170 179 R HN 0.572 nan 8.270 nan 0.000 0.446 180 L N 2.315 123.586 121.223 0.081 0.000 2.365 180 L HA 0.477 4.816 4.340 -0.000 0.000 0.273 180 L C 1.803 178.720 176.870 0.078 0.000 1.000 180 L CA -0.711 54.168 54.840 0.065 0.000 0.819 180 L CB 2.584 44.674 42.059 0.051 0.000 1.284 180 L HN 0.519 nan 8.230 nan 0.000 0.418 181 R N 0.944 121.474 120.500 0.051 0.000 2.105 181 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 181 R C 1.291 177.616 176.300 0.041 0.000 1.135 181 R CA 1.446 57.569 56.100 0.038 0.000 0.967 181 R CB 0.333 30.647 30.300 0.024 0.000 0.861 181 R HN 0.648 nan 8.270 nan 0.000 0.442 182 E N -1.170 119.062 120.200 0.053 0.000 2.158 182 E HA -0.168 4.181 4.350 -0.000 0.000 0.191 182 E C 1.614 178.259 176.600 0.075 0.000 0.982 182 E CA 1.068 57.499 56.400 0.051 0.000 0.823 182 E CB -0.111 29.616 29.700 0.045 0.000 0.766 182 E HN 0.554 nan 8.360 nan 0.000 0.468 183 H N 0.344 119.420 119.070 0.011 0.000 2.486 183 H HA 0.064 4.620 4.556 -0.001 0.000 0.287 183 H C 1.035 176.371 175.328 0.014 0.000 1.010 183 H CA 1.176 57.232 56.048 0.014 0.000 1.324 183 H CB 0.560 30.332 29.762 0.017 0.000 1.446 183 H HN -0.046 nan 8.280 nan 0.000 0.537 184 D N -1.634 118.797 120.400 0.053 0.000 2.474 184 D HA 0.164 4.804 4.640 -0.000 0.000 0.213 184 D C 1.226 177.523 176.300 -0.005 0.000 1.120 184 D CA 0.744 54.752 54.000 0.013 0.000 0.836 184 D CB 1.380 42.240 40.800 0.101 0.000 1.019 184 D HN 0.588 nan 8.370 nan 0.000 0.507 185 G N 2.597 111.397 108.800 -0.001 0.000 2.336 185 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.233 185 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.233 185 G C 0.562 175.467 174.900 0.007 0.000 1.053 185 G CA 0.513 45.611 45.100 -0.004 0.000 0.625 185 G HN 0.495 nan 8.290 nan 0.000 0.511 186 R N 0.210 120.719 120.500 0.016 0.000 2.867 186 R HA 0.719 5.059 4.340 -0.000 0.000 0.268 186 R C -1.848 174.470 176.300 0.029 0.000 1.014 186 R CA -0.853 55.258 56.100 0.019 0.000 0.946 186 R CB 1.327 31.635 30.300 0.013 0.000 1.208 186 R HN -0.005 nan 8.270 nan 0.000 0.477 187 D N -0.094 120.321 120.400 0.025 0.000 2.210 187 D HA 0.623 5.263 4.640 -0.000 0.000 0.249 187 D C -0.300 176.016 176.300 0.027 0.000 1.078 187 D CA 0.356 54.373 54.000 0.028 0.000 0.875 187 D CB 1.785 42.599 40.800 0.024 0.000 1.175 187 D HN 0.822 nan 8.370 nan 0.000 0.440 188 G N -0.337 108.482 108.800 0.031 0.000 2.377 188 G HA2 0.424 4.384 3.960 -0.000 0.000 0.297 188 G HA3 0.424 4.384 3.960 -0.000 0.000 0.297 188 G C -1.820 173.102 174.900 0.037 0.000 1.547 188 G CA -0.625 44.493 45.100 0.029 0.000 0.833 188 G HN 0.317 nan 8.290 nan 0.000 0.583 189 V N 0.334 120.268 119.914 0.034 0.000 2.588 189 V HA 0.809 4.929 4.120 -0.000 0.000 0.304 189 V C 0.259 176.381 176.094 0.047 0.000 1.042 189 V CA -0.691 61.635 62.300 0.043 0.000 0.877 189 V CB 1.416 33.255 31.823 0.026 0.000 0.996 189 V HN 1.477 nan 8.190 nan 0.000 0.425 190 V N 2.675 122.637 119.914 0.080 0.000 2.914 190 V HA 0.749 4.869 4.120 -0.000 0.000 0.314 190 V C -0.680 175.489 176.094 0.124 0.000 1.084 190 V CA -0.874 61.477 62.300 0.085 0.000 0.963 190 V CB 2.158 34.022 31.823 0.069 0.000 1.025 190 V HN 0.819 nan 8.190 nan 0.000 0.432 191 I N 2.919 123.541 120.570 0.088 0.000 2.433 191 I HA 0.765 4.935 4.170 -0.000 0.000 0.292 191 I C -0.038 176.138 176.117 0.099 0.000 1.001 191 I CA -0.036 61.310 61.300 0.076 0.000 1.119 191 I CB 1.978 39.989 38.000 0.018 0.000 1.289 191 I HN 1.011 nan 8.210 nan 0.000 0.438 192 S N 6.688 122.466 115.700 0.129 0.000 2.566 192 S HA 0.678 5.148 4.470 -0.000 0.000 0.298 192 S C -0.470 174.170 174.600 0.066 0.000 1.083 192 S CA -1.075 57.190 58.200 0.107 0.000 0.978 192 S CB 1.891 65.188 63.200 0.162 0.000 1.073 192 S HN 0.629 nan 8.310 nan 0.000 0.491 193 R N 0.000 120.528 120.500 0.046 0.000 2.786 193 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 193 R CA 0.000 56.120 56.100 0.034 0.000 0.921 193 R CB 0.000 30.315 30.300 0.024 0.000 0.687 193 R HN 0.000 nan 8.270 nan 0.000 0.535