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 2wgg_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.574 174.600 -0.043 0.000 1.055 2 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 2 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 3 Q N 2.852 122.630 119.800 -0.038 0.000 2.364 3 Q HA 0.390 4.731 4.340 0.001 0.000 0.267 3 Q C -2.346 173.583 176.000 -0.118 0.000 0.999 3 Q CA -0.830 54.942 55.803 -0.053 0.000 0.886 3 Q CB -0.214 28.518 28.738 -0.010 0.000 1.243 3 Q HN 0.394 nan 8.270 nan 0.000 0.415 4 P HA 0.084 nan 4.420 nan 0.000 0.269 4 P C -0.990 176.021 177.300 -0.481 0.000 1.209 4 P CA -0.191 62.618 63.100 -0.485 0.000 0.776 4 P CB 1.017 32.202 31.700 -0.858 0.000 0.876 5 S N -0.259 115.234 115.700 -0.344 0.000 2.651 5 S HA 0.400 4.870 4.470 0.001 0.000 0.279 5 S C 0.866 175.560 174.600 0.155 0.000 1.148 5 S CA -0.478 57.743 58.200 0.034 0.000 0.837 5 S CB 0.938 64.178 63.200 0.068 0.000 1.138 5 S HN 0.266 nan 8.310 nan 0.000 0.478 6 T N 1.667 116.466 114.554 0.407 0.000 2.737 6 T HA -0.004 4.347 4.350 0.001 0.000 0.265 6 T C 2.227 177.029 174.700 0.170 0.000 1.038 6 T CA 1.771 64.077 62.100 0.343 0.000 1.144 6 T CB -0.982 68.088 68.868 0.338 0.000 0.866 6 T HN 0.901 nan 8.240 nan 0.000 0.434 7 A N 3.324 126.215 122.820 0.117 0.000 1.873 7 A HA -0.204 4.117 4.320 0.001 0.000 0.218 7 A C 1.986 179.596 177.584 0.044 0.000 1.193 7 A CA 2.096 54.173 52.037 0.066 0.000 0.629 7 A CB -0.766 18.252 19.000 0.030 0.000 0.826 7 A HN 0.656 nan 8.150 nan 0.000 0.447 8 N N -0.903 117.809 118.700 0.021 0.000 2.383 8 N HA 0.252 4.992 4.740 0.001 0.000 0.192 8 N C 0.948 176.449 175.510 -0.016 0.000 1.141 8 N CA 1.254 54.301 53.050 -0.005 0.000 0.851 8 N CB -0.284 38.188 38.487 -0.026 0.000 0.976 8 N HN 0.948 nan 8.380 nan 0.000 0.465 9 G N -1.421 107.382 108.800 0.005 0.000 2.176 9 G HA2 -0.272 3.689 3.960 0.001 0.000 0.253 9 G HA3 -0.272 3.689 3.960 0.001 0.000 0.253 9 G C 1.035 175.912 174.900 -0.039 0.000 0.979 9 G CA 0.309 45.412 45.100 0.005 0.000 0.641 9 G HN 0.670 nan 8.290 nan 0.000 0.530 10 G N -0.420 108.300 108.800 -0.133 0.000 2.422 10 G HA2 0.278 4.239 3.960 0.001 0.000 0.218 10 G HA3 0.278 4.239 3.960 0.001 0.000 0.218 10 G C 0.516 175.210 174.900 -0.343 0.000 1.140 10 G CA 0.955 45.879 45.100 -0.292 0.000 0.775 10 G HN 0.453 nan 8.290 nan 0.000 0.545 11 F N 1.312 121.274 119.950 0.021 0.000 2.450 11 F HA 0.467 4.995 4.527 0.001 0.000 0.332 11 F C -1.860 173.943 175.800 0.005 0.000 1.093 11 F CA -3.383 54.609 58.000 -0.013 0.000 1.003 11 F CB 1.538 40.550 39.000 0.019 0.000 1.151 11 F HN -0.179 nan 8.300 nan 0.000 0.474 12 P HA 0.008 nan 4.420 nan 0.000 0.269 12 P C -0.345 177.042 177.300 0.146 0.000 1.215 12 P CA -0.223 62.943 63.100 0.111 0.000 0.780 12 P CB 0.825 32.556 31.700 0.052 0.000 0.898 13 S N 0.967 116.753 115.700 0.143 0.000 2.510 13 S HA 0.253 4.724 4.470 0.001 0.000 0.279 13 S C -0.261 174.437 174.600 0.163 0.000 1.284 13 S CA -0.455 57.849 58.200 0.173 0.000 1.059 13 S CB -0.373 62.922 63.200 0.158 0.000 0.901 13 S HN 0.198 nan 8.310 nan 0.000 0.491 14 V N 6.387 126.425 119.914 0.207 0.000 2.495 14 V HA 0.586 4.706 4.120 0.001 0.000 0.298 14 V C -0.149 176.061 176.094 0.192 0.000 1.031 14 V CA -0.704 61.711 62.300 0.191 0.000 0.871 14 V CB 1.633 33.614 31.823 0.265 0.000 0.988 14 V HN 0.798 nan 8.190 nan 0.000 0.432 15 V N 2.835 122.836 119.914 0.144 0.000 2.769 15 V HA 0.719 4.839 4.120 0.001 0.000 0.312 15 V C -0.347 175.797 176.094 0.082 0.000 1.061 15 V CA -0.894 61.476 62.300 0.117 0.000 0.931 15 V CB 1.852 33.706 31.823 0.051 0.000 1.010 15 V HN 0.458 nan 8.190 nan 0.000 0.433 16 V N 4.086 124.050 119.914 0.084 0.000 2.427 16 V HA 0.314 4.435 4.120 0.001 0.000 0.268 16 V C 1.457 177.533 176.094 -0.030 0.000 1.046 16 V CA 0.760 63.092 62.300 0.052 0.000 0.970 16 V CB 0.676 32.549 31.823 0.083 0.000 1.001 16 V HN 1.188 nan 8.190 nan 0.000 0.476 17 T N 0.933 115.464 114.554 -0.038 0.000 2.985 17 T HA 0.620 4.971 4.350 0.001 0.000 0.254 17 T C 0.354 175.004 174.700 -0.083 0.000 1.021 17 T CA 0.463 62.515 62.100 -0.081 0.000 0.957 17 T CB 0.576 69.395 68.868 -0.082 0.000 1.047 17 T HN 0.980 nan 8.240 nan 0.000 0.511 18 A N 0.878 123.664 122.820 -0.058 0.000 2.605 18 A HA 0.734 5.055 4.320 0.001 0.000 0.294 18 A C -1.123 176.441 177.584 -0.034 0.000 1.062 18 A CA -0.561 51.442 52.037 -0.056 0.000 0.682 18 A CB 1.547 20.509 19.000 -0.065 0.000 1.278 18 A HN 1.056 nan 8.150 nan 0.000 0.410 19 V N -1.683 118.206 119.914 -0.042 0.000 3.049 19 V HA 0.992 5.113 4.120 0.001 0.000 0.309 19 V C -0.530 175.550 176.094 -0.023 0.000 1.148 19 V CA -0.108 62.170 62.300 -0.038 0.000 0.990 19 V CB 1.419 33.191 31.823 -0.085 0.000 1.039 19 V HN 1.670 nan 8.190 nan 0.000 0.430 20 T N 1.362 115.911 114.554 -0.009 0.000 2.923 20 T HA 0.884 5.234 4.350 0.001 0.000 0.311 20 T C -0.912 173.788 174.700 -0.000 0.000 1.183 20 T CA 0.353 62.452 62.100 -0.002 0.000 1.020 20 T CB 1.539 70.415 68.868 0.013 0.000 1.165 20 T HN 2.280 nan 8.240 nan 0.000 0.482 21 A N 2.074 124.896 122.820 0.004 0.000 2.604 21 A HA 0.767 5.088 4.320 0.001 0.000 0.295 21 A C -0.584 177.012 177.584 0.020 0.000 1.067 21 A CA -0.654 51.391 52.037 0.013 0.000 0.683 21 A CB 1.964 20.973 19.000 0.016 0.000 1.281 21 A HN 0.808 nan 8.150 nan 0.000 0.407 22 T N 0.320 114.890 114.554 0.026 0.000 2.856 22 T HA 0.790 5.140 4.350 0.001 0.000 0.283 22 T C -0.474 174.263 174.700 0.062 0.000 1.008 22 T CA 0.019 62.143 62.100 0.040 0.000 0.997 22 T CB 1.305 70.190 68.868 0.029 0.000 0.992 22 T HN 0.941 nan 8.240 nan 0.000 0.454 23 T N 0.898 115.498 114.554 0.076 0.000 2.816 23 T HA 0.382 4.733 4.350 0.001 0.000 0.299 23 T C 1.205 175.966 174.700 0.102 0.000 1.230 23 T CA -0.071 62.079 62.100 0.084 0.000 1.007 23 T CB 1.379 70.296 68.868 0.082 0.000 1.289 23 T HN 0.656 nan 8.240 nan 0.000 0.508 24 S N 0.395 116.159 115.700 0.107 0.000 2.515 24 S HA 0.060 4.530 4.470 0.001 0.000 0.231 24 S C 1.709 176.383 174.600 0.123 0.000 0.987 24 S CA 0.659 58.939 58.200 0.132 0.000 0.936 24 S CB -0.461 62.819 63.200 0.133 0.000 0.766 24 S HN 0.606 nan 8.310 nan 0.000 0.528 25 I N 0.149 120.780 120.570 0.102 0.000 2.628 25 I HA 0.179 4.349 4.170 0.001 0.000 0.255 25 I C 1.111 177.277 176.117 0.082 0.000 1.119 25 I CA 0.417 61.771 61.300 0.089 0.000 1.448 25 I CB 0.310 38.360 38.000 0.084 0.000 1.133 25 I HN 0.325 nan 8.210 nan 0.000 0.438 26 S N -0.845 114.906 115.700 0.084 0.000 2.552 26 S HA 0.338 4.809 4.470 0.001 0.000 0.272 26 S C -2.351 172.294 174.600 0.074 0.000 1.150 26 S CA -0.929 57.317 58.200 0.077 0.000 0.849 26 S CB 1.748 64.992 63.200 0.073 0.000 1.113 26 S HN -0.189 nan 8.310 nan 0.000 0.458 27 P HA 0.155 nan 4.420 nan 0.000 0.241 27 P C -0.374 176.948 177.300 0.037 0.000 1.191 27 P CA 0.463 63.594 63.100 0.051 0.000 0.771 27 P CB -0.195 31.540 31.700 0.057 0.000 0.929 28 D N 0.224 120.653 120.400 0.048 0.000 2.349 28 D HA 0.092 4.732 4.640 0.001 0.000 0.232 28 D C 1.016 177.350 176.300 0.057 0.000 1.071 28 D CA -0.758 53.268 54.000 0.044 0.000 0.832 28 D CB 0.829 41.657 40.800 0.047 0.000 1.086 28 D HN -0.262 nan 8.370 nan 0.000 0.504 29 I N 3.820 124.416 120.570 0.043 0.000 2.248 29 I HA -0.212 3.958 4.170 0.001 0.000 0.248 29 I C 1.615 177.790 176.117 0.096 0.000 1.107 29 I CA 1.655 62.987 61.300 0.052 0.000 1.373 29 I CB 0.070 38.072 38.000 0.004 0.000 1.055 29 I HN 0.430 nan 8.210 nan 0.000 0.418 30 E N 0.154 120.404 120.200 0.084 0.000 2.150 30 E HA -0.115 4.236 4.350 0.001 0.000 0.193 30 E C 2.322 179.025 176.600 0.170 0.000 0.985 30 E CA 1.380 57.862 56.400 0.137 0.000 0.814 30 E CB -0.336 29.417 29.700 0.089 0.000 0.752 30 E HN 0.519 nan 8.360 nan 0.000 0.466 31 S N 0.486 116.256 115.700 0.116 0.000 2.387 31 S HA -0.071 4.400 4.470 0.001 0.000 0.226 31 S C 2.102 176.766 174.600 0.107 0.000 1.026 31 S CA 1.172 59.430 58.200 0.096 0.000 0.972 31 S CB -0.257 62.986 63.200 0.070 0.000 0.814 31 S HN 0.253 nan 8.310 nan 0.000 0.477 32 T N 1.495 116.126 114.554 0.128 0.000 2.652 32 T HA -0.176 4.175 4.350 0.001 0.000 0.267 32 T C 1.325 176.142 174.700 0.195 0.000 1.039 32 T CA 1.242 63.428 62.100 0.144 0.000 1.153 32 T CB -0.396 68.560 68.868 0.146 0.000 0.863 32 T HN 0.614 nan 8.240 nan 0.000 0.428 33 W N 2.027 123.333 121.300 0.010 0.000 2.335 33 W HA -0.153 4.508 4.660 0.001 0.000 0.311 33 W C 2.086 178.600 176.519 -0.010 0.000 1.213 33 W CA 1.187 58.530 57.345 -0.004 0.000 1.274 33 W CB -0.123 29.329 29.460 -0.013 0.000 1.148 33 W HN 0.267 nan 8.180 nan 0.000 0.498 34 K N -0.223 120.187 120.400 0.016 0.000 2.057 34 K HA -0.124 4.196 4.320 0.001 0.000 0.207 34 K C 2.327 178.861 176.600 -0.109 0.000 1.049 34 K CA 1.455 57.681 56.287 -0.101 0.000 0.931 34 K CB -0.946 31.555 32.500 0.003 0.000 0.714 34 K HN 0.214 nan 8.250 nan 0.000 0.440 35 G N 1.642 110.422 108.800 -0.033 0.000 2.469 35 G HA2 -0.259 3.702 3.960 0.001 0.000 0.219 35 G HA3 -0.259 3.702 3.960 0.001 0.000 0.219 35 G C 1.494 176.359 174.900 -0.059 0.000 1.150 35 G CA 0.799 45.885 45.100 -0.023 0.000 0.763 35 G HN 0.106 nan 8.290 nan 0.000 0.561 36 L N -0.154 121.018 121.223 -0.084 0.000 2.017 36 L HA -0.008 4.333 4.340 0.001 0.000 0.208 36 L C 2.928 179.652 176.870 -0.244 0.000 1.073 36 L CA 0.606 55.379 54.840 -0.113 0.000 0.745 36 L CB -0.396 41.617 42.059 -0.077 0.000 0.894 36 L HN 0.186 nan 8.230 nan 0.000 0.432 37 L N -0.348 120.627 121.223 -0.413 0.000 2.083 37 L HA -0.180 4.160 4.340 0.001 0.000 0.209 37 L C 2.610 179.342 176.870 -0.230 0.000 1.083 37 L CA 1.072 55.652 54.840 -0.433 0.000 0.752 37 L CB -0.696 41.034 42.059 -0.548 0.000 0.899 37 L HN 0.244 nan 8.230 nan 0.000 0.433 38 A N -0.318 122.406 122.820 -0.159 0.000 2.239 38 A HA 0.221 4.542 4.320 0.001 0.000 0.209 38 A C 1.694 179.244 177.584 -0.056 0.000 1.171 38 A CA 0.797 52.783 52.037 -0.084 0.000 0.768 38 A CB -0.581 18.385 19.000 -0.056 0.000 0.790 38 A HN 0.558 nan 8.150 nan 0.000 0.478 39 G N -0.523 108.238 108.800 -0.064 0.000 2.149 39 G HA2 -0.216 3.744 3.960 0.001 0.000 0.235 39 G HA3 -0.216 3.744 3.960 0.001 0.000 0.235 39 G C -0.218 174.682 174.900 0.001 0.000 1.018 39 G CA 0.264 45.349 45.100 -0.025 0.000 0.728 39 G HN 0.637 nan 8.290 nan 0.000 0.508 40 E N 0.182 120.382 120.200 -0.000 0.000 2.349 40 E HA 0.530 4.880 4.350 0.001 0.000 0.265 40 E C 0.230 176.854 176.600 0.039 0.000 1.064 40 E CA 0.220 56.633 56.400 0.021 0.000 0.886 40 E CB 1.291 31.004 29.700 0.022 0.000 1.036 40 E HN 0.208 nan 8.360 nan 0.000 0.413 41 S N 0.518 116.247 115.700 0.048 0.000 2.482 41 S HA 0.464 4.935 4.470 0.001 0.000 0.303 41 S C 0.536 175.178 174.600 0.071 0.000 1.091 41 S CA -0.525 57.709 58.200 0.056 0.000 1.057 41 S CB 1.398 64.627 63.200 0.049 0.000 1.031 41 S HN 0.609 nan 8.310 nan 0.000 0.485 42 G N 3.421 112.267 108.800 0.077 0.000 3.042 42 G HA2 0.197 4.157 3.960 0.001 0.000 0.212 42 G HA3 0.197 4.157 3.960 0.001 0.000 0.212 42 G C 0.202 175.174 174.900 0.119 0.000 1.166 42 G CA -0.053 45.112 45.100 0.108 0.000 0.767 42 G HN 0.613 nan 8.290 nan 0.000 0.546 43 I N 2.065 122.671 120.570 0.059 0.000 2.342 43 I HA 0.369 4.539 4.170 0.001 0.000 0.291 43 I C 0.320 176.447 176.117 0.015 0.000 1.010 43 I CA -0.996 60.285 61.300 -0.030 0.000 1.308 43 I CB 0.303 38.279 38.000 -0.040 0.000 1.400 43 I HN 0.389 nan 8.210 nan 0.000 0.488 44 H N 3.493 122.577 119.070 0.023 0.000 2.949 44 H HA 0.871 5.427 4.556 0.001 0.000 0.310 44 H C -0.581 174.763 175.328 0.027 0.000 1.405 44 H CA -1.182 54.884 56.048 0.030 0.000 1.253 44 H CB 0.779 30.569 29.762 0.047 0.000 1.932 44 H HN 0.569 nan 8.280 nan 0.000 0.602 45 A N 1.167 124.122 122.820 0.225 0.000 2.363 45 A HA 0.404 4.725 4.320 0.001 0.000 0.270 45 A C -0.131 177.617 177.584 0.273 0.000 1.121 45 A CA -0.727 51.405 52.037 0.158 0.000 0.800 45 A CB -0.319 18.752 19.000 0.117 0.000 1.052 45 A HN 0.573 nan 8.150 nan 0.000 0.493 46 L N 2.152 123.468 121.223 0.156 0.000 2.410 46 L HA 0.194 4.534 4.340 0.001 0.000 0.273 46 L C 0.775 177.721 176.870 0.127 0.000 1.152 46 L CA -0.034 54.923 54.840 0.195 0.000 0.855 46 L CB 0.491 42.653 42.059 0.170 0.000 1.129 46 L HN 0.775 nan 8.230 nan 0.000 0.463 47 E N 0.665 120.919 120.200 0.090 0.000 2.601 47 E HA 0.074 4.424 4.350 0.001 0.000 0.219 47 E C -0.575 175.956 176.600 -0.115 0.000 0.964 47 E CA -0.052 56.347 56.400 -0.001 0.000 1.050 47 E CB 0.471 30.173 29.700 0.003 0.000 1.068 47 E HN 0.667 nan 8.360 nan 0.000 0.496 48 D N 2.105 122.350 120.400 -0.258 0.000 2.389 48 D HA -0.010 4.631 4.640 0.001 0.000 0.263 48 D C 0.986 177.004 176.300 -0.470 0.000 1.255 48 D CA 0.250 53.924 54.000 -0.544 0.000 0.914 48 D CB 0.602 40.652 40.800 -1.250 0.000 1.116 48 D HN -0.017 nan 8.370 nan 0.000 0.502 49 E N 1.103 121.172 120.200 -0.218 0.000 2.332 49 E HA -0.333 4.017 4.350 0.001 0.000 0.223 49 E C 1.578 178.186 176.600 0.014 0.000 1.095 49 E CA 1.508 57.860 56.400 -0.080 0.000 0.897 49 E CB -0.290 29.383 29.700 -0.045 0.000 0.763 49 E HN 0.745 nan 8.360 nan 0.000 0.464 50 F N -0.491 119.504 119.950 0.075 0.000 2.449 50 F HA -0.103 4.424 4.527 0.000 0.000 0.299 50 F C 1.648 177.566 175.800 0.196 0.000 1.092 50 F CA 0.497 58.574 58.000 0.128 0.000 1.446 50 F CB -1.010 38.181 39.000 0.318 0.000 1.084 50 F HN -0.157 nan 8.300 nan 0.000 0.567 51 V N 1.205 121.423 119.914 0.507 0.000 2.379 51 V HA -0.241 3.879 4.120 0.001 0.000 0.245 51 V C 2.696 178.937 176.094 0.246 0.000 1.044 51 V CA 2.356 64.908 62.300 0.419 0.000 1.036 51 V CB -1.265 30.705 31.823 0.246 0.000 0.664 51 V HN 0.607 nan 8.190 nan 0.000 0.453 52 T N -1.737 112.902 114.554 0.143 0.000 2.812 52 T HA -0.204 4.146 4.350 0.001 0.000 0.264 52 T C 1.890 176.609 174.700 0.032 0.000 1.042 52 T CA 1.405 63.550 62.100 0.075 0.000 1.140 52 T CB -0.303 68.584 68.868 0.032 0.000 0.870 52 T HN 0.354 nan 8.240 nan 0.000 0.445 53 K N 0.239 120.628 120.400 -0.018 0.000 2.052 53 K HA -0.184 4.137 4.320 0.001 0.000 0.215 53 K C 1.575 177.994 176.600 -0.302 0.000 1.053 53 K CA 2.105 58.251 56.287 -0.235 0.000 0.934 53 K CB -0.288 31.991 32.500 -0.369 0.000 0.717 53 K HN 0.630 nan 8.250 nan 0.000 0.450 54 W N 0.464 121.827 121.300 0.105 0.000 3.220 54 W HA 0.115 4.775 4.660 0.000 0.000 0.328 54 W C -0.287 176.263 176.519 0.051 0.000 1.205 54 W CA -0.607 56.774 57.345 0.059 0.000 1.773 54 W CB 0.362 29.835 29.460 0.022 0.000 1.086 54 W HN 0.169 nan 8.180 nan 0.000 0.622 55 D N 1.917 122.455 120.400 0.230 0.000 3.060 55 D HA -0.197 4.443 4.640 0.001 0.000 0.209 55 D C -0.507 175.894 176.300 0.170 0.000 1.232 55 D CA 0.739 54.837 54.000 0.165 0.000 0.841 55 D CB -0.668 40.196 40.800 0.107 0.000 0.863 55 D HN 0.091 nan 8.370 nan 0.000 0.389 56 L N 1.260 122.596 121.223 0.188 0.000 2.326 56 L HA 0.494 4.835 4.340 0.001 0.000 0.278 56 L C 1.894 178.815 176.870 0.084 0.000 1.092 56 L CA -0.244 54.675 54.840 0.131 0.000 0.810 56 L CB 1.180 43.328 42.059 0.148 0.000 1.153 56 L HN 0.333 nan 8.230 nan 0.000 0.439 57 A N 3.192 126.038 122.820 0.043 0.000 2.066 57 A HA 0.067 4.388 4.320 0.001 0.000 0.218 57 A C 0.781 178.363 177.584 -0.003 0.000 1.157 57 A CA 0.491 52.537 52.037 0.016 0.000 0.670 57 A CB -0.077 18.921 19.000 -0.003 0.000 0.804 57 A HN 0.406 nan 8.150 nan 0.000 0.453 58 V N 0.910 120.820 119.914 -0.007 0.000 2.348 58 V HA 0.197 4.318 4.120 0.001 0.000 0.270 58 V C 0.259 176.373 176.094 0.033 0.000 1.037 58 V CA -0.182 62.099 62.300 -0.031 0.000 0.872 58 V CB 0.988 32.751 31.823 -0.100 0.000 1.002 58 V HN 0.438 nan 8.190 nan 0.000 0.464 59 K N 5.650 126.067 120.400 0.029 0.000 2.537 59 K HA 0.447 4.768 4.320 0.001 0.000 0.206 59 K C -0.204 176.421 176.600 0.041 0.000 1.041 59 K CA -0.029 56.299 56.287 0.069 0.000 1.090 59 K CB 0.469 33.009 32.500 0.067 0.000 0.833 59 K HN 0.759 nan 8.250 nan 0.000 0.493 60 I N -3.608 116.959 120.570 -0.005 0.000 2.934 60 I HA 0.854 5.025 4.170 0.001 0.000 0.306 60 I C -0.206 175.844 176.117 -0.112 0.000 1.110 60 I CA -1.027 60.236 61.300 -0.061 0.000 1.019 60 I CB 2.440 40.400 38.000 -0.066 0.000 1.227 60 I HN 0.020 nan 8.210 nan 0.000 0.434 61 G N 1.548 110.198 108.800 -0.251 0.000 2.313 61 G HA2 0.498 4.458 3.960 0.001 0.000 0.296 61 G HA3 0.498 4.458 3.960 0.001 0.000 0.296 61 G C -1.473 173.082 174.900 -0.575 0.000 1.356 61 G CA -0.297 44.642 45.100 -0.268 0.000 0.833 61 G HN 1.027 nan 8.290 nan 0.000 0.552 62 G N 0.054 108.653 108.800 -0.335 0.000 2.671 62 G HA2 0.581 4.542 3.960 0.001 0.000 0.318 62 G HA3 0.581 4.542 3.960 0.001 0.000 0.318 62 G C -0.336 174.544 174.900 -0.034 0.000 1.250 62 G CA -0.480 44.490 45.100 -0.217 0.000 1.028 62 G HN 0.600 nan 8.290 nan 0.000 0.501 63 H N 1.624 120.886 119.070 0.321 0.000 2.679 63 H HA 0.113 4.669 4.556 0.001 0.000 0.369 63 H C 0.927 176.371 175.328 0.193 0.000 1.178 63 H CA 0.017 56.208 56.048 0.238 0.000 1.419 63 H CB 1.375 31.282 29.762 0.241 0.000 1.458 63 H HN 0.250 nan 8.280 nan 0.000 0.605 64 L N 2.011 123.400 121.223 0.276 0.000 2.525 64 L HA -0.131 4.210 4.340 0.001 0.000 0.278 64 L C 1.792 178.766 176.870 0.174 0.000 1.218 64 L CA 0.085 55.042 54.840 0.196 0.000 0.878 64 L CB 0.364 42.533 42.059 0.183 0.000 1.127 64 L HN 0.571 nan 8.230 nan 0.000 0.492 65 K N 1.788 122.271 120.400 0.138 0.000 2.063 65 K HA -0.160 4.160 4.320 0.001 0.000 0.208 65 K C 0.270 176.927 176.600 0.095 0.000 1.048 65 K CA 1.419 57.770 56.287 0.106 0.000 0.928 65 K CB -0.008 32.546 32.500 0.090 0.000 0.713 65 K HN 0.570 nan 8.250 nan 0.000 0.442 66 D N 0.384 120.853 120.400 0.115 0.000 2.462 66 D HA 0.218 4.858 4.640 0.001 0.000 0.245 66 D C -2.679 173.720 176.300 0.165 0.000 1.122 66 D CA -2.667 51.415 54.000 0.136 0.000 0.864 66 D CB 1.085 41.989 40.800 0.174 0.000 1.098 66 D HN -0.051 nan 8.370 nan 0.000 0.541 67 P HA -0.055 nan 4.420 nan 0.000 0.265 67 P C 1.224 178.651 177.300 0.211 0.000 1.193 67 P CA -0.326 62.874 63.100 0.166 0.000 0.765 67 P CB 1.307 33.074 31.700 0.112 0.000 0.823 68 V N 2.457 122.490 119.914 0.198 0.000 2.324 68 V HA -0.232 3.889 4.120 0.001 0.000 0.250 68 V C 1.614 177.800 176.094 0.153 0.000 1.060 68 V CA 2.160 64.528 62.300 0.113 0.000 1.042 68 V CB -0.952 30.795 31.823 -0.128 0.000 0.650 68 V HN 0.533 nan 8.190 nan 0.000 0.450 69 D N -0.143 120.340 120.400 0.139 0.000 2.378 69 D HA -0.044 4.597 4.640 0.001 0.000 0.227 69 D C 2.162 178.499 176.300 0.062 0.000 1.012 69 D CA 1.121 55.180 54.000 0.098 0.000 0.905 69 D CB -0.018 40.852 40.800 0.117 0.000 0.895 69 D HN 0.627 nan 8.370 nan 0.000 0.532 70 S N -0.691 115.039 115.700 0.051 0.000 2.562 70 S HA -0.090 4.380 4.470 0.001 0.000 0.221 70 S C 1.001 175.441 174.600 -0.266 0.000 0.975 70 S CA 0.356 58.494 58.200 -0.103 0.000 0.918 70 S CB -0.265 62.849 63.200 -0.142 0.000 0.772 70 S HN 0.271 nan 8.310 nan 0.000 0.531 71 H N 0.168 119.242 119.070 0.006 0.000 2.592 71 H HA 0.489 5.045 4.556 0.001 0.000 0.279 71 H C -0.293 175.032 175.328 -0.006 0.000 1.089 71 H CA -0.267 55.781 56.048 0.001 0.000 1.150 71 H CB 0.242 30.003 29.762 -0.002 0.000 1.575 71 H HN 0.301 nan 8.280 nan 0.000 0.547 72 M N 0.970 120.615 119.600 0.074 0.000 2.243 72 M HA 0.404 4.884 4.480 0.001 0.000 0.324 72 M C 0.750 177.065 176.300 0.026 0.000 1.031 72 M CA -0.474 54.853 55.300 0.045 0.000 0.949 72 M CB 1.695 34.314 32.600 0.031 0.000 1.615 72 M HN 0.297 nan 8.290 nan 0.000 0.430 73 G N 2.409 111.222 108.800 0.021 0.000 2.557 73 G HA2 0.446 4.407 3.960 0.001 0.000 0.292 73 G HA3 0.446 4.407 3.960 0.001 0.000 0.292 73 G C 0.791 175.700 174.900 0.015 0.000 1.237 73 G CA -0.530 44.579 45.100 0.015 0.000 0.978 73 G HN 0.791 nan 8.290 nan 0.000 0.498 74 R N -0.765 119.742 120.500 0.012 0.000 2.105 74 R HA -0.072 4.268 4.340 0.001 0.000 0.239 74 R C 2.284 178.592 176.300 0.013 0.000 1.135 74 R CA 0.642 56.750 56.100 0.013 0.000 0.967 74 R CB -0.571 29.736 30.300 0.011 0.000 0.861 74 R HN 0.353 nan 8.270 nan 0.000 0.442 75 L N 1.548 122.777 121.223 0.011 0.000 1.994 75 L HA -0.188 4.152 4.340 0.001 0.000 0.208 75 L C 1.362 178.237 176.870 0.008 0.000 1.071 75 L CA 2.000 56.845 54.840 0.009 0.000 0.745 75 L CB -0.588 41.474 42.059 0.006 0.000 0.892 75 L HN 0.166 nan 8.230 nan 0.000 0.431 76 D N -0.614 119.791 120.400 0.008 0.000 2.178 76 D HA -0.165 4.476 4.640 0.001 0.000 0.202 76 D C 2.266 178.572 176.300 0.010 0.000 0.974 76 D CA 0.826 54.828 54.000 0.004 0.000 0.841 76 D CB 0.022 40.822 40.800 -0.001 0.000 0.953 76 D HN 0.250 nan 8.370 nan 0.000 0.478 77 M N -0.166 119.445 119.600 0.018 0.000 2.374 77 M HA -0.062 4.419 4.480 0.001 0.000 0.264 77 M C 2.002 178.320 176.300 0.030 0.000 1.067 77 M CA 0.831 56.149 55.300 0.029 0.000 1.103 77 M CB -0.503 32.117 32.600 0.033 0.000 1.402 77 M HN 0.012 nan 8.290 nan 0.000 0.444 78 R N 0.787 121.300 120.500 0.022 0.000 2.156 78 R HA -0.012 4.328 4.340 0.001 0.000 0.207 78 R C 2.089 178.400 176.300 0.019 0.000 1.040 78 R CA 0.662 56.775 56.100 0.021 0.000 1.013 78 R CB 0.296 30.606 30.300 0.016 0.000 0.931 78 R HN 0.418 nan 8.270 nan 0.000 0.465 79 R N -0.992 119.516 120.500 0.013 0.000 2.365 79 R HA 0.295 4.635 4.340 0.001 0.000 0.223 79 R C 0.030 176.333 176.300 0.006 0.000 0.899 79 R CA 0.018 56.123 56.100 0.008 0.000 1.059 79 R CB 0.499 30.800 30.300 0.003 0.000 1.086 79 R HN 0.020 nan 8.270 nan 0.000 0.522 80 M N 1.308 120.913 119.600 0.009 0.000 2.518 80 M HA 0.298 4.778 4.480 0.001 0.000 0.300 80 M C -0.516 175.798 176.300 0.024 0.000 1.175 80 M CA -1.023 54.280 55.300 0.006 0.000 0.890 80 M CB 2.685 35.278 32.600 -0.012 0.000 1.710 80 M HN 0.170 nan 8.290 nan 0.000 0.453 81 S N 0.537 116.255 115.700 0.031 0.000 2.661 81 S HA 0.182 4.652 4.470 0.001 0.000 0.265 81 S C 0.749 175.400 174.600 0.084 0.000 1.225 81 S CA -0.374 57.866 58.200 0.066 0.000 0.986 81 S CB 0.475 63.714 63.200 0.065 0.000 1.008 81 S HN 0.784 nan 8.310 nan 0.000 0.565 82 Y N 1.069 121.378 120.300 0.015 0.000 2.181 82 Y HA -0.157 4.394 4.550 0.001 0.000 0.288 82 Y C 2.200 178.107 175.900 0.012 0.000 1.146 82 Y CA 2.255 60.366 58.100 0.018 0.000 1.164 82 Y CB -0.665 37.808 38.460 0.022 0.000 0.982 82 Y HN 0.502 nan 8.280 nan 0.000 0.515 83 V N -1.444 118.555 119.914 0.141 0.000 2.515 83 V HA -0.244 3.876 4.120 0.001 0.000 0.250 83 V C 1.851 177.916 176.094 -0.049 0.000 1.058 83 V CA 1.905 64.236 62.300 0.051 0.000 1.064 83 V CB -1.032 30.845 31.823 0.090 0.000 0.675 83 V HN 0.451 nan 8.190 nan 0.000 0.461 84 Q N 0.366 120.143 119.800 -0.039 0.000 2.079 84 Q HA -0.103 4.237 4.340 0.001 0.000 0.200 84 Q C 2.543 178.488 176.000 -0.091 0.000 0.974 84 Q CA 1.731 57.503 55.803 -0.052 0.000 0.840 84 Q CB -0.239 28.481 28.738 -0.030 0.000 0.898 84 Q HN 0.630 nan 8.270 nan 0.000 0.430 85 R N 0.396 120.815 120.500 -0.134 0.000 2.073 85 R HA -0.126 4.214 4.340 0.001 0.000 0.234 85 R C 2.321 178.487 176.300 -0.224 0.000 1.134 85 R CA 1.527 57.523 56.100 -0.173 0.000 0.952 85 R CB -0.431 29.747 30.300 -0.203 0.000 0.850 85 R HN 0.315 nan 8.270 nan 0.000 0.433 86 M N 0.400 119.793 119.600 -0.345 0.000 2.082 86 M HA -0.162 4.318 4.480 0.001 0.000 0.258 86 M C 2.130 178.353 176.300 -0.127 0.000 1.069 86 M CA 2.281 57.428 55.300 -0.254 0.000 1.102 86 M CB -0.451 32.008 32.600 -0.235 0.000 1.336 86 M HN 0.289 nan 8.290 nan 0.000 0.404 87 G N 0.107 108.848 108.800 -0.098 0.000 2.421 87 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 87 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 87 G C 1.548 176.414 174.900 -0.056 0.000 1.171 87 G CA 1.086 46.150 45.100 -0.060 0.000 0.775 87 G HN 0.506 nan 8.290 nan 0.000 0.543 88 K N -0.288 120.073 120.400 -0.066 0.000 2.009 88 K HA -0.096 4.224 4.320 0.001 0.000 0.210 88 K C 2.469 179.041 176.600 -0.047 0.000 1.049 88 K CA 1.382 57.637 56.287 -0.054 0.000 0.929 88 K CB -0.328 32.141 32.500 -0.053 0.000 0.714 88 K HN 0.244 nan 8.250 nan 0.000 0.440 89 L N 1.780 122.962 121.223 -0.068 0.000 1.970 89 L HA -0.196 4.144 4.340 0.001 0.000 0.212 89 L C 2.157 178.990 176.870 -0.060 0.000 1.071 89 L CA 1.666 56.458 54.840 -0.080 0.000 0.751 89 L CB -0.570 41.411 42.059 -0.129 0.000 0.889 89 L HN 0.239 nan 8.230 nan 0.000 0.432 90 L N -0.990 120.203 121.223 -0.051 0.000 2.093 90 L HA -0.095 4.245 4.340 0.001 0.000 0.208 90 L C 2.548 179.432 176.870 0.022 0.000 1.085 90 L CA 1.082 55.912 54.840 -0.018 0.000 0.755 90 L CB -1.472 40.580 42.059 -0.013 0.000 0.904 90 L HN 0.478 nan 8.230 nan 0.000 0.435 91 G N 0.096 108.906 108.800 0.018 0.000 2.476 91 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 91 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 91 G C 1.578 176.535 174.900 0.095 0.000 1.164 91 G CA 0.876 46.004 45.100 0.047 0.000 0.768 91 G HN 0.484 nan 8.290 nan 0.000 0.560 92 G N -0.111 108.724 108.800 0.059 0.000 2.394 92 G HA2 -0.115 3.845 3.960 0.001 0.000 0.215 92 G HA3 -0.115 3.845 3.960 0.001 0.000 0.215 92 G C 1.796 176.766 174.900 0.118 0.000 1.165 92 G CA 1.020 46.176 45.100 0.093 0.000 0.784 92 G HN 0.503 nan 8.290 nan 0.000 0.535 93 Q N -0.562 119.275 119.800 0.061 0.000 2.077 93 Q HA -0.127 4.213 4.340 0.001 0.000 0.206 93 Q C 2.497 178.542 176.000 0.076 0.000 0.989 93 Q CA 1.418 57.249 55.803 0.046 0.000 0.853 93 Q CB -0.302 28.438 28.738 0.003 0.000 0.907 93 Q HN 0.435 nan 8.270 nan 0.000 0.418 94 L N -0.129 121.159 121.223 0.108 0.000 2.056 94 L HA -0.142 4.199 4.340 0.001 0.000 0.207 94 L C 1.929 178.900 176.870 0.168 0.000 1.078 94 L CA 1.644 56.558 54.840 0.123 0.000 0.749 94 L CB -0.514 41.639 42.059 0.156 0.000 0.901 94 L HN 0.376 nan 8.230 nan 0.000 0.433 95 W N 0.787 122.091 121.300 0.006 0.000 2.355 95 W HA -0.282 4.378 4.660 0.001 0.000 0.309 95 W C 2.466 178.978 176.519 -0.011 0.000 1.206 95 W CA 1.854 59.199 57.345 0.000 0.000 1.284 95 W CB -0.074 29.395 29.460 0.015 0.000 1.145 95 W HN 0.462 nan 8.180 nan 0.000 0.502 96 E N 0.269 120.548 120.200 0.131 0.000 2.070 96 E HA -0.242 4.108 4.350 0.001 0.000 0.197 96 E C 2.030 178.600 176.600 -0.050 0.000 1.004 96 E CA 2.555 58.969 56.400 0.023 0.000 0.805 96 E CB -0.622 29.108 29.700 0.049 0.000 0.744 96 E HN -0.063 nan 8.360 nan 0.000 0.451 97 S N -0.084 115.595 115.700 -0.035 0.000 2.419 97 S HA -0.102 4.369 4.470 0.001 0.000 0.235 97 S C 1.764 176.296 174.600 -0.114 0.000 1.019 97 S CA 0.925 59.091 58.200 -0.057 0.000 0.982 97 S CB -0.174 63.006 63.200 -0.034 0.000 0.789 97 S HN 0.523 nan 8.310 nan 0.000 0.490 98 A N 0.130 122.836 122.820 -0.190 0.000 2.238 98 A HA 0.498 4.819 4.320 0.001 0.000 0.208 98 A C 1.530 178.932 177.584 -0.304 0.000 1.177 98 A CA 0.683 52.553 52.037 -0.279 0.000 0.804 98 A CB -0.716 18.021 19.000 -0.439 0.000 0.823 98 A HN 0.841 nan 8.150 nan 0.000 0.482 99 G N -1.287 107.368 108.800 -0.241 0.000 2.136 99 G HA2 -0.174 3.787 3.960 0.001 0.000 0.242 99 G HA3 -0.174 3.787 3.960 0.001 0.000 0.242 99 G C 0.449 175.194 174.900 -0.258 0.000 0.989 99 G CA 0.384 45.360 45.100 -0.207 0.000 0.682 99 G HN 1.265 nan 8.290 nan 0.000 0.522 100 S N -0.014 115.450 115.700 -0.393 0.000 3.524 100 S HA -0.145 4.325 4.470 0.001 0.000 0.377 100 S C -1.042 173.337 174.600 -0.369 0.000 0.949 100 S CA 0.955 58.901 58.200 -0.423 0.000 1.264 100 S CB -0.833 62.349 63.200 -0.031 0.000 0.918 100 S HN 1.014 nan 8.310 nan 0.000 0.517 101 P HA 0.172 nan 4.420 nan 0.000 0.269 101 P C -0.156 177.119 177.300 -0.040 0.000 1.215 101 P CA 0.126 63.032 63.100 -0.324 0.000 0.780 101 P CB 0.545 31.986 31.700 -0.432 0.000 0.898 102 E N 1.404 121.606 120.200 0.002 0.000 2.089 102 E HA 0.261 4.611 4.350 0.001 0.000 0.284 102 E C 0.121 176.756 176.600 0.058 0.000 1.023 102 E CA -0.508 55.934 56.400 0.071 0.000 0.819 102 E CB 0.920 30.644 29.700 0.041 0.000 1.076 102 E HN 0.262 nan 8.360 nan 0.000 0.396 103 V N -0.314 119.662 119.914 0.103 0.000 2.994 103 V HA 0.431 4.551 4.120 0.001 0.000 0.318 103 V C 0.261 176.422 176.094 0.110 0.000 1.085 103 V CA -1.227 61.136 62.300 0.104 0.000 0.998 103 V CB 2.093 33.938 31.823 0.036 0.000 1.063 103 V HN 0.312 nan 8.190 nan 0.000 0.447 104 D N 3.393 123.872 120.400 0.132 0.000 2.363 104 D HA 0.249 4.889 4.640 0.001 0.000 0.263 104 D C -1.523 174.878 176.300 0.168 0.000 1.258 104 D CA -1.721 52.354 54.000 0.124 0.000 0.907 104 D CB 1.765 42.634 40.800 0.115 0.000 1.107 104 D HN 0.423 nan 8.370 nan 0.000 0.495 105 P HA -0.089 nan 4.420 nan 0.000 0.220 105 P C 0.473 177.877 177.300 0.173 0.000 1.148 105 P CA 0.754 63.986 63.100 0.221 0.000 0.803 105 P CB 0.386 32.169 31.700 0.138 0.000 0.782 106 D N -1.054 119.416 120.400 0.116 0.000 2.363 106 D HA -0.020 4.620 4.640 0.001 0.000 0.220 106 D C 1.320 177.671 176.300 0.086 0.000 0.994 106 D CA 0.570 54.616 54.000 0.078 0.000 0.890 106 D CB -0.048 40.785 40.800 0.055 0.000 0.906 106 D HN 0.094 nan 8.370 nan 0.000 0.530 107 R N -0.041 120.537 120.500 0.130 0.000 2.577 107 R HA 0.149 4.490 4.340 0.001 0.000 0.344 107 R C -0.313 176.099 176.300 0.187 0.000 1.037 107 R CA -0.442 55.731 56.100 0.122 0.000 1.102 107 R CB 0.097 30.466 30.300 0.114 0.000 1.313 107 R HN 0.018 nan 8.270 nan 0.000 0.561 108 F N 1.546 121.504 119.950 0.013 0.000 2.402 108 F HA 0.678 5.205 4.527 0.001 0.000 0.355 108 F C -0.720 175.075 175.800 -0.008 0.000 1.123 108 F CA -2.296 55.711 58.000 0.013 0.000 1.021 108 F CB 1.043 40.065 39.000 0.037 0.000 1.160 108 F HN 0.007 nan 8.300 nan 0.000 0.451 109 A N 4.958 127.772 122.820 -0.010 0.000 2.322 109 A HA 0.876 5.196 4.320 0.001 0.000 0.327 109 A C -1.595 175.808 177.584 -0.301 0.000 1.134 109 A CA -0.700 51.219 52.037 -0.196 0.000 0.831 109 A CB 1.659 20.624 19.000 -0.058 0.000 1.288 109 A HN 0.538 nan 8.150 nan 0.000 0.472 110 V N 0.924 120.677 119.914 -0.269 0.000 2.531 110 V HA 0.517 4.638 4.120 0.001 0.000 0.301 110 V C -0.937 175.101 176.094 -0.093 0.000 1.034 110 V CA -0.393 61.791 62.300 -0.193 0.000 0.865 110 V CB 1.715 33.382 31.823 -0.261 0.000 0.995 110 V HN 0.667 nan 8.190 nan 0.000 0.424 111 V N 5.503 125.398 119.914 -0.031 0.000 2.419 111 V HA 0.533 4.653 4.120 0.001 0.000 0.287 111 V C -0.572 175.528 176.094 0.009 0.000 1.017 111 V CA -0.530 61.768 62.300 -0.004 0.000 0.844 111 V CB 1.714 33.562 31.823 0.042 0.000 1.011 111 V HN 0.566 nan 8.190 nan 0.000 0.429 112 V N 3.733 123.643 119.914 -0.008 0.000 2.483 112 V HA 0.777 4.897 4.120 0.001 0.000 0.297 112 V C 0.724 176.817 176.094 -0.002 0.000 1.027 112 V CA -0.277 62.022 62.300 -0.001 0.000 0.855 112 V CB 1.890 33.706 31.823 -0.012 0.000 0.995 112 V HN 0.876 nan 8.190 nan 0.000 0.424 113 G N 2.063 110.869 108.800 0.009 0.000 2.477 113 G HA2 0.676 4.636 3.960 0.001 0.000 0.304 113 G HA3 0.676 4.636 3.960 0.001 0.000 0.304 113 G C -0.474 174.430 174.900 0.006 0.000 1.175 113 G CA -0.290 44.813 45.100 0.005 0.000 0.907 113 G HN 0.740 nan 8.290 nan 0.000 0.509 114 T N -1.844 112.712 114.554 0.004 0.000 2.830 114 T HA 0.489 4.839 4.350 0.001 0.000 0.322 114 T C 1.257 175.964 174.700 0.011 0.000 1.501 114 T CA 0.546 62.653 62.100 0.011 0.000 1.036 114 T CB 1.091 69.969 68.868 0.016 0.000 1.379 114 T HN 0.811 nan 8.240 nan 0.000 0.493 115 G N 0.967 109.778 108.800 0.018 0.000 2.404 115 G HA2 0.085 4.046 3.960 0.001 0.000 0.215 115 G HA3 0.085 4.046 3.960 0.001 0.000 0.215 115 G C 1.089 176.010 174.900 0.034 0.000 1.174 115 G CA 0.998 46.117 45.100 0.031 0.000 0.780 115 G HN 0.562 nan 8.290 nan 0.000 0.537 116 L N -2.153 119.087 121.223 0.029 0.000 2.688 116 L HA 0.468 4.808 4.340 0.001 0.000 0.216 116 L C 1.184 178.064 176.870 0.016 0.000 1.036 116 L CA 0.913 55.767 54.840 0.023 0.000 0.906 116 L CB 0.707 42.782 42.059 0.025 0.000 1.501 116 L HN 0.532 nan 8.230 nan 0.000 0.489 117 G N -0.453 108.360 108.800 0.022 0.000 2.342 117 G HA2 -0.145 3.815 3.960 0.001 0.000 0.220 117 G HA3 -0.145 3.815 3.960 0.001 0.000 0.220 117 G C 0.174 175.094 174.900 0.033 0.000 1.243 117 G CA -0.413 44.700 45.100 0.022 0.000 1.083 117 G HN 0.314 nan 8.290 nan 0.000 0.500 118 G N 0.372 109.191 108.800 0.031 0.000 3.455 118 G HA2 0.593 4.554 3.960 0.001 0.000 0.250 118 G HA3 0.593 4.554 3.960 0.001 0.000 0.250 118 G C 1.265 176.185 174.900 0.033 0.000 1.071 118 G CA 1.437 46.563 45.100 0.043 0.000 1.812 118 G HN 1.800 nan 8.290 nan 0.000 0.643 119 A N 1.226 124.060 122.820 0.023 0.000 2.019 119 A HA -0.071 4.249 4.320 0.001 0.000 0.219 119 A C 2.262 179.853 177.584 0.011 0.000 1.164 119 A CA 1.594 53.636 52.037 0.008 0.000 0.644 119 A CB -0.053 18.945 19.000 -0.003 0.000 0.805 119 A HN 0.563 nan 8.150 nan 0.000 0.449 120 E N 0.009 120.222 120.200 0.022 0.000 2.265 120 E HA -0.219 4.132 4.350 0.001 0.000 0.196 120 E C 1.458 178.084 176.600 0.043 0.000 0.996 120 E CA 0.887 57.305 56.400 0.030 0.000 0.832 120 E CB -0.364 29.359 29.700 0.038 0.000 0.756 120 E HN 0.451 nan 8.360 nan 0.000 0.491 121 R N 0.447 120.973 120.500 0.043 0.000 2.161 121 R HA 0.211 4.551 4.340 0.001 0.000 0.213 121 R C 2.499 178.827 176.300 0.046 0.000 1.055 121 R CA 0.385 56.513 56.100 0.046 0.000 0.996 121 R CB -0.527 29.798 30.300 0.042 0.000 0.901 121 R HN 0.327 nan 8.270 nan 0.000 0.456 122 I N 0.916 121.506 120.570 0.033 0.000 2.142 122 I HA -0.254 3.916 4.170 0.001 0.000 0.240 122 I C 2.370 178.521 176.117 0.057 0.000 1.078 122 I CA 1.545 62.863 61.300 0.029 0.000 1.343 122 I CB -0.474 37.522 38.000 -0.007 0.000 1.046 122 I HN -0.063 nan 8.210 nan 0.000 0.405 123 V N -1.542 118.400 119.914 0.047 0.000 2.548 123 V HA -0.193 3.928 4.120 0.001 0.000 0.249 123 V C 2.240 178.424 176.094 0.150 0.000 1.055 123 V CA 1.729 64.084 62.300 0.092 0.000 1.065 123 V CB -0.811 31.040 31.823 0.048 0.000 0.681 123 V HN 0.510 nan 8.190 nan 0.000 0.462 124 E N 1.251 121.511 120.200 0.100 0.000 2.051 124 E HA -0.189 4.162 4.350 0.001 0.000 0.192 124 E C 2.245 178.898 176.600 0.089 0.000 0.991 124 E CA 1.755 58.207 56.400 0.088 0.000 0.799 124 E CB -0.147 29.592 29.700 0.066 0.000 0.748 124 E HN 0.697 nan 8.360 nan 0.000 0.449 125 S N -0.103 115.652 115.700 0.092 0.000 2.382 125 S HA -0.166 4.305 4.470 0.001 0.000 0.228 125 S C 1.579 176.248 174.600 0.114 0.000 1.027 125 S CA 1.139 59.390 58.200 0.084 0.000 0.991 125 S CB -0.483 62.761 63.200 0.073 0.000 0.823 125 S HN 0.454 nan 8.310 nan 0.000 0.469 126 Y N 2.511 122.817 120.300 0.011 0.000 2.145 126 Y HA -0.214 4.336 4.550 0.001 0.000 0.286 126 Y C 1.959 177.866 175.900 0.012 0.000 1.145 126 Y CA 1.746 59.852 58.100 0.010 0.000 1.148 126 Y CB -0.239 38.225 38.460 0.008 0.000 0.981 126 Y HN 0.130 nan 8.280 nan 0.000 0.507 127 D N 0.119 120.534 120.400 0.026 0.000 2.117 127 D HA -0.158 4.482 4.640 0.001 0.000 0.197 127 D C 2.101 178.361 176.300 -0.067 0.000 0.987 127 D CA 1.007 54.968 54.000 -0.065 0.000 0.829 127 D CB -0.258 40.565 40.800 0.037 0.000 0.961 127 D HN 0.281 nan 8.370 nan 0.000 0.460 128 L N 0.412 121.624 121.223 -0.018 0.000 2.017 128 L HA -0.078 4.263 4.340 0.001 0.000 0.208 128 L C 2.404 179.253 176.870 -0.035 0.000 1.073 128 L CA 1.366 56.197 54.840 -0.014 0.000 0.745 128 L CB -0.926 41.138 42.059 0.009 0.000 0.894 128 L HN 0.111 nan 8.230 nan 0.000 0.432 129 M N -1.126 118.448 119.600 -0.044 0.000 2.200 129 M HA -0.171 4.310 4.480 0.001 0.000 0.265 129 M C 1.822 178.068 176.300 -0.090 0.000 1.066 129 M CA 1.296 56.566 55.300 -0.049 0.000 1.127 129 M CB -0.097 32.487 32.600 -0.026 0.000 1.379 129 M HN 0.236 nan 8.290 nan 0.000 0.420 130 N N 0.947 119.546 118.700 -0.168 0.000 2.166 130 N HA -0.071 4.670 4.740 0.001 0.000 0.186 130 N C 1.594 177.036 175.510 -0.113 0.000 1.019 130 N CA 1.749 54.684 53.050 -0.192 0.000 0.856 130 N CB -0.385 37.895 38.487 -0.345 0.000 0.993 130 N HN 0.491 nan 8.380 nan 0.000 0.426 131 A N -0.664 122.103 122.820 -0.089 0.000 1.975 131 A HA 0.290 4.610 4.320 0.001 0.000 0.215 131 A C 1.843 179.404 177.584 -0.037 0.000 1.170 131 A CA 1.387 53.392 52.037 -0.054 0.000 0.656 131 A CB -0.153 18.823 19.000 -0.040 0.000 0.821 131 A HN 0.344 nan 8.150 nan 0.000 0.449 132 G N -2.202 106.577 108.800 -0.035 0.000 3.581 132 G HA2 0.511 4.471 3.960 0.001 0.000 0.248 132 G HA3 0.511 4.471 3.960 0.001 0.000 0.248 132 G C 0.678 175.566 174.900 -0.019 0.000 1.037 132 G CA 0.573 45.659 45.100 -0.022 0.000 0.902 132 G HN 1.605 nan 8.290 nan 0.000 0.512 133 G N 0.474 109.260 108.800 -0.025 0.000 2.710 133 G HA2 -0.051 3.909 3.960 0.001 0.000 0.668 133 G HA3 -0.051 3.909 3.960 0.001 0.000 0.668 133 G C -1.422 173.471 174.900 -0.011 0.000 1.320 133 G CA -0.155 44.934 45.100 -0.018 0.000 0.860 133 G HN 0.030 nan 8.290 nan 0.000 0.538 134 P HA -0.054 nan 4.420 nan 0.000 0.218 134 P C 1.544 178.845 177.300 0.003 0.000 1.149 134 P CA 1.221 64.321 63.100 0.001 0.000 0.817 134 P CB -0.024 31.677 31.700 0.002 0.000 0.785 135 R N -0.405 120.095 120.500 0.001 0.000 2.323 135 R HA 0.052 4.393 4.340 0.001 0.000 0.198 135 R C 1.428 177.729 176.300 0.003 0.000 0.988 135 R CA 0.477 56.578 56.100 0.002 0.000 1.041 135 R CB -0.174 30.127 30.300 0.001 0.000 0.926 135 R HN 0.105 nan 8.270 nan 0.000 0.476 136 K N 0.430 120.831 120.400 0.001 0.000 2.400 136 K HA 0.105 4.425 4.320 0.001 0.000 0.194 136 K C 0.522 177.127 176.600 0.008 0.000 1.033 136 K CA 0.216 56.505 56.287 0.003 0.000 1.021 136 K CB 0.236 32.735 32.500 -0.002 0.000 0.808 136 K HN -0.067 nan 8.250 nan 0.000 0.505 137 V N 2.013 121.933 119.914 0.011 0.000 2.555 137 V HA 0.057 4.177 4.120 0.001 0.000 0.286 137 V C 0.744 176.847 176.094 0.015 0.000 1.044 137 V CA -0.521 61.790 62.300 0.017 0.000 1.026 137 V CB 1.248 33.083 31.823 0.021 0.000 0.981 137 V HN 0.119 nan 8.190 nan 0.000 0.480 138 S N 5.659 121.369 115.700 0.017 0.000 2.564 138 S HA 0.228 4.699 4.470 0.001 0.000 0.278 138 S C -1.243 173.364 174.600 0.012 0.000 1.333 138 S CA -0.979 57.230 58.200 0.014 0.000 1.048 138 S CB 0.995 64.204 63.200 0.016 0.000 0.900 138 S HN 0.650 nan 8.310 nan 0.000 0.505 139 P HA 0.001 nan 4.420 nan 0.000 0.223 139 P C 0.604 177.907 177.300 0.006 0.000 1.144 139 P CA 0.966 64.070 63.100 0.007 0.000 0.783 139 P CB 0.040 31.743 31.700 0.005 0.000 0.771 140 L N -2.350 118.877 121.223 0.008 0.000 2.592 140 L HA 0.202 4.542 4.340 0.001 0.000 0.227 140 L C 2.153 179.030 176.870 0.011 0.000 1.127 140 L CA 0.160 55.004 54.840 0.008 0.000 0.884 140 L CB -0.618 41.446 42.059 0.008 0.000 1.065 140 L HN -0.064 nan 8.230 nan 0.000 0.457 141 A N 0.520 123.348 122.820 0.014 0.000 1.858 141 A HA -0.136 4.184 4.320 0.001 0.000 0.216 141 A C 2.308 179.901 177.584 0.015 0.000 1.190 141 A CA 1.676 53.724 52.037 0.018 0.000 0.617 141 A CB -0.668 18.346 19.000 0.023 0.000 0.827 141 A HN 0.136 nan 8.150 nan 0.000 0.443 142 V N 1.516 121.436 119.914 0.010 0.000 2.252 142 V HA -0.384 3.736 4.120 0.001 0.000 0.249 142 V C 2.861 178.956 176.094 0.003 0.000 1.056 142 V CA 2.473 64.777 62.300 0.006 0.000 1.022 142 V CB -1.171 30.654 31.823 0.003 0.000 0.641 142 V HN 0.918 nan 8.190 nan 0.000 0.445 143 Q N -0.613 119.187 119.800 0.000 0.000 2.291 143 Q HA -0.169 4.171 4.340 0.001 0.000 0.205 143 Q C 2.002 178.002 176.000 -0.001 0.000 0.970 143 Q CA 1.793 57.594 55.803 -0.004 0.000 0.876 143 Q CB -0.286 28.448 28.738 -0.007 0.000 0.935 143 Q HN 0.578 nan 8.270 nan 0.000 0.455 144 M N -0.173 119.431 119.600 0.006 0.000 2.388 144 M HA 0.077 4.557 4.480 0.001 0.000 0.265 144 M C 1.832 178.142 176.300 0.016 0.000 1.088 144 M CA 0.825 56.132 55.300 0.012 0.000 1.134 144 M CB 0.185 32.797 32.600 0.020 0.000 1.384 144 M HN 0.214 nan 8.290 nan 0.000 0.447 145 I N 0.456 121.034 120.570 0.013 0.000 2.400 145 I HA -0.073 4.097 4.170 0.001 0.000 0.248 145 I C 1.351 177.472 176.117 0.007 0.000 1.109 145 I CA -0.004 61.304 61.300 0.013 0.000 1.425 145 I CB 0.012 38.020 38.000 0.013 0.000 1.094 145 I HN 0.303 nan 8.210 nan 0.000 0.425 146 M N 2.287 121.887 119.600 0.001 0.000 2.286 146 M HA 0.031 4.512 4.480 0.001 0.000 0.365 146 M C -1.956 174.340 176.300 -0.006 0.000 1.443 146 M CA -0.739 54.558 55.300 -0.005 0.000 0.951 146 M CB -0.327 32.267 32.600 -0.010 0.000 1.961 146 M HN -0.198 nan 8.290 nan 0.000 0.468 147 P HA -0.136 nan 4.420 nan 0.000 0.222 147 P C 0.634 177.926 177.300 -0.013 0.000 1.147 147 P CA 1.338 64.435 63.100 -0.006 0.000 0.790 147 P CB -0.318 31.378 31.700 -0.007 0.000 0.780 148 N N -0.505 118.182 118.700 -0.021 0.000 2.521 148 N HA -0.037 4.704 4.740 0.001 0.000 0.188 148 N C 1.780 177.271 175.510 -0.031 0.000 1.146 148 N CA 1.004 54.036 53.050 -0.030 0.000 0.893 148 N CB -1.339 37.126 38.487 -0.037 0.000 0.975 148 N HN 0.081 nan 8.380 nan 0.000 0.451 149 G N 1.177 109.964 108.800 -0.022 0.000 2.476 149 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 149 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 149 G C 1.694 176.577 174.900 -0.028 0.000 1.164 149 G CA 1.620 46.707 45.100 -0.022 0.000 0.768 149 G HN 0.546 nan 8.290 nan 0.000 0.560 150 A N 1.192 123.998 122.820 -0.023 0.000 1.858 150 A HA 0.247 4.567 4.320 0.001 0.000 0.216 150 A C 2.883 180.441 177.584 -0.043 0.000 1.190 150 A CA 2.529 54.548 52.037 -0.030 0.000 0.617 150 A CB -1.021 17.968 19.000 -0.019 0.000 0.827 150 A HN 0.945 nan 8.150 nan 0.000 0.443 151 A N -0.070 122.723 122.820 -0.044 0.000 1.892 151 A HA 0.050 4.370 4.320 0.001 0.000 0.218 151 A C 2.537 180.072 177.584 -0.082 0.000 1.188 151 A CA 2.556 54.556 52.037 -0.062 0.000 0.631 151 A CB -1.167 17.798 19.000 -0.060 0.000 0.822 151 A HN 1.175 nan 8.150 nan 0.000 0.447 152 A N -0.791 121.986 122.820 -0.070 0.000 1.908 152 A HA -0.038 4.282 4.320 0.001 0.000 0.218 152 A C 2.260 179.797 177.584 -0.078 0.000 1.181 152 A CA 1.878 53.870 52.037 -0.075 0.000 0.627 152 A CB -1.016 17.949 19.000 -0.058 0.000 0.818 152 A HN 0.433 nan 8.150 nan 0.000 0.445 153 V N 0.114 119.988 119.914 -0.066 0.000 2.343 153 V HA -0.278 3.842 4.120 0.001 0.000 0.247 153 V C 2.429 178.473 176.094 -0.083 0.000 1.051 153 V CA 2.126 64.388 62.300 -0.064 0.000 1.036 153 V CB -0.603 31.190 31.823 -0.052 0.000 0.654 153 V HN 0.586 nan 8.190 nan 0.000 0.451 154 I N 0.334 120.850 120.570 -0.090 0.000 2.179 154 I HA -0.155 4.016 4.170 0.001 0.000 0.242 154 I C 2.605 178.622 176.117 -0.167 0.000 1.088 154 I CA 1.679 62.914 61.300 -0.108 0.000 1.357 154 I CB -0.962 36.987 38.000 -0.086 0.000 1.051 154 I HN 0.399 nan 8.210 nan 0.000 0.409 155 G N 0.957 109.644 108.800 -0.189 0.000 2.440 155 G HA2 -0.264 3.696 3.960 0.001 0.000 0.218 155 G HA3 -0.264 3.696 3.960 0.001 0.000 0.218 155 G C 1.637 176.418 174.900 -0.198 0.000 1.154 155 G CA 0.641 45.589 45.100 -0.255 0.000 0.767 155 G HN 0.221 nan 8.290 nan 0.000 0.552 156 L N 0.375 121.516 121.223 -0.136 0.000 2.056 156 L HA 0.015 4.355 4.340 0.001 0.000 0.207 156 L C 2.868 179.678 176.870 -0.101 0.000 1.078 156 L CA 2.325 57.104 54.840 -0.102 0.000 0.749 156 L CB -0.672 41.341 42.059 -0.075 0.000 0.901 156 L HN 0.430 nan 8.230 nan 0.000 0.433 157 Q N -0.804 118.930 119.800 -0.110 0.000 2.096 157 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 157 Q C 1.978 177.880 176.000 -0.164 0.000 0.982 157 Q CA 2.063 57.799 55.803 -0.112 0.000 0.850 157 Q CB -0.105 28.571 28.738 -0.103 0.000 0.901 157 Q HN 0.589 nan 8.270 nan 0.000 0.422 158 L N -1.730 119.364 121.223 -0.215 0.000 2.463 158 L HA 0.260 4.600 4.340 0.001 0.000 0.219 158 L C 1.151 177.950 176.870 -0.119 0.000 1.088 158 L CA 0.510 55.156 54.840 -0.325 0.000 0.849 158 L CB 0.445 42.256 42.059 -0.414 0.000 1.012 158 L HN 0.537 nan 8.230 nan 0.000 0.468 159 G N 0.734 109.484 108.800 -0.084 0.000 2.141 159 G HA2 -0.168 3.792 3.960 0.001 0.000 0.195 159 G HA3 -0.168 3.792 3.960 0.001 0.000 0.195 159 G C 0.214 175.122 174.900 0.013 0.000 1.012 159 G CA -0.140 44.960 45.100 -0.000 0.000 0.696 159 G HN 0.399 nan 8.290 nan 0.000 0.508 160 A N 0.071 122.714 122.820 -0.294 0.000 2.396 160 A HA 0.729 5.050 4.320 0.001 0.000 0.279 160 A C 1.135 178.574 177.584 -0.241 0.000 1.165 160 A CA 0.236 51.939 52.037 -0.557 0.000 0.824 160 A CB 0.193 18.521 19.000 -1.121 0.000 1.100 160 A HN 0.485 nan 8.150 nan 0.000 0.516 161 R N 2.341 122.779 120.500 -0.104 0.000 2.476 161 R HA 0.196 4.537 4.340 0.001 0.000 0.276 161 R C 0.996 177.272 176.300 -0.041 0.000 0.941 161 R CA 0.640 56.707 56.100 -0.055 0.000 1.088 161 R CB 0.792 31.087 30.300 -0.007 0.000 1.216 161 R HN 0.697 nan 8.270 nan 0.000 0.533 162 A N 1.133 123.925 122.820 -0.047 0.000 2.462 162 A HA 0.459 4.779 4.320 0.001 0.000 0.261 162 A C 0.422 177.970 177.584 -0.060 0.000 1.323 162 A CA 0.304 52.323 52.037 -0.030 0.000 0.913 162 A CB 0.205 19.213 19.000 0.013 0.000 1.028 162 A HN 0.288 nan 8.150 nan 0.000 0.511 163 G N -1.399 107.347 108.800 -0.091 0.000 2.931 163 G HA2 0.243 4.203 3.960 0.001 0.000 0.675 163 G HA3 0.243 4.203 3.960 0.001 0.000 0.675 163 G C -1.130 173.695 174.900 -0.126 0.000 1.339 163 G CA -0.412 44.633 45.100 -0.091 0.000 0.866 163 G HN 0.779 nan 8.290 nan 0.000 0.616 164 V N 4.109 123.954 119.914 -0.114 0.000 2.409 164 V HA 0.785 4.905 4.120 0.001 0.000 0.290 164 V C 0.417 176.456 176.094 -0.092 0.000 1.017 164 V CA -0.493 61.735 62.300 -0.121 0.000 0.841 164 V CB 1.604 33.350 31.823 -0.128 0.000 1.003 164 V HN 0.991 nan 8.190 nan 0.000 0.426 165 M N 4.063 123.613 119.600 -0.084 0.000 2.535 165 M HA 0.667 5.147 4.480 0.001 0.000 0.314 165 M C -1.033 175.226 176.300 -0.068 0.000 1.153 165 M CA -0.079 55.171 55.300 -0.082 0.000 0.924 165 M CB 2.498 35.042 32.600 -0.092 0.000 1.710 165 M HN 0.572 nan 8.290 nan 0.000 0.451 166 T N 4.599 119.109 114.554 -0.073 0.000 3.009 166 T HA 0.484 4.834 4.350 0.001 0.000 0.346 166 T C -2.712 171.949 174.700 -0.066 0.000 1.092 166 T CA -0.893 61.175 62.100 -0.054 0.000 1.080 166 T CB 0.844 69.686 68.868 -0.043 0.000 1.037 166 T HN 0.463 nan 8.240 nan 0.000 0.487 167 P HA 0.424 nan 4.420 nan 0.000 0.292 167 P C -0.478 176.798 177.300 -0.041 0.000 1.287 167 P CA -0.659 62.406 63.100 -0.058 0.000 0.800 167 P CB 1.077 32.782 31.700 0.008 0.000 0.945 168 V N 0.876 120.755 119.914 -0.059 0.000 2.347 168 V HA 0.674 4.794 4.120 0.001 0.000 0.280 168 V C 0.186 176.198 176.094 -0.137 0.000 1.021 168 V CA -0.341 61.923 62.300 -0.061 0.000 0.847 168 V CB 1.163 32.968 31.823 -0.031 0.000 0.990 168 V HN 0.586 nan 8.190 nan 0.000 0.444 169 S N 3.377 118.978 115.700 -0.164 0.000 2.794 169 S HA 0.765 5.236 4.470 0.001 0.000 0.244 169 S C 0.674 175.236 174.600 -0.063 0.000 1.045 169 S CA 0.344 58.327 58.200 -0.362 0.000 1.114 169 S CB 0.302 63.178 63.200 -0.540 0.000 1.085 169 S HN 2.574 nan 8.310 nan 0.000 0.488 170 A N 2.330 125.162 122.820 0.020 0.000 5.308 170 A HA -0.395 3.925 4.320 0.001 0.000 0.321 170 A C 1.352 178.952 177.584 0.027 0.000 1.849 170 A CA 1.830 53.907 52.037 0.066 0.000 0.713 170 A CB -1.865 17.227 19.000 0.153 0.000 1.360 170 A HN 0.612 nan 8.150 nan 0.000 0.384 171 Q N 0.670 120.479 119.800 0.015 0.000 2.488 171 Q HA 0.125 4.466 4.340 0.001 0.000 0.211 171 Q C 1.911 177.954 176.000 0.071 0.000 0.967 171 Q CA 1.535 57.380 55.803 0.069 0.000 0.926 171 Q CB -0.152 28.666 28.738 0.134 0.000 0.992 171 Q HN 1.020 nan 8.270 nan 0.000 0.506 172 S N -2.106 113.596 115.700 0.003 0.000 2.556 172 S HA 0.163 4.633 4.470 0.001 0.000 0.216 172 S C 1.528 176.106 174.600 -0.035 0.000 0.970 172 S CA -0.093 58.073 58.200 -0.057 0.000 0.912 172 S CB 0.305 63.461 63.200 -0.074 0.000 0.790 172 S HN 0.098 nan 8.310 nan 0.000 0.504 173 S N 2.311 118.001 115.700 -0.017 0.000 2.374 173 S HA -0.057 4.413 4.470 0.001 0.000 0.227 173 S C 2.102 176.704 174.600 0.002 0.000 1.037 173 S CA 1.571 59.763 58.200 -0.014 0.000 1.024 173 S CB -1.079 62.117 63.200 -0.008 0.000 0.861 173 S HN 0.758 nan 8.310 nan 0.000 0.456 174 G N 0.762 109.566 108.800 0.007 0.000 2.408 174 G HA2 -0.135 3.826 3.960 0.001 0.000 0.217 174 G HA3 -0.135 3.826 3.960 0.001 0.000 0.217 174 G C 1.545 176.452 174.900 0.013 0.000 1.150 174 G CA 1.022 46.131 45.100 0.015 0.000 0.776 174 G HN 0.525 nan 8.290 nan 0.000 0.542 175 S N -0.227 115.468 115.700 -0.008 0.000 2.387 175 S HA -0.018 4.452 4.470 0.001 0.000 0.226 175 S C 2.065 176.644 174.600 -0.035 0.000 1.026 175 S CA 0.992 59.178 58.200 -0.024 0.000 0.972 175 S CB -0.052 63.106 63.200 -0.070 0.000 0.814 175 S HN 0.590 nan 8.310 nan 0.000 0.477 176 E N 1.200 121.383 120.200 -0.028 0.000 2.106 176 E HA -0.106 4.245 4.350 0.001 0.000 0.192 176 E C 2.141 178.776 176.600 0.059 0.000 0.984 176 E CA 0.807 57.195 56.400 -0.019 0.000 0.806 176 E CB -0.176 29.537 29.700 0.021 0.000 0.750 176 E HN 0.463 nan 8.360 nan 0.000 0.458 177 A N 1.172 124.037 122.820 0.076 0.000 1.892 177 A HA -0.223 4.098 4.320 0.001 0.000 0.218 177 A C 2.119 179.755 177.584 0.087 0.000 1.188 177 A CA 1.607 53.701 52.037 0.095 0.000 0.631 177 A CB -0.698 18.335 19.000 0.056 0.000 0.822 177 A HN 0.315 nan 8.150 nan 0.000 0.447 178 I N -0.414 120.189 120.570 0.055 0.000 2.315 178 I HA -0.239 3.932 4.170 0.001 0.000 0.248 178 I C 2.956 179.092 176.117 0.032 0.000 1.117 178 I CA 0.846 62.181 61.300 0.059 0.000 1.404 178 I CB -0.384 37.657 38.000 0.068 0.000 1.071 178 I HN 0.365 nan 8.210 nan 0.000 0.419 179 A N 0.563 123.353 122.820 -0.051 0.000 1.873 179 A HA -0.268 4.053 4.320 0.001 0.000 0.218 179 A C 2.211 179.769 177.584 -0.044 0.000 1.193 179 A CA 1.814 53.782 52.037 -0.115 0.000 0.629 179 A CB -1.000 17.845 19.000 -0.259 0.000 0.826 179 A HN 0.438 nan 8.150 nan 0.000 0.447 180 H N -0.781 118.326 119.070 0.062 0.000 2.495 180 H HA 0.102 4.658 4.556 0.001 0.000 0.287 180 H C 2.441 177.794 175.328 0.042 0.000 1.033 180 H CA 1.121 57.197 56.048 0.047 0.000 1.307 180 H CB -0.296 29.474 29.762 0.012 0.000 1.401 180 H HN 0.560 nan 8.280 nan 0.000 0.555 181 A N 0.614 123.529 122.820 0.159 0.000 1.897 181 A HA -0.152 4.168 4.320 0.001 0.000 0.215 181 A C 2.327 179.975 177.584 0.107 0.000 1.181 181 A CA 0.986 53.089 52.037 0.111 0.000 0.620 181 A CB -0.988 18.077 19.000 0.107 0.000 0.821 181 A HN 0.522 nan 8.150 nan 0.000 0.443 182 W N 1.036 122.299 121.300 -0.061 0.000 2.335 182 W HA -0.206 4.455 4.660 0.001 0.000 0.311 182 W C 2.329 178.775 176.519 -0.122 0.000 1.213 182 W CA 2.135 59.416 57.345 -0.106 0.000 1.274 182 W CB -0.180 29.180 29.460 -0.167 0.000 1.148 182 W HN 0.239 nan 8.180 nan 0.000 0.498 183 R N -0.349 120.109 120.500 -0.070 0.000 2.091 183 R HA -0.215 4.126 4.340 0.001 0.000 0.238 183 R C 2.333 178.493 176.300 -0.234 0.000 1.136 183 R CA 1.645 57.587 56.100 -0.264 0.000 0.959 183 R CB -0.827 29.463 30.300 -0.017 0.000 0.856 183 R HN 0.244 nan 8.270 nan 0.000 0.437 184 Q N 0.540 120.281 119.800 -0.098 0.000 2.135 184 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 184 Q C 2.160 178.093 176.000 -0.113 0.000 0.981 184 Q CA 1.473 57.233 55.803 -0.071 0.000 0.856 184 Q CB -0.078 28.648 28.738 -0.021 0.000 0.902 184 Q HN 0.440 nan 8.270 nan 0.000 0.425 185 I N 0.039 120.512 120.570 -0.162 0.000 2.193 185 I HA -0.200 3.971 4.170 0.001 0.000 0.240 185 I C 2.361 178.332 176.117 -0.244 0.000 1.084 185 I CA 0.946 62.145 61.300 -0.169 0.000 1.365 185 I CB -0.409 37.505 38.000 -0.143 0.000 1.064 185 I HN 0.039 nan 8.210 nan 0.000 0.410 186 V N -1.566 118.060 119.914 -0.479 0.000 2.515 186 V HA -0.207 3.914 4.120 0.001 0.000 0.250 186 V C 2.115 178.077 176.094 -0.221 0.000 1.058 186 V CA 1.489 63.511 62.300 -0.464 0.000 1.064 186 V CB -0.742 30.463 31.823 -1.031 0.000 0.675 186 V HN 0.369 nan 8.190 nan 0.000 0.461 187 M N 0.682 120.153 119.600 -0.215 0.000 2.659 187 M HA 0.261 4.741 4.480 0.001 0.000 0.243 187 M C 1.629 177.895 176.300 -0.057 0.000 1.111 187 M CA 1.092 56.335 55.300 -0.095 0.000 1.070 187 M CB -0.068 32.482 32.600 -0.083 0.000 1.525 187 M HN 0.739 nan 8.290 nan 0.000 0.517 188 G N 0.391 109.152 108.800 -0.066 0.000 2.141 188 G HA2 -0.213 3.747 3.960 0.001 0.000 0.242 188 G HA3 -0.213 3.747 3.960 0.001 0.000 0.242 188 G C 0.336 175.222 174.900 -0.023 0.000 0.982 188 G CA 0.325 45.406 45.100 -0.033 0.000 0.662 188 G HN 0.467 nan 8.290 nan 0.000 0.527 189 D N 0.187 120.567 120.400 -0.033 0.000 2.305 189 D HA 0.393 5.034 4.640 0.001 0.000 0.206 189 D C 1.322 177.618 176.300 -0.007 0.000 0.974 189 D CA 1.439 55.428 54.000 -0.019 0.000 0.871 189 D CB 0.464 41.248 40.800 -0.026 0.000 0.947 189 D HN 0.881 nan 8.370 nan 0.000 0.516 190 A N 0.178 122.991 122.820 -0.010 0.000 2.587 190 A HA 0.326 4.647 4.320 0.001 0.000 0.293 190 A C -0.246 177.339 177.584 0.003 0.000 1.087 190 A CA -0.520 51.525 52.037 0.014 0.000 0.692 190 A CB 2.054 21.067 19.000 0.022 0.000 1.291 190 A HN -0.171 nan 8.150 nan 0.000 0.407 191 D N -0.593 119.813 120.400 0.011 0.000 2.380 191 D HA 0.219 4.859 4.640 0.001 0.000 0.212 191 D C -0.075 176.128 176.300 -0.162 0.000 1.021 191 D CA 1.285 55.265 54.000 -0.033 0.000 0.884 191 D CB 0.912 41.736 40.800 0.039 0.000 1.001 191 D HN 0.640 nan 8.370 nan 0.000 0.506 192 V N -0.130 119.721 119.914 -0.105 0.000 2.932 192 V HA 0.790 4.911 4.120 0.001 0.000 0.307 192 V C -1.921 174.279 176.094 0.177 0.000 1.147 192 V CA -0.323 61.913 62.300 -0.107 0.000 0.951 192 V CB 1.665 33.281 31.823 -0.345 0.000 1.031 192 V HN 0.133 nan 8.190 nan 0.000 0.426 193 A N 5.158 128.097 122.820 0.197 0.000 2.427 193 A HA 0.791 5.112 4.320 0.001 0.000 0.298 193 A C -1.189 176.564 177.584 0.281 0.000 1.036 193 A CA -0.481 51.704 52.037 0.247 0.000 0.701 193 A CB 1.901 20.974 19.000 0.121 0.000 1.250 193 A HN 1.158 nan 8.150 nan 0.000 0.412 194 V N 1.727 121.845 119.914 0.340 0.000 2.530 194 V HA 0.477 4.597 4.120 0.001 0.000 0.282 194 V C 0.283 176.447 176.094 0.117 0.000 1.048 194 V CA 0.139 62.587 62.300 0.247 0.000 0.997 194 V CB 0.293 32.282 31.823 0.277 0.000 0.987 194 V HN 1.372 nan 8.190 nan 0.000 0.477 195 C N 2.736 122.100 119.300 0.106 0.000 3.082 195 C HA 1.058 5.518 4.460 0.001 0.000 0.324 195 C C 0.176 175.206 174.990 0.067 0.000 1.210 195 C CA 0.005 59.068 59.018 0.076 0.000 1.366 195 C CB 1.006 28.797 27.740 0.086 0.000 1.756 195 C HN 1.392 nan 8.230 nan 0.000 0.485 196 G N 0.424 109.255 108.800 0.050 0.000 2.441 196 G HA2 0.711 4.672 3.960 0.001 0.000 0.222 196 G HA3 0.711 4.672 3.960 0.001 0.000 0.222 196 G C -0.590 174.328 174.900 0.030 0.000 1.254 196 G CA 0.367 45.493 45.100 0.042 0.000 0.959 196 G HN 2.297 nan 8.290 nan 0.000 0.474 197 G N -1.295 107.520 108.800 0.024 0.000 2.718 197 G HA2 0.872 4.832 3.960 0.001 0.000 0.295 197 G HA3 0.872 4.832 3.960 0.001 0.000 0.295 197 G C -0.871 174.041 174.900 0.020 0.000 1.421 197 G CA 0.479 45.591 45.100 0.020 0.000 0.902 197 G HN 1.918 nan 8.290 nan 0.000 0.501 198 V N -2.027 117.900 119.914 0.022 0.000 3.102 198 V HA 1.015 5.135 4.120 0.001 0.000 0.312 198 V C -0.956 175.165 176.094 0.044 0.000 1.135 198 V CA -1.198 61.121 62.300 0.032 0.000 1.022 198 V CB 2.026 33.862 31.823 0.021 0.000 1.056 198 V HN 0.920 nan 8.190 nan 0.000 0.436 199 E N 0.083 120.329 120.200 0.076 0.000 2.380 199 E HA 0.636 4.986 4.350 0.001 0.000 0.281 199 E C -0.041 176.636 176.600 0.128 0.000 0.999 199 E CA 0.275 56.712 56.400 0.062 0.000 0.800 199 E CB 1.810 31.511 29.700 0.001 0.000 1.228 199 E HN 1.301 nan 8.360 nan 0.000 0.436 200 G N 2.303 111.135 108.800 0.053 0.000 2.716 200 G HA2 0.401 4.361 3.960 0.001 0.000 0.251 200 G HA3 0.401 4.361 3.960 0.001 0.000 0.251 200 G C -2.111 172.653 174.900 -0.226 0.000 1.224 200 G CA -0.668 44.382 45.100 -0.084 0.000 0.891 200 G HN 0.448 nan 8.290 nan 0.000 0.561 201 P HA 0.332 nan 4.420 nan 0.000 0.278 201 P C -0.032 177.146 177.300 -0.205 0.000 1.266 201 P CA -0.723 62.211 63.100 -0.276 0.000 0.807 201 P CB 0.957 32.446 31.700 -0.353 0.000 1.094 202 I N 1.029 121.540 120.570 -0.098 0.000 2.741 202 I HA 0.043 4.214 4.170 0.001 0.000 0.288 202 I C 1.176 177.374 176.117 0.135 0.000 1.192 202 I CA 1.147 62.415 61.300 -0.053 0.000 1.426 202 I CB -0.218 37.806 38.000 0.040 0.000 1.367 202 I HN 0.235 nan 8.210 nan 0.000 0.563 203 E N 3.536 123.746 120.200 0.016 0.000 2.433 203 E HA 0.452 4.802 4.350 0.001 0.000 0.278 203 E C 0.233 176.631 176.600 -0.337 0.000 0.976 203 E CA -0.497 55.867 56.400 -0.060 0.000 0.793 203 E CB 1.938 31.605 29.700 -0.055 0.000 1.311 203 E HN 0.477 nan 8.360 nan 0.000 0.460 204 A N 1.142 123.546 122.820 -0.694 0.000 1.902 204 A HA -0.172 4.149 4.320 0.001 0.000 0.217 204 A C 1.864 179.145 177.584 -0.505 0.000 1.181 204 A CA 1.632 53.188 52.037 -0.801 0.000 0.623 204 A CB -0.356 18.051 19.000 -0.988 0.000 0.818 204 A HN 0.406 nan 8.150 nan 0.000 0.443 205 L N 0.218 121.209 121.223 -0.386 0.000 2.056 205 L HA 0.021 4.361 4.340 0.001 0.000 0.207 205 L C -0.783 176.022 176.870 -0.110 0.000 1.078 205 L CA 1.982 56.655 54.840 -0.278 0.000 0.749 205 L CB -1.143 40.782 42.059 -0.223 0.000 0.901 205 L HN 0.147 nan 8.230 nan 0.000 0.433 206 P HA -0.129 nan 4.420 nan 0.000 0.216 206 P C 2.118 179.659 177.300 0.402 0.000 1.153 206 P CA 1.612 64.832 63.100 0.200 0.000 0.848 206 P CB 0.009 31.768 31.700 0.097 0.000 0.787 207 I N -0.553 120.179 120.570 0.270 0.000 2.163 207 I HA -0.286 3.884 4.170 0.001 0.000 0.243 207 I C 2.347 178.530 176.117 0.109 0.000 1.085 207 I CA 1.587 63.047 61.300 0.265 0.000 1.347 207 I CB -0.809 37.266 38.000 0.124 0.000 1.044 207 I HN -0.086 nan 8.210 nan 0.000 0.408 208 A N 0.720 123.529 122.820 -0.018 0.000 1.865 208 A HA -0.214 4.107 4.320 0.001 0.000 0.217 208 A C 2.554 180.126 177.584 -0.020 0.000 1.191 208 A CA 2.076 54.073 52.037 -0.066 0.000 0.623 208 A CB -1.028 17.861 19.000 -0.185 0.000 0.826 208 A HN 0.436 nan 8.150 nan 0.000 0.444 209 A N -1.128 121.687 122.820 -0.008 0.000 1.865 209 A HA -0.065 4.255 4.320 0.001 0.000 0.217 209 A C 2.008 179.571 177.584 -0.035 0.000 1.191 209 A CA 1.727 53.733 52.037 -0.052 0.000 0.623 209 A CB -0.862 18.073 19.000 -0.108 0.000 0.826 209 A HN 0.482 nan 8.150 nan 0.000 0.444 210 F N 1.026 121.035 119.950 0.099 0.000 2.186 210 F HA -0.145 4.382 4.527 0.000 0.000 0.299 210 F C 2.963 178.753 175.800 -0.017 0.000 1.090 210 F CA 1.668 59.742 58.000 0.123 0.000 1.307 210 F CB -0.216 38.912 39.000 0.214 0.000 1.019 210 F HN 0.357 nan 8.300 nan 0.000 0.489 211 S N -0.834 114.921 115.700 0.093 0.000 2.428 211 S HA -0.141 4.330 4.470 0.001 0.000 0.230 211 S C 1.968 176.558 174.600 -0.017 0.000 1.014 211 S CA 0.610 58.792 58.200 -0.029 0.000 0.957 211 S CB -0.341 62.821 63.200 -0.063 0.000 0.784 211 S HN 0.148 nan 8.310 nan 0.000 0.499 212 M N 1.377 120.973 119.600 -0.007 0.000 2.279 212 M HA 0.197 4.677 4.480 0.001 0.000 0.264 212 M C 1.895 178.184 176.300 -0.018 0.000 1.062 212 M CA 1.088 56.375 55.300 -0.022 0.000 1.099 212 M CB -1.296 31.282 32.600 -0.036 0.000 1.394 212 M HN 0.439 nan 8.290 nan 0.000 0.426 213 M N -0.933 118.668 119.600 0.002 0.000 2.619 213 M HA -0.014 4.466 4.480 0.001 0.000 0.251 213 M C 0.143 176.452 176.300 0.015 0.000 1.106 213 M CA 0.388 55.694 55.300 0.010 0.000 1.086 213 M CB -0.046 32.587 32.600 0.056 0.000 1.465 213 M HN 0.185 nan 8.290 nan 0.000 0.506 214 R N -0.949 119.549 120.500 -0.003 0.000 3.651 214 R HA -0.197 4.144 4.340 0.001 0.000 0.292 214 R C 0.598 176.885 176.300 -0.022 0.000 1.161 214 R CA 0.448 56.533 56.100 -0.025 0.000 0.787 214 R CB -2.454 27.835 30.300 -0.019 0.000 1.249 214 R HN 0.543 nan 8.270 nan 0.000 0.476 215 A N -0.157 122.656 122.820 -0.012 0.000 2.252 215 A HA 0.257 4.577 4.320 0.001 0.000 0.213 215 A C 0.928 178.395 177.584 -0.195 0.000 1.188 215 A CA 0.096 52.153 52.037 0.034 0.000 0.863 215 A CB 0.369 19.544 19.000 0.293 0.000 0.893 215 A HN 0.207 nan 8.150 nan 0.000 0.495 216 M N 0.325 119.688 119.600 -0.395 0.000 2.367 216 M HA 0.291 4.771 4.480 0.001 0.000 0.339 216 M C 0.415 176.502 176.300 -0.356 0.000 1.177 216 M CA -0.322 54.578 55.300 -0.667 0.000 1.068 216 M CB 1.526 33.646 32.600 -0.801 0.000 1.602 216 M HN 0.143 nan 8.290 nan 0.000 0.457 217 S N 0.821 116.325 115.700 -0.326 0.000 2.552 217 S HA 0.086 4.557 4.470 0.001 0.000 0.289 217 S C 0.735 175.235 174.600 -0.167 0.000 1.304 217 S CA -0.088 58.001 58.200 -0.185 0.000 1.063 217 S CB 0.212 63.327 63.200 -0.141 0.000 0.848 217 S HN 0.811 nan 8.310 nan 0.000 0.499 218 T N 2.030 116.519 114.554 -0.107 0.000 3.296 218 T HA 0.294 4.645 4.350 0.001 0.000 0.285 218 T C 0.428 175.098 174.700 -0.051 0.000 1.014 218 T CA -0.498 61.555 62.100 -0.078 0.000 0.920 218 T CB -0.210 68.621 68.868 -0.063 0.000 1.143 218 T HN 0.603 nan 8.240 nan 0.000 0.522 219 R N 1.731 122.201 120.500 -0.051 0.000 4.113 219 R HA 0.216 4.556 4.340 0.001 0.000 0.179 219 R C 0.344 176.630 176.300 -0.024 0.000 1.781 219 R CA 0.012 56.093 56.100 -0.031 0.000 1.402 219 R CB -0.846 29.437 30.300 -0.028 0.000 1.375 219 R HN 0.507 nan 8.270 nan 0.000 0.786 220 N N 0.265 118.955 118.700 -0.017 0.000 2.459 220 N HA -0.141 4.599 4.740 0.001 0.000 0.181 220 N C 0.685 176.198 175.510 0.004 0.000 1.046 220 N CA 0.899 53.945 53.050 -0.007 0.000 0.904 220 N CB 0.219 38.707 38.487 0.002 0.000 0.964 220 N HN 0.529 nan 8.380 nan 0.000 0.444 221 D N 1.115 121.516 120.400 0.003 0.000 2.178 221 D HA -0.128 4.512 4.640 0.001 0.000 0.202 221 D C -0.027 176.279 176.300 0.010 0.000 0.974 221 D CA 1.053 55.058 54.000 0.008 0.000 0.841 221 D CB -0.091 40.712 40.800 0.005 0.000 0.953 221 D HN 0.380 nan 8.370 nan 0.000 0.478 222 E N 0.605 120.809 120.200 0.007 0.000 2.731 222 E HA 0.208 4.559 4.350 0.001 0.000 0.248 222 E C -2.225 174.379 176.600 0.007 0.000 1.084 222 E CA -1.679 54.727 56.400 0.010 0.000 0.776 222 E CB 2.153 31.858 29.700 0.008 0.000 1.404 222 E HN -0.068 nan 8.360 nan 0.000 0.395 223 P HA -0.206 nan 4.420 nan 0.000 0.215 223 P C 0.937 178.237 177.300 0.001 0.000 1.153 223 P CA 1.226 64.326 63.100 -0.000 0.000 0.853 223 P CB 0.342 32.050 31.700 0.014 0.000 0.788 224 E N -0.676 119.535 120.200 0.018 0.000 2.268 224 E HA -0.112 4.239 4.350 0.001 0.000 0.195 224 E C 1.815 178.426 176.600 0.019 0.000 0.995 224 E CA 0.651 57.065 56.400 0.023 0.000 0.836 224 E CB -0.199 29.521 29.700 0.033 0.000 0.763 224 E HN 0.322 nan 8.360 nan 0.000 0.491 225 R N -0.132 120.376 120.500 0.014 0.000 2.300 225 R HA 0.193 4.533 4.340 0.001 0.000 0.199 225 R C 1.964 178.267 176.300 0.006 0.000 0.920 225 R CA 0.419 56.527 56.100 0.014 0.000 1.046 225 R CB 0.305 30.612 30.300 0.012 0.000 0.984 225 R HN 0.024 nan 8.270 nan 0.000 0.493 226 A N 1.032 123.849 122.820 -0.005 0.000 1.872 226 A HA -0.040 4.280 4.320 0.001 0.000 0.214 226 A C 1.376 178.948 177.584 -0.020 0.000 1.187 226 A CA 0.724 52.749 52.037 -0.020 0.000 0.614 226 A CB -0.065 18.913 19.000 -0.037 0.000 0.826 226 A HN 0.166 nan 8.150 nan 0.000 0.442 227 S N 0.569 116.261 115.700 -0.014 0.000 2.429 227 S HA 0.329 4.799 4.470 0.001 0.000 0.292 227 S C 0.132 174.732 174.600 0.000 0.000 1.183 227 S CA -0.433 57.760 58.200 -0.012 0.000 1.088 227 S CB -0.356 62.837 63.200 -0.011 0.000 1.018 227 S HN 0.394 nan 8.310 nan 0.000 0.511 228 R N 4.787 125.286 120.500 -0.002 0.000 2.835 228 R HA 0.266 4.607 4.340 0.001 0.000 0.290 228 R C -2.768 173.543 176.300 0.019 0.000 1.410 228 R CA -1.669 54.451 56.100 0.033 0.000 1.590 228 R CB 0.826 31.152 30.300 0.043 0.000 1.288 228 R HN 0.447 nan 8.270 nan 0.000 0.637 229 P HA -0.030 nan 4.420 nan 0.000 0.265 229 P C -0.024 177.238 177.300 -0.064 0.000 1.193 229 P CA 0.277 63.231 63.100 -0.243 0.000 0.765 229 P CB 0.286 31.757 31.700 -0.381 0.000 0.823 230 F N -1.509 118.494 119.950 0.088 0.000 2.778 230 F HA -0.262 4.265 4.527 0.001 0.000 0.399 230 F C 0.783 176.771 175.800 0.314 0.000 0.604 230 F CA 1.335 59.423 58.000 0.146 0.000 1.106 230 F CB -2.477 36.537 39.000 0.024 0.000 1.643 230 F HN 0.279 nan 8.300 nan 0.000 0.290 231 D N 0.419 121.055 120.400 0.393 0.000 2.372 231 D HA 0.283 4.924 4.640 0.001 0.000 0.243 231 D C 1.133 177.501 176.300 0.113 0.000 1.121 231 D CA 0.085 54.225 54.000 0.233 0.000 0.898 231 D CB 1.186 42.076 40.800 0.151 0.000 1.202 231 D HN 0.102 nan 8.370 nan 0.000 0.428 232 K N 1.388 121.816 120.400 0.047 0.000 2.103 232 K HA -0.104 4.217 4.320 0.001 0.000 0.207 232 K C 0.474 177.086 176.600 0.021 0.000 1.048 232 K CA 1.410 57.716 56.287 0.031 0.000 0.930 232 K CB 0.157 32.657 32.500 0.000 0.000 0.716 232 K HN 0.428 nan 8.250 nan 0.000 0.444 233 D N 0.977 121.384 120.400 0.012 0.000 2.336 233 D HA -0.027 4.613 4.640 0.001 0.000 0.228 233 D C -0.338 175.966 176.300 0.007 0.000 1.120 233 D CA 0.040 54.043 54.000 0.005 0.000 0.839 233 D CB -0.026 40.772 40.800 -0.004 0.000 0.932 233 D HN 0.354 nan 8.370 nan 0.000 0.509 234 R N 1.606 122.116 120.500 0.017 0.000 2.623 234 R HA 0.043 4.384 4.340 0.001 0.000 0.271 234 R C -0.025 176.272 176.300 -0.006 0.000 1.043 234 R CA 0.308 56.411 56.100 0.005 0.000 1.083 234 R CB 0.398 30.700 30.300 0.003 0.000 0.974 234 R HN -0.165 nan 8.270 nan 0.000 0.436 235 D N 1.531 121.920 120.400 -0.019 0.000 2.837 235 D HA 0.234 4.874 4.640 0.001 0.000 0.340 235 D C 0.150 176.421 176.300 -0.049 0.000 1.451 235 D CA 0.049 54.032 54.000 -0.028 0.000 0.798 235 D CB 0.377 41.157 40.800 -0.033 0.000 1.169 235 D HN 0.914 nan 8.370 nan 0.000 0.449 236 G N 0.429 109.209 108.800 -0.033 0.000 2.423 236 G HA2 0.160 4.121 3.960 0.001 0.000 0.684 236 G HA3 0.160 4.121 3.960 0.001 0.000 0.684 236 G C -0.598 174.278 174.900 -0.039 0.000 1.309 236 G CA -0.650 44.423 45.100 -0.045 0.000 0.950 236 G HN 0.356 nan 8.290 nan 0.000 0.587 237 F N -0.621 119.282 119.950 -0.078 0.000 2.370 237 F HA 0.852 5.380 4.527 0.001 0.000 0.319 237 F C 0.169 175.869 175.800 -0.165 0.000 1.129 237 F CA -1.382 56.558 58.000 -0.100 0.000 1.109 237 F CB 1.388 40.367 39.000 -0.035 0.000 1.262 237 F HN 0.470 nan 8.300 nan 0.000 0.534 238 V N 2.776 122.769 119.914 0.131 0.000 2.540 238 V HA 0.285 4.405 4.120 0.001 0.000 0.302 238 V C -0.581 175.644 176.094 0.218 0.000 1.035 238 V CA -0.784 61.515 62.300 -0.002 0.000 0.873 238 V CB 1.313 33.126 31.823 -0.017 0.000 0.992 238 V HN 0.623 nan 8.190 nan 0.000 0.428 239 F N 2.665 122.674 119.950 0.097 0.000 2.538 239 F HA 0.572 5.100 4.527 0.001 0.000 0.371 239 F C 1.046 176.828 175.800 -0.029 0.000 1.087 239 F CA -0.323 57.703 58.000 0.043 0.000 1.250 239 F CB 0.906 39.883 39.000 -0.038 0.000 1.110 239 F HN 0.546 nan 8.300 nan 0.000 0.570 240 G N 3.709 112.625 108.800 0.192 0.000 2.744 240 G HA2 0.397 4.358 3.960 0.001 0.000 0.286 240 G HA3 0.397 4.358 3.960 0.001 0.000 0.286 240 G C -1.059 173.872 174.900 0.052 0.000 1.497 240 G CA -0.740 44.405 45.100 0.075 0.000 1.070 240 G HN 0.524 nan 8.290 nan 0.000 0.539 241 E N 0.294 120.516 120.200 0.035 0.000 2.398 241 E HA 0.489 4.839 4.350 0.001 0.000 0.263 241 E C 0.298 176.937 176.600 0.065 0.000 1.046 241 E CA 0.443 56.867 56.400 0.041 0.000 0.908 241 E CB 1.388 31.138 29.700 0.084 0.000 0.963 241 E HN 0.765 nan 8.360 nan 0.000 0.431 242 A N 1.374 124.232 122.820 0.063 0.000 2.583 242 A HA 0.709 5.030 4.320 0.001 0.000 0.292 242 A C -0.901 176.720 177.584 0.061 0.000 1.045 242 A CA -0.170 51.905 52.037 0.063 0.000 0.672 242 A CB 1.872 20.900 19.000 0.047 0.000 1.283 242 A HN 0.610 nan 8.150 nan 0.000 0.419 243 G N -0.950 107.880 108.800 0.050 0.000 2.696 243 G HA2 0.951 4.911 3.960 0.001 0.000 0.295 243 G HA3 0.951 4.911 3.960 0.001 0.000 0.295 243 G C -0.818 174.097 174.900 0.024 0.000 1.398 243 G CA 0.224 45.346 45.100 0.036 0.000 0.920 243 G HN 2.182 nan 8.290 nan 0.000 0.492 244 A N 0.662 123.494 122.820 0.020 0.000 2.547 244 A HA 0.827 5.147 4.320 0.001 0.000 0.297 244 A C -1.309 176.288 177.584 0.021 0.000 1.056 244 A CA -0.502 51.545 52.037 0.016 0.000 0.688 244 A CB 1.244 20.250 19.000 0.010 0.000 1.282 244 A HN 0.821 nan 8.150 nan 0.000 0.400 245 L N 1.965 123.203 121.223 0.025 0.000 2.354 245 L HA 0.845 5.186 4.340 0.001 0.000 0.264 245 L C -0.116 176.780 176.870 0.044 0.000 1.008 245 L CA -0.720 54.145 54.840 0.043 0.000 0.819 245 L CB 2.270 44.364 42.059 0.058 0.000 1.339 245 L HN 0.964 nan 8.230 nan 0.000 0.420 246 M N 1.428 121.066 119.600 0.064 0.000 2.619 246 M HA 0.685 5.165 4.480 0.001 0.000 0.297 246 M C -1.717 174.642 176.300 0.098 0.000 1.229 246 M CA -0.859 54.479 55.300 0.063 0.000 0.860 246 M CB 2.623 35.257 32.600 0.056 0.000 1.741 246 M HN 0.358 nan 8.290 nan 0.000 0.462 247 L N 3.764 125.037 121.223 0.083 0.000 2.313 247 L HA 0.773 5.113 4.340 0.001 0.000 0.283 247 L C -1.085 175.828 176.870 0.072 0.000 1.013 247 L CA -0.552 54.349 54.840 0.101 0.000 0.816 247 L CB 1.435 43.532 42.059 0.062 0.000 1.236 247 L HN 0.832 nan 8.230 nan 0.000 0.419 248 I N 1.080 121.705 120.570 0.091 0.000 2.740 248 I HA 0.802 4.972 4.170 0.001 0.000 0.303 248 I C -1.032 175.106 176.117 0.035 0.000 1.044 248 I CA -0.434 60.914 61.300 0.081 0.000 1.064 248 I CB 2.344 40.419 38.000 0.124 0.000 1.249 248 I HN 0.664 nan 8.210 nan 0.000 0.433 249 E N 1.788 122.000 120.200 0.020 0.000 2.407 249 E HA 0.286 4.636 4.350 0.001 0.000 0.279 249 E C -1.185 175.431 176.600 0.027 0.000 1.012 249 E CA -0.921 55.450 56.400 -0.047 0.000 0.800 249 E CB 2.220 31.891 29.700 -0.048 0.000 1.276 249 E HN 0.855 nan 8.360 nan 0.000 0.452 250 T N -1.773 112.802 114.554 0.034 0.000 2.900 250 T HA 0.055 4.406 4.350 0.001 0.000 0.307 250 T C 0.977 175.747 174.700 0.117 0.000 1.065 250 T CA -0.220 61.931 62.100 0.085 0.000 1.105 250 T CB 1.265 70.185 68.868 0.086 0.000 0.979 250 T HN 0.650 nan 8.240 nan 0.000 0.544 251 E N 0.459 120.731 120.200 0.121 0.000 2.153 251 E HA -0.217 4.133 4.350 0.001 0.000 0.194 251 E C 1.966 178.632 176.600 0.110 0.000 0.988 251 E CA 1.311 57.788 56.400 0.128 0.000 0.811 251 E CB -0.025 29.774 29.700 0.166 0.000 0.746 251 E HN 0.932 nan 8.360 nan 0.000 0.466 252 E N -0.073 120.189 120.200 0.103 0.000 2.058 252 E HA -0.283 4.067 4.350 0.001 0.000 0.194 252 E C 2.189 178.837 176.600 0.080 0.000 0.997 252 E CA 1.348 57.796 56.400 0.081 0.000 0.801 252 E CB -0.225 29.521 29.700 0.076 0.000 0.746 252 E HN 0.359 nan 8.360 nan 0.000 0.450 253 H N -0.114 118.965 119.070 0.016 0.000 2.357 253 H HA -0.040 4.516 4.556 0.001 0.000 0.301 253 H C 1.844 177.160 175.328 -0.020 0.000 1.082 253 H CA 1.717 57.764 56.048 -0.001 0.000 1.342 253 H CB -0.058 29.706 29.762 0.003 0.000 1.389 253 H HN 0.302 nan 8.280 nan 0.000 0.511 254 A N 1.773 124.683 122.820 0.151 0.000 1.873 254 A HA -0.135 4.186 4.320 0.001 0.000 0.215 254 A C 2.473 180.051 177.584 -0.009 0.000 1.186 254 A CA 1.492 53.564 52.037 0.059 0.000 0.616 254 A CB -0.491 18.521 19.000 0.020 0.000 0.823 254 A HN 0.306 nan 8.150 nan 0.000 0.442 255 K N 0.245 120.650 120.400 0.009 0.000 2.020 255 K HA -0.206 4.115 4.320 0.001 0.000 0.212 255 K C 2.128 178.708 176.600 -0.033 0.000 1.050 255 K CA 1.838 58.126 56.287 0.002 0.000 0.929 255 K CB -0.599 31.919 32.500 0.031 0.000 0.714 255 K HN 0.356 nan 8.250 nan 0.000 0.443 256 A N 1.919 124.703 122.820 -0.060 0.000 1.978 256 A HA -0.196 4.125 4.320 0.001 0.000 0.220 256 A C 1.966 179.483 177.584 -0.113 0.000 1.170 256 A CA 1.914 53.895 52.037 -0.092 0.000 0.636 256 A CB -0.462 18.460 19.000 -0.129 0.000 0.810 256 A HN 0.623 nan 8.150 nan 0.000 0.448 257 R N -1.724 118.696 120.500 -0.134 0.000 2.393 257 R HA 0.381 4.722 4.340 0.001 0.000 0.244 257 R C 1.032 177.279 176.300 -0.089 0.000 0.920 257 R CA 0.629 56.655 56.100 -0.124 0.000 1.076 257 R CB -0.537 29.668 30.300 -0.158 0.000 1.119 257 R HN 0.698 nan 8.270 nan 0.000 0.524 258 G N 0.604 109.362 108.800 -0.069 0.000 2.179 258 G HA2 -0.350 3.610 3.960 0.001 0.000 0.257 258 G HA3 -0.350 3.610 3.960 0.001 0.000 0.257 258 G C 0.259 175.119 174.900 -0.067 0.000 1.010 258 G CA 0.175 45.242 45.100 -0.056 0.000 0.736 258 G HN 0.694 nan 8.290 nan 0.000 0.513 259 A N -0.371 122.403 122.820 -0.078 0.000 2.409 259 A HA 0.654 4.974 4.320 0.001 0.000 0.262 259 A C 0.537 178.053 177.584 -0.114 0.000 1.113 259 A CA 0.526 52.506 52.037 -0.095 0.000 0.790 259 A CB 0.583 19.526 19.000 -0.095 0.000 1.046 259 A HN 0.810 nan 8.150 nan 0.000 0.496 260 K N 3.749 124.073 120.400 -0.126 0.000 2.248 260 K HA 0.506 4.826 4.320 0.001 0.000 0.281 260 K C -2.819 173.628 176.600 -0.255 0.000 1.054 260 K CA -1.883 54.297 56.287 -0.178 0.000 0.903 260 K CB 0.575 33.009 32.500 -0.110 0.000 1.077 260 K HN 0.353 nan 8.250 nan 0.000 0.474 261 P HA 0.075 nan 4.420 nan 0.000 0.271 261 P C -0.007 177.108 177.300 -0.308 0.000 1.216 261 P CA -0.246 62.576 63.100 -0.464 0.000 0.776 261 P CB 0.646 31.812 31.700 -0.891 0.000 0.881 262 L N 0.617 121.747 121.223 -0.155 0.000 2.416 262 L HA 0.458 4.798 4.340 0.001 0.000 0.216 262 L C 0.963 177.817 176.870 -0.027 0.000 1.098 262 L CA 0.427 55.212 54.840 -0.092 0.000 0.840 262 L CB -0.482 41.510 42.059 -0.111 0.000 0.981 262 L HN 0.411 nan 8.230 nan 0.000 0.462 263 A N 0.150 122.981 122.820 0.018 0.000 2.483 263 A HA 0.655 4.975 4.320 0.001 0.000 0.294 263 A C -1.210 176.498 177.584 0.207 0.000 1.077 263 A CA -0.760 51.355 52.037 0.131 0.000 0.633 263 A CB 1.025 20.076 19.000 0.085 0.000 1.318 263 A HN 0.080 nan 8.150 nan 0.000 0.455 264 R N -0.511 120.155 120.500 0.277 0.000 2.589 264 R HA 0.628 4.968 4.340 0.001 0.000 0.293 264 R C -1.393 175.060 176.300 0.255 0.000 0.963 264 R CA -0.757 55.503 56.100 0.267 0.000 0.905 264 R CB 1.848 32.304 30.300 0.261 0.000 1.144 264 R HN 0.501 nan 8.270 nan 0.000 0.459 265 L N 4.289 125.595 121.223 0.138 0.000 2.276 265 L HA 0.277 4.617 4.340 0.001 0.000 0.286 265 L C -0.118 176.636 176.870 -0.193 0.000 1.024 265 L CA 0.178 54.914 54.840 -0.173 0.000 0.826 265 L CB 0.976 42.953 42.059 -0.137 0.000 1.211 265 L HN 0.754 nan 8.230 nan 0.000 0.422 266 L N 4.343 125.361 121.223 -0.341 0.000 2.408 266 L HA 0.556 4.897 4.340 0.001 0.000 0.215 266 L C 0.963 177.535 176.870 -0.496 0.000 1.081 266 L CA 0.441 55.164 54.840 -0.195 0.000 0.840 266 L CB -0.033 41.978 42.059 -0.081 0.000 1.002 266 L HN 0.775 nan 8.230 nan 0.000 0.468 267 G N -0.548 107.632 108.800 -1.032 0.000 2.489 267 G HA2 0.631 4.591 3.960 0.001 0.000 0.291 267 G HA3 0.631 4.591 3.960 0.001 0.000 0.291 267 G C -2.184 172.009 174.900 -1.179 0.000 1.487 267 G CA 0.067 44.336 45.100 -1.385 0.000 0.795 267 G HN 0.021 nan 8.290 nan 0.000 0.513 268 A N -0.734 121.477 122.820 -1.016 0.000 2.422 268 A HA 0.952 5.272 4.320 0.001 0.000 0.302 268 A C -0.015 177.395 177.584 -0.290 0.000 1.041 268 A CA -0.027 51.680 52.037 -0.551 0.000 0.708 268 A CB 1.940 20.671 19.000 -0.449 0.000 1.257 268 A HN 2.068 nan 8.150 nan 0.000 0.414 269 G N 0.811 109.489 108.800 -0.203 0.000 2.530 269 G HA2 0.613 4.574 3.960 0.001 0.000 0.316 269 G HA3 0.613 4.574 3.960 0.001 0.000 0.316 269 G C -0.967 173.888 174.900 -0.075 0.000 1.298 269 G CA -0.426 44.611 45.100 -0.106 0.000 0.948 269 G HN 0.655 nan 8.290 nan 0.000 0.486 270 I N 2.176 122.724 120.570 -0.037 0.000 2.447 270 I HA 0.499 4.669 4.170 0.001 0.000 0.287 270 I C 0.307 176.448 176.117 0.040 0.000 1.023 270 I CA -0.617 60.681 61.300 -0.003 0.000 1.083 270 I CB 2.453 40.441 38.000 -0.020 0.000 1.245 270 I HN 0.668 nan 8.210 nan 0.000 0.434 271 T N 1.451 116.047 114.554 0.069 0.000 2.716 271 T HA 0.805 5.155 4.350 0.001 0.000 0.286 271 T C -0.489 174.272 174.700 0.102 0.000 1.052 271 T CA -0.768 61.377 62.100 0.076 0.000 1.024 271 T CB 1.984 70.888 68.868 0.059 0.000 1.349 271 T HN 0.545 nan 8.240 nan 0.000 0.525 272 S N -0.646 115.100 115.700 0.077 0.000 2.564 272 S HA 0.539 5.010 4.470 0.001 0.000 0.274 272 S C -0.503 174.119 174.600 0.036 0.000 1.124 272 S CA -0.803 57.432 58.200 0.058 0.000 0.869 272 S CB 1.898 65.130 63.200 0.054 0.000 1.105 272 S HN 0.629 nan 8.310 nan 0.000 0.472 273 D N 1.324 121.739 120.400 0.026 0.000 2.213 273 D HA 0.241 4.881 4.640 0.001 0.000 0.205 273 D C 1.330 177.678 176.300 0.081 0.000 0.961 273 D CA 1.342 55.371 54.000 0.049 0.000 0.853 273 D CB -0.486 40.361 40.800 0.079 0.000 0.967 273 D HN 1.104 nan 8.370 nan 0.000 0.496 274 A N -0.054 122.800 122.820 0.057 0.000 2.462 274 A HA -0.262 4.058 4.320 0.001 0.000 0.294 274 A C 0.738 178.397 177.584 0.124 0.000 1.461 274 A CA 0.893 52.961 52.037 0.052 0.000 0.765 274 A CB -2.129 16.892 19.000 0.035 0.000 1.071 274 A HN 0.371 nan 8.150 nan 0.000 0.401 275 F N -0.600 119.342 119.950 -0.015 0.000 2.536 275 F HA 0.397 4.924 4.527 0.000 0.000 0.278 275 F C 0.887 176.718 175.800 0.052 0.000 0.945 275 F CA 1.382 59.391 58.000 0.016 0.000 1.244 275 F CB 0.452 39.464 39.000 0.021 0.000 1.118 275 F HN 0.595 nan 8.300 nan 0.000 0.725 276 H N 0.035 118.960 119.070 -0.242 0.000 3.046 276 H HA 0.288 4.845 4.556 0.001 0.000 0.361 276 H C 0.512 175.754 175.328 -0.145 0.000 1.235 276 H CA -0.463 55.367 56.048 -0.363 0.000 1.146 276 H CB 1.823 31.292 29.762 -0.487 0.000 1.859 276 H HN 0.018 nan 8.280 nan 0.000 0.548 277 M N 2.380 121.793 119.600 -0.313 0.000 2.132 277 M HA -0.074 4.406 4.480 0.001 0.000 0.263 277 M C 1.521 177.796 176.300 -0.042 0.000 1.065 277 M CA 1.483 56.692 55.300 -0.151 0.000 1.122 277 M CB -0.368 32.088 32.600 -0.240 0.000 1.365 277 M HN 0.462 nan 8.290 nan 0.000 0.411 278 V N -3.427 116.533 119.914 0.077 0.000 3.078 278 V HA 0.726 4.846 4.120 0.001 0.000 0.344 278 V C -0.019 176.021 176.094 -0.090 0.000 1.409 278 V CA -0.316 61.782 62.300 -0.337 0.000 1.146 278 V CB -0.544 30.828 31.823 -0.751 0.000 1.126 278 V HN 0.164 nan 8.190 nan 0.000 0.513 279 A N 1.274 124.159 122.820 0.108 0.000 2.486 279 A HA 0.937 5.258 4.320 0.001 0.000 0.300 279 A C -3.231 174.507 177.584 0.256 0.000 1.048 279 A CA -1.545 50.556 52.037 0.107 0.000 0.696 279 A CB 1.820 20.772 19.000 -0.079 0.000 1.278 279 A HN 0.167 nan 8.150 nan 0.000 0.405 280 P HA 0.395 nan 4.420 nan 0.000 0.274 280 P C 0.066 177.309 177.300 -0.096 0.000 1.231 280 P CA 0.034 63.159 63.100 0.042 0.000 0.790 280 P CB 1.068 32.719 31.700 -0.080 0.000 0.951 281 A N 2.542 125.224 122.820 -0.229 0.000 2.545 281 A HA 0.265 4.585 4.320 0.001 0.000 0.253 281 A C 1.729 179.035 177.584 -0.462 0.000 1.074 281 A CA 0.434 52.099 52.037 -0.620 0.000 0.760 281 A CB -0.570 18.216 19.000 -0.356 0.000 1.005 281 A HN 0.623 nan 8.150 nan 0.000 0.506 282 A N 2.723 125.220 122.820 -0.539 0.000 1.940 282 A HA -0.168 4.153 4.320 0.001 0.000 0.219 282 A C 1.641 179.102 177.584 -0.204 0.000 1.176 282 A CA 1.967 53.831 52.037 -0.289 0.000 0.631 282 A CB -0.533 18.326 19.000 -0.236 0.000 0.814 282 A HN 0.949 nan 8.150 nan 0.000 0.446 283 D N -1.361 118.910 120.400 -0.215 0.000 2.310 283 D HA 0.128 4.768 4.640 0.001 0.000 0.212 283 D C 1.327 177.555 176.300 -0.119 0.000 0.965 283 D CA 1.111 55.028 54.000 -0.139 0.000 0.879 283 D CB -1.026 39.703 40.800 -0.119 0.000 0.921 283 D HN 0.875 nan 8.370 nan 0.000 0.510 284 G N -0.300 108.408 108.800 -0.153 0.000 2.187 284 G HA2 -0.334 3.626 3.960 0.001 0.000 0.261 284 G HA3 -0.334 3.626 3.960 0.001 0.000 0.261 284 G C 1.070 175.911 174.900 -0.099 0.000 1.000 284 G CA 0.620 45.635 45.100 -0.142 0.000 0.718 284 G HN 0.385 nan 8.290 nan 0.000 0.519 285 V N 0.121 119.983 119.914 -0.088 0.000 2.323 285 V HA -0.104 4.017 4.120 0.001 0.000 0.244 285 V C 2.884 178.958 176.094 -0.033 0.000 1.041 285 V CA 2.317 64.586 62.300 -0.051 0.000 1.025 285 V CB -0.341 31.456 31.823 -0.045 0.000 0.656 285 V HN 0.431 nan 8.190 nan 0.000 0.451 286 R N 0.370 120.848 120.500 -0.037 0.000 2.115 286 R HA 0.102 4.443 4.340 0.001 0.000 0.226 286 R C 2.324 178.630 176.300 0.010 0.000 1.100 286 R CA 1.319 57.414 56.100 -0.008 0.000 0.980 286 R CB -1.261 29.040 30.300 0.001 0.000 0.875 286 R HN 0.510 nan 8.270 nan 0.000 0.445 287 A N 0.752 123.555 122.820 -0.029 0.000 1.902 287 A HA -0.070 4.250 4.320 0.001 0.000 0.217 287 A C 2.411 180.047 177.584 0.086 0.000 1.181 287 A CA 1.861 53.914 52.037 0.025 0.000 0.623 287 A CB -1.119 17.722 19.000 -0.265 0.000 0.818 287 A HN 0.394 nan 8.150 nan 0.000 0.443 288 G N -0.557 108.258 108.800 0.025 0.000 2.422 288 G HA2 -0.258 3.702 3.960 0.001 0.000 0.218 288 G HA3 -0.258 3.702 3.960 0.001 0.000 0.218 288 G C 1.680 176.596 174.900 0.027 0.000 1.146 288 G CA 1.268 46.386 45.100 0.030 0.000 0.769 288 G HN 0.524 nan 8.290 nan 0.000 0.547 289 R N 1.264 121.777 120.500 0.021 0.000 2.096 289 R HA 0.117 4.457 4.340 0.001 0.000 0.235 289 R C 2.691 179.003 176.300 0.020 0.000 1.127 289 R CA 1.748 57.858 56.100 0.017 0.000 0.968 289 R CB -0.885 29.425 30.300 0.016 0.000 0.861 289 R HN 0.228 nan 8.270 nan 0.000 0.440 290 A N 0.436 123.279 122.820 0.039 0.000 1.908 290 A HA -0.185 4.136 4.320 0.001 0.000 0.218 290 A C 2.256 179.838 177.584 -0.003 0.000 1.181 290 A CA 1.931 53.985 52.037 0.028 0.000 0.627 290 A CB -0.509 18.534 19.000 0.072 0.000 0.818 290 A HN 0.423 nan 8.150 nan 0.000 0.445 291 M N -0.949 118.660 119.600 0.015 0.000 2.086 291 M HA -0.130 4.350 4.480 0.001 0.000 0.261 291 M C 2.289 178.572 176.300 -0.029 0.000 1.067 291 M CA 2.025 57.317 55.300 -0.012 0.000 1.116 291 M CB -0.989 31.619 32.600 0.013 0.000 1.348 291 M HN 0.422 nan 8.290 nan 0.000 0.407 292 T N 0.013 114.559 114.554 -0.013 0.000 2.665 292 T HA -0.200 4.150 4.350 0.001 0.000 0.268 292 T C 1.808 176.493 174.700 -0.024 0.000 1.035 292 T CA 1.768 63.858 62.100 -0.017 0.000 1.151 292 T CB -0.376 68.489 68.868 -0.005 0.000 0.862 292 T HN 0.217 nan 8.240 nan 0.000 0.438 293 R N 1.835 122.322 120.500 -0.020 0.000 2.096 293 R HA -0.122 4.218 4.340 0.001 0.000 0.240 293 R C 2.629 178.894 176.300 -0.059 0.000 1.139 293 R CA 2.312 58.399 56.100 -0.021 0.000 0.952 293 R CB -1.055 29.237 30.300 -0.013 0.000 0.854 293 R HN 0.521 nan 8.270 nan 0.000 0.436 294 S N 0.026 115.662 115.700 -0.107 0.000 2.383 294 S HA -0.145 4.326 4.470 0.001 0.000 0.229 294 S C 2.071 176.573 174.600 -0.164 0.000 1.030 294 S CA 1.541 59.626 58.200 -0.193 0.000 1.002 294 S CB -0.609 62.455 63.200 -0.228 0.000 0.829 294 S HN 0.408 nan 8.310 nan 0.000 0.467 295 L N 0.830 121.988 121.223 -0.109 0.000 2.109 295 L HA 0.005 4.346 4.340 0.001 0.000 0.207 295 L C 2.960 179.793 176.870 -0.060 0.000 1.086 295 L CA 1.505 56.287 54.840 -0.096 0.000 0.760 295 L CB -0.766 41.247 42.059 -0.076 0.000 0.910 295 L HN 0.359 nan 8.230 nan 0.000 0.437 296 E N 0.688 120.871 120.200 -0.029 0.000 2.038 296 E HA -0.231 4.120 4.350 0.001 0.000 0.195 296 E C 2.346 178.984 176.600 0.063 0.000 1.000 296 E CA 1.369 57.777 56.400 0.013 0.000 0.803 296 E CB -0.143 29.574 29.700 0.028 0.000 0.750 296 E HN 0.418 nan 8.360 nan 0.000 0.448 297 L N 0.099 121.371 121.223 0.082 0.000 2.141 297 L HA -0.124 4.216 4.340 0.001 0.000 0.209 297 L C 2.498 179.492 176.870 0.206 0.000 1.094 297 L CA 0.743 55.724 54.840 0.234 0.000 0.763 297 L CB -0.362 41.786 42.059 0.149 0.000 0.908 297 L HN 0.160 nan 8.230 nan 0.000 0.437 298 A N -0.156 122.667 122.820 0.006 0.000 1.930 298 A HA 0.042 4.363 4.320 0.001 0.000 0.217 298 A C 1.808 179.401 177.584 0.016 0.000 1.175 298 A CA 1.408 53.434 52.037 -0.019 0.000 0.627 298 A CB -0.663 18.253 19.000 -0.139 0.000 0.815 298 A HN 0.544 nan 8.150 nan 0.000 0.443 299 G N -2.002 106.795 108.800 -0.004 0.000 2.140 299 G HA2 -0.132 3.828 3.960 0.001 0.000 0.211 299 G HA3 -0.132 3.828 3.960 0.001 0.000 0.211 299 G C -0.138 174.710 174.900 -0.087 0.000 1.013 299 G CA 0.206 45.294 45.100 -0.020 0.000 0.705 299 G HN 0.492 nan 8.290 nan 0.000 0.508 300 L N 0.545 121.691 121.223 -0.129 0.000 2.313 300 L HA 0.849 5.190 4.340 0.001 0.000 0.268 300 L C 0.894 177.697 176.870 -0.111 0.000 1.010 300 L CA -0.578 54.148 54.840 -0.190 0.000 0.814 300 L CB 2.035 43.903 42.059 -0.320 0.000 1.304 300 L HN 0.382 nan 8.230 nan 0.000 0.441 301 S N -0.539 115.106 115.700 -0.093 0.000 2.681 301 S HA 0.518 4.988 4.470 0.001 0.000 0.299 301 S C -2.216 172.361 174.600 -0.039 0.000 1.113 301 S CA -1.364 56.807 58.200 -0.049 0.000 1.013 301 S CB 1.815 64.999 63.200 -0.027 0.000 1.076 301 S HN 0.356 nan 8.310 nan 0.000 0.534 302 P HA -0.027 nan 4.420 nan 0.000 0.217 302 P C 1.427 178.734 177.300 0.012 0.000 1.148 302 P CA 1.800 64.896 63.100 -0.006 0.000 0.828 302 P CB -0.239 31.459 31.700 -0.003 0.000 0.783 303 A N -0.263 122.566 122.820 0.015 0.000 2.070 303 A HA -0.193 4.128 4.320 0.001 0.000 0.220 303 A C 1.813 179.433 177.584 0.060 0.000 1.159 303 A CA 1.737 53.794 52.037 0.033 0.000 0.656 303 A CB -1.111 17.906 19.000 0.028 0.000 0.800 303 A HN 0.104 nan 8.150 nan 0.000 0.453 304 D N -0.323 120.110 120.400 0.054 0.000 2.317 304 D HA 0.026 4.666 4.640 0.001 0.000 0.211 304 D C 0.324 176.749 176.300 0.209 0.000 0.966 304 D CA 0.364 54.436 54.000 0.120 0.000 0.876 304 D CB -0.029 40.760 40.800 -0.019 0.000 0.927 304 D HN 0.233 nan 8.370 nan 0.000 0.519 305 I N 2.117 122.765 120.570 0.130 0.000 2.379 305 I HA 0.001 4.171 4.170 0.001 0.000 0.290 305 I C 1.026 177.239 176.117 0.159 0.000 1.063 305 I CA 0.006 61.397 61.300 0.152 0.000 1.351 305 I CB 0.962 39.006 38.000 0.073 0.000 1.410 305 I HN -0.182 nan 8.210 nan 0.000 0.505 306 D N 3.666 124.195 120.400 0.216 0.000 2.366 306 D HA -0.012 4.629 4.640 0.001 0.000 0.205 306 D C 0.370 176.792 176.300 0.203 0.000 1.022 306 D CA 0.891 55.036 54.000 0.241 0.000 0.868 306 D CB 0.477 41.499 40.800 0.370 0.000 0.953 306 D HN 0.563 nan 8.370 nan 0.000 0.514 307 H N -0.306 118.775 119.070 0.017 0.000 2.947 307 H HA 0.403 4.959 4.556 0.001 0.000 0.354 307 H C -1.737 173.578 175.328 -0.022 0.000 1.085 307 H CA -0.594 55.404 56.048 -0.083 0.000 1.253 307 H CB 1.314 30.927 29.762 -0.248 0.000 1.757 307 H HN -0.366 nan 8.280 nan 0.000 0.523 308 V N 5.346 124.965 119.914 -0.491 0.000 2.409 308 V HA 0.248 4.369 4.120 0.001 0.000 0.291 308 V C 0.105 175.790 176.094 -0.680 0.000 1.020 308 V CA -1.034 60.986 62.300 -0.466 0.000 0.848 308 V CB 1.358 33.070 31.823 -0.184 0.000 0.990 308 V HN 0.811 nan 8.190 nan 0.000 0.430 309 N N 3.988 122.352 118.700 -0.560 0.000 2.439 309 N HA 0.362 5.102 4.740 0.001 0.000 0.243 309 N C -0.075 175.371 175.510 -0.106 0.000 1.088 309 N CA -0.097 52.825 53.050 -0.214 0.000 0.940 309 N CB 1.567 40.031 38.487 -0.038 0.000 1.180 309 N HN 0.839 nan 8.380 nan 0.000 0.505 310 A N 2.982 125.779 122.820 -0.039 0.000 2.354 310 A HA 0.141 4.461 4.320 0.001 0.000 0.269 310 A C 1.128 178.726 177.584 0.024 0.000 1.109 310 A CA -0.326 51.757 52.037 0.076 0.000 0.800 310 A CB 0.344 19.520 19.000 0.294 0.000 1.045 310 A HN 0.898 nan 8.150 nan 0.000 0.489 311 H N 2.357 121.395 119.070 -0.052 0.000 2.352 311 H HA 0.036 4.592 4.556 0.001 0.000 0.299 311 H C 1.558 176.802 175.328 -0.140 0.000 1.097 311 H CA 1.783 57.749 56.048 -0.137 0.000 1.311 311 H CB -0.328 29.351 29.762 -0.139 0.000 1.377 311 H HN 1.213 nan 8.280 nan 0.000 0.504 312 G N 0.501 109.258 108.800 -0.073 0.000 2.144 312 G HA2 -0.309 3.651 3.960 0.001 0.000 0.251 312 G HA3 -0.309 3.651 3.960 0.001 0.000 0.251 312 G C 1.027 175.669 174.900 -0.429 0.000 0.780 312 G CA 0.902 45.771 45.100 -0.385 0.000 1.183 312 G HN 0.756 nan 8.290 nan 0.000 0.345 313 T N -1.565 112.789 114.554 -0.333 0.000 3.067 313 T HA 0.457 4.807 4.350 0.001 0.000 0.257 313 T C 1.889 176.528 174.700 -0.103 0.000 1.105 313 T CA 1.470 63.422 62.100 -0.246 0.000 1.104 313 T CB 0.126 68.944 68.868 -0.083 0.000 0.925 313 T HN 2.386 nan 8.240 nan 0.000 0.498 314 A N 0.876 123.592 122.820 -0.174 0.000 3.168 314 A HA -0.117 4.204 4.320 0.001 0.000 0.249 314 A C 0.793 178.362 177.584 -0.025 0.000 1.280 314 A CA 0.904 52.874 52.037 -0.112 0.000 1.128 314 A CB -2.919 16.041 19.000 -0.066 0.000 1.160 314 A HN 1.322 nan 8.150 nan 0.000 0.900 315 T N -2.880 111.686 114.554 0.019 0.000 2.910 315 T HA 0.566 4.916 4.350 0.001 0.000 0.293 315 T C -1.043 173.668 174.700 0.018 0.000 1.015 315 T CA -1.091 61.043 62.100 0.056 0.000 1.094 315 T CB 1.293 70.239 68.868 0.131 0.000 0.968 315 T HN 0.043 nan 8.240 nan 0.000 0.521 316 P HA -0.057 nan 4.420 nan 0.000 0.215 316 P C 1.537 178.851 177.300 0.023 0.000 1.157 316 P CA 0.300 63.412 63.100 0.020 0.000 0.868 316 P CB -0.038 31.674 31.700 0.018 0.000 0.788 317 I N -0.234 120.352 120.570 0.028 0.000 2.439 317 I HA -0.010 4.160 4.170 0.001 0.000 0.251 317 I C 2.034 178.164 176.117 0.021 0.000 1.139 317 I CA 1.322 62.633 61.300 0.019 0.000 1.438 317 I CB -1.450 36.559 38.000 0.015 0.000 1.085 317 I HN -0.129 nan 8.210 nan 0.000 0.427 318 G N 0.063 108.889 108.800 0.044 0.000 2.453 318 G HA2 -0.255 3.705 3.960 0.001 0.000 0.215 318 G HA3 -0.255 3.705 3.960 0.001 0.000 0.215 318 G C 1.358 176.275 174.900 0.029 0.000 1.201 318 G CA 1.013 46.146 45.100 0.056 0.000 0.784 318 G HN 0.371 nan 8.290 nan 0.000 0.545 319 D N 1.044 121.431 120.400 -0.022 0.000 2.117 319 D HA -0.006 4.634 4.640 0.001 0.000 0.197 319 D C 2.804 179.212 176.300 0.181 0.000 0.987 319 D CA 1.205 55.185 54.000 -0.033 0.000 0.829 319 D CB -0.590 40.047 40.800 -0.272 0.000 0.961 319 D HN 0.301 nan 8.370 nan 0.000 0.460 320 A N 1.097 123.979 122.820 0.103 0.000 1.883 320 A HA -0.100 4.220 4.320 0.001 0.000 0.217 320 A C 2.317 179.930 177.584 0.048 0.000 1.186 320 A CA 2.485 54.574 52.037 0.087 0.000 0.624 320 A CB -0.822 18.204 19.000 0.042 0.000 0.822 320 A HN 0.251 nan 8.150 nan 0.000 0.444 321 A N -0.557 122.263 122.820 0.000 0.000 1.898 321 A HA -0.139 4.182 4.320 0.001 0.000 0.216 321 A C 2.033 179.576 177.584 -0.069 0.000 1.181 321 A CA 1.785 53.779 52.037 -0.072 0.000 0.620 321 A CB -0.523 18.394 19.000 -0.138 0.000 0.819 321 A HN 0.684 nan 8.150 nan 0.000 0.442 322 E N -0.010 120.189 120.200 -0.002 0.000 2.077 322 E HA -0.101 4.249 4.350 0.001 0.000 0.193 322 E C 2.082 178.760 176.600 0.130 0.000 0.989 322 E CA 1.057 57.509 56.400 0.086 0.000 0.800 322 E CB -0.286 29.597 29.700 0.304 0.000 0.746 322 E HN 0.512 nan 8.360 nan 0.000 0.452 323 A N 1.293 124.211 122.820 0.163 0.000 1.908 323 A HA -0.249 4.071 4.320 0.001 0.000 0.218 323 A C 1.994 179.591 177.584 0.020 0.000 1.181 323 A CA 1.786 53.863 52.037 0.068 0.000 0.627 323 A CB -0.728 18.319 19.000 0.077 0.000 0.818 323 A HN 0.286 nan 8.150 nan 0.000 0.445 324 N N 0.276 118.983 118.700 0.012 0.000 2.166 324 N HA -0.106 4.634 4.740 0.001 0.000 0.186 324 N C 1.868 177.366 175.510 -0.021 0.000 1.019 324 N CA 1.562 54.602 53.050 -0.016 0.000 0.856 324 N CB -0.556 37.907 38.487 -0.039 0.000 0.993 324 N HN 0.481 nan 8.380 nan 0.000 0.426 325 A N 0.938 123.745 122.820 -0.022 0.000 1.930 325 A HA -0.039 4.281 4.320 0.001 0.000 0.217 325 A C 2.324 179.919 177.584 0.018 0.000 1.175 325 A CA 0.814 52.843 52.037 -0.013 0.000 0.627 325 A CB -0.580 18.407 19.000 -0.022 0.000 0.815 325 A HN 0.223 nan 8.150 nan 0.000 0.443 326 I N -0.980 119.606 120.570 0.028 0.000 2.226 326 I HA -0.261 3.909 4.170 0.001 0.000 0.245 326 I C 2.785 178.900 176.117 -0.003 0.000 1.100 326 I CA 1.295 62.603 61.300 0.014 0.000 1.374 326 I CB -0.312 37.686 38.000 -0.004 0.000 1.057 326 I HN 0.282 nan 8.210 nan 0.000 0.413 327 R N 0.161 120.656 120.500 -0.008 0.000 2.081 327 R HA -0.117 4.223 4.340 0.001 0.000 0.235 327 R C 2.352 178.647 176.300 -0.007 0.000 1.131 327 R CA 1.253 57.347 56.100 -0.009 0.000 0.960 327 R CB -0.488 29.805 30.300 -0.011 0.000 0.856 327 R HN 0.187 nan 8.270 nan 0.000 0.436 328 V N 1.098 121.007 119.914 -0.009 0.000 2.324 328 V HA -0.290 3.830 4.120 0.001 0.000 0.250 328 V C 2.263 178.355 176.094 -0.004 0.000 1.060 328 V CA 2.116 64.411 62.300 -0.009 0.000 1.042 328 V CB -0.643 31.172 31.823 -0.014 0.000 0.650 328 V HN 0.450 nan 8.190 nan 0.000 0.450 329 A N -0.820 122.001 122.820 0.001 0.000 2.206 329 A HA 0.333 4.654 4.320 0.001 0.000 0.211 329 A C 1.909 179.492 177.584 -0.002 0.000 1.158 329 A CA 1.058 53.095 52.037 0.001 0.000 0.761 329 A CB -0.619 18.385 19.000 0.006 0.000 0.801 329 A HN 1.384 nan 8.150 nan 0.000 0.473 330 G N -2.547 106.252 108.800 -0.002 0.000 2.182 330 G HA2 -0.259 3.702 3.960 0.001 0.000 0.248 330 G HA3 -0.259 3.702 3.960 0.001 0.000 0.248 330 G C 0.374 175.275 174.900 0.001 0.000 1.042 330 G CA 0.234 45.333 45.100 -0.001 0.000 0.775 330 G HN 0.636 nan 8.290 nan 0.000 0.501 331 C N 0.754 120.052 119.300 -0.002 0.000 2.881 331 C HA 0.276 4.737 4.460 0.001 0.000 0.290 331 C C 1.891 176.876 174.990 -0.009 0.000 1.362 331 C CA 0.115 59.133 59.018 -0.001 0.000 1.757 331 C CB -0.285 27.452 27.740 -0.005 0.000 2.265 331 C HN 0.720 nan 8.230 nan 0.000 0.600 332 D N 0.018 120.411 120.400 -0.011 0.000 2.363 332 D HA -0.101 4.539 4.640 0.001 0.000 0.220 332 D C 1.613 177.903 176.300 -0.018 0.000 0.994 332 D CA 0.795 54.781 54.000 -0.024 0.000 0.890 332 D CB -0.137 40.649 40.800 -0.024 0.000 0.906 332 D HN 0.361 nan 8.370 nan 0.000 0.530 333 Q N 0.350 120.150 119.800 0.001 0.000 2.424 333 Q HA 0.234 4.574 4.340 0.001 0.000 0.204 333 Q C 0.793 176.808 176.000 0.026 0.000 0.933 333 Q CA 0.180 55.992 55.803 0.014 0.000 0.929 333 Q CB 0.227 28.980 28.738 0.025 0.000 1.037 333 Q HN 0.407 nan 8.270 nan 0.000 0.511 334 A N 1.080 123.912 122.820 0.020 0.000 2.425 334 A HA 0.479 4.799 4.320 0.001 0.000 0.242 334 A C 0.041 177.642 177.584 0.028 0.000 1.077 334 A CA 0.168 52.228 52.037 0.039 0.000 0.781 334 A CB 0.251 19.264 19.000 0.022 0.000 1.020 334 A HN 0.244 nan 8.150 nan 0.000 0.494 335 A N 1.310 124.173 122.820 0.071 0.000 2.409 335 A HA 0.523 4.843 4.320 0.001 0.000 0.262 335 A C -0.162 177.470 177.584 0.080 0.000 1.113 335 A CA -0.209 51.867 52.037 0.064 0.000 0.790 335 A CB -0.012 19.036 19.000 0.080 0.000 1.046 335 A HN 1.024 nan 8.150 nan 0.000 0.496 336 V N 3.676 123.593 119.914 0.005 0.000 2.417 336 V HA 0.330 4.451 4.120 0.001 0.000 0.291 336 V C -0.835 175.317 176.094 0.098 0.000 1.024 336 V CA -0.420 61.862 62.300 -0.031 0.000 0.861 336 V CB 1.169 32.857 31.823 -0.226 0.000 0.985 336 V HN 0.792 nan 8.190 nan 0.000 0.436 337 Y N 4.038 124.366 120.300 0.047 0.000 2.377 337 Y HA 0.750 5.300 4.550 0.001 0.000 0.339 337 Y C 0.018 175.972 175.900 0.091 0.000 1.011 337 Y CA -1.684 56.466 58.100 0.082 0.000 1.093 337 Y CB 1.900 40.468 38.460 0.180 0.000 1.201 337 Y HN 0.629 nan 8.280 nan 0.000 0.455 338 A N 8.683 131.361 122.820 -0.236 0.000 2.664 338 A HA 0.461 4.781 4.320 0.001 0.000 0.338 338 A C -2.354 174.847 177.584 -0.638 0.000 1.280 338 A CA -1.523 50.328 52.037 -0.309 0.000 0.809 338 A CB 0.261 19.264 19.000 0.006 0.000 1.114 338 A HN 0.617 nan 8.150 nan 0.000 0.479 339 P HA -0.125 nan 4.420 nan 0.000 0.225 339 P C 0.963 178.086 177.300 -0.296 0.000 1.148 339 P CA 1.073 63.738 63.100 -0.725 0.000 0.779 339 P CB 0.180 31.598 31.700 -0.470 0.000 0.780 340 K N 0.259 120.483 120.400 -0.294 0.000 2.442 340 K HA -0.050 4.270 4.320 0.001 0.000 0.198 340 K C 2.133 178.663 176.600 -0.117 0.000 1.042 340 K CA 1.320 57.483 56.287 -0.207 0.000 0.958 340 K CB -0.364 31.958 32.500 -0.298 0.000 0.766 340 K HN 0.247 nan 8.250 nan 0.000 0.474 341 S N 0.206 115.840 115.700 -0.111 0.000 2.419 341 S HA -0.088 4.383 4.470 0.001 0.000 0.233 341 S C 1.933 176.539 174.600 0.010 0.000 1.016 341 S CA 0.949 59.131 58.200 -0.030 0.000 0.974 341 S CB 0.078 63.284 63.200 0.011 0.000 0.786 341 S HN 0.297 nan 8.310 nan 0.000 0.492 342 A N 0.060 122.889 122.820 0.015 0.000 2.026 342 A HA 0.556 4.876 4.320 0.001 0.000 0.198 342 A C 1.699 179.307 177.584 0.039 0.000 1.390 342 A CA 0.019 52.084 52.037 0.047 0.000 0.915 342 A CB 0.005 19.058 19.000 0.090 0.000 0.974 342 A HN 0.413 nan 8.150 nan 0.000 0.477 343 L N -0.571 120.665 121.223 0.021 0.000 2.590 343 L HA 0.319 4.659 4.340 0.001 0.000 0.227 343 L C 1.457 178.338 176.870 0.019 0.000 1.099 343 L CA 1.119 55.975 54.840 0.028 0.000 0.872 343 L CB -1.237 40.837 42.059 0.025 0.000 1.088 343 L HN 0.601 nan 8.230 nan 0.000 0.479 344 G N -0.094 108.708 108.800 0.004 0.000 2.645 344 G HA2 -0.310 3.650 3.960 0.001 0.000 0.246 344 G HA3 -0.310 3.650 3.960 0.001 0.000 0.246 344 G C -0.331 174.588 174.900 0.031 0.000 1.322 344 G CA -0.122 45.000 45.100 0.037 0.000 0.898 344 G HN 0.360 nan 8.290 nan 0.000 0.573 345 H N 0.776 119.848 119.070 0.003 0.000 2.551 345 H HA 0.616 5.172 4.556 0.001 0.000 0.321 345 H C 1.157 176.461 175.328 -0.039 0.000 1.028 345 H CA -0.079 55.913 56.048 -0.094 0.000 1.215 345 H CB 0.995 30.611 29.762 -0.245 0.000 1.414 345 H HN 0.762 nan 8.280 nan 0.000 0.480 346 S N 5.387 121.216 115.700 0.216 0.000 2.574 346 S HA 0.168 4.638 4.470 0.001 0.000 0.242 346 S C 1.232 175.842 174.600 0.016 0.000 0.982 346 S CA -0.374 57.864 58.200 0.062 0.000 0.977 346 S CB -0.145 63.076 63.200 0.035 0.000 0.814 346 S HN 0.558 nan 8.310 nan 0.000 0.464 347 I N 1.380 121.971 120.570 0.035 0.000 4.904 347 I HA -0.359 3.812 4.170 0.001 0.000 0.038 347 I C 2.195 178.317 176.117 0.008 0.000 0.635 347 I CA 1.861 63.086 61.300 -0.124 0.000 0.225 347 I CB -2.259 35.598 38.000 -0.239 0.000 0.329 347 I HN 0.423 nan 8.210 nan 0.000 0.150 348 G N 0.239 109.033 108.800 -0.009 0.000 2.448 348 G HA2 0.056 4.016 3.960 0.001 0.000 0.219 348 G HA3 0.056 4.016 3.960 0.001 0.000 0.219 348 G C 1.438 176.350 174.900 0.020 0.000 1.127 348 G CA 1.943 47.049 45.100 0.012 0.000 0.766 348 G HN 1.036 nan 8.290 nan 0.000 0.552 349 A N -0.381 122.452 122.820 0.022 0.000 2.132 349 A HA 0.385 4.705 4.320 0.001 0.000 0.213 349 A C 2.326 179.924 177.584 0.023 0.000 1.154 349 A CA 0.980 53.032 52.037 0.024 0.000 0.753 349 A CB -0.166 18.851 19.000 0.028 0.000 0.826 349 A HN 0.275 nan 8.150 nan 0.000 0.469 350 V N -0.025 119.909 119.914 0.032 0.000 2.548 350 V HA -0.090 4.030 4.120 0.001 0.000 0.249 350 V C 2.369 178.457 176.094 -0.010 0.000 1.055 350 V CA 2.198 64.502 62.300 0.006 0.000 1.065 350 V CB -0.532 31.286 31.823 -0.010 0.000 0.681 350 V HN 0.522 nan 8.190 nan 0.000 0.462 351 G N -1.084 107.723 108.800 0.012 0.000 2.443 351 G HA2 -0.109 3.851 3.960 0.001 0.000 0.219 351 G HA3 -0.109 3.851 3.960 0.001 0.000 0.219 351 G C 1.657 176.559 174.900 0.002 0.000 1.131 351 G CA 0.887 45.985 45.100 -0.003 0.000 0.775 351 G HN 0.668 nan 8.290 nan 0.000 0.547 352 A N 0.441 123.267 122.820 0.011 0.000 1.898 352 A HA 0.205 4.525 4.320 0.001 0.000 0.214 352 A C 2.266 179.851 177.584 0.002 0.000 1.183 352 A CA 1.357 53.405 52.037 0.018 0.000 0.622 352 A CB -0.393 18.622 19.000 0.024 0.000 0.824 352 A HN 0.388 nan 8.150 nan 0.000 0.444 353 L N 0.511 121.733 121.223 -0.001 0.000 2.012 353 L HA -0.186 4.155 4.340 0.001 0.000 0.210 353 L C 2.047 178.904 176.870 -0.021 0.000 1.073 353 L CA 2.579 57.415 54.840 -0.007 0.000 0.748 353 L CB -0.762 41.298 42.059 0.002 0.000 0.891 353 L HN 0.533 nan 8.230 nan 0.000 0.431 354 E N -1.165 119.018 120.200 -0.028 0.000 2.208 354 E HA -0.124 4.227 4.350 0.001 0.000 0.193 354 E C 2.083 178.653 176.600 -0.050 0.000 0.988 354 E CA 1.033 57.413 56.400 -0.033 0.000 0.828 354 E CB -0.046 29.619 29.700 -0.059 0.000 0.763 354 E HN 0.502 nan 8.360 nan 0.000 0.478 355 S N 0.455 116.130 115.700 -0.042 0.000 2.383 355 S HA -0.117 4.353 4.470 0.001 0.000 0.227 355 S C 2.193 176.624 174.600 -0.281 0.000 1.026 355 S CA 0.695 58.845 58.200 -0.082 0.000 0.981 355 S CB -0.087 63.184 63.200 0.117 0.000 0.818 355 S HN 0.064 nan 8.310 nan 0.000 0.472 356 V N 2.478 122.289 119.914 -0.172 0.000 2.255 356 V HA -0.182 3.938 4.120 0.001 0.000 0.247 356 V C 2.200 178.110 176.094 -0.306 0.000 1.051 356 V CA 1.616 63.787 62.300 -0.215 0.000 1.018 356 V CB -0.784 30.964 31.823 -0.125 0.000 0.641 356 V HN 0.441 nan 8.190 nan 0.000 0.445 357 L N -0.312 120.790 121.223 -0.203 0.000 2.079 357 L HA -0.186 4.154 4.340 0.001 0.000 0.210 357 L C 2.602 179.331 176.870 -0.235 0.000 1.081 357 L CA 1.953 56.678 54.840 -0.191 0.000 0.752 357 L CB -1.180 40.967 42.059 0.146 0.000 0.896 357 L HN 0.388 nan 8.230 nan 0.000 0.433 358 T N -0.444 113.991 114.554 -0.197 0.000 2.708 358 T HA -0.155 4.195 4.350 0.001 0.000 0.266 358 T C 2.067 176.532 174.700 -0.391 0.000 1.037 358 T CA 1.296 63.275 62.100 -0.201 0.000 1.146 358 T CB -0.322 68.389 68.868 -0.261 0.000 0.865 358 T HN 0.051 nan 8.240 nan 0.000 0.435 359 V N 1.804 121.348 119.914 -0.616 0.000 2.282 359 V HA -0.184 3.937 4.120 0.001 0.000 0.249 359 V C 2.509 178.359 176.094 -0.406 0.000 1.057 359 V CA 1.707 63.702 62.300 -0.510 0.000 1.032 359 V CB -0.751 30.787 31.823 -0.475 0.000 0.645 359 V HN 0.457 nan 8.190 nan 0.000 0.447 360 L N -0.824 120.041 121.223 -0.596 0.000 2.093 360 L HA -0.154 4.186 4.340 0.001 0.000 0.208 360 L C 2.601 179.162 176.870 -0.516 0.000 1.085 360 L CA 1.784 56.126 54.840 -0.830 0.000 0.755 360 L CB -1.183 39.813 42.059 -1.771 0.000 0.904 360 L HN 0.317 nan 8.230 nan 0.000 0.435 361 T N 0.655 114.993 114.554 -0.359 0.000 2.665 361 T HA -0.200 4.151 4.350 0.001 0.000 0.268 361 T C 1.963 176.673 174.700 0.016 0.000 1.035 361 T CA 1.579 63.674 62.100 -0.008 0.000 1.151 361 T CB -0.263 68.502 68.868 -0.172 0.000 0.862 361 T HN 0.197 nan 8.240 nan 0.000 0.438 362 L N 0.173 121.371 121.223 -0.042 0.000 2.072 362 L HA 0.034 4.375 4.340 0.001 0.000 0.205 362 L C 2.825 179.715 176.870 0.033 0.000 1.079 362 L CA 1.100 55.960 54.840 0.032 0.000 0.752 362 L CB -0.449 41.622 42.059 0.019 0.000 0.906 362 L HN 0.118 nan 8.230 nan 0.000 0.436 363 R N 0.118 120.600 120.500 -0.029 0.000 2.096 363 R HA -0.168 4.172 4.340 0.001 0.000 0.235 363 R C 0.802 177.131 176.300 0.048 0.000 1.127 363 R CA 1.791 57.885 56.100 -0.010 0.000 0.968 363 R CB 0.031 30.282 30.300 -0.082 0.000 0.861 363 R HN 0.315 nan 8.270 nan 0.000 0.440 364 D N -1.436 119.022 120.400 0.097 0.000 2.398 364 D HA 0.149 4.790 4.640 0.001 0.000 0.210 364 D C 0.405 176.835 176.300 0.217 0.000 1.094 364 D CA 0.728 54.841 54.000 0.189 0.000 0.839 364 D CB 0.916 41.920 40.800 0.340 0.000 0.963 364 D HN 0.416 nan 8.370 nan 0.000 0.506 365 G N 1.297 110.218 108.800 0.201 0.000 2.356 365 G HA2 -0.200 3.761 3.960 0.001 0.000 0.296 365 G HA3 -0.200 3.761 3.960 0.001 0.000 0.296 365 G C 0.048 175.117 174.900 0.281 0.000 1.022 365 G CA 0.796 46.034 45.100 0.230 0.000 0.961 365 G HN 0.385 nan 8.290 nan 0.000 0.510 366 V N -0.262 119.802 119.914 0.249 0.000 2.971 366 V HA 0.793 4.913 4.120 0.001 0.000 0.309 366 V C -0.678 175.338 176.094 -0.131 0.000 1.130 366 V CA -1.232 61.038 62.300 -0.049 0.000 0.964 366 V CB 2.137 33.691 31.823 -0.449 0.000 1.029 366 V HN 0.347 nan 8.190 nan 0.000 0.427 367 I N 6.685 127.046 120.570 -0.348 0.000 2.447 367 I HA 0.472 4.642 4.170 0.001 0.000 0.287 367 I C -2.446 173.289 176.117 -0.637 0.000 1.023 367 I CA -2.055 58.937 61.300 -0.513 0.000 1.083 367 I CB 2.373 40.047 38.000 -0.544 0.000 1.245 367 I HN 0.480 nan 8.210 nan 0.000 0.434 368 P HA 0.130 nan 4.420 nan 0.000 0.271 368 P C -2.558 174.370 177.300 -0.620 0.000 1.244 368 P CA -1.119 61.487 63.100 -0.823 0.000 0.793 368 P CB -0.226 30.939 31.700 -0.893 0.000 0.984 369 P HA 0.069 nan 4.420 nan 0.000 0.285 369 P C -0.692 176.693 177.300 0.142 0.000 1.259 369 P CA 0.030 63.088 63.100 -0.070 0.000 0.794 369 P CB 0.175 31.854 31.700 -0.035 0.000 0.940 370 T N 4.544 119.237 114.554 0.232 0.000 2.751 370 T HA 0.171 4.521 4.350 0.001 0.000 0.290 370 T C 0.790 175.601 174.700 0.185 0.000 0.919 370 T CA -0.065 62.190 62.100 0.257 0.000 1.136 370 T CB -0.486 68.479 68.868 0.162 0.000 0.875 370 T HN 0.197 nan 8.240 nan 0.000 0.532 371 L N 4.075 125.391 121.223 0.154 0.000 2.483 371 L HA 0.125 4.466 4.340 0.001 0.000 0.275 371 L C 1.099 178.050 176.870 0.135 0.000 1.220 371 L CA -0.383 54.529 54.840 0.119 0.000 0.833 371 L CB 0.051 42.161 42.059 0.084 0.000 1.102 371 L HN 0.720 nan 8.230 nan 0.000 0.490 372 N N -0.331 118.441 118.700 0.119 0.000 2.909 372 N HA -0.281 4.460 4.740 0.001 0.000 0.242 372 N C -0.474 175.125 175.510 0.149 0.000 0.975 372 N CA 0.850 53.962 53.050 0.103 0.000 0.921 372 N CB -1.398 37.134 38.487 0.075 0.000 1.112 372 N HN 0.598 nan 8.380 nan 0.000 0.581 373 Y N 2.054 122.388 120.300 0.056 0.000 2.627 373 Y HA 0.261 4.812 4.550 0.001 0.000 0.347 373 Y C 1.271 177.202 175.900 0.052 0.000 1.099 373 Y CA 0.282 58.423 58.100 0.069 0.000 1.408 373 Y CB 0.091 38.609 38.460 0.096 0.000 1.247 373 Y HN 0.064 nan 8.280 nan 0.000 0.506 374 E N 1.502 121.548 120.200 -0.256 0.000 2.441 374 E HA 0.145 4.496 4.350 0.001 0.000 0.212 374 E C -0.389 176.065 176.600 -0.245 0.000 0.840 374 E CA 0.267 56.553 56.400 -0.190 0.000 1.143 374 E CB 0.881 30.537 29.700 -0.073 0.000 1.153 374 E HN 0.364 nan 8.360 nan 0.000 0.539 375 T N 3.176 117.557 114.554 -0.288 0.000 2.892 375 T HA 0.326 4.676 4.350 0.001 0.000 0.311 375 T C -2.764 171.758 174.700 -0.297 0.000 1.033 375 T CA -1.579 60.385 62.100 -0.227 0.000 0.991 375 T CB 1.689 70.490 68.868 -0.110 0.000 0.981 375 T HN -0.172 nan 8.240 nan 0.000 0.457 376 P HA 0.105 nan 4.420 nan 0.000 0.266 376 P C -0.476 176.827 177.300 0.004 0.000 1.193 376 P CA -0.111 62.901 63.100 -0.145 0.000 0.770 376 P CB 0.512 32.189 31.700 -0.038 0.000 0.836 377 D N 3.099 123.565 120.400 0.109 0.000 2.303 377 D HA 0.159 4.799 4.640 0.001 0.000 0.236 377 D C -1.530 174.824 176.300 0.090 0.000 1.068 377 D CA -2.437 51.621 54.000 0.098 0.000 0.830 377 D CB 1.219 42.105 40.800 0.144 0.000 1.109 377 D HN 0.134 nan 8.370 nan 0.000 0.496 378 P HA -0.088 nan 4.420 nan 0.000 0.220 378 P C 0.571 177.898 177.300 0.045 0.000 1.148 378 P CA 0.742 63.869 63.100 0.045 0.000 0.803 378 P CB 0.666 32.384 31.700 0.029 0.000 0.782 379 E N -0.927 119.304 120.200 0.051 0.000 2.478 379 E HA 0.044 4.395 4.350 0.001 0.000 0.194 379 E C 1.879 178.516 176.600 0.061 0.000 1.045 379 E CA 0.053 56.481 56.400 0.046 0.000 0.868 379 E CB -0.220 29.503 29.700 0.039 0.000 0.885 379 E HN 0.283 nan 8.360 nan 0.000 0.505 380 I N 0.557 121.180 120.570 0.088 0.000 2.272 380 I HA -0.108 4.062 4.170 0.001 0.000 0.235 380 I C 0.554 176.687 176.117 0.027 0.000 1.071 380 I CA 0.757 62.115 61.300 0.097 0.000 1.374 380 I CB -0.738 37.373 38.000 0.184 0.000 1.121 380 I HN 0.062 nan 8.210 nan 0.000 0.420 381 D N 1.040 121.460 120.400 0.035 0.000 2.718 381 D HA -0.170 4.470 4.640 0.001 0.000 0.242 381 D C -0.696 175.585 176.300 -0.033 0.000 1.123 381 D CA 0.405 54.413 54.000 0.013 0.000 0.690 381 D CB -1.110 39.697 40.800 0.012 0.000 1.059 381 D HN 0.155 nan 8.370 nan 0.000 0.429 382 L N -0.039 121.140 121.223 -0.074 0.000 2.333 382 L HA 0.451 4.791 4.340 0.001 0.000 0.263 382 L C 0.408 177.208 176.870 -0.116 0.000 1.014 382 L CA -1.148 53.604 54.840 -0.147 0.000 0.820 382 L CB 1.555 43.414 42.059 -0.334 0.000 1.352 382 L HN -0.148 nan 8.230 nan 0.000 0.421 383 D N 1.510 121.848 120.400 -0.103 0.000 2.517 383 D HA 0.208 4.849 4.640 0.001 0.000 0.220 383 D C -0.700 175.528 176.300 -0.120 0.000 1.158 383 D CA -0.082 53.880 54.000 -0.063 0.000 0.992 383 D CB 0.423 41.212 40.800 -0.019 0.000 1.058 383 D HN 0.036 nan 8.370 nan 0.000 0.516 384 V N 4.080 123.872 119.914 -0.203 0.000 2.455 384 V HA 0.100 4.220 4.120 0.001 0.000 0.273 384 V C 0.582 176.581 176.094 -0.159 0.000 1.045 384 V CA -0.804 61.296 62.300 -0.332 0.000 0.976 384 V CB 1.506 32.806 31.823 -0.871 0.000 0.993 384 V HN 0.214 nan 8.190 nan 0.000 0.475 385 V N 5.552 125.426 119.914 -0.067 0.000 2.479 385 V HA 0.575 4.695 4.120 0.001 0.000 0.281 385 V C 0.578 176.681 176.094 0.015 0.000 1.031 385 V CA 0.552 62.844 62.300 -0.014 0.000 1.038 385 V CB 0.379 32.182 31.823 -0.033 0.000 0.981 385 V HN 1.081 nan 8.190 nan 0.000 0.478 386 A N 3.656 126.509 122.820 0.055 0.000 2.602 386 A HA 0.876 5.197 4.320 0.001 0.000 0.290 386 A C 0.749 178.384 177.584 0.085 0.000 1.114 386 A CA 0.160 52.268 52.037 0.118 0.000 0.683 386 A CB 1.324 20.500 19.000 0.293 0.000 1.281 386 A HN 1.778 nan 8.150 nan 0.000 0.416 387 G N -0.145 108.703 108.800 0.081 0.000 4.526 387 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 387 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 387 G C 0.060 174.972 174.900 0.019 0.000 1.428 387 G CA 1.034 46.165 45.100 0.051 0.000 0.928 387 G HN 1.188 nan 8.290 nan 0.000 0.639 388 E N 1.331 121.532 120.200 0.002 0.000 2.416 388 E HA 0.645 4.996 4.350 0.001 0.000 0.273 388 E C -2.673 173.881 176.600 -0.077 0.000 0.935 388 E CA -1.629 54.757 56.400 -0.024 0.000 0.784 388 E CB 2.088 31.793 29.700 0.007 0.000 1.301 388 E HN 0.320 nan 8.360 nan 0.000 0.454 389 P HA 0.085 nan 4.420 nan 0.000 0.269 389 P C -0.892 176.270 177.300 -0.229 0.000 1.217 389 P CA -0.175 62.753 63.100 -0.286 0.000 0.783 389 P CB 0.481 31.913 31.700 -0.448 0.000 0.898 390 R N 2.003 122.342 120.500 -0.269 0.000 2.388 390 R HA 0.320 4.660 4.340 0.001 0.000 0.314 390 R C -0.786 175.447 176.300 -0.112 0.000 0.959 390 R CA -0.589 55.453 56.100 -0.098 0.000 0.851 390 R CB 0.239 30.543 30.300 0.006 0.000 1.168 390 R HN 0.401 nan 8.270 nan 0.000 0.472 391 Y N 1.677 121.995 120.300 0.029 0.000 2.301 391 Y HA 0.570 5.120 4.550 0.001 0.000 0.328 391 Y C 1.233 177.044 175.900 -0.149 0.000 1.242 391 Y CA 0.711 58.806 58.100 -0.009 0.000 1.323 391 Y CB 1.813 40.246 38.460 -0.045 0.000 1.266 391 Y HN 0.775 nan 8.280 nan 0.000 0.527 392 G N 0.568 109.181 108.800 -0.312 0.000 2.466 392 G HA2 0.196 4.156 3.960 0.001 0.000 0.291 392 G HA3 0.196 4.156 3.960 0.001 0.000 0.291 392 G C -1.970 172.423 174.900 -0.846 0.000 1.460 392 G CA -0.937 43.717 45.100 -0.744 0.000 0.791 392 G HN 0.396 nan 8.290 nan 0.000 0.505 393 D N 0.322 120.373 120.400 -0.583 0.000 2.631 393 D HA 0.337 4.978 4.640 0.001 0.000 0.227 393 D C -0.612 175.528 176.300 -0.267 0.000 1.146 393 D CA -0.253 53.554 54.000 -0.320 0.000 1.009 393 D CB -0.401 40.297 40.800 -0.170 0.000 1.057 393 D HN 0.197 nan 8.370 nan 0.000 0.509 394 Y N 1.061 121.350 120.300 -0.017 0.000 2.436 394 Y HA 0.285 4.836 4.550 0.001 0.000 0.343 394 Y C 1.680 177.533 175.900 -0.079 0.000 1.008 394 Y CA -0.466 57.621 58.100 -0.023 0.000 1.241 394 Y CB 0.912 39.361 38.460 -0.018 0.000 1.153 394 Y HN 0.109 nan 8.280 nan 0.000 0.521 395 R N 1.500 121.995 120.500 -0.008 0.000 2.206 395 R HA 0.179 4.520 4.340 0.001 0.000 0.198 395 R C -0.858 175.079 176.300 -0.604 0.000 0.986 395 R CA 0.489 56.379 56.100 -0.351 0.000 1.029 395 R CB 0.485 30.494 30.300 -0.484 0.000 0.966 395 R HN 0.515 nan 8.270 nan 0.000 0.487 396 Y N -0.973 119.417 120.300 0.150 0.000 2.513 396 Y HA 0.665 5.215 4.550 0.001 0.000 0.340 396 Y C -0.675 175.311 175.900 0.144 0.000 1.055 396 Y CA -1.507 56.671 58.100 0.131 0.000 1.020 396 Y CB 2.166 40.679 38.460 0.089 0.000 1.301 396 Y HN -0.097 nan 8.280 nan 0.000 0.453 397 A N 1.197 124.203 122.820 0.310 0.000 2.572 397 A HA 0.877 5.197 4.320 0.001 0.000 0.295 397 A C -2.009 175.669 177.584 0.156 0.000 1.072 397 A CA -0.794 51.371 52.037 0.213 0.000 0.691 397 A CB 1.428 20.593 19.000 0.275 0.000 1.291 397 A HN 0.458 nan 8.150 nan 0.000 0.404 398 V N 1.806 121.739 119.914 0.031 0.000 2.495 398 V HA 0.406 4.526 4.120 0.001 0.000 0.298 398 V C -0.260 175.816 176.094 -0.030 0.000 1.031 398 V CA -0.714 61.590 62.300 0.007 0.000 0.871 398 V CB 1.665 33.468 31.823 -0.034 0.000 0.988 398 V HN 0.886 nan 8.190 nan 0.000 0.432 399 N N 4.243 122.969 118.700 0.043 0.000 2.422 399 N HA 0.318 5.058 4.740 0.001 0.000 0.266 399 N C -0.604 174.854 175.510 -0.087 0.000 1.007 399 N CA -0.255 52.794 53.050 -0.001 0.000 0.941 399 N CB 0.732 39.284 38.487 0.109 0.000 1.115 399 N HN 0.626 nan 8.380 nan 0.000 0.492 400 N N 1.354 119.964 118.700 -0.151 0.000 2.473 400 N HA 0.445 5.185 4.740 0.001 0.000 0.291 400 N C -1.245 173.975 175.510 -0.483 0.000 1.083 400 N CA -0.276 52.568 53.050 -0.344 0.000 0.951 400 N CB 1.516 39.820 38.487 -0.304 0.000 1.164 400 N HN 0.401 nan 8.380 nan 0.000 0.480 401 S N 0.996 116.219 115.700 -0.795 0.000 2.540 401 S HA 0.690 5.161 4.470 0.001 0.000 0.275 401 S C -1.343 172.526 174.600 -1.219 0.000 1.123 401 S CA -0.602 57.088 58.200 -0.850 0.000 0.907 401 S CB 0.878 63.874 63.200 -0.339 0.000 1.081 401 S HN 0.321 nan 8.310 nan 0.000 0.476 402 F N 0.437 119.873 119.950 -0.858 0.000 2.588 402 F HA 0.865 5.392 4.527 0.001 0.000 0.314 402 F C 0.638 176.280 175.800 -0.262 0.000 1.069 402 F CA -0.766 56.988 58.000 -0.410 0.000 0.931 402 F CB 2.053 40.882 39.000 -0.286 0.000 1.260 402 F HN 0.738 nan 8.300 nan 0.000 0.465 403 G N 0.410 109.336 108.800 0.210 0.000 2.660 403 G HA2 0.581 4.542 3.960 0.001 0.000 0.294 403 G HA3 0.581 4.542 3.960 0.001 0.000 0.294 403 G C -1.670 173.458 174.900 0.379 0.000 1.369 403 G CA -0.736 44.503 45.100 0.230 0.000 0.912 403 G HN 0.234 nan 8.290 nan 0.000 0.479 404 F N 0.710 120.794 119.950 0.223 0.000 2.629 404 F HA 0.372 4.900 4.527 0.000 0.000 0.377 404 F C 1.669 177.546 175.800 0.129 0.000 1.101 404 F CA 1.159 59.256 58.000 0.161 0.000 1.301 404 F CB 0.909 39.998 39.000 0.148 0.000 1.062 404 F HN 1.103 nan 8.300 nan 0.000 0.583 405 G N 0.948 109.848 108.800 0.166 0.000 2.218 405 G HA2 0.069 4.030 3.960 0.001 0.000 0.216 405 G HA3 0.069 4.030 3.960 0.001 0.000 0.216 405 G C 0.850 175.519 174.900 -0.386 0.000 0.994 405 G CA 0.144 45.173 45.100 -0.117 0.000 0.637 405 G HN 1.863 nan 8.290 nan 0.000 0.505 406 G N -0.159 108.518 108.800 -0.204 0.000 2.142 406 G HA2 -0.182 3.779 3.960 0.001 0.000 0.225 406 G HA3 -0.182 3.779 3.960 0.001 0.000 0.225 406 G C 0.027 174.828 174.900 -0.165 0.000 1.015 406 G CA 0.571 45.596 45.100 -0.123 0.000 0.716 406 G HN 1.381 nan 8.290 nan 0.000 0.508 407 H N 0.634 119.791 119.070 0.144 0.000 2.548 407 H HA 0.386 4.942 4.556 0.001 0.000 0.331 407 H C -0.014 175.426 175.328 0.186 0.000 1.093 407 H CA -0.193 55.932 56.048 0.128 0.000 1.367 407 H CB 0.778 30.599 29.762 0.098 0.000 1.455 407 H HN 0.258 nan 8.280 nan 0.000 0.519 408 N N 2.630 121.502 118.700 0.285 0.000 2.442 408 N HA 0.218 4.959 4.740 0.001 0.000 0.274 408 N C -0.823 174.760 175.510 0.123 0.000 1.002 408 N CA -0.469 52.781 53.050 0.332 0.000 0.910 408 N CB 2.764 41.440 38.487 0.315 0.000 1.244 408 N HN 0.216 nan 8.380 nan 0.000 0.492 409 V N 0.936 120.830 119.914 -0.034 0.000 2.444 409 V HA 0.758 4.879 4.120 0.001 0.000 0.294 409 V C -0.165 175.822 176.094 -0.179 0.000 1.022 409 V CA -0.863 61.372 62.300 -0.108 0.000 0.850 409 V CB 1.350 33.097 31.823 -0.125 0.000 0.992 409 V HN 0.761 nan 8.190 nan 0.000 0.426 410 A N 6.108 128.847 122.820 -0.135 0.000 2.343 410 A HA 0.934 5.255 4.320 0.001 0.000 0.316 410 A C -1.035 176.433 177.584 -0.193 0.000 1.104 410 A CA -0.534 51.417 52.037 -0.145 0.000 0.768 410 A CB 1.093 20.042 19.000 -0.086 0.000 1.213 410 A HN 0.796 nan 8.150 nan 0.000 0.456 411 L N 2.020 123.127 121.223 -0.193 0.000 2.356 411 L HA 0.679 5.020 4.340 0.001 0.000 0.277 411 L C 0.332 177.005 176.870 -0.329 0.000 0.996 411 L CA -0.638 54.001 54.840 -0.335 0.000 0.822 411 L CB 2.057 43.925 42.059 -0.318 0.000 1.256 411 L HN 0.788 nan 8.230 nan 0.000 0.413 412 A N 3.768 126.307 122.820 -0.468 0.000 2.252 412 A HA 0.760 5.080 4.320 0.001 0.000 0.309 412 A C -1.018 176.333 177.584 -0.388 0.000 1.285 412 A CA -0.165 51.692 52.037 -0.300 0.000 0.900 412 A CB 0.062 18.908 19.000 -0.257 0.000 1.157 412 A HN 0.501 nan 8.150 nan 0.000 0.536 413 F N 1.234 121.174 119.950 -0.015 0.000 2.507 413 F HA 0.693 5.220 4.527 0.001 0.000 0.327 413 F C 0.903 176.801 175.800 0.163 0.000 1.068 413 F CA -0.187 57.836 58.000 0.039 0.000 0.965 413 F CB 2.610 41.623 39.000 0.023 0.000 1.192 413 F HN 0.672 nan 8.300 nan 0.000 0.476 414 G N 1.109 110.137 108.800 0.380 0.000 2.524 414 G HA2 0.512 4.472 3.960 0.001 0.000 0.310 414 G HA3 0.512 4.472 3.960 0.001 0.000 0.310 414 G C -1.511 173.480 174.900 0.153 0.000 1.279 414 G CA -1.050 44.230 45.100 0.298 0.000 0.974 414 G HN 0.660 nan 8.290 nan 0.000 0.484 415 R N 0.242 120.741 120.500 -0.002 0.000 2.679 415 R HA 0.200 4.540 4.340 0.001 0.000 0.268 415 R C -0.526 175.820 176.300 0.078 0.000 1.044 415 R CA -0.308 55.809 56.100 0.028 0.000 1.105 415 R CB 0.315 30.591 30.300 -0.040 0.000 0.989 415 R HN 0.611 nan 8.270 nan 0.000 0.447 416 Y N 0.000 120.305 120.300 0.009 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 416 Y CA 0.000 58.113 58.100 0.021 0.000 1.940 416 Y CB 0.000 38.477 38.460 0.029 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758