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 1tjo_1_D DATA FIRST_RESID 7 DATA SEQUENCE ARATAGEVEG SDALRMDADR AEQCVDALNA DLANVYVLYH QLKKHHWNVE DATA SEQUENCE GAEFRDLHLF LGEAAETAEE VADELAERVQ ALGGVPHASP ETLQAEASVD DATA SEQUENCE VEDEDVYDIR TSLANDMAIY GDIIEATREH TELAENLGDH ATAHMLREGL DATA SEQUENCE IELEDDAHHI EHYLEDDTLV TQGAL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.584 177.584 0.000 0.000 1.274 7 A CA 0.000 52.038 52.037 0.001 0.000 0.836 7 A CB 0.000 19.001 19.000 0.002 0.000 0.831 8 R N -0.137 120.363 120.500 -0.000 0.000 2.127 8 R HA 0.383 4.723 4.340 -0.000 0.000 0.217 8 R C 0.644 176.943 176.300 -0.002 0.000 1.074 8 R CA 1.568 57.667 56.100 -0.001 0.000 0.991 8 R CB 0.168 30.468 30.300 -0.001 0.000 0.895 8 R HN 1.161 nan 8.270 nan 0.000 0.450 9 A N -0.384 122.435 122.820 -0.001 0.000 2.549 9 A HA 0.485 4.805 4.320 -0.000 0.000 0.297 9 A C -1.060 176.524 177.584 0.000 0.000 1.061 9 A CA -0.599 51.437 52.037 -0.002 0.000 0.690 9 A CB 1.896 20.893 19.000 -0.005 0.000 1.287 9 A HN 0.035 nan 8.150 nan 0.000 0.402 10 T N 1.983 116.537 114.554 0.000 0.000 2.795 10 T HA 0.596 4.946 4.350 -0.000 0.000 0.282 10 T C 0.603 175.307 174.700 0.007 0.000 0.980 10 T CA 0.408 62.511 62.100 0.004 0.000 1.012 10 T CB 1.328 70.198 68.868 0.004 0.000 0.936 10 T HN 1.426 nan 8.240 nan 0.000 0.457 11 A N 2.010 124.839 122.820 0.015 0.000 2.565 11 A HA 0.467 4.787 4.320 -0.000 0.000 0.237 11 A C 1.638 179.237 177.584 0.024 0.000 1.053 11 A CA 0.573 52.626 52.037 0.026 0.000 0.755 11 A CB -0.891 18.138 19.000 0.048 0.000 0.980 11 A HN 1.640 nan 8.150 nan 0.000 0.506 12 G N 1.339 110.150 108.800 0.019 0.000 2.241 12 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 12 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 12 G C 0.104 175.002 174.900 -0.004 0.000 0.998 12 G CA 0.445 45.553 45.100 0.014 0.000 0.621 12 G HN 0.901 nan 8.290 nan 0.000 0.519 13 E N 0.024 120.220 120.200 -0.006 0.000 2.366 13 E HA 0.498 4.848 4.350 -0.000 0.000 0.266 13 E C -0.472 176.117 176.600 -0.019 0.000 1.051 13 E CA -0.250 56.144 56.400 -0.010 0.000 0.884 13 E CB 2.214 31.910 29.700 -0.007 0.000 1.006 13 E HN 0.152 nan 8.360 nan 0.000 0.417 14 V N 2.740 122.642 119.914 -0.019 0.000 2.482 14 V HA 0.036 4.155 4.120 -0.000 0.000 0.295 14 V C 0.641 176.724 176.094 -0.019 0.000 1.026 14 V CA -0.502 61.784 62.300 -0.025 0.000 0.856 14 V CB 1.263 33.068 31.823 -0.030 0.000 1.001 14 V HN 0.794 nan 8.190 nan 0.000 0.424 15 E N 3.852 124.041 120.200 -0.018 0.000 2.474 15 E HA 0.437 4.787 4.350 -0.000 0.000 0.194 15 E C 1.032 177.623 176.600 -0.015 0.000 1.041 15 E CA 0.454 56.846 56.400 -0.015 0.000 0.874 15 E CB 0.611 30.303 29.700 -0.012 0.000 0.914 15 E HN 0.983 nan 8.360 nan 0.000 0.498 16 G N 0.951 109.741 108.800 -0.018 0.000 2.698 16 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.233 16 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.233 16 G C -0.408 174.483 174.900 -0.015 0.000 1.352 16 G CA -0.105 44.985 45.100 -0.017 0.000 0.879 16 G HN 0.484 nan 8.290 nan 0.000 0.567 17 S N -1.039 114.653 115.700 -0.013 0.000 2.614 17 S HA 0.551 5.021 4.470 -0.000 0.000 0.275 17 S C 0.488 175.083 174.600 -0.008 0.000 1.161 17 S CA 0.472 58.666 58.200 -0.010 0.000 0.969 17 S CB 1.657 64.851 63.200 -0.011 0.000 1.059 17 S HN 0.550 nan 8.310 nan 0.000 0.482 18 D N 3.506 123.902 120.400 -0.007 0.000 2.117 18 D HA 0.006 4.646 4.640 -0.000 0.000 0.198 18 D C 2.143 178.441 176.300 -0.004 0.000 0.982 18 D CA 1.526 55.523 54.000 -0.005 0.000 0.828 18 D CB -0.276 40.521 40.800 -0.004 0.000 0.967 18 D HN 0.660 nan 8.370 nan 0.000 0.464 19 A N 0.744 123.562 122.820 -0.004 0.000 1.902 19 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 19 A C 2.207 179.789 177.584 -0.002 0.000 1.181 19 A CA 0.974 53.009 52.037 -0.003 0.000 0.623 19 A CB -0.617 18.381 19.000 -0.003 0.000 0.818 19 A HN 0.239 nan 8.150 nan 0.000 0.443 20 L N -1.720 119.501 121.223 -0.003 0.000 2.592 20 L HA 0.123 4.463 4.340 -0.000 0.000 0.227 20 L C 0.216 177.085 176.870 -0.002 0.000 1.127 20 L CA -0.314 54.525 54.840 -0.002 0.000 0.884 20 L CB -0.045 42.012 42.059 -0.003 0.000 1.065 20 L HN 0.269 nan 8.230 nan 0.000 0.457 21 R N 0.352 120.851 120.500 -0.003 0.000 3.336 21 R HA -0.184 4.156 4.340 -0.000 0.000 0.260 21 R C -0.387 175.910 176.300 -0.005 0.000 1.032 21 R CA 0.650 56.749 56.100 -0.003 0.000 0.693 21 R CB -1.937 28.363 30.300 0.001 0.000 1.134 21 R HN 0.285 nan 8.270 nan 0.000 0.433 22 M N 1.531 121.126 119.600 -0.009 0.000 2.046 22 M HA 0.159 4.639 4.480 -0.000 0.000 0.309 22 M C -0.440 175.852 176.300 -0.014 0.000 0.935 22 M CA -0.765 54.527 55.300 -0.013 0.000 0.915 22 M CB 1.182 33.771 32.600 -0.017 0.000 1.474 22 M HN 0.188 nan 8.290 nan 0.000 0.415 23 D N 2.788 123.180 120.400 -0.013 0.000 2.378 23 D HA 0.290 4.930 4.640 -0.000 0.000 0.238 23 D C 1.010 177.301 176.300 -0.016 0.000 1.180 23 D CA 0.106 54.099 54.000 -0.012 0.000 0.895 23 D CB 0.843 41.636 40.800 -0.011 0.000 1.192 23 D HN 0.593 nan 8.370 nan 0.000 0.438 24 A N 1.140 123.952 122.820 -0.014 0.000 1.940 24 A HA -0.270 4.049 4.320 -0.000 0.000 0.219 24 A C 1.900 179.473 177.584 -0.018 0.000 1.176 24 A CA 1.805 53.833 52.037 -0.016 0.000 0.631 24 A CB -0.883 18.109 19.000 -0.014 0.000 0.814 24 A HN 0.834 nan 8.150 nan 0.000 0.446 25 D N -0.442 119.948 120.400 -0.016 0.000 2.092 25 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 25 D C 2.166 178.454 176.300 -0.020 0.000 0.994 25 D CA 1.726 55.717 54.000 -0.016 0.000 0.828 25 D CB -0.146 40.646 40.800 -0.013 0.000 0.963 25 D HN 0.484 nan 8.370 nan 0.000 0.450 26 R N 0.226 120.713 120.500 -0.022 0.000 2.066 26 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 26 R C 2.413 178.693 176.300 -0.034 0.000 1.131 26 R CA 1.541 57.625 56.100 -0.027 0.000 0.955 26 R CB -0.381 29.902 30.300 -0.027 0.000 0.851 26 R HN 0.138 nan 8.270 nan 0.000 0.432 27 A N 0.697 123.498 122.820 -0.032 0.000 1.908 27 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 27 A C 2.051 179.610 177.584 -0.042 0.000 1.181 27 A CA 1.772 53.787 52.037 -0.036 0.000 0.627 27 A CB -0.651 18.330 19.000 -0.031 0.000 0.818 27 A HN 0.607 nan 8.150 nan 0.000 0.445 28 E N -0.350 119.828 120.200 -0.036 0.000 2.118 28 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 28 E C 2.183 178.755 176.600 -0.047 0.000 0.992 28 E CA 1.423 57.800 56.400 -0.038 0.000 0.804 28 E CB -0.148 29.536 29.700 -0.028 0.000 0.741 28 E HN 0.781 nan 8.360 nan 0.000 0.458 29 Q N -0.353 119.420 119.800 -0.045 0.000 2.050 29 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 29 Q C 2.485 178.437 176.000 -0.080 0.000 0.980 29 Q CA 1.624 57.395 55.803 -0.052 0.000 0.840 29 Q CB -0.181 28.533 28.738 -0.040 0.000 0.898 29 Q HN 0.414 nan 8.270 nan 0.000 0.424 30 C N -0.154 119.100 119.300 -0.076 0.000 2.432 30 C HA -0.086 4.373 4.460 -0.000 0.000 0.277 30 C C 2.741 177.663 174.990 -0.113 0.000 1.249 30 C CA 0.421 59.383 59.018 -0.094 0.000 1.725 30 C CB -0.726 26.973 27.740 -0.069 0.000 2.028 30 C HN 0.345 nan 8.230 nan 0.000 0.477 31 V N 1.187 121.047 119.914 -0.091 0.000 2.407 31 V HA -0.206 3.913 4.120 -0.000 0.000 0.248 31 V C 2.062 178.089 176.094 -0.111 0.000 1.055 31 V CA 2.245 64.488 62.300 -0.096 0.000 1.049 31 V CB -0.679 31.097 31.823 -0.079 0.000 0.662 31 V HN 0.501 nan 8.190 nan 0.000 0.455 32 D N 0.292 120.633 120.400 -0.100 0.000 2.144 32 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 32 D C 2.210 178.431 176.300 -0.131 0.000 0.984 32 D CA 1.579 55.529 54.000 -0.084 0.000 0.834 32 D CB -0.286 40.481 40.800 -0.054 0.000 0.955 32 D HN 0.452 nan 8.370 nan 0.000 0.465 33 A N 0.603 123.275 122.820 -0.248 0.000 1.873 33 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 33 A C 2.369 179.740 177.584 -0.355 0.000 1.186 33 A CA 0.841 52.547 52.037 -0.552 0.000 0.616 33 A CB -0.758 17.684 19.000 -0.929 0.000 0.823 33 A HN 0.196 nan 8.150 nan 0.000 0.442 34 L N -0.443 120.654 121.223 -0.210 0.000 2.093 34 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 34 L C 2.337 179.172 176.870 -0.057 0.000 1.085 34 L CA 1.102 55.885 54.840 -0.094 0.000 0.755 34 L CB -0.574 41.436 42.059 -0.082 0.000 0.904 34 L HN 0.346 nan 8.230 nan 0.000 0.435 35 N N 0.229 118.875 118.700 -0.090 0.000 2.216 35 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 35 N C 1.844 177.408 175.510 0.091 0.000 1.017 35 N CA 1.311 54.296 53.050 -0.108 0.000 0.861 35 N CB -0.012 38.270 38.487 -0.341 0.000 0.986 35 N HN 0.278 nan 8.380 nan 0.000 0.428 36 A N 0.868 123.742 122.820 0.090 0.000 1.902 36 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 36 A C 1.802 179.468 177.584 0.136 0.000 1.181 36 A CA 1.578 53.698 52.037 0.138 0.000 0.623 36 A CB -0.429 18.641 19.000 0.117 0.000 0.818 36 A HN 0.169 nan 8.150 nan 0.000 0.443 37 D N -0.335 120.141 120.400 0.127 0.000 2.097 37 D HA -0.131 4.508 4.640 -0.000 0.000 0.195 37 D C 1.875 178.219 176.300 0.073 0.000 0.989 37 D CA 1.317 55.386 54.000 0.115 0.000 0.827 37 D CB -0.561 40.318 40.800 0.132 0.000 0.966 37 D HN 0.327 nan 8.370 nan 0.000 0.456 38 L N 1.169 122.433 121.223 0.068 0.000 2.021 38 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 38 L C 2.112 179.072 176.870 0.148 0.000 1.074 38 L CA 2.137 57.021 54.840 0.073 0.000 0.760 38 L CB -0.824 41.281 42.059 0.077 0.000 0.889 38 L HN -0.001 nan 8.230 nan 0.000 0.433 39 A N -0.707 122.231 122.820 0.196 0.000 1.902 39 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 39 A C 2.106 179.769 177.584 0.131 0.000 1.181 39 A CA 1.793 53.940 52.037 0.184 0.000 0.623 39 A CB -0.762 18.325 19.000 0.145 0.000 0.818 39 A HN 0.615 nan 8.150 nan 0.000 0.443 40 N N 0.094 118.849 118.700 0.090 0.000 2.188 40 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 40 N C 1.669 177.194 175.510 0.026 0.000 1.018 40 N CA 1.537 54.617 53.050 0.051 0.000 0.858 40 N CB -0.478 38.030 38.487 0.034 0.000 0.989 40 N HN 0.253 nan 8.380 nan 0.000 0.426 41 V N 0.177 120.097 119.914 0.010 0.000 2.427 41 V HA -0.190 3.929 4.120 -0.000 0.000 0.248 41 V C 1.772 177.852 176.094 -0.024 0.000 1.051 41 V CA 1.222 63.486 62.300 -0.060 0.000 1.048 41 V CB -0.629 31.123 31.823 -0.117 0.000 0.666 41 V HN 0.324 nan 8.190 nan 0.000 0.456 42 Y N 0.290 120.616 120.300 0.044 0.000 2.314 42 Y HA -0.178 4.371 4.550 -0.000 0.000 0.293 42 Y C 2.465 178.490 175.900 0.208 0.000 1.129 42 Y CA 1.227 59.395 58.100 0.113 0.000 1.201 42 Y CB 0.158 38.681 38.460 0.106 0.000 0.999 42 Y HN 0.269 nan 8.280 nan 0.000 0.541 43 V N -1.438 118.641 119.914 0.275 0.000 2.343 43 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 43 V C 2.106 178.253 176.094 0.089 0.000 1.051 43 V CA 1.679 64.083 62.300 0.173 0.000 1.036 43 V CB -1.180 30.693 31.823 0.085 0.000 0.654 43 V HN 0.385 nan 8.190 nan 0.000 0.451 44 L N 0.135 121.365 121.223 0.011 0.000 2.012 44 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 44 L C 2.505 179.309 176.870 -0.110 0.000 1.073 44 L CA 2.680 57.450 54.840 -0.117 0.000 0.748 44 L CB -1.160 40.751 42.059 -0.246 0.000 0.891 44 L HN 0.531 nan 8.230 nan 0.000 0.431 45 Y N -0.495 119.712 120.300 -0.154 0.000 2.114 45 Y HA -0.326 4.223 4.550 -0.000 0.000 0.282 45 Y C 2.666 178.419 175.900 -0.244 0.000 1.165 45 Y CA 2.369 60.346 58.100 -0.204 0.000 1.148 45 Y CB -0.572 37.784 38.460 -0.173 0.000 0.972 45 Y HN 0.373 nan 8.280 nan 0.000 0.504 46 H N -0.306 118.656 119.070 -0.179 0.000 2.428 46 H HA -0.118 4.438 4.556 -0.000 0.000 0.296 46 H C 2.132 177.211 175.328 -0.416 0.000 1.062 46 H CA 1.752 57.599 56.048 -0.335 0.000 1.350 46 H CB -0.081 29.655 29.762 -0.043 0.000 1.403 46 H HN 0.555 nan 8.280 nan 0.000 0.533 47 Q N 0.425 120.083 119.800 -0.237 0.000 2.137 47 Q HA -0.019 4.321 4.340 -0.000 0.000 0.198 47 Q C 2.309 177.958 176.000 -0.584 0.000 0.960 47 Q CA 0.332 55.902 55.803 -0.388 0.000 0.847 47 Q CB 0.207 28.783 28.738 -0.269 0.000 0.915 47 Q HN 0.346 nan 8.270 nan 0.000 0.448 48 L N 0.439 121.406 121.223 -0.427 0.000 2.083 48 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 48 L C 2.442 179.011 176.870 -0.502 0.000 1.083 48 L CA 0.894 55.519 54.840 -0.358 0.000 0.752 48 L CB -0.351 41.536 42.059 -0.287 0.000 0.899 48 L HN 0.094 nan 8.230 nan 0.000 0.433 49 K N 0.441 120.380 120.400 -0.769 0.000 2.057 49 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 49 K C 2.041 177.835 176.600 -1.342 0.000 1.049 49 K CA 1.245 56.855 56.287 -1.129 0.000 0.931 49 K CB -0.262 31.422 32.500 -1.360 0.000 0.714 49 K HN 0.256 nan 8.250 nan 0.000 0.440 50 K N 0.573 120.424 120.400 -0.915 0.000 2.044 50 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 50 K C 1.935 178.480 176.600 -0.091 0.000 1.049 50 K CA 1.711 57.759 56.287 -0.397 0.000 0.927 50 K CB -0.146 32.205 32.500 -0.248 0.000 0.713 50 K HN 0.378 nan 8.250 nan 0.000 0.443 51 H N -2.128 116.872 119.070 -0.118 0.000 2.395 51 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 51 H C 2.186 177.546 175.328 0.053 0.000 1.070 51 H CA 1.082 57.132 56.048 0.004 0.000 1.356 51 H CB -0.063 29.710 29.762 0.018 0.000 1.401 51 H HN 0.442 nan 8.280 nan 0.000 0.524 52 H N 0.161 119.196 119.070 -0.059 0.000 2.319 52 H HA -0.211 4.345 4.556 -0.000 0.000 0.299 52 H C 1.629 177.094 175.328 0.228 0.000 1.092 52 H CA 1.973 57.985 56.048 -0.060 0.000 1.302 52 H CB -0.217 29.334 29.762 -0.352 0.000 1.373 52 H HN 0.353 nan 8.280 nan 0.000 0.497 53 W N 0.602 121.953 121.300 0.084 0.000 2.388 53 W HA -0.000 4.660 4.660 -0.000 0.000 0.294 53 W C 1.636 178.190 176.519 0.058 0.000 1.212 53 W CA 0.727 58.088 57.345 0.027 0.000 1.271 53 W CB -0.596 28.897 29.460 0.055 0.000 1.126 53 W HN 0.372 nan 8.180 nan 0.000 0.535 54 N N -0.335 118.553 118.700 0.313 0.000 2.325 54 N HA -0.025 4.715 4.740 -0.000 0.000 0.182 54 N C 0.449 176.044 175.510 0.143 0.000 1.088 54 N CA 0.120 53.290 53.050 0.201 0.000 0.879 54 N CB 0.634 39.238 38.487 0.195 0.000 0.983 54 N HN -0.195 nan 8.380 nan 0.000 0.471 55 V N 1.789 121.817 119.914 0.191 0.000 2.673 55 V HA 0.000 4.120 4.120 -0.000 0.000 0.303 55 V C -0.088 176.106 176.094 0.165 0.000 1.046 55 V CA 0.498 62.904 62.300 0.177 0.000 1.126 55 V CB 0.431 32.380 31.823 0.210 0.000 0.934 55 V HN 0.150 nan 8.190 nan 0.000 0.487 56 E N 3.813 124.066 120.200 0.088 0.000 2.408 56 E HA 0.749 5.099 4.350 -0.000 0.000 0.275 56 E C -0.056 176.576 176.600 0.053 0.000 0.935 56 E CA -0.174 56.203 56.400 -0.039 0.000 0.775 56 E CB 2.144 31.785 29.700 -0.098 0.000 1.277 56 E HN 1.215 nan 8.360 nan 0.000 0.455 57 G N 0.215 109.028 108.800 0.022 0.000 2.396 57 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.254 57 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.254 57 G C 0.449 175.446 174.900 0.162 0.000 1.248 57 G CA -0.159 44.981 45.100 0.066 0.000 1.033 57 G HN 0.637 nan 8.290 nan 0.000 0.502 58 A N -0.827 122.058 122.820 0.110 0.000 2.019 58 A HA 0.218 4.538 4.320 -0.000 0.000 0.219 58 A C 1.698 179.355 177.584 0.122 0.000 1.164 58 A CA 2.528 54.630 52.037 0.108 0.000 0.644 58 A CB -0.309 18.729 19.000 0.065 0.000 0.805 58 A HN 0.787 nan 8.150 nan 0.000 0.449 59 E N -1.130 119.139 120.200 0.116 0.000 2.499 59 E HA 0.208 4.557 4.350 -0.000 0.000 0.199 59 E C 0.879 177.505 176.600 0.044 0.000 1.016 59 E CA -0.156 56.285 56.400 0.069 0.000 0.933 59 E CB -0.157 29.568 29.700 0.042 0.000 1.050 59 E HN 0.806 nan 8.360 nan 0.000 0.462 60 F N -0.086 119.874 119.950 0.016 0.000 2.259 60 F HA 0.085 4.611 4.527 -0.000 0.000 0.298 60 F C 2.009 177.848 175.800 0.066 0.000 1.088 60 F CA 0.681 58.695 58.000 0.023 0.000 1.358 60 F CB 0.082 39.084 39.000 0.003 0.000 1.040 60 F HN -0.097 nan 8.300 nan 0.000 0.505 61 R N 0.632 120.322 120.500 -1.351 0.000 2.073 61 R HA -0.157 4.183 4.340 -0.000 0.000 0.229 61 R C 1.970 178.085 176.300 -0.310 0.000 1.120 61 R CA 1.872 57.320 56.100 -1.087 0.000 0.967 61 R CB -0.691 29.116 30.300 -0.822 0.000 0.862 61 R HN 0.453 nan 8.270 nan 0.000 0.436 62 D N 0.156 120.461 120.400 -0.160 0.000 2.123 62 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 62 D C 1.970 178.336 176.300 0.110 0.000 0.992 62 D CA 1.225 55.242 54.000 0.029 0.000 0.833 62 D CB -0.011 40.840 40.800 0.083 0.000 0.954 62 D HN 0.223 nan 8.370 nan 0.000 0.455 63 L N -0.789 120.446 121.223 0.021 0.000 2.056 63 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 63 L C 2.424 179.403 176.870 0.182 0.000 1.078 63 L CA 1.316 56.178 54.840 0.036 0.000 0.749 63 L CB -0.596 41.406 42.059 -0.095 0.000 0.901 63 L HN 0.255 nan 8.230 nan 0.000 0.433 64 H N 0.270 119.368 119.070 0.046 0.000 2.319 64 H HA -0.189 4.367 4.556 -0.000 0.000 0.299 64 H C 2.146 177.612 175.328 0.230 0.000 1.092 64 H CA 1.893 58.017 56.048 0.127 0.000 1.302 64 H CB -0.013 29.755 29.762 0.011 0.000 1.373 64 H HN 0.155 nan 8.280 nan 0.000 0.497 65 L N -1.027 120.295 121.223 0.166 0.000 2.027 65 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 65 L C 2.321 179.232 176.870 0.067 0.000 1.074 65 L CA 1.257 56.155 54.840 0.097 0.000 0.745 65 L CB -0.613 41.516 42.059 0.116 0.000 0.898 65 L HN 0.286 nan 8.230 nan 0.000 0.433 66 F N 0.974 120.952 119.950 0.047 0.000 2.069 66 F HA -0.250 4.276 4.527 -0.000 0.000 0.298 66 F C 2.177 177.974 175.800 -0.006 0.000 1.113 66 F CA 1.651 59.681 58.000 0.049 0.000 1.214 66 F CB -0.368 38.742 39.000 0.183 0.000 0.978 66 F HN -0.133 nan 8.300 nan 0.000 0.474 67 L N -0.052 121.043 121.223 -0.212 0.000 2.083 67 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 67 L C 2.798 179.408 176.870 -0.434 0.000 1.083 67 L CA 1.245 55.902 54.840 -0.306 0.000 0.752 67 L CB -1.498 40.569 42.059 0.012 0.000 0.899 67 L HN 0.378 nan 8.230 nan 0.000 0.433 68 G N -0.347 108.178 108.800 -0.459 0.000 2.402 68 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 68 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 68 G C 1.413 176.046 174.900 -0.444 0.000 1.162 68 G CA 0.469 45.117 45.100 -0.753 0.000 0.777 68 G HN 0.406 nan 8.290 nan 0.000 0.539 69 E N 0.651 120.647 120.200 -0.341 0.000 2.077 69 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 69 E C 2.899 179.312 176.600 -0.311 0.000 0.989 69 E CA 0.770 57.010 56.400 -0.267 0.000 0.800 69 E CB -0.193 29.384 29.700 -0.205 0.000 0.746 69 E HN 0.399 nan 8.360 nan 0.000 0.452 70 A N 1.584 124.111 122.820 -0.488 0.000 1.902 70 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 70 A C 2.411 179.867 177.584 -0.213 0.000 1.181 70 A CA 1.688 53.488 52.037 -0.394 0.000 0.623 70 A CB -0.672 17.973 19.000 -0.591 0.000 0.818 70 A HN 0.294 nan 8.150 nan 0.000 0.443 71 A N -0.305 122.355 122.820 -0.266 0.000 1.902 71 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 71 A C 2.045 179.624 177.584 -0.009 0.000 1.181 71 A CA 1.843 53.774 52.037 -0.177 0.000 0.623 71 A CB -0.559 18.207 19.000 -0.390 0.000 0.818 71 A HN 0.692 nan 8.150 nan 0.000 0.443 72 E N -0.772 119.371 120.200 -0.096 0.000 2.110 72 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 72 E C 1.915 178.469 176.600 -0.078 0.000 0.988 72 E CA 1.624 57.986 56.400 -0.063 0.000 0.804 72 E CB -0.179 29.467 29.700 -0.090 0.000 0.745 72 E HN 0.534 nan 8.360 nan 0.000 0.458 73 T N 0.513 115.013 114.554 -0.091 0.000 2.746 73 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 73 T C 1.843 176.495 174.700 -0.080 0.000 1.039 73 T CA 1.331 63.385 62.100 -0.077 0.000 1.142 73 T CB -0.312 68.516 68.868 -0.067 0.000 0.866 73 T HN 0.357 nan 8.240 nan 0.000 0.444 74 A N 1.251 124.030 122.820 -0.068 0.000 1.902 74 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 74 A C 2.207 179.653 177.584 -0.231 0.000 1.181 74 A CA 1.877 53.852 52.037 -0.103 0.000 0.623 74 A CB -0.583 18.384 19.000 -0.056 0.000 0.818 74 A HN 0.605 nan 8.150 nan 0.000 0.443 75 E N -0.239 119.816 120.200 -0.242 0.000 2.106 75 E HA -0.210 4.139 4.350 -0.000 0.000 0.192 75 E C 1.893 178.287 176.600 -0.343 0.000 0.984 75 E CA 1.292 57.403 56.400 -0.483 0.000 0.806 75 E CB -0.101 29.337 29.700 -0.437 0.000 0.750 75 E HN 0.764 nan 8.360 nan 0.000 0.458 76 E N -0.165 119.912 120.200 -0.205 0.000 2.072 76 E HA -0.139 4.210 4.350 -0.000 0.000 0.191 76 E C 2.188 178.699 176.600 -0.148 0.000 0.985 76 E CA 1.069 57.380 56.400 -0.149 0.000 0.801 76 E CB 0.166 29.806 29.700 -0.099 0.000 0.750 76 E HN 0.125 nan 8.360 nan 0.000 0.452 77 V N 1.469 121.292 119.914 -0.152 0.000 2.343 77 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 77 V C 2.331 178.320 176.094 -0.175 0.000 1.051 77 V CA 1.861 64.082 62.300 -0.133 0.000 1.036 77 V CB -0.698 31.062 31.823 -0.104 0.000 0.654 77 V HN 0.319 nan 8.190 nan 0.000 0.451 78 A N 0.047 122.690 122.820 -0.294 0.000 1.877 78 A HA -0.319 4.000 4.320 -0.000 0.000 0.216 78 A C 2.050 179.492 177.584 -0.237 0.000 1.186 78 A CA 2.292 54.098 52.037 -0.385 0.000 0.620 78 A CB -0.762 17.668 19.000 -0.949 0.000 0.822 78 A HN 0.602 nan 8.150 nan 0.000 0.443 79 D N -0.726 119.546 120.400 -0.214 0.000 2.117 79 D HA -0.154 4.485 4.640 -0.000 0.000 0.197 79 D C 1.963 178.219 176.300 -0.074 0.000 0.987 79 D CA 1.475 55.410 54.000 -0.109 0.000 0.829 79 D CB -0.033 40.708 40.800 -0.100 0.000 0.961 79 D HN 0.453 nan 8.370 nan 0.000 0.460 80 E N -0.380 119.771 120.200 -0.081 0.000 2.077 80 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 80 E C 2.228 178.800 176.600 -0.047 0.000 0.989 80 E CA 0.579 56.946 56.400 -0.055 0.000 0.800 80 E CB -0.161 29.507 29.700 -0.054 0.000 0.746 80 E HN 0.326 nan 8.360 nan 0.000 0.452 81 L N 0.827 122.015 121.223 -0.058 0.000 2.017 81 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 81 L C 2.452 179.297 176.870 -0.041 0.000 1.073 81 L CA 1.843 56.656 54.840 -0.045 0.000 0.745 81 L CB -1.317 40.713 42.059 -0.048 0.000 0.894 81 L HN 0.029 nan 8.230 nan 0.000 0.432 82 A N -0.870 121.928 122.820 -0.037 0.000 1.898 82 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 82 A C 2.256 179.825 177.584 -0.024 0.000 1.181 82 A CA 1.533 53.557 52.037 -0.021 0.000 0.620 82 A CB -0.475 18.532 19.000 0.012 0.000 0.819 82 A HN 0.497 nan 8.150 nan 0.000 0.442 83 E N -1.068 119.118 120.200 -0.024 0.000 2.150 83 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 83 E C 2.270 178.857 176.600 -0.022 0.000 0.985 83 E CA 0.990 57.378 56.400 -0.020 0.000 0.814 83 E CB -0.074 29.616 29.700 -0.018 0.000 0.752 83 E HN 0.426 nan 8.360 nan 0.000 0.466 84 R N 0.808 121.293 120.500 -0.025 0.000 2.075 84 R HA -0.091 4.248 4.340 -0.000 0.000 0.232 84 R C 2.100 178.380 176.300 -0.034 0.000 1.126 84 R CA 0.870 56.955 56.100 -0.024 0.000 0.963 84 R CB -0.688 29.599 30.300 -0.022 0.000 0.858 84 R HN -0.001 nan 8.270 nan 0.000 0.435 85 V N 0.984 120.871 119.914 -0.045 0.000 2.252 85 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 85 V C 2.495 178.561 176.094 -0.047 0.000 1.056 85 V CA 2.246 64.511 62.300 -0.058 0.000 1.022 85 V CB -0.606 31.168 31.823 -0.082 0.000 0.641 85 V HN 0.453 nan 8.190 nan 0.000 0.445 86 Q N -0.320 119.458 119.800 -0.037 0.000 2.079 86 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 86 Q C 2.290 178.276 176.000 -0.023 0.000 0.974 86 Q CA 2.015 57.801 55.803 -0.029 0.000 0.840 86 Q CB -0.344 28.381 28.738 -0.021 0.000 0.898 86 Q HN 0.635 nan 8.270 nan 0.000 0.430 87 A N 0.437 123.244 122.820 -0.021 0.000 1.972 87 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 87 A C 1.946 179.519 177.584 -0.018 0.000 1.169 87 A CA 0.837 52.864 52.037 -0.016 0.000 0.635 87 A CB -0.430 18.562 19.000 -0.012 0.000 0.810 87 A HN 0.395 nan 8.150 nan 0.000 0.446 88 L N -1.028 120.180 121.223 -0.024 0.000 2.612 88 L HA 0.213 4.553 4.340 -0.000 0.000 0.230 88 L C 1.500 178.354 176.870 -0.027 0.000 1.140 88 L CA 0.445 55.269 54.840 -0.027 0.000 0.896 88 L CB -0.248 41.791 42.059 -0.034 0.000 1.065 88 L HN 0.571 nan 8.230 nan 0.000 0.447 89 G N -0.031 108.753 108.800 -0.025 0.000 2.136 89 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 89 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 89 G C 0.458 175.341 174.900 -0.029 0.000 0.989 89 G CA -0.064 45.022 45.100 -0.024 0.000 0.682 89 G HN 0.518 nan 8.290 nan 0.000 0.522 90 G N -1.600 107.176 108.800 -0.039 0.000 2.531 90 G HA2 0.666 4.626 3.960 -0.000 0.000 0.313 90 G HA3 0.666 4.626 3.960 -0.000 0.000 0.313 90 G C -0.447 174.422 174.900 -0.051 0.000 1.238 90 G CA -0.150 44.919 45.100 -0.051 0.000 0.994 90 G HN 0.923 nan 8.290 nan 0.000 0.493 91 V N 2.539 122.414 119.914 -0.065 0.000 2.326 91 V HA 0.319 4.439 4.120 -0.000 0.000 0.281 91 V C -1.985 174.045 176.094 -0.107 0.000 1.015 91 V CA -1.311 60.955 62.300 -0.057 0.000 0.823 91 V CB 1.607 33.413 31.823 -0.028 0.000 1.009 91 V HN 0.609 nan 8.190 nan 0.000 0.436 92 P HA 0.136 nan 4.420 nan 0.000 0.271 92 P C -0.328 176.931 177.300 -0.068 0.000 1.216 92 P CA -0.159 62.870 63.100 -0.119 0.000 0.771 92 P CB 0.350 32.027 31.700 -0.039 0.000 0.864 93 H N 1.478 120.564 119.070 0.027 0.000 3.001 93 H HA 0.143 4.699 4.556 -0.000 0.000 0.334 93 H C 1.123 176.467 175.328 0.027 0.000 1.034 93 H CA 0.503 56.566 56.048 0.026 0.000 1.420 93 H CB 0.430 30.214 29.762 0.036 0.000 1.405 93 H HN 0.545 nan 8.280 nan 0.000 0.593 94 A N 3.033 125.932 122.820 0.132 0.000 1.971 94 A HA 0.082 4.402 4.320 -0.000 0.000 0.200 94 A C 0.993 178.570 177.584 -0.011 0.000 1.658 94 A CA 0.446 52.510 52.037 0.044 0.000 0.962 94 A CB -0.294 18.724 19.000 0.030 0.000 1.053 94 A HN 0.623 nan 8.150 nan 0.000 0.533 95 S N 0.393 116.090 115.700 -0.005 0.000 2.592 95 S HA 0.358 4.827 4.470 -0.000 0.000 0.271 95 S C -1.813 172.754 174.600 -0.056 0.000 1.326 95 S CA -0.633 57.547 58.200 -0.033 0.000 1.024 95 S CB 0.904 64.090 63.200 -0.023 0.000 0.921 95 S HN 0.070 nan 8.310 nan 0.000 0.527 96 P HA -0.158 nan 4.420 nan 0.000 0.216 96 P C 1.446 178.699 177.300 -0.079 0.000 1.150 96 P CA 1.675 64.714 63.100 -0.101 0.000 0.837 96 P CB -0.087 31.537 31.700 -0.126 0.000 0.786 97 E N -1.209 118.954 120.200 -0.062 0.000 2.107 97 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 97 E C 1.491 178.056 176.600 -0.059 0.000 0.982 97 E CA 1.438 57.806 56.400 -0.054 0.000 0.809 97 E CB -1.402 28.272 29.700 -0.042 0.000 0.756 97 E HN 0.063 nan 8.360 nan 0.000 0.459 98 T N 1.623 116.141 114.554 -0.061 0.000 2.708 98 T HA -0.074 4.275 4.350 -0.000 0.000 0.266 98 T C 1.889 176.512 174.700 -0.128 0.000 1.037 98 T CA 1.306 63.349 62.100 -0.095 0.000 1.146 98 T CB -0.263 68.567 68.868 -0.062 0.000 0.865 98 T HN 0.100 nan 8.240 nan 0.000 0.435 99 L N 0.762 121.948 121.223 -0.060 0.000 2.012 99 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 99 L C 2.893 179.751 176.870 -0.020 0.000 1.073 99 L CA 1.598 56.430 54.840 -0.012 0.000 0.748 99 L CB -0.503 41.585 42.059 0.049 0.000 0.891 99 L HN 0.303 nan 8.230 nan 0.000 0.431 100 Q N -0.393 119.389 119.800 -0.030 0.000 2.123 100 Q HA -0.167 4.173 4.340 -0.000 0.000 0.199 100 Q C 2.264 178.242 176.000 -0.038 0.000 0.966 100 Q CA 1.355 57.144 55.803 -0.022 0.000 0.845 100 Q CB -0.025 28.695 28.738 -0.029 0.000 0.907 100 Q HN 0.509 nan 8.270 nan 0.000 0.439 101 A N 0.726 123.508 122.820 -0.063 0.000 1.930 101 A HA -0.150 4.169 4.320 -0.000 0.000 0.217 101 A C 1.733 179.266 177.584 -0.085 0.000 1.175 101 A CA 1.384 53.381 52.037 -0.068 0.000 0.627 101 A CB -0.270 18.684 19.000 -0.075 0.000 0.815 101 A HN 0.359 nan 8.150 nan 0.000 0.443 102 E N -0.028 120.087 120.200 -0.142 0.000 2.442 102 E HA 0.202 4.552 4.350 -0.000 0.000 0.195 102 E C 0.786 177.357 176.600 -0.047 0.000 1.030 102 E CA 0.544 56.847 56.400 -0.161 0.000 0.869 102 E CB -0.265 29.161 29.700 -0.457 0.000 0.857 102 E HN 0.533 nan 8.360 nan 0.000 0.505 103 A N 1.590 124.397 122.820 -0.021 0.000 2.440 103 A HA 0.157 4.477 4.320 -0.000 0.000 0.251 103 A C 1.381 178.973 177.584 0.014 0.000 1.089 103 A CA 0.257 52.304 52.037 0.017 0.000 0.779 103 A CB 0.376 19.392 19.000 0.026 0.000 1.022 103 A HN 0.150 nan 8.150 nan 0.000 0.492 104 S N 1.755 117.470 115.700 0.025 0.000 2.486 104 S HA 0.091 4.561 4.470 -0.000 0.000 0.220 104 S C 0.852 175.463 174.600 0.018 0.000 1.011 104 S CA 0.561 58.774 58.200 0.022 0.000 0.921 104 S CB -1.233 61.985 63.200 0.031 0.000 0.785 104 S HN 1.490 nan 8.310 nan 0.000 0.517 105 V N 0.614 120.538 119.914 0.017 0.000 3.133 105 V HA 0.401 4.520 4.120 -0.000 0.000 0.305 105 V C -0.356 175.745 176.094 0.012 0.000 1.084 105 V CA -0.998 61.310 62.300 0.013 0.000 1.089 105 V CB 0.199 32.025 31.823 0.006 0.000 1.073 105 V HN 0.142 nan 8.190 nan 0.000 0.477 106 D N 1.304 121.712 120.400 0.012 0.000 2.302 106 D HA 0.475 5.114 4.640 -0.000 0.000 0.248 106 D C -0.218 176.091 176.300 0.016 0.000 1.094 106 D CA 0.116 54.124 54.000 0.013 0.000 0.897 106 D CB 1.886 42.692 40.800 0.011 0.000 1.200 106 D HN 0.799 nan 8.370 nan 0.000 0.429 107 V N 0.370 120.296 119.914 0.020 0.000 2.604 107 V HA 0.325 4.445 4.120 -0.000 0.000 0.305 107 V C -0.140 175.982 176.094 0.046 0.000 1.043 107 V CA -0.782 61.535 62.300 0.027 0.000 0.888 107 V CB 1.845 33.679 31.823 0.019 0.000 0.995 107 V HN 0.413 nan 8.190 nan 0.000 0.429 108 E N 3.530 123.775 120.200 0.074 0.000 2.415 108 E HA 0.124 4.474 4.350 -0.000 0.000 0.262 108 E C -0.351 176.336 176.600 0.145 0.000 1.038 108 E CA 0.176 56.658 56.400 0.136 0.000 0.921 108 E CB 0.574 30.424 29.700 0.250 0.000 0.950 108 E HN 0.972 nan 8.360 nan 0.000 0.438 109 D N 1.882 122.394 120.400 0.187 0.000 2.372 109 D HA -0.076 4.564 4.640 -0.000 0.000 0.243 109 D C 0.518 176.912 176.300 0.158 0.000 1.297 109 D CA -0.107 53.986 54.000 0.155 0.000 0.958 109 D CB 0.525 41.414 40.800 0.149 0.000 1.114 109 D HN 0.243 nan 8.370 nan 0.000 0.496 110 E N -0.750 119.503 120.200 0.088 0.000 2.511 110 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 110 E C -0.309 176.290 176.600 -0.001 0.000 1.066 110 E CA 0.188 56.619 56.400 0.052 0.000 0.871 110 E CB -0.168 29.553 29.700 0.034 0.000 0.863 110 E HN 0.419 nan 8.360 nan 0.000 0.520 111 D N 0.219 120.582 120.400 -0.062 0.000 2.360 111 D HA 0.080 4.720 4.640 -0.000 0.000 0.242 111 D C 0.021 176.064 176.300 -0.428 0.000 1.184 111 D CA -0.158 53.685 54.000 -0.261 0.000 0.930 111 D CB 1.438 42.011 40.800 -0.378 0.000 1.161 111 D HN -0.261 nan 8.370 nan 0.000 0.447 112 V N 2.005 121.670 119.914 -0.414 0.000 2.407 112 V HA 0.229 4.349 4.120 -0.000 0.000 0.278 112 V C -0.447 175.358 176.094 -0.482 0.000 1.037 112 V CA -0.487 61.639 62.300 -0.291 0.000 0.900 112 V CB 0.142 31.908 31.823 -0.095 0.000 0.983 112 V HN 0.354 nan 8.190 nan 0.000 0.459 113 Y N 1.697 122.024 120.300 0.045 0.000 2.534 113 Y HA 0.431 4.981 4.550 -0.000 0.000 0.329 113 Y C 0.773 176.662 175.900 -0.019 0.000 1.154 113 Y CA -1.209 56.897 58.100 0.010 0.000 1.192 113 Y CB 0.863 39.327 38.460 0.008 0.000 1.275 113 Y HN 0.850 nan 8.280 nan 0.000 0.491 114 D N -0.179 120.306 120.400 0.141 0.000 2.362 114 D HA -0.055 4.585 4.640 -0.000 0.000 0.238 114 D C 0.841 177.150 176.300 0.016 0.000 1.212 114 D CA -0.228 53.806 54.000 0.057 0.000 0.902 114 D CB 0.802 41.633 40.800 0.051 0.000 1.180 114 D HN 0.453 nan 8.370 nan 0.000 0.445 115 I N 0.199 120.764 120.570 -0.009 0.000 2.394 115 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 115 I C 2.122 178.205 176.117 -0.057 0.000 1.136 115 I CA 1.214 62.484 61.300 -0.050 0.000 1.425 115 I CB -0.323 37.658 38.000 -0.032 0.000 1.079 115 I HN 0.414 nan 8.210 nan 0.000 0.425 116 R N -0.732 119.754 120.500 -0.024 0.000 2.075 116 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 116 R C 2.162 178.452 176.300 -0.018 0.000 1.126 116 R CA 1.918 58.010 56.100 -0.014 0.000 0.963 116 R CB -0.880 29.420 30.300 0.001 0.000 0.858 116 R HN 0.332 nan 8.270 nan 0.000 0.435 117 T N 0.646 115.190 114.554 -0.017 0.000 2.708 117 T HA -0.125 4.224 4.350 -0.000 0.000 0.266 117 T C 2.029 176.696 174.700 -0.053 0.000 1.037 117 T CA 1.735 63.817 62.100 -0.030 0.000 1.146 117 T CB -0.145 68.716 68.868 -0.012 0.000 0.865 117 T HN 0.212 nan 8.240 nan 0.000 0.435 118 S N 1.195 116.827 115.700 -0.112 0.000 2.348 118 S HA -0.031 4.439 4.470 -0.000 0.000 0.221 118 S C 1.953 176.432 174.600 -0.201 0.000 1.033 118 S CA 0.759 58.749 58.200 -0.350 0.000 1.010 118 S CB -0.455 62.253 63.200 -0.819 0.000 0.891 118 S HN 0.148 nan 8.310 nan 0.000 0.442 119 L N 1.651 122.806 121.223 -0.114 0.000 2.083 119 L HA 0.010 4.350 4.340 -0.000 0.000 0.209 119 L C 2.594 179.519 176.870 0.092 0.000 1.083 119 L CA 1.582 56.447 54.840 0.042 0.000 0.752 119 L CB -1.528 40.553 42.059 0.037 0.000 0.899 119 L HN 0.308 nan 8.230 nan 0.000 0.433 120 A N -0.582 122.267 122.820 0.049 0.000 1.933 120 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 120 A C 2.129 179.757 177.584 0.074 0.000 1.175 120 A CA 1.726 53.797 52.037 0.058 0.000 0.628 120 A CB -0.566 18.449 19.000 0.025 0.000 0.814 120 A HN 0.480 nan 8.150 nan 0.000 0.444 121 N N 0.710 119.451 118.700 0.069 0.000 2.104 121 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 121 N C 1.129 176.718 175.510 0.133 0.000 1.024 121 N CA 1.653 54.755 53.050 0.088 0.000 0.853 121 N CB -0.448 38.100 38.487 0.102 0.000 1.008 121 N HN 0.470 nan 8.380 nan 0.000 0.424 122 D N 0.577 121.096 120.400 0.198 0.000 2.117 122 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 122 D C 1.952 178.432 176.300 0.300 0.000 0.982 122 D CA 0.450 54.585 54.000 0.226 0.000 0.828 122 D CB -0.267 40.732 40.800 0.331 0.000 0.967 122 D HN 0.236 nan 8.370 nan 0.000 0.464 123 M N 0.661 120.434 119.600 0.288 0.000 2.106 123 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 123 M C 1.997 178.426 176.300 0.214 0.000 1.068 123 M CA 1.669 57.134 55.300 0.276 0.000 1.100 123 M CB 0.077 32.776 32.600 0.164 0.000 1.351 123 M HN 0.017 nan 8.290 nan 0.000 0.404 124 A N 0.206 123.110 122.820 0.140 0.000 1.930 124 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 124 A C 1.917 179.552 177.584 0.084 0.000 1.175 124 A CA 1.467 53.561 52.037 0.095 0.000 0.627 124 A CB -0.870 18.166 19.000 0.061 0.000 0.815 124 A HN 0.591 nan 8.150 nan 0.000 0.443 125 I N -2.097 118.513 120.570 0.066 0.000 2.202 125 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 125 I C 2.371 178.486 176.117 -0.004 0.000 1.091 125 I CA 1.438 62.736 61.300 -0.004 0.000 1.368 125 I CB -0.502 37.451 38.000 -0.078 0.000 1.058 125 I HN 0.398 nan 8.210 nan 0.000 0.410 126 Y N 1.056 121.383 120.300 0.045 0.000 2.114 126 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 126 Y C 2.686 178.604 175.900 0.030 0.000 1.165 126 Y CA 1.688 59.812 58.100 0.041 0.000 1.148 126 Y CB -0.986 37.511 38.460 0.062 0.000 0.972 126 Y HN 0.169 nan 8.280 nan 0.000 0.504 127 G N -0.386 108.535 108.800 0.202 0.000 2.446 127 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.217 127 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.217 127 G C 1.169 176.110 174.900 0.068 0.000 1.168 127 G CA 1.479 46.648 45.100 0.115 0.000 0.771 127 G HN 0.301 nan 8.290 nan 0.000 0.551 128 D N 0.533 120.965 120.400 0.052 0.000 2.104 128 D HA -0.093 4.547 4.640 -0.000 0.000 0.194 128 D C 2.507 178.812 176.300 0.008 0.000 0.994 128 D CA 0.661 54.675 54.000 0.023 0.000 0.830 128 D CB -0.230 40.581 40.800 0.019 0.000 0.959 128 D HN 0.394 nan 8.370 nan 0.000 0.452 129 I N 0.150 120.731 120.570 0.018 0.000 2.315 129 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 129 I C 2.215 178.335 176.117 0.005 0.000 1.117 129 I CA 0.556 61.860 61.300 0.006 0.000 1.404 129 I CB -0.068 37.932 38.000 0.001 0.000 1.071 129 I HN -0.020 nan 8.210 nan 0.000 0.419 130 I N 0.557 121.152 120.570 0.042 0.000 2.252 130 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 130 I C 2.466 178.574 176.117 -0.016 0.000 1.102 130 I CA 1.443 62.762 61.300 0.031 0.000 1.385 130 I CB -0.306 37.733 38.000 0.064 0.000 1.064 130 I HN 0.206 nan 8.210 nan 0.000 0.414 131 E N 0.774 120.963 120.200 -0.019 0.000 2.077 131 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 131 E C 2.338 178.870 176.600 -0.113 0.000 0.989 131 E CA 1.286 57.658 56.400 -0.046 0.000 0.800 131 E CB -0.152 29.533 29.700 -0.026 0.000 0.746 131 E HN 0.519 nan 8.360 nan 0.000 0.452 132 A N 0.735 123.461 122.820 -0.157 0.000 1.898 132 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 132 A C 2.354 179.606 177.584 -0.554 0.000 1.181 132 A CA 1.710 53.522 52.037 -0.375 0.000 0.620 132 A CB -0.717 18.109 19.000 -0.290 0.000 0.819 132 A HN 0.156 nan 8.150 nan 0.000 0.442 133 T N -0.396 114.008 114.554 -0.250 0.000 2.821 133 T HA -0.111 4.238 4.350 -0.000 0.000 0.267 133 T C 2.040 176.686 174.700 -0.091 0.000 1.046 133 T CA 1.460 63.484 62.100 -0.126 0.000 1.139 133 T CB -0.214 68.636 68.868 -0.029 0.000 0.871 133 T HN 0.503 nan 8.240 nan 0.000 0.454 134 R N 0.971 121.418 120.500 -0.088 0.000 2.083 134 R HA -0.075 4.265 4.340 -0.000 0.000 0.237 134 R C 2.541 178.814 176.300 -0.045 0.000 1.137 134 R CA 1.478 57.550 56.100 -0.047 0.000 0.951 134 R CB -0.180 30.098 30.300 -0.037 0.000 0.851 134 R HN 0.538 nan 8.270 nan 0.000 0.434 135 E N -0.612 119.527 120.200 -0.101 0.000 2.106 135 E HA -0.175 4.174 4.350 -0.000 0.000 0.192 135 E C 1.792 178.424 176.600 0.054 0.000 0.984 135 E CA 1.095 57.465 56.400 -0.049 0.000 0.806 135 E CB -0.085 29.566 29.700 -0.083 0.000 0.750 135 E HN 0.633 nan 8.360 nan 0.000 0.458 136 H N -0.192 118.880 119.070 0.004 0.000 2.462 136 H HA -0.050 4.505 4.556 -0.000 0.000 0.292 136 H C 2.577 177.903 175.328 -0.004 0.000 1.049 136 H CA 1.286 57.334 56.048 -0.001 0.000 1.334 136 H CB 0.129 29.890 29.762 -0.002 0.000 1.404 136 H HN 0.215 nan 8.280 nan 0.000 0.544 137 T N -0.642 113.975 114.554 0.106 0.000 2.821 137 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 137 T C 1.696 176.426 174.700 0.051 0.000 1.046 137 T CA 1.116 63.254 62.100 0.064 0.000 1.139 137 T CB -0.043 68.851 68.868 0.042 0.000 0.871 137 T HN 0.413 nan 8.240 nan 0.000 0.454 138 E N 0.994 121.222 120.200 0.048 0.000 2.077 138 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 138 E C 2.203 178.822 176.600 0.032 0.000 0.989 138 E CA 1.094 57.516 56.400 0.037 0.000 0.800 138 E CB -0.378 29.341 29.700 0.032 0.000 0.746 138 E HN 0.378 nan 8.360 nan 0.000 0.452 139 L N 1.478 122.730 121.223 0.048 0.000 1.989 139 L HA -0.175 4.164 4.340 -0.000 0.000 0.211 139 L C 2.332 179.198 176.870 -0.006 0.000 1.071 139 L CA 2.229 57.087 54.840 0.029 0.000 0.749 139 L CB -0.750 41.340 42.059 0.052 0.000 0.890 139 L HN 0.039 nan 8.230 nan 0.000 0.431 140 A N -0.873 121.944 122.820 -0.004 0.000 1.883 140 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 140 A C 2.198 179.722 177.584 -0.100 0.000 1.186 140 A CA 1.946 53.957 52.037 -0.044 0.000 0.624 140 A CB -0.707 18.281 19.000 -0.020 0.000 0.822 140 A HN 0.637 nan 8.150 nan 0.000 0.444 141 E N -0.309 119.852 120.200 -0.065 0.000 2.150 141 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 141 E C 1.689 178.232 176.600 -0.095 0.000 0.985 141 E CA 1.183 57.523 56.400 -0.099 0.000 0.814 141 E CB -0.321 29.407 29.700 0.047 0.000 0.752 141 E HN 0.761 nan 8.360 nan 0.000 0.466 142 N N 0.414 119.088 118.700 -0.043 0.000 2.396 142 N HA -0.054 4.686 4.740 -0.000 0.000 0.180 142 N C 1.606 177.087 175.510 -0.048 0.000 1.028 142 N CA 0.280 53.314 53.050 -0.027 0.000 0.893 142 N CB 0.106 38.589 38.487 -0.006 0.000 0.967 142 N HN 0.068 nan 8.380 nan 0.000 0.440 143 L N -0.392 120.786 121.223 -0.075 0.000 2.558 143 L HA 0.166 4.506 4.340 -0.000 0.000 0.225 143 L C 1.206 178.003 176.870 -0.121 0.000 1.128 143 L CA 0.035 54.828 54.840 -0.079 0.000 0.868 143 L CB -0.058 41.959 42.059 -0.070 0.000 1.006 143 L HN 0.209 nan 8.230 nan 0.000 0.454 144 G N 0.346 109.011 108.800 -0.224 0.000 2.143 144 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 144 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 144 G C 0.084 174.714 174.900 -0.450 0.000 0.991 144 G CA 0.321 45.201 45.100 -0.366 0.000 0.689 144 G HN 0.373 nan 8.290 nan 0.000 0.522 145 D N 0.128 120.317 120.400 -0.352 0.000 2.564 145 D HA 0.304 4.944 4.640 -0.000 0.000 0.226 145 D C 1.586 177.773 176.300 -0.189 0.000 1.149 145 D CA -0.639 53.245 54.000 -0.194 0.000 0.994 145 D CB -0.207 40.532 40.800 -0.102 0.000 1.029 145 D HN 0.435 nan 8.370 nan 0.000 0.517 146 H N 1.396 120.477 119.070 0.019 0.000 2.423 146 H HA -0.060 4.496 4.556 -0.000 0.000 0.297 146 H C 1.730 177.090 175.328 0.053 0.000 1.075 146 H CA 1.251 57.316 56.048 0.030 0.000 1.342 146 H CB 0.148 29.916 29.762 0.012 0.000 1.395 146 H HN 0.478 nan 8.280 nan 0.000 0.530 147 A N 0.621 123.520 122.820 0.132 0.000 1.873 147 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 147 A C 2.624 180.276 177.584 0.114 0.000 1.186 147 A CA 1.952 54.059 52.037 0.116 0.000 0.616 147 A CB -0.847 18.194 19.000 0.068 0.000 0.823 147 A HN 0.343 nan 8.150 nan 0.000 0.442 148 T N 0.308 114.897 114.554 0.058 0.000 2.746 148 T HA -0.032 4.317 4.350 -0.000 0.000 0.267 148 T C 2.204 176.934 174.700 0.050 0.000 1.039 148 T CA 1.616 63.737 62.100 0.035 0.000 1.142 148 T CB -0.427 68.441 68.868 0.000 0.000 0.866 148 T HN 0.586 nan 8.240 nan 0.000 0.444 149 A N 0.906 123.764 122.820 0.064 0.000 1.933 149 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 149 A C 1.996 179.641 177.584 0.100 0.000 1.175 149 A CA 2.188 54.269 52.037 0.075 0.000 0.628 149 A CB -0.890 18.161 19.000 0.084 0.000 0.814 149 A HN 0.696 nan 8.150 nan 0.000 0.444 150 H N -0.790 118.308 119.070 0.047 0.000 2.353 150 H HA -0.065 4.490 4.556 -0.000 0.000 0.300 150 H C 1.944 177.285 175.328 0.022 0.000 1.090 150 H CA 2.050 58.120 56.048 0.037 0.000 1.327 150 H CB -0.248 29.537 29.762 0.039 0.000 1.383 150 H HN 0.413 nan 8.280 nan 0.000 0.508 151 M N -0.223 119.353 119.600 -0.039 0.000 2.117 151 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 151 M C 1.744 177.986 176.300 -0.096 0.000 1.065 151 M CA 1.602 56.847 55.300 -0.091 0.000 1.114 151 M CB -0.067 32.534 32.600 0.001 0.000 1.361 151 M HN 0.424 nan 8.290 nan 0.000 0.408 152 L N -0.217 120.980 121.223 -0.043 0.000 2.046 152 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 152 L C 2.607 179.449 176.870 -0.047 0.000 1.077 152 L CA 1.469 56.296 54.840 -0.022 0.000 0.747 152 L CB -0.627 41.445 42.059 0.021 0.000 0.896 152 L HN 0.319 nan 8.230 nan 0.000 0.432 153 R N -0.331 120.127 120.500 -0.070 0.000 2.096 153 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 153 R C 2.216 178.448 176.300 -0.113 0.000 1.127 153 R CA 1.068 57.123 56.100 -0.076 0.000 0.968 153 R CB -0.228 30.037 30.300 -0.057 0.000 0.861 153 R HN 0.393 nan 8.270 nan 0.000 0.440 154 E N -0.171 119.907 120.200 -0.203 0.000 2.110 154 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 154 E C 2.094 178.635 176.600 -0.097 0.000 0.988 154 E CA 1.416 57.709 56.400 -0.178 0.000 0.804 154 E CB -0.165 29.379 29.700 -0.260 0.000 0.745 154 E HN 0.507 nan 8.360 nan 0.000 0.458 155 G N 1.538 110.289 108.800 -0.082 0.000 2.394 155 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 155 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 155 G C 1.629 176.516 174.900 -0.022 0.000 1.165 155 G CA 0.438 45.509 45.100 -0.047 0.000 0.784 155 G HN 0.179 nan 8.290 nan 0.000 0.535 156 L N 0.615 121.824 121.223 -0.023 0.000 2.042 156 L HA 0.019 4.358 4.340 -0.000 0.000 0.210 156 L C 2.499 179.368 176.870 -0.002 0.000 1.076 156 L CA 1.582 56.420 54.840 -0.004 0.000 0.749 156 L CB -0.481 41.572 42.059 -0.010 0.000 0.893 156 L HN 0.200 nan 8.230 nan 0.000 0.432 157 I N -0.489 120.069 120.570 -0.019 0.000 2.286 157 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 157 I C 2.234 178.347 176.117 -0.007 0.000 1.115 157 I CA 1.371 62.661 61.300 -0.017 0.000 1.392 157 I CB -0.344 37.640 38.000 -0.027 0.000 1.065 157 I HN 0.332 nan 8.210 nan 0.000 0.418 158 E N 0.053 120.249 120.200 -0.006 0.000 2.107 158 E HA -0.140 4.209 4.350 -0.000 0.000 0.191 158 E C 2.184 178.799 176.600 0.025 0.000 0.982 158 E CA 1.008 57.408 56.400 0.000 0.000 0.809 158 E CB -0.433 29.260 29.700 -0.011 0.000 0.756 158 E HN 0.361 nan 8.360 nan 0.000 0.459 159 L N 1.566 122.822 121.223 0.055 0.000 2.017 159 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 159 L C 2.191 179.089 176.870 0.047 0.000 1.073 159 L CA 1.589 56.513 54.840 0.139 0.000 0.745 159 L CB -0.759 41.407 42.059 0.177 0.000 0.894 159 L HN 0.105 nan 8.230 nan 0.000 0.432 160 E N -0.666 119.551 120.200 0.028 0.000 2.110 160 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 160 E C 1.734 178.337 176.600 0.004 0.000 0.988 160 E CA 1.248 57.650 56.400 0.003 0.000 0.804 160 E CB -0.139 29.559 29.700 -0.002 0.000 0.745 160 E HN 0.474 nan 8.360 nan 0.000 0.458 161 D N 0.973 121.387 120.400 0.024 0.000 2.117 161 D HA -0.161 4.478 4.640 -0.000 0.000 0.197 161 D C 1.503 177.906 176.300 0.172 0.000 0.987 161 D CA 1.141 55.206 54.000 0.109 0.000 0.829 161 D CB 0.009 40.862 40.800 0.090 0.000 0.961 161 D HN 0.011 nan 8.370 nan 0.000 0.460 162 D N -0.393 119.997 120.400 -0.017 0.000 2.144 162 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 162 D C 1.969 178.127 176.300 -0.236 0.000 0.978 162 D CA 1.215 55.179 54.000 -0.061 0.000 0.833 162 D CB -0.444 40.274 40.800 -0.137 0.000 0.961 162 D HN 0.278 nan 8.370 nan 0.000 0.470 163 A N 0.661 123.153 122.820 -0.547 0.000 1.902 163 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 163 A C 2.084 179.591 177.584 -0.127 0.000 1.181 163 A CA 1.671 53.419 52.037 -0.483 0.000 0.623 163 A CB -0.938 17.875 19.000 -0.312 0.000 0.818 163 A HN 0.408 nan 8.150 nan 0.000 0.443 164 H N -1.354 117.637 119.070 -0.131 0.000 2.389 164 H HA -0.182 4.373 4.556 -0.000 0.000 0.299 164 H C 2.033 177.226 175.328 -0.225 0.000 1.081 164 H CA 2.050 58.000 56.048 -0.163 0.000 1.345 164 H CB -0.156 29.492 29.762 -0.191 0.000 1.393 164 H HN 0.632 nan 8.280 nan 0.000 0.520 165 H N 0.389 119.202 119.070 -0.429 0.000 2.352 165 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 165 H C 2.619 177.670 175.328 -0.461 0.000 1.097 165 H CA 1.796 57.498 56.048 -0.577 0.000 1.311 165 H CB -0.130 29.320 29.762 -0.520 0.000 1.377 165 H HN 0.330 nan 8.280 nan 0.000 0.504 166 I N 0.168 120.703 120.570 -0.058 0.000 2.226 166 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 166 I C 2.512 178.652 176.117 0.038 0.000 1.100 166 I CA 1.537 62.891 61.300 0.091 0.000 1.374 166 I CB -0.248 37.840 38.000 0.146 0.000 1.057 166 I HN 0.376 nan 8.210 nan 0.000 0.413 167 E N 0.499 120.674 120.200 -0.042 0.000 2.070 167 E HA -0.291 4.058 4.350 -0.000 0.000 0.197 167 E C 2.153 178.760 176.600 0.012 0.000 1.004 167 E CA 1.630 58.024 56.400 -0.010 0.000 0.805 167 E CB -0.117 29.579 29.700 -0.008 0.000 0.744 167 E HN 0.593 nan 8.360 nan 0.000 0.451 168 H N -1.779 117.086 119.070 -0.342 0.000 2.389 168 H HA -0.122 4.433 4.556 -0.000 0.000 0.299 168 H C 1.840 177.017 175.328 -0.251 0.000 1.081 168 H CA 1.083 56.914 56.048 -0.362 0.000 1.345 168 H CB 0.081 29.496 29.762 -0.578 0.000 1.393 168 H HN 0.283 nan 8.280 nan 0.000 0.520 169 Y N 0.748 120.989 120.300 -0.097 0.000 2.256 169 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 169 Y C 2.263 178.123 175.900 -0.066 0.000 1.155 169 Y CA 0.934 58.974 58.100 -0.100 0.000 1.203 169 Y CB -0.192 38.195 38.460 -0.122 0.000 0.980 169 Y HN 0.142 nan 8.280 nan 0.000 0.530 170 L N -0.786 120.499 121.223 0.103 0.000 2.567 170 L HA 0.036 4.376 4.340 -0.000 0.000 0.225 170 L C 0.858 177.734 176.870 0.009 0.000 1.119 170 L CA -0.036 54.834 54.840 0.052 0.000 0.871 170 L CB -0.143 41.945 42.059 0.049 0.000 1.036 170 L HN -0.026 nan 8.230 nan 0.000 0.459 171 E N 1.574 121.757 120.200 -0.028 0.000 2.408 171 E HA -0.045 4.304 4.350 -0.000 0.000 0.259 171 E C -0.135 176.432 176.600 -0.055 0.000 1.110 171 E CA 0.055 56.414 56.400 -0.068 0.000 0.929 171 E CB 0.700 30.303 29.700 -0.160 0.000 0.971 171 E HN 0.146 nan 8.360 nan 0.000 0.438 172 D N 1.580 121.949 120.400 -0.053 0.000 2.845 172 D HA 0.122 4.762 4.640 -0.000 0.000 0.235 172 D C -0.516 175.756 176.300 -0.046 0.000 1.158 172 D CA -0.188 53.790 54.000 -0.038 0.000 0.990 172 D CB -0.059 40.724 40.800 -0.028 0.000 1.094 172 D HN 0.053 nan 8.370 nan 0.000 0.486 173 D N -0.544 119.824 120.400 -0.054 0.000 2.570 173 D HA 0.652 5.292 4.640 -0.000 0.000 0.244 173 D C -1.431 174.846 176.300 -0.038 0.000 1.178 173 D CA -0.447 53.522 54.000 -0.052 0.000 0.881 173 D CB 2.375 43.129 40.800 -0.077 0.000 1.453 173 D HN 0.078 nan 8.370 nan 0.000 0.447 174 T N 0.719 115.256 114.554 -0.029 0.000 2.907 174 T HA 0.210 4.560 4.350 -0.000 0.000 0.344 174 T C 0.410 175.101 174.700 -0.014 0.000 1.675 174 T CA -0.520 61.571 62.100 -0.016 0.000 1.076 174 T CB 0.457 69.322 68.868 -0.004 0.000 1.483 174 T HN 0.275 nan 8.240 nan 0.000 0.487 175 L N 2.253 123.471 121.223 -0.008 0.000 2.376 175 L HA 0.185 4.525 4.340 -0.000 0.000 0.219 175 L C 1.035 177.904 176.870 -0.002 0.000 1.133 175 L CA 0.419 55.256 54.840 -0.006 0.000 0.816 175 L CB -0.031 42.027 42.059 -0.002 0.000 0.933 175 L HN 0.438 nan 8.230 nan 0.000 0.449 176 V N 0.459 120.374 119.914 0.001 0.000 2.655 176 V HA 0.063 4.183 4.120 -0.000 0.000 0.300 176 V C 0.639 176.733 176.094 0.001 0.000 1.044 176 V CA 0.090 62.392 62.300 0.004 0.000 1.095 176 V CB 0.881 32.709 31.823 0.007 0.000 0.952 176 V HN 0.389 nan 8.190 nan 0.000 0.485 177 T N 1.349 115.904 114.554 0.001 0.000 2.930 177 T HA 0.400 4.750 4.350 -0.000 0.000 0.290 177 T C 0.450 175.151 174.700 0.001 0.000 1.052 177 T CA -0.633 61.467 62.100 -0.000 0.000 1.017 177 T CB 1.847 70.715 68.868 -0.001 0.000 1.137 177 T HN 0.375 nan 8.240 nan 0.000 0.511 178 Q N 1.006 120.806 119.800 0.000 0.000 2.124 178 Q HA 0.093 4.433 4.340 -0.000 0.000 0.202 178 Q C 2.282 178.283 176.000 0.001 0.000 0.977 178 Q CA 2.389 58.193 55.803 0.001 0.000 0.850 178 Q CB -1.135 27.602 28.738 0.000 0.000 0.901 178 Q HN 0.985 nan 8.270 nan 0.000 0.429 179 G N -0.118 108.683 108.800 0.001 0.000 2.469 179 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 179 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 179 G C 1.412 176.314 174.900 0.002 0.000 1.150 179 G CA 0.987 46.088 45.100 0.001 0.000 0.763 179 G HN 0.518 nan 8.290 nan 0.000 0.561 180 A N -0.490 122.332 122.820 0.003 0.000 2.067 180 A HA 0.348 4.668 4.320 -0.000 0.000 0.219 180 A C 1.203 178.790 177.584 0.005 0.000 1.158 180 A CA 0.481 52.521 52.037 0.005 0.000 0.661 180 A CB -0.133 18.870 19.000 0.006 0.000 0.801 180 A HN 0.274 nan 8.150 nan 0.000 0.452 181 L N 0.000 121.226 121.223 0.005 0.000 2.949 181 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 181 L CA 0.000 54.843 54.840 0.005 0.000 0.813 181 L CB 0.000 42.062 42.059 0.004 0.000 0.961 181 L HN 0.000 nan 8.230 nan 0.000 0.502