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 1eix_1_D DATA FIRST_RESID 12 DATA SEQUENCE VTNSPVVVAL DYHNRDDALA FVDKIDPRDC RLKVGKEMFT LFGPQFVREL DATA SEQUENCE QQRGFDIFLD LKFHDIPNTA AHAVAAAADL GVWMVNVHAS GGARMMTAAR DATA SEQUENCE EALVPFGKDA PLLIAVTVLT SMEASDLVDL GMTLSPADYA ERLAALTQKC DATA SEQUENCE GLDGVVCSAQ EAVRFKQVFG QEFKLVTPGI RPQGSEAGDQ RRIMTPEQAL DATA SEQUENCE SAGVDYMVIG RPVTQSVDPA QTLKAINASL Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.026 176.094 -0.114 0.000 1.182 12 V CA 0.000 62.227 62.300 -0.121 0.000 1.235 12 V CB 0.000 31.785 31.823 -0.064 0.000 1.184 13 T N 2.626 117.128 114.554 -0.087 0.000 2.853 13 T HA 0.471 4.821 4.350 0.000 0.000 0.311 13 T C -0.247 174.439 174.700 -0.022 0.000 1.307 13 T CA -0.180 61.884 62.100 -0.059 0.000 1.019 13 T CB 1.840 70.671 68.868 -0.061 0.000 1.264 13 T HN 0.736 nan 8.240 nan 0.000 0.497 14 N N 1.145 119.837 118.700 -0.013 0.000 2.299 14 N HA 0.120 4.860 4.740 0.000 0.000 0.187 14 N C 0.460 175.971 175.510 0.002 0.000 1.099 14 N CA 0.063 53.110 53.050 -0.004 0.000 0.867 14 N CB 0.549 39.032 38.487 -0.008 0.000 0.974 14 N HN 0.499 nan 8.380 nan 0.000 0.477 15 S N 2.305 118.012 115.700 0.011 0.000 2.545 15 S HA 0.228 4.698 4.470 0.000 0.000 0.275 15 S C -1.637 172.997 174.600 0.056 0.000 1.299 15 S CA -1.205 57.012 58.200 0.028 0.000 1.048 15 S CB 1.207 64.430 63.200 0.038 0.000 0.938 15 S HN 0.057 nan 8.310 nan 0.000 0.496 16 P HA 0.130 nan 4.420 nan 0.000 0.257 16 P C -0.282 177.119 177.300 0.169 0.000 1.281 16 P CA -0.005 63.142 63.100 0.079 0.000 0.826 16 P CB 0.007 31.692 31.700 -0.024 0.000 1.237 17 V N 1.138 121.130 119.914 0.129 0.000 2.530 17 V HA 0.132 4.252 4.120 0.000 0.000 0.282 17 V C 0.488 176.672 176.094 0.151 0.000 1.048 17 V CA -0.163 62.217 62.300 0.133 0.000 0.997 17 V CB 1.728 33.614 31.823 0.105 0.000 0.987 17 V HN -0.167 nan 8.190 nan 0.000 0.477 18 V N 5.709 125.724 119.914 0.169 0.000 2.409 18 V HA 0.323 4.443 4.120 0.000 0.000 0.290 18 V C -0.160 176.031 176.094 0.162 0.000 1.017 18 V CA -0.599 61.805 62.300 0.173 0.000 0.841 18 V CB 1.821 33.790 31.823 0.243 0.000 1.003 18 V HN 0.614 nan 8.190 nan 0.000 0.426 19 V N 4.064 124.072 119.914 0.157 0.000 2.498 19 V HA 0.550 4.670 4.120 0.000 0.000 0.279 19 V C 0.860 177.036 176.094 0.137 0.000 1.048 19 V CA -0.297 62.093 62.300 0.150 0.000 0.967 19 V CB 1.550 33.511 31.823 0.229 0.000 0.988 19 V HN 0.965 nan 8.190 nan 0.000 0.473 20 A N 6.436 129.309 122.820 0.088 0.000 2.350 20 A HA 0.544 4.864 4.320 0.000 0.000 0.293 20 A C -0.068 177.568 177.584 0.086 0.000 1.231 20 A CA -0.331 51.746 52.037 0.067 0.000 0.883 20 A CB -0.257 18.755 19.000 0.019 0.000 1.133 20 A HN 0.855 nan 8.150 nan 0.000 0.533 21 L N 3.513 124.840 121.223 0.174 0.000 2.375 21 L HA 0.191 4.531 4.340 0.000 0.000 0.276 21 L C -0.549 176.474 176.870 0.254 0.000 1.162 21 L CA -0.227 54.812 54.840 0.331 0.000 0.991 21 L CB 0.083 42.395 42.059 0.421 0.000 1.315 21 L HN 0.556 nan 8.230 nan 0.000 0.431 22 D N 2.361 122.782 120.400 0.036 0.000 2.970 22 D HA 0.223 4.863 4.640 0.000 0.000 0.282 22 D C -0.434 175.812 176.300 -0.090 0.000 1.291 22 D CA -0.003 53.991 54.000 -0.010 0.000 0.967 22 D CB 0.182 40.942 40.800 -0.066 0.000 1.017 22 D HN 0.148 nan 8.370 nan 0.000 0.512 23 Y N -0.822 119.518 120.300 0.067 0.000 2.488 23 Y HA 0.269 4.819 4.550 0.000 0.000 0.325 23 Y C 1.359 177.328 175.900 0.116 0.000 1.204 23 Y CA -0.802 57.344 58.100 0.078 0.000 1.229 23 Y CB 1.127 39.618 38.460 0.051 0.000 1.274 23 Y HN 0.115 nan 8.280 nan 0.000 0.493 24 H N -0.137 119.059 119.070 0.210 0.000 2.542 24 H HA 0.258 4.814 4.556 0.000 0.000 0.283 24 H C -0.854 174.597 175.328 0.204 0.000 1.059 24 H CA -0.151 55.984 56.048 0.145 0.000 1.162 24 H CB 0.197 30.000 29.762 0.068 0.000 1.539 24 H HN 0.599 nan 8.280 nan 0.000 0.543 25 N N -0.541 118.316 118.700 0.262 0.000 2.287 25 N HA 0.159 4.899 4.740 0.000 0.000 0.289 25 N C 0.579 176.000 175.510 -0.148 0.000 1.066 25 N CA -0.662 52.477 53.050 0.148 0.000 0.841 25 N CB 1.352 39.900 38.487 0.101 0.000 1.599 25 N HN 0.017 nan 8.380 nan 0.000 0.476 26 R N 1.759 121.954 120.500 -0.509 0.000 2.062 26 R HA -0.072 4.268 4.340 0.000 0.000 0.231 26 R C 0.179 176.249 176.300 -0.384 0.000 1.136 26 R CA 1.703 57.305 56.100 -0.830 0.000 0.948 26 R CB -0.111 29.535 30.300 -1.090 0.000 0.845 26 R HN 0.664 nan 8.270 nan 0.000 0.430 27 D N 0.527 120.779 120.400 -0.245 0.000 2.144 27 D HA -0.165 4.475 4.640 0.000 0.000 0.199 27 D C 1.473 177.680 176.300 -0.156 0.000 0.984 27 D CA 1.135 55.044 54.000 -0.152 0.000 0.834 27 D CB -0.425 40.319 40.800 -0.094 0.000 0.955 27 D HN 0.264 nan 8.370 nan 0.000 0.465 28 D N 0.261 120.563 120.400 -0.164 0.000 2.149 28 D HA -0.094 4.546 4.640 0.000 0.000 0.198 28 D C 1.907 177.910 176.300 -0.495 0.000 0.990 28 D CA 1.304 55.197 54.000 -0.179 0.000 0.839 28 D CB -0.031 40.751 40.800 -0.030 0.000 0.948 28 D HN 0.121 nan 8.370 nan 0.000 0.460 29 A N -0.015 122.417 122.820 -0.647 0.000 1.897 29 A HA -0.011 4.309 4.320 0.000 0.000 0.215 29 A C 2.475 179.885 177.584 -0.290 0.000 1.181 29 A CA 0.667 52.217 52.037 -0.811 0.000 0.620 29 A CB -0.613 18.154 19.000 -0.387 0.000 0.821 29 A HN 0.309 nan 8.150 nan 0.000 0.443 30 L N -0.720 120.398 121.223 -0.174 0.000 2.156 30 L HA -0.130 4.210 4.340 0.000 0.000 0.208 30 L C 3.023 179.829 176.870 -0.106 0.000 1.095 30 L CA 0.790 55.563 54.840 -0.111 0.000 0.770 30 L CB -0.545 41.469 42.059 -0.075 0.000 0.914 30 L HN 0.438 nan 8.230 nan 0.000 0.439 31 A N 0.198 122.961 122.820 -0.095 0.000 1.940 31 A HA -0.276 4.044 4.320 0.000 0.000 0.219 31 A C 2.134 179.724 177.584 0.010 0.000 1.176 31 A CA 1.709 53.723 52.037 -0.038 0.000 0.631 31 A CB -0.674 18.312 19.000 -0.022 0.000 0.814 31 A HN 0.440 nan 8.150 nan 0.000 0.446 32 F N 0.597 120.467 119.950 -0.134 0.000 2.149 32 F HA -0.049 4.478 4.527 0.000 0.000 0.294 32 F C 2.142 177.903 175.800 -0.066 0.000 1.095 32 F CA 1.591 59.548 58.000 -0.071 0.000 1.276 32 F CB -0.589 38.382 39.000 -0.048 0.000 1.023 32 F HN -0.006 nan 8.300 nan 0.000 0.480 33 V N 0.965 120.573 119.914 -0.510 0.000 2.407 33 V HA -0.283 3.837 4.120 0.000 0.000 0.248 33 V C 1.936 177.841 176.094 -0.315 0.000 1.055 33 V CA 2.188 64.124 62.300 -0.607 0.000 1.049 33 V CB -0.815 30.735 31.823 -0.455 0.000 0.662 33 V HN 0.301 nan 8.190 nan 0.000 0.455 34 D N -0.039 120.251 120.400 -0.184 0.000 2.310 34 D HA -0.104 4.537 4.640 0.000 0.000 0.212 34 D C 2.015 178.270 176.300 -0.076 0.000 0.965 34 D CA 0.921 54.869 54.000 -0.086 0.000 0.879 34 D CB -0.053 40.713 40.800 -0.057 0.000 0.921 34 D HN 0.469 nan 8.370 nan 0.000 0.510 35 K N 0.082 120.410 120.400 -0.120 0.000 2.361 35 K HA 0.164 4.484 4.320 0.000 0.000 0.194 35 K C 1.199 177.750 176.600 -0.081 0.000 1.032 35 K CA 0.057 56.304 56.287 -0.068 0.000 1.048 35 K CB 0.793 33.288 32.500 -0.009 0.000 0.842 35 K HN 0.261 nan 8.250 nan 0.000 0.526 36 I N -3.100 117.375 120.570 -0.159 0.000 3.217 36 I HA 0.416 4.586 4.170 0.000 0.000 0.308 36 I C -0.619 175.529 176.117 0.053 0.000 1.091 36 I CA -1.013 60.239 61.300 -0.079 0.000 1.013 36 I CB 1.368 39.250 38.000 -0.197 0.000 1.250 36 I HN -0.245 nan 8.210 nan 0.000 0.496 37 D N 0.940 121.377 120.400 0.062 0.000 2.575 37 D HA 0.388 5.028 4.640 0.000 0.000 0.236 37 D C -2.283 173.898 176.300 -0.197 0.000 1.075 37 D CA -1.980 51.984 54.000 -0.060 0.000 0.860 37 D CB 2.934 43.684 40.800 -0.083 0.000 1.475 37 D HN 0.214 nan 8.370 nan 0.000 0.474 38 P HA -0.134 nan 4.420 nan 0.000 0.220 38 P C 0.967 178.072 177.300 -0.326 0.000 1.144 38 P CA 1.272 63.822 63.100 -0.916 0.000 0.800 38 P CB 0.086 31.236 31.700 -0.916 0.000 0.772 39 R N -1.654 118.722 120.500 -0.206 0.000 2.297 39 R HA 0.094 4.434 4.340 0.000 0.000 0.197 39 R C 0.865 177.139 176.300 -0.043 0.000 0.943 39 R CA 0.661 56.694 56.100 -0.111 0.000 1.038 39 R CB -0.572 29.670 30.300 -0.096 0.000 0.957 39 R HN 0.114 nan 8.270 nan 0.000 0.484 40 D N 1.214 121.611 120.400 -0.005 0.000 2.213 40 D HA 0.012 4.652 4.640 0.000 0.000 0.205 40 D C 1.102 177.445 176.300 0.072 0.000 0.961 40 D CA 1.041 55.066 54.000 0.042 0.000 0.853 40 D CB 0.298 41.138 40.800 0.067 0.000 0.967 40 D HN 0.455 nan 8.370 nan 0.000 0.496 41 C N -1.677 117.681 119.300 0.096 0.000 3.167 41 C HA 0.605 5.065 4.460 0.000 0.000 0.348 41 C C -1.051 174.007 174.990 0.114 0.000 1.394 41 C CA -1.387 57.692 59.018 0.103 0.000 1.204 41 C CB 1.681 29.507 27.740 0.143 0.000 1.467 41 C HN -0.034 nan 8.230 nan 0.000 0.446 42 R N 0.274 120.803 120.500 0.047 0.000 2.828 42 R HA 0.883 5.223 4.340 0.000 0.000 0.264 42 R C -1.167 175.168 176.300 0.058 0.000 1.022 42 R CA -0.668 55.417 56.100 -0.024 0.000 1.021 42 R CB 1.413 31.512 30.300 -0.336 0.000 1.163 42 R HN 0.682 nan 8.270 nan 0.000 0.494 43 L N 1.102 122.354 121.223 0.049 0.000 2.346 43 L HA 0.524 4.864 4.340 0.000 0.000 0.274 43 L C -0.294 176.653 176.870 0.128 0.000 1.007 43 L CA -0.786 54.082 54.840 0.048 0.000 0.818 43 L CB 1.790 43.781 42.059 -0.114 0.000 1.284 43 L HN 0.386 nan 8.230 nan 0.000 0.424 44 K N 1.929 122.405 120.400 0.128 0.000 2.307 44 K HA 0.557 4.878 4.320 0.000 0.000 0.263 44 K C -1.431 175.192 176.600 0.038 0.000 0.973 44 K CA -0.549 55.784 56.287 0.077 0.000 0.846 44 K CB 1.796 34.326 32.500 0.050 0.000 1.100 44 K HN 0.362 nan 8.250 nan 0.000 0.438 45 V N 3.894 123.816 119.914 0.013 0.000 2.350 45 V HA 0.426 4.546 4.120 0.000 0.000 0.276 45 V C 0.747 176.842 176.094 0.002 0.000 1.028 45 V CA -0.538 61.838 62.300 0.127 0.000 0.860 45 V CB 1.078 33.051 31.823 0.251 0.000 0.990 45 V HN 0.962 nan 8.190 nan 0.000 0.453 46 G N 3.362 112.184 108.800 0.038 0.000 2.671 46 G HA2 0.395 4.355 3.960 0.000 0.000 0.275 46 G HA3 0.395 4.355 3.960 0.000 0.000 0.275 46 G C 0.541 175.468 174.900 0.044 0.000 1.368 46 G CA -0.591 44.482 45.100 -0.045 0.000 1.044 46 G HN 0.625 nan 8.290 nan 0.000 0.543 47 K N -0.599 119.801 120.400 0.001 0.000 2.097 47 K HA -0.101 4.219 4.320 0.000 0.000 0.206 47 K C 2.160 178.803 176.600 0.073 0.000 1.049 47 K CA 1.518 57.835 56.287 0.050 0.000 0.933 47 K CB 0.027 32.540 32.500 0.020 0.000 0.717 47 K HN 0.661 nan 8.250 nan 0.000 0.442 48 E N 1.168 121.397 120.200 0.047 0.000 2.007 48 E HA -0.192 4.158 4.350 0.000 0.000 0.194 48 E C 2.031 178.611 176.600 -0.034 0.000 0.999 48 E CA 1.319 57.728 56.400 0.015 0.000 0.811 48 E CB 0.042 29.769 29.700 0.046 0.000 0.762 48 E HN 0.208 nan 8.360 nan 0.000 0.450 49 M N -0.412 119.221 119.600 0.055 0.000 2.254 49 M HA -0.064 4.416 4.480 0.000 0.000 0.265 49 M C 2.132 178.490 176.300 0.097 0.000 1.066 49 M CA 0.861 56.206 55.300 0.075 0.000 1.123 49 M CB -0.174 32.528 32.600 0.169 0.000 1.388 49 M HN 0.178 nan 8.290 nan 0.000 0.425 50 F N 1.108 121.092 119.950 0.055 0.000 2.259 50 F HA -0.107 4.420 4.527 0.000 0.000 0.298 50 F C 2.281 178.071 175.800 -0.017 0.000 1.088 50 F CA 1.347 59.392 58.000 0.075 0.000 1.358 50 F CB -0.145 38.898 39.000 0.072 0.000 1.040 50 F HN -0.002 nan 8.300 nan 0.000 0.505 51 T N 0.780 115.384 114.554 0.084 0.000 2.951 51 T HA -0.084 4.266 4.350 0.000 0.000 0.268 51 T C 2.087 176.636 174.700 -0.252 0.000 1.073 51 T CA 1.251 63.336 62.100 -0.026 0.000 1.134 51 T CB -0.216 68.643 68.868 -0.015 0.000 0.884 51 T HN 0.204 nan 8.240 nan 0.000 0.479 52 L N -0.960 119.985 121.223 -0.462 0.000 2.162 52 L HA 0.176 4.516 4.340 0.000 0.000 0.205 52 L C 1.489 177.680 176.870 -1.131 0.000 1.086 52 L CA 1.256 55.537 54.840 -0.933 0.000 0.778 52 L CB -0.086 41.103 42.059 -1.450 0.000 0.928 52 L HN 0.287 nan 8.230 nan 0.000 0.446 53 F N -1.325 118.462 119.950 -0.272 0.000 2.784 53 F HA 0.421 4.948 4.527 0.000 0.000 0.323 53 F C 1.410 177.031 175.800 -0.298 0.000 1.085 53 F CA 0.154 58.000 58.000 -0.256 0.000 1.196 53 F CB 0.115 38.935 39.000 -0.299 0.000 1.053 53 F HN 0.060 nan 8.300 nan 0.000 0.578 54 G N 2.241 110.753 108.800 -0.479 0.000 2.698 54 G HA2 -0.250 3.710 3.960 0.000 0.000 0.233 54 G HA3 -0.250 3.710 3.960 0.000 0.000 0.233 54 G C -1.722 172.751 174.900 -0.711 0.000 1.352 54 G CA -0.268 44.271 45.100 -0.936 0.000 0.879 54 G HN 0.079 nan 8.290 nan 0.000 0.567 55 P HA -0.160 nan 4.420 nan 0.000 0.218 55 P C 1.538 178.886 177.300 0.080 0.000 1.148 55 P CA 2.116 65.270 63.100 0.090 0.000 0.822 55 P CB 0.015 31.831 31.700 0.193 0.000 0.784 56 Q N -0.327 119.499 119.800 0.043 0.000 2.135 56 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 56 Q C 1.928 177.989 176.000 0.103 0.000 0.981 56 Q CA 1.464 57.307 55.803 0.066 0.000 0.856 56 Q CB -1.395 27.377 28.738 0.058 0.000 0.902 56 Q HN 0.186 nan 8.270 nan 0.000 0.425 57 F N -0.797 119.139 119.950 -0.024 0.000 2.186 57 F HA -0.069 4.459 4.527 0.000 0.000 0.299 57 F C 1.694 177.501 175.800 0.012 0.000 1.090 57 F CA 0.940 58.923 58.000 -0.029 0.000 1.307 57 F CB -0.280 38.715 39.000 -0.009 0.000 1.019 57 F HN -0.039 nan 8.300 nan 0.000 0.489 58 V N 1.200 121.089 119.914 -0.041 0.000 2.358 58 V HA -0.252 3.868 4.120 0.000 0.000 0.246 58 V C 2.538 178.576 176.094 -0.093 0.000 1.047 58 V CA 2.013 64.258 62.300 -0.091 0.000 1.035 58 V CB -0.671 31.235 31.823 0.139 0.000 0.658 58 V HN 0.252 nan 8.190 nan 0.000 0.452 59 R N 0.112 120.600 120.500 -0.020 0.000 2.083 59 R HA -0.198 4.142 4.340 0.000 0.000 0.237 59 R C 2.281 178.552 176.300 -0.048 0.000 1.137 59 R CA 1.835 57.930 56.100 -0.008 0.000 0.951 59 R CB -0.409 29.904 30.300 0.022 0.000 0.851 59 R HN 0.627 nan 8.270 nan 0.000 0.434 60 E N 0.763 120.913 120.200 -0.084 0.000 2.118 60 E HA -0.178 4.172 4.350 0.000 0.000 0.195 60 E C 2.099 178.618 176.600 -0.135 0.000 0.992 60 E CA 1.042 57.386 56.400 -0.094 0.000 0.804 60 E CB -0.127 29.525 29.700 -0.080 0.000 0.741 60 E HN 0.317 nan 8.360 nan 0.000 0.458 61 L N 0.602 121.670 121.223 -0.258 0.000 2.109 61 L HA -0.185 4.155 4.340 0.000 0.000 0.207 61 L C 2.462 179.334 176.870 0.002 0.000 1.086 61 L CA 1.064 55.776 54.840 -0.213 0.000 0.760 61 L CB -0.308 41.511 42.059 -0.400 0.000 0.910 61 L HN 0.122 nan 8.230 nan 0.000 0.437 62 Q N -0.558 119.232 119.800 -0.017 0.000 2.224 62 Q HA -0.233 4.107 4.340 0.000 0.000 0.203 62 Q C 2.197 178.210 176.000 0.021 0.000 0.970 62 Q CA 1.010 56.831 55.803 0.030 0.000 0.865 62 Q CB 0.003 28.755 28.738 0.024 0.000 0.922 62 Q HN 0.371 nan 8.270 nan 0.000 0.445 63 Q N 0.588 120.392 119.800 0.006 0.000 2.124 63 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 63 Q C 1.492 177.493 176.000 0.002 0.000 0.977 63 Q CA 1.349 57.152 55.803 -0.000 0.000 0.850 63 Q CB 0.138 28.871 28.738 -0.007 0.000 0.901 63 Q HN 0.116 nan 8.270 nan 0.000 0.429 64 R N -1.440 119.087 120.500 0.045 0.000 2.316 64 R HA 0.127 4.467 4.340 0.000 0.000 0.202 64 R C 1.065 177.308 176.300 -0.095 0.000 1.029 64 R CA 0.854 56.986 56.100 0.053 0.000 1.018 64 R CB 0.048 30.507 30.300 0.265 0.000 0.888 64 R HN 0.386 nan 8.270 nan 0.000 0.471 65 G N -1.266 107.490 108.800 -0.074 0.000 2.176 65 G HA2 -0.265 3.695 3.960 0.000 0.000 0.232 65 G HA3 -0.265 3.695 3.960 0.000 0.000 0.232 65 G C -0.007 174.739 174.900 -0.257 0.000 0.986 65 G CA -0.511 44.478 45.100 -0.185 0.000 0.643 65 G HN 0.187 nan 8.290 nan 0.000 0.522 66 F N 1.537 121.422 119.950 -0.108 0.000 2.410 66 F HA 0.490 5.017 4.527 0.000 0.000 0.334 66 F C 0.738 176.457 175.800 -0.135 0.000 1.134 66 F CA -0.455 57.465 58.000 -0.132 0.000 1.227 66 F CB 0.611 39.533 39.000 -0.129 0.000 1.194 66 F HN -0.108 nan 8.300 nan 0.000 0.571 67 D N 2.444 122.825 120.400 -0.031 0.000 2.264 67 D HA 0.282 4.922 4.640 0.000 0.000 0.250 67 D C -0.256 176.057 176.300 0.021 0.000 1.113 67 D CA 0.038 53.952 54.000 -0.145 0.000 0.871 67 D CB 1.029 41.375 40.800 -0.756 0.000 1.167 67 D HN 0.055 nan 8.370 nan 0.000 0.447 68 I N 2.882 123.565 120.570 0.188 0.000 2.378 68 I HA 0.195 4.365 4.170 0.000 0.000 0.291 68 I C -0.256 176.111 176.117 0.416 0.000 0.992 68 I CA -0.864 60.572 61.300 0.227 0.000 1.154 68 I CB 0.809 38.888 38.000 0.131 0.000 1.315 68 I HN 0.188 nan 8.210 nan 0.000 0.448 69 F N 8.457 128.541 119.950 0.223 0.000 2.350 69 F HA 0.380 4.907 4.527 0.000 0.000 0.365 69 F C -0.617 175.201 175.800 0.030 0.000 1.122 69 F CA -1.678 56.417 58.000 0.158 0.000 1.139 69 F CB 0.866 39.974 39.000 0.180 0.000 1.220 69 F HN 0.274 nan 8.300 nan 0.000 0.499 70 L N 6.754 128.057 121.223 0.132 0.000 2.363 70 L HA 0.242 4.582 4.340 0.000 0.000 0.286 70 L C -0.433 176.153 176.870 -0.475 0.000 1.106 70 L CA 0.203 54.942 54.840 -0.168 0.000 0.859 70 L CB -0.202 41.787 42.059 -0.118 0.000 1.223 70 L HN 0.582 nan 8.230 nan 0.000 0.446 71 D N 4.679 124.646 120.400 -0.722 0.000 2.524 71 D HA 0.167 4.807 4.640 0.000 0.000 0.222 71 D C 0.505 176.487 176.300 -0.529 0.000 1.142 71 D CA 0.083 53.586 54.000 -0.829 0.000 0.973 71 D CB 0.131 40.327 40.800 -1.008 0.000 1.025 71 D HN 0.635 nan 8.370 nan 0.000 0.519 72 L N 1.910 122.760 121.223 -0.621 0.000 2.693 72 L HA 0.211 4.551 4.340 0.000 0.000 0.235 72 L C 0.703 177.287 176.870 -0.475 0.000 1.127 72 L CA -0.353 54.154 54.840 -0.555 0.000 0.914 72 L CB -0.118 41.519 42.059 -0.703 0.000 1.193 72 L HN 0.237 nan 8.230 nan 0.000 0.502 73 K N 1.373 121.470 120.400 -0.505 0.000 3.777 73 K HA -0.202 4.119 4.320 0.000 0.000 0.276 73 K C -0.429 176.150 176.600 -0.034 0.000 0.877 73 K CA 0.406 56.498 56.287 -0.325 0.000 0.724 73 K CB -1.832 30.493 32.500 -0.291 0.000 1.589 73 K HN 0.175 nan 8.250 nan 0.000 0.444 74 F N 1.175 121.141 119.950 0.026 0.000 2.612 74 F HA -0.080 4.447 4.527 0.000 0.000 0.389 74 F C 1.474 177.392 175.800 0.196 0.000 1.055 74 F CA 0.230 58.279 58.000 0.081 0.000 1.232 74 F CB 0.185 39.202 39.000 0.028 0.000 1.044 74 F HN 0.328 nan 8.300 nan 0.000 0.560 75 H N 3.109 122.351 119.070 0.288 0.000 2.596 75 H HA 0.189 4.745 4.556 0.000 0.000 0.240 75 H C -1.290 174.100 175.328 0.104 0.000 1.406 75 H CA -0.689 55.470 56.048 0.185 0.000 1.504 75 H CB 0.166 30.021 29.762 0.155 0.000 1.688 75 H HN 0.683 nan 8.280 nan 0.000 0.546 76 D N 2.040 122.567 120.400 0.212 0.000 2.781 76 D HA 0.187 4.827 4.640 0.000 0.000 0.295 76 D C 0.379 176.711 176.300 0.055 0.000 1.143 76 D CA -0.596 53.441 54.000 0.061 0.000 1.076 76 D CB 2.296 43.107 40.800 0.018 0.000 1.444 76 D HN 0.533 nan 8.370 nan 0.000 0.567 77 I N -1.441 119.130 120.570 0.001 0.000 2.993 77 I HA 0.179 4.349 4.170 0.000 0.000 0.286 77 I C -1.728 174.381 176.117 -0.014 0.000 1.215 77 I CA -1.137 60.159 61.300 -0.006 0.000 1.393 77 I CB 0.222 38.204 38.000 -0.031 0.000 1.371 77 I HN 0.134 nan 8.210 nan 0.000 0.602 78 P HA -0.217 nan 4.420 nan 0.000 0.216 78 P C 1.319 178.585 177.300 -0.058 0.000 1.157 78 P CA 1.783 64.876 63.100 -0.012 0.000 0.880 78 P CB -0.163 31.536 31.700 -0.003 0.000 0.791 79 N N -1.268 117.369 118.700 -0.104 0.000 2.061 79 N HA -0.152 4.588 4.740 0.000 0.000 0.193 79 N C 1.477 176.771 175.510 -0.361 0.000 1.030 79 N CA 2.098 55.009 53.050 -0.231 0.000 0.856 79 N CB -0.348 37.997 38.487 -0.236 0.000 1.023 79 N HN 0.091 nan 8.380 nan 0.000 0.424 80 T N 0.814 115.223 114.554 -0.241 0.000 2.737 80 T HA 0.001 4.351 4.350 0.000 0.000 0.265 80 T C 1.999 176.588 174.700 -0.185 0.000 1.038 80 T CA 1.199 63.168 62.100 -0.217 0.000 1.144 80 T CB -0.436 68.345 68.868 -0.144 0.000 0.866 80 T HN 0.428 nan 8.240 nan 0.000 0.434 81 A N 1.621 124.369 122.820 -0.119 0.000 1.917 81 A HA 0.011 4.332 4.320 0.000 0.000 0.219 81 A C 2.631 180.175 177.584 -0.067 0.000 1.182 81 A CA 2.090 54.075 52.037 -0.087 0.000 0.633 81 A CB -1.171 17.847 19.000 0.029 0.000 0.819 81 A HN 0.521 nan 8.150 nan 0.000 0.448 82 A N -1.153 121.665 122.820 -0.004 0.000 1.877 82 A HA -0.141 4.179 4.320 0.000 0.000 0.216 82 A C 2.035 179.716 177.584 0.161 0.000 1.186 82 A CA 1.924 54.014 52.037 0.089 0.000 0.620 82 A CB -0.842 18.238 19.000 0.133 0.000 0.822 82 A HN 0.617 nan 8.150 nan 0.000 0.443 83 H N -0.155 118.870 119.070 -0.074 0.000 2.357 83 H HA 0.100 4.656 4.556 0.000 0.000 0.301 83 H C 2.481 177.725 175.328 -0.141 0.000 1.082 83 H CA 1.113 57.119 56.048 -0.070 0.000 1.342 83 H CB -0.692 29.031 29.762 -0.065 0.000 1.389 83 H HN 0.484 nan 8.280 nan 0.000 0.511 84 A N 0.402 123.113 122.820 -0.182 0.000 1.883 84 A HA -0.143 4.178 4.320 0.000 0.000 0.217 84 A C 2.671 180.064 177.584 -0.318 0.000 1.186 84 A CA 1.866 53.592 52.037 -0.518 0.000 0.624 84 A CB -0.922 17.236 19.000 -1.402 0.000 0.822 84 A HN 0.251 nan 8.150 nan 0.000 0.444 85 V N -0.187 119.627 119.914 -0.167 0.000 2.490 85 V HA -0.233 3.888 4.120 0.000 0.000 0.250 85 V C 2.987 179.060 176.094 -0.034 0.000 1.061 85 V CA 1.818 64.156 62.300 0.064 0.000 1.064 85 V CB -1.203 30.675 31.823 0.091 0.000 0.670 85 V HN 0.627 nan 8.190 nan 0.000 0.461 86 A N 0.136 122.947 122.820 -0.015 0.000 1.898 86 A HA -0.062 4.258 4.320 0.000 0.000 0.216 86 A C 2.450 180.011 177.584 -0.038 0.000 1.181 86 A CA 1.862 53.907 52.037 0.012 0.000 0.620 86 A CB -0.770 18.323 19.000 0.155 0.000 0.819 86 A HN 0.552 nan 8.150 nan 0.000 0.442 87 A N -0.112 122.707 122.820 -0.001 0.000 1.940 87 A HA 0.131 4.451 4.320 0.000 0.000 0.219 87 A C 2.451 180.044 177.584 0.015 0.000 1.176 87 A CA 2.096 54.150 52.037 0.028 0.000 0.631 87 A CB -0.902 18.118 19.000 0.033 0.000 0.814 87 A HN 1.048 nan 8.150 nan 0.000 0.446 88 A N -0.332 122.491 122.820 0.004 0.000 1.930 88 A HA 0.234 4.554 4.320 0.000 0.000 0.217 88 A C 2.444 179.957 177.584 -0.119 0.000 1.175 88 A CA 1.795 53.837 52.037 0.008 0.000 0.627 88 A CB -0.829 18.226 19.000 0.092 0.000 0.815 88 A HN 1.005 nan 8.150 nan 0.000 0.443 89 A N -0.296 122.323 122.820 -0.334 0.000 1.930 89 A HA -0.147 4.173 4.320 0.000 0.000 0.217 89 A C 1.802 179.143 177.584 -0.405 0.000 1.175 89 A CA 1.632 53.270 52.037 -0.665 0.000 0.627 89 A CB -0.446 17.461 19.000 -1.821 0.000 0.815 89 A HN 0.457 nan 8.150 nan 0.000 0.443 90 D N -0.294 120.002 120.400 -0.174 0.000 2.178 90 D HA -0.089 4.551 4.640 0.000 0.000 0.202 90 D C 1.736 178.075 176.300 0.066 0.000 0.974 90 D CA 0.742 54.795 54.000 0.089 0.000 0.841 90 D CB -0.125 40.762 40.800 0.145 0.000 0.953 90 D HN 0.421 nan 8.370 nan 0.000 0.478 91 L N 0.051 121.298 121.223 0.041 0.000 2.465 91 L HA -0.019 4.321 4.340 0.000 0.000 0.224 91 L C 1.163 178.068 176.870 0.057 0.000 1.145 91 L CA 0.711 55.594 54.840 0.072 0.000 0.834 91 L CB -0.183 41.939 42.059 0.104 0.000 0.944 91 L HN 0.153 nan 8.230 nan 0.000 0.451 92 G N 0.317 109.131 108.800 0.025 0.000 2.179 92 G HA2 -0.282 3.678 3.960 0.000 0.000 0.257 92 G HA3 -0.282 3.678 3.960 0.000 0.000 0.257 92 G C 0.388 175.321 174.900 0.054 0.000 1.010 92 G CA 0.407 45.528 45.100 0.035 0.000 0.736 92 G HN 0.390 nan 8.290 nan 0.000 0.513 93 V N -3.494 116.450 119.914 0.050 0.000 3.287 93 V HA 0.469 4.589 4.120 0.000 0.000 0.306 93 V C 1.531 177.702 176.094 0.129 0.000 1.103 93 V CA 0.632 62.993 62.300 0.102 0.000 1.159 93 V CB 0.753 32.631 31.823 0.092 0.000 1.036 93 V HN 0.591 nan 8.190 nan 0.000 0.487 94 W N 3.046 124.338 121.300 -0.013 0.000 2.453 94 W HA 0.272 4.932 4.660 0.000 0.000 0.289 94 W C 0.699 177.161 176.519 -0.094 0.000 1.215 94 W CA 0.884 58.200 57.345 -0.048 0.000 1.297 94 W CB 0.246 29.677 29.460 -0.047 0.000 1.113 94 W HN 0.704 nan 8.180 nan 0.000 0.551 95 M N 0.705 120.182 119.600 -0.204 0.000 2.484 95 M HA 0.485 4.965 4.480 0.000 0.000 0.289 95 M C -2.130 174.131 176.300 -0.065 0.000 1.206 95 M CA -0.799 54.197 55.300 -0.507 0.000 0.892 95 M CB 2.052 33.982 32.600 -1.117 0.000 1.712 95 M HN -0.331 nan 8.290 nan 0.000 0.462 96 V N 3.527 123.367 119.914 -0.123 0.000 2.841 96 V HA 0.597 4.717 4.120 0.000 0.000 0.310 96 V C -1.228 174.862 176.094 -0.007 0.000 1.090 96 V CA -0.653 61.647 62.300 -0.000 0.000 0.930 96 V CB 2.456 34.251 31.823 -0.047 0.000 1.014 96 V HN 0.986 nan 8.190 nan 0.000 0.425 97 N N 2.532 121.201 118.700 -0.052 0.000 2.495 97 N HA 0.780 5.520 4.740 0.000 0.000 0.280 97 N C -1.167 174.210 175.510 -0.221 0.000 1.168 97 N CA -0.104 52.871 53.050 -0.125 0.000 0.978 97 N CB 1.878 40.242 38.487 -0.205 0.000 1.191 97 N HN 0.499 nan 8.380 nan 0.000 0.497 98 V N 1.226 121.050 119.914 -0.150 0.000 3.077 98 V HA 0.155 4.275 4.120 0.000 0.000 0.299 98 V C -1.167 174.857 176.094 -0.118 0.000 1.276 98 V CA -0.758 61.512 62.300 -0.049 0.000 0.993 98 V CB 2.123 33.960 31.823 0.024 0.000 1.076 98 V HN 0.654 nan 8.190 nan 0.000 0.434 99 H N 2.577 121.607 119.070 -0.066 0.000 2.562 99 H HA 0.461 5.017 4.556 0.000 0.000 0.314 99 H C 0.860 176.060 175.328 -0.214 0.000 1.079 99 H CA 0.522 56.464 56.048 -0.177 0.000 1.349 99 H CB 2.135 31.694 29.762 -0.339 0.000 1.432 99 H HN 0.836 nan 8.280 nan 0.000 0.479 100 A N 3.055 125.851 122.820 -0.039 0.000 2.015 100 A HA -0.146 4.174 4.320 0.000 0.000 0.219 100 A C 2.056 179.581 177.584 -0.098 0.000 1.163 100 A CA 1.393 53.386 52.037 -0.073 0.000 0.646 100 A CB -0.305 18.640 19.000 -0.091 0.000 0.806 100 A HN 0.665 nan 8.150 nan 0.000 0.448 101 S N -0.537 115.076 115.700 -0.145 0.000 2.603 101 S HA 0.124 4.594 4.470 0.000 0.000 0.229 101 S C 1.525 176.034 174.600 -0.151 0.000 0.972 101 S CA 0.607 58.735 58.200 -0.120 0.000 0.935 101 S CB -0.498 62.665 63.200 -0.062 0.000 0.769 101 S HN 0.604 nan 8.310 nan 0.000 0.536 102 G N 0.883 109.541 108.800 -0.237 0.000 2.712 102 G HA2 0.466 4.426 3.960 0.000 0.000 0.212 102 G HA3 0.466 4.426 3.960 0.000 0.000 0.212 102 G C 0.816 175.751 174.900 0.058 0.000 1.142 102 G CA 0.004 45.090 45.100 -0.023 0.000 0.789 102 G HN 1.157 nan 8.290 nan 0.000 0.535 103 G N -1.580 107.231 108.800 0.018 0.000 2.707 103 G HA2 0.267 4.227 3.960 0.000 0.000 0.686 103 G HA3 0.267 4.227 3.960 0.000 0.000 0.686 103 G C 0.910 175.821 174.900 0.019 0.000 1.315 103 G CA 0.032 45.149 45.100 0.028 0.000 0.832 103 G HN 1.050 nan 8.290 nan 0.000 0.573 104 A N 0.191 123.020 122.820 0.016 0.000 1.858 104 A HA -0.026 4.295 4.320 0.000 0.000 0.216 104 A C 2.450 180.043 177.584 0.016 0.000 1.190 104 A CA 2.361 54.404 52.037 0.010 0.000 0.617 104 A CB -0.424 18.580 19.000 0.007 0.000 0.827 104 A HN 0.857 nan 8.150 nan 0.000 0.443 105 R N -1.389 119.123 120.500 0.020 0.000 2.091 105 R HA -0.148 4.192 4.340 0.000 0.000 0.238 105 R C 2.378 178.693 176.300 0.026 0.000 1.136 105 R CA 1.820 57.933 56.100 0.021 0.000 0.959 105 R CB -0.375 29.937 30.300 0.021 0.000 0.856 105 R HN 0.682 nan 8.270 nan 0.000 0.437 106 M N -0.018 119.603 119.600 0.034 0.000 2.132 106 M HA -0.174 4.306 4.480 0.000 0.000 0.263 106 M C 2.007 178.332 176.300 0.042 0.000 1.065 106 M CA 1.644 56.971 55.300 0.044 0.000 1.122 106 M CB 0.090 32.731 32.600 0.069 0.000 1.365 106 M HN 0.193 nan 8.290 nan 0.000 0.411 107 M N -0.971 118.649 119.600 0.032 0.000 2.132 107 M HA -0.149 4.332 4.480 0.000 0.000 0.263 107 M C 1.875 178.189 176.300 0.024 0.000 1.065 107 M CA 1.654 56.968 55.300 0.025 0.000 1.122 107 M CB -0.618 31.986 32.600 0.008 0.000 1.365 107 M HN 0.261 nan 8.290 nan 0.000 0.411 108 T N 0.919 115.486 114.554 0.021 0.000 2.833 108 T HA -0.077 4.274 4.350 0.000 0.000 0.269 108 T C 1.834 176.552 174.700 0.030 0.000 1.054 108 T CA 1.449 63.561 62.100 0.021 0.000 1.135 108 T CB -0.223 68.656 68.868 0.017 0.000 0.869 108 T HN 0.486 nan 8.240 nan 0.000 0.466 109 A N 1.200 124.040 122.820 0.033 0.000 1.930 109 A HA 0.263 4.583 4.320 0.000 0.000 0.217 109 A C 2.605 180.221 177.584 0.054 0.000 1.175 109 A CA 1.590 53.653 52.037 0.042 0.000 0.627 109 A CB -0.917 18.104 19.000 0.035 0.000 0.815 109 A HN 0.491 nan 8.150 nan 0.000 0.443 110 A N -0.150 122.701 122.820 0.051 0.000 1.898 110 A HA -0.133 4.187 4.320 0.000 0.000 0.216 110 A C 2.255 179.869 177.584 0.051 0.000 1.181 110 A CA 1.653 53.726 52.037 0.059 0.000 0.620 110 A CB -0.482 18.557 19.000 0.065 0.000 0.819 110 A HN 0.549 nan 8.150 nan 0.000 0.442 111 R N -0.033 120.490 120.500 0.038 0.000 2.073 111 R HA -0.150 4.190 4.340 0.000 0.000 0.234 111 R C 1.968 178.298 176.300 0.050 0.000 1.134 111 R CA 1.764 57.884 56.100 0.034 0.000 0.952 111 R CB -0.320 29.993 30.300 0.023 0.000 0.850 111 R HN 0.657 nan 8.270 nan 0.000 0.433 112 E N -0.045 120.186 120.200 0.051 0.000 2.160 112 E HA -0.180 4.170 4.350 0.000 0.000 0.195 112 E C 1.834 178.483 176.600 0.082 0.000 0.991 112 E CA 1.098 57.531 56.400 0.056 0.000 0.810 112 E CB -0.094 29.634 29.700 0.046 0.000 0.742 112 E HN 0.485 nan 8.360 nan 0.000 0.466 113 A N 0.774 123.654 122.820 0.100 0.000 2.067 113 A HA -0.091 4.229 4.320 0.000 0.000 0.219 113 A C 2.000 179.732 177.584 0.246 0.000 1.158 113 A CA 0.811 52.937 52.037 0.148 0.000 0.661 113 A CB -0.257 18.826 19.000 0.138 0.000 0.801 113 A HN 0.149 nan 8.150 nan 0.000 0.452 114 L N -0.773 120.563 121.223 0.189 0.000 2.529 114 L HA -0.008 4.332 4.340 0.000 0.000 0.223 114 L C 2.074 179.108 176.870 0.274 0.000 1.113 114 L CA 0.030 55.022 54.840 0.255 0.000 0.861 114 L CB -0.092 42.014 42.059 0.078 0.000 1.012 114 L HN 0.189 nan 8.230 nan 0.000 0.461 115 V N 0.865 120.874 119.914 0.158 0.000 2.332 115 V HA -0.190 3.930 4.120 0.000 0.000 0.248 115 V C 0.023 176.156 176.094 0.065 0.000 1.055 115 V CA 1.941 64.296 62.300 0.093 0.000 1.038 115 V CB -1.550 30.303 31.823 0.050 0.000 0.651 115 V HN 0.379 nan 8.190 nan 0.000 0.450 116 P HA -0.114 nan 4.420 nan 0.000 0.218 116 P C 1.385 178.539 177.300 -0.243 0.000 1.148 116 P CA 1.419 64.410 63.100 -0.182 0.000 0.822 116 P CB -0.135 31.346 31.700 -0.365 0.000 0.784 117 F N -1.363 118.587 119.950 0.000 0.000 2.748 117 F HA 0.185 4.712 4.527 0.000 0.000 0.299 117 F C 2.076 177.878 175.800 0.004 0.000 1.154 117 F CA 0.798 58.800 58.000 0.003 0.000 1.446 117 F CB -1.236 37.768 39.000 0.006 0.000 1.112 117 F HN -0.029 nan 8.300 nan 0.000 0.584 118 G N 0.914 109.803 108.800 0.149 0.000 2.665 118 G HA2 -0.526 3.434 3.960 0.000 0.000 0.326 118 G HA3 -0.526 3.434 3.960 0.000 0.000 0.326 118 G C 1.271 176.225 174.900 0.090 0.000 1.231 118 G CA 1.153 46.307 45.100 0.089 0.000 0.992 118 G HN 0.280 nan 8.290 nan 0.000 0.549 119 K N 0.766 121.208 120.400 0.071 0.000 2.103 119 K HA 0.058 4.378 4.320 0.000 0.000 0.204 119 K C 2.021 178.662 176.600 0.069 0.000 1.052 119 K CA 1.803 58.125 56.287 0.059 0.000 0.945 119 K CB -0.224 32.305 32.500 0.048 0.000 0.722 119 K HN 0.477 nan 8.250 nan 0.000 0.443 120 D N 0.737 121.196 120.400 0.098 0.000 2.378 120 D HA -0.040 4.600 4.640 0.000 0.000 0.227 120 D C -0.014 176.332 176.300 0.077 0.000 1.012 120 D CA 0.403 54.464 54.000 0.101 0.000 0.905 120 D CB -0.155 40.729 40.800 0.141 0.000 0.895 120 D HN 0.210 nan 8.370 nan 0.000 0.532 121 A N 2.740 125.607 122.820 0.079 0.000 2.488 121 A HA 0.290 4.610 4.320 0.000 0.000 0.249 121 A C -1.826 175.715 177.584 -0.072 0.000 1.083 121 A CA -0.935 51.100 52.037 -0.003 0.000 0.768 121 A CB 0.160 19.190 19.000 0.051 0.000 1.017 121 A HN -0.030 nan 8.150 nan 0.000 0.496 122 P HA 0.225 nan 4.420 nan 0.000 0.273 122 P C -0.484 176.680 177.300 -0.227 0.000 1.250 122 P CA -0.320 62.674 63.100 -0.177 0.000 0.793 122 P CB 0.544 32.145 31.700 -0.165 0.000 1.011 123 L N 0.740 121.740 121.223 -0.372 0.000 2.416 123 L HA 0.148 4.488 4.340 0.000 0.000 0.272 123 L C 0.684 177.352 176.870 -0.337 0.000 1.161 123 L CA -0.525 54.080 54.840 -0.392 0.000 0.845 123 L CB 0.099 41.784 42.059 -0.623 0.000 1.119 123 L HN 0.259 nan 8.230 nan 0.000 0.464 124 L N 5.071 126.145 121.223 -0.248 0.000 2.277 124 L HA 0.514 4.854 4.340 0.000 0.000 0.284 124 L C -0.659 176.075 176.870 -0.226 0.000 1.028 124 L CA 0.091 54.816 54.840 -0.192 0.000 0.835 124 L CB 0.882 42.877 42.059 -0.107 0.000 1.215 124 L HN 0.321 nan 8.230 nan 0.000 0.425 125 I N 4.177 124.592 120.570 -0.259 0.000 2.530 125 I HA 0.752 4.922 4.170 0.000 0.000 0.297 125 I C -0.013 175.991 176.117 -0.189 0.000 1.011 125 I CA -0.249 60.882 61.300 -0.282 0.000 1.107 125 I CB 2.052 39.819 38.000 -0.389 0.000 1.285 125 I HN 0.677 nan 8.210 nan 0.000 0.436 126 A N 5.282 127.996 122.820 -0.176 0.000 2.337 126 A HA 0.793 5.113 4.320 0.000 0.000 0.329 126 A C -0.748 176.757 177.584 -0.132 0.000 1.146 126 A CA -0.631 51.327 52.037 -0.131 0.000 0.800 126 A CB 1.011 19.954 19.000 -0.094 0.000 1.220 126 A HN 0.424 nan 8.150 nan 0.000 0.472 127 V N 2.548 122.368 119.914 -0.157 0.000 2.583 127 V HA 0.307 4.427 4.120 0.000 0.000 0.287 127 V C 1.407 177.469 176.094 -0.055 0.000 1.051 127 V CA 0.528 62.747 62.300 -0.136 0.000 1.010 127 V CB 0.845 32.478 31.823 -0.317 0.000 0.988 127 V HN 1.200 nan 8.190 nan 0.000 0.478 128 T N 2.716 117.263 114.554 -0.013 0.000 3.397 128 T HA 0.233 4.583 4.350 0.000 0.000 0.197 128 T C 0.360 175.043 174.700 -0.027 0.000 0.837 128 T CA 0.050 62.130 62.100 -0.033 0.000 2.001 128 T CB 0.089 68.991 68.868 0.057 0.000 1.845 128 T HN 0.296 nan 8.240 nan 0.000 0.444 129 V N 2.936 122.861 119.914 0.019 0.000 2.398 129 V HA 0.413 4.533 4.120 0.000 0.000 0.286 129 V C 0.048 176.195 176.094 0.088 0.000 1.026 129 V CA -1.015 61.324 62.300 0.066 0.000 0.868 129 V CB 1.089 32.976 31.823 0.106 0.000 0.982 129 V HN 0.496 nan 8.190 nan 0.000 0.443 130 L N 4.290 125.579 121.223 0.111 0.000 2.601 130 L HA 0.013 4.353 4.340 0.000 0.000 0.277 130 L C 2.030 178.942 176.870 0.071 0.000 1.219 130 L CA 0.390 55.286 54.840 0.093 0.000 0.915 130 L CB 0.642 42.767 42.059 0.109 0.000 1.160 130 L HN 0.964 nan 8.230 nan 0.000 0.494 131 T N -2.698 111.888 114.554 0.053 0.000 2.996 131 T HA -0.153 4.198 4.350 0.000 0.000 0.271 131 T C 1.485 176.208 174.700 0.037 0.000 1.126 131 T CA 1.038 63.161 62.100 0.040 0.000 1.103 131 T CB -0.257 68.629 68.868 0.030 0.000 0.870 131 T HN 0.739 nan 8.240 nan 0.000 0.528 132 S N -0.106 115.619 115.700 0.043 0.000 2.593 132 S HA 0.364 4.834 4.470 0.000 0.000 0.217 132 S C 0.517 175.143 174.600 0.042 0.000 0.966 132 S CA -0.667 57.555 58.200 0.036 0.000 0.914 132 S CB -0.514 62.707 63.200 0.034 0.000 0.776 132 S HN 0.517 nan 8.310 nan 0.000 0.523 133 M N 1.658 121.291 119.600 0.054 0.000 2.364 133 M HA 0.515 4.995 4.480 0.000 0.000 0.334 133 M C -0.258 176.076 176.300 0.058 0.000 1.107 133 M CA -0.212 55.124 55.300 0.060 0.000 0.988 133 M CB 2.101 34.752 32.600 0.084 0.000 1.673 133 M HN 0.202 nan 8.290 nan 0.000 0.441 134 E N 0.480 120.709 120.200 0.049 0.000 2.412 134 E HA 0.556 4.906 4.350 0.000 0.000 0.255 134 E C 0.503 177.130 176.600 0.045 0.000 0.933 134 E CA -0.607 55.819 56.400 0.043 0.000 0.823 134 E CB 1.397 31.115 29.700 0.030 0.000 1.352 134 E HN 0.772 nan 8.360 nan 0.000 0.406 135 A N 0.638 123.480 122.820 0.038 0.000 1.948 135 A HA -0.235 4.085 4.320 0.000 0.000 0.220 135 A C 2.133 179.729 177.584 0.019 0.000 1.177 135 A CA 2.505 54.560 52.037 0.030 0.000 0.636 135 A CB -0.984 18.031 19.000 0.024 0.000 0.815 135 A HN 0.549 nan 8.150 nan 0.000 0.449 136 S N 0.101 115.812 115.700 0.018 0.000 2.399 136 S HA -0.186 4.284 4.470 0.000 0.000 0.231 136 S C 1.381 175.990 174.600 0.014 0.000 1.022 136 S CA 1.410 59.617 58.200 0.013 0.000 0.983 136 S CB -0.535 62.672 63.200 0.012 0.000 0.803 136 S HN 0.615 nan 8.310 nan 0.000 0.480 137 D N 1.522 121.936 120.400 0.023 0.000 2.224 137 D HA 0.065 4.705 4.640 0.000 0.000 0.205 137 D C 1.949 178.263 176.300 0.024 0.000 0.965 137 D CA 0.909 54.925 54.000 0.026 0.000 0.852 137 D CB -0.099 40.724 40.800 0.039 0.000 0.947 137 D HN 0.433 nan 8.370 nan 0.000 0.494 138 L N 0.532 121.768 121.223 0.022 0.000 2.209 138 L HA -0.039 4.301 4.340 0.000 0.000 0.207 138 L C 2.570 179.422 176.870 -0.031 0.000 1.094 138 L CA 0.175 55.013 54.840 -0.003 0.000 0.790 138 L CB -0.273 41.780 42.059 -0.009 0.000 0.932 138 L HN -0.114 nan 8.230 nan 0.000 0.447 139 V N 0.566 120.468 119.914 -0.019 0.000 2.392 139 V HA -0.318 3.802 4.120 0.000 0.000 0.249 139 V C 2.011 178.093 176.094 -0.021 0.000 1.059 139 V CA 2.215 64.501 62.300 -0.023 0.000 1.051 139 V CB -0.301 31.515 31.823 -0.012 0.000 0.658 139 V HN 0.467 nan 8.190 nan 0.000 0.455 140 D N 0.023 120.417 120.400 -0.011 0.000 2.149 140 D HA -0.147 4.493 4.640 0.000 0.000 0.198 140 D C 1.896 178.189 176.300 -0.013 0.000 0.990 140 D CA 1.581 55.576 54.000 -0.008 0.000 0.839 140 D CB -0.249 40.550 40.800 -0.000 0.000 0.948 140 D HN 0.475 nan 8.370 nan 0.000 0.460 141 L N -1.057 120.154 121.223 -0.019 0.000 2.492 141 L HA 0.195 4.535 4.340 0.000 0.000 0.223 141 L C 1.437 178.282 176.870 -0.040 0.000 1.132 141 L CA 0.512 55.338 54.840 -0.024 0.000 0.850 141 L CB -0.101 41.945 42.059 -0.022 0.000 0.966 141 L HN 0.120 nan 8.230 nan 0.000 0.454 142 G N -0.191 108.580 108.800 -0.049 0.000 2.131 142 G HA2 -0.203 3.758 3.960 0.000 0.000 0.201 142 G HA3 -0.203 3.758 3.960 0.000 0.000 0.201 142 G C 0.059 174.907 174.900 -0.088 0.000 1.000 142 G CA -0.445 44.623 45.100 -0.053 0.000 0.680 142 G HN 0.061 nan 8.290 nan 0.000 0.514 143 M N 1.684 121.209 119.600 -0.125 0.000 2.180 143 M HA 0.420 4.900 4.480 0.000 0.000 0.350 143 M C 1.592 177.813 176.300 -0.132 0.000 1.125 143 M CA 0.477 55.654 55.300 -0.205 0.000 1.031 143 M CB 1.067 33.443 32.600 -0.374 0.000 1.623 143 M HN 0.382 nan 8.290 nan 0.000 0.451 144 T N 0.614 115.105 114.554 -0.105 0.000 3.001 144 T HA 0.338 4.688 4.350 0.000 0.000 0.251 144 T C 0.786 175.465 174.700 -0.035 0.000 1.040 144 T CA -0.103 61.965 62.100 -0.054 0.000 0.985 144 T CB 0.118 68.965 68.868 -0.034 0.000 1.011 144 T HN 0.510 nan 8.240 nan 0.000 0.509 145 L N 3.730 124.922 121.223 -0.051 0.000 2.416 145 L HA 0.322 4.662 4.340 0.000 0.000 0.272 145 L C 0.993 177.891 176.870 0.046 0.000 1.161 145 L CA -0.711 54.137 54.840 0.013 0.000 0.845 145 L CB 0.569 42.658 42.059 0.050 0.000 1.119 145 L HN 0.346 nan 8.230 nan 0.000 0.464 146 S N 2.468 118.212 115.700 0.074 0.000 2.576 146 S HA 0.110 4.580 4.470 0.000 0.000 0.272 146 S C -1.802 172.884 174.600 0.143 0.000 1.352 146 S CA -1.030 57.220 58.200 0.085 0.000 1.021 146 S CB 0.629 63.873 63.200 0.072 0.000 0.887 146 S HN 0.438 nan 8.310 nan 0.000 0.542 147 P HA -0.156 nan 4.420 nan 0.000 0.216 147 P C 1.671 179.082 177.300 0.185 0.000 1.154 147 P CA 2.166 65.371 63.100 0.176 0.000 0.865 147 P CB -0.271 31.498 31.700 0.115 0.000 0.789 148 A N -0.177 122.724 122.820 0.135 0.000 1.865 148 A HA -0.243 4.077 4.320 0.000 0.000 0.217 148 A C 2.079 179.792 177.584 0.215 0.000 1.191 148 A CA 2.205 54.324 52.037 0.137 0.000 0.623 148 A CB -1.443 17.605 19.000 0.081 0.000 0.826 148 A HN 0.123 nan 8.150 nan 0.000 0.444 149 D N -1.837 118.677 120.400 0.190 0.000 2.144 149 D HA -0.129 4.511 4.640 0.000 0.000 0.200 149 D C 1.743 178.199 176.300 0.260 0.000 0.978 149 D CA 1.421 55.540 54.000 0.198 0.000 0.833 149 D CB -0.386 40.501 40.800 0.144 0.000 0.961 149 D HN 0.535 nan 8.370 nan 0.000 0.470 150 Y N 2.034 122.401 120.300 0.112 0.000 2.181 150 Y HA -0.120 4.430 4.550 0.000 0.000 0.288 150 Y C 2.262 178.244 175.900 0.136 0.000 1.146 150 Y CA 1.142 59.302 58.100 0.101 0.000 1.164 150 Y CB -0.654 37.855 38.460 0.081 0.000 0.982 150 Y HN -0.075 nan 8.280 nan 0.000 0.515 151 A N 0.058 122.954 122.820 0.126 0.000 1.933 151 A HA -0.231 4.089 4.320 0.000 0.000 0.218 151 A C 2.285 179.997 177.584 0.214 0.000 1.175 151 A CA 1.818 53.932 52.037 0.128 0.000 0.628 151 A CB -0.891 18.301 19.000 0.319 0.000 0.814 151 A HN 0.631 nan 8.150 nan 0.000 0.444 152 E N -0.406 119.991 120.200 0.328 0.000 2.106 152 E HA -0.216 4.134 4.350 0.000 0.000 0.192 152 E C 2.239 178.886 176.600 0.077 0.000 0.984 152 E CA 1.092 57.593 56.400 0.170 0.000 0.806 152 E CB -0.138 29.751 29.700 0.316 0.000 0.750 152 E HN 0.602 nan 8.360 nan 0.000 0.458 153 R N -0.134 120.419 120.500 0.087 0.000 2.075 153 R HA -0.132 4.208 4.340 0.000 0.000 0.232 153 R C 2.242 178.529 176.300 -0.022 0.000 1.126 153 R CA 1.039 57.177 56.100 0.064 0.000 0.963 153 R CB -0.133 30.246 30.300 0.132 0.000 0.858 153 R HN 0.198 nan 8.270 nan 0.000 0.435 154 L N 0.624 121.784 121.223 -0.105 0.000 2.083 154 L HA -0.055 4.285 4.340 0.000 0.000 0.209 154 L C 2.400 179.161 176.870 -0.181 0.000 1.083 154 L CA 1.981 56.720 54.840 -0.168 0.000 0.752 154 L CB -0.937 40.945 42.059 -0.295 0.000 0.899 154 L HN 0.281 nan 8.230 nan 0.000 0.433 155 A N -0.941 121.727 122.820 -0.254 0.000 1.898 155 A HA -0.114 4.206 4.320 0.000 0.000 0.216 155 A C 2.485 179.659 177.584 -0.683 0.000 1.181 155 A CA 1.669 53.403 52.037 -0.506 0.000 0.620 155 A CB -0.857 17.584 19.000 -0.931 0.000 0.819 155 A HN 0.395 nan 8.150 nan 0.000 0.442 156 A N -0.484 122.122 122.820 -0.356 0.000 1.877 156 A HA -0.072 4.248 4.320 0.000 0.000 0.216 156 A C 2.127 179.600 177.584 -0.184 0.000 1.186 156 A CA 1.772 53.719 52.037 -0.150 0.000 0.620 156 A CB -0.672 18.390 19.000 0.103 0.000 0.822 156 A HN 0.633 nan 8.150 nan 0.000 0.443 157 L N -0.089 121.058 121.223 -0.126 0.000 2.042 157 L HA -0.136 4.204 4.340 0.000 0.000 0.210 157 L C 2.502 179.310 176.870 -0.102 0.000 1.076 157 L CA 2.738 57.526 54.840 -0.086 0.000 0.749 157 L CB -0.999 41.028 42.059 -0.055 0.000 0.893 157 L HN 0.402 nan 8.230 nan 0.000 0.432 158 T N -1.134 113.341 114.554 -0.132 0.000 2.720 158 T HA -0.271 4.079 4.350 0.000 0.000 0.268 158 T C 1.783 176.456 174.700 -0.044 0.000 1.037 158 T CA 1.807 63.870 62.100 -0.062 0.000 1.144 158 T CB -0.170 68.694 68.868 -0.006 0.000 0.864 158 T HN 0.483 nan 8.240 nan 0.000 0.444 159 Q N 0.595 120.248 119.800 -0.245 0.000 2.083 159 Q HA -0.051 4.289 4.340 0.000 0.000 0.198 159 Q C 2.161 178.068 176.000 -0.155 0.000 0.969 159 Q CA 1.109 56.719 55.803 -0.321 0.000 0.838 159 Q CB 0.014 28.251 28.738 -0.835 0.000 0.900 159 Q HN 0.442 nan 8.270 nan 0.000 0.436 160 K N -0.498 119.821 120.400 -0.136 0.000 2.103 160 K HA -0.138 4.182 4.320 0.000 0.000 0.207 160 K C 1.879 178.454 176.600 -0.042 0.000 1.048 160 K CA 1.360 57.604 56.287 -0.072 0.000 0.930 160 K CB -0.071 32.396 32.500 -0.056 0.000 0.716 160 K HN 0.265 nan 8.250 nan 0.000 0.444 161 C N 0.358 119.636 119.300 -0.036 0.000 2.576 161 C HA 0.157 4.617 4.460 0.000 0.000 0.267 161 C C 1.424 176.413 174.990 -0.001 0.000 1.364 161 C CA 0.342 59.352 59.018 -0.013 0.000 1.723 161 C CB -1.224 26.510 27.740 -0.010 0.000 1.778 161 C HN 0.785 nan 8.230 nan 0.000 0.572 162 G N 0.618 109.418 108.800 0.000 0.000 2.147 162 G HA2 -0.203 3.757 3.960 0.000 0.000 0.244 162 G HA3 -0.203 3.757 3.960 0.000 0.000 0.244 162 G C 0.082 175.006 174.900 0.039 0.000 1.005 162 G CA -0.192 44.920 45.100 0.020 0.000 0.713 162 G HN 0.494 nan 8.290 nan 0.000 0.515 163 L N -0.219 121.038 121.223 0.057 0.000 2.476 163 L HA 0.258 4.598 4.340 0.000 0.000 0.255 163 L C 1.265 178.164 176.870 0.048 0.000 1.218 163 L CA -0.033 54.824 54.840 0.029 0.000 0.819 163 L CB 0.218 42.276 42.059 -0.003 0.000 1.119 163 L HN 0.007 nan 8.230 nan 0.000 0.485 164 D N 0.031 120.376 120.400 -0.091 0.000 2.323 164 D HA 0.155 4.795 4.640 0.000 0.000 0.209 164 D C 0.746 176.800 176.300 -0.410 0.000 0.973 164 D CA 0.628 54.535 54.000 -0.155 0.000 0.874 164 D CB 0.901 41.587 40.800 -0.190 0.000 0.930 164 D HN 0.707 nan 8.370 nan 0.000 0.521 165 G N -0.838 107.547 108.800 -0.692 0.000 2.341 165 G HA2 0.386 4.346 3.960 0.000 0.000 0.299 165 G HA3 0.386 4.346 3.960 0.000 0.000 0.299 165 G C -2.015 172.339 174.900 -0.909 0.000 1.274 165 G CA -0.321 44.021 45.100 -1.263 0.000 0.853 165 G HN 0.038 nan 8.290 nan 0.000 0.493 166 V N -1.023 118.491 119.914 -0.667 0.000 3.049 166 V HA 0.719 4.839 4.120 0.000 0.000 0.309 166 V C -0.893 175.124 176.094 -0.130 0.000 1.148 166 V CA -0.677 61.447 62.300 -0.295 0.000 0.990 166 V CB 2.204 33.943 31.823 -0.139 0.000 1.039 166 V HN 0.887 nan 8.190 nan 0.000 0.430 167 V N 4.698 124.571 119.914 -0.067 0.000 2.394 167 V HA 0.696 4.817 4.120 0.000 0.000 0.282 167 V C 0.154 176.281 176.094 0.055 0.000 1.031 167 V CA 0.009 62.304 62.300 -0.007 0.000 0.881 167 V CB 0.783 32.603 31.823 -0.005 0.000 0.982 167 V HN 1.215 nan 8.190 nan 0.000 0.451 168 C N 2.006 121.351 119.300 0.075 0.000 3.293 168 C HA 0.816 5.276 4.460 0.000 0.000 0.362 168 C C 0.049 175.049 174.990 0.017 0.000 1.539 168 C CA -0.852 58.214 59.018 0.080 0.000 1.201 168 C CB 1.312 29.149 27.740 0.162 0.000 1.770 168 C HN 0.737 nan 8.230 nan 0.000 0.440 169 S N 0.011 115.695 115.700 -0.027 0.000 2.601 169 S HA 0.538 5.008 4.470 0.000 0.000 0.271 169 S C 1.184 175.738 174.600 -0.077 0.000 1.305 169 S CA 0.288 58.467 58.200 -0.036 0.000 1.022 169 S CB 1.136 64.316 63.200 -0.034 0.000 0.940 169 S HN 2.012 nan 8.310 nan 0.000 0.525 170 A N 3.166 125.959 122.820 -0.045 0.000 2.172 170 A HA -0.015 4.305 4.320 0.000 0.000 0.216 170 A C 1.980 179.517 177.584 -0.078 0.000 1.154 170 A CA 0.781 52.788 52.037 -0.050 0.000 0.701 170 A CB -0.427 18.562 19.000 -0.019 0.000 0.789 170 A HN 0.847 nan 8.150 nan 0.000 0.465 171 Q N -0.430 119.319 119.800 -0.085 0.000 2.436 171 Q HA -0.114 4.226 4.340 0.000 0.000 0.209 171 Q C 0.748 176.655 176.000 -0.155 0.000 0.965 171 Q CA 1.215 56.965 55.803 -0.088 0.000 0.910 171 Q CB -0.008 28.694 28.738 -0.060 0.000 0.980 171 Q HN 0.803 nan 8.270 nan 0.000 0.491 172 E N -0.403 119.631 120.200 -0.277 0.000 2.490 172 E HA 0.178 4.528 4.350 0.000 0.000 0.209 172 E C 1.589 177.891 176.600 -0.497 0.000 0.971 172 E CA 0.475 56.551 56.400 -0.540 0.000 0.988 172 E CB 0.181 29.212 29.700 -1.115 0.000 1.029 172 E HN 0.246 nan 8.360 nan 0.000 0.496 173 A N 0.786 123.457 122.820 -0.248 0.000 1.881 173 A HA -0.267 4.053 4.320 0.000 0.000 0.219 173 A C 2.305 179.892 177.584 0.006 0.000 1.215 173 A CA 2.089 54.081 52.037 -0.075 0.000 0.648 173 A CB -1.046 17.935 19.000 -0.032 0.000 0.832 173 A HN 0.155 nan 8.150 nan 0.000 0.455 174 V N 0.023 119.928 119.914 -0.016 0.000 2.343 174 V HA -0.242 3.878 4.120 0.000 0.000 0.247 174 V C 2.761 178.878 176.094 0.039 0.000 1.051 174 V CA 2.197 64.505 62.300 0.014 0.000 1.036 174 V CB -0.908 30.913 31.823 -0.003 0.000 0.654 174 V HN 0.551 nan 8.190 nan 0.000 0.451 175 R N -0.029 120.484 120.500 0.021 0.000 2.070 175 R HA -0.109 4.231 4.340 0.000 0.000 0.233 175 R C 2.289 178.722 176.300 0.222 0.000 1.137 175 R CA 1.950 58.097 56.100 0.079 0.000 0.945 175 R CB -0.877 29.457 30.300 0.056 0.000 0.845 175 R HN 0.561 nan 8.270 nan 0.000 0.430 176 F N 0.778 120.768 119.950 0.066 0.000 2.102 176 F HA -0.229 4.298 4.527 0.000 0.000 0.298 176 F C 2.447 178.334 175.800 0.146 0.000 1.105 176 F CA 0.621 58.726 58.000 0.175 0.000 1.239 176 F CB -0.174 39.081 39.000 0.424 0.000 0.991 176 F HN 0.049 nan 8.300 nan 0.000 0.474 177 K N 1.048 121.649 120.400 0.336 0.000 2.089 177 K HA -0.245 4.075 4.320 0.000 0.000 0.210 177 K C 1.949 178.618 176.600 0.116 0.000 1.048 177 K CA 1.903 58.320 56.287 0.217 0.000 0.926 177 K CB -0.489 32.094 32.500 0.137 0.000 0.714 177 K HN 0.490 nan 8.250 nan 0.000 0.448 178 Q N -1.066 118.764 119.800 0.051 0.000 2.269 178 Q HA 0.013 4.353 4.340 0.000 0.000 0.201 178 Q C 1.759 177.698 176.000 -0.102 0.000 0.946 178 Q CA 0.982 56.777 55.803 -0.013 0.000 0.877 178 Q CB 0.025 28.753 28.738 -0.016 0.000 0.963 178 Q HN 0.036 nan 8.270 nan 0.000 0.472 179 V N 0.089 119.864 119.914 -0.232 0.000 2.488 179 V HA -0.089 4.031 4.120 0.000 0.000 0.246 179 V C 1.015 176.710 176.094 -0.665 0.000 1.046 179 V CA 1.285 63.256 62.300 -0.547 0.000 1.053 179 V CB -0.285 30.979 31.823 -0.931 0.000 0.679 179 V HN 0.293 nan 8.190 nan 0.000 0.458 180 F N -0.007 119.908 119.950 -0.058 0.000 2.682 180 F HA 0.625 5.153 4.527 0.000 0.000 0.308 180 F C 1.250 177.024 175.800 -0.042 0.000 1.093 180 F CA 0.047 57.949 58.000 -0.163 0.000 1.244 180 F CB -0.181 38.622 39.000 -0.328 0.000 1.052 180 F HN 0.202 nan 8.300 nan 0.000 0.573 181 G N 0.570 109.449 108.800 0.132 0.000 2.746 181 G HA2 -0.189 3.771 3.960 0.000 0.000 0.685 181 G HA3 -0.189 3.771 3.960 0.000 0.000 0.685 181 G C 0.333 175.333 174.900 0.166 0.000 1.350 181 G CA -0.523 44.648 45.100 0.118 0.000 0.837 181 G HN -0.011 nan 8.290 nan 0.000 0.564 182 Q N -0.215 119.654 119.800 0.115 0.000 2.167 182 Q HA -0.044 4.297 4.340 0.000 0.000 0.202 182 Q C 2.475 178.543 176.000 0.114 0.000 0.970 182 Q CA 1.794 57.658 55.803 0.102 0.000 0.855 182 Q CB -0.110 28.665 28.738 0.062 0.000 0.911 182 Q HN 0.722 nan 8.270 nan 0.000 0.438 183 E N 0.023 120.298 120.200 0.126 0.000 2.106 183 E HA -0.072 4.278 4.350 0.000 0.000 0.192 183 E C 0.208 176.914 176.600 0.175 0.000 0.984 183 E CA 0.054 56.528 56.400 0.124 0.000 0.806 183 E CB -0.216 29.551 29.700 0.112 0.000 0.750 183 E HN 0.250 nan 8.360 nan 0.000 0.458 184 F N 2.668 122.645 119.950 0.046 0.000 2.519 184 F HA -0.033 4.494 4.527 0.000 0.000 0.375 184 F C 0.619 176.443 175.800 0.041 0.000 1.084 184 F CA -0.084 57.932 58.000 0.028 0.000 1.147 184 F CB 0.278 39.311 39.000 0.055 0.000 1.088 184 F HN -0.332 nan 8.300 nan 0.000 0.555 185 K N 7.338 127.576 120.400 -0.269 0.000 2.350 185 K HA 0.312 4.633 4.320 0.000 0.000 0.279 185 K C -0.808 175.660 176.600 -0.219 0.000 1.027 185 K CA -0.212 55.967 56.287 -0.181 0.000 0.969 185 K CB 0.932 33.357 32.500 -0.126 0.000 0.954 185 K HN 0.596 nan 8.250 nan 0.000 0.474 186 L N 3.358 124.558 121.223 -0.038 0.000 2.319 186 L HA 0.370 4.711 4.340 0.000 0.000 0.281 186 L C -0.662 176.241 176.870 0.055 0.000 1.005 186 L CA -1.153 53.698 54.840 0.017 0.000 0.828 186 L CB 1.623 43.741 42.059 0.098 0.000 1.227 186 L HN 0.276 nan 8.230 nan 0.000 0.415 187 V N 1.860 121.792 119.914 0.029 0.000 2.347 187 V HA 0.424 4.544 4.120 0.000 0.000 0.280 187 V C 0.248 176.384 176.094 0.070 0.000 1.021 187 V CA -0.421 61.921 62.300 0.069 0.000 0.847 187 V CB 1.663 33.455 31.823 -0.052 0.000 0.990 187 V HN 0.848 nan 8.190 nan 0.000 0.444 188 T N 4.149 118.756 114.554 0.088 0.000 2.833 188 T HA 0.638 4.988 4.350 0.000 0.000 0.297 188 T C -2.804 171.939 174.700 0.071 0.000 1.015 188 T CA -1.986 60.152 62.100 0.063 0.000 0.963 188 T CB 2.305 71.195 68.868 0.035 0.000 0.955 188 T HN 0.355 nan 8.240 nan 0.000 0.449 189 P HA 0.602 nan 4.420 nan 0.000 0.328 189 P C 0.810 178.133 177.300 0.038 0.000 1.305 189 P CA 0.012 63.149 63.100 0.061 0.000 0.745 189 P CB 0.180 31.916 31.700 0.061 0.000 1.462 190 G N -0.874 107.943 108.800 0.029 0.000 2.272 190 G HA2 -0.167 3.793 3.960 0.000 0.000 0.280 190 G HA3 -0.167 3.793 3.960 0.000 0.000 0.280 190 G C -0.356 174.553 174.900 0.015 0.000 1.067 190 G CA -0.422 44.689 45.100 0.018 0.000 0.902 190 G HN 0.291 nan 8.290 nan 0.000 0.500 191 I N 0.706 121.287 120.570 0.019 0.000 2.321 191 I HA 0.502 4.672 4.170 0.000 0.000 0.291 191 I C 0.313 176.435 176.117 0.009 0.000 0.998 191 I CA -0.610 60.701 61.300 0.017 0.000 1.227 191 I CB 1.300 39.317 38.000 0.028 0.000 1.368 191 I HN 0.058 nan 8.210 nan 0.000 0.466 192 R N 7.690 128.194 120.500 0.006 0.000 2.483 192 R HA 0.486 4.827 4.340 0.000 0.000 0.303 192 R C -2.613 173.688 176.300 0.002 0.000 0.987 192 R CA -1.598 54.503 56.100 0.001 0.000 0.881 192 R CB 2.650 32.949 30.300 -0.001 0.000 1.177 192 R HN 0.325 nan 8.270 nan 0.000 0.451 193 P HA 0.090 nan 4.420 nan 0.000 0.293 193 P C -0.542 176.759 177.300 0.001 0.000 1.304 193 P CA -0.608 62.495 63.100 0.004 0.000 0.767 193 P CB 0.582 32.285 31.700 0.005 0.000 1.247 194 Q N -0.232 119.570 119.800 0.002 0.000 3.002 194 Q HA -0.088 4.252 4.340 0.000 0.000 0.384 194 Q C 1.312 177.311 176.000 -0.001 0.000 1.084 194 Q CA 1.738 57.542 55.803 0.001 0.000 1.189 194 Q CB -1.126 27.613 28.738 0.002 0.000 1.072 194 Q HN 0.887 nan 8.270 nan 0.000 0.443 195 G N 2.977 111.777 108.800 -0.001 0.000 2.467 195 G HA2 -0.313 3.647 3.960 0.000 0.000 0.302 195 G HA3 -0.313 3.647 3.960 0.000 0.000 0.302 195 G C 0.308 175.205 174.900 -0.004 0.000 0.930 195 G CA 0.892 45.990 45.100 -0.002 0.000 1.008 195 G HN 0.536 nan 8.290 nan 0.000 0.512 196 S N -1.195 114.501 115.700 -0.005 0.000 2.616 196 S HA 0.475 4.945 4.470 0.000 0.000 0.277 196 S C 0.422 175.017 174.600 -0.010 0.000 1.234 196 S CA -0.544 57.651 58.200 -0.009 0.000 1.028 196 S CB 1.093 64.287 63.200 -0.009 0.000 0.988 196 S HN 0.472 nan 8.310 nan 0.000 0.522 197 E N 1.747 121.940 120.200 -0.013 0.000 2.344 197 E HA 0.399 4.749 4.350 0.000 0.000 0.270 197 E C 0.749 177.342 176.600 -0.012 0.000 1.021 197 E CA 0.129 56.521 56.400 -0.013 0.000 0.887 197 E CB 0.891 30.581 29.700 -0.016 0.000 0.997 197 E HN 0.679 nan 8.360 nan 0.000 0.429 198 A N 4.040 126.855 122.820 -0.009 0.000 1.898 198 A HA 0.139 4.459 4.320 0.000 0.000 0.216 198 A C 1.492 179.071 177.584 -0.008 0.000 1.181 198 A CA 1.429 53.463 52.037 -0.006 0.000 0.620 198 A CB -1.190 17.808 19.000 -0.003 0.000 0.819 198 A HN 0.998 nan 8.150 nan 0.000 0.442 199 G N 0.280 109.074 108.800 -0.009 0.000 2.527 199 G HA2 -0.369 3.591 3.960 0.000 0.000 0.268 199 G HA3 -0.369 3.591 3.960 0.000 0.000 0.268 199 G C 0.399 175.296 174.900 -0.005 0.000 1.175 199 G CA 0.728 45.821 45.100 -0.011 0.000 0.962 199 G HN 0.883 nan 8.290 nan 0.000 0.560 200 D N 0.906 121.303 120.400 -0.004 0.000 2.340 200 D HA 0.146 4.786 4.640 0.000 0.000 0.220 200 D C 1.099 177.403 176.300 0.007 0.000 1.039 200 D CA 0.612 54.614 54.000 0.003 0.000 0.866 200 D CB 0.046 40.848 40.800 0.004 0.000 0.913 200 D HN 0.422 nan 8.370 nan 0.000 0.523 201 Q N 0.482 120.285 119.800 0.005 0.000 2.352 201 Q HA 0.159 4.499 4.340 0.000 0.000 0.260 201 Q C 0.753 176.759 176.000 0.010 0.000 0.976 201 Q CA 0.158 55.966 55.803 0.009 0.000 0.881 201 Q CB 1.014 29.755 28.738 0.005 0.000 1.235 201 Q HN -0.064 nan 8.270 nan 0.000 0.419 202 R N 2.296 122.805 120.500 0.015 0.000 2.411 202 R HA 0.240 4.580 4.340 0.000 0.000 0.176 202 R C 0.036 176.344 176.300 0.013 0.000 1.072 202 R CA 0.381 56.490 56.100 0.015 0.000 1.132 202 R CB -0.052 30.260 30.300 0.021 0.000 1.203 202 R HN 0.454 nan 8.270 nan 0.000 0.537 203 R N 2.705 123.214 120.500 0.015 0.000 4.164 203 R HA 0.225 4.565 4.340 0.000 0.000 0.195 203 R C 0.445 176.747 176.300 0.003 0.000 1.712 203 R CA -0.075 56.030 56.100 0.008 0.000 1.457 203 R CB -0.608 29.697 30.300 0.008 0.000 1.387 203 R HN 0.288 nan 8.270 nan 0.000 0.785 204 I N -2.380 118.192 120.570 0.003 0.000 3.078 204 I HA 0.556 4.727 4.170 0.000 0.000 0.318 204 I C -0.023 176.093 176.117 -0.001 0.000 1.016 204 I CA -0.855 60.447 61.300 0.002 0.000 1.130 204 I CB 1.284 39.286 38.000 0.003 0.000 1.397 204 I HN 0.221 nan 8.210 nan 0.000 0.570 205 M N 1.681 121.281 119.600 0.000 0.000 2.732 205 M HA 0.302 4.782 4.480 0.000 0.000 0.272 205 M C -0.879 175.423 176.300 0.003 0.000 1.203 205 M CA -0.508 54.792 55.300 -0.001 0.000 0.841 205 M CB 2.572 35.169 32.600 -0.005 0.000 1.685 205 M HN 0.948 nan 8.290 nan 0.000 0.492 206 T N -1.261 113.295 114.554 0.003 0.000 2.899 206 T HA 0.492 4.842 4.350 0.000 0.000 0.284 206 T C -2.481 172.224 174.700 0.009 0.000 1.004 206 T CA -1.485 60.618 62.100 0.006 0.000 1.043 206 T CB 1.036 69.906 68.868 0.005 0.000 1.013 206 T HN 0.366 nan 8.240 nan 0.000 0.518 207 P HA -0.113 nan 4.420 nan 0.000 0.215 207 P C 1.245 178.553 177.300 0.013 0.000 1.157 207 P CA 1.188 64.298 63.100 0.018 0.000 0.874 207 P CB 0.034 31.747 31.700 0.021 0.000 0.790 208 E N -0.369 119.837 120.200 0.010 0.000 2.058 208 E HA -0.212 4.138 4.350 0.000 0.000 0.194 208 E C 2.178 178.780 176.600 0.004 0.000 0.997 208 E CA 1.288 57.692 56.400 0.007 0.000 0.801 208 E CB -1.012 28.692 29.700 0.006 0.000 0.746 208 E HN 0.383 nan 8.360 nan 0.000 0.450 209 Q N 0.038 119.840 119.800 0.003 0.000 2.030 209 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 209 Q C 2.288 178.287 176.000 -0.002 0.000 0.986 209 Q CA 1.559 57.362 55.803 -0.000 0.000 0.843 209 Q CB -0.309 28.428 28.738 -0.001 0.000 0.904 209 Q HN 0.349 nan 8.270 nan 0.000 0.420 210 A N 0.881 123.702 122.820 0.001 0.000 1.883 210 A HA -0.211 4.109 4.320 0.000 0.000 0.217 210 A C 2.065 179.649 177.584 -0.000 0.000 1.186 210 A CA 1.440 53.478 52.037 0.001 0.000 0.624 210 A CB -0.821 18.185 19.000 0.010 0.000 0.822 210 A HN 0.379 nan 8.150 nan 0.000 0.444 211 L N -0.121 121.103 121.223 0.001 0.000 2.043 211 L HA -0.148 4.192 4.340 0.000 0.000 0.212 211 L C 2.529 179.395 176.870 -0.006 0.000 1.075 211 L CA 2.682 57.520 54.840 -0.004 0.000 0.752 211 L CB -0.794 41.264 42.059 -0.001 0.000 0.891 211 L HN 0.323 nan 8.230 nan 0.000 0.432 212 S N -1.127 114.571 115.700 -0.003 0.000 2.423 212 S HA -0.065 4.405 4.470 0.000 0.000 0.231 212 S C 1.964 176.562 174.600 -0.003 0.000 1.014 212 S CA 0.881 59.079 58.200 -0.003 0.000 0.965 212 S CB -0.376 62.823 63.200 -0.002 0.000 0.785 212 S HN 0.653 nan 8.310 nan 0.000 0.495 213 A N -0.140 122.677 122.820 -0.005 0.000 2.167 213 A HA 0.438 4.758 4.320 0.000 0.000 0.214 213 A C 1.657 179.243 177.584 0.002 0.000 1.151 213 A CA 1.013 53.046 52.037 -0.006 0.000 0.735 213 A CB -0.890 18.102 19.000 -0.014 0.000 0.802 213 A HN 1.252 nan 8.150 nan 0.000 0.467 214 G N -0.993 107.807 108.800 -0.000 0.000 2.141 214 G HA2 -0.117 3.843 3.960 0.000 0.000 0.231 214 G HA3 -0.117 3.843 3.960 0.000 0.000 0.231 214 G C 0.407 175.306 174.900 -0.002 0.000 0.984 214 G CA 0.411 45.512 45.100 0.002 0.000 0.660 214 G HN 1.725 nan 8.290 nan 0.000 0.525 215 V N -2.129 117.781 119.914 -0.007 0.000 2.999 215 V HA 0.416 4.536 4.120 0.000 0.000 0.307 215 V C 1.137 177.190 176.094 -0.069 0.000 1.084 215 V CA 0.855 63.150 62.300 -0.009 0.000 1.155 215 V CB 1.085 32.912 31.823 0.007 0.000 0.975 215 V HN 0.171 nan 8.190 nan 0.000 0.490 216 D N 1.358 121.691 120.400 -0.112 0.000 2.216 216 D HA 0.117 4.757 4.640 0.000 0.000 0.208 216 D C -0.361 175.564 176.300 -0.626 0.000 0.960 216 D CA 1.644 55.422 54.000 -0.371 0.000 0.861 216 D CB 0.290 40.872 40.800 -0.364 0.000 0.985 216 D HN 0.730 nan 8.370 nan 0.000 0.493 217 Y N -0.152 120.172 120.300 0.041 0.000 2.513 217 Y HA 0.345 4.895 4.550 0.000 0.000 0.340 217 Y C -0.156 175.778 175.900 0.056 0.000 1.055 217 Y CA -1.186 56.956 58.100 0.070 0.000 1.020 217 Y CB 1.594 40.127 38.460 0.121 0.000 1.301 217 Y HN -0.262 nan 8.280 nan 0.000 0.453 218 M N 1.322 121.049 119.600 0.212 0.000 2.393 218 M HA 0.868 5.348 4.480 0.000 0.000 0.316 218 M C -1.888 174.505 176.300 0.156 0.000 1.087 218 M CA -1.063 54.322 55.300 0.143 0.000 0.937 218 M CB 2.015 34.668 32.600 0.088 0.000 1.668 218 M HN 0.301 nan 8.290 nan 0.000 0.438 219 V N 4.788 124.785 119.914 0.139 0.000 2.407 219 V HA 0.550 4.670 4.120 0.000 0.000 0.278 219 V C -0.221 175.925 176.094 0.087 0.000 1.037 219 V CA -0.361 62.020 62.300 0.136 0.000 0.900 219 V CB 1.262 33.175 31.823 0.150 0.000 0.983 219 V HN 0.796 nan 8.190 nan 0.000 0.459 220 I N 3.653 124.269 120.570 0.077 0.000 2.466 220 I HA 0.642 4.812 4.170 0.000 0.000 0.289 220 I C 0.802 176.928 176.117 0.014 0.000 1.026 220 I CA -0.221 61.103 61.300 0.040 0.000 1.078 220 I CB 2.020 40.044 38.000 0.039 0.000 1.249 220 I HN 0.704 nan 8.210 nan 0.000 0.429 221 G N 4.061 112.849 108.800 -0.019 0.000 2.727 221 G HA2 0.183 4.143 3.960 0.000 0.000 0.212 221 G HA3 0.183 4.143 3.960 0.000 0.000 0.212 221 G C 1.090 175.922 174.900 -0.113 0.000 2.076 221 G CA -0.179 44.883 45.100 -0.064 0.000 0.744 221 G HN 0.508 nan 8.290 nan 0.000 0.775 222 R N 1.027 121.460 120.500 -0.113 0.000 2.134 222 R HA -0.145 4.195 4.340 0.000 0.000 0.248 222 R C -0.143 176.095 176.300 -0.103 0.000 1.143 222 R CA 2.425 58.451 56.100 -0.123 0.000 0.957 222 R CB -1.158 29.088 30.300 -0.090 0.000 0.867 222 R HN 0.289 nan 8.270 nan 0.000 0.441 223 P HA -0.176 nan 4.420 nan 0.000 0.217 223 P C 1.140 178.400 177.300 -0.068 0.000 1.151 223 P CA 1.271 64.339 63.100 -0.053 0.000 0.849 223 P CB 0.119 31.801 31.700 -0.030 0.000 0.787 224 V N -0.855 119.001 119.914 -0.096 0.000 2.426 224 V HA -0.133 3.987 4.120 0.000 0.000 0.242 224 V C 2.513 178.470 176.094 -0.228 0.000 1.036 224 V CA 2.369 64.587 62.300 -0.137 0.000 1.044 224 V CB -1.789 29.949 31.823 -0.142 0.000 0.688 224 V HN 0.231 nan 8.190 nan 0.000 0.462 225 T N -1.905 112.482 114.554 -0.278 0.000 2.995 225 T HA -0.183 4.167 4.350 0.000 0.000 0.269 225 T C 1.581 176.156 174.700 -0.208 0.000 1.091 225 T CA 1.088 62.992 62.100 -0.326 0.000 1.128 225 T CB -0.277 68.277 68.868 -0.524 0.000 0.891 225 T HN 0.503 nan 8.240 nan 0.000 0.492 226 Q N 1.120 120.826 119.800 -0.157 0.000 2.482 226 Q HA 0.215 4.555 4.340 0.000 0.000 0.209 226 Q C 0.939 176.902 176.000 -0.062 0.000 0.961 226 Q CA -0.084 55.659 55.803 -0.100 0.000 0.945 226 Q CB 0.140 28.828 28.738 -0.084 0.000 1.012 226 Q HN 0.497 nan 8.270 nan 0.000 0.515 227 S N -0.047 115.614 115.700 -0.066 0.000 2.601 227 S HA 0.092 4.562 4.470 0.000 0.000 0.271 227 S C 0.911 175.506 174.600 -0.009 0.000 1.305 227 S CA -0.483 57.697 58.200 -0.033 0.000 1.022 227 S CB 1.683 64.864 63.200 -0.033 0.000 0.940 227 S HN 0.201 nan 8.310 nan 0.000 0.525 228 V N 1.950 121.868 119.914 0.008 0.000 3.217 228 V HA 0.214 4.334 4.120 0.000 0.000 0.264 228 V C 0.262 176.381 176.094 0.040 0.000 1.135 228 V CA 1.744 64.058 62.300 0.024 0.000 1.142 228 V CB -0.291 31.543 31.823 0.020 0.000 0.754 228 V HN 0.863 nan 8.190 nan 0.000 0.484 229 D N -0.256 120.169 120.400 0.041 0.000 2.846 229 D HA 0.292 4.932 4.640 0.000 0.000 0.279 229 D C -1.478 174.869 176.300 0.079 0.000 1.222 229 D CA -1.441 52.599 54.000 0.067 0.000 0.769 229 D CB 1.209 42.043 40.800 0.056 0.000 1.299 229 D HN 0.234 nan 8.370 nan 0.000 0.537 230 P HA -0.218 nan 4.420 nan 0.000 0.217 230 P C 1.318 178.754 177.300 0.226 0.000 1.151 230 P CA 1.212 64.323 63.100 0.019 0.000 0.849 230 P CB 0.326 31.860 31.700 -0.277 0.000 0.787 231 A N 0.053 123.100 122.820 0.377 0.000 1.908 231 A HA -0.253 4.067 4.320 0.000 0.000 0.218 231 A C 2.523 180.216 177.584 0.183 0.000 1.181 231 A CA 2.279 54.516 52.037 0.333 0.000 0.627 231 A CB -1.510 17.609 19.000 0.199 0.000 0.818 231 A HN 0.169 nan 8.150 nan 0.000 0.445 232 Q N -0.155 119.723 119.800 0.129 0.000 2.050 232 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 232 Q C 2.013 178.057 176.000 0.074 0.000 0.980 232 Q CA 2.690 58.543 55.803 0.083 0.000 0.840 232 Q CB -1.113 27.662 28.738 0.062 0.000 0.898 232 Q HN 0.574 nan 8.270 nan 0.000 0.424 233 T N 1.471 116.067 114.554 0.071 0.000 2.708 233 T HA -0.127 4.223 4.350 0.000 0.000 0.266 233 T C 1.685 176.425 174.700 0.067 0.000 1.037 233 T CA 1.196 63.326 62.100 0.049 0.000 1.146 233 T CB -0.438 68.442 68.868 0.021 0.000 0.865 233 T HN 0.293 nan 8.240 nan 0.000 0.435 234 L N 0.887 122.175 121.223 0.109 0.000 2.042 234 L HA -0.174 4.166 4.340 0.000 0.000 0.210 234 L C 2.635 179.564 176.870 0.098 0.000 1.076 234 L CA 1.791 56.709 54.840 0.131 0.000 0.749 234 L CB -0.400 41.799 42.059 0.233 0.000 0.893 234 L HN 0.277 nan 8.230 nan 0.000 0.432 235 K N -0.306 120.149 120.400 0.091 0.000 2.026 235 K HA -0.200 4.120 4.320 0.000 0.000 0.208 235 K C 2.015 178.644 176.600 0.048 0.000 1.048 235 K CA 1.430 57.756 56.287 0.064 0.000 0.929 235 K CB -0.117 32.418 32.500 0.058 0.000 0.713 235 K HN 0.396 nan 8.250 nan 0.000 0.439 236 A N 1.545 124.393 122.820 0.046 0.000 1.865 236 A HA -0.162 4.158 4.320 0.000 0.000 0.217 236 A C 2.132 179.735 177.584 0.032 0.000 1.191 236 A CA 1.713 53.770 52.037 0.034 0.000 0.623 236 A CB -0.703 18.315 19.000 0.030 0.000 0.826 236 A HN 0.372 nan 8.150 nan 0.000 0.444 237 I N 0.038 120.631 120.570 0.038 0.000 2.194 237 I HA -0.310 3.860 4.170 0.000 0.000 0.246 237 I C 2.228 178.367 176.117 0.036 0.000 1.093 237 I CA 1.387 62.708 61.300 0.035 0.000 1.355 237 I CB -0.518 37.508 38.000 0.042 0.000 1.046 237 I HN 0.344 nan 8.210 nan 0.000 0.413 238 N N 0.920 119.646 118.700 0.042 0.000 2.149 238 N HA -0.144 4.596 4.740 0.000 0.000 0.188 238 N C 1.856 177.381 175.510 0.026 0.000 1.019 238 N CA 1.600 54.672 53.050 0.037 0.000 0.857 238 N CB -0.192 38.320 38.487 0.041 0.000 0.997 238 N HN 0.391 nan 8.380 nan 0.000 0.426 239 A N 0.367 123.202 122.820 0.025 0.000 1.898 239 A HA -0.055 4.265 4.320 0.000 0.000 0.216 239 A C 2.473 180.066 177.584 0.016 0.000 1.181 239 A CA 1.554 53.602 52.037 0.019 0.000 0.620 239 A CB -0.623 18.388 19.000 0.019 0.000 0.819 239 A HN 0.258 nan 8.150 nan 0.000 0.442 240 S N 0.073 115.783 115.700 0.017 0.000 2.383 240 S HA -0.101 4.369 4.470 0.000 0.000 0.229 240 S C 1.711 176.318 174.600 0.012 0.000 1.030 240 S CA 1.520 59.728 58.200 0.014 0.000 1.002 240 S CB -0.423 62.786 63.200 0.015 0.000 0.829 240 S HN 0.522 nan 8.310 nan 0.000 0.467 241 L N 0.529 121.760 121.223 0.014 0.000 2.240 241 L HA 0.030 4.370 4.340 0.000 0.000 0.211 241 L C 1.352 178.227 176.870 0.007 0.000 1.106 241 L CA 0.634 55.481 54.840 0.011 0.000 0.793 241 L CB -0.331 41.737 42.059 0.014 0.000 0.927 241 L HN 0.305 nan 8.230 nan 0.000 0.446 242 Q N 0.000 119.805 119.800 0.009 0.000 2.315 242 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 242 Q CA 0.000 55.806 55.803 0.006 0.000 1.022 242 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 242 Q HN 0.000 nan 8.270 nan 0.000 0.481