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 2uum_1_D DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVVS QADTRGEMLS TAQIDALSQM VAESNKRLDV VNRITSNAST DATA SEQUENCE IVSNAARSLF AEQPQLIAPG GNAYTSTRMA ACLRDMEIIL RYVTYAVFAG DATA SEQUENCE DASVLEDRCL NGLRETYLAL GTPGSSVAVG VGKMKEAALA IVNDPAGITP DATA SEQUENCE GDCSALASEI ASYFDRACAA VS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.022 176.300 -0.463 0.000 1.140 1 M CA 0.000 55.076 55.300 -0.373 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.148 0.000 1.302 2 F N 1.011 120.976 119.950 0.025 0.000 2.492 2 F HA 0.709 5.236 4.527 0.000 0.000 0.327 2 F C -0.086 175.739 175.800 0.043 0.000 1.079 2 F CA -0.318 57.703 58.000 0.035 0.000 0.967 2 F CB 1.401 40.420 39.000 0.031 0.000 1.169 2 F HN 0.754 nan 8.300 nan 0.000 0.472 3 D N 0.441 121.001 120.400 0.268 0.000 2.385 3 D HA 0.528 5.168 4.640 0.000 0.000 0.254 3 D C 0.898 177.272 176.300 0.123 0.000 1.053 3 D CA -0.599 53.507 54.000 0.177 0.000 0.992 3 D CB 0.854 41.766 40.800 0.187 0.000 1.145 3 D HN 0.545 nan 8.370 nan 0.000 0.523 4 A N 0.005 122.816 122.820 -0.016 0.000 1.927 4 A HA -0.203 4.117 4.320 0.000 0.000 0.220 4 A C 1.936 179.407 177.584 -0.188 0.000 1.185 4 A CA 1.464 53.408 52.037 -0.156 0.000 0.639 4 A CB -1.244 17.567 19.000 -0.314 0.000 0.820 4 A HN 0.590 nan 8.150 nan 0.000 0.451 5 F N 0.539 120.499 119.950 0.017 0.000 2.051 5 F HA -0.184 4.343 4.527 0.000 0.000 0.296 5 F C 3.050 178.853 175.800 0.005 0.000 1.122 5 F CA 1.946 59.949 58.000 0.006 0.000 1.201 5 F CB -1.008 37.998 39.000 0.010 0.000 0.978 5 F HN 0.352 nan 8.300 nan 0.000 0.472 6 T N -1.699 113.010 114.554 0.258 0.000 3.007 6 T HA -0.147 4.203 4.350 0.000 0.000 0.270 6 T C 1.760 176.461 174.700 0.003 0.000 1.107 6 T CA 1.160 63.372 62.100 0.187 0.000 1.118 6 T CB -0.253 68.786 68.868 0.285 0.000 0.889 6 T HN 0.018 nan 8.240 nan 0.000 0.506 7 K N 1.650 122.003 120.400 -0.079 0.000 2.002 7 K HA 0.011 4.331 4.320 0.000 0.000 0.209 7 K C 2.100 178.505 176.600 -0.325 0.000 1.048 7 K CA 1.638 57.667 56.287 -0.431 0.000 0.930 7 K CB -1.105 31.274 32.500 -0.201 0.000 0.714 7 K HN 0.302 nan 8.250 nan 0.000 0.438 8 V N 0.318 120.145 119.914 -0.146 0.000 2.295 8 V HA -0.231 3.889 4.120 0.000 0.000 0.246 8 V C 2.397 178.445 176.094 -0.077 0.000 1.049 8 V CA 1.805 64.047 62.300 -0.096 0.000 1.024 8 V CB -0.498 31.299 31.823 -0.042 0.000 0.648 8 V HN 0.165 nan 8.190 nan 0.000 0.447 9 V N 0.859 120.752 119.914 -0.034 0.000 2.282 9 V HA -0.294 3.826 4.120 0.000 0.000 0.249 9 V C 2.787 178.852 176.094 -0.047 0.000 1.057 9 V CA 2.606 64.900 62.300 -0.010 0.000 1.032 9 V CB -0.869 30.978 31.823 0.039 0.000 0.645 9 V HN 0.764 nan 8.190 nan 0.000 0.447 10 S N -0.991 114.637 115.700 -0.121 0.000 2.423 10 S HA -0.254 4.216 4.470 0.000 0.000 0.231 10 S C 1.921 176.450 174.600 -0.118 0.000 1.014 10 S CA 1.670 59.799 58.200 -0.118 0.000 0.965 10 S CB -0.326 62.731 63.200 -0.239 0.000 0.785 10 S HN 0.690 nan 8.310 nan 0.000 0.495 11 Q N 0.473 120.180 119.800 -0.156 0.000 2.123 11 Q HA 0.150 4.490 4.340 0.000 0.000 0.199 11 Q C 2.521 178.487 176.000 -0.057 0.000 0.966 11 Q CA 1.336 57.076 55.803 -0.104 0.000 0.845 11 Q CB -0.413 28.258 28.738 -0.112 0.000 0.907 11 Q HN 0.792 nan 8.270 nan 0.000 0.439 12 A N 0.686 123.478 122.820 -0.047 0.000 1.968 12 A HA -0.200 4.120 4.320 0.000 0.000 0.217 12 A C 1.601 179.176 177.584 -0.014 0.000 1.169 12 A CA 1.656 53.678 52.037 -0.025 0.000 0.638 12 A CB -0.379 18.611 19.000 -0.016 0.000 0.812 12 A HN 0.382 nan 8.150 nan 0.000 0.446 13 D N -0.346 120.046 120.400 -0.013 0.000 2.144 13 D HA -0.148 4.492 4.640 0.000 0.000 0.200 13 D C 2.076 178.376 176.300 -0.001 0.000 0.978 13 D CA 2.062 56.062 54.000 -0.001 0.000 0.833 13 D CB -0.131 40.675 40.800 0.009 0.000 0.961 13 D HN 0.449 nan 8.370 nan 0.000 0.470 14 T N -2.568 111.982 114.554 -0.006 0.000 3.051 14 T HA -0.022 4.328 4.350 0.000 0.000 0.269 14 T C 1.788 176.486 174.700 -0.003 0.000 1.127 14 T CA 0.495 62.594 62.100 -0.001 0.000 1.107 14 T CB -0.191 68.676 68.868 -0.002 0.000 0.898 14 T HN 0.090 nan 8.240 nan 0.000 0.517 15 R N 0.089 120.585 120.500 -0.007 0.000 2.334 15 R HA 0.331 4.671 4.340 0.000 0.000 0.212 15 R C 1.730 178.029 176.300 -0.003 0.000 0.897 15 R CA 0.334 56.431 56.100 -0.006 0.000 1.056 15 R CB 0.189 30.484 30.300 -0.009 0.000 1.046 15 R HN 0.518 nan 8.270 nan 0.000 0.513 16 G N 1.969 110.768 108.800 -0.002 0.000 2.203 16 G HA2 -0.317 3.643 3.960 0.000 0.000 0.263 16 G HA3 -0.317 3.643 3.960 0.000 0.000 0.263 16 G C -0.182 174.718 174.900 -0.001 0.000 1.012 16 G CA 0.523 45.623 45.100 0.000 0.000 0.749 16 G HN 0.377 nan 8.290 nan 0.000 0.512 17 E N -0.551 119.647 120.200 -0.002 0.000 2.222 17 E HA 0.691 5.041 4.350 0.000 0.000 0.267 17 E C 1.098 177.698 176.600 -0.001 0.000 0.963 17 E CA -0.911 55.487 56.400 -0.002 0.000 0.837 17 E CB 0.725 30.422 29.700 -0.004 0.000 1.183 17 E HN 0.346 nan 8.360 nan 0.000 0.403 18 M N 1.728 121.328 119.600 0.000 0.000 2.283 18 M HA 0.318 4.798 4.480 0.000 0.000 0.314 18 M C -0.123 176.178 176.300 0.002 0.000 1.153 18 M CA -0.630 54.671 55.300 0.002 0.000 1.084 18 M CB 0.377 32.978 32.600 0.003 0.000 1.468 18 M HN 0.265 nan 8.290 nan 0.000 0.474 19 L N 1.676 122.902 121.223 0.005 0.000 2.416 19 L HA 0.147 4.487 4.340 0.000 0.000 0.272 19 L C 0.853 177.726 176.870 0.004 0.000 1.161 19 L CA -0.360 54.483 54.840 0.005 0.000 0.845 19 L CB 0.646 42.713 42.059 0.014 0.000 1.119 19 L HN 0.880 nan 8.230 nan 0.000 0.464 20 S N 0.000 115.701 115.700 0.001 0.000 2.568 20 S HA -0.008 4.462 4.470 0.000 0.000 0.282 20 S C 1.333 175.935 174.600 0.003 0.000 1.338 20 S CA -0.126 58.075 58.200 0.001 0.000 1.045 20 S CB 1.143 64.342 63.200 -0.002 0.000 0.873 20 S HN 0.817 nan 8.310 nan 0.000 0.516 21 T N 0.085 114.641 114.554 0.003 0.000 2.881 21 T HA -0.098 4.252 4.350 0.000 0.000 0.270 21 T C 1.936 176.639 174.700 0.004 0.000 1.068 21 T CA 1.059 63.162 62.100 0.005 0.000 1.131 21 T CB -0.965 67.906 68.868 0.005 0.000 0.871 21 T HN 0.931 nan 8.240 nan 0.000 0.479 22 A N 1.981 124.802 122.820 0.001 0.000 1.873 22 A HA -0.228 4.092 4.320 0.000 0.000 0.218 22 A C 2.478 180.061 177.584 -0.002 0.000 1.193 22 A CA 2.049 54.085 52.037 -0.001 0.000 0.629 22 A CB -1.060 17.938 19.000 -0.004 0.000 0.826 22 A HN 0.676 nan 8.150 nan 0.000 0.447 23 Q N -0.773 119.026 119.800 -0.002 0.000 2.170 23 Q HA -0.094 4.246 4.340 0.000 0.000 0.203 23 Q C 2.046 178.051 176.000 0.008 0.000 0.976 23 Q CA 1.454 57.256 55.803 -0.002 0.000 0.858 23 Q CB -0.296 28.441 28.738 -0.003 0.000 0.907 23 Q HN 0.763 nan 8.270 nan 0.000 0.433 24 I N 0.681 121.261 120.570 0.017 0.000 2.353 24 I HA -0.228 3.942 4.170 0.000 0.000 0.248 24 I C 1.426 177.560 176.117 0.028 0.000 1.119 24 I CA 0.819 62.139 61.300 0.032 0.000 1.417 24 I CB -0.214 37.804 38.000 0.030 0.000 1.078 24 I HN 0.146 nan 8.210 nan 0.000 0.421 25 D N 1.332 121.741 120.400 0.015 0.000 2.117 25 D HA -0.147 4.493 4.640 0.000 0.000 0.197 25 D C 2.270 178.572 176.300 0.003 0.000 0.987 25 D CA 1.517 55.524 54.000 0.010 0.000 0.829 25 D CB -0.182 40.621 40.800 0.005 0.000 0.961 25 D HN 0.302 nan 8.370 nan 0.000 0.460 26 A N 0.648 123.465 122.820 -0.005 0.000 1.883 26 A HA -0.169 4.151 4.320 0.000 0.000 0.217 26 A C 2.385 179.950 177.584 -0.031 0.000 1.186 26 A CA 1.151 53.176 52.037 -0.020 0.000 0.624 26 A CB -0.852 18.132 19.000 -0.027 0.000 0.822 26 A HN 0.236 nan 8.150 nan 0.000 0.444 27 L N -0.910 120.301 121.223 -0.020 0.000 2.093 27 L HA -0.126 4.214 4.340 0.000 0.000 0.208 27 L C 2.846 179.731 176.870 0.026 0.000 1.085 27 L CA 1.227 56.050 54.840 -0.029 0.000 0.755 27 L CB -0.418 41.665 42.059 0.041 0.000 0.904 27 L HN 0.323 nan 8.230 nan 0.000 0.435 28 S N -0.792 114.936 115.700 0.048 0.000 2.374 28 S HA -0.244 4.226 4.470 0.000 0.000 0.227 28 S C 1.993 176.608 174.600 0.024 0.000 1.037 28 S CA 1.221 59.450 58.200 0.049 0.000 1.024 28 S CB -0.178 63.043 63.200 0.035 0.000 0.861 28 S HN 0.387 nan 8.310 nan 0.000 0.456 29 Q N 0.464 120.266 119.800 0.003 0.000 2.050 29 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 29 Q C 2.146 178.136 176.000 -0.017 0.000 0.980 29 Q CA 1.230 57.029 55.803 -0.007 0.000 0.840 29 Q CB -0.442 28.287 28.738 -0.015 0.000 0.898 29 Q HN 0.506 nan 8.270 nan 0.000 0.424 30 M N -0.005 119.571 119.600 -0.040 0.000 2.279 30 M HA -0.142 4.338 4.480 0.000 0.000 0.264 30 M C 1.812 178.088 176.300 -0.039 0.000 1.062 30 M CA 0.964 56.225 55.300 -0.065 0.000 1.099 30 M CB 0.051 32.565 32.600 -0.143 0.000 1.394 30 M HN 0.022 nan 8.290 nan 0.000 0.426 31 V N 0.431 120.348 119.914 0.005 0.000 2.407 31 V HA -0.153 3.967 4.120 0.000 0.000 0.245 31 V C 2.595 178.704 176.094 0.026 0.000 1.041 31 V CA 1.610 63.940 62.300 0.049 0.000 1.040 31 V CB -1.060 30.826 31.823 0.104 0.000 0.671 31 V HN 0.599 nan 8.190 nan 0.000 0.455 32 A N -0.662 122.169 122.820 0.017 0.000 2.070 32 A HA -0.187 4.133 4.320 0.000 0.000 0.220 32 A C 1.905 179.492 177.584 0.006 0.000 1.159 32 A CA 1.501 53.545 52.037 0.012 0.000 0.656 32 A CB -0.299 18.706 19.000 0.009 0.000 0.800 32 A HN 0.630 nan 8.150 nan 0.000 0.453 33 E N -0.165 120.035 120.200 -0.001 0.000 2.499 33 E HA 0.022 4.372 4.350 0.000 0.000 0.199 33 E C 1.507 178.104 176.600 -0.004 0.000 1.016 33 E CA 0.491 56.890 56.400 -0.003 0.000 0.933 33 E CB 0.182 29.877 29.700 -0.008 0.000 1.050 33 E HN 0.757 nan 8.360 nan 0.000 0.462 34 S N 0.277 115.975 115.700 -0.004 0.000 2.428 34 S HA -0.118 4.352 4.470 0.000 0.000 0.230 34 S C 1.550 176.149 174.600 -0.003 0.000 1.014 34 S CA 0.808 59.001 58.200 -0.012 0.000 0.957 34 S CB -0.290 62.904 63.200 -0.009 0.000 0.784 34 S HN 0.248 nan 8.310 nan 0.000 0.499 35 N N 1.725 120.430 118.700 0.007 0.000 2.149 35 N HA -0.072 4.668 4.740 0.000 0.000 0.188 35 N C 1.809 177.331 175.510 0.021 0.000 1.019 35 N CA 1.364 54.423 53.050 0.015 0.000 0.857 35 N CB -0.145 38.351 38.487 0.016 0.000 0.997 35 N HN 0.514 nan 8.380 nan 0.000 0.426 36 K N 0.786 121.196 120.400 0.017 0.000 2.057 36 K HA -0.125 4.195 4.320 0.000 0.000 0.206 36 K C 2.112 178.732 176.600 0.032 0.000 1.050 36 K CA 0.729 57.030 56.287 0.023 0.000 0.935 36 K CB -0.102 32.409 32.500 0.018 0.000 0.715 36 K HN 0.162 nan 8.250 nan 0.000 0.439 37 R N 1.487 122.001 120.500 0.024 0.000 2.070 37 R HA -0.116 4.224 4.340 0.000 0.000 0.233 37 R C 2.278 178.613 176.300 0.057 0.000 1.137 37 R CA 1.251 57.371 56.100 0.034 0.000 0.945 37 R CB -0.321 29.979 30.300 0.001 0.000 0.845 37 R HN 0.102 nan 8.270 nan 0.000 0.430 38 L N 0.774 122.022 121.223 0.043 0.000 2.042 38 L HA -0.229 4.111 4.340 0.000 0.000 0.210 38 L C 2.205 179.129 176.870 0.090 0.000 1.076 38 L CA 1.342 56.231 54.840 0.082 0.000 0.749 38 L CB -0.649 41.449 42.059 0.065 0.000 0.893 38 L HN 0.273 nan 8.230 nan 0.000 0.432 39 D N -0.010 120.428 120.400 0.065 0.000 2.116 39 D HA -0.194 4.446 4.640 0.000 0.000 0.193 39 D C 2.269 178.611 176.300 0.069 0.000 0.998 39 D CA 1.986 56.022 54.000 0.059 0.000 0.836 39 D CB -0.234 40.593 40.800 0.045 0.000 0.951 39 D HN 0.343 nan 8.370 nan 0.000 0.449 40 V N -0.415 119.545 119.914 0.077 0.000 2.295 40 V HA -0.203 3.917 4.120 0.000 0.000 0.246 40 V C 2.399 178.558 176.094 0.108 0.000 1.049 40 V CA 1.471 63.825 62.300 0.089 0.000 1.024 40 V CB -0.873 31.008 31.823 0.097 0.000 0.648 40 V HN 0.027 nan 8.190 nan 0.000 0.447 41 V N 1.789 121.782 119.914 0.131 0.000 2.287 41 V HA -0.279 3.841 4.120 0.000 0.000 0.248 41 V C 2.707 178.866 176.094 0.108 0.000 1.053 41 V CA 2.880 65.270 62.300 0.149 0.000 1.027 41 V CB -1.340 30.628 31.823 0.242 0.000 0.646 41 V HN 0.774 nan 8.190 nan 0.000 0.447 42 N N 0.246 119.006 118.700 0.099 0.000 2.084 42 N HA -0.180 4.560 4.740 0.000 0.000 0.190 42 N C 1.969 177.512 175.510 0.056 0.000 1.030 42 N CA 1.732 54.825 53.050 0.072 0.000 0.849 42 N CB -0.206 38.321 38.487 0.067 0.000 1.012 42 N HN 0.383 nan 8.380 nan 0.000 0.423 43 R N -0.216 120.319 120.500 0.058 0.000 2.075 43 R HA 0.025 4.365 4.340 0.000 0.000 0.232 43 R C 2.268 178.599 176.300 0.050 0.000 1.126 43 R CA 1.406 57.534 56.100 0.048 0.000 0.963 43 R CB -0.349 29.979 30.300 0.047 0.000 0.858 43 R HN 0.341 nan 8.270 nan 0.000 0.435 44 I N 0.044 120.654 120.570 0.067 0.000 2.226 44 I HA -0.252 3.918 4.170 0.000 0.000 0.245 44 I C 2.107 178.254 176.117 0.049 0.000 1.100 44 I CA 1.333 62.678 61.300 0.074 0.000 1.374 44 I CB -0.428 37.641 38.000 0.115 0.000 1.057 44 I HN 0.165 nan 8.210 nan 0.000 0.413 45 T N -0.019 114.559 114.554 0.040 0.000 2.684 45 T HA -0.159 4.191 4.350 0.000 0.000 0.267 45 T C 1.981 176.689 174.700 0.013 0.000 1.036 45 T CA 1.794 63.904 62.100 0.015 0.000 1.148 45 T CB -0.207 68.669 68.868 0.012 0.000 0.863 45 T HN 0.248 nan 8.240 nan 0.000 0.436 46 S N 1.420 117.133 115.700 0.021 0.000 2.547 46 S HA 0.010 4.480 4.470 0.000 0.000 0.235 46 S C 1.162 175.771 174.600 0.015 0.000 0.980 46 S CA 0.618 58.828 58.200 0.017 0.000 0.941 46 S CB -0.263 62.950 63.200 0.021 0.000 0.763 46 S HN 0.537 nan 8.310 nan 0.000 0.532 47 N N 0.042 118.753 118.700 0.018 0.000 2.238 47 N HA 0.385 5.125 4.740 0.000 0.000 0.235 47 N C 1.184 176.703 175.510 0.015 0.000 1.209 47 N CA 0.294 53.353 53.050 0.015 0.000 0.879 47 N CB 0.416 38.913 38.487 0.017 0.000 1.136 47 N HN 0.219 nan 8.380 nan 0.000 0.517 48 A N 0.613 123.440 122.820 0.011 0.000 1.903 48 A HA -0.248 4.072 4.320 0.000 0.000 0.219 48 A C 2.209 179.797 177.584 0.007 0.000 1.191 48 A CA 2.371 54.412 52.037 0.008 0.000 0.638 48 A CB -0.680 18.315 19.000 -0.009 0.000 0.823 48 A HN 0.412 nan 8.150 nan 0.000 0.451 49 S N -0.912 114.791 115.700 0.005 0.000 2.446 49 S HA -0.100 4.370 4.470 0.000 0.000 0.225 49 S C 1.873 176.477 174.600 0.007 0.000 1.016 49 S CA 1.457 59.660 58.200 0.006 0.000 0.943 49 S CB -1.033 62.170 63.200 0.006 0.000 0.786 49 S HN 0.802 nan 8.310 nan 0.000 0.508 50 T N 0.913 115.470 114.554 0.005 0.000 2.942 50 T HA 0.181 4.531 4.350 0.000 0.000 0.265 50 T C 1.773 176.471 174.700 -0.002 0.000 1.062 50 T CA 0.577 62.678 62.100 0.002 0.000 1.139 50 T CB -0.773 68.095 68.868 0.001 0.000 0.883 50 T HN 0.349 nan 8.240 nan 0.000 0.468 51 I N 1.085 121.656 120.570 0.002 0.000 2.127 51 I HA -0.177 3.993 4.170 0.000 0.000 0.241 51 I C 2.718 178.833 176.117 -0.005 0.000 1.075 51 I CA 1.163 62.463 61.300 0.000 0.000 1.334 51 I CB -0.454 37.558 38.000 0.020 0.000 1.040 51 I HN 0.127 nan 8.210 nan 0.000 0.405 52 V N 0.702 120.618 119.914 0.004 0.000 2.237 52 V HA -0.291 3.829 4.120 0.000 0.000 0.245 52 V C 2.661 178.746 176.094 -0.015 0.000 1.046 52 V CA 2.295 64.595 62.300 0.000 0.000 1.007 52 V CB -0.824 31.007 31.823 0.012 0.000 0.638 52 V HN 0.636 nan 8.190 nan 0.000 0.445 53 S N 0.883 116.582 115.700 -0.003 0.000 2.356 53 S HA -0.257 4.213 4.470 0.000 0.000 0.223 53 S C 1.822 176.410 174.600 -0.019 0.000 1.032 53 S CA 1.806 60.008 58.200 0.003 0.000 1.005 53 S CB -0.790 62.420 63.200 0.017 0.000 0.867 53 S HN 0.607 nan 8.310 nan 0.000 0.449 54 N N 2.896 121.582 118.700 -0.024 0.000 2.104 54 N HA 0.007 4.747 4.740 0.000 0.000 0.190 54 N C 2.024 177.491 175.510 -0.071 0.000 1.024 54 N CA 1.576 54.604 53.050 -0.036 0.000 0.853 54 N CB -1.063 37.406 38.487 -0.030 0.000 1.008 54 N HN 0.653 nan 8.380 nan 0.000 0.424 55 A N 1.085 123.856 122.820 -0.082 0.000 1.877 55 A HA 0.051 4.371 4.320 0.000 0.000 0.216 55 A C 2.413 179.870 177.584 -0.213 0.000 1.186 55 A CA 1.952 53.918 52.037 -0.118 0.000 0.620 55 A CB -0.914 18.030 19.000 -0.092 0.000 0.822 55 A HN 0.316 nan 8.150 nan 0.000 0.443 56 A N -0.123 122.554 122.820 -0.238 0.000 1.865 56 A HA -0.214 4.106 4.320 0.000 0.000 0.217 56 A C 2.255 179.454 177.584 -0.643 0.000 1.191 56 A CA 2.002 53.738 52.037 -0.502 0.000 0.623 56 A CB -0.598 18.252 19.000 -0.250 0.000 0.826 56 A HN 0.578 nan 8.150 nan 0.000 0.444 57 R N -0.436 119.940 120.500 -0.205 0.000 2.096 57 R HA -0.168 4.172 4.340 0.000 0.000 0.240 57 R C 2.489 178.743 176.300 -0.077 0.000 1.139 57 R CA 2.078 58.159 56.100 -0.032 0.000 0.952 57 R CB -0.421 29.893 30.300 0.024 0.000 0.854 57 R HN 0.511 nan 8.270 nan 0.000 0.436 58 S N 0.109 115.733 115.700 -0.127 0.000 2.368 58 S HA -0.129 4.341 4.470 0.000 0.000 0.224 58 S C 1.901 176.431 174.600 -0.117 0.000 1.029 58 S CA 1.181 59.326 58.200 -0.091 0.000 0.988 58 S CB -0.326 62.822 63.200 -0.087 0.000 0.838 58 S HN 0.389 nan 8.310 nan 0.000 0.462 59 L N 0.855 121.928 121.223 -0.251 0.000 2.042 59 L HA 0.044 4.384 4.340 0.000 0.000 0.210 59 L C 1.819 178.625 176.870 -0.106 0.000 1.076 59 L CA 2.007 56.700 54.840 -0.245 0.000 0.749 59 L CB -1.083 40.732 42.059 -0.407 0.000 0.893 59 L HN 0.332 nan 8.230 nan 0.000 0.432 60 F N 0.066 120.016 119.950 -0.000 0.000 2.234 60 F HA 0.032 4.559 4.527 0.000 0.000 0.299 60 F C 2.569 178.369 175.800 0.001 0.000 1.087 60 F CA 0.693 58.694 58.000 0.002 0.000 1.340 60 F CB -1.705 37.300 39.000 0.008 0.000 1.031 60 F HN 0.201 nan 8.300 nan 0.000 0.500 61 A N -0.052 122.859 122.820 0.152 0.000 1.930 61 A HA -0.158 4.162 4.320 0.000 0.000 0.217 61 A C 2.164 179.783 177.584 0.058 0.000 1.175 61 A CA 1.512 53.602 52.037 0.089 0.000 0.627 61 A CB -0.666 18.365 19.000 0.051 0.000 0.815 61 A HN 0.407 nan 8.150 nan 0.000 0.443 62 E N -0.560 119.664 120.200 0.040 0.000 2.152 62 E HA -0.104 4.246 4.350 0.000 0.000 0.192 62 E C 0.443 177.067 176.600 0.039 0.000 0.983 62 E CA 0.763 57.178 56.400 0.025 0.000 0.818 62 E CB 0.007 29.708 29.700 0.002 0.000 0.758 62 E HN 0.659 nan 8.360 nan 0.000 0.467 63 Q N 0.273 120.115 119.800 0.071 0.000 2.943 63 Q HA 0.125 4.465 4.340 0.000 0.000 0.327 63 Q C -2.090 173.966 176.000 0.093 0.000 0.937 63 Q CA -1.391 54.457 55.803 0.075 0.000 0.914 63 Q CB 1.325 30.108 28.738 0.076 0.000 1.339 63 Q HN 0.098 nan 8.270 nan 0.000 0.417 64 P HA -0.218 nan 4.420 nan 0.000 0.226 64 P C 1.184 178.494 177.300 0.017 0.000 1.153 64 P CA 0.986 64.114 63.100 0.047 0.000 0.777 64 P CB 0.305 32.020 31.700 0.026 0.000 0.794 65 Q N 0.284 120.094 119.800 0.018 0.000 2.291 65 Q HA -0.110 4.230 4.340 0.000 0.000 0.206 65 Q C 1.977 177.978 176.000 0.000 0.000 0.976 65 Q CA 1.150 56.953 55.803 -0.001 0.000 0.875 65 Q CB -1.342 27.397 28.738 0.001 0.000 0.927 65 Q HN 0.306 nan 8.270 nan 0.000 0.450 66 L N 0.854 122.094 121.223 0.029 0.000 2.141 66 L HA -0.045 4.295 4.340 0.000 0.000 0.209 66 L C 2.372 179.218 176.870 -0.040 0.000 1.094 66 L CA 1.248 56.106 54.840 0.030 0.000 0.763 66 L CB -0.261 41.876 42.059 0.131 0.000 0.908 66 L HN 0.324 nan 8.230 nan 0.000 0.437 67 I N -4.230 116.291 120.570 -0.081 0.000 4.154 67 I HA 0.357 4.527 4.170 0.000 0.000 0.334 67 I C 1.087 177.168 176.117 -0.061 0.000 1.371 67 I CA -0.522 60.709 61.300 -0.115 0.000 1.110 67 I CB -0.055 37.791 38.000 -0.256 0.000 1.085 67 I HN -0.083 nan 8.210 nan 0.000 0.398 68 A N 3.037 125.802 122.820 -0.091 0.000 2.531 68 A HA 0.341 4.661 4.320 0.000 0.000 0.236 68 A C -2.278 175.103 177.584 -0.338 0.000 1.062 68 A CA -0.655 51.283 52.037 -0.165 0.000 0.760 68 A CB -0.818 18.112 19.000 -0.117 0.000 0.995 68 A HN 0.159 nan 8.150 nan 0.000 0.501 69 P HA 0.271 nan 4.420 nan 0.000 0.265 69 P C 1.122 178.116 177.300 -0.510 0.000 1.193 69 P CA 1.675 64.011 63.100 -1.275 0.000 0.765 69 P CB 0.705 31.802 31.700 -1.003 0.000 0.823 70 G N 1.569 110.206 108.800 -0.271 0.000 2.345 70 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 70 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 70 G C 0.621 175.528 174.900 0.011 0.000 1.058 70 G CA -0.163 44.901 45.100 -0.060 0.000 0.632 70 G HN 0.886 nan 8.290 nan 0.000 0.508 71 G N -0.175 108.625 108.800 0.000 0.000 2.527 71 G HA2 0.411 4.371 3.960 0.000 0.000 0.248 71 G HA3 0.411 4.371 3.960 0.000 0.000 0.248 71 G C 0.789 175.730 174.900 0.069 0.000 1.231 71 G CA 0.567 45.683 45.100 0.027 0.000 0.838 71 G HN 0.359 nan 8.290 nan 0.000 0.570 72 N N 0.717 119.440 118.700 0.039 0.000 2.348 72 N HA -0.122 4.618 4.740 0.000 0.000 0.185 72 N C 1.785 177.311 175.510 0.028 0.000 1.019 72 N CA 0.908 53.978 53.050 0.033 0.000 0.880 72 N CB 0.048 38.542 38.487 0.011 0.000 0.965 72 N HN 0.468 nan 8.380 nan 0.000 0.437 73 A N -0.402 122.426 122.820 0.013 0.000 2.500 73 A HA 0.088 4.408 4.320 0.000 0.000 0.267 73 A C -0.162 177.385 177.584 -0.061 0.000 1.290 73 A CA -0.503 51.509 52.037 -0.042 0.000 0.928 73 A CB -0.195 18.741 19.000 -0.107 0.000 1.066 73 A HN 0.397 nan 8.150 nan 0.000 0.516 74 Y N 1.684 121.920 120.300 -0.107 0.000 2.335 74 Y HA 0.454 5.004 4.550 0.000 0.000 0.323 74 Y C 0.546 176.405 175.900 -0.068 0.000 1.224 74 Y CA 0.317 58.358 58.100 -0.100 0.000 1.241 74 Y CB 0.733 39.147 38.460 -0.077 0.000 1.235 74 Y HN 0.818 nan 8.280 nan 0.000 0.492 75 T N 0.948 114.907 114.554 -0.992 0.000 0.541 75 T HA -0.174 4.176 4.350 0.000 0.000 0.774 75 T C 0.394 174.907 174.700 -0.310 0.000 0.992 75 T CA 0.118 61.812 62.100 -0.677 0.000 4.077 75 T CB -1.719 66.849 68.868 -0.500 0.000 2.303 75 T HN 0.855 nan 8.240 nan 0.000 0.398 76 S N 1.328 116.893 115.700 -0.225 0.000 2.370 76 S HA -0.146 4.324 4.470 0.000 0.000 0.226 76 S C 2.303 176.848 174.600 -0.091 0.000 1.033 76 S CA 1.953 60.077 58.200 -0.127 0.000 1.011 76 S CB -0.740 62.404 63.200 -0.094 0.000 0.852 76 S HN 1.155 nan 8.310 nan 0.000 0.457 77 T N 1.807 116.306 114.554 -0.092 0.000 2.720 77 T HA -0.120 4.230 4.350 0.000 0.000 0.268 77 T C 1.915 176.591 174.700 -0.039 0.000 1.037 77 T CA 1.220 63.288 62.100 -0.054 0.000 1.144 77 T CB -0.142 68.698 68.868 -0.046 0.000 0.864 77 T HN 0.348 nan 8.240 nan 0.000 0.444 78 R N -0.378 120.087 120.500 -0.059 0.000 2.062 78 R HA 0.085 4.425 4.340 0.000 0.000 0.226 78 R C 2.477 178.766 176.300 -0.018 0.000 1.125 78 R CA 1.348 57.429 56.100 -0.030 0.000 0.966 78 R CB -0.577 29.701 30.300 -0.037 0.000 0.861 78 R HN 0.360 nan 8.270 nan 0.000 0.433 79 M N 1.636 121.205 119.600 -0.053 0.000 2.088 79 M HA -0.200 4.280 4.480 0.000 0.000 0.256 79 M C 2.196 178.511 176.300 0.026 0.000 1.071 79 M CA 1.997 57.279 55.300 -0.030 0.000 1.097 79 M CB -0.682 31.871 32.600 -0.079 0.000 1.315 79 M HN 0.166 nan 8.290 nan 0.000 0.406 80 A N -0.312 122.512 122.820 0.007 0.000 1.884 80 A HA -0.111 4.209 4.320 0.000 0.000 0.219 80 A C 2.425 180.034 177.584 0.041 0.000 1.197 80 A CA 2.987 55.037 52.037 0.022 0.000 0.637 80 A CB -1.672 17.331 19.000 0.005 0.000 0.827 80 A HN 0.754 nan 8.150 nan 0.000 0.450 81 A N -1.437 121.406 122.820 0.038 0.000 1.933 81 A HA -0.187 4.133 4.320 0.000 0.000 0.218 81 A C 2.433 180.067 177.584 0.083 0.000 1.175 81 A CA 1.802 53.873 52.037 0.057 0.000 0.628 81 A CB -1.360 17.672 19.000 0.054 0.000 0.814 81 A HN 0.903 nan 8.150 nan 0.000 0.444 82 C N -0.538 118.815 119.300 0.088 0.000 2.476 82 C HA 0.034 4.494 4.460 0.000 0.000 0.278 82 C C 2.602 177.666 174.990 0.123 0.000 1.274 82 C CA 1.043 60.131 59.018 0.116 0.000 1.713 82 C CB -1.545 26.288 27.740 0.154 0.000 2.039 82 C HN 0.581 nan 8.230 nan 0.000 0.484 83 L N 0.678 121.976 121.223 0.125 0.000 2.042 83 L HA -0.150 4.190 4.340 0.000 0.000 0.210 83 L C 3.072 179.985 176.870 0.072 0.000 1.076 83 L CA 1.916 56.816 54.840 0.100 0.000 0.749 83 L CB -0.898 41.219 42.059 0.096 0.000 0.893 83 L HN 0.393 nan 8.230 nan 0.000 0.432 84 R N 0.298 120.839 120.500 0.068 0.000 2.105 84 R HA -0.199 4.141 4.340 0.000 0.000 0.239 84 R C 1.710 178.052 176.300 0.070 0.000 1.135 84 R CA 2.052 58.187 56.100 0.058 0.000 0.967 84 R CB -0.209 30.122 30.300 0.053 0.000 0.861 84 R HN 0.363 nan 8.270 nan 0.000 0.442 85 D N -0.113 120.345 120.400 0.096 0.000 2.149 85 D HA -0.126 4.514 4.640 0.000 0.000 0.201 85 D C 1.954 178.317 176.300 0.106 0.000 0.972 85 D CA 0.954 55.028 54.000 0.123 0.000 0.835 85 D CB -0.045 40.869 40.800 0.190 0.000 0.966 85 D HN 0.190 nan 8.370 nan 0.000 0.476 86 M N 0.188 119.839 119.600 0.085 0.000 2.117 86 M HA -0.125 4.355 4.480 0.000 0.000 0.262 86 M C 2.162 178.494 176.300 0.054 0.000 1.065 86 M CA 1.153 56.492 55.300 0.066 0.000 1.114 86 M CB -0.726 31.898 32.600 0.041 0.000 1.361 86 M HN 0.122 nan 8.290 nan 0.000 0.408 87 E N 0.855 121.078 120.200 0.039 0.000 2.072 87 E HA -0.132 4.218 4.350 0.000 0.000 0.191 87 E C 2.021 178.613 176.600 -0.013 0.000 0.985 87 E CA 0.862 57.267 56.400 0.009 0.000 0.801 87 E CB 0.026 29.729 29.700 0.004 0.000 0.750 87 E HN 0.449 nan 8.360 nan 0.000 0.452 88 I N 0.776 121.361 120.570 0.026 0.000 2.179 88 I HA -0.294 3.876 4.170 0.000 0.000 0.242 88 I C 2.342 178.515 176.117 0.094 0.000 1.088 88 I CA 1.077 62.410 61.300 0.055 0.000 1.357 88 I CB -0.196 37.881 38.000 0.128 0.000 1.051 88 I HN 0.214 nan 8.210 nan 0.000 0.409 89 I N -0.023 120.602 120.570 0.092 0.000 2.226 89 I HA -0.304 3.866 4.170 0.000 0.000 0.245 89 I C 2.472 178.585 176.117 -0.008 0.000 1.100 89 I CA 1.121 62.468 61.300 0.080 0.000 1.374 89 I CB -0.329 37.721 38.000 0.084 0.000 1.057 89 I HN 0.219 nan 8.210 nan 0.000 0.413 90 L N 1.042 122.259 121.223 -0.010 0.000 2.012 90 L HA -0.234 4.107 4.340 0.000 0.000 0.210 90 L C 2.637 179.391 176.870 -0.194 0.000 1.073 90 L CA 1.816 56.626 54.840 -0.049 0.000 0.748 90 L CB -0.654 41.420 42.059 0.024 0.000 0.891 90 L HN 0.109 nan 8.230 nan 0.000 0.431 91 R N -1.807 118.523 120.500 -0.284 0.000 2.097 91 R HA -0.260 4.080 4.340 0.000 0.000 0.236 91 R C 2.336 178.053 176.300 -0.972 0.000 1.135 91 R CA 2.432 58.161 56.100 -0.619 0.000 0.934 91 R CB -0.677 29.225 30.300 -0.663 0.000 0.846 91 R HN 0.415 nan 8.270 nan 0.000 0.431 92 Y N -0.041 119.918 120.300 -0.570 0.000 2.224 92 Y HA -0.205 4.345 4.550 0.000 0.000 0.289 92 Y C 2.348 178.071 175.900 -0.296 0.000 1.146 92 Y CA 1.347 59.210 58.100 -0.395 0.000 1.182 92 Y CB -0.465 37.893 38.460 -0.170 0.000 0.983 92 Y HN -0.078 nan 8.280 nan 0.000 0.524 93 V N -0.124 119.674 119.914 -0.193 0.000 2.287 93 V HA -0.368 3.752 4.120 0.000 0.000 0.248 93 V C 2.568 178.536 176.094 -0.210 0.000 1.053 93 V CA 2.551 64.675 62.300 -0.295 0.000 1.027 93 V CB -1.416 30.033 31.823 -0.623 0.000 0.646 93 V HN 0.661 nan 8.190 nan 0.000 0.447 94 T N -2.035 112.401 114.554 -0.197 0.000 2.788 94 T HA -0.273 4.077 4.350 0.000 0.000 0.268 94 T C 1.847 176.589 174.700 0.070 0.000 1.044 94 T CA 1.815 63.878 62.100 -0.061 0.000 1.139 94 T CB -0.581 68.246 68.868 -0.067 0.000 0.867 94 T HN 0.384 nan 8.240 nan 0.000 0.454 95 Y N 2.506 122.743 120.300 -0.106 0.000 2.069 95 Y HA -0.014 4.536 4.550 0.000 0.000 0.278 95 Y C 3.241 179.121 175.900 -0.032 0.000 1.175 95 Y CA 0.371 58.426 58.100 -0.075 0.000 1.134 95 Y CB -1.675 36.725 38.460 -0.099 0.000 0.965 95 Y HN 0.395 nan 8.280 nan 0.000 0.498 96 A N -0.174 122.629 122.820 -0.028 0.000 1.908 96 A HA -0.160 4.160 4.320 0.000 0.000 0.218 96 A C 2.572 180.005 177.584 -0.251 0.000 1.181 96 A CA 2.174 53.996 52.037 -0.359 0.000 0.627 96 A CB -1.266 17.129 19.000 -1.009 0.000 0.818 96 A HN 0.251 nan 8.150 nan 0.000 0.445 97 V N -1.146 118.734 119.914 -0.055 0.000 2.252 97 V HA -0.299 3.821 4.120 0.000 0.000 0.249 97 V C 2.311 178.534 176.094 0.215 0.000 1.056 97 V CA 2.377 64.820 62.300 0.239 0.000 1.022 97 V CB -1.043 30.928 31.823 0.245 0.000 0.641 97 V HN 0.657 nan 8.190 nan 0.000 0.445 98 F N 1.277 121.269 119.950 0.069 0.000 2.161 98 F HA -0.165 4.362 4.527 0.000 0.000 0.300 98 F C 2.169 178.002 175.800 0.056 0.000 1.089 98 F CA 1.656 59.696 58.000 0.067 0.000 1.282 98 F CB -0.315 38.729 39.000 0.073 0.000 1.010 98 F HN 0.074 nan 8.300 nan 0.000 0.485 99 A N -0.201 122.764 122.820 0.242 0.000 2.072 99 A HA 0.299 4.619 4.320 0.000 0.000 0.216 99 A C 1.814 179.418 177.584 0.033 0.000 1.156 99 A CA 0.785 52.896 52.037 0.124 0.000 0.701 99 A CB -1.292 17.810 19.000 0.171 0.000 0.816 99 A HN 1.026 nan 8.150 nan 0.000 0.458 100 G N -0.740 108.097 108.800 0.061 0.000 2.225 100 G HA2 -0.181 3.779 3.960 0.000 0.000 0.264 100 G HA3 -0.181 3.779 3.960 0.000 0.000 0.264 100 G C -0.317 174.648 174.900 0.108 0.000 1.060 100 G CA 0.503 45.652 45.100 0.082 0.000 0.833 100 G HN 0.801 nan 8.290 nan 0.000 0.498 101 D N -1.686 118.782 120.400 0.113 0.000 2.787 101 D HA 0.438 5.078 4.640 0.000 0.000 0.215 101 D C 0.957 177.269 176.300 0.019 0.000 1.246 101 D CA 0.175 54.251 54.000 0.125 0.000 0.798 101 D CB 0.832 41.711 40.800 0.132 0.000 1.649 101 D HN 0.524 nan 8.370 nan 0.000 0.507 102 A N 2.135 125.012 122.820 0.094 0.000 2.121 102 A HA -0.086 4.234 4.320 0.000 0.000 0.218 102 A C 2.028 179.610 177.584 -0.004 0.000 1.154 102 A CA 1.867 53.900 52.037 -0.006 0.000 0.679 102 A CB -0.405 18.701 19.000 0.177 0.000 0.795 102 A HN 0.624 nan 8.150 nan 0.000 0.458 103 S N -0.171 115.564 115.700 0.060 0.000 2.365 103 S HA -0.203 4.267 4.470 0.000 0.000 0.225 103 S C 1.825 176.420 174.600 -0.009 0.000 1.039 103 S CA 1.488 59.717 58.200 0.049 0.000 1.033 103 S CB -1.222 62.031 63.200 0.089 0.000 0.887 103 S HN 0.585 nan 8.310 nan 0.000 0.447 104 V N 1.457 121.374 119.914 0.005 0.000 2.332 104 V HA -0.105 4.015 4.120 0.000 0.000 0.248 104 V C 2.380 178.497 176.094 0.039 0.000 1.055 104 V CA 2.091 64.417 62.300 0.043 0.000 1.038 104 V CB -0.593 31.301 31.823 0.118 0.000 0.651 104 V HN 0.568 nan 8.190 nan 0.000 0.450 105 L N 0.216 121.449 121.223 0.018 0.000 2.027 105 L HA -0.081 4.259 4.340 0.000 0.000 0.206 105 L C 2.491 179.293 176.870 -0.114 0.000 1.074 105 L CA 2.095 56.910 54.840 -0.043 0.000 0.745 105 L CB -0.988 41.031 42.059 -0.067 0.000 0.898 105 L HN 0.323 nan 8.230 nan 0.000 0.433 106 E N 0.187 120.350 120.200 -0.063 0.000 2.017 106 E HA -0.206 4.144 4.350 0.000 0.000 0.193 106 E C 1.931 178.474 176.600 -0.093 0.000 0.997 106 E CA 1.685 58.053 56.400 -0.055 0.000 0.804 106 E CB -0.422 29.273 29.700 -0.007 0.000 0.757 106 E HN 0.589 nan 8.360 nan 0.000 0.448 107 D N 0.113 120.458 120.400 -0.092 0.000 2.103 107 D HA -0.079 4.561 4.640 0.000 0.000 0.199 107 D C 1.892 178.106 176.300 -0.144 0.000 0.978 107 D CA 0.967 54.907 54.000 -0.100 0.000 0.829 107 D CB -0.169 40.577 40.800 -0.091 0.000 0.981 107 D HN 0.107 nan 8.370 nan 0.000 0.464 108 R N -0.877 119.498 120.500 -0.208 0.000 2.312 108 R HA 0.206 4.546 4.340 0.000 0.000 0.205 108 R C 1.510 177.509 176.300 -0.502 0.000 0.904 108 R CA 0.022 55.956 56.100 -0.277 0.000 1.052 108 R CB 0.464 30.654 30.300 -0.184 0.000 1.014 108 R HN 0.209 nan 8.270 nan 0.000 0.503 109 C N -0.923 118.055 119.300 -0.536 0.000 2.646 109 C HA 0.277 4.737 4.460 0.000 0.000 0.428 109 C C 1.974 176.796 174.990 -0.280 0.000 1.492 109 C CA -0.201 58.483 59.018 -0.558 0.000 2.538 109 C CB -0.345 26.874 27.740 -0.868 0.000 2.609 109 C HN 0.327 nan 8.230 nan 0.000 0.594 110 L N 1.731 122.832 121.223 -0.204 0.000 2.162 110 L HA 0.099 4.440 4.340 0.000 0.000 0.205 110 L C 1.181 177.988 176.870 -0.105 0.000 1.086 110 L CA 0.801 55.570 54.840 -0.118 0.000 0.778 110 L CB -0.836 41.183 42.059 -0.066 0.000 0.928 110 L HN 0.526 nan 8.230 nan 0.000 0.446 111 N N 0.874 119.512 118.700 -0.104 0.000 2.440 111 N HA -0.023 4.717 4.740 0.000 0.000 0.265 111 N C 0.957 176.412 175.510 -0.093 0.000 1.239 111 N CA 1.061 54.063 53.050 -0.080 0.000 0.909 111 N CB 0.808 39.253 38.487 -0.071 0.000 1.066 111 N HN 0.381 nan 8.380 nan 0.000 0.474 112 G N 3.081 111.834 108.800 -0.078 0.000 2.217 112 G HA2 -0.287 3.673 3.960 0.000 0.000 0.246 112 G HA3 -0.287 3.673 3.960 0.000 0.000 0.246 112 G C 0.754 175.580 174.900 -0.122 0.000 0.990 112 G CA 0.307 45.356 45.100 -0.085 0.000 0.627 112 G HN 0.558 nan 8.290 nan 0.000 0.522 113 L N 1.274 122.404 121.223 -0.155 0.000 2.046 113 L HA 0.198 4.538 4.340 0.000 0.000 0.208 113 L C 2.748 179.469 176.870 -0.247 0.000 1.077 113 L CA 2.991 57.670 54.840 -0.268 0.000 0.747 113 L CB -0.565 41.342 42.059 -0.254 0.000 0.896 113 L HN 0.455 nan 8.230 nan 0.000 0.432 114 R N -0.681 119.770 120.500 -0.081 0.000 2.103 114 R HA -0.230 4.110 4.340 0.000 0.000 0.242 114 R C 1.995 178.305 176.300 0.016 0.000 1.142 114 R CA 1.925 58.038 56.100 0.020 0.000 0.960 114 R CB -0.084 30.237 30.300 0.034 0.000 0.858 114 R HN 0.387 nan 8.270 nan 0.000 0.439 115 E N -0.436 119.747 120.200 -0.027 0.000 2.072 115 E HA -0.085 4.265 4.350 0.000 0.000 0.190 115 E C 1.967 178.552 176.600 -0.025 0.000 0.982 115 E CA 1.917 58.307 56.400 -0.016 0.000 0.803 115 E CB -0.313 29.371 29.700 -0.026 0.000 0.755 115 E HN 0.340 nan 8.360 nan 0.000 0.453 116 T N 0.564 115.063 114.554 -0.093 0.000 2.607 116 T HA -0.209 4.141 4.350 0.000 0.000 0.267 116 T C 1.480 176.177 174.700 -0.006 0.000 1.049 116 T CA 1.661 63.695 62.100 -0.110 0.000 1.162 116 T CB -0.618 68.102 68.868 -0.247 0.000 0.863 116 T HN 0.121 nan 8.240 nan 0.000 0.424 117 Y N 1.063 121.368 120.300 0.008 0.000 2.128 117 Y HA -0.042 4.508 4.550 0.000 0.000 0.284 117 Y C 2.455 178.363 175.900 0.014 0.000 1.154 117 Y CA -0.219 57.890 58.100 0.014 0.000 1.149 117 Y CB -1.119 37.352 38.460 0.017 0.000 0.976 117 Y HN 0.063 nan 8.280 nan 0.000 0.505 118 L N -0.126 121.197 121.223 0.167 0.000 1.990 118 L HA -0.264 4.076 4.340 0.000 0.000 0.213 118 L C 2.456 179.371 176.870 0.075 0.000 1.072 118 L CA 2.282 57.180 54.840 0.097 0.000 0.755 118 L CB -1.625 40.471 42.059 0.062 0.000 0.889 118 L HN 0.260 nan 8.230 nan 0.000 0.432 119 A N -0.968 121.889 122.820 0.062 0.000 1.940 119 A HA -0.194 4.126 4.320 0.000 0.000 0.219 119 A C 2.318 179.934 177.584 0.054 0.000 1.176 119 A CA 1.633 53.697 52.037 0.045 0.000 0.631 119 A CB -0.526 18.491 19.000 0.028 0.000 0.814 119 A HN 0.485 nan 8.150 nan 0.000 0.446 120 L N -2.082 119.191 121.223 0.083 0.000 2.209 120 L HA 0.162 4.502 4.340 0.000 0.000 0.207 120 L C 1.853 178.766 176.870 0.072 0.000 1.094 120 L CA 0.792 55.684 54.840 0.086 0.000 0.790 120 L CB -0.151 41.989 42.059 0.135 0.000 0.932 120 L HN 0.600 nan 8.230 nan 0.000 0.447 121 G N -0.399 108.445 108.800 0.074 0.000 2.144 121 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 121 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 121 G C 0.285 175.204 174.900 0.032 0.000 0.988 121 G CA 0.081 45.211 45.100 0.048 0.000 0.659 121 G HN 0.220 nan 8.290 nan 0.000 0.522 122 T N 3.431 118.008 114.554 0.039 0.000 2.870 122 T HA 0.479 4.829 4.350 0.000 0.000 0.300 122 T C -1.987 172.645 174.700 -0.113 0.000 0.989 122 T CA -0.223 61.835 62.100 -0.070 0.000 1.139 122 T CB 1.687 70.443 68.868 -0.187 0.000 0.920 122 T HN 0.208 nan 8.240 nan 0.000 0.537 123 P HA 0.226 nan 4.420 nan 0.000 0.280 123 P C 1.152 178.364 177.300 -0.146 0.000 1.386 123 P CA -0.319 62.730 63.100 -0.084 0.000 0.899 123 P CB 0.701 32.376 31.700 -0.043 0.000 1.098 124 G N 3.935 112.672 108.800 -0.105 0.000 2.513 124 G HA2 -0.341 3.619 3.960 0.000 0.000 0.219 124 G HA3 -0.341 3.619 3.960 0.000 0.000 0.219 124 G C 1.618 176.504 174.900 -0.025 0.000 1.160 124 G CA 1.277 46.346 45.100 -0.053 0.000 0.767 124 G HN 0.525 nan 8.290 nan 0.000 0.571 125 S N 0.592 116.288 115.700 -0.007 0.000 2.380 125 S HA -0.198 4.272 4.470 0.000 0.000 0.229 125 S C 2.411 177.004 174.600 -0.010 0.000 1.043 125 S CA 2.095 60.296 58.200 0.002 0.000 1.038 125 S CB -0.658 62.544 63.200 0.004 0.000 0.872 125 S HN 0.277 nan 8.310 nan 0.000 0.456 126 S N 1.312 116.995 115.700 -0.029 0.000 2.368 126 S HA -0.004 4.466 4.470 0.000 0.000 0.224 126 S C 2.012 176.587 174.600 -0.041 0.000 1.029 126 S CA 1.172 59.355 58.200 -0.029 0.000 0.988 126 S CB -0.612 62.574 63.200 -0.024 0.000 0.838 126 S HN 0.466 nan 8.310 nan 0.000 0.462 127 V N 2.274 122.144 119.914 -0.073 0.000 2.332 127 V HA -0.224 3.896 4.120 0.000 0.000 0.248 127 V C 2.662 178.762 176.094 0.010 0.000 1.055 127 V CA 1.709 63.980 62.300 -0.049 0.000 1.038 127 V CB -1.322 30.454 31.823 -0.077 0.000 0.651 127 V HN 0.539 nan 8.190 nan 0.000 0.450 128 A N -0.241 122.593 122.820 0.023 0.000 1.978 128 A HA -0.164 4.156 4.320 0.000 0.000 0.220 128 A C 2.388 179.986 177.584 0.023 0.000 1.170 128 A CA 2.114 54.176 52.037 0.042 0.000 0.636 128 A CB -0.645 18.380 19.000 0.042 0.000 0.810 128 A HN 0.366 nan 8.150 nan 0.000 0.448 129 V N -0.340 119.573 119.914 -0.001 0.000 2.358 129 V HA -0.135 3.985 4.120 0.000 0.000 0.246 129 V C 2.797 178.872 176.094 -0.032 0.000 1.047 129 V CA 1.814 64.104 62.300 -0.017 0.000 1.035 129 V CB -1.334 30.474 31.823 -0.024 0.000 0.658 129 V HN 0.604 nan 8.190 nan 0.000 0.452 130 G N -0.090 108.686 108.800 -0.039 0.000 2.421 130 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 130 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 130 G C 1.695 176.589 174.900 -0.010 0.000 1.171 130 G CA 1.223 46.288 45.100 -0.058 0.000 0.775 130 G HN 0.355 nan 8.290 nan 0.000 0.543 131 V N 1.736 121.676 119.914 0.042 0.000 2.287 131 V HA -0.131 3.989 4.120 0.000 0.000 0.248 131 V C 3.175 179.310 176.094 0.069 0.000 1.053 131 V CA 2.122 64.493 62.300 0.117 0.000 1.027 131 V CB -1.172 30.745 31.823 0.156 0.000 0.646 131 V HN 0.452 nan 8.190 nan 0.000 0.447 132 G N -0.290 108.523 108.800 0.023 0.000 2.476 132 G HA2 -0.294 3.666 3.960 0.000 0.000 0.218 132 G HA3 -0.294 3.666 3.960 0.000 0.000 0.218 132 G C 1.665 176.511 174.900 -0.089 0.000 1.164 132 G CA 1.132 46.217 45.100 -0.025 0.000 0.768 132 G HN 0.493 nan 8.290 nan 0.000 0.560 133 K N -0.457 119.897 120.400 -0.077 0.000 2.057 133 K HA 0.091 4.411 4.320 0.000 0.000 0.206 133 K C 2.692 179.213 176.600 -0.132 0.000 1.050 133 K CA 1.072 57.300 56.287 -0.098 0.000 0.935 133 K CB -0.225 32.221 32.500 -0.089 0.000 0.715 133 K HN 0.281 nan 8.250 nan 0.000 0.439 134 M N 0.982 120.514 119.600 -0.114 0.000 2.117 134 M HA -0.196 4.284 4.480 0.000 0.000 0.262 134 M C 2.365 178.415 176.300 -0.416 0.000 1.065 134 M CA 1.465 56.691 55.300 -0.124 0.000 1.114 134 M CB -0.214 32.423 32.600 0.061 0.000 1.361 134 M HN 0.066 nan 8.290 nan 0.000 0.408 135 K N 0.713 120.692 120.400 -0.702 0.000 2.063 135 K HA -0.208 4.112 4.320 0.000 0.000 0.208 135 K C 1.641 177.892 176.600 -0.581 0.000 1.048 135 K CA 1.643 57.188 56.287 -1.236 0.000 0.928 135 K CB -0.101 31.923 32.500 -0.792 0.000 0.713 135 K HN 0.413 nan 8.250 nan 0.000 0.442 136 E N -0.293 119.715 120.200 -0.320 0.000 2.051 136 E HA -0.167 4.183 4.350 0.000 0.000 0.192 136 E C 1.946 178.451 176.600 -0.159 0.000 0.991 136 E CA 1.083 57.369 56.400 -0.190 0.000 0.799 136 E CB -0.096 29.527 29.700 -0.128 0.000 0.748 136 E HN 0.429 nan 8.360 nan 0.000 0.449 137 A N 1.281 124.010 122.820 -0.152 0.000 1.933 137 A HA -0.126 4.194 4.320 0.000 0.000 0.218 137 A C 2.333 179.866 177.584 -0.086 0.000 1.175 137 A CA 1.705 53.683 52.037 -0.098 0.000 0.628 137 A CB -0.583 18.371 19.000 -0.076 0.000 0.814 137 A HN 0.320 nan 8.150 nan 0.000 0.444 138 A N -0.084 122.656 122.820 -0.133 0.000 1.858 138 A HA -0.075 4.245 4.320 0.000 0.000 0.216 138 A C 2.195 179.759 177.584 -0.035 0.000 1.190 138 A CA 1.571 53.574 52.037 -0.057 0.000 0.617 138 A CB -0.706 18.264 19.000 -0.050 0.000 0.827 138 A HN 0.467 nan 8.150 nan 0.000 0.443 139 L N -0.764 120.406 121.223 -0.088 0.000 2.017 139 L HA -0.217 4.123 4.340 0.000 0.000 0.208 139 L C 3.140 179.994 176.870 -0.027 0.000 1.073 139 L CA 1.118 55.934 54.840 -0.041 0.000 0.745 139 L CB -0.665 41.354 42.059 -0.067 0.000 0.894 139 L HN 0.454 nan 8.230 nan 0.000 0.432 140 A N 0.174 122.968 122.820 -0.043 0.000 1.917 140 A HA -0.249 4.071 4.320 0.000 0.000 0.219 140 A C 2.210 179.787 177.584 -0.012 0.000 1.182 140 A CA 1.960 53.981 52.037 -0.027 0.000 0.633 140 A CB -0.746 18.233 19.000 -0.034 0.000 0.819 140 A HN 0.390 nan 8.150 nan 0.000 0.448 141 I N -0.912 119.654 120.570 -0.008 0.000 2.353 141 I HA -0.165 4.005 4.170 0.000 0.000 0.248 141 I C 2.318 178.446 176.117 0.018 0.000 1.119 141 I CA 0.739 62.043 61.300 0.007 0.000 1.417 141 I CB -0.048 37.960 38.000 0.013 0.000 1.078 141 I HN 0.168 nan 8.210 nan 0.000 0.421 142 V N 0.964 120.893 119.914 0.025 0.000 2.295 142 V HA -0.272 3.848 4.120 0.000 0.000 0.246 142 V C 1.785 177.892 176.094 0.023 0.000 1.049 142 V CA 1.828 64.149 62.300 0.035 0.000 1.024 142 V CB -0.719 31.134 31.823 0.050 0.000 0.648 142 V HN 0.472 nan 8.190 nan 0.000 0.447 143 N N 0.006 118.713 118.700 0.013 0.000 2.521 143 N HA -0.042 4.698 4.740 0.000 0.000 0.188 143 N C 0.551 176.064 175.510 0.005 0.000 1.146 143 N CA 0.220 53.275 53.050 0.007 0.000 0.893 143 N CB -0.328 38.159 38.487 0.000 0.000 0.975 143 N HN 0.465 nan 8.380 nan 0.000 0.451 144 D N 1.665 122.069 120.400 0.006 0.000 2.412 144 D HA 0.023 4.663 4.640 0.000 0.000 0.257 144 D C -1.426 174.878 176.300 0.007 0.000 1.217 144 D CA -1.442 52.561 54.000 0.005 0.000 0.897 144 D CB 1.370 42.173 40.800 0.006 0.000 1.132 144 D HN 0.084 nan 8.370 nan 0.000 0.493 145 P HA 0.071 nan 4.420 nan 0.000 0.225 145 P C -0.210 177.094 177.300 0.006 0.000 1.156 145 P CA 0.193 63.297 63.100 0.006 0.000 0.787 145 P CB 0.145 31.847 31.700 0.003 0.000 0.802 146 A N 0.322 123.145 122.820 0.006 0.000 2.498 146 A HA 0.447 4.767 4.320 0.000 0.000 0.239 146 A C 1.443 179.032 177.584 0.008 0.000 1.068 146 A CA 0.539 52.580 52.037 0.006 0.000 0.766 146 A CB -1.139 17.865 19.000 0.005 0.000 1.003 146 A HN 0.357 nan 8.150 nan 0.000 0.497 147 G N 0.434 109.240 108.800 0.008 0.000 2.160 147 G HA2 -0.175 3.785 3.960 0.000 0.000 0.244 147 G HA3 -0.175 3.785 3.960 0.000 0.000 0.244 147 G C -0.109 174.798 174.900 0.012 0.000 1.022 147 G CA 0.592 45.698 45.100 0.010 0.000 0.741 147 G HN 1.325 nan 8.290 nan 0.000 0.508 148 I N -0.808 119.769 120.570 0.011 0.000 3.004 148 I HA 0.446 4.616 4.170 0.000 0.000 0.305 148 I C 0.043 176.167 176.117 0.011 0.000 1.312 148 I CA -0.834 60.474 61.300 0.013 0.000 0.992 148 I CB 1.815 39.825 38.000 0.015 0.000 1.282 148 I HN 0.005 nan 8.210 nan 0.000 0.449 149 T N 5.787 120.348 114.554 0.012 0.000 2.834 149 T HA 0.275 4.625 4.350 0.000 0.000 0.298 149 T C -2.399 172.307 174.700 0.009 0.000 0.966 149 T CA -0.486 61.620 62.100 0.010 0.000 1.141 149 T CB 0.179 69.053 68.868 0.010 0.000 0.905 149 T HN 0.259 nan 8.240 nan 0.000 0.535 150 P HA 0.530 nan 4.420 nan 0.000 0.271 150 P C 0.135 177.439 177.300 0.006 0.000 1.216 150 P CA -0.123 62.981 63.100 0.007 0.000 0.776 150 P CB 0.839 32.541 31.700 0.005 0.000 0.881 151 G N 0.729 109.533 108.800 0.006 0.000 2.554 151 G HA2 0.404 4.364 3.960 0.000 0.000 0.306 151 G HA3 0.404 4.364 3.960 0.000 0.000 0.306 151 G C -1.961 172.941 174.900 0.004 0.000 1.320 151 G CA -0.525 44.578 45.100 0.005 0.000 0.800 151 G HN 0.456 nan 8.290 nan 0.000 0.481 152 D N -1.087 119.315 120.400 0.003 0.000 2.317 152 D HA 0.475 5.115 4.640 0.000 0.000 0.234 152 D C 0.479 176.781 176.300 0.003 0.000 1.112 152 D CA -0.355 53.646 54.000 0.002 0.000 0.840 152 D CB 1.030 41.830 40.800 -0.000 0.000 1.078 152 D HN 0.310 nan 8.370 nan 0.000 0.486 153 C N 2.936 122.238 119.300 0.005 0.000 2.778 153 C HA 0.123 4.583 4.460 0.000 0.000 0.294 153 C C 2.211 177.203 174.990 0.004 0.000 1.331 153 C CA 0.232 59.254 59.018 0.008 0.000 1.741 153 C CB -1.658 26.090 27.740 0.013 0.000 2.106 153 C HN 0.780 nan 8.230 nan 0.000 0.603 154 S N 1.624 117.323 115.700 -0.000 0.000 2.383 154 S HA -0.092 4.378 4.470 0.000 0.000 0.227 154 S C 2.016 176.610 174.600 -0.009 0.000 1.026 154 S CA 1.388 59.585 58.200 -0.004 0.000 0.981 154 S CB -0.298 62.898 63.200 -0.006 0.000 0.818 154 S HN 0.587 nan 8.310 nan 0.000 0.472 155 A N 1.598 124.411 122.820 -0.011 0.000 1.933 155 A HA 0.109 4.429 4.320 0.000 0.000 0.218 155 A C 2.227 179.797 177.584 -0.022 0.000 1.175 155 A CA 1.475 53.501 52.037 -0.019 0.000 0.628 155 A CB -0.866 18.123 19.000 -0.019 0.000 0.814 155 A HN 0.503 nan 8.150 nan 0.000 0.444 156 L N -0.220 120.997 121.223 -0.009 0.000 2.017 156 L HA -0.057 4.283 4.340 0.000 0.000 0.208 156 L C 2.810 179.684 176.870 0.006 0.000 1.073 156 L CA 2.042 56.883 54.840 0.001 0.000 0.745 156 L CB -1.023 41.047 42.059 0.019 0.000 0.894 156 L HN 0.371 nan 8.230 nan 0.000 0.432 157 A N -1.747 121.079 122.820 0.011 0.000 1.917 157 A HA -0.301 4.019 4.320 0.000 0.000 0.219 157 A C 2.555 180.138 177.584 -0.001 0.000 1.182 157 A CA 2.278 54.325 52.037 0.016 0.000 0.633 157 A CB -1.227 17.777 19.000 0.007 0.000 0.819 157 A HN 0.508 nan 8.150 nan 0.000 0.448 158 S N -0.986 114.701 115.700 -0.022 0.000 2.359 158 S HA -0.232 4.238 4.470 0.000 0.000 0.224 158 S C 2.075 176.623 174.600 -0.088 0.000 1.035 158 S CA 1.778 59.953 58.200 -0.041 0.000 1.018 158 S CB -0.342 62.834 63.200 -0.040 0.000 0.876 158 S HN 0.704 nan 8.310 nan 0.000 0.448 159 E N 0.148 120.275 120.200 -0.122 0.000 2.051 159 E HA -0.144 4.206 4.350 0.000 0.000 0.192 159 E C 2.049 178.411 176.600 -0.396 0.000 0.991 159 E CA 1.501 57.733 56.400 -0.279 0.000 0.799 159 E CB -0.263 29.310 29.700 -0.211 0.000 0.748 159 E HN 0.614 nan 8.360 nan 0.000 0.449 160 I N 1.089 121.590 120.570 -0.115 0.000 2.163 160 I HA -0.296 3.874 4.170 0.000 0.000 0.243 160 I C 2.635 178.880 176.117 0.213 0.000 1.085 160 I CA 1.111 62.467 61.300 0.093 0.000 1.347 160 I CB -0.399 37.725 38.000 0.206 0.000 1.044 160 I HN 0.203 nan 8.210 nan 0.000 0.408 161 A N 0.493 123.396 122.820 0.139 0.000 1.917 161 A HA -0.315 4.005 4.320 0.000 0.000 0.219 161 A C 2.635 180.281 177.584 0.104 0.000 1.182 161 A CA 2.639 54.766 52.037 0.149 0.000 0.633 161 A CB -1.323 17.702 19.000 0.041 0.000 0.819 161 A HN 0.515 nan 8.150 nan 0.000 0.448 162 S N -1.009 114.656 115.700 -0.059 0.000 2.365 162 S HA -0.225 4.245 4.470 0.000 0.000 0.225 162 S C 1.920 176.515 174.600 -0.008 0.000 1.039 162 S CA 1.936 60.074 58.200 -0.104 0.000 1.033 162 S CB -0.733 nan 63.200 nan 0.000 0.887 162 S HN 0.561 nan 8.310 nan 0.000 0.447 163 Y N 0.274 120.609 120.300 0.059 0.000 2.145 163 Y HA -0.009 4.541 4.550 0.000 0.000 0.286 163 Y C 2.206 178.080 175.900 -0.042 0.000 1.145 163 Y CA 0.396 58.484 58.100 -0.021 0.000 1.148 163 Y CB -1.297 37.105 38.460 -0.097 0.000 0.981 163 Y HN 0.335 nan 8.280 nan 0.000 0.507 164 F N 0.692 120.749 119.950 0.178 0.000 2.091 164 F HA -0.264 4.263 4.527 0.000 0.000 0.299 164 F C 2.172 178.018 175.800 0.076 0.000 1.103 164 F CA 1.882 59.944 58.000 0.104 0.000 1.228 164 F CB -0.638 38.401 39.000 0.066 0.000 0.984 164 F HN 0.056 nan 8.300 nan 0.000 0.477 165 D N -0.393 120.149 120.400 0.236 0.000 2.144 165 D HA -0.138 4.502 4.640 0.000 0.000 0.199 165 D C 2.370 178.738 176.300 0.113 0.000 0.984 165 D CA 1.008 55.092 54.000 0.141 0.000 0.834 165 D CB -0.347 40.509 40.800 0.092 0.000 0.955 165 D HN 0.221 nan 8.370 nan 0.000 0.465 166 R N 0.490 121.061 120.500 0.117 0.000 2.081 166 R HA -0.056 4.284 4.340 0.000 0.000 0.235 166 R C 2.276 178.624 176.300 0.081 0.000 1.131 166 R CA 1.353 57.511 56.100 0.096 0.000 0.960 166 R CB -0.193 30.177 30.300 0.117 0.000 0.856 166 R HN 0.103 nan 8.270 nan 0.000 0.436 167 A N 0.801 123.674 122.820 0.089 0.000 1.855 167 A HA -0.201 4.119 4.320 0.000 0.000 0.215 167 A C 2.710 180.350 177.584 0.093 0.000 1.191 167 A CA 1.757 53.840 52.037 0.075 0.000 0.613 167 A CB -1.417 17.625 19.000 0.070 0.000 0.829 167 A HN 0.697 nan 8.150 nan 0.000 0.442 168 C N -0.336 119.031 119.300 0.111 0.000 2.398 168 C HA 0.157 4.617 4.460 0.000 0.000 0.276 168 C C 3.051 178.087 174.990 0.077 0.000 1.222 168 C CA 2.572 61.648 59.018 0.096 0.000 1.746 168 C CB -1.394 26.402 27.740 0.094 0.000 2.039 168 C HN 0.706 nan 8.230 nan 0.000 0.470 169 A N 0.289 123.151 122.820 0.070 0.000 1.940 169 A HA 0.212 4.532 4.320 0.000 0.000 0.219 169 A C 2.551 180.167 177.584 0.054 0.000 1.176 169 A CA 2.470 54.540 52.037 0.056 0.000 0.631 169 A CB -0.944 18.087 19.000 0.051 0.000 0.814 169 A HN 1.459 nan 8.150 nan 0.000 0.446 170 A N -0.566 122.288 122.820 0.056 0.000 2.209 170 A HA 0.206 4.526 4.320 0.000 0.000 0.212 170 A C 1.791 179.412 177.584 0.061 0.000 1.158 170 A CA 1.678 53.741 52.037 0.044 0.000 0.742 170 A CB -0.567 18.448 19.000 0.026 0.000 0.790 170 A HN 1.220 nan 8.150 nan 0.000 0.472 171 V N -5.220 114.749 119.914 0.093 0.000 3.548 171 V HA 0.263 4.383 4.120 0.000 0.000 0.279 171 V C 0.888 177.048 176.094 0.109 0.000 1.446 171 V CA 0.306 62.693 62.300 0.145 0.000 1.023 171 V CB -0.392 31.570 31.823 0.232 0.000 0.820 171 V HN 0.153 nan 8.190 nan 0.000 0.438 172 S N 0.000 115.745 115.700 0.075 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.232 58.200 0.053 0.000 1.107 172 S CB 0.000 63.226 63.200 0.044 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517