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 3bp9_1_O DATA FIRST_RESID 1 DATA SEQUENCE PLRLXXXXXL QYWPFSSSDL YNWKNNNPSF SEDPGKLTAL IESVLTTHQP DATA SEQUENCE TWDDCQQLLG TLLTGEEKQR VLLEARKAVX XXXXXXXQLP NEVDAAFPLE DATA SEQUENCE RPDWDYTTTE GRNHLVLYRQ LLLAGLQNAG R 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 176.659 177.300 -1.068 0.000 1.155 1 P CA 0.000 62.241 63.100 -1.431 0.000 0.800 1 P CB 0.000 30.439 31.700 -2.102 0.000 0.726 2 L N 0.987 121.901 121.223 -0.515 0.000 2.370 2 L HA 0.838 5.178 4.340 -0.000 0.000 0.266 2 L C 0.056 176.994 176.870 0.113 0.000 1.002 2 L CA -0.786 53.977 54.840 -0.128 0.000 0.818 2 L CB 2.294 44.253 42.059 -0.167 0.000 1.325 2 L HN 0.465 nan 8.230 nan 0.000 0.418 3 R N 1.370 122.002 120.500 0.220 0.000 2.707 3 R HA 0.879 5.218 4.340 -0.000 0.000 0.272 3 R C -0.937 175.421 176.300 0.098 0.000 1.011 3 R CA -0.895 55.305 56.100 0.166 0.000 0.893 3 R CB 1.294 31.697 30.300 0.172 0.000 1.233 3 R HN 0.402 nan 8.270 nan 0.000 0.464 11 Q N 0.605 120.519 119.800 0.190 0.000 2.347 11 Q HA 0.469 4.808 4.340 -0.000 0.000 0.271 11 Q C -1.995 174.152 176.000 0.245 0.000 1.064 11 Q CA -0.734 55.204 55.803 0.224 0.000 0.800 11 Q CB 2.616 31.451 28.738 0.161 0.000 1.304 11 Q HN 0.623 nan 8.270 nan 0.000 0.438 12 Y N 3.739 124.121 120.300 0.138 0.000 2.320 12 Y HA 0.513 5.063 4.550 -0.000 0.000 0.334 12 Y C -1.415 174.635 175.900 0.250 0.000 1.055 12 Y CA -0.443 57.687 58.100 0.051 0.000 1.143 12 Y CB 0.747 39.180 38.460 -0.045 0.000 1.193 12 Y HN 0.659 nan 8.280 nan 0.000 0.477 13 W N 7.033 127.838 121.300 -0.825 0.000 3.032 13 W HA 0.749 5.409 4.660 -0.000 0.000 0.335 13 W C -3.299 172.667 176.519 -0.921 0.000 1.154 13 W CA -2.929 54.039 57.345 -0.628 0.000 1.204 13 W CB 0.778 30.069 29.460 -0.282 0.000 1.416 13 W HN 0.382 nan 8.180 nan 0.000 0.521 14 P HA 0.061 nan 4.420 nan 0.000 0.268 14 P C -0.449 176.654 177.300 -0.329 0.000 1.205 14 P CA 0.326 63.244 63.100 -0.304 0.000 0.771 14 P CB 0.343 32.069 31.700 0.045 0.000 0.858 15 F N 1.034 120.801 119.950 -0.305 0.000 2.623 15 F HA -0.080 4.447 4.527 -0.000 0.000 0.386 15 F C 1.492 177.231 175.800 -0.101 0.000 1.068 15 F CA 0.323 58.214 58.000 -0.183 0.000 1.265 15 F CB 0.141 39.053 39.000 -0.147 0.000 1.026 15 F HN 0.296 nan 8.300 nan 0.000 0.568 16 S N 1.222 117.022 115.700 0.166 0.000 2.584 16 S HA 0.150 4.620 4.470 -0.000 0.000 0.273 16 S C 0.968 175.498 174.600 -0.117 0.000 1.311 16 S CA -0.397 57.826 58.200 0.039 0.000 1.034 16 S CB 1.588 64.812 63.200 0.040 0.000 0.939 16 S HN 0.726 nan 8.310 nan 0.000 0.513 17 S N 2.481 118.096 115.700 -0.141 0.000 2.368 17 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 17 S C 1.875 176.278 174.600 -0.330 0.000 1.029 17 S CA 1.054 59.070 58.200 -0.307 0.000 0.988 17 S CB -1.314 61.801 63.200 -0.141 0.000 0.838 17 S HN 0.703 nan 8.310 nan 0.000 0.462 18 S N 2.769 118.370 115.700 -0.164 0.000 2.390 18 S HA -0.227 4.243 4.470 -0.000 0.000 0.234 18 S C 1.578 175.980 174.600 -0.329 0.000 1.063 18 S CA 1.826 59.936 58.200 -0.151 0.000 1.108 18 S CB -0.894 62.242 63.200 -0.108 0.000 0.975 18 S HN 0.566 nan 8.310 nan 0.000 0.442 19 D N 1.065 121.164 120.400 -0.501 0.000 2.178 19 D HA 0.004 4.644 4.640 -0.000 0.000 0.201 19 D C 1.926 177.385 176.300 -1.403 0.000 0.980 19 D CA 0.698 54.078 54.000 -1.035 0.000 0.842 19 D CB -0.258 39.907 40.800 -1.058 0.000 0.948 19 D HN 0.335 nan 8.370 nan 0.000 0.472 20 L N -0.562 120.132 121.223 -0.883 0.000 2.044 20 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 20 L C 2.410 179.082 176.870 -0.331 0.000 1.075 20 L CA 0.974 55.459 54.840 -0.593 0.000 0.747 20 L CB -0.496 41.150 42.059 -0.688 0.000 0.903 20 L HN 0.089 nan 8.230 nan 0.000 0.435 21 Y N -0.423 119.762 120.300 -0.191 0.000 2.314 21 Y HA -0.128 4.422 4.550 -0.000 0.000 0.293 21 Y C 2.489 178.331 175.900 -0.096 0.000 1.129 21 Y CA 0.203 58.241 58.100 -0.103 0.000 1.201 21 Y CB -0.169 38.241 38.460 -0.083 0.000 0.999 21 Y HN 0.250 nan 8.280 nan 0.000 0.541 22 N N -0.363 118.293 118.700 -0.074 0.000 2.084 22 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 22 N C 1.432 176.964 175.510 0.036 0.000 1.030 22 N CA 1.324 54.331 53.050 -0.072 0.000 0.849 22 N CB -0.650 37.723 38.487 -0.191 0.000 1.012 22 N HN 0.359 nan 8.380 nan 0.000 0.423 23 W N 1.978 123.266 121.300 -0.021 0.000 2.321 23 W HA -0.078 4.582 4.660 -0.000 0.000 0.306 23 W C 2.250 178.764 176.519 -0.007 0.000 1.217 23 W CA 0.693 58.018 57.345 -0.034 0.000 1.257 23 W CB -0.937 28.465 29.460 -0.097 0.000 1.145 23 W HN 0.214 nan 8.180 nan 0.000 0.509 24 K N 0.206 120.738 120.400 0.221 0.000 2.001 24 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 24 K C 1.519 178.188 176.600 0.115 0.000 1.048 24 K CA 1.457 57.838 56.287 0.156 0.000 0.932 24 K CB -0.354 32.247 32.500 0.168 0.000 0.715 24 K HN -0.052 nan 8.250 nan 0.000 0.437 25 N N 1.234 119.996 118.700 0.103 0.000 2.573 25 N HA -0.079 4.661 4.740 -0.000 0.000 0.187 25 N C 0.440 175.988 175.510 0.063 0.000 1.107 25 N CA 0.700 53.790 53.050 0.067 0.000 0.918 25 N CB -0.002 38.514 38.487 0.049 0.000 0.966 25 N HN 0.287 nan 8.380 nan 0.000 0.448 26 N N 0.192 118.944 118.700 0.086 0.000 2.177 26 N HA 0.117 4.857 4.740 -0.000 0.000 0.218 26 N C -0.638 174.917 175.510 0.076 0.000 1.182 26 N CA -0.015 53.082 53.050 0.078 0.000 0.882 26 N CB 0.793 39.335 38.487 0.092 0.000 1.052 26 N HN 0.168 nan 8.380 nan 0.000 0.519 27 N N 0.863 119.610 118.700 0.077 0.000 2.357 27 N HA 0.401 5.141 4.740 -0.000 0.000 0.284 27 N C -2.677 172.864 175.510 0.051 0.000 1.236 27 N CA -0.950 52.137 53.050 0.060 0.000 0.774 27 N CB 2.325 40.852 38.487 0.067 0.000 1.534 27 N HN -0.184 nan 8.380 nan 0.000 0.478 28 P HA -0.017 nan 4.420 nan 0.000 0.276 28 P C 0.036 177.366 177.300 0.050 0.000 1.264 28 P CA -0.054 63.065 63.100 0.030 0.000 0.815 28 P CB 0.261 31.965 31.700 0.007 0.000 1.121 29 S N -1.009 114.721 115.700 0.049 0.000 2.624 29 S HA 0.165 4.635 4.470 -0.000 0.000 0.263 29 S C 0.882 175.544 174.600 0.103 0.000 1.287 29 S CA -0.404 57.846 58.200 0.082 0.000 0.990 29 S CB -0.109 63.132 63.200 0.069 0.000 0.950 29 S HN 0.340 nan 8.310 nan 0.000 0.561 30 F N 2.085 122.033 119.950 -0.004 0.000 2.134 30 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 30 F C 2.610 178.406 175.800 -0.007 0.000 1.097 30 F CA 1.941 59.936 58.000 -0.009 0.000 1.264 30 F CB -0.957 38.037 39.000 -0.011 0.000 1.001 30 F HN 0.776 nan 8.300 nan 0.000 0.479 31 S N 0.135 115.887 115.700 0.086 0.000 2.398 31 S HA -0.324 4.145 4.470 -0.000 0.000 0.220 31 S C 1.866 176.416 174.600 -0.084 0.000 1.038 31 S CA 1.557 59.755 58.200 -0.004 0.000 1.080 31 S CB -1.236 61.990 63.200 0.044 0.000 1.039 31 S HN 0.538 nan 8.310 nan 0.000 0.419 32 E N 1.395 121.569 120.200 -0.044 0.000 2.169 32 E HA -0.165 4.185 4.350 -0.000 0.000 0.202 32 E C 0.070 176.618 176.600 -0.086 0.000 1.016 32 E CA 1.471 57.841 56.400 -0.051 0.000 0.817 32 E CB -0.042 29.644 29.700 -0.023 0.000 0.736 32 E HN 0.543 nan 8.360 nan 0.000 0.462 33 D N -2.520 117.800 120.400 -0.133 0.000 2.491 33 D HA 0.036 4.676 4.640 -0.000 0.000 0.232 33 D C -2.287 173.864 176.300 -0.250 0.000 1.334 33 D CA -1.165 52.743 54.000 -0.153 0.000 0.909 33 D CB 0.862 41.613 40.800 -0.082 0.000 1.513 33 D HN -0.199 nan 8.370 nan 0.000 0.514 34 P HA 0.029 nan 4.420 nan 0.000 0.218 34 P C 1.566 178.663 177.300 -0.338 0.000 1.152 34 P CA 0.788 63.380 63.100 -0.846 0.000 0.826 34 P CB 0.271 31.119 31.700 -1.420 0.000 0.790 35 G N 1.247 109.925 108.800 -0.203 0.000 2.547 35 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.221 35 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.221 35 G C 1.714 176.594 174.900 -0.033 0.000 1.140 35 G CA 0.953 46.007 45.100 -0.077 0.000 0.760 35 G HN 0.183 nan 8.290 nan 0.000 0.583 36 K N 0.146 120.521 120.400 -0.042 0.000 1.971 36 K HA 0.018 4.338 4.320 -0.000 0.000 0.221 36 K C 2.417 179.026 176.600 0.015 0.000 1.050 36 K CA 0.817 57.097 56.287 -0.012 0.000 0.967 36 K CB -1.128 31.364 32.500 -0.012 0.000 0.733 36 K HN 0.318 nan 8.250 nan 0.000 0.445 37 L N 1.709 122.964 121.223 0.053 0.000 2.633 37 L HA -0.120 4.220 4.340 -0.000 0.000 0.235 37 L C 1.755 178.705 176.870 0.132 0.000 1.163 37 L CA 0.745 55.647 54.840 0.103 0.000 0.859 37 L CB -0.294 41.875 42.059 0.184 0.000 0.973 37 L HN 0.335 nan 8.230 nan 0.000 0.451 38 T N -1.099 113.544 114.554 0.148 0.000 2.901 38 T HA 0.018 4.368 4.350 -0.000 0.000 0.252 38 T C 1.955 176.675 174.700 0.034 0.000 1.035 38 T CA 0.863 63.047 62.100 0.140 0.000 1.142 38 T CB 0.025 68.999 68.868 0.177 0.000 0.869 38 T HN 0.406 nan 8.240 nan 0.000 0.442 39 A N 1.121 123.949 122.820 0.013 0.000 2.015 39 A HA 0.131 4.451 4.320 -0.000 0.000 0.219 39 A C 2.224 179.778 177.584 -0.050 0.000 1.163 39 A CA 0.941 52.971 52.037 -0.013 0.000 0.646 39 A CB -0.686 18.309 19.000 -0.008 0.000 0.806 39 A HN 0.464 nan 8.150 nan 0.000 0.448 40 L N -0.755 120.420 121.223 -0.080 0.000 2.068 40 L HA 0.012 4.351 4.340 -0.000 0.000 0.204 40 L C 2.262 178.969 176.870 -0.271 0.000 1.076 40 L CA 1.256 55.988 54.840 -0.180 0.000 0.753 40 L CB -0.187 41.752 42.059 -0.201 0.000 0.910 40 L HN 0.373 nan 8.230 nan 0.000 0.439 41 I N -0.025 120.422 120.570 -0.205 0.000 2.202 41 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 41 I C 2.493 178.525 176.117 -0.141 0.000 1.091 41 I CA 1.586 62.756 61.300 -0.216 0.000 1.368 41 I CB -0.402 37.516 38.000 -0.137 0.000 1.058 41 I HN 0.427 nan 8.210 nan 0.000 0.410 42 E N 0.782 120.936 120.200 -0.077 0.000 2.086 42 E HA -0.331 4.019 4.350 -0.000 0.000 0.205 42 E C 2.247 178.824 176.600 -0.039 0.000 1.027 42 E CA 2.262 58.640 56.400 -0.037 0.000 0.830 42 E CB -0.138 29.553 29.700 -0.015 0.000 0.751 42 E HN 0.284 nan 8.360 nan 0.000 0.456 43 S N -1.015 114.651 115.700 -0.057 0.000 2.402 43 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 43 S C 1.922 176.520 174.600 -0.002 0.000 1.021 43 S CA 1.010 59.194 58.200 -0.027 0.000 0.974 43 S CB -0.103 63.079 63.200 -0.030 0.000 0.800 43 S HN 0.271 nan 8.310 nan 0.000 0.484 44 V N 2.440 122.295 119.914 -0.099 0.000 2.407 44 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 44 V C 2.333 178.467 176.094 0.067 0.000 1.055 44 V CA 1.352 63.612 62.300 -0.066 0.000 1.049 44 V CB -0.622 30.908 31.823 -0.489 0.000 0.662 44 V HN 0.489 nan 8.190 nan 0.000 0.455 45 L N 0.613 121.840 121.223 0.006 0.000 2.079 45 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 45 L C 2.667 179.574 176.870 0.061 0.000 1.081 45 L CA 2.484 57.349 54.840 0.042 0.000 0.752 45 L CB -1.444 40.633 42.059 0.029 0.000 0.896 45 L HN 0.629 nan 8.230 nan 0.000 0.433 46 T N -3.986 110.603 114.554 0.058 0.000 2.781 46 T HA -0.125 4.225 4.350 -0.000 0.000 0.252 46 T C 1.882 176.620 174.700 0.064 0.000 1.039 46 T CA 1.288 63.419 62.100 0.052 0.000 1.147 46 T CB -0.951 67.939 68.868 0.037 0.000 0.865 46 T HN 0.384 nan 8.240 nan 0.000 0.423 47 T N 0.118 114.729 114.554 0.095 0.000 2.803 47 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 47 T C 1.500 176.156 174.700 -0.073 0.000 1.052 47 T CA 1.604 63.726 62.100 0.038 0.000 1.136 47 T CB -0.633 68.269 68.868 0.056 0.000 0.864 47 T HN 0.618 nan 8.240 nan 0.000 0.467 48 H N 0.829 119.918 119.070 0.033 0.000 2.755 48 H HA 0.387 4.943 4.556 -0.000 0.000 0.273 48 H C 0.295 175.519 175.328 -0.174 0.000 1.055 48 H CA -0.454 55.557 56.048 -0.063 0.000 1.191 48 H CB -0.024 29.709 29.762 -0.048 0.000 1.536 48 H HN 0.419 nan 8.280 nan 0.000 0.529 49 Q N 1.315 121.127 119.800 0.020 0.000 2.413 49 Q HA -0.145 4.195 4.340 -0.000 0.000 0.364 49 Q C -2.348 173.599 176.000 -0.089 0.000 1.359 49 Q CA -0.153 55.637 55.803 -0.022 0.000 1.097 49 Q CB -1.119 27.604 28.738 -0.025 0.000 1.286 49 Q HN 0.417 nan 8.270 nan 0.000 0.358 50 P HA -0.056 nan 4.420 nan 0.000 0.269 50 P C 0.621 177.897 177.300 -0.040 0.000 1.209 50 P CA 0.211 63.238 63.100 -0.122 0.000 0.776 50 P CB 0.779 32.473 31.700 -0.010 0.000 0.876 51 T N -0.587 113.955 114.554 -0.019 0.000 2.732 51 T HA -0.065 4.285 4.350 -0.000 0.000 0.365 51 T C 0.963 175.706 174.700 0.072 0.000 1.077 51 T CA -0.119 62.019 62.100 0.063 0.000 1.044 51 T CB -0.186 68.721 68.868 0.065 0.000 1.220 51 T HN 0.546 nan 8.240 nan 0.000 0.517 52 W N 0.805 122.027 121.300 -0.131 0.000 2.407 52 W HA 0.020 4.680 4.660 -0.000 0.000 0.305 52 W C 1.724 178.133 176.519 -0.183 0.000 1.196 52 W CA 1.605 58.755 57.345 -0.324 0.000 1.311 52 W CB -0.562 28.590 29.460 -0.513 0.000 1.135 52 W HN 0.852 nan 8.180 nan 0.000 0.514 53 D N 0.657 121.170 120.400 0.188 0.000 2.092 53 D HA -0.270 4.370 4.640 -0.000 0.000 0.193 53 D C 1.633 177.888 176.300 -0.075 0.000 0.994 53 D CA 2.091 56.116 54.000 0.042 0.000 0.828 53 D CB -0.745 40.156 40.800 0.168 0.000 0.963 53 D HN 0.052 nan 8.370 nan 0.000 0.450 54 D N 0.117 120.539 120.400 0.036 0.000 2.157 54 D HA -0.190 4.450 4.640 -0.000 0.000 0.191 54 D C 2.125 178.511 176.300 0.143 0.000 1.004 54 D CA 0.916 54.995 54.000 0.131 0.000 0.854 54 D CB -0.733 40.054 40.800 -0.023 0.000 0.936 54 D HN 0.308 nan 8.370 nan 0.000 0.446 55 C N 0.798 120.070 119.300 -0.048 0.000 2.413 55 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 55 C C 2.615 177.489 174.990 -0.194 0.000 1.265 55 C CA 0.327 59.287 59.018 -0.096 0.000 1.752 55 C CB -0.751 26.909 27.740 -0.134 0.000 1.998 55 C HN 0.367 nan 8.230 nan 0.000 0.489 56 Q N 0.892 120.462 119.800 -0.382 0.000 2.096 56 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 56 Q C 2.106 178.008 176.000 -0.163 0.000 0.982 56 Q CA 1.625 57.222 55.803 -0.344 0.000 0.850 56 Q CB -0.663 27.792 28.738 -0.471 0.000 0.901 56 Q HN 0.750 nan 8.270 nan 0.000 0.422 57 Q N 0.052 119.795 119.800 -0.096 0.000 2.079 57 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 57 Q C 2.364 178.280 176.000 -0.139 0.000 0.974 57 Q CA 0.726 56.485 55.803 -0.072 0.000 0.840 57 Q CB -0.127 28.613 28.738 0.003 0.000 0.898 57 Q HN 0.312 nan 8.270 nan 0.000 0.430 58 L N 0.495 121.628 121.223 -0.151 0.000 2.012 58 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 58 L C 2.322 179.115 176.870 -0.128 0.000 1.073 58 L CA 1.159 55.886 54.840 -0.189 0.000 0.748 58 L CB -0.358 41.607 42.059 -0.156 0.000 0.891 58 L HN 0.297 nan 8.230 nan 0.000 0.431 59 L N -1.125 120.032 121.223 -0.110 0.000 2.056 59 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 59 L C 2.699 179.523 176.870 -0.076 0.000 1.078 59 L CA 1.286 56.067 54.840 -0.099 0.000 0.749 59 L CB -1.395 40.608 42.059 -0.092 0.000 0.901 59 L HN 0.322 nan 8.230 nan 0.000 0.433 60 G N -0.177 108.580 108.800 -0.071 0.000 2.476 60 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 60 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 60 G C 1.558 176.451 174.900 -0.013 0.000 1.164 60 G CA 1.642 46.719 45.100 -0.039 0.000 0.768 60 G HN 0.332 nan 8.290 nan 0.000 0.560 61 T N 0.393 114.933 114.554 -0.022 0.000 3.044 61 T HA 0.221 4.571 4.350 -0.000 0.000 0.255 61 T C 2.053 176.782 174.700 0.048 0.000 1.073 61 T CA 0.315 62.434 62.100 0.032 0.000 1.125 61 T CB 0.117 68.970 68.868 -0.026 0.000 0.908 61 T HN 0.154 nan 8.240 nan 0.000 0.480 62 L N -0.142 121.086 121.223 0.008 0.000 2.664 62 L HA 0.440 4.780 4.340 -0.000 0.000 0.233 62 L C -0.473 176.410 176.870 0.021 0.000 1.113 62 L CA -0.039 54.816 54.840 0.025 0.000 0.896 62 L CB 0.548 42.606 42.059 -0.001 0.000 1.163 62 L HN 0.130 nan 8.230 nan 0.000 0.497 63 L N 0.556 121.775 121.223 -0.007 0.000 2.438 63 L HA 0.362 4.702 4.340 -0.000 0.000 0.270 63 L C 0.325 177.190 176.870 -0.009 0.000 0.972 63 L CA -0.301 54.522 54.840 -0.028 0.000 0.831 63 L CB 1.905 43.897 42.059 -0.112 0.000 1.273 63 L HN 0.023 nan 8.230 nan 0.000 0.405 64 T N 0.736 115.298 114.554 0.013 0.000 2.918 64 T HA 0.338 4.688 4.350 -0.000 0.000 0.302 64 T C 1.425 176.125 174.700 0.001 0.000 1.045 64 T CA 0.050 62.160 62.100 0.016 0.000 1.114 64 T CB 1.126 70.013 68.868 0.031 0.000 0.965 64 T HN 0.784 nan 8.240 nan 0.000 0.540 65 G N 2.199 111.001 108.800 0.003 0.000 2.649 65 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.220 65 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.220 65 G C 1.176 176.073 174.900 -0.004 0.000 1.189 65 G CA 1.379 46.478 45.100 -0.001 0.000 0.777 65 G HN 0.868 nan 8.290 nan 0.000 0.602 66 E N 0.730 120.933 120.200 0.005 0.000 2.077 66 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 66 E C 2.313 178.917 176.600 0.006 0.000 0.989 66 E CA 1.346 57.751 56.400 0.008 0.000 0.800 66 E CB -0.334 29.376 29.700 0.017 0.000 0.746 66 E HN 0.662 nan 8.360 nan 0.000 0.452 67 E N 0.780 120.986 120.200 0.011 0.000 2.051 67 E HA -0.200 4.149 4.350 -0.000 0.000 0.192 67 E C 2.001 178.548 176.600 -0.089 0.000 0.991 67 E CA 1.153 57.550 56.400 -0.005 0.000 0.799 67 E CB -0.087 29.631 29.700 0.030 0.000 0.748 67 E HN 0.135 nan 8.360 nan 0.000 0.449 68 K N 0.444 120.798 120.400 -0.075 0.000 2.063 68 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 68 K C 2.173 178.729 176.600 -0.073 0.000 1.048 68 K CA 1.397 57.632 56.287 -0.087 0.000 0.928 68 K CB 0.194 32.663 32.500 -0.051 0.000 0.713 68 K HN -0.027 nan 8.250 nan 0.000 0.442 69 Q N 0.156 119.928 119.800 -0.048 0.000 2.049 69 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 69 Q C 2.077 178.043 176.000 -0.057 0.000 0.971 69 Q CA 1.333 57.111 55.803 -0.041 0.000 0.833 69 Q CB -0.417 28.308 28.738 -0.022 0.000 0.896 69 Q HN 0.324 nan 8.270 nan 0.000 0.434 70 R N 0.435 120.908 120.500 -0.045 0.000 2.139 70 R HA -0.123 4.217 4.340 -0.000 0.000 0.243 70 R C 1.994 178.249 176.300 -0.076 0.000 1.145 70 R CA 1.239 57.315 56.100 -0.040 0.000 0.976 70 R CB 0.058 30.361 30.300 0.004 0.000 0.866 70 R HN 0.121 nan 8.270 nan 0.000 0.449 71 V N 0.687 120.528 119.914 -0.122 0.000 2.346 71 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 71 V C 2.362 178.354 176.094 -0.170 0.000 1.037 71 V CA 1.390 63.592 62.300 -0.165 0.000 1.029 71 V CB -0.445 31.221 31.823 -0.261 0.000 0.663 71 V HN 0.300 nan 8.190 nan 0.000 0.454 72 L N -0.598 120.535 121.223 -0.150 0.000 2.012 72 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 72 L C 2.524 179.184 176.870 -0.350 0.000 1.073 72 L CA 1.676 56.380 54.840 -0.227 0.000 0.748 72 L CB -0.660 41.354 42.059 -0.075 0.000 0.891 72 L HN 0.297 nan 8.230 nan 0.000 0.431 73 L N -0.400 120.701 121.223 -0.202 0.000 1.970 73 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 73 L C 2.741 179.494 176.870 -0.194 0.000 1.071 73 L CA 1.456 56.192 54.840 -0.174 0.000 0.751 73 L CB -0.592 41.408 42.059 -0.097 0.000 0.889 73 L HN 0.217 nan 8.230 nan 0.000 0.432 74 E N -0.277 119.831 120.200 -0.155 0.000 2.209 74 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 74 E C 2.138 178.637 176.600 -0.169 0.000 0.993 74 E CA 1.263 57.588 56.400 -0.125 0.000 0.819 74 E CB -0.185 29.471 29.700 -0.072 0.000 0.745 74 E HN 0.544 nan 8.360 nan 0.000 0.477 75 A N 0.833 123.477 122.820 -0.293 0.000 1.898 75 A HA -0.089 4.230 4.320 -0.000 0.000 0.214 75 A C 2.171 179.499 177.584 -0.427 0.000 1.183 75 A CA 0.870 52.691 52.037 -0.360 0.000 0.622 75 A CB -0.220 18.451 19.000 -0.548 0.000 0.824 75 A HN 0.086 nan 8.150 nan 0.000 0.444 76 R N -0.152 120.004 120.500 -0.574 0.000 2.073 76 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 76 R C 2.299 178.502 176.300 -0.162 0.000 1.134 76 R CA 1.624 57.515 56.100 -0.349 0.000 0.952 76 R CB -0.296 29.811 30.300 -0.321 0.000 0.850 76 R HN 0.575 nan 8.270 nan 0.000 0.433 77 K N 0.703 121.015 120.400 -0.147 0.000 2.211 77 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 77 K C 1.555 178.120 176.600 -0.057 0.000 1.047 77 K CA 1.524 57.761 56.287 -0.083 0.000 0.935 77 K CB -0.023 32.433 32.500 -0.073 0.000 0.728 77 K HN 0.201 nan 8.250 nan 0.000 0.452 78 A N 0.741 123.522 122.820 -0.065 0.000 2.251 78 A HA 0.152 4.472 4.320 -0.000 0.000 0.209 78 A C 0.707 178.287 177.584 -0.006 0.000 1.187 78 A CA -0.143 51.876 52.037 -0.030 0.000 0.823 78 A CB 0.013 18.998 19.000 -0.025 0.000 0.846 78 A HN 0.086 nan 8.150 nan 0.000 0.486 89 L N 1.346 122.575 121.223 0.009 0.000 2.483 89 L HA 0.622 4.962 4.340 -0.000 0.000 0.276 89 L C -0.419 176.461 176.870 0.016 0.000 1.213 89 L CA -0.356 54.492 54.840 0.012 0.000 0.843 89 L CB -0.587 41.481 42.059 0.015 0.000 1.107 89 L HN 0.257 nan 8.230 nan 0.000 0.487 90 P HA -0.112 nan 4.420 nan 0.000 0.212 90 P C 1.186 178.503 177.300 0.028 0.000 1.180 90 P CA 1.633 64.745 63.100 0.019 0.000 0.902 90 P CB -0.003 31.706 31.700 0.015 0.000 0.778 91 N N -0.226 118.490 118.700 0.027 0.000 2.091 91 N HA -0.213 4.527 4.740 -0.000 0.000 0.193 91 N C 1.673 177.209 175.510 0.043 0.000 1.021 91 N CA 1.230 54.299 53.050 0.031 0.000 0.862 91 N CB -0.457 38.047 38.487 0.027 0.000 1.018 91 N HN 0.333 nan 8.380 nan 0.000 0.429 92 E N 0.755 120.981 120.200 0.043 0.000 2.017 92 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 92 E C 2.130 178.771 176.600 0.068 0.000 0.997 92 E CA 0.891 57.322 56.400 0.052 0.000 0.804 92 E CB -0.315 29.411 29.700 0.043 0.000 0.757 92 E HN 0.038 nan 8.360 nan 0.000 0.448 93 V N 1.779 121.729 119.914 0.061 0.000 2.370 93 V HA -0.317 3.803 4.120 -0.000 0.000 0.252 93 V C 1.901 178.066 176.094 0.118 0.000 1.068 93 V CA 2.124 64.470 62.300 0.076 0.000 1.061 93 V CB -0.404 31.443 31.823 0.039 0.000 0.656 93 V HN 0.301 nan 8.190 nan 0.000 0.455 94 D N -0.391 120.066 120.400 0.095 0.000 2.085 94 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 94 D C 2.208 178.581 176.300 0.120 0.000 0.981 94 D CA 1.512 55.576 54.000 0.106 0.000 0.834 94 D CB -0.262 40.575 40.800 0.061 0.000 0.992 94 D HN 0.371 nan 8.370 nan 0.000 0.457 95 A N 0.513 123.384 122.820 0.084 0.000 2.024 95 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 95 A C 2.182 179.809 177.584 0.072 0.000 1.164 95 A CA 2.376 54.449 52.037 0.061 0.000 0.643 95 A CB -0.531 18.494 19.000 0.042 0.000 0.806 95 A HN 0.290 nan 8.150 nan 0.000 0.451 96 A N -2.558 120.345 122.820 0.139 0.000 1.911 96 A HA 0.401 4.721 4.320 -0.000 0.000 0.212 96 A C 0.885 178.698 177.584 0.382 0.000 1.189 96 A CA 0.801 52.952 52.037 0.191 0.000 0.639 96 A CB -0.025 19.084 19.000 0.183 0.000 0.839 96 A HN 0.655 nan 8.150 nan 0.000 0.449 97 F N 1.475 121.569 119.950 0.240 0.000 2.710 97 F HA 0.344 4.871 4.527 -0.000 0.000 0.345 97 F C -2.622 173.353 175.800 0.291 0.000 1.362 97 F CA -2.585 55.593 58.000 0.297 0.000 1.175 97 F CB 1.532 40.559 39.000 0.044 0.000 1.561 97 F HN 0.039 nan 8.300 nan 0.000 0.593 98 P HA 0.094 nan 4.420 nan 0.000 0.280 98 P C 0.255 177.836 177.300 0.467 0.000 1.278 98 P CA 0.024 63.305 63.100 0.302 0.000 0.787 98 P CB 1.615 33.304 31.700 -0.018 0.000 1.163 99 L N -2.359 119.039 121.223 0.292 0.000 2.840 99 L HA 0.304 4.644 4.340 -0.000 0.000 0.249 99 L C 0.950 178.012 176.870 0.321 0.000 1.119 99 L CA 0.289 55.343 54.840 0.356 0.000 0.930 99 L CB 0.064 42.257 42.059 0.223 0.000 1.295 99 L HN 0.274 nan 8.230 nan 0.000 0.534 100 E N 0.642 120.892 120.200 0.083 0.000 2.212 100 E HA 0.325 4.675 4.350 -0.000 0.000 0.270 100 E C -0.318 175.889 176.600 -0.654 0.000 0.956 100 E CA -0.894 55.462 56.400 -0.074 0.000 0.825 100 E CB 1.519 31.163 29.700 -0.094 0.000 1.167 100 E HN -0.034 nan 8.360 nan 0.000 0.400 101 R N 3.232 123.111 120.500 -1.035 0.000 2.730 101 R HA -0.042 4.298 4.340 -0.000 0.000 0.327 101 R C -1.986 173.600 176.300 -1.191 0.000 0.825 101 R CA -0.555 54.559 56.100 -1.644 0.000 1.130 101 R CB -0.025 29.822 30.300 -0.756 0.000 0.883 101 R HN 0.266 nan 8.270 nan 0.000 0.407 102 P HA 0.070 nan 4.420 nan 0.000 0.277 102 P C -1.280 175.398 177.300 -1.037 0.000 1.240 102 P CA -0.397 61.905 63.100 -1.329 0.000 0.798 102 P CB 0.838 31.160 31.700 -2.297 0.000 0.979 103 D N 2.040 122.068 120.400 -0.621 0.000 2.468 103 D HA 0.116 4.756 4.640 -0.000 0.000 0.218 103 D C -0.990 175.290 176.300 -0.034 0.000 1.155 103 D CA -0.283 53.542 54.000 -0.292 0.000 0.924 103 D CB -0.118 40.591 40.800 -0.153 0.000 1.029 103 D HN 0.199 nan 8.370 nan 0.000 0.515 104 W N 1.288 122.537 121.300 -0.086 0.000 2.632 104 W HA 0.290 4.950 4.660 -0.000 0.000 0.328 104 W C -0.125 176.374 176.519 -0.034 0.000 1.044 104 W CA -0.977 56.353 57.345 -0.024 0.000 1.225 104 W CB 1.434 30.902 29.460 0.014 0.000 1.396 104 W HN 0.226 nan 8.180 nan 0.000 0.499 105 D N 2.402 122.903 120.400 0.168 0.000 2.373 105 D HA 0.078 4.717 4.640 -0.000 0.000 0.227 105 D C 0.610 176.903 176.300 -0.012 0.000 1.091 105 D CA -0.465 53.519 54.000 -0.028 0.000 0.840 105 D CB 0.923 41.678 40.800 -0.075 0.000 1.060 105 D HN 0.361 nan 8.370 nan 0.000 0.502 106 Y N 1.358 121.701 120.300 0.071 0.000 2.578 106 Y HA 0.017 4.567 4.550 -0.000 0.000 0.297 106 Y C 1.925 177.844 175.900 0.032 0.000 1.176 106 Y CA 0.774 58.906 58.100 0.052 0.000 1.315 106 Y CB -0.844 37.661 38.460 0.074 0.000 1.031 106 Y HN 0.254 nan 8.280 nan 0.000 0.524 107 T N -2.303 112.153 114.554 -0.162 0.000 2.951 107 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 107 T C 1.070 175.757 174.700 -0.022 0.000 1.073 107 T CA 0.735 62.798 62.100 -0.061 0.000 1.134 107 T CB -0.993 67.803 68.868 -0.120 0.000 0.884 107 T HN 0.514 nan 8.240 nan 0.000 0.479 108 T N -1.320 113.213 114.554 -0.035 0.000 2.824 108 T HA 0.382 4.731 4.350 -0.000 0.000 0.277 108 T C 1.142 175.817 174.700 -0.042 0.000 0.975 108 T CA -0.234 61.844 62.100 -0.036 0.000 0.966 108 T CB 1.164 70.005 68.868 -0.045 0.000 1.054 108 T HN 0.004 nan 8.240 nan 0.000 0.533 109 T N -0.225 114.292 114.554 -0.062 0.000 3.009 109 T HA 0.066 4.416 4.350 -0.000 0.000 0.258 109 T C 1.864 176.476 174.700 -0.147 0.000 1.063 109 T CA 0.440 62.492 62.100 -0.081 0.000 1.139 109 T CB -0.153 68.676 68.868 -0.065 0.000 0.890 109 T HN 0.601 nan 8.240 nan 0.000 0.471 110 E N 0.730 120.826 120.200 -0.174 0.000 2.072 110 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 110 E C 2.430 178.754 176.600 -0.459 0.000 0.982 110 E CA 0.909 57.122 56.400 -0.311 0.000 0.803 110 E CB -0.476 29.086 29.700 -0.229 0.000 0.755 110 E HN 0.502 nan 8.360 nan 0.000 0.453 111 G N 1.625 110.270 108.800 -0.258 0.000 2.459 111 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 111 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 111 G C 1.681 176.430 174.900 -0.252 0.000 1.183 111 G CA 0.692 45.655 45.100 -0.228 0.000 0.776 111 G HN 0.177 nan 8.290 nan 0.000 0.552 112 R N 0.097 120.520 120.500 -0.129 0.000 2.120 112 R HA -0.025 4.314 4.340 -0.000 0.000 0.234 112 R C 2.322 178.536 176.300 -0.144 0.000 1.123 112 R CA 1.072 57.127 56.100 -0.075 0.000 0.975 112 R CB -0.207 30.084 30.300 -0.015 0.000 0.866 112 R HN 0.293 nan 8.270 nan 0.000 0.446 113 N N -0.208 118.351 118.700 -0.235 0.000 2.270 113 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 113 N C 1.521 176.880 175.510 -0.251 0.000 1.016 113 N CA 0.920 53.835 53.050 -0.225 0.000 0.870 113 N CB -0.082 38.261 38.487 -0.240 0.000 0.979 113 N HN 0.322 nan 8.380 nan 0.000 0.431 114 H N 1.174 119.982 119.070 -0.436 0.000 2.321 114 H HA 0.004 4.559 4.556 -0.000 0.000 0.300 114 H C 2.308 177.335 175.328 -0.501 0.000 1.087 114 H CA 0.608 56.245 56.048 -0.684 0.000 1.319 114 H CB -0.465 28.319 29.762 -1.631 0.000 1.379 114 H HN 0.133 nan 8.280 nan 0.000 0.501 115 L N -0.228 120.822 121.223 -0.288 0.000 1.989 115 L HA -0.191 4.148 4.340 -0.000 0.000 0.211 115 L C 2.696 179.603 176.870 0.061 0.000 1.071 115 L CA 1.027 55.861 54.840 -0.010 0.000 0.749 115 L CB -0.464 41.624 42.059 0.050 0.000 0.890 115 L HN 0.050 nan 8.230 nan 0.000 0.431 116 V N -0.424 119.495 119.914 0.010 0.000 2.332 116 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 116 V C 2.323 178.452 176.094 0.059 0.000 1.055 116 V CA 1.910 64.229 62.300 0.031 0.000 1.038 116 V CB -0.435 31.390 31.823 0.002 0.000 0.651 116 V HN 0.325 nan 8.190 nan 0.000 0.450 117 L N -1.106 120.149 121.223 0.053 0.000 1.994 117 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 117 L C 2.355 179.308 176.870 0.139 0.000 1.071 117 L CA 2.077 56.970 54.840 0.089 0.000 0.745 117 L CB -0.639 41.480 42.059 0.101 0.000 0.892 117 L HN 0.410 nan 8.230 nan 0.000 0.431 118 Y N 0.383 120.700 120.300 0.029 0.000 2.069 118 Y HA -0.378 4.172 4.550 -0.000 0.000 0.278 118 Y C 2.711 178.603 175.900 -0.014 0.000 1.175 118 Y CA 2.087 60.178 58.100 -0.015 0.000 1.134 118 Y CB -0.143 38.343 38.460 0.042 0.000 0.965 118 Y HN 0.113 nan 8.280 nan 0.000 0.498 119 R N -0.253 120.389 120.500 0.236 0.000 2.096 119 R HA -0.259 4.080 4.340 -0.000 0.000 0.240 119 R C 2.218 178.561 176.300 0.072 0.000 1.139 119 R CA 2.244 58.432 56.100 0.147 0.000 0.952 119 R CB -0.564 29.811 30.300 0.124 0.000 0.854 119 R HN 0.526 nan 8.270 nan 0.000 0.436 120 Q N 0.455 120.298 119.800 0.071 0.000 2.079 120 Q HA -0.075 4.264 4.340 -0.000 0.000 0.200 120 Q C 2.273 178.310 176.000 0.062 0.000 0.974 120 Q CA 1.156 56.993 55.803 0.057 0.000 0.840 120 Q CB -0.104 28.666 28.738 0.053 0.000 0.898 120 Q HN 0.333 nan 8.270 nan 0.000 0.430 121 L N 0.276 121.550 121.223 0.085 0.000 2.046 121 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 121 L C 2.369 179.334 176.870 0.157 0.000 1.077 121 L CA 0.806 55.725 54.840 0.132 0.000 0.747 121 L CB -0.547 41.668 42.059 0.261 0.000 0.896 121 L HN 0.306 nan 8.230 nan 0.000 0.432 122 L N -0.024 121.289 121.223 0.151 0.000 1.963 122 L HA -0.302 4.038 4.340 -0.000 0.000 0.220 122 L C 2.678 179.577 176.870 0.048 0.000 1.076 122 L CA 1.608 56.519 54.840 0.119 0.000 0.772 122 L CB -0.264 41.798 42.059 0.004 0.000 0.892 122 L HN 0.238 nan 8.230 nan 0.000 0.435 123 L N 0.166 121.411 121.223 0.037 0.000 2.089 123 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 123 L C 2.539 179.427 176.870 0.029 0.000 1.079 123 L CA 2.142 56.999 54.840 0.028 0.000 0.758 123 L CB -0.963 41.114 42.059 0.030 0.000 0.891 123 L HN 0.330 nan 8.230 nan 0.000 0.433 124 A N -0.402 122.436 122.820 0.030 0.000 1.849 124 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 124 A C 2.376 179.964 177.584 0.007 0.000 1.202 124 A CA 2.055 54.103 52.037 0.019 0.000 0.629 124 A CB -1.747 17.261 19.000 0.014 0.000 0.834 124 A HN 0.549 nan 8.150 nan 0.000 0.447 125 G N -0.012 108.776 108.800 -0.019 0.000 2.777 125 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 125 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 125 G C 1.522 176.412 174.900 -0.017 0.000 1.295 125 G CA 1.486 46.555 45.100 -0.051 0.000 0.800 125 G HN 0.491 nan 8.290 nan 0.000 0.637 126 L N -0.068 121.133 121.223 -0.036 0.000 1.997 126 L HA -0.340 4.000 4.340 -0.000 0.000 0.227 126 L C 3.208 180.202 176.870 0.207 0.000 1.087 126 L CA 2.344 57.186 54.840 0.003 0.000 0.797 126 L CB -0.910 41.155 42.059 0.010 0.000 0.902 126 L HN 0.396 nan 8.230 nan 0.000 0.441 127 Q N -0.512 119.362 119.800 0.124 0.000 2.014 127 Q HA -0.227 4.112 4.340 -0.000 0.000 0.207 127 Q C 2.171 178.226 176.000 0.093 0.000 0.993 127 Q CA 1.861 57.728 55.803 0.106 0.000 0.850 127 Q CB -0.286 28.486 28.738 0.057 0.000 0.916 127 Q HN 0.492 nan 8.270 nan 0.000 0.417 128 N N 0.560 119.295 118.700 0.058 0.000 2.036 128 N HA -0.179 4.561 4.740 -0.000 0.000 0.195 128 N C 1.635 177.182 175.510 0.061 0.000 1.037 128 N CA 1.660 54.733 53.050 0.038 0.000 0.855 128 N CB -0.526 37.965 38.487 0.006 0.000 1.033 128 N HN 0.291 nan 8.380 nan 0.000 0.423 129 A N 0.162 123.034 122.820 0.086 0.000 2.125 129 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 129 A C 2.109 179.845 177.584 0.253 0.000 1.156 129 A CA 1.588 53.709 52.037 0.139 0.000 0.671 129 A CB -0.868 18.193 19.000 0.101 0.000 0.794 129 A HN 0.375 nan 8.150 nan 0.000 0.459 130 G N -1.471 107.488 108.800 0.265 0.000 2.848 130 G HA2 0.332 4.292 3.960 -0.000 0.000 0.208 130 G HA3 0.332 4.292 3.960 -0.000 0.000 0.208 130 G C 0.782 175.677 174.900 -0.008 0.000 1.152 130 G CA 0.957 46.102 45.100 0.075 0.000 0.789 130 G HN 0.885 nan 8.290 nan 0.000 0.531 131 R N 0.000 120.515 120.500 0.026 0.000 2.786 131 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 131 R CA 0.000 56.102 56.100 0.003 0.000 0.921 131 R CB 0.000 30.303 30.300 0.005 0.000 0.687 131 R HN 0.000 nan 8.270 nan 0.000 0.535