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 1twa_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL 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 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 N N 0.113 118.777 118.700 -0.060 0.000 2.270 2 N HA 0.363 5.103 4.740 0.000 0.000 0.198 2 N C -0.845 174.597 175.510 -0.114 0.000 1.117 2 N CA 0.216 53.221 53.050 -0.074 0.000 0.845 2 N CB 0.374 38.822 38.487 -0.066 0.000 0.980 2 N HN 0.633 nan 8.380 nan 0.000 0.486 3 A N 2.273 125.022 122.820 -0.117 0.000 2.454 3 A HA 0.320 4.641 4.320 0.000 0.000 0.260 3 A C -1.917 175.572 177.584 -0.158 0.000 1.106 3 A CA -0.803 51.144 52.037 -0.150 0.000 0.780 3 A CB -0.085 18.838 19.000 -0.127 0.000 1.044 3 A HN 0.116 nan 8.150 nan 0.000 0.498 4 P HA 0.221 nan 4.420 nan 0.000 0.285 4 P C -0.675 176.468 177.300 -0.262 0.000 1.259 4 P CA -0.524 62.462 63.100 -0.190 0.000 0.794 4 P CB 0.671 32.279 31.700 -0.154 0.000 0.940 5 D N 2.703 122.879 120.400 -0.374 0.000 2.548 5 D HA -0.078 4.562 4.640 0.000 0.000 0.231 5 D C 1.456 177.394 176.300 -0.604 0.000 1.142 5 D CA 0.175 53.838 54.000 -0.562 0.000 0.866 5 D CB 1.068 41.204 40.800 -1.107 0.000 1.190 5 D HN 0.276 nan 8.370 nan 0.000 0.469 6 R N 1.817 122.091 120.500 -0.377 0.000 2.115 6 R HA -0.127 4.213 4.340 0.000 0.000 0.230 6 R C 2.226 178.392 176.300 -0.223 0.000 1.111 6 R CA 0.735 56.723 56.100 -0.186 0.000 0.976 6 R CB -0.597 29.683 30.300 -0.034 0.000 0.870 6 R HN 0.604 nan 8.270 nan 0.000 0.445 7 F N 1.202 121.018 119.950 -0.223 0.000 2.184 7 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 7 F C 1.371 176.765 175.800 -0.677 0.000 1.076 7 F CA 0.977 58.601 58.000 -0.625 0.000 1.295 7 F CB -0.986 37.810 39.000 -0.340 0.000 1.026 7 F HN -0.034 nan 8.300 nan 0.000 0.494 8 E N 0.665 120.582 120.200 -0.471 0.000 2.455 8 E HA -0.111 4.239 4.350 0.000 0.000 0.202 8 E C 1.864 178.376 176.600 -0.147 0.000 1.045 8 E CA 0.773 57.039 56.400 -0.224 0.000 0.872 8 E CB -0.359 29.217 29.700 -0.206 0.000 0.792 8 E HN 0.562 nan 8.360 nan 0.000 0.542 9 L N -0.578 120.527 121.223 -0.197 0.000 2.446 9 L HA 0.002 4.342 4.340 0.000 0.000 0.219 9 L C 1.302 178.227 176.870 0.092 0.000 1.116 9 L CA 0.396 55.239 54.840 0.006 0.000 0.844 9 L CB 0.128 42.252 42.059 0.108 0.000 0.970 9 L HN 0.243 nan 8.230 nan 0.000 0.457 10 F N -3.683 116.340 119.950 0.120 0.000 2.856 10 F HA 0.500 5.027 4.527 0.000 0.000 0.338 10 F C -0.246 175.613 175.800 0.100 0.000 1.100 10 F CA -0.800 57.261 58.000 0.102 0.000 1.150 10 F CB 0.222 39.273 39.000 0.087 0.000 1.101 10 F HN -0.279 nan 8.300 nan 0.000 0.548 11 L N 2.422 123.636 121.223 -0.016 0.000 2.409 11 L HA 0.569 4.909 4.340 0.000 0.000 0.272 11 L C -0.838 176.052 176.870 0.034 0.000 0.980 11 L CA -1.245 53.611 54.840 0.027 0.000 0.826 11 L CB 1.899 43.929 42.059 -0.047 0.000 1.268 11 L HN 0.026 nan 8.230 nan 0.000 0.407 12 L N 2.960 124.206 121.223 0.039 0.000 2.349 12 L HA 0.594 4.934 4.340 0.000 0.000 0.275 12 L C 1.175 178.061 176.870 0.027 0.000 1.115 12 L CA 0.270 55.128 54.840 0.030 0.000 0.820 12 L CB 0.888 42.960 42.059 0.022 0.000 1.135 12 L HN 0.720 nan 8.230 nan 0.000 0.445 13 G N 1.464 110.281 108.800 0.028 0.000 2.716 13 G HA2 0.149 4.109 3.960 0.000 0.000 0.251 13 G HA3 0.149 4.109 3.960 0.000 0.000 0.251 13 G C -0.130 174.776 174.900 0.010 0.000 1.224 13 G CA -0.514 44.603 45.100 0.028 0.000 0.891 13 G HN 0.748 nan 8.290 nan 0.000 0.561 14 E N -0.955 119.250 120.200 0.008 0.000 2.418 14 E HA 0.320 4.670 4.350 0.000 0.000 0.261 14 E C 1.439 178.035 176.600 -0.006 0.000 1.070 14 E CA 0.369 56.768 56.400 -0.001 0.000 0.931 14 E CB 0.020 29.719 29.700 -0.001 0.000 0.954 14 E HN 1.245 nan 8.360 nan 0.000 0.439 15 G N 2.648 111.442 108.800 -0.010 0.000 2.196 15 G HA2 -0.342 3.618 3.960 0.000 0.000 0.268 15 G HA3 -0.342 3.618 3.960 0.000 0.000 0.268 15 G C -0.018 174.871 174.900 -0.019 0.000 0.975 15 G CA 0.858 45.949 45.100 -0.015 0.000 0.648 15 G HN 0.632 nan 8.290 nan 0.000 0.538 16 E N 0.227 120.417 120.200 -0.016 0.000 2.250 16 E HA 0.610 4.960 4.350 0.000 0.000 0.269 16 E C -0.278 176.309 176.600 -0.022 0.000 1.018 16 E CA -0.338 56.049 56.400 -0.022 0.000 0.873 16 E CB 1.410 31.101 29.700 -0.015 0.000 1.134 16 E HN 0.176 nan 8.360 nan 0.000 0.403 17 S N 1.187 116.867 115.700 -0.034 0.000 2.664 17 S HA 0.176 4.646 4.470 0.000 0.000 0.304 17 S C 0.819 175.392 174.600 -0.044 0.000 1.099 17 S CA -0.840 57.336 58.200 -0.039 0.000 1.003 17 S CB 1.649 64.814 63.200 -0.058 0.000 1.092 17 S HN 0.376 nan 8.310 nan 0.000 0.525 18 K N 0.524 120.900 120.400 -0.039 0.000 2.009 18 K HA 0.078 4.398 4.320 0.000 0.000 0.210 18 K C 0.363 176.885 176.600 -0.130 0.000 1.049 18 K CA 1.401 57.663 56.287 -0.042 0.000 0.929 18 K CB -0.337 32.158 32.500 -0.008 0.000 0.714 18 K HN 0.513 nan 8.250 nan 0.000 0.440 19 L N 0.689 121.800 121.223 -0.187 0.000 2.333 19 L HA 0.368 4.708 4.340 0.000 0.000 0.269 19 L C -0.588 176.161 176.870 -0.202 0.000 1.010 19 L CA -0.855 53.804 54.840 -0.301 0.000 0.818 19 L CB 1.942 43.803 42.059 -0.329 0.000 1.306 19 L HN -0.168 nan 8.230 nan 0.000 0.430 20 K N 2.450 122.723 120.400 -0.212 0.000 2.427 20 K HA 0.703 5.023 4.320 0.000 0.000 0.252 20 K C -1.377 175.136 176.600 -0.145 0.000 0.931 20 K CA -0.208 55.995 56.287 -0.139 0.000 0.793 20 K CB 2.659 35.097 32.500 -0.103 0.000 1.211 20 K HN 0.386 nan 8.250 nan 0.000 0.426 21 I N 2.113 122.619 120.570 -0.108 0.000 2.466 21 I HA 0.400 4.570 4.170 0.000 0.000 0.289 21 I C -1.069 175.014 176.117 -0.058 0.000 1.026 21 I CA -0.752 60.495 61.300 -0.090 0.000 1.078 21 I CB 1.984 39.933 38.000 -0.085 0.000 1.249 21 I HN 0.456 nan 8.210 nan 0.000 0.429 22 D N 6.670 127.044 120.400 -0.044 0.000 2.732 22 D HA 0.435 5.075 4.640 0.000 0.000 0.229 22 D C -2.737 173.552 176.300 -0.019 0.000 1.152 22 D CA -1.298 52.684 54.000 -0.030 0.000 0.854 22 D CB 2.942 43.725 40.800 -0.027 0.000 1.590 22 D HN 0.121 nan 8.370 nan 0.000 0.468 23 P HA 0.292 nan 4.420 nan 0.000 0.288 23 P C -0.872 176.422 177.300 -0.010 0.000 1.267 23 P CA -0.483 62.609 63.100 -0.013 0.000 0.815 23 P CB 1.026 32.718 31.700 -0.014 0.000 0.989 24 D N 0.473 120.869 120.400 -0.008 0.000 2.177 24 D HA 0.243 4.883 4.640 0.000 0.000 0.247 24 D C 0.664 176.952 176.300 -0.019 0.000 1.063 24 D CA -0.173 53.820 54.000 -0.012 0.000 0.867 24 D CB 0.896 41.688 40.800 -0.014 0.000 1.168 24 D HN 0.151 nan 8.370 nan 0.000 0.445 25 T N 2.217 116.758 114.554 -0.021 0.000 3.009 25 T HA -0.038 4.312 4.350 0.000 0.000 0.258 25 T C 1.603 176.286 174.700 -0.028 0.000 1.063 25 T CA 0.284 62.371 62.100 -0.021 0.000 1.139 25 T CB 0.083 68.940 68.868 -0.018 0.000 0.890 25 T HN 0.285 nan 8.240 nan 0.000 0.471 26 K N 1.533 121.910 120.400 -0.037 0.000 2.211 26 K HA 0.142 4.462 4.320 0.000 0.000 0.204 26 K C 0.882 177.450 176.600 -0.053 0.000 1.047 26 K CA 0.520 56.778 56.287 -0.049 0.000 0.935 26 K CB -0.257 32.203 32.500 -0.067 0.000 0.728 26 K HN 0.465 nan 8.250 nan 0.000 0.452 27 A N 0.554 123.343 122.820 -0.051 0.000 2.599 27 A HA 0.542 4.862 4.320 0.000 0.000 0.290 27 A C -2.836 174.730 177.584 -0.030 0.000 1.101 27 A CA -1.153 50.855 52.037 -0.048 0.000 0.674 27 A CB 1.552 20.507 19.000 -0.075 0.000 1.277 27 A HN -0.125 nan 8.150 nan 0.000 0.419 28 P HA 0.364 nan 4.420 nan 0.000 0.290 28 P C -0.453 176.847 177.300 -0.000 0.000 1.275 28 P CA -0.163 62.933 63.100 -0.007 0.000 0.841 28 P CB 0.888 32.587 31.700 -0.003 0.000 1.042 29 N N -0.649 118.051 118.700 0.001 0.000 2.771 29 N HA -0.124 4.616 4.740 0.000 0.000 0.249 29 N C -0.960 174.551 175.510 0.002 0.000 1.069 29 N CA 0.988 54.039 53.050 0.002 0.000 0.688 29 N CB -1.265 37.228 38.487 0.011 0.000 0.928 29 N HN 0.732 nan 8.380 nan 0.000 0.551 30 A N -0.382 122.439 122.820 0.001 0.000 2.449 30 A HA 0.829 5.149 4.320 0.000 0.000 0.302 30 A C -0.521 177.070 177.584 0.013 0.000 1.048 30 A CA -0.415 51.632 52.037 0.016 0.000 0.708 30 A CB 2.686 21.688 19.000 0.004 0.000 1.274 30 A HN 0.083 nan 8.150 nan 0.000 0.410 31 V N 1.161 121.094 119.914 0.033 0.000 3.130 31 V HA 0.679 4.799 4.120 0.000 0.000 0.310 31 V C -1.133 174.992 176.094 0.051 0.000 1.158 31 V CA -0.432 61.882 62.300 0.024 0.000 1.029 31 V CB 2.511 34.336 31.823 0.003 0.000 1.057 31 V HN 0.838 nan 8.190 nan 0.000 0.436 32 V N 5.011 124.945 119.914 0.034 0.000 2.443 32 V HA 0.542 4.662 4.120 0.000 0.000 0.293 32 V C -0.450 175.650 176.094 0.009 0.000 1.021 32 V CA -0.368 61.963 62.300 0.052 0.000 0.848 32 V CB 1.501 33.350 31.823 0.044 0.000 0.998 32 V HN 0.606 nan 8.190 nan 0.000 0.424 33 I N 3.483 124.058 120.570 0.009 0.000 2.377 33 I HA 0.455 4.625 4.170 0.000 0.000 0.293 33 I C 0.184 176.222 176.117 -0.131 0.000 0.987 33 I CA -0.208 61.023 61.300 -0.115 0.000 1.185 33 I CB 2.005 39.894 38.000 -0.186 0.000 1.341 33 I HN 0.457 nan 8.210 nan 0.000 0.455 34 T N 6.153 120.589 114.554 -0.197 0.000 2.756 34 T HA 0.455 4.805 4.350 0.000 0.000 0.290 34 T C -0.461 174.059 174.700 -0.300 0.000 0.985 34 T CA -0.270 61.726 62.100 -0.174 0.000 0.955 34 T CB 0.254 69.061 68.868 -0.102 0.000 0.930 34 T HN 0.108 nan 8.240 nan 0.000 0.451 35 F N 3.059 122.730 119.950 -0.465 0.000 2.411 35 F HA 0.303 4.830 4.527 -0.000 0.000 0.355 35 F C 1.212 176.840 175.800 -0.287 0.000 1.117 35 F CA -0.690 57.022 58.000 -0.481 0.000 1.139 35 F CB 0.814 39.180 39.000 -1.056 0.000 1.120 35 F HN 0.424 nan 8.300 nan 0.000 0.493 36 E N 3.444 123.633 120.200 -0.019 0.000 2.248 36 E HA 0.212 4.562 4.350 0.000 0.000 0.272 36 E C -0.166 176.483 176.600 0.082 0.000 1.008 36 E CA -0.872 55.547 56.400 0.031 0.000 0.856 36 E CB 1.001 30.704 29.700 0.005 0.000 1.120 36 E HN 0.382 nan 8.360 nan 0.000 0.397 37 K N 1.201 121.662 120.400 0.101 0.000 3.177 37 K HA -0.187 4.133 4.320 0.000 0.000 0.266 37 K C -0.338 176.364 176.600 0.171 0.000 0.937 37 K CA 1.023 57.390 56.287 0.133 0.000 0.702 37 K CB -1.279 31.291 32.500 0.117 0.000 1.365 37 K HN 0.488 nan 8.250 nan 0.000 0.466 38 E N 0.469 120.785 120.200 0.193 0.000 2.410 38 E HA 0.538 4.888 4.350 0.000 0.000 0.269 38 E C 0.219 176.980 176.600 0.270 0.000 0.937 38 E CA -0.521 56.025 56.400 0.244 0.000 0.793 38 E CB 1.914 31.805 29.700 0.318 0.000 1.314 38 E HN 0.280 nan 8.360 nan 0.000 0.447 39 D N -2.099 118.405 120.400 0.172 0.000 3.455 39 D HA 0.148 4.788 4.640 0.000 0.000 0.320 39 D C 0.846 177.037 176.300 -0.181 0.000 1.401 39 D CA -0.343 53.668 54.000 0.018 0.000 0.982 39 D CB 0.064 40.891 40.800 0.044 0.000 1.397 39 D HN 0.307 nan 8.370 nan 0.000 0.607 40 H N -0.544 118.489 119.070 -0.060 0.000 2.423 40 H HA -0.023 4.533 4.556 0.000 0.000 0.297 40 H C 1.376 176.538 175.328 -0.277 0.000 1.075 40 H CA 1.891 57.839 56.048 -0.166 0.000 1.342 40 H CB -0.241 29.518 29.762 -0.004 0.000 1.395 40 H HN 0.398 nan 8.280 nan 0.000 0.530 41 T N 1.750 116.273 114.554 -0.052 0.000 2.597 41 T HA -0.165 4.185 4.350 0.000 0.000 0.267 41 T C 2.131 176.724 174.700 -0.177 0.000 1.053 41 T CA 1.263 63.312 62.100 -0.085 0.000 1.165 41 T CB -0.337 68.509 68.868 -0.037 0.000 0.863 41 T HN 0.064 nan 8.240 nan 0.000 0.427 42 L N 0.675 121.771 121.223 -0.211 0.000 2.156 42 L HA 0.205 4.545 4.340 0.000 0.000 0.208 42 L C 2.606 179.139 176.870 -0.561 0.000 1.095 42 L CA 1.606 56.282 54.840 -0.274 0.000 0.770 42 L CB -1.395 40.579 42.059 -0.143 0.000 0.914 42 L HN 0.372 nan 8.230 nan 0.000 0.439 43 G N -1.199 107.010 108.800 -0.984 0.000 2.395 43 G HA2 -0.280 3.680 3.960 0.000 0.000 0.214 43 G HA3 -0.280 3.680 3.960 0.000 0.000 0.214 43 G C 1.492 175.509 174.900 -1.473 0.000 1.177 43 G CA 0.599 44.575 45.100 -1.874 0.000 0.794 43 G HN 0.399 nan 8.290 nan 0.000 0.532 44 N N -0.043 117.969 118.700 -1.146 0.000 2.289 44 N HA -0.056 4.684 4.740 0.000 0.000 0.184 44 N C 1.971 177.267 175.510 -0.357 0.000 1.016 44 N CA 0.772 53.442 53.050 -0.633 0.000 0.872 44 N CB -0.122 38.221 38.487 -0.240 0.000 0.973 44 N HN 0.290 nan 8.380 nan 0.000 0.433 45 L N -0.144 120.881 121.223 -0.329 0.000 2.084 45 L HA 0.093 4.433 4.340 0.000 0.000 0.202 45 L C 1.791 178.561 176.870 -0.166 0.000 1.074 45 L CA 1.167 55.892 54.840 -0.192 0.000 0.757 45 L CB -0.607 41.359 42.059 -0.155 0.000 0.918 45 L HN 0.019 nan 8.230 nan 0.000 0.444 46 I N -0.024 120.429 120.570 -0.195 0.000 2.127 46 I HA -0.243 3.927 4.170 0.000 0.000 0.241 46 I C 2.697 178.757 176.117 -0.096 0.000 1.075 46 I CA 1.189 62.427 61.300 -0.105 0.000 1.334 46 I CB -1.603 36.357 38.000 -0.068 0.000 1.040 46 I HN 0.397 nan 8.210 nan 0.000 0.405 47 R N 1.316 121.723 120.500 -0.156 0.000 2.133 47 R HA -0.218 4.122 4.340 0.000 0.000 0.245 47 R C 2.170 178.423 176.300 -0.079 0.000 1.137 47 R CA 2.307 58.343 56.100 -0.106 0.000 0.947 47 R CB -0.785 29.430 30.300 -0.141 0.000 0.865 47 R HN 0.422 nan 8.270 nan 0.000 0.437 48 A N 0.772 123.536 122.820 -0.093 0.000 1.969 48 A HA -0.102 4.218 4.320 0.000 0.000 0.218 48 A C 2.042 179.604 177.584 -0.038 0.000 1.169 48 A CA 1.190 53.192 52.037 -0.058 0.000 0.635 48 A CB -0.277 18.686 19.000 -0.062 0.000 0.810 48 A HN 0.301 nan 8.150 nan 0.000 0.445 49 E N 0.281 120.460 120.200 -0.035 0.000 2.038 49 E HA -0.175 4.175 4.350 0.000 0.000 0.195 49 E C 1.927 178.526 176.600 -0.001 0.000 1.000 49 E CA 1.117 57.509 56.400 -0.014 0.000 0.803 49 E CB -0.589 29.106 29.700 -0.009 0.000 0.750 49 E HN 0.639 nan 8.360 nan 0.000 0.448 50 L N 0.318 121.540 121.223 -0.002 0.000 2.283 50 L HA -0.219 4.121 4.340 0.000 0.000 0.217 50 L C 2.204 179.078 176.870 0.007 0.000 1.104 50 L CA 0.566 55.412 54.840 0.011 0.000 0.772 50 L CB -0.302 41.759 42.059 0.004 0.000 0.899 50 L HN 0.075 nan 8.230 nan 0.000 0.439 51 L N -0.963 120.254 121.223 -0.009 0.000 2.592 51 L HA 0.079 4.419 4.340 0.000 0.000 0.227 51 L C 1.756 178.631 176.870 0.007 0.000 1.127 51 L CA 0.804 55.639 54.840 -0.008 0.000 0.884 51 L CB -0.451 41.592 42.059 -0.028 0.000 1.065 51 L HN 0.175 nan 8.230 nan 0.000 0.457 52 N N -0.777 117.930 118.700 0.012 0.000 2.415 52 N HA -0.064 4.676 4.740 0.000 0.000 0.176 52 N C 0.221 175.747 175.510 0.028 0.000 1.042 52 N CA 0.273 53.332 53.050 0.014 0.000 0.902 52 N CB 0.069 38.562 38.487 0.010 0.000 0.986 52 N HN 0.251 nan 8.380 nan 0.000 0.447 53 D N 1.087 121.514 120.400 0.045 0.000 2.342 53 D HA 0.043 4.683 4.640 0.000 0.000 0.260 53 D C 0.892 177.238 176.300 0.077 0.000 1.278 53 D CA 0.069 54.113 54.000 0.074 0.000 0.910 53 D CB 0.505 41.380 40.800 0.124 0.000 1.079 53 D HN 0.018 nan 8.370 nan 0.000 0.496 54 R N 2.548 123.083 120.500 0.058 0.000 2.237 54 R HA -0.050 4.290 4.340 0.000 0.000 0.219 54 R C 1.487 177.836 176.300 0.081 0.000 1.080 54 R CA 0.833 56.965 56.100 0.054 0.000 0.995 54 R CB 0.308 30.627 30.300 0.032 0.000 0.875 54 R HN 0.356 nan 8.270 nan 0.000 0.462 55 K N -0.009 120.466 120.400 0.125 0.000 2.504 55 K HA 0.034 4.354 4.320 0.000 0.000 0.195 55 K C 0.007 176.750 176.600 0.238 0.000 1.036 55 K CA 0.277 56.691 56.287 0.211 0.000 0.984 55 K CB 0.482 33.152 32.500 0.284 0.000 0.788 55 K HN -0.077 nan 8.250 nan 0.000 0.488 56 V N 2.606 122.623 119.914 0.172 0.000 2.397 56 V HA 0.006 4.126 4.120 0.000 0.000 0.262 56 V C 1.207 177.356 176.094 0.092 0.000 1.047 56 V CA 0.247 62.609 62.300 0.104 0.000 1.003 56 V CB 0.560 32.425 31.823 0.070 0.000 1.037 56 V HN 0.290 nan 8.190 nan 0.000 0.480 57 L N 4.563 125.851 121.223 0.108 0.000 2.202 57 L HA 0.263 4.603 4.340 0.000 0.000 0.205 57 L C 0.408 177.395 176.870 0.196 0.000 1.083 57 L CA 1.167 56.084 54.840 0.128 0.000 0.790 57 L CB 0.149 42.283 42.059 0.124 0.000 0.942 57 L HN 0.540 nan 8.230 nan 0.000 0.452 58 F N -0.043 119.924 119.950 0.029 0.000 2.574 58 F HA 0.661 5.188 4.527 -0.000 0.000 0.313 58 F C -0.846 174.977 175.800 0.038 0.000 1.130 58 F CA -0.844 57.175 58.000 0.032 0.000 0.936 58 F CB 1.443 40.460 39.000 0.028 0.000 1.219 58 F HN -0.237 nan 8.300 nan 0.000 0.445 59 A N 3.861 126.331 122.820 -0.583 0.000 2.549 59 A HA 1.011 5.331 4.320 0.000 0.000 0.297 59 A C -1.759 175.448 177.584 -0.629 0.000 1.061 59 A CA -0.107 51.634 52.037 -0.493 0.000 0.690 59 A CB 1.523 20.424 19.000 -0.165 0.000 1.287 59 A HN 1.867 nan 8.150 nan 0.000 0.402 60 A N 0.595 123.226 122.820 -0.315 0.000 2.594 60 A HA 0.725 5.045 4.320 0.000 0.000 0.296 60 A C -1.274 176.409 177.584 0.166 0.000 1.056 60 A CA -0.193 51.784 52.037 -0.100 0.000 0.693 60 A CB 0.490 19.401 19.000 -0.149 0.000 1.278 60 A HN 2.244 nan 8.150 nan 0.000 0.408 61 Y N 0.664 120.974 120.300 0.017 0.000 2.576 61 Y HA 0.886 5.436 4.550 -0.000 0.000 0.346 61 Y C -0.649 175.298 175.900 0.079 0.000 1.018 61 Y CA -0.817 57.335 58.100 0.086 0.000 1.050 61 Y CB 1.899 40.357 38.460 -0.003 0.000 1.280 61 Y HN 0.887 nan 8.280 nan 0.000 0.474 62 K N 2.017 122.397 120.400 -0.034 0.000 2.562 62 K HA 0.575 4.895 4.320 0.000 0.000 0.267 62 K C -2.367 174.265 176.600 0.054 0.000 0.938 62 K CA -1.000 55.180 56.287 -0.178 0.000 0.840 62 K CB 2.345 34.798 32.500 -0.078 0.000 1.390 62 K HN 0.851 nan 8.250 nan 0.000 0.428 63 V N 2.526 122.431 119.914 -0.014 0.000 2.328 63 V HA 0.193 4.313 4.120 0.000 0.000 0.278 63 V C 0.735 176.868 176.094 0.066 0.000 1.021 63 V CA -0.038 62.306 62.300 0.073 0.000 0.838 63 V CB 0.928 32.732 31.823 -0.032 0.000 0.999 63 V HN 0.956 nan 8.190 nan 0.000 0.447 64 E N 3.977 124.243 120.200 0.110 0.000 2.204 64 E HA -0.044 4.306 4.350 0.000 0.000 0.194 64 E C 0.049 176.727 176.600 0.130 0.000 0.989 64 E CA 1.015 57.477 56.400 0.103 0.000 0.824 64 E CB 0.175 29.952 29.700 0.128 0.000 0.756 64 E HN 0.882 nan 8.360 nan 0.000 0.477 65 H N -1.634 117.497 119.070 0.102 0.000 3.029 65 H HA 0.103 4.659 4.556 0.000 0.000 0.358 65 H C -2.217 173.085 175.328 -0.044 0.000 1.129 65 H CA -1.752 54.291 56.048 -0.009 0.000 1.230 65 H CB 2.052 31.842 29.762 0.047 0.000 1.827 65 H HN -0.232 nan 8.280 nan 0.000 0.530 66 P HA -0.077 nan 4.420 nan 0.000 0.239 66 P C 0.687 178.106 177.300 0.198 0.000 1.184 66 P CA 1.054 64.193 63.100 0.065 0.000 0.760 66 P CB 0.003 31.674 31.700 -0.049 0.000 0.884 67 F N -1.426 118.512 119.950 -0.019 0.000 2.569 67 F HA 0.128 4.655 4.527 0.000 0.000 0.295 67 F C 0.846 176.333 175.800 -0.522 0.000 1.115 67 F CA -0.155 57.571 58.000 -0.457 0.000 1.450 67 F CB 0.138 38.487 39.000 -1.086 0.000 1.107 67 F HN -0.227 nan 8.300 nan 0.000 0.563 68 F N -0.232 119.871 119.950 0.256 0.000 2.520 68 F HA 0.551 5.078 4.527 -0.000 0.000 0.322 68 F C 0.164 176.039 175.800 0.125 0.000 1.103 68 F CA -1.363 56.722 58.000 0.142 0.000 0.926 68 F CB 1.131 40.192 39.000 0.103 0.000 1.154 68 F HN -0.347 nan 8.300 nan 0.000 0.453 69 A N 4.227 127.213 122.820 0.276 0.000 2.807 69 A HA 0.622 4.942 4.320 0.000 0.000 0.307 69 A C -0.034 177.667 177.584 0.196 0.000 1.532 69 A CA -0.377 51.781 52.037 0.201 0.000 1.215 69 A CB -0.465 18.634 19.000 0.165 0.000 1.127 69 A HN 0.884 nan 8.150 nan 0.000 0.543 70 R N 0.883 121.511 120.500 0.214 0.000 2.643 70 R HA 0.761 5.101 4.340 0.000 0.000 0.269 70 R C -1.210 175.233 176.300 0.239 0.000 1.037 70 R CA -0.683 55.520 56.100 0.173 0.000 0.894 70 R CB 1.060 31.430 30.300 0.117 0.000 1.238 70 R HN 0.712 nan 8.270 nan 0.000 0.459 71 F N -0.561 119.475 119.950 0.144 0.000 2.650 71 F HA 0.710 5.237 4.527 0.000 0.000 0.320 71 F C -1.450 174.476 175.800 0.210 0.000 1.091 71 F CA -1.174 56.915 58.000 0.148 0.000 0.962 71 F CB 2.179 41.261 39.000 0.136 0.000 1.363 71 F HN 0.426 nan 8.300 nan 0.000 0.482 72 K N 2.463 123.114 120.400 0.418 0.000 2.507 72 K HA 0.569 4.889 4.320 0.000 0.000 0.251 72 K C -1.945 174.910 176.600 0.425 0.000 0.943 72 K CA -0.663 55.784 56.287 0.266 0.000 0.794 72 K CB 2.457 35.065 32.500 0.180 0.000 1.188 72 K HN 0.774 nan 8.250 nan 0.000 0.428 73 L N 3.269 124.728 121.223 0.393 0.000 2.362 73 L HA 0.547 4.887 4.340 0.000 0.000 0.275 73 L C -1.083 175.947 176.870 0.267 0.000 0.998 73 L CA -0.828 54.255 54.840 0.405 0.000 0.820 73 L CB 1.745 44.112 42.059 0.514 0.000 1.270 73 L HN 0.603 nan 8.230 nan 0.000 0.415 74 R N 5.842 126.497 120.500 0.259 0.000 2.439 74 R HA 0.618 4.958 4.340 0.000 0.000 0.310 74 R C -1.411 175.054 176.300 0.275 0.000 0.955 74 R CA -0.592 55.671 56.100 0.272 0.000 0.853 74 R CB 1.156 31.694 30.300 0.395 0.000 1.171 74 R HN 0.512 nan 8.270 nan 0.000 0.449 75 I N 3.184 123.877 120.570 0.205 0.000 2.433 75 I HA 0.362 4.532 4.170 0.000 0.000 0.292 75 I C -0.554 175.664 176.117 0.168 0.000 1.001 75 I CA -0.784 60.610 61.300 0.157 0.000 1.119 75 I CB 1.654 39.691 38.000 0.063 0.000 1.289 75 I HN 0.691 nan 8.210 nan 0.000 0.438 76 Q N 4.149 124.078 119.800 0.215 0.000 2.309 76 Q HA 0.698 5.038 4.340 0.000 0.000 0.264 76 Q C -0.950 175.096 176.000 0.078 0.000 1.008 76 Q CA -0.430 55.452 55.803 0.132 0.000 0.853 76 Q CB 2.452 31.287 28.738 0.161 0.000 1.314 76 Q HN 0.886 nan 8.270 nan 0.000 0.448 77 T N -1.162 113.410 114.554 0.030 0.000 2.864 77 T HA 0.467 4.817 4.350 0.000 0.000 0.299 77 T C -0.254 174.485 174.700 0.065 0.000 1.166 77 T CA -0.869 61.247 62.100 0.026 0.000 1.007 77 T CB 1.216 70.000 68.868 -0.141 0.000 1.219 77 T HN 0.601 nan 8.240 nan 0.000 0.506 78 T N 0.852 115.479 114.554 0.122 0.000 2.908 78 T HA 0.123 4.473 4.350 0.000 0.000 0.325 78 T C 0.265 175.041 174.700 0.127 0.000 1.092 78 T CA -0.558 61.617 62.100 0.123 0.000 1.125 78 T CB 0.222 69.170 68.868 0.133 0.000 1.016 78 T HN 0.778 nan 8.240 nan 0.000 0.550 79 E N 0.702 120.954 120.200 0.085 0.000 2.324 79 E HA 0.314 4.664 4.350 0.000 0.000 0.271 79 E C 1.174 177.824 176.600 0.082 0.000 1.028 79 E CA 0.731 57.170 56.400 0.065 0.000 0.890 79 E CB -0.040 29.686 29.700 0.044 0.000 1.004 79 E HN 1.029 nan 8.360 nan 0.000 0.431 80 G N 4.234 113.086 108.800 0.087 0.000 2.201 80 G HA2 -0.285 3.675 3.960 0.000 0.000 0.212 80 G HA3 -0.285 3.675 3.960 0.000 0.000 0.212 80 G C -0.372 174.623 174.900 0.158 0.000 0.994 80 G CA 0.125 45.282 45.100 0.095 0.000 0.644 80 G HN 0.615 nan 8.290 nan 0.000 0.508 81 Y N 1.810 122.121 120.300 0.018 0.000 2.338 81 Y HA 0.544 5.094 4.550 0.000 0.000 0.328 81 Y C -0.609 175.304 175.900 0.023 0.000 0.965 81 Y CA -1.237 56.876 58.100 0.020 0.000 1.208 81 Y CB 1.366 39.840 38.460 0.023 0.000 1.132 81 Y HN 0.088 nan 8.280 nan 0.000 0.469 82 D N 8.917 129.320 120.400 0.005 0.000 2.390 82 D HA 0.064 4.704 4.640 0.000 0.000 0.249 82 D C -1.556 174.577 176.300 -0.279 0.000 1.144 82 D CA -2.122 51.827 54.000 -0.085 0.000 0.880 82 D CB 1.827 42.620 40.800 -0.011 0.000 1.182 82 D HN 0.374 nan 8.370 nan 0.000 0.451 83 P HA -0.204 nan 4.420 nan 0.000 0.216 83 P C 0.847 178.071 177.300 -0.127 0.000 1.153 83 P CA 1.295 64.273 63.100 -0.204 0.000 0.858 83 P CB 0.312 31.953 31.700 -0.100 0.000 0.789 84 K N -0.530 119.826 120.400 -0.073 0.000 2.281 84 K HA -0.144 4.176 4.320 0.000 0.000 0.203 84 K C 1.706 178.292 176.600 -0.022 0.000 1.046 84 K CA 1.116 57.381 56.287 -0.038 0.000 0.938 84 K CB -0.424 32.061 32.500 -0.025 0.000 0.737 84 K HN 0.172 nan 8.250 nan 0.000 0.458 85 D N 0.422 120.797 120.400 -0.040 0.000 2.234 85 D HA -0.016 4.624 4.640 0.000 0.000 0.205 85 D C 1.604 177.931 176.300 0.045 0.000 0.962 85 D CA 0.594 54.622 54.000 0.046 0.000 0.855 85 D CB 0.239 41.138 40.800 0.165 0.000 0.951 85 D HN 0.179 nan 8.370 nan 0.000 0.500 86 A N 0.222 122.976 122.820 -0.110 0.000 2.123 86 A HA -0.001 4.319 4.320 0.000 0.000 0.214 86 A C 1.962 179.564 177.584 0.031 0.000 1.152 86 A CA 0.350 52.359 52.037 -0.045 0.000 0.728 86 A CB -0.073 18.806 19.000 -0.202 0.000 0.814 86 A HN 0.203 nan 8.150 nan 0.000 0.464 87 L N -0.632 120.602 121.223 0.019 0.000 2.249 87 L HA 0.125 4.465 4.340 0.000 0.000 0.207 87 L C 1.992 178.898 176.870 0.060 0.000 1.090 87 L CA 1.579 56.450 54.840 0.052 0.000 0.802 87 L CB -0.309 41.787 42.059 0.062 0.000 0.947 87 L HN 0.230 nan 8.230 nan 0.000 0.453 88 K N -0.190 120.241 120.400 0.053 0.000 2.002 88 K HA -0.118 4.202 4.320 0.000 0.000 0.209 88 K C 1.801 178.438 176.600 0.063 0.000 1.048 88 K CA 1.511 57.831 56.287 0.055 0.000 0.930 88 K CB -0.465 32.065 32.500 0.050 0.000 0.714 88 K HN 0.342 nan 8.250 nan 0.000 0.438 89 N N 1.172 119.923 118.700 0.084 0.000 2.094 89 N HA -0.186 4.554 4.740 0.000 0.000 0.191 89 N C 1.770 177.320 175.510 0.066 0.000 1.023 89 N CA 1.671 54.773 53.050 0.087 0.000 0.857 89 N CB -0.329 38.234 38.487 0.127 0.000 1.013 89 N HN 0.254 nan 8.380 nan 0.000 0.426 90 A N 0.438 123.297 122.820 0.064 0.000 1.903 90 A HA -0.021 4.299 4.320 0.000 0.000 0.213 90 A C 2.678 180.284 177.584 0.037 0.000 1.185 90 A CA 0.762 52.827 52.037 0.047 0.000 0.628 90 A CB -0.886 18.140 19.000 0.044 0.000 0.830 90 A HN 0.390 nan 8.150 nan 0.000 0.446 91 C N -0.003 119.325 119.300 0.047 0.000 2.398 91 C HA -0.155 4.305 4.460 0.000 0.000 0.276 91 C C 2.652 177.661 174.990 0.031 0.000 1.222 91 C CA 1.177 60.220 59.018 0.042 0.000 1.746 91 C CB -1.508 26.266 27.740 0.057 0.000 2.039 91 C HN 0.644 nan 8.230 nan 0.000 0.470 92 N N 1.562 120.282 118.700 0.034 0.000 2.058 92 N HA -0.171 4.569 4.740 0.000 0.000 0.200 92 N C 1.759 177.282 175.510 0.023 0.000 1.033 92 N CA 2.323 55.390 53.050 0.029 0.000 0.880 92 N CB -0.933 37.573 38.487 0.032 0.000 1.069 92 N HN 0.562 nan 8.380 nan 0.000 0.461 93 S N 0.658 116.372 115.700 0.024 0.000 2.420 93 S HA -0.087 4.383 4.470 0.000 0.000 0.237 93 S C 1.942 176.548 174.600 0.010 0.000 1.023 93 S CA 0.650 58.860 58.200 0.017 0.000 0.991 93 S CB -0.096 63.113 63.200 0.016 0.000 0.792 93 S HN 0.204 nan 8.310 nan 0.000 0.488 94 I N 1.918 122.493 120.570 0.008 0.000 2.162 94 I HA -0.016 4.154 4.170 0.000 0.000 0.238 94 I C 2.268 178.385 176.117 -0.000 0.000 1.076 94 I CA 0.798 62.097 61.300 -0.001 0.000 1.353 94 I CB -1.244 36.752 38.000 -0.007 0.000 1.063 94 I HN 0.254 nan 8.210 nan 0.000 0.408 95 I N 1.158 121.731 120.570 0.005 0.000 2.399 95 I HA -0.351 3.819 4.170 0.000 0.000 0.254 95 I C 2.020 178.141 176.117 0.006 0.000 1.146 95 I CA 1.172 62.475 61.300 0.006 0.000 1.412 95 I CB -0.326 37.681 38.000 0.012 0.000 1.076 95 I HN 0.349 nan 8.210 nan 0.000 0.432 96 N N 0.933 119.638 118.700 0.008 0.000 2.220 96 N HA -0.071 4.669 4.740 0.000 0.000 0.182 96 N C 1.588 177.104 175.510 0.009 0.000 1.023 96 N CA 1.055 54.111 53.050 0.010 0.000 0.856 96 N CB -0.091 38.404 38.487 0.012 0.000 0.997 96 N HN 0.359 nan 8.380 nan 0.000 0.429 97 K N 0.441 120.845 120.400 0.006 0.000 2.432 97 K HA 0.149 4.469 4.320 0.000 0.000 0.196 97 K C 1.692 178.293 176.600 0.002 0.000 1.038 97 K CA 0.401 56.691 56.287 0.005 0.000 0.986 97 K CB 0.270 32.771 32.500 0.001 0.000 0.782 97 K HN 0.108 nan 8.250 nan 0.000 0.485 98 L N 0.156 121.378 121.223 -0.001 0.000 2.189 98 L HA 0.070 4.410 4.340 0.000 0.000 0.199 98 L C 2.407 179.279 176.870 0.004 0.000 1.074 98 L CA 0.861 55.697 54.840 -0.005 0.000 0.783 98 L CB -1.134 40.917 42.059 -0.014 0.000 0.955 98 L HN 0.310 nan 8.230 nan 0.000 0.460 99 G N 0.958 109.762 108.800 0.007 0.000 2.913 99 G HA2 -0.486 3.474 3.960 0.000 0.000 0.285 99 G HA3 -0.486 3.474 3.960 0.000 0.000 0.285 99 G C 1.578 176.492 174.900 0.023 0.000 1.081 99 G CA 2.049 47.157 45.100 0.014 0.000 0.784 99 G HN 0.515 nan 8.290 nan 0.000 0.705 100 A N 0.148 122.981 122.820 0.022 0.000 1.849 100 A HA -0.028 4.292 4.320 0.000 0.000 0.217 100 A C 2.461 180.070 177.584 0.041 0.000 1.202 100 A CA 2.394 54.448 52.037 0.028 0.000 0.629 100 A CB -0.719 18.295 19.000 0.022 0.000 0.834 100 A HN 0.810 nan 8.150 nan 0.000 0.447 101 L N 0.313 121.558 121.223 0.036 0.000 2.127 101 L HA -0.185 4.155 4.340 0.000 0.000 0.211 101 L C 2.205 179.127 176.870 0.087 0.000 1.089 101 L CA 2.818 57.690 54.840 0.052 0.000 0.757 101 L CB -0.876 41.195 42.059 0.020 0.000 0.899 101 L HN 0.668 nan 8.230 nan 0.000 0.434 102 K N -1.183 119.256 120.400 0.066 0.000 2.217 102 K HA -0.119 4.201 4.320 0.000 0.000 0.202 102 K C 1.698 178.383 176.600 0.141 0.000 1.051 102 K CA 1.462 57.805 56.287 0.093 0.000 0.952 102 K CB 0.114 32.637 32.500 0.038 0.000 0.736 102 K HN 0.291 nan 8.250 nan 0.000 0.453 103 T N 1.541 116.152 114.554 0.095 0.000 2.643 103 T HA -0.068 4.282 4.350 0.000 0.000 0.256 103 T C 1.370 176.125 174.700 0.093 0.000 1.061 103 T CA 1.560 63.706 62.100 0.078 0.000 1.163 103 T CB -0.414 68.484 68.868 0.051 0.000 0.865 103 T HN 0.333 nan 8.240 nan 0.000 0.407 104 N N 0.711 119.466 118.700 0.093 0.000 2.405 104 N HA -0.069 4.671 4.740 0.000 0.000 0.189 104 N C 1.180 176.765 175.510 0.126 0.000 1.021 104 N CA 0.750 53.856 53.050 0.093 0.000 0.891 104 N CB -0.328 38.212 38.487 0.087 0.000 0.955 104 N HN 0.399 nan 8.380 nan 0.000 0.443 105 F N 0.896 120.869 119.950 0.037 0.000 2.315 105 F HA 0.185 4.712 4.527 0.000 0.000 0.284 105 F C 2.051 177.908 175.800 0.096 0.000 1.049 105 F CA 0.463 58.494 58.000 0.051 0.000 1.323 105 F CB -0.237 38.764 39.000 0.002 0.000 1.113 105 F HN -0.112 nan 8.300 nan 0.000 0.544 106 E N -0.232 120.013 120.200 0.075 0.000 2.233 106 E HA -0.228 4.122 4.350 0.000 0.000 0.199 106 E C 1.905 178.517 176.600 0.021 0.000 1.004 106 E CA 1.870 58.296 56.400 0.043 0.000 0.819 106 E CB -0.118 29.643 29.700 0.101 0.000 0.738 106 E HN 0.417 nan 8.360 nan 0.000 0.478 107 T N 0.280 114.833 114.554 -0.001 0.000 2.668 107 T HA -0.099 4.251 4.350 0.000 0.000 0.258 107 T C 1.447 176.125 174.700 -0.037 0.000 1.051 107 T CA 0.770 62.867 62.100 -0.006 0.000 1.155 107 T CB -0.102 68.771 68.868 0.009 0.000 0.864 107 T HN 0.146 nan 8.240 nan 0.000 0.413 108 E N 0.037 120.196 120.200 -0.068 0.000 2.455 108 E HA -0.126 4.224 4.350 0.000 0.000 0.202 108 E C 1.625 178.173 176.600 -0.087 0.000 1.045 108 E CA 0.485 56.839 56.400 -0.076 0.000 0.872 108 E CB -0.030 29.641 29.700 -0.048 0.000 0.792 108 E HN 0.671 nan 8.360 nan 0.000 0.542 109 W N 0.995 122.092 121.300 -0.338 0.000 2.762 109 W HA 0.041 4.701 4.660 0.000 0.000 0.265 109 W C 1.116 177.534 176.519 -0.169 0.000 1.263 109 W CA 0.173 57.326 57.345 -0.322 0.000 1.411 109 W CB 0.278 29.428 29.460 -0.516 0.000 1.065 109 W HN 0.004 nan 8.180 nan 0.000 0.609 110 N N 1.429 120.005 118.700 -0.206 0.000 2.336 110 N HA -0.060 4.680 4.740 0.000 0.000 0.177 110 N C 1.667 177.048 175.510 -0.214 0.000 1.018 110 N CA 0.787 53.691 53.050 -0.244 0.000 0.878 110 N CB -0.781 37.638 38.487 -0.113 0.000 0.997 110 N HN 0.181 nan 8.380 nan 0.000 0.433 111 L N 0.859 121.994 121.223 -0.147 0.000 2.963 111 L HA -0.088 4.252 4.340 0.000 0.000 0.255 111 L C 0.096 176.869 176.870 -0.160 0.000 1.177 111 L CA 0.774 55.538 54.840 -0.127 0.000 0.865 111 L CB -0.924 41.086 42.059 -0.081 0.000 1.073 111 L HN 0.102 nan 8.230 nan 0.000 0.460 112 Q N 0.243 119.889 119.800 -0.256 0.000 2.337 112 Q HA 0.401 4.741 4.340 0.000 0.000 0.270 112 Q C -0.406 175.399 176.000 -0.324 0.000 1.043 112 Q CA -0.369 55.243 55.803 -0.319 0.000 0.794 112 Q CB 2.203 30.648 28.738 -0.489 0.000 1.281 112 Q HN 0.170 nan 8.270 nan 0.000 0.446 113 T N 0.761 115.176 114.554 -0.230 0.000 2.912 113 T HA 0.841 5.191 4.350 0.000 0.000 0.288 113 T C -0.221 174.379 174.700 -0.167 0.000 1.030 113 T CA -0.845 61.138 62.100 -0.196 0.000 1.020 113 T CB 0.976 69.769 68.868 -0.126 0.000 1.056 113 T HN 0.787 nan 8.240 nan 0.000 0.480 114 L N 0.000 121.137 121.223 -0.143 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.784 54.840 -0.094 0.000 0.813 114 L CB 0.000 42.030 42.059 -0.048 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502