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 1ean_1_A DATA FIRST_RESID 60 DATA SEQUENCE GELVRTDSPN FLSSVLPTHW RSNKTLPIAF KVVALGDVPD GTLVTVMAGN DATA SEQUENCE DENYSAELRN ATAAMKNQVA RFNDLRFVGR SGRGKSFTLT ITVFTNPPQV DATA SEQUENCE ATYHRAIKIT VDGP 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 60 G HA2 0.000 nan 3.960 nan 0.000 0.244 60 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 60 G C 0.000 174.909 174.900 0.015 0.000 0.946 60 G CA 0.000 45.108 45.100 0.014 0.000 0.502 61 E N 1.185 121.397 120.200 0.020 0.000 2.415 61 E HA 0.346 4.696 4.350 -0.000 0.000 0.263 61 E C -0.286 176.330 176.600 0.028 0.000 0.995 61 E CA 0.089 56.502 56.400 0.021 0.000 0.915 61 E CB 0.381 30.096 29.700 0.025 0.000 0.951 61 E HN 0.221 nan 8.360 nan 0.000 0.449 62 L N 4.532 125.765 121.223 0.017 0.000 2.334 62 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 62 L C -0.267 176.606 176.870 0.004 0.000 1.013 62 L CA -1.043 53.809 54.840 0.020 0.000 0.816 62 L CB 1.662 43.727 42.059 0.010 0.000 1.278 62 L HN 0.405 nan 8.230 nan 0.000 0.431 63 V N -1.084 118.836 119.914 0.010 0.000 3.074 63 V HA 0.644 4.764 4.120 -0.000 0.000 0.314 63 V C -0.343 175.722 176.094 -0.048 0.000 1.117 63 V CA -1.247 61.012 62.300 -0.070 0.000 1.014 63 V CB 1.836 33.551 31.823 -0.180 0.000 1.057 63 V HN 0.625 nan 8.190 nan 0.000 0.438 64 R N 1.597 122.036 120.500 -0.101 0.000 2.582 64 R HA 0.506 4.845 4.340 -0.000 0.000 0.271 64 R C 0.450 176.743 176.300 -0.013 0.000 1.078 64 R CA 0.299 56.373 56.100 -0.044 0.000 1.127 64 R CB 0.834 31.098 30.300 -0.059 0.000 1.038 64 R HN 1.115 nan 8.270 nan 0.000 0.500 65 T N -2.728 111.863 114.554 0.061 0.000 2.893 65 T HA 0.116 4.466 4.350 -0.000 0.000 0.279 65 T C 0.749 175.489 174.700 0.067 0.000 0.991 65 T CA -0.665 61.489 62.100 0.091 0.000 0.950 65 T CB 0.846 69.812 68.868 0.164 0.000 1.223 65 T HN 0.549 nan 8.240 nan 0.000 0.585 66 D N -0.547 119.896 120.400 0.071 0.000 2.324 66 D HA 0.096 4.736 4.640 -0.000 0.000 0.235 66 D C 0.371 176.712 176.300 0.067 0.000 1.095 66 D CA -0.207 53.825 54.000 0.053 0.000 0.871 66 D CB -0.309 40.517 40.800 0.043 0.000 0.906 66 D HN 0.377 nan 8.370 nan 0.000 0.522 67 S N 0.695 116.458 115.700 0.105 0.000 2.473 67 S HA 0.418 4.888 4.470 -0.000 0.000 0.307 67 S C -2.020 172.635 174.600 0.091 0.000 1.094 67 S CA -1.492 56.783 58.200 0.124 0.000 1.070 67 S CB 1.951 65.293 63.200 0.237 0.000 1.019 67 S HN -0.184 nan 8.310 nan 0.000 0.480 68 P HA 0.026 nan 4.420 nan 0.000 0.234 68 P C 0.325 177.578 177.300 -0.078 0.000 1.167 68 P CA 0.632 63.724 63.100 -0.013 0.000 0.763 68 P CB 0.018 31.707 31.700 -0.019 0.000 0.835 69 N N -0.865 117.759 118.700 -0.127 0.000 2.353 69 N HA 0.091 4.831 4.740 -0.000 0.000 0.185 69 N C -0.167 174.819 175.510 -0.874 0.000 1.098 69 N CA 0.486 53.261 53.050 -0.458 0.000 0.872 69 N CB 0.104 38.284 38.487 -0.511 0.000 0.970 69 N HN 0.208 nan 8.380 nan 0.000 0.467 70 F N 0.204 120.161 119.950 0.012 0.000 2.591 70 F HA 0.495 5.022 4.527 -0.000 0.000 0.309 70 F C -0.074 175.739 175.800 0.022 0.000 1.098 70 F CA -0.798 57.214 58.000 0.020 0.000 0.937 70 F CB 1.631 40.653 39.000 0.036 0.000 1.250 70 F HN -0.356 nan 8.300 nan 0.000 0.447 71 L N 1.548 122.885 121.223 0.189 0.000 2.286 71 L HA 0.871 5.211 4.340 -0.000 0.000 0.265 71 L C -0.220 176.725 176.870 0.126 0.000 1.012 71 L CA -0.841 54.070 54.840 0.118 0.000 0.818 71 L CB 2.297 44.387 42.059 0.052 0.000 1.337 71 L HN 0.758 nan 8.230 nan 0.000 0.438 72 S N -1.178 114.588 115.700 0.110 0.000 2.651 72 S HA 0.624 5.094 4.470 -0.000 0.000 0.279 72 S C -0.527 174.117 174.600 0.073 0.000 1.148 72 S CA -0.590 57.644 58.200 0.056 0.000 0.837 72 S CB 1.619 64.975 63.200 0.260 0.000 1.138 72 S HN 0.684 nan 8.310 nan 0.000 0.478 73 S N 0.289 115.973 115.700 -0.027 0.000 2.640 73 S HA 0.643 5.113 4.470 -0.000 0.000 0.262 73 S C -0.109 174.680 174.600 0.315 0.000 1.232 73 S CA -0.644 57.608 58.200 0.087 0.000 0.988 73 S CB 0.142 63.351 63.200 0.015 0.000 1.034 73 S HN 0.926 nan 8.310 nan 0.000 0.569 74 V N 1.413 121.486 119.914 0.264 0.000 2.427 74 V HA 0.421 4.541 4.120 -0.000 0.000 0.286 74 V C -0.035 176.187 176.094 0.213 0.000 1.034 74 V CA -0.616 61.883 62.300 0.331 0.000 0.893 74 V CB 0.752 32.702 31.823 0.211 0.000 0.982 74 V HN 0.714 nan 8.190 nan 0.000 0.452 75 L N 5.644 126.976 121.223 0.181 0.000 2.358 75 L HA 0.574 4.914 4.340 -0.000 0.000 0.268 75 L C -2.117 174.695 176.870 -0.097 0.000 1.032 75 L CA -1.864 52.910 54.840 -0.109 0.000 0.805 75 L CB 1.564 43.351 42.059 -0.454 0.000 1.253 75 L HN 0.450 nan 8.230 nan 0.000 0.452 76 P HA 0.080 nan 4.420 nan 0.000 0.272 76 P C 0.391 177.661 177.300 -0.050 0.000 1.223 76 P CA -0.351 62.671 63.100 -0.130 0.000 0.784 76 P CB 0.552 32.132 31.700 -0.200 0.000 0.923 77 T N -2.787 111.790 114.554 0.038 0.000 2.985 77 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 77 T C 0.448 175.202 174.700 0.090 0.000 1.076 77 T CA 0.922 63.048 62.100 0.044 0.000 1.135 77 T CB -0.510 68.395 68.868 0.062 0.000 0.890 77 T HN 0.615 nan 8.240 nan 0.000 0.480 78 H N -1.338 117.750 119.070 0.030 0.000 2.966 78 H HA 0.440 4.996 4.556 -0.000 0.000 0.347 78 H C -2.060 173.404 175.328 0.227 0.000 1.048 78 H CA -1.233 54.846 56.048 0.050 0.000 1.295 78 H CB 1.493 31.269 29.762 0.024 0.000 1.744 78 H HN 0.332 nan 8.280 nan 0.000 0.513 79 W N 5.551 126.850 121.300 -0.002 0.000 3.062 79 W HA 0.325 4.985 4.660 -0.000 0.000 0.336 79 W C -1.193 175.293 176.519 -0.056 0.000 1.224 79 W CA -0.975 56.305 57.345 -0.108 0.000 1.159 79 W CB 2.305 31.711 29.460 -0.091 0.000 1.454 79 W HN 0.558 nan 8.180 nan 0.000 0.569 80 R N 2.462 122.625 120.500 -0.562 0.000 2.340 80 R HA 0.195 4.534 4.340 -0.000 0.000 0.300 80 R C 0.171 176.419 176.300 -0.087 0.000 1.069 80 R CA 0.074 55.964 56.100 -0.350 0.000 0.984 80 R CB 1.299 31.289 30.300 -0.517 0.000 1.003 80 R HN 0.367 nan 8.270 nan 0.000 0.459 81 S N 3.550 119.258 115.700 0.014 0.000 2.626 81 S HA -0.090 4.380 4.470 -0.000 0.000 0.303 81 S C 0.552 175.197 174.600 0.076 0.000 1.256 81 S CA 0.853 59.109 58.200 0.093 0.000 1.069 81 S CB -0.098 63.144 63.200 0.069 0.000 0.807 81 S HN 0.946 nan 8.310 nan 0.000 0.500 82 N N 1.430 120.210 118.700 0.134 0.000 2.909 82 N HA -0.203 4.537 4.740 -0.000 0.000 0.242 82 N C -0.414 175.163 175.510 0.112 0.000 0.975 82 N CA 1.629 54.742 53.050 0.105 0.000 0.921 82 N CB -1.174 37.349 38.487 0.060 0.000 1.112 82 N HN 0.813 nan 8.380 nan 0.000 0.581 83 K N 0.615 121.099 120.400 0.140 0.000 2.205 83 K HA 0.285 4.604 4.320 -0.000 0.000 0.279 83 K C -0.361 176.474 176.600 0.392 0.000 1.027 83 K CA -0.183 56.200 56.287 0.161 0.000 0.932 83 K CB 0.532 32.985 32.500 -0.079 0.000 1.032 83 K HN 0.083 nan 8.250 nan 0.000 0.466 84 T N 4.311 119.040 114.554 0.293 0.000 2.933 84 T HA -0.001 4.349 4.350 -0.000 0.000 0.306 84 T C 0.451 175.385 174.700 0.390 0.000 1.045 84 T CA 0.023 62.286 62.100 0.271 0.000 1.143 84 T CB 0.124 69.099 68.868 0.178 0.000 1.003 84 T HN 0.404 nan 8.240 nan 0.000 0.540 85 L N 5.712 127.026 121.223 0.152 0.000 2.436 85 L HA 0.201 4.541 4.340 -0.000 0.000 0.265 85 L C -0.618 176.177 176.870 -0.125 0.000 1.168 85 L CA -1.694 53.048 54.840 -0.163 0.000 0.815 85 L CB 0.424 42.371 42.059 -0.187 0.000 1.109 85 L HN 0.530 nan 8.230 nan 0.000 0.462 86 P HA -0.000 nan 4.420 nan 0.000 0.221 86 P C 0.156 177.407 177.300 -0.082 0.000 1.150 86 P CA 1.249 64.265 63.100 -0.140 0.000 0.800 86 P CB 0.504 32.064 31.700 -0.233 0.000 0.787 87 I N -0.233 120.271 120.570 -0.110 0.000 2.468 87 I HA 0.368 4.538 4.170 -0.000 0.000 0.285 87 I C -0.046 176.078 176.117 0.013 0.000 1.039 87 I CA -1.407 59.875 61.300 -0.029 0.000 1.074 87 I CB 1.988 39.977 38.000 -0.018 0.000 1.228 87 I HN -0.173 nan 8.210 nan 0.000 0.436 88 A N 5.956 128.804 122.820 0.047 0.000 2.565 88 A HA 0.100 4.420 4.320 -0.000 0.000 0.237 88 A C -0.517 177.159 177.584 0.153 0.000 1.053 88 A CA 0.362 52.457 52.037 0.098 0.000 0.755 88 A CB -0.024 19.031 19.000 0.092 0.000 0.980 88 A HN 0.545 nan 8.150 nan 0.000 0.506 89 F N 2.142 122.106 119.950 0.024 0.000 2.443 89 F HA 0.468 4.995 4.527 -0.000 0.000 0.353 89 F C 0.470 176.369 175.800 0.165 0.000 1.101 89 F CA 0.208 58.205 58.000 -0.004 0.000 1.226 89 F CB 0.724 39.593 39.000 -0.218 0.000 1.140 89 F HN 0.557 nan 8.300 nan 0.000 0.557 90 K N 4.211 124.261 120.400 -0.582 0.000 2.426 90 K HA 0.684 5.004 4.320 -0.000 0.000 0.251 90 K C -1.714 174.542 176.600 -0.573 0.000 0.941 90 K CA -1.084 55.007 56.287 -0.328 0.000 0.808 90 K CB 2.725 35.142 32.500 -0.138 0.000 1.265 90 K HN 0.342 nan 8.250 nan 0.000 0.432 91 V N 2.227 122.032 119.914 -0.181 0.000 2.540 91 V HA 0.382 4.502 4.120 -0.000 0.000 0.302 91 V C -0.809 175.318 176.094 0.054 0.000 1.035 91 V CA -0.879 61.383 62.300 -0.063 0.000 0.873 91 V CB 1.943 33.808 31.823 0.069 0.000 0.992 91 V HN 0.468 nan 8.190 nan 0.000 0.428 92 V N 3.799 123.778 119.914 0.108 0.000 2.448 92 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 92 V C 0.356 176.557 176.094 0.177 0.000 1.025 92 V CA -0.645 61.719 62.300 0.106 0.000 0.859 92 V CB 1.781 33.630 31.823 0.044 0.000 0.988 92 V HN 0.979 nan 8.190 nan 0.000 0.431 93 A N 4.795 127.697 122.820 0.137 0.000 2.301 93 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 93 A C 0.670 178.176 177.584 -0.130 0.000 1.185 93 A CA -0.358 51.666 52.037 -0.022 0.000 0.830 93 A CB 0.529 19.571 19.000 0.071 0.000 1.112 93 A HN 0.905 nan 8.150 nan 0.000 0.508 94 L N 2.663 123.729 121.223 -0.262 0.000 2.354 94 L HA 0.151 4.491 4.340 -0.000 0.000 0.212 94 L C 1.688 178.458 176.870 -0.167 0.000 1.091 94 L CA 0.579 55.316 54.840 -0.172 0.000 0.828 94 L CB -0.381 41.575 42.059 -0.171 0.000 0.973 94 L HN 0.811 nan 8.230 nan 0.000 0.461 95 G N -0.929 107.724 108.800 -0.245 0.000 2.557 95 G HA2 0.071 4.031 3.960 -0.000 0.000 0.292 95 G HA3 0.071 4.031 3.960 -0.000 0.000 0.292 95 G C -1.028 173.807 174.900 -0.108 0.000 1.237 95 G CA -0.287 44.708 45.100 -0.175 0.000 0.978 95 G HN -0.073 nan 8.290 nan 0.000 0.498 96 D N -0.109 120.254 120.400 -0.063 0.000 2.428 96 D HA 0.357 4.997 4.640 -0.000 0.000 0.221 96 D C -0.518 175.781 176.300 -0.001 0.000 1.123 96 D CA -0.093 53.891 54.000 -0.028 0.000 0.869 96 D CB 0.999 41.787 40.800 -0.020 0.000 1.032 96 D HN -0.043 nan 8.370 nan 0.000 0.506 97 V N 5.826 125.751 119.914 0.018 0.000 2.459 97 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 97 V C -1.966 174.154 176.094 0.045 0.000 1.029 97 V CA -1.747 60.587 62.300 0.055 0.000 0.874 97 V CB 1.906 33.799 31.823 0.117 0.000 0.985 97 V HN 0.462 nan 8.190 nan 0.000 0.438 98 P HA 0.143 nan 4.420 nan 0.000 0.269 98 P C -0.632 176.686 177.300 0.030 0.000 1.209 98 P CA -0.338 62.781 63.100 0.031 0.000 0.776 98 P CB 0.377 32.096 31.700 0.031 0.000 0.876 99 D N 1.067 121.477 120.400 0.018 0.000 2.449 99 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 99 D C 1.658 177.964 176.300 0.010 0.000 1.149 99 D CA 1.725 55.731 54.000 0.011 0.000 0.878 99 D CB -0.004 40.798 40.800 0.003 0.000 1.198 99 D HN 0.674 nan 8.370 nan 0.000 0.446 100 G N 1.513 110.315 108.800 0.003 0.000 2.199 100 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.254 100 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.254 100 G C 0.600 175.506 174.900 0.011 0.000 0.982 100 G CA 0.425 45.523 45.100 -0.002 0.000 0.632 100 G HN 0.607 nan 8.290 nan 0.000 0.529 101 T N 2.466 117.039 114.554 0.032 0.000 2.831 101 T HA 0.411 4.761 4.350 -0.000 0.000 0.291 101 T C 1.041 175.781 174.700 0.066 0.000 0.981 101 T CA 0.158 62.298 62.100 0.066 0.000 1.174 101 T CB 0.633 69.552 68.868 0.086 0.000 0.929 101 T HN 0.368 nan 8.240 nan 0.000 0.532 102 L N 3.689 124.972 121.223 0.100 0.000 2.417 102 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 102 L C -0.060 176.951 176.870 0.234 0.000 1.158 102 L CA -0.600 54.297 54.840 0.095 0.000 0.819 102 L CB 0.669 42.730 42.059 0.004 0.000 1.112 102 L HN 0.322 nan 8.230 nan 0.000 0.458 103 V N 0.545 120.552 119.914 0.155 0.000 2.686 103 V HA 0.525 4.645 4.120 -0.000 0.000 0.306 103 V C -0.108 176.162 176.094 0.293 0.000 1.065 103 V CA -0.615 61.811 62.300 0.210 0.000 0.894 103 V CB 2.113 34.008 31.823 0.120 0.000 1.004 103 V HN 0.920 nan 8.190 nan 0.000 0.424 104 T N 1.083 115.864 114.554 0.379 0.000 2.916 104 T HA 0.874 5.224 4.350 -0.000 0.000 0.292 104 T C -0.882 173.978 174.700 0.266 0.000 1.055 104 T CA -0.801 61.516 62.100 0.362 0.000 1.009 104 T CB 2.038 71.092 68.868 0.310 0.000 1.118 104 T HN 0.367 nan 8.240 nan 0.000 0.497 105 V N 2.156 122.160 119.914 0.151 0.000 2.680 105 V HA 0.660 4.780 4.120 -0.000 0.000 0.309 105 V C -0.362 175.682 176.094 -0.083 0.000 1.052 105 V CA -0.897 61.379 62.300 -0.040 0.000 0.908 105 V CB 1.743 33.395 31.823 -0.285 0.000 1.001 105 V HN 0.953 nan 8.190 nan 0.000 0.431 106 M N 3.085 122.622 119.600 -0.105 0.000 2.457 106 M HA 0.810 5.290 4.480 -0.000 0.000 0.300 106 M C -0.622 175.568 176.300 -0.184 0.000 1.141 106 M CA -0.510 54.703 55.300 -0.145 0.000 0.901 106 M CB 2.457 34.983 32.600 -0.123 0.000 1.687 106 M HN 0.699 nan 8.290 nan 0.000 0.449 107 A N 1.427 124.092 122.820 -0.258 0.000 2.342 107 A HA 1.022 5.342 4.320 -0.000 0.000 0.323 107 A C -0.333 176.955 177.584 -0.494 0.000 1.125 107 A CA -0.458 51.383 52.037 -0.327 0.000 0.785 107 A CB 1.440 20.213 19.000 -0.377 0.000 1.221 107 A HN 0.965 nan 8.150 nan 0.000 0.463 108 G N 0.823 109.421 108.800 -0.336 0.000 2.559 108 G HA2 0.623 4.583 3.960 -0.000 0.000 0.291 108 G HA3 0.623 4.583 3.960 -0.000 0.000 0.291 108 G C -1.428 173.538 174.900 0.111 0.000 1.424 108 G CA -0.123 44.850 45.100 -0.211 0.000 0.786 108 G HN 1.448 nan 8.290 nan 0.000 0.485 109 N N -2.036 116.755 118.700 0.153 0.000 3.364 109 N HA 0.307 5.047 4.740 -0.000 0.000 0.294 109 N C -0.156 175.421 175.510 0.111 0.000 1.562 109 N CA -0.482 52.661 53.050 0.155 0.000 0.862 109 N CB 0.301 38.911 38.487 0.206 0.000 1.691 109 N HN 0.220 nan 8.380 nan 0.000 0.572 110 D N -0.245 120.208 120.400 0.089 0.000 2.144 110 D HA -0.133 4.506 4.640 -0.000 0.000 0.200 110 D C 0.868 177.221 176.300 0.088 0.000 0.978 110 D CA 1.234 55.282 54.000 0.081 0.000 0.833 110 D CB 0.056 40.889 40.800 0.055 0.000 0.961 110 D HN 0.771 nan 8.370 nan 0.000 0.470 111 E N -0.203 120.051 120.200 0.090 0.000 2.481 111 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 111 E C -0.124 176.548 176.600 0.120 0.000 1.047 111 E CA 0.144 56.599 56.400 0.091 0.000 0.867 111 E CB 0.307 30.052 29.700 0.075 0.000 0.858 111 E HN -0.061 nan 8.360 nan 0.000 0.513 112 N N -0.415 118.375 118.700 0.149 0.000 2.747 112 N HA -0.035 4.705 4.740 -0.000 0.000 0.262 112 N C -0.685 174.894 175.510 0.115 0.000 1.261 112 N CA -0.335 52.803 53.050 0.147 0.000 0.809 112 N CB 0.043 38.650 38.487 0.200 0.000 1.450 112 N HN 0.018 nan 8.380 nan 0.000 0.560 113 Y N 2.487 122.795 120.300 0.015 0.000 2.256 113 Y HA 0.009 4.559 4.550 -0.000 0.000 0.288 113 Y C 0.470 176.342 175.900 -0.046 0.000 1.155 113 Y CA 1.614 59.711 58.100 -0.006 0.000 1.203 113 Y CB 0.456 38.915 38.460 -0.000 0.000 0.980 113 Y HN 0.406 nan 8.280 nan 0.000 0.530 114 S N 0.077 115.778 115.700 0.001 0.000 2.446 114 S HA 0.646 5.116 4.470 -0.000 0.000 0.230 114 S C -0.781 173.742 174.600 -0.129 0.000 1.051 114 S CA -0.481 57.650 58.200 -0.114 0.000 1.113 114 S CB -0.334 62.873 63.200 0.013 0.000 1.184 114 S HN 0.519 nan 8.310 nan 0.000 0.435 115 A N 2.832 125.472 122.820 -0.299 0.000 2.386 115 A HA 0.511 4.831 4.320 -0.000 0.000 0.248 115 A C 0.318 177.790 177.584 -0.187 0.000 1.082 115 A CA -0.346 51.520 52.037 -0.285 0.000 0.789 115 A CB 0.231 18.805 19.000 -0.710 0.000 1.025 115 A HN 0.829 nan 8.150 nan 0.000 0.490 116 E N 0.657 120.808 120.200 -0.081 0.000 2.344 116 E HA 0.415 4.765 4.350 -0.000 0.000 0.270 116 E C -0.965 175.584 176.600 -0.085 0.000 1.021 116 E CA 0.029 56.394 56.400 -0.059 0.000 0.887 116 E CB 0.257 29.951 29.700 -0.010 0.000 0.997 116 E HN 0.519 nan 8.360 nan 0.000 0.429 117 L N 3.194 124.343 121.223 -0.122 0.000 2.283 117 L HA 0.640 4.980 4.340 -0.000 0.000 0.259 117 L C -0.349 176.446 176.870 -0.125 0.000 1.027 117 L CA -1.272 53.454 54.840 -0.189 0.000 0.828 117 L CB 1.893 43.769 42.059 -0.305 0.000 1.380 117 L HN 0.398 nan 8.230 nan 0.000 0.425 118 R N 0.774 121.192 120.500 -0.138 0.000 2.599 118 R HA 0.430 4.770 4.340 -0.000 0.000 0.295 118 R C -0.813 175.452 176.300 -0.059 0.000 0.963 118 R CA -0.495 55.562 56.100 -0.072 0.000 0.883 118 R CB 0.859 31.137 30.300 -0.037 0.000 1.171 118 R HN 0.640 nan 8.270 nan 0.000 0.450 119 N N 1.933 120.626 118.700 -0.011 0.000 2.727 119 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 119 N C -0.753 174.829 175.510 0.121 0.000 1.040 119 N CA 1.101 54.176 53.050 0.041 0.000 0.712 119 N CB -1.063 37.455 38.487 0.051 0.000 0.912 119 N HN 0.645 nan 8.380 nan 0.000 0.545 120 A N -0.919 121.955 122.820 0.089 0.000 2.462 120 A HA 0.300 4.620 4.320 -0.000 0.000 0.261 120 A C 0.566 178.360 177.584 0.349 0.000 1.323 120 A CA 0.360 52.496 52.037 0.166 0.000 0.913 120 A CB 0.437 19.422 19.000 -0.024 0.000 1.028 120 A HN 0.216 nan 8.150 nan 0.000 0.511 121 T N 0.343 115.028 114.554 0.219 0.000 2.861 121 T HA 0.700 5.050 4.350 -0.000 0.000 0.287 121 T C -0.252 174.287 174.700 -0.268 0.000 1.003 121 T CA 0.148 62.278 62.100 0.049 0.000 0.977 121 T CB 1.697 70.557 68.868 -0.014 0.000 0.996 121 T HN 0.579 nan 8.240 nan 0.000 0.448 122 A N 1.743 124.235 122.820 -0.547 0.000 2.530 122 A HA 1.023 5.343 4.320 -0.000 0.000 0.288 122 A C -1.287 176.100 177.584 -0.328 0.000 1.172 122 A CA -0.929 50.718 52.037 -0.650 0.000 0.733 122 A CB 1.372 19.554 19.000 -1.363 0.000 1.320 122 A HN 1.124 nan 8.150 nan 0.000 0.419 123 A N 0.582 123.260 122.820 -0.237 0.000 2.386 123 A HA 0.687 5.006 4.320 -0.000 0.000 0.311 123 A C -0.338 177.194 177.584 -0.088 0.000 1.068 123 A CA -0.607 51.359 52.037 -0.118 0.000 0.743 123 A CB 0.872 19.822 19.000 -0.083 0.000 1.258 123 A HN 0.744 nan 8.150 nan 0.000 0.429 124 M N 1.585 121.165 119.600 -0.034 0.000 2.239 124 M HA 0.256 4.736 4.480 -0.000 0.000 0.348 124 M C -0.172 176.121 176.300 -0.011 0.000 1.239 124 M CA 0.419 55.715 55.300 -0.007 0.000 1.114 124 M CB 0.444 33.064 32.600 0.033 0.000 1.641 124 M HN 0.677 nan 8.290 nan 0.000 0.453 125 K N 3.533 123.927 120.400 -0.010 0.000 2.601 125 K HA 0.294 4.614 4.320 -0.000 0.000 0.249 125 K C -0.714 175.885 176.600 -0.002 0.000 0.966 125 K CA -0.182 56.100 56.287 -0.008 0.000 0.827 125 K CB 0.638 33.128 32.500 -0.016 0.000 1.178 125 K HN 0.609 nan 8.250 nan 0.000 0.437 126 N N 4.685 123.387 118.700 0.002 0.000 2.725 126 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 126 N C -0.832 174.682 175.510 0.006 0.000 1.031 126 N CA 1.395 54.446 53.050 0.002 0.000 0.720 126 N CB -0.646 37.841 38.487 -0.001 0.000 0.930 126 N HN 0.808 nan 8.380 nan 0.000 0.543 127 Q N -5.167 114.642 119.800 0.015 0.000 2.374 127 Q HA -0.200 4.140 4.340 -0.000 0.000 0.218 127 Q C -0.429 175.593 176.000 0.036 0.000 0.691 127 Q CA 1.303 57.122 55.803 0.027 0.000 1.340 127 Q CB -2.072 26.672 28.738 0.010 0.000 1.498 127 Q HN 0.449 nan 8.270 nan 0.000 0.739 128 V N 0.141 120.068 119.914 0.021 0.000 2.540 128 V HA 0.807 4.926 4.120 -0.000 0.000 0.302 128 V C 0.048 176.141 176.094 -0.001 0.000 1.035 128 V CA -0.358 61.951 62.300 0.016 0.000 0.873 128 V CB 2.019 33.844 31.823 0.003 0.000 0.992 128 V HN 0.258 nan 8.190 nan 0.000 0.428 129 A N 4.974 127.792 122.820 -0.003 0.000 2.273 129 A HA 0.681 5.001 4.320 -0.000 0.000 0.320 129 A C -0.033 177.512 177.584 -0.064 0.000 1.358 129 A CA -0.549 51.448 52.037 -0.067 0.000 0.910 129 A CB 0.310 19.267 19.000 -0.072 0.000 1.159 129 A HN 0.816 nan 8.150 nan 0.000 0.526 130 R N 2.866 123.315 120.500 -0.085 0.000 2.255 130 R HA 0.481 4.821 4.340 -0.000 0.000 0.326 130 R C -1.532 174.743 176.300 -0.041 0.000 0.986 130 R CA -0.432 55.669 56.100 0.002 0.000 0.847 130 R CB 0.386 30.690 30.300 0.006 0.000 1.111 130 R HN 0.541 nan 8.270 nan 0.000 0.452 131 F N 3.831 123.797 119.950 0.027 0.000 2.445 131 F HA 0.086 4.613 4.527 -0.000 0.000 0.359 131 F C 1.581 177.403 175.800 0.037 0.000 1.101 131 F CA -0.321 57.709 58.000 0.051 0.000 1.177 131 F CB 0.899 39.969 39.000 0.116 0.000 1.110 131 F HN 0.626 nan 8.300 nan 0.000 0.522 132 N N 1.711 120.489 118.700 0.130 0.000 2.120 132 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 132 N C 0.256 175.825 175.510 0.099 0.000 1.024 132 N CA 1.670 54.771 53.050 0.085 0.000 0.852 132 N CB 0.065 38.575 38.487 0.038 0.000 1.003 132 N HN 0.622 nan 8.380 nan 0.000 0.424 133 D N -0.837 119.630 120.400 0.111 0.000 3.407 133 D HA 0.073 4.713 4.640 -0.000 0.000 0.291 133 D C -1.413 174.927 176.300 0.067 0.000 1.309 133 D CA -0.486 53.564 54.000 0.083 0.000 0.747 133 D CB -0.540 40.296 40.800 0.061 0.000 1.343 133 D HN 0.154 nan 8.370 nan 0.000 0.631 134 L N 1.539 122.809 121.223 0.078 0.000 2.513 134 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 134 L C -0.352 176.447 176.870 -0.118 0.000 1.187 134 L CA 0.845 55.651 54.840 -0.056 0.000 0.895 134 L CB 0.115 42.071 42.059 -0.173 0.000 1.147 134 L HN 0.153 nan 8.230 nan 0.000 0.483 135 R N 4.562 124.951 120.500 -0.185 0.000 2.744 135 R HA 0.429 4.769 4.340 -0.000 0.000 0.279 135 R C -1.424 174.715 176.300 -0.267 0.000 0.977 135 R CA -0.701 55.344 56.100 -0.091 0.000 0.906 135 R CB 1.484 31.806 30.300 0.037 0.000 1.197 135 R HN 0.434 nan 8.270 nan 0.000 0.463 136 F N 1.435 121.413 119.950 0.047 0.000 2.350 136 F HA 0.185 4.712 4.527 -0.000 0.000 0.365 136 F C 1.215 177.066 175.800 0.084 0.000 1.122 136 F CA -0.416 57.617 58.000 0.054 0.000 1.139 136 F CB 1.216 40.276 39.000 0.101 0.000 1.220 136 F HN 0.246 nan 8.300 nan 0.000 0.499 137 V N 2.330 122.333 119.914 0.147 0.000 2.436 137 V HA 0.121 4.241 4.120 -0.000 0.000 0.240 137 V C 1.635 177.819 176.094 0.151 0.000 1.040 137 V CA 0.767 63.137 62.300 0.118 0.000 1.052 137 V CB -0.787 31.066 31.823 0.049 0.000 0.707 137 V HN 0.788 nan 8.190 nan 0.000 0.469 138 G N 0.927 109.819 108.800 0.153 0.000 2.414 138 G HA2 0.269 4.229 3.960 -0.000 0.000 0.236 138 G HA3 0.269 4.229 3.960 -0.000 0.000 0.236 138 G C -0.192 174.922 174.900 0.357 0.000 1.293 138 G CA -0.122 45.101 45.100 0.205 0.000 0.869 138 G HN 0.393 nan 8.290 nan 0.000 0.556 139 R N 0.707 121.366 120.500 0.264 0.000 2.407 139 R HA 0.347 4.687 4.340 -0.000 0.000 0.303 139 R C 1.381 177.716 176.300 0.058 0.000 0.981 139 R CA -0.062 56.132 56.100 0.157 0.000 0.905 139 R CB 1.578 31.922 30.300 0.073 0.000 1.099 139 R HN 0.616 nan 8.270 nan 0.000 0.459 140 S N 1.090 116.605 115.700 -0.309 0.000 2.458 140 S HA 0.096 4.566 4.470 -0.000 0.000 0.223 140 S C 1.474 175.905 174.600 -0.283 0.000 1.019 140 S CA 0.178 57.990 58.200 -0.645 0.000 0.937 140 S CB -0.185 62.308 63.200 -1.177 0.000 0.788 140 S HN 0.916 nan 8.310 nan 0.000 0.511 141 G N 3.161 111.844 108.800 -0.194 0.000 2.690 141 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.334 141 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.334 141 G C -0.048 174.770 174.900 -0.137 0.000 1.250 141 G CA 0.367 45.395 45.100 -0.121 0.000 0.994 141 G HN 0.633 nan 8.290 nan 0.000 0.549 142 R N 2.212 122.655 120.500 -0.095 0.000 2.540 142 R HA 0.367 4.707 4.340 -0.000 0.000 0.317 142 R C 1.520 177.768 176.300 -0.088 0.000 1.233 142 R CA 0.944 56.995 56.100 -0.081 0.000 1.003 142 R CB -0.798 29.471 30.300 -0.051 0.000 1.034 142 R HN 1.960 nan 8.270 nan 0.000 0.483 143 G N 2.209 110.948 108.800 -0.103 0.000 2.168 143 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 143 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 143 G C -0.045 174.790 174.900 -0.108 0.000 0.997 143 G CA 0.497 45.540 45.100 -0.095 0.000 0.708 143 G HN 0.504 nan 8.290 nan 0.000 0.520 144 K N -0.893 119.417 120.400 -0.149 0.000 2.433 144 K HA 0.792 5.112 4.320 -0.000 0.000 0.252 144 K C -0.548 175.894 176.600 -0.264 0.000 1.015 144 K CA -0.637 55.549 56.287 -0.168 0.000 0.860 144 K CB 2.132 34.544 32.500 -0.147 0.000 1.359 144 K HN 0.113 nan 8.250 nan 0.000 0.452 145 S N -0.080 115.464 115.700 -0.261 0.000 2.671 145 S HA 0.642 5.112 4.470 -0.000 0.000 0.277 145 S C -1.609 172.839 174.600 -0.252 0.000 1.165 145 S CA -0.743 57.260 58.200 -0.328 0.000 0.822 145 S CB 0.724 63.812 63.200 -0.187 0.000 1.150 145 S HN 0.344 nan 8.310 nan 0.000 0.479 146 F N 1.357 121.267 119.950 -0.067 0.000 2.492 146 F HA 0.550 5.077 4.527 -0.000 0.000 0.327 146 F C 0.768 176.537 175.800 -0.052 0.000 1.079 146 F CA -0.790 57.179 58.000 -0.052 0.000 0.967 146 F CB 1.536 40.511 39.000 -0.042 0.000 1.169 146 F HN 0.307 nan 8.300 nan 0.000 0.472 147 T N 4.341 119.003 114.554 0.179 0.000 2.837 147 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 147 T C -0.220 174.507 174.700 0.045 0.000 0.984 147 T CA -0.487 61.663 62.100 0.083 0.000 1.049 147 T CB 0.473 69.366 68.868 0.042 0.000 0.947 147 T HN 0.258 nan 8.240 nan 0.000 0.472 148 L N 3.527 124.783 121.223 0.056 0.000 2.265 148 L HA 0.413 4.753 4.340 -0.000 0.000 0.289 148 L C 0.359 177.243 176.870 0.023 0.000 1.033 148 L CA -0.706 54.138 54.840 0.007 0.000 0.814 148 L CB 1.130 43.165 42.059 -0.040 0.000 1.203 148 L HN 0.568 nan 8.230 nan 0.000 0.423 149 T N 4.419 118.955 114.554 -0.030 0.000 2.767 149 T HA 0.561 4.911 4.350 -0.000 0.000 0.284 149 T C 0.030 174.720 174.700 -0.016 0.000 0.973 149 T CA -0.245 61.842 62.100 -0.022 0.000 0.996 149 T CB 1.262 70.094 68.868 -0.060 0.000 0.927 149 T HN 0.270 nan 8.240 nan 0.000 0.456 150 I N 3.012 123.582 120.570 0.000 0.000 2.336 150 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 150 I C 0.301 176.355 176.117 -0.105 0.000 0.991 150 I CA -0.452 60.846 61.300 -0.004 0.000 1.227 150 I CB 1.500 39.515 38.000 0.025 0.000 1.366 150 I HN 0.501 nan 8.210 nan 0.000 0.466 151 T N 5.728 120.219 114.554 -0.105 0.000 2.792 151 T HA 0.448 4.798 4.350 -0.000 0.000 0.280 151 T C -0.322 174.156 174.700 -0.370 0.000 0.990 151 T CA -0.480 61.441 62.100 -0.299 0.000 0.960 151 T CB 1.676 70.329 68.868 -0.358 0.000 0.939 151 T HN 0.152 nan 8.240 nan 0.000 0.439 152 V N 4.212 123.843 119.914 -0.472 0.000 2.347 152 V HA 0.351 4.471 4.120 -0.000 0.000 0.280 152 V C -0.377 175.517 176.094 -0.332 0.000 1.021 152 V CA -0.727 61.389 62.300 -0.307 0.000 0.847 152 V CB 0.645 32.258 31.823 -0.350 0.000 0.990 152 V HN 0.886 nan 8.190 nan 0.000 0.444 153 F N 3.519 123.466 119.950 -0.006 0.000 2.733 153 F HA 0.168 4.695 4.527 -0.000 0.000 0.344 153 F C 1.649 177.463 175.800 0.023 0.000 1.179 153 F CA -0.387 57.618 58.000 0.009 0.000 1.316 153 F CB -0.405 38.597 39.000 0.003 0.000 1.577 153 F HN 0.583 nan 8.300 nan 0.000 0.591 154 T N -2.531 112.078 114.554 0.092 0.000 2.698 154 T HA 0.085 4.435 4.350 -0.000 0.000 0.295 154 T C 0.162 174.912 174.700 0.083 0.000 1.007 154 T CA -0.842 61.312 62.100 0.091 0.000 0.980 154 T CB 0.887 69.806 68.868 0.084 0.000 1.036 154 T HN 0.199 nan 8.240 nan 0.000 0.526 155 N N 2.356 121.098 118.700 0.069 0.000 2.558 155 N HA 0.384 5.124 4.740 -0.000 0.000 0.242 155 N C -2.353 173.183 175.510 0.044 0.000 0.979 155 N CA -1.731 51.355 53.050 0.060 0.000 0.931 155 N CB 0.242 38.762 38.487 0.055 0.000 1.122 155 N HN 0.594 nan 8.380 nan 0.000 0.508 156 P HA 0.561 nan 4.420 nan 0.000 0.280 156 P C -2.890 174.418 177.300 0.014 0.000 1.272 156 P CA -1.405 61.715 63.100 0.034 0.000 0.819 156 P CB 0.170 31.885 31.700 0.025 0.000 1.122 157 P HA 0.179 nan 4.420 nan 0.000 0.269 157 P C -0.609 176.625 177.300 -0.111 0.000 1.215 157 P CA 0.178 63.195 63.100 -0.137 0.000 0.780 157 P CB 0.381 31.914 31.700 -0.279 0.000 0.898 158 Q N 0.108 119.821 119.800 -0.146 0.000 2.377 158 Q HA 0.642 4.982 4.340 -0.000 0.000 0.271 158 Q C -1.176 174.717 176.000 -0.178 0.000 1.077 158 Q CA -1.047 54.714 55.803 -0.070 0.000 0.820 158 Q CB 2.261 31.057 28.738 0.096 0.000 1.347 158 Q HN 0.119 nan 8.270 nan 0.000 0.444 159 V N 0.571 120.423 119.914 -0.103 0.000 2.769 159 V HA 0.923 5.043 4.120 -0.000 0.000 0.312 159 V C -0.950 175.107 176.094 -0.062 0.000 1.061 159 V CA -0.658 61.569 62.300 -0.121 0.000 0.931 159 V CB 1.804 33.581 31.823 -0.076 0.000 1.010 159 V HN 0.869 nan 8.190 nan 0.000 0.433 160 A N 2.065 124.841 122.820 -0.074 0.000 2.520 160 A HA 0.822 5.142 4.320 -0.000 0.000 0.298 160 A C -0.524 177.084 177.584 0.039 0.000 1.051 160 A CA -0.538 51.508 52.037 0.016 0.000 0.690 160 A CB 1.963 20.985 19.000 0.037 0.000 1.281 160 A HN 0.669 nan 8.150 nan 0.000 0.402 161 T N 1.724 116.320 114.554 0.070 0.000 2.794 161 T HA 0.446 4.796 4.350 -0.000 0.000 0.280 161 T C -0.431 174.350 174.700 0.135 0.000 0.987 161 T CA 0.039 62.190 62.100 0.085 0.000 0.993 161 T CB 0.526 69.425 68.868 0.052 0.000 0.939 161 T HN 0.510 nan 8.240 nan 0.000 0.449 162 Y N 4.575 124.911 120.300 0.059 0.000 2.597 162 Y HA -0.003 4.547 4.550 -0.000 0.000 0.336 162 Y C 2.096 178.021 175.900 0.043 0.000 1.216 162 Y CA -0.283 57.869 58.100 0.086 0.000 1.463 162 Y CB 0.555 39.029 38.460 0.024 0.000 1.303 162 Y HN 0.824 nan 8.280 nan 0.000 0.576 163 H N 4.429 123.049 119.070 -0.749 0.000 2.521 163 H HA 0.072 4.628 4.556 -0.000 0.000 0.286 163 H C 0.105 175.262 175.328 -0.286 0.000 1.034 163 H CA 0.903 56.699 56.048 -0.420 0.000 1.278 163 H CB 0.222 29.754 29.762 -0.383 0.000 1.386 163 H HN 0.573 nan 8.280 nan 0.000 0.567 164 R N 0.326 120.346 120.500 -0.800 0.000 2.795 164 R HA 0.593 4.933 4.340 -0.000 0.000 0.275 164 R C -0.978 175.286 176.300 -0.060 0.000 0.981 164 R CA -0.354 55.529 56.100 -0.362 0.000 0.917 164 R CB 2.154 32.158 30.300 -0.494 0.000 1.202 164 R HN 0.205 nan 8.270 nan 0.000 0.469 165 A N 3.193 125.993 122.820 -0.034 0.000 2.332 165 A HA 0.410 4.730 4.320 -0.000 0.000 0.258 165 A C -0.436 177.126 177.584 -0.035 0.000 1.087 165 A CA -0.360 51.673 52.037 -0.007 0.000 0.802 165 A CB 0.359 19.344 19.000 -0.025 0.000 1.042 165 A HN 0.717 nan 8.150 nan 0.000 0.489 166 I N 0.290 120.820 120.570 -0.067 0.000 2.498 166 I HA 0.462 4.632 4.170 -0.000 0.000 0.290 166 I C -0.329 175.678 176.117 -0.183 0.000 1.032 166 I CA -0.671 60.536 61.300 -0.154 0.000 1.073 166 I CB 1.514 39.303 38.000 -0.351 0.000 1.251 166 I HN 0.714 nan 8.210 nan 0.000 0.426 167 K N 7.994 128.291 120.400 -0.171 0.000 2.183 167 K HA 0.546 4.866 4.320 -0.000 0.000 0.274 167 K C -1.410 175.134 176.600 -0.094 0.000 1.009 167 K CA -0.607 55.537 56.287 -0.239 0.000 0.888 167 K CB 0.985 33.278 32.500 -0.345 0.000 1.078 167 K HN 0.485 nan 8.250 nan 0.000 0.459 168 I N 4.451 124.937 120.570 -0.140 0.000 2.447 168 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 168 I C -0.022 176.110 176.117 0.024 0.000 1.023 168 I CA -0.459 60.864 61.300 0.037 0.000 1.083 168 I CB 1.152 39.235 38.000 0.138 0.000 1.245 168 I HN 0.800 nan 8.210 nan 0.000 0.434 169 T N 1.616 116.233 114.554 0.105 0.000 2.901 169 T HA 0.424 4.774 4.350 -0.000 0.000 0.293 169 T C 0.756 175.478 174.700 0.037 0.000 1.084 169 T CA -0.583 61.560 62.100 0.071 0.000 1.008 169 T CB 2.455 71.408 68.868 0.142 0.000 1.170 169 T HN 0.175 nan 8.240 nan 0.000 0.509 170 V N 0.336 120.259 119.914 0.015 0.000 2.515 170 V HA -0.059 4.060 4.120 -0.000 0.000 0.250 170 V C 1.530 177.598 176.094 -0.045 0.000 1.058 170 V CA 2.108 64.403 62.300 -0.009 0.000 1.064 170 V CB -0.674 31.146 31.823 -0.005 0.000 0.675 170 V HN 0.916 nan 8.190 nan 0.000 0.461 171 D N -0.535 119.839 120.400 -0.044 0.000 2.301 171 D HA 0.263 4.903 4.640 -0.000 0.000 0.206 171 D C 1.150 177.344 176.300 -0.177 0.000 0.979 171 D CA 1.149 55.096 54.000 -0.089 0.000 0.874 171 D CB 0.468 41.232 40.800 -0.059 0.000 0.968 171 D HN 0.639 nan 8.370 nan 0.000 0.510 172 G N 1.467 110.160 108.800 -0.178 0.000 2.741 172 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.222 172 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.222 172 G C -2.383 172.137 174.900 -0.633 0.000 1.364 172 G CA -0.436 44.384 45.100 -0.466 0.000 0.866 172 G HN 0.069 nan 8.290 nan 0.000 0.555 173 P HA 0.000 nan 4.420 nan 0.000 0.216 173 P CA 0.000 62.812 63.100 -0.480 0.000 0.800 173 P CB 0.000 31.506 31.700 -0.324 0.000 0.726