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 1b3d_1_B DATA FIRST_RESID 83 DATA SEQUENCE FRTFPGIPKW RKTHLTYRIV NYTPDLPKDA VDSAVEKALK VWEEVTPLTF DATA SEQUENCE SRLYEGEADI MISFAVREHG DFYPFDGPGN VLAHAYAPGP GINGDAHFDD DATA SEQUENCE DEQWTKDTTG TNLFLVAAHE IGHSLGLFHS ANTEALMYPL YHSLTDLTRF DATA SEQUENCE RLSQDDINGI QSLYGPPPDS PET 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 83 F HA 0.000 nan 4.527 nan 0.000 0.279 83 F C 0.000 175.827 175.800 0.045 0.000 0.967 83 F CA 0.000 58.031 58.000 0.052 0.000 1.383 83 F CB 0.000 39.035 39.000 0.058 0.000 1.145 84 R N 0.999 121.666 120.500 0.279 0.000 2.854 84 R HA 0.862 5.200 4.340 -0.004 0.000 0.271 84 R C -0.845 175.591 176.300 0.226 0.000 0.994 84 R CA -0.734 55.481 56.100 0.191 0.000 0.945 84 R CB 2.621 33.027 30.300 0.177 0.000 1.194 84 R HN 0.953 nan 8.270 nan 0.000 0.476 85 T N -1.803 112.846 114.554 0.159 0.000 2.883 85 T HA 0.574 4.922 4.350 -0.004 0.000 0.284 85 T C -0.368 174.329 174.700 -0.005 0.000 1.041 85 T CA -0.705 61.467 62.100 0.119 0.000 1.007 85 T CB 0.710 69.664 68.868 0.143 0.000 1.220 85 T HN 0.195 nan 8.240 nan 0.000 0.552 86 F N 1.272 121.199 119.950 -0.038 0.000 2.379 86 F HA 0.499 5.023 4.527 -0.005 0.000 0.332 86 F C -2.081 173.631 175.800 -0.147 0.000 1.096 86 F CA -2.280 55.613 58.000 -0.178 0.000 1.105 86 F CB 0.364 39.248 39.000 -0.194 0.000 1.189 86 F HN 0.322 nan 8.300 nan 0.000 0.515 87 P HA 0.113 nan 4.420 nan 0.000 0.262 87 P C 0.571 177.861 177.300 -0.016 0.000 1.182 87 P CA 1.272 64.361 63.100 -0.019 0.000 0.761 87 P CB 0.395 32.066 31.700 -0.048 0.000 0.795 88 G N 3.560 112.348 108.800 -0.021 0.000 2.199 88 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.254 88 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.254 88 G C 0.563 175.442 174.900 -0.035 0.000 0.982 88 G CA -0.061 45.019 45.100 -0.032 0.000 0.632 88 G HN 0.628 nan 8.290 nan 0.000 0.529 89 I N 0.319 120.880 120.570 -0.015 0.000 6.833 89 I HA -0.156 4.012 4.170 -0.004 0.000 0.126 89 I C -1.452 174.622 176.117 -0.072 0.000 1.810 89 I CA 0.520 61.808 61.300 -0.020 0.000 2.119 89 I CB -1.413 36.573 38.000 -0.023 0.000 3.512 89 I HN 0.347 nan 8.210 nan 0.000 0.194 90 P HA 0.232 nan 4.420 nan 0.000 0.276 90 P C -0.508 176.645 177.300 -0.246 0.000 1.253 90 P CA 0.202 63.188 63.100 -0.190 0.000 0.766 90 P CB 1.070 32.615 31.700 -0.259 0.000 0.845 91 K N 2.334 122.595 120.400 -0.233 0.000 2.482 91 K HA 0.461 4.779 4.320 -0.004 0.000 0.257 91 K C -0.920 175.609 176.600 -0.118 0.000 0.969 91 K CA -1.089 55.071 56.287 -0.212 0.000 0.842 91 K CB 1.072 33.425 32.500 -0.245 0.000 1.359 91 K HN 0.189 nan 8.250 nan 0.000 0.441 92 W N 1.471 122.894 121.300 0.204 0.000 2.112 92 W HA 0.260 4.919 4.660 -0.001 0.000 0.349 92 W C 1.690 178.294 176.519 0.141 0.000 1.289 92 W CA -0.417 57.011 57.345 0.138 0.000 1.256 92 W CB 0.582 30.101 29.460 0.098 0.000 1.148 92 W HN 0.668 nan 8.180 nan 0.000 0.590 93 R N 0.708 121.415 120.500 0.345 0.000 2.156 93 R HA 0.060 4.398 4.340 -0.004 0.000 0.207 93 R C 0.163 176.567 176.300 0.174 0.000 1.040 93 R CA 0.549 56.772 56.100 0.205 0.000 1.013 93 R CB 0.084 30.465 30.300 0.135 0.000 0.931 93 R HN 0.369 nan 8.270 nan 0.000 0.465 94 K N 0.537 121.032 120.400 0.158 0.000 2.185 94 K HA 0.055 4.373 4.320 -0.004 0.000 0.271 94 K C 0.880 177.482 176.600 0.004 0.000 1.013 94 K CA 0.266 56.589 56.287 0.060 0.000 0.943 94 K CB 1.533 34.036 32.500 0.006 0.000 0.998 94 K HN 0.116 nan 8.250 nan 0.000 0.468 95 T N -2.376 112.164 114.554 -0.023 0.000 3.067 95 T HA -0.068 4.279 4.350 -0.004 0.000 0.257 95 T C 0.612 175.192 174.700 -0.200 0.000 1.105 95 T CA 0.487 62.526 62.100 -0.102 0.000 1.104 95 T CB -0.063 68.780 68.868 -0.042 0.000 0.925 95 T HN 0.532 nan 8.240 nan 0.000 0.498 96 H N 1.071 119.995 119.070 -0.243 0.000 2.504 96 H HA 0.527 5.081 4.556 -0.004 0.000 0.322 96 H C -1.252 173.883 175.328 -0.321 0.000 1.055 96 H CA -0.848 55.029 56.048 -0.286 0.000 1.231 96 H CB 0.709 30.373 29.762 -0.164 0.000 1.417 96 H HN 0.020 nan 8.280 nan 0.000 0.472 97 L N 3.941 124.676 121.223 -0.814 0.000 2.319 97 L HA 0.356 4.694 4.340 -0.004 0.000 0.267 97 L C 0.739 177.347 176.870 -0.436 0.000 1.011 97 L CA -0.764 53.707 54.840 -0.615 0.000 0.818 97 L CB 1.613 43.270 42.059 -0.671 0.000 1.316 97 L HN 0.724 nan 8.230 nan 0.000 0.432 98 T N -1.251 113.160 114.554 -0.238 0.000 2.918 98 T HA 0.760 5.108 4.350 -0.004 0.000 0.286 98 T C -0.721 173.986 174.700 0.013 0.000 1.026 98 T CA -0.584 61.451 62.100 -0.109 0.000 1.031 98 T CB 1.787 70.585 68.868 -0.117 0.000 1.046 98 T HN 0.477 nan 8.240 nan 0.000 0.479 99 Y N -0.480 119.755 120.300 -0.109 0.000 2.553 99 Y HA 0.840 5.388 4.550 -0.004 0.000 0.347 99 Y C -0.665 175.146 175.900 -0.147 0.000 1.019 99 Y CA -1.538 56.488 58.100 -0.123 0.000 1.032 99 Y CB 1.826 40.195 38.460 -0.152 0.000 1.284 99 Y HN 0.959 nan 8.280 nan 0.000 0.466 100 R N 3.226 123.702 120.500 -0.040 0.000 2.604 100 R HA 0.624 4.962 4.340 -0.004 0.000 0.281 100 R C -2.006 174.270 176.300 -0.039 0.000 1.020 100 R CA -0.823 55.184 56.100 -0.155 0.000 0.899 100 R CB 1.643 31.865 30.300 -0.130 0.000 1.205 100 R HN 0.972 nan 8.270 nan 0.000 0.450 101 I N 5.597 126.116 120.570 -0.085 0.000 2.310 101 I HA 0.116 4.284 4.170 -0.004 0.000 0.287 101 I C 1.313 177.344 176.117 -0.143 0.000 1.073 101 I CA -0.437 60.788 61.300 -0.125 0.000 1.216 101 I CB 1.610 39.507 38.000 -0.172 0.000 1.415 101 I HN 0.520 nan 8.210 nan 0.000 0.480 102 V N 5.087 124.956 119.914 -0.075 0.000 2.287 102 V HA -0.231 3.887 4.120 -0.004 0.000 0.248 102 V C 0.833 176.929 176.094 0.004 0.000 1.053 102 V CA 1.758 64.052 62.300 -0.010 0.000 1.027 102 V CB -1.124 30.720 31.823 0.035 0.000 0.646 102 V HN 0.980 nan 8.190 nan 0.000 0.447 103 N N -2.293 116.382 118.700 -0.042 0.000 3.278 103 N HA 0.435 5.173 4.740 -0.004 0.000 0.307 103 N C -1.420 174.022 175.510 -0.113 0.000 1.551 103 N CA -0.940 52.136 53.050 0.043 0.000 0.794 103 N CB 1.129 39.701 38.487 0.141 0.000 1.770 103 N HN 0.086 nan 8.380 nan 0.000 0.612 104 Y N -1.813 118.572 120.300 0.141 0.000 2.524 104 Y HA 0.529 5.077 4.550 -0.003 0.000 0.347 104 Y C 0.201 175.936 175.900 -0.275 0.000 1.005 104 Y CA -0.918 57.171 58.100 -0.019 0.000 1.025 104 Y CB 2.444 40.891 38.460 -0.022 0.000 1.275 104 Y HN 0.651 nan 8.280 nan 0.000 0.460 105 T N 2.435 116.631 114.554 -0.596 0.000 2.909 105 T HA 0.259 4.606 4.350 -0.004 0.000 0.289 105 T C -1.918 172.649 174.700 -0.222 0.000 1.005 105 T CA -1.853 59.882 62.100 -0.609 0.000 1.084 105 T CB 0.920 69.154 68.868 -1.057 0.000 0.975 105 T HN 0.435 nan 8.240 nan 0.000 0.509 106 P HA 0.051 nan 4.420 nan 0.000 0.225 106 P C 0.840 178.113 177.300 -0.045 0.000 1.156 106 P CA 0.431 63.498 63.100 -0.055 0.000 0.787 106 P CB 0.200 31.884 31.700 -0.027 0.000 0.802 107 D N -0.409 119.966 120.400 -0.042 0.000 2.117 107 D HA -0.062 4.576 4.640 -0.004 0.000 0.197 107 D C 0.870 177.169 176.300 -0.001 0.000 0.987 107 D CA 1.112 55.109 54.000 -0.004 0.000 0.829 107 D CB -0.157 40.679 40.800 0.060 0.000 0.961 107 D HN 0.234 nan 8.370 nan 0.000 0.460 108 L N 0.820 122.031 121.223 -0.020 0.000 2.341 108 L HA 0.391 4.729 4.340 -0.004 0.000 0.267 108 L C -2.314 174.543 176.870 -0.023 0.000 1.009 108 L CA -2.100 52.736 54.840 -0.006 0.000 0.819 108 L CB 2.359 44.429 42.059 0.019 0.000 1.323 108 L HN -0.199 nan 8.230 nan 0.000 0.425 109 P HA 0.164 nan 4.420 nan 0.000 0.274 109 P C -0.299 176.972 177.300 -0.048 0.000 1.231 109 P CA -0.483 62.591 63.100 -0.044 0.000 0.790 109 P CB 1.096 32.775 31.700 -0.035 0.000 0.951 110 K N 1.106 121.427 120.400 -0.132 0.000 2.127 110 K HA -0.240 4.078 4.320 -0.004 0.000 0.208 110 K C 1.456 178.034 176.600 -0.038 0.000 1.047 110 K CA 2.478 58.635 56.287 -0.217 0.000 0.927 110 K CB -0.485 31.700 32.500 -0.525 0.000 0.716 110 K HN 0.613 nan 8.250 nan 0.000 0.450 111 D N 0.660 121.041 120.400 -0.032 0.000 2.144 111 D HA -0.166 4.472 4.640 -0.004 0.000 0.199 111 D C 1.738 178.059 176.300 0.035 0.000 0.984 111 D CA 1.390 55.396 54.000 0.011 0.000 0.834 111 D CB -0.261 40.536 40.800 -0.005 0.000 0.955 111 D HN 0.162 nan 8.370 nan 0.000 0.465 112 A N 0.416 123.253 122.820 0.027 0.000 1.969 112 A HA -0.006 4.312 4.320 -0.004 0.000 0.218 112 A C 2.409 180.023 177.584 0.050 0.000 1.169 112 A CA 1.289 53.344 52.037 0.030 0.000 0.635 112 A CB -0.667 18.347 19.000 0.023 0.000 0.810 112 A HN 0.214 nan 8.150 nan 0.000 0.445 113 V N 0.415 120.386 119.914 0.095 0.000 2.283 113 V HA -0.187 3.931 4.120 -0.004 0.000 0.243 113 V C 2.116 178.273 176.094 0.105 0.000 1.039 113 V CA 2.120 64.496 62.300 0.125 0.000 1.016 113 V CB -0.787 31.205 31.823 0.282 0.000 0.650 113 V HN 0.452 nan 8.190 nan 0.000 0.449 114 D N 0.261 120.764 120.400 0.173 0.000 2.149 114 D HA -0.126 4.512 4.640 -0.004 0.000 0.198 114 D C 2.426 178.770 176.300 0.073 0.000 0.990 114 D CA 1.667 55.758 54.000 0.151 0.000 0.839 114 D CB -0.215 40.699 40.800 0.190 0.000 0.948 114 D HN 0.371 nan 8.370 nan 0.000 0.460 115 S N 0.233 115.960 115.700 0.045 0.000 2.368 115 S HA -0.069 4.399 4.470 -0.004 0.000 0.224 115 S C 2.101 176.683 174.600 -0.031 0.000 1.029 115 S CA 0.982 59.184 58.200 0.002 0.000 0.988 115 S CB -0.169 63.025 63.200 -0.010 0.000 0.838 115 S HN 0.367 nan 8.310 nan 0.000 0.462 116 A N 1.023 123.832 122.820 -0.019 0.000 1.969 116 A HA -0.006 4.312 4.320 -0.004 0.000 0.218 116 A C 2.270 179.851 177.584 -0.005 0.000 1.169 116 A CA 1.191 53.228 52.037 0.000 0.000 0.635 116 A CB -0.692 18.319 19.000 0.018 0.000 0.810 116 A HN 0.343 nan 8.150 nan 0.000 0.445 117 V N -0.186 119.683 119.914 -0.075 0.000 2.379 117 V HA -0.230 3.887 4.120 -0.004 0.000 0.245 117 V C 2.371 178.342 176.094 -0.204 0.000 1.044 117 V CA 2.204 64.407 62.300 -0.162 0.000 1.036 117 V CB -0.778 30.939 31.823 -0.176 0.000 0.664 117 V HN 0.628 nan 8.190 nan 0.000 0.453 118 E N 0.004 120.124 120.200 -0.133 0.000 2.077 118 E HA -0.254 4.094 4.350 -0.004 0.000 0.193 118 E C 2.242 178.792 176.600 -0.085 0.000 0.989 118 E CA 1.328 57.656 56.400 -0.119 0.000 0.800 118 E CB -0.129 29.564 29.700 -0.012 0.000 0.746 118 E HN 0.445 nan 8.360 nan 0.000 0.452 119 K N 0.269 120.631 120.400 -0.063 0.000 2.148 119 K HA -0.051 4.267 4.320 -0.004 0.000 0.204 119 K C 1.861 178.533 176.600 0.119 0.000 1.050 119 K CA 1.023 57.269 56.287 -0.068 0.000 0.942 119 K CB -0.069 32.240 32.500 -0.319 0.000 0.724 119 K HN 0.099 nan 8.250 nan 0.000 0.446 120 A N 0.518 123.448 122.820 0.183 0.000 1.930 120 A HA -0.106 4.212 4.320 -0.004 0.000 0.217 120 A C 2.022 179.659 177.584 0.089 0.000 1.175 120 A CA 1.231 53.367 52.037 0.166 0.000 0.627 120 A CB -0.538 18.498 19.000 0.061 0.000 0.815 120 A HN 0.179 nan 8.150 nan 0.000 0.443 121 L N -0.815 120.358 121.223 -0.082 0.000 2.072 121 L HA -0.118 4.220 4.340 -0.004 0.000 0.205 121 L C 2.538 179.455 176.870 0.079 0.000 1.079 121 L CA 1.644 56.360 54.840 -0.207 0.000 0.752 121 L CB -0.387 41.256 42.059 -0.693 0.000 0.906 121 L HN 0.354 nan 8.230 nan 0.000 0.436 122 K N 0.305 120.735 120.400 0.049 0.000 2.152 122 K HA -0.183 4.135 4.320 -0.004 0.000 0.206 122 K C 2.007 178.660 176.600 0.088 0.000 1.048 122 K CA 1.736 58.078 56.287 0.092 0.000 0.933 122 K CB -0.054 32.471 32.500 0.042 0.000 0.721 122 K HN 0.341 nan 8.250 nan 0.000 0.447 123 V N -2.428 117.504 119.914 0.030 0.000 2.626 123 V HA -0.148 3.970 4.120 -0.004 0.000 0.252 123 V C 1.407 177.387 176.094 -0.189 0.000 1.067 123 V CA 1.155 63.398 62.300 -0.094 0.000 1.081 123 V CB -0.860 30.883 31.823 -0.132 0.000 0.686 123 V HN 0.361 nan 8.190 nan 0.000 0.468 124 W N 0.592 121.982 121.300 0.150 0.000 2.576 124 W HA 0.231 4.890 4.660 -0.003 0.000 0.275 124 W C 2.527 179.135 176.519 0.149 0.000 1.241 124 W CA 0.528 57.966 57.345 0.154 0.000 1.328 124 W CB -0.040 29.526 29.460 0.175 0.000 1.092 124 W HN 0.174 nan 8.180 nan 0.000 0.586 125 E N 1.114 121.532 120.200 0.364 0.000 2.051 125 E HA -0.230 4.118 4.350 -0.004 0.000 0.192 125 E C 1.667 178.357 176.600 0.150 0.000 0.991 125 E CA 1.547 58.086 56.400 0.231 0.000 0.799 125 E CB -0.372 29.459 29.700 0.219 0.000 0.748 125 E HN 0.420 nan 8.360 nan 0.000 0.449 126 E N 0.285 120.560 120.200 0.125 0.000 2.147 126 E HA -0.200 4.148 4.350 -0.004 0.000 0.199 126 E C 1.904 178.552 176.600 0.080 0.000 1.005 126 E CA 1.773 58.221 56.400 0.081 0.000 0.810 126 E CB -0.059 29.673 29.700 0.053 0.000 0.736 126 E HN 0.262 nan 8.360 nan 0.000 0.460 127 V N -2.129 117.851 119.914 0.110 0.000 3.376 127 V HA 0.227 4.344 4.120 -0.004 0.000 0.313 127 V C 0.263 176.442 176.094 0.141 0.000 1.393 127 V CA 0.217 62.584 62.300 0.111 0.000 1.125 127 V CB -0.062 31.825 31.823 0.106 0.000 1.037 127 V HN 0.149 nan 8.190 nan 0.000 0.440 128 T N -3.943 110.695 114.554 0.140 0.000 2.787 128 T HA 0.601 4.949 4.350 -0.004 0.000 0.297 128 T C -3.009 171.731 174.700 0.068 0.000 1.221 128 T CA -1.318 60.859 62.100 0.128 0.000 1.006 128 T CB 1.717 70.677 68.868 0.154 0.000 1.328 128 T HN -0.023 nan 8.240 nan 0.000 0.509 129 P HA 0.311 nan 4.420 nan 0.000 0.255 129 P C -0.114 177.149 177.300 -0.061 0.000 1.301 129 P CA -0.124 62.983 63.100 0.012 0.000 0.817 129 P CB -0.138 31.582 31.700 0.034 0.000 1.259 130 L N 0.134 121.276 121.223 -0.135 0.000 2.397 130 L HA 0.316 4.654 4.340 -0.004 0.000 0.271 130 L C 0.846 177.530 176.870 -0.311 0.000 1.148 130 L CA 0.124 54.765 54.840 -0.332 0.000 0.825 130 L CB 0.459 42.204 42.059 -0.523 0.000 1.117 130 L HN 0.014 nan 8.230 nan 0.000 0.456 131 T N -1.161 113.127 114.554 -0.444 0.000 2.906 131 T HA 0.730 5.078 4.350 -0.004 0.000 0.295 131 T C -0.796 173.563 174.700 -0.570 0.000 1.075 131 T CA -0.713 61.239 62.100 -0.246 0.000 1.005 131 T CB 1.769 70.664 68.868 0.045 0.000 1.136 131 T HN 0.187 nan 8.240 nan 0.000 0.498 132 F N 1.013 120.920 119.950 -0.072 0.000 2.569 132 F HA 0.686 5.211 4.527 -0.004 0.000 0.312 132 F C 0.447 176.268 175.800 0.036 0.000 1.109 132 F CA -0.689 57.231 58.000 -0.133 0.000 0.919 132 F CB 2.634 41.620 39.000 -0.023 0.000 1.211 132 F HN 0.929 nan 8.300 nan 0.000 0.446 133 S N 1.996 117.778 115.700 0.136 0.000 2.600 133 S HA 0.737 5.205 4.470 -0.004 0.000 0.300 133 S C -0.968 173.501 174.600 -0.219 0.000 1.087 133 S CA -1.066 57.202 58.200 0.114 0.000 0.965 133 S CB 2.328 65.657 63.200 0.214 0.000 1.089 133 S HN 0.736 nan 8.310 nan 0.000 0.496 134 R N 1.064 121.342 120.500 -0.371 0.000 2.346 134 R HA 0.609 4.947 4.340 -0.004 0.000 0.311 134 R C -1.138 174.831 176.300 -0.552 0.000 0.983 134 R CA -0.606 54.999 56.100 -0.825 0.000 0.880 134 R CB 0.559 30.358 30.300 -0.836 0.000 1.100 134 R HN 0.731 nan 8.270 nan 0.000 0.453 135 L N 4.286 125.152 121.223 -0.596 0.000 2.331 135 L HA 0.360 4.698 4.340 -0.004 0.000 0.275 135 L C -0.368 176.210 176.870 -0.486 0.000 1.022 135 L CA -0.575 54.066 54.840 -0.331 0.000 0.812 135 L CB 1.566 43.519 42.059 -0.177 0.000 1.257 135 L HN 0.814 nan 8.230 nan 0.000 0.435 136 Y N -0.370 119.897 120.300 -0.055 0.000 2.500 136 Y HA 0.173 4.721 4.550 -0.003 0.000 0.246 136 Y C 0.299 176.198 175.900 -0.002 0.000 1.146 136 Y CA -0.542 57.546 58.100 -0.020 0.000 1.230 136 Y CB 0.756 39.212 38.460 -0.006 0.000 1.214 136 Y HN 0.566 nan 8.280 nan 0.000 0.526 137 E N -1.547 118.712 120.200 0.098 0.000 2.423 137 E HA 0.590 4.938 4.350 -0.004 0.000 0.280 137 E C -0.019 176.600 176.600 0.030 0.000 1.030 137 E CA -0.902 55.538 56.400 0.066 0.000 0.812 137 E CB 1.728 31.472 29.700 0.073 0.000 1.313 137 E HN 0.077 nan 8.360 nan 0.000 0.456 138 G N 0.784 109.599 108.800 0.025 0.000 2.828 138 G HA2 -0.156 3.802 3.960 -0.004 0.000 0.463 138 G HA3 -0.156 3.802 3.960 -0.004 0.000 0.463 138 G C -0.944 173.957 174.900 0.003 0.000 1.394 138 G CA -0.367 44.741 45.100 0.013 0.000 0.862 138 G HN 0.539 nan 8.290 nan 0.000 0.540 139 E N 0.303 120.503 120.200 0.001 0.000 2.167 139 E HA 0.584 4.932 4.350 -0.004 0.000 0.284 139 E C 0.632 177.223 176.600 -0.015 0.000 1.016 139 E CA 0.349 56.748 56.400 -0.002 0.000 0.817 139 E CB 1.403 31.106 29.700 0.005 0.000 1.080 139 E HN 1.098 nan 8.360 nan 0.000 0.397 140 A N 3.193 125.998 122.820 -0.025 0.000 2.320 140 A HA 0.283 4.600 4.320 -0.004 0.000 0.334 140 A C 0.813 178.375 177.584 -0.036 0.000 1.147 140 A CA -0.628 51.380 52.037 -0.048 0.000 0.820 140 A CB 0.727 19.682 19.000 -0.075 0.000 1.218 140 A HN 0.511 nan 8.150 nan 0.000 0.482 141 D N 0.536 120.879 120.400 -0.094 0.000 2.116 141 D HA -0.140 4.497 4.640 -0.004 0.000 0.193 141 D C 0.298 176.595 176.300 -0.004 0.000 0.998 141 D CA 1.821 55.739 54.000 -0.137 0.000 0.836 141 D CB -0.024 40.444 40.800 -0.554 0.000 0.951 141 D HN 0.537 nan 8.370 nan 0.000 0.449 142 I N 1.946 122.512 120.570 -0.008 0.000 2.347 142 I HA 0.096 4.264 4.170 -0.004 0.000 0.283 142 I C -0.106 176.051 176.117 0.067 0.000 1.058 142 I CA -0.402 60.938 61.300 0.067 0.000 1.202 142 I CB 0.959 38.990 38.000 0.051 0.000 1.386 142 I HN -0.239 nan 8.210 nan 0.000 0.475 143 M N 6.988 126.627 119.600 0.066 0.000 2.120 143 M HA 0.445 4.922 4.480 -0.004 0.000 0.354 143 M C -0.309 176.043 176.300 0.086 0.000 1.287 143 M CA -0.136 55.204 55.300 0.067 0.000 1.103 143 M CB 0.974 33.619 32.600 0.076 0.000 1.623 143 M HN 0.384 nan 8.290 nan 0.000 0.471 144 I N 2.910 123.520 120.570 0.067 0.000 2.378 144 I HA 0.451 4.619 4.170 -0.004 0.000 0.291 144 I C 0.125 176.248 176.117 0.010 0.000 0.992 144 I CA -0.257 61.077 61.300 0.057 0.000 1.154 144 I CB 1.720 39.727 38.000 0.011 0.000 1.315 144 I HN 0.775 nan 8.210 nan 0.000 0.448 145 S N 4.803 120.530 115.700 0.045 0.000 2.638 145 S HA 0.697 5.165 4.470 -0.004 0.000 0.274 145 S C -1.078 173.447 174.600 -0.126 0.000 1.157 145 S CA -0.837 57.364 58.200 0.002 0.000 0.826 145 S CB 1.771 65.043 63.200 0.120 0.000 1.139 145 S HN 0.272 nan 8.310 nan 0.000 0.474 146 F N 0.489 120.486 119.950 0.078 0.000 2.492 146 F HA 0.886 5.411 4.527 -0.003 0.000 0.327 146 F C 0.596 176.434 175.800 0.063 0.000 1.079 146 F CA -0.067 57.978 58.000 0.076 0.000 0.967 146 F CB 2.187 41.194 39.000 0.013 0.000 1.169 146 F HN 1.085 nan 8.300 nan 0.000 0.472 147 A N 1.077 124.029 122.820 0.220 0.000 2.612 147 A HA 0.829 5.147 4.320 -0.004 0.000 0.293 147 A C -1.630 176.056 177.584 0.169 0.000 1.075 147 A CA -0.768 51.333 52.037 0.106 0.000 0.680 147 A CB 1.534 20.373 19.000 -0.267 0.000 1.279 147 A HN 0.981 nan 8.150 nan 0.000 0.411 148 V N -0.646 119.385 119.914 0.195 0.000 2.735 148 V HA 0.857 4.975 4.120 -0.004 0.000 0.310 148 V C 0.685 176.959 176.094 0.301 0.000 1.061 148 V CA -0.970 61.467 62.300 0.228 0.000 0.913 148 V CB 1.408 33.319 31.823 0.146 0.000 1.005 148 V HN 1.295 nan 8.190 nan 0.000 0.428 149 R N 0.595 121.293 120.500 0.330 0.000 3.707 149 R HA -0.225 4.113 4.340 -0.004 0.000 0.504 149 R C 0.532 177.040 176.300 0.347 0.000 0.241 149 R CA 1.800 58.077 56.100 0.295 0.000 1.576 149 R CB -1.413 28.998 30.300 0.185 0.000 0.924 149 R HN 1.006 nan 8.270 nan 0.000 0.597 150 E N 3.273 123.604 120.200 0.218 0.000 2.290 150 E HA 0.047 4.394 4.350 -0.004 0.000 0.277 150 E C 0.712 177.422 176.600 0.183 0.000 1.035 150 E CA 0.336 56.816 56.400 0.134 0.000 0.873 150 E CB 0.248 29.985 29.700 0.062 0.000 1.029 150 E HN 0.613 nan 8.360 nan 0.000 0.419 151 H N 2.185 121.278 119.070 0.039 0.000 3.297 151 H HA 0.279 4.833 4.556 -0.004 0.000 0.254 151 H C 0.793 176.116 175.328 -0.008 0.000 1.192 151 H CA 0.327 56.388 56.048 0.022 0.000 1.058 151 H CB 0.573 30.348 29.762 0.023 0.000 1.777 151 H HN 0.617 nan 8.280 nan 0.000 0.696 152 G N 1.598 110.284 108.800 -0.190 0.000 2.175 152 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.182 152 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.182 152 G C -0.474 174.360 174.900 -0.111 0.000 1.003 152 G CA 0.115 45.158 45.100 -0.094 0.000 0.666 152 G HN 0.725 nan 8.290 nan 0.000 0.506 153 D N -1.036 119.231 120.400 -0.221 0.000 2.585 153 D HA 0.656 5.294 4.640 -0.004 0.000 0.254 153 D C 0.759 177.067 176.300 0.014 0.000 1.067 153 D CA -1.394 52.554 54.000 -0.088 0.000 1.090 153 D CB -0.078 40.739 40.800 0.028 0.000 1.408 153 D HN -0.176 nan 8.370 nan 0.000 0.554 154 F N -1.070 118.708 119.950 -0.286 0.000 2.604 154 F HA 0.110 4.634 4.527 -0.004 0.000 0.298 154 F C 0.095 175.448 175.800 -0.745 0.000 1.131 154 F CA 0.043 57.703 58.000 -0.566 0.000 1.457 154 F CB -0.796 37.699 39.000 -0.841 0.000 1.095 154 F HN 0.203 nan 8.300 nan 0.000 0.574 155 Y N 0.093 120.440 120.300 0.079 0.000 2.526 155 Y HA 0.434 4.981 4.550 -0.004 0.000 0.328 155 Y C -2.443 173.485 175.900 0.047 0.000 0.995 155 Y CA -3.666 54.455 58.100 0.034 0.000 1.304 155 Y CB 0.479 38.900 38.460 -0.064 0.000 1.096 155 Y HN -0.183 nan 8.280 nan 0.000 0.499 156 P HA 0.072 nan 4.420 nan 0.000 0.271 156 P C -0.511 176.910 177.300 0.201 0.000 1.218 156 P CA -0.118 63.066 63.100 0.141 0.000 0.780 156 P CB 0.667 32.437 31.700 0.117 0.000 0.901 157 F N 1.481 121.628 119.950 0.329 0.000 2.410 157 F HA 0.110 4.635 4.527 -0.004 0.000 0.334 157 F C 1.574 177.453 175.800 0.131 0.000 1.134 157 F CA -0.059 58.046 58.000 0.176 0.000 1.227 157 F CB 0.201 39.243 39.000 0.071 0.000 1.194 157 F HN 0.357 nan 8.300 nan 0.000 0.571 158 D N -0.501 120.102 120.400 0.338 0.000 2.325 158 D HA 0.350 4.988 4.640 -0.004 0.000 0.225 158 D C 0.907 177.279 176.300 0.120 0.000 1.096 158 D CA 0.439 54.553 54.000 0.189 0.000 0.844 158 D CB -0.207 40.687 40.800 0.155 0.000 0.925 158 D HN 0.750 nan 8.370 nan 0.000 0.513 159 G N 0.381 109.247 108.800 0.111 0.000 2.660 159 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.215 159 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.215 159 G C -2.645 172.252 174.900 -0.004 0.000 1.345 159 G CA -0.862 44.268 45.100 0.050 0.000 0.877 159 G HN 0.194 nan 8.290 nan 0.000 0.549 160 P HA 0.421 nan 4.420 nan 0.000 0.264 160 P C 0.863 178.131 177.300 -0.054 0.000 1.193 160 P CA 2.265 65.327 63.100 -0.063 0.000 0.763 160 P CB 0.546 32.216 31.700 -0.051 0.000 0.810 161 G N 2.816 111.563 108.800 -0.088 0.000 2.760 161 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.246 161 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.246 161 G C 0.052 174.930 174.900 -0.037 0.000 1.359 161 G CA -0.181 44.883 45.100 -0.061 0.000 0.861 161 G HN 0.592 nan 8.290 nan 0.000 0.541 162 N N -2.328 116.365 118.700 -0.011 0.000 1.241 162 N HA -0.270 4.468 4.740 -0.004 0.000 0.135 162 N C 0.919 176.437 175.510 0.014 0.000 0.723 162 N CA 1.724 54.782 53.050 0.015 0.000 0.950 162 N CB -1.339 37.171 38.487 0.038 0.000 1.215 162 N HN 1.554 nan 8.380 nan 0.000 0.520 163 V N 2.935 122.883 119.914 0.057 0.000 2.450 163 V HA -0.002 4.116 4.120 -0.004 0.000 0.281 163 V C 1.695 177.792 176.094 0.004 0.000 1.019 163 V CA 0.423 62.776 62.300 0.088 0.000 1.062 163 V CB 0.035 31.989 31.823 0.218 0.000 0.979 163 V HN 0.313 nan 8.190 nan 0.000 0.477 164 L N 4.194 125.398 121.223 -0.032 0.000 2.354 164 L HA 0.497 4.835 4.340 -0.004 0.000 0.212 164 L C 0.921 177.794 176.870 0.005 0.000 1.091 164 L CA 0.927 55.721 54.840 -0.077 0.000 0.828 164 L CB -0.125 41.867 42.059 -0.112 0.000 0.973 164 L HN 0.772 nan 8.230 nan 0.000 0.461 165 A N -0.807 122.027 122.820 0.023 0.000 2.566 165 A HA 0.607 4.925 4.320 -0.004 0.000 0.290 165 A C -1.553 176.104 177.584 0.121 0.000 1.071 165 A CA -0.570 51.445 52.037 -0.038 0.000 0.658 165 A CB 0.956 19.819 19.000 -0.229 0.000 1.285 165 A HN 0.338 nan 8.150 nan 0.000 0.427 166 H N -1.168 117.938 119.070 0.060 0.000 3.085 166 H HA 0.827 5.381 4.556 -0.003 0.000 0.356 166 H C -0.850 174.300 175.328 -0.296 0.000 1.178 166 H CA -0.518 55.471 56.048 -0.098 0.000 1.214 166 H CB 1.596 31.281 29.762 -0.128 0.000 1.881 166 H HN 1.559 nan 8.280 nan 0.000 0.538 167 A N 2.416 125.121 122.820 -0.192 0.000 2.515 167 A HA 0.599 4.917 4.320 -0.004 0.000 0.296 167 A C -1.978 175.357 177.584 -0.416 0.000 1.094 167 A CA -0.784 51.114 52.037 -0.233 0.000 0.718 167 A CB 1.581 20.568 19.000 -0.022 0.000 1.307 167 A HN 0.556 nan 8.150 nan 0.000 0.408 168 Y N 0.439 120.608 120.300 -0.219 0.000 2.453 168 Y HA 0.598 5.145 4.550 -0.004 0.000 0.326 168 Y C 1.013 176.654 175.900 -0.431 0.000 1.186 168 Y CA 0.107 58.013 58.100 -0.324 0.000 1.200 168 Y CB 1.493 39.775 38.460 -0.297 0.000 1.247 168 Y HN 0.905 nan 8.280 nan 0.000 0.482 169 A N 2.876 125.307 122.820 -0.649 0.000 2.386 169 A HA 0.400 4.718 4.320 -0.004 0.000 0.246 169 A C -2.492 174.730 177.584 -0.603 0.000 1.089 169 A CA -1.383 50.090 52.037 -0.941 0.000 0.790 169 A CB -0.493 17.609 19.000 -1.497 0.000 1.042 169 A HN 0.498 nan 8.150 nan 0.000 0.497 170 P HA 0.427 nan 4.420 nan 0.000 0.269 170 P C 0.466 177.262 177.300 -0.839 0.000 1.217 170 P CA 1.257 63.627 63.100 -1.216 0.000 0.783 170 P CB 0.616 31.319 31.700 -1.662 0.000 0.898 171 G N 0.598 108.894 108.800 -0.839 0.000 2.369 171 G HA2 0.167 4.125 3.960 -0.004 0.000 0.307 171 G HA3 0.167 4.125 3.960 -0.004 0.000 0.307 171 G C -3.280 171.558 174.900 -0.103 0.000 1.327 171 G CA -0.860 44.034 45.100 -0.343 0.000 0.963 171 G HN 0.410 nan 8.290 nan 0.000 0.590 172 P HA 0.491 nan 4.420 nan 0.000 0.274 172 P C 1.164 178.446 177.300 -0.030 0.000 1.237 172 P CA 1.600 64.710 63.100 0.017 0.000 0.793 172 P CB 1.189 32.886 31.700 -0.005 0.000 0.977 173 G N 2.209 111.006 108.800 -0.006 0.000 2.559 173 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.282 173 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.282 173 G C 0.754 175.596 174.900 -0.096 0.000 1.177 173 G CA 0.322 45.390 45.100 -0.054 0.000 0.960 173 G HN 0.532 nan 8.290 nan 0.000 0.540 174 I N 3.145 123.591 120.570 -0.205 0.000 2.614 174 I HA 0.142 4.309 4.170 -0.004 0.000 0.258 174 I C 1.080 176.941 176.117 -0.427 0.000 1.189 174 I CA 0.534 61.618 61.300 -0.359 0.000 1.462 174 I CB -0.841 36.820 38.000 -0.565 0.000 1.092 174 I HN 0.453 nan 8.210 nan 0.000 0.442 175 N N 0.742 119.270 118.700 -0.286 0.000 2.518 175 N HA 0.417 5.155 4.740 -0.004 0.000 0.266 175 N C 1.014 176.521 175.510 -0.005 0.000 1.196 175 N CA 1.052 53.980 53.050 -0.203 0.000 0.947 175 N CB 0.432 38.774 38.487 -0.242 0.000 1.098 175 N HN 0.317 nan 8.380 nan 0.000 0.450 176 G N 0.385 109.206 108.800 0.035 0.000 2.184 176 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.264 176 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.264 176 G C -0.538 174.480 174.900 0.195 0.000 0.975 176 G CA 0.072 45.332 45.100 0.268 0.000 0.642 176 G HN 0.602 nan 8.290 nan 0.000 0.536 177 D N 0.591 121.053 120.400 0.104 0.000 2.304 177 D HA 0.621 5.259 4.640 -0.004 0.000 0.247 177 D C 0.399 176.675 176.300 -0.039 0.000 1.089 177 D CA 0.788 54.809 54.000 0.035 0.000 0.910 177 D CB 1.508 42.295 40.800 -0.022 0.000 1.199 177 D HN 0.755 nan 8.370 nan 0.000 0.426 178 A N 2.233 124.999 122.820 -0.089 0.000 2.360 178 A HA 0.372 4.690 4.320 -0.004 0.000 0.309 178 A C -0.887 176.552 177.584 -0.240 0.000 1.311 178 A CA -0.657 51.260 52.037 -0.201 0.000 0.805 178 A CB 0.038 18.969 19.000 -0.116 0.000 1.144 178 A HN 0.609 nan 8.150 nan 0.000 0.486 179 H N 0.751 119.752 119.070 -0.115 0.000 2.487 179 H HA 0.541 5.095 4.556 -0.003 0.000 0.333 179 H C -1.285 173.781 175.328 -0.436 0.000 1.114 179 H CA -0.226 55.771 56.048 -0.085 0.000 1.310 179 H CB 1.326 31.209 29.762 0.202 0.000 1.462 179 H HN 0.575 nan 8.280 nan 0.000 0.516 180 F N 0.922 120.809 119.950 -0.106 0.000 2.467 180 F HA 0.092 4.617 4.527 -0.003 0.000 0.336 180 F C 0.259 175.931 175.800 -0.214 0.000 1.123 180 F CA -1.054 56.765 58.000 -0.302 0.000 0.964 180 F CB 1.257 39.717 39.000 -0.899 0.000 1.136 180 F HN 0.530 nan 8.300 nan 0.000 0.447 181 D N 2.748 122.914 120.400 -0.391 0.000 2.363 181 D HA -0.064 4.574 4.640 -0.004 0.000 0.263 181 D C 0.679 177.099 176.300 0.199 0.000 1.258 181 D CA 0.544 54.142 54.000 -0.671 0.000 0.907 181 D CB 0.517 40.700 40.800 -1.029 0.000 1.107 181 D HN 0.478 nan 8.370 nan 0.000 0.495 182 D N 2.338 122.877 120.400 0.233 0.000 2.363 182 D HA -0.079 4.559 4.640 -0.004 0.000 0.226 182 D C 0.322 176.673 176.300 0.085 0.000 1.020 182 D CA 0.181 54.388 54.000 0.346 0.000 0.892 182 D CB 0.310 41.286 40.800 0.293 0.000 0.900 182 D HN 0.394 nan 8.370 nan 0.000 0.531 183 D N 0.430 120.817 120.400 -0.023 0.000 2.328 183 D HA 0.002 4.640 4.640 -0.004 0.000 0.226 183 D C 0.238 176.429 176.300 -0.181 0.000 1.066 183 D CA 0.336 54.293 54.000 -0.072 0.000 0.861 183 D CB 0.447 41.222 40.800 -0.042 0.000 0.912 183 D HN 0.243 nan 8.370 nan 0.000 0.521 184 E N 0.030 120.029 120.200 -0.335 0.000 2.232 184 E HA 0.266 4.614 4.350 -0.004 0.000 0.264 184 E C -0.237 175.977 176.600 -0.644 0.000 0.973 184 E CA -0.762 55.281 56.400 -0.595 0.000 0.849 184 E CB 0.923 29.977 29.700 -1.077 0.000 1.198 184 E HN -0.162 nan 8.360 nan 0.000 0.407 185 Q N 0.978 120.444 119.800 -0.557 0.000 2.509 185 Q HA 0.189 4.527 4.340 -0.004 0.000 0.230 185 Q C -1.537 174.255 176.000 -0.347 0.000 1.089 185 Q CA -0.250 55.347 55.803 -0.343 0.000 0.901 185 Q CB 0.028 28.657 28.738 -0.182 0.000 1.208 185 Q HN 0.352 nan 8.270 nan 0.000 0.529 186 W N 3.040 124.322 121.300 -0.031 0.000 2.308 186 W HA 0.305 4.963 4.660 -0.004 0.000 0.324 186 W C 0.171 176.680 176.519 -0.017 0.000 1.387 186 W CA -0.205 57.130 57.345 -0.016 0.000 1.250 186 W CB 0.908 30.370 29.460 0.005 0.000 1.257 186 W HN 0.336 nan 8.180 nan 0.000 0.554 187 T N 2.192 116.890 114.554 0.241 0.000 2.906 187 T HA 0.167 4.515 4.350 -0.004 0.000 0.295 187 T C 0.660 175.444 174.700 0.140 0.000 1.075 187 T CA -1.055 61.130 62.100 0.140 0.000 1.005 187 T CB 2.295 71.212 68.868 0.081 0.000 1.136 187 T HN 0.440 nan 8.240 nan 0.000 0.498 188 K N 0.201 120.656 120.400 0.091 0.000 2.305 188 K HA 0.006 4.324 4.320 -0.004 0.000 0.199 188 K C 0.324 176.964 176.600 0.067 0.000 1.047 188 K CA 1.061 57.390 56.287 0.069 0.000 0.976 188 K CB 0.189 32.711 32.500 0.037 0.000 0.765 188 K HN 0.744 nan 8.250 nan 0.000 0.474 189 D N -2.224 118.217 120.400 0.068 0.000 2.636 189 D HA 0.002 4.639 4.640 -0.004 0.000 0.236 189 D C 0.384 176.733 176.300 0.081 0.000 1.176 189 D CA -0.453 53.584 54.000 0.062 0.000 1.081 189 D CB 0.331 41.154 40.800 0.038 0.000 1.213 189 D HN -0.067 nan 8.370 nan 0.000 0.633 190 T N -3.707 110.884 114.554 0.063 0.000 3.223 190 T HA 0.147 4.495 4.350 -0.004 0.000 0.259 190 T C 1.200 175.930 174.700 0.050 0.000 1.015 190 T CA 0.320 62.459 62.100 0.066 0.000 0.908 190 T CB -0.912 67.981 68.868 0.041 0.000 1.054 190 T HN 0.490 nan 8.240 nan 0.000 0.567 191 T N -2.466 112.112 114.554 0.040 0.000 3.067 191 T HA 0.387 4.735 4.350 -0.004 0.000 0.261 191 T C 1.448 176.154 174.700 0.010 0.000 1.110 191 T CA 0.544 62.657 62.100 0.022 0.000 1.113 191 T CB -0.012 68.864 68.868 0.013 0.000 0.917 191 T HN 0.460 nan 8.240 nan 0.000 0.499 192 G N 0.839 109.646 108.800 0.011 0.000 3.069 192 G HA2 0.481 4.439 3.960 -0.004 0.000 0.205 192 G HA3 0.481 4.439 3.960 -0.004 0.000 0.205 192 G C -0.721 174.172 174.900 -0.012 0.000 1.771 192 G CA -0.294 44.787 45.100 -0.032 0.000 0.739 192 G HN 0.337 nan 8.290 nan 0.000 0.784 193 T N 1.908 116.398 114.554 -0.106 0.000 2.809 193 T HA 0.341 4.689 4.350 -0.004 0.000 0.296 193 T C -0.293 174.474 174.700 0.112 0.000 1.015 193 T CA -0.502 61.517 62.100 -0.134 0.000 0.954 193 T CB 1.001 69.507 68.868 -0.603 0.000 0.950 193 T HN 0.373 nan 8.240 nan 0.000 0.450 194 N N 3.377 122.226 118.700 0.249 0.000 2.434 194 N HA -0.015 4.723 4.740 -0.004 0.000 0.268 194 N C 1.015 176.711 175.510 0.310 0.000 1.256 194 N CA -0.328 52.889 53.050 0.277 0.000 0.914 194 N CB 0.676 39.328 38.487 0.275 0.000 1.088 194 N HN 0.420 nan 8.380 nan 0.000 0.478 195 L N 6.649 128.055 121.223 0.305 0.000 2.046 195 L HA -0.109 4.229 4.340 -0.004 0.000 0.208 195 L C 1.851 178.729 176.870 0.012 0.000 1.077 195 L CA 1.678 56.582 54.840 0.107 0.000 0.747 195 L CB -0.974 41.070 42.059 -0.025 0.000 0.896 195 L HN 0.678 nan 8.230 nan 0.000 0.432 196 F N -0.457 119.462 119.950 -0.052 0.000 2.102 196 F HA -0.204 4.321 4.527 -0.003 0.000 0.298 196 F C 2.010 177.757 175.800 -0.088 0.000 1.105 196 F CA 1.750 59.685 58.000 -0.109 0.000 1.239 196 F CB -0.556 38.355 39.000 -0.148 0.000 0.991 196 F HN 0.054 nan 8.300 nan 0.000 0.474 197 L N 0.331 121.284 121.223 -0.451 0.000 1.989 197 L HA -0.212 4.126 4.340 -0.004 0.000 0.211 197 L C 2.723 179.501 176.870 -0.154 0.000 1.071 197 L CA 1.808 56.359 54.840 -0.483 0.000 0.749 197 L CB -1.170 40.898 42.059 0.014 0.000 0.890 197 L HN 0.303 nan 8.230 nan 0.000 0.431 198 V N -2.621 117.327 119.914 0.056 0.000 2.427 198 V HA -0.153 3.965 4.120 -0.004 0.000 0.248 198 V C 2.577 178.824 176.094 0.255 0.000 1.051 198 V CA 1.480 63.883 62.300 0.171 0.000 1.048 198 V CB -1.201 30.761 31.823 0.231 0.000 0.666 198 V HN 0.318 nan 8.190 nan 0.000 0.456 199 A N 0.894 123.824 122.820 0.184 0.000 1.902 199 A HA 0.033 4.351 4.320 -0.004 0.000 0.217 199 A C 2.521 180.198 177.584 0.155 0.000 1.181 199 A CA 2.491 54.667 52.037 0.231 0.000 0.623 199 A CB -1.130 17.853 19.000 -0.028 0.000 0.818 199 A HN 0.994 nan 8.150 nan 0.000 0.443 200 A N -1.025 121.790 122.820 -0.008 0.000 1.902 200 A HA -0.196 4.122 4.320 -0.004 0.000 0.217 200 A C 2.007 179.832 177.584 0.402 0.000 1.181 200 A CA 2.067 54.175 52.037 0.120 0.000 0.623 200 A CB -0.878 17.933 19.000 -0.315 0.000 0.818 200 A HN 0.804 nan 8.150 nan 0.000 0.443 201 H N -0.543 118.634 119.070 0.178 0.000 2.389 201 H HA -0.066 4.488 4.556 -0.003 0.000 0.299 201 H C 1.905 177.282 175.328 0.081 0.000 1.081 201 H CA 1.693 57.845 56.048 0.174 0.000 1.345 201 H CB 0.176 30.033 29.762 0.159 0.000 1.393 201 H HN 0.388 nan 8.280 nan 0.000 0.520 202 E N 0.394 120.754 120.200 0.267 0.000 2.072 202 E HA -0.097 4.251 4.350 -0.004 0.000 0.190 202 E C 2.323 178.975 176.600 0.086 0.000 0.982 202 E CA 0.486 56.999 56.400 0.189 0.000 0.803 202 E CB -0.006 29.730 29.700 0.060 0.000 0.755 202 E HN 0.534 nan 8.360 nan 0.000 0.453 203 I N 1.035 121.654 120.570 0.081 0.000 2.361 203 I HA -0.116 4.051 4.170 -0.004 0.000 0.251 203 I C 2.346 178.284 176.117 -0.298 0.000 1.133 203 I CA 1.126 62.403 61.300 -0.039 0.000 1.413 203 I CB -1.708 36.292 38.000 0.000 0.000 1.073 203 I HN 0.057 nan 8.210 nan 0.000 0.424 204 G N 0.632 109.178 108.800 -0.424 0.000 2.476 204 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.218 204 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.218 204 G C 1.575 176.279 174.900 -0.326 0.000 1.164 204 G CA 0.806 45.464 45.100 -0.737 0.000 0.768 204 G HN 0.379 nan 8.290 nan 0.000 0.560 205 H N 0.662 119.680 119.070 -0.087 0.000 2.357 205 H HA 0.026 4.580 4.556 -0.004 0.000 0.301 205 H C 2.987 178.337 175.328 0.036 0.000 1.082 205 H CA 1.358 57.470 56.048 0.106 0.000 1.342 205 H CB -0.388 29.441 29.762 0.111 0.000 1.389 205 H HN 0.301 nan 8.280 nan 0.000 0.511 206 S N 0.399 116.176 115.700 0.129 0.000 2.469 206 S HA -0.020 4.448 4.470 -0.004 0.000 0.238 206 S C 2.134 176.894 174.600 0.266 0.000 0.998 206 S CA 0.562 58.853 58.200 0.152 0.000 0.957 206 S CB 0.032 63.337 63.200 0.174 0.000 0.764 206 S HN 0.288 nan 8.310 nan 0.000 0.514 207 L N -0.457 120.863 121.223 0.162 0.000 2.590 207 L HA 0.340 4.678 4.340 -0.004 0.000 0.227 207 L C 1.560 178.538 176.870 0.180 0.000 1.099 207 L CA 0.434 55.441 54.840 0.278 0.000 0.872 207 L CB 0.303 42.427 42.059 0.107 0.000 1.088 207 L HN 0.468 nan 8.230 nan 0.000 0.479 208 G N 0.167 109.023 108.800 0.094 0.000 2.321 208 G HA2 -0.109 3.849 3.960 -0.004 0.000 0.174 208 G HA3 -0.109 3.849 3.960 -0.004 0.000 0.174 208 G C -0.154 174.927 174.900 0.301 0.000 1.008 208 G CA -0.694 44.492 45.100 0.143 0.000 0.739 208 G HN 0.049 nan 8.290 nan 0.000 0.502 209 L N 1.300 122.651 121.223 0.213 0.000 2.289 209 L HA 0.726 5.064 4.340 -0.004 0.000 0.285 209 L C 0.441 177.360 176.870 0.081 0.000 1.049 209 L CA -1.112 53.784 54.840 0.093 0.000 0.804 209 L CB 1.068 43.073 42.059 -0.089 0.000 1.195 209 L HN 0.096 nan 8.230 nan 0.000 0.428 210 F N 2.107 121.852 119.950 -0.341 0.000 2.377 210 F HA 0.368 4.893 4.527 -0.004 0.000 0.335 210 F C 0.714 176.392 175.800 -0.202 0.000 1.099 210 F CA -0.894 56.738 58.000 -0.613 0.000 1.072 210 F CB 0.577 39.060 39.000 -0.861 0.000 1.417 210 F HN 0.362 nan 8.300 nan 0.000 0.495 211 H N 0.505 118.934 119.070 -1.070 0.000 2.897 211 H HA 0.195 4.749 4.556 -0.004 0.000 0.347 211 H C -0.024 175.126 175.328 -0.296 0.000 1.068 211 H CA 0.251 55.922 56.048 -0.628 0.000 1.426 211 H CB 0.596 29.889 29.762 -0.782 0.000 1.410 211 H HN 0.427 nan 8.280 nan 0.000 0.597 212 S N 1.209 116.951 115.700 0.070 0.000 2.646 212 S HA 0.425 4.893 4.470 -0.004 0.000 0.276 212 S C 0.950 175.669 174.600 0.199 0.000 1.222 212 S CA -0.264 58.027 58.200 0.152 0.000 1.014 212 S CB 0.993 64.327 63.200 0.223 0.000 0.991 212 S HN 0.755 nan 8.310 nan 0.000 0.533 213 A N 2.970 125.892 122.820 0.171 0.000 2.275 213 A HA 0.254 4.571 4.320 -0.004 0.000 0.212 213 A C 0.779 178.472 177.584 0.181 0.000 1.201 213 A CA -0.127 52.020 52.037 0.183 0.000 0.843 213 A CB -0.343 18.709 19.000 0.085 0.000 0.873 213 A HN 0.727 nan 8.150 nan 0.000 0.492 214 N N 0.709 119.503 118.700 0.156 0.000 2.406 214 N HA 0.087 4.825 4.740 -0.004 0.000 0.251 214 N C 0.717 176.133 175.510 -0.158 0.000 1.069 214 N CA 0.330 53.395 53.050 0.025 0.000 0.947 214 N CB 0.932 39.458 38.487 0.064 0.000 1.111 214 N HN 0.144 nan 8.380 nan 0.000 0.497 215 T N 2.766 117.052 114.554 -0.446 0.000 2.685 215 T HA -0.180 4.168 4.350 -0.004 0.000 0.268 215 T C 0.847 175.231 174.700 -0.527 0.000 1.034 215 T CA 1.496 63.057 62.100 -0.899 0.000 1.149 215 T CB 0.051 68.580 68.868 -0.565 0.000 0.860 215 T HN 0.611 nan 8.240 nan 0.000 0.449 216 E N 0.496 120.559 120.200 -0.228 0.000 2.419 216 E HA 0.407 4.755 4.350 -0.004 0.000 0.190 216 E C 0.191 176.786 176.600 -0.010 0.000 1.040 216 E CA -0.516 55.826 56.400 -0.098 0.000 0.900 216 E CB 0.313 29.965 29.700 -0.080 0.000 1.054 216 E HN 0.400 nan 8.360 nan 0.000 0.462 217 A N 0.865 123.710 122.820 0.041 0.000 2.316 217 A HA 0.162 4.480 4.320 -0.004 0.000 0.284 217 A C 0.868 178.566 177.584 0.191 0.000 1.115 217 A CA -0.415 51.689 52.037 0.111 0.000 0.812 217 A CB 0.582 19.675 19.000 0.156 0.000 1.064 217 A HN 0.281 nan 8.150 nan 0.000 0.489 218 L N 1.883 123.216 121.223 0.184 0.000 2.131 218 L HA -0.091 4.246 4.340 -0.004 0.000 0.210 218 L C 1.641 178.748 176.870 0.396 0.000 1.092 218 L CA 1.916 56.925 54.840 0.282 0.000 0.759 218 L CB -0.424 41.795 42.059 0.266 0.000 0.903 218 L HN 0.657 nan 8.230 nan 0.000 0.435 219 M N -1.069 118.696 119.600 0.275 0.000 2.682 219 M HA 0.015 4.493 4.480 -0.004 0.000 0.235 219 M C -0.080 176.397 176.300 0.295 0.000 1.114 219 M CA -0.079 55.307 55.300 0.145 0.000 1.053 219 M CB -1.679 30.931 32.600 0.018 0.000 1.599 219 M HN 0.201 nan 8.290 nan 0.000 0.520 220 Y N 4.057 124.477 120.300 0.200 0.000 2.377 220 Y HA 0.187 4.734 4.550 -0.004 0.000 0.330 220 Y C -1.379 174.568 175.900 0.078 0.000 1.108 220 Y CA -2.110 56.048 58.100 0.096 0.000 1.308 220 Y CB 0.733 39.229 38.460 0.060 0.000 1.216 220 Y HN 0.061 nan 8.280 nan 0.000 0.518 221 P HA -0.052 nan 4.420 nan 0.000 0.279 221 P C -0.696 176.357 177.300 -0.411 0.000 1.451 221 P CA 0.786 63.457 63.100 -0.715 0.000 0.783 221 P CB -0.055 30.970 31.700 -1.125 0.000 1.490 222 L N 0.958 122.091 121.223 -0.151 0.000 2.427 222 L HA 0.347 4.684 4.340 -0.004 0.000 0.264 222 L C -1.055 175.944 176.870 0.215 0.000 0.989 222 L CA -1.113 53.755 54.840 0.047 0.000 0.865 222 L CB 1.397 43.538 42.059 0.136 0.000 1.209 222 L HN -0.069 nan 8.230 nan 0.000 0.430 223 Y N 6.441 126.763 120.300 0.036 0.000 2.377 223 Y HA 0.367 4.915 4.550 -0.004 0.000 0.330 223 Y C 0.148 176.118 175.900 0.117 0.000 1.108 223 Y CA 0.207 58.329 58.100 0.037 0.000 1.308 223 Y CB 0.315 38.754 38.460 -0.035 0.000 1.216 223 Y HN 0.661 nan 8.280 nan 0.000 0.518 224 H N 0.085 118.833 119.070 -0.536 0.000 2.928 224 H HA 0.317 4.871 4.556 -0.004 0.000 0.285 224 H C -0.776 174.327 175.328 -0.375 0.000 1.438 224 H CA -0.910 54.946 56.048 -0.320 0.000 1.176 224 H CB 0.482 30.168 29.762 -0.128 0.000 1.864 224 H HN 0.428 nan 8.280 nan 0.000 0.567 225 S N 1.801 117.450 115.700 -0.084 0.000 3.442 225 S HA 0.011 4.478 4.470 -0.004 0.000 0.237 225 S C 0.516 175.039 174.600 -0.127 0.000 0.992 225 S CA -0.174 57.982 58.200 -0.073 0.000 1.381 225 S CB -1.322 61.907 63.200 0.048 0.000 1.566 225 S HN 0.321 nan 8.310 nan 0.000 0.559 226 L N 3.252 124.295 121.223 -0.299 0.000 2.325 226 L HA 0.429 4.767 4.340 -0.004 0.000 0.279 226 L C 1.113 177.938 176.870 -0.076 0.000 1.054 226 L CA 0.061 54.779 54.840 -0.203 0.000 0.804 226 L CB 1.499 43.384 42.059 -0.290 0.000 1.200 226 L HN 0.527 nan 8.230 nan 0.000 0.436 227 T N -0.977 113.565 114.554 -0.020 0.000 2.955 227 T HA 0.235 4.583 4.350 -0.004 0.000 0.251 227 T C -0.003 174.713 174.700 0.027 0.000 1.002 227 T CA -0.196 61.908 62.100 0.006 0.000 0.970 227 T CB 0.261 69.134 68.868 0.009 0.000 1.091 227 T HN 0.534 nan 8.240 nan 0.000 0.495 228 D N 0.998 121.423 120.400 0.042 0.000 2.461 228 D HA 0.520 5.157 4.640 -0.004 0.000 0.240 228 D C 0.257 176.624 176.300 0.111 0.000 1.094 228 D CA -0.447 53.590 54.000 0.062 0.000 0.868 228 D CB 1.720 42.550 40.800 0.051 0.000 1.062 228 D HN -0.048 nan 8.370 nan 0.000 0.530 229 L N 1.594 122.881 121.223 0.108 0.000 2.418 229 L HA -0.011 4.327 4.340 -0.004 0.000 0.218 229 L C 2.523 179.468 176.870 0.125 0.000 1.125 229 L CA 1.107 56.038 54.840 0.151 0.000 0.835 229 L CB -0.635 41.471 42.059 0.080 0.000 0.953 229 L HN 0.507 nan 8.230 nan 0.000 0.454 230 T N -2.532 112.067 114.554 0.076 0.000 2.746 230 T HA -0.202 4.146 4.350 -0.004 0.000 0.267 230 T C 1.592 176.339 174.700 0.078 0.000 1.039 230 T CA 0.814 62.946 62.100 0.052 0.000 1.142 230 T CB -0.342 68.544 68.868 0.031 0.000 0.866 230 T HN 0.229 nan 8.240 nan 0.000 0.444 231 R N 0.758 121.313 120.500 0.092 0.000 4.031 231 R HA 0.351 4.689 4.340 -0.004 0.000 0.269 231 R C -0.932 175.439 176.300 0.118 0.000 1.668 231 R CA -0.440 55.704 56.100 0.075 0.000 1.432 231 R CB -0.592 29.734 30.300 0.044 0.000 1.374 231 R HN 0.381 nan 8.270 nan 0.000 0.681 232 F N 1.224 121.197 119.950 0.038 0.000 2.371 232 F HA 0.347 4.872 4.527 -0.004 0.000 0.363 232 F C -0.142 175.679 175.800 0.034 0.000 1.122 232 F CA -0.613 57.428 58.000 0.067 0.000 1.129 232 F CB 0.491 39.600 39.000 0.182 0.000 1.173 232 F HN -0.095 nan 8.300 nan 0.000 0.489 233 R N 5.797 125.931 120.500 -0.609 0.000 2.514 233 R HA 0.357 4.694 4.340 -0.004 0.000 0.296 233 R C -1.522 174.394 176.300 -0.642 0.000 1.012 233 R CA -1.235 54.596 56.100 -0.449 0.000 0.897 233 R CB 1.854 32.030 30.300 -0.206 0.000 1.184 233 R HN 0.553 nan 8.270 nan 0.000 0.440 234 L N 2.851 123.752 121.223 -0.537 0.000 2.540 234 L HA 0.003 4.341 4.340 -0.004 0.000 0.276 234 L C 0.548 177.271 176.870 -0.246 0.000 1.212 234 L CA 0.811 55.401 54.840 -0.417 0.000 0.893 234 L CB 0.677 42.544 42.059 -0.319 0.000 1.138 234 L HN 0.750 nan 8.230 nan 0.000 0.491 235 S N 2.892 118.483 115.700 -0.181 0.000 2.596 235 S HA 0.046 4.514 4.470 -0.004 0.000 0.260 235 S C 0.857 175.431 174.600 -0.042 0.000 1.336 235 S CA -0.174 57.969 58.200 -0.095 0.000 0.993 235 S CB 0.799 63.968 63.200 -0.052 0.000 0.923 235 S HN 0.668 nan 8.310 nan 0.000 0.567 236 Q N 0.562 120.352 119.800 -0.018 0.000 2.170 236 Q HA -0.104 4.234 4.340 -0.004 0.000 0.203 236 Q C 1.512 177.538 176.000 0.043 0.000 0.976 236 Q CA 2.244 58.052 55.803 0.010 0.000 0.858 236 Q CB -0.739 28.008 28.738 0.016 0.000 0.907 236 Q HN 0.955 nan 8.270 nan 0.000 0.433 237 D N -0.605 119.837 120.400 0.069 0.000 2.117 237 D HA -0.147 4.491 4.640 -0.004 0.000 0.198 237 D C 1.099 177.454 176.300 0.092 0.000 0.982 237 D CA 1.404 55.487 54.000 0.139 0.000 0.828 237 D CB 0.026 40.926 40.800 0.167 0.000 0.967 237 D HN 0.283 nan 8.370 nan 0.000 0.464 238 D N -0.072 120.381 120.400 0.087 0.000 2.117 238 D HA -0.119 4.519 4.640 -0.004 0.000 0.198 238 D C 2.300 178.672 176.300 0.120 0.000 0.982 238 D CA 0.685 54.772 54.000 0.144 0.000 0.828 238 D CB -0.103 40.793 40.800 0.160 0.000 0.967 238 D HN 0.384 nan 8.370 nan 0.000 0.464 239 I N 1.287 121.891 120.570 0.057 0.000 2.179 239 I HA -0.269 3.899 4.170 -0.004 0.000 0.242 239 I C 1.890 177.996 176.117 -0.017 0.000 1.088 239 I CA 1.094 62.423 61.300 0.049 0.000 1.357 239 I CB -0.379 37.633 38.000 0.021 0.000 1.051 239 I HN -0.030 nan 8.210 nan 0.000 0.409 240 N N 0.485 119.143 118.700 -0.071 0.000 2.223 240 N HA -0.117 4.621 4.740 -0.004 0.000 0.185 240 N C 1.943 177.106 175.510 -0.579 0.000 1.016 240 N CA 1.022 53.980 53.050 -0.153 0.000 0.863 240 N CB -0.215 38.288 38.487 0.028 0.000 0.983 240 N HN 0.407 nan 8.380 nan 0.000 0.429 241 G N 0.866 109.157 108.800 -0.848 0.000 2.396 241 G HA2 -0.149 3.809 3.960 -0.004 0.000 0.214 241 G HA3 -0.149 3.809 3.960 -0.004 0.000 0.214 241 G C 1.429 176.063 174.900 -0.443 0.000 1.166 241 G CA 0.172 44.538 45.100 -1.223 0.000 0.793 241 G HN 0.167 nan 8.290 nan 0.000 0.533 242 I N 0.330 120.824 120.570 -0.127 0.000 2.617 242 I HA 0.047 4.214 4.170 -0.004 0.000 0.256 242 I C 2.538 178.705 176.117 0.085 0.000 1.167 242 I CA 0.841 62.175 61.300 0.057 0.000 1.469 242 I CB 0.033 38.195 38.000 0.270 0.000 1.098 242 I HN 0.174 nan 8.210 nan 0.000 0.436 243 Q N -0.673 119.137 119.800 0.017 0.000 2.389 243 Q HA -0.043 4.295 4.340 -0.004 0.000 0.204 243 Q C 2.057 178.045 176.000 -0.020 0.000 0.944 243 Q CA 1.112 56.938 55.803 0.038 0.000 0.908 243 Q CB -0.012 28.750 28.738 0.039 0.000 1.002 243 Q HN 0.621 nan 8.270 nan 0.000 0.493 244 S N -0.579 115.062 115.700 -0.098 0.000 2.562 244 S HA 0.049 4.517 4.470 -0.004 0.000 0.221 244 S C 1.600 176.144 174.600 -0.092 0.000 0.975 244 S CA 0.291 58.456 58.200 -0.057 0.000 0.918 244 S CB 0.051 63.243 63.200 -0.013 0.000 0.772 244 S HN 0.247 nan 8.310 nan 0.000 0.531 245 L N -1.635 119.475 121.223 -0.189 0.000 2.349 245 L HA 0.330 4.668 4.340 -0.004 0.000 0.200 245 L C 1.747 178.310 176.870 -0.512 0.000 1.064 245 L CA 0.543 55.129 54.840 -0.423 0.000 0.821 245 L CB -0.255 41.381 42.059 -0.705 0.000 1.027 245 L HN 0.219 nan 8.230 nan 0.000 0.476 246 Y N 0.206 120.523 120.300 0.028 0.000 2.462 246 Y HA 0.463 5.013 4.550 -0.001 0.000 0.253 246 Y C 1.395 177.316 175.900 0.035 0.000 1.095 246 Y CA 0.009 58.132 58.100 0.039 0.000 1.283 246 Y CB -0.082 38.409 38.460 0.051 0.000 1.138 246 Y HN 0.166 nan 8.280 nan 0.000 0.522 247 G N 1.581 110.460 108.800 0.132 0.000 2.846 247 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.660 247 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.660 247 G C -2.765 172.204 174.900 0.115 0.000 1.464 247 G CA -0.839 44.321 45.100 0.100 0.000 0.891 247 G HN 0.050 nan 8.290 nan 0.000 0.552 248 P HA 0.344 nan 4.420 nan 0.000 0.274 248 P C -2.577 174.765 177.300 0.071 0.000 1.246 248 P CA -1.138 62.008 63.100 0.076 0.000 0.795 248 P CB 0.132 31.866 31.700 0.056 0.000 1.006 249 P HA 0.159 nan 4.420 nan 0.000 0.271 249 P C -1.935 175.390 177.300 0.042 0.000 1.218 249 P CA -1.107 62.024 63.100 0.052 0.000 0.780 249 P CB -0.781 30.948 31.700 0.049 0.000 0.901 250 P HA -0.082 nan 4.420 nan 0.000 0.226 250 P C 0.334 177.650 177.300 0.026 0.000 1.153 250 P CA 1.339 64.457 63.100 0.030 0.000 0.777 250 P CB 0.075 31.790 31.700 0.026 0.000 0.794 251 D N -1.587 118.829 120.400 0.026 0.000 2.339 251 D HA 0.082 4.720 4.640 -0.004 0.000 0.217 251 D C 0.137 176.451 176.300 0.024 0.000 1.050 251 D CA 0.541 54.555 54.000 0.023 0.000 0.856 251 D CB 0.133 40.946 40.800 0.022 0.000 0.922 251 D HN 0.096 nan 8.370 nan 0.000 0.518 252 S N 2.191 117.907 115.700 0.027 0.000 2.508 252 S HA 0.417 4.885 4.470 -0.004 0.000 0.284 252 S C -2.020 172.595 174.600 0.024 0.000 1.192 252 S CA -1.009 57.207 58.200 0.026 0.000 1.070 252 S CB 2.123 65.342 63.200 0.032 0.000 1.004 252 S HN 0.098 nan 8.310 nan 0.000 0.493 253 P HA 0.461 nan 4.420 nan 0.000 0.279 253 P C -0.980 176.332 177.300 0.020 0.000 1.252 253 P CA -0.504 62.608 63.100 0.019 0.000 0.811 253 P CB 0.786 32.495 31.700 0.016 0.000 1.035 254 E N 0.642 120.854 120.200 0.020 0.000 2.166 254 E HA 0.336 4.684 4.350 -0.004 0.000 0.275 254 E C -0.054 176.556 176.600 0.018 0.000 0.941 254 E CA -0.481 55.931 56.400 0.021 0.000 0.784 254 E CB 0.876 30.590 29.700 0.023 0.000 1.115 254 E HN 0.529 nan 8.360 nan 0.000 0.399 255 T N 0.000 114.564 114.554 0.017 0.000 3.816 255 T HA 0.000 4.348 4.350 -0.004 0.000 0.228 255 T CA 0.000 62.108 62.100 0.014 0.000 1.349 255 T CB 0.000 68.875 68.868 0.012 0.000 0.612 255 T HN 0.000 nan 8.240 nan 0.000 0.658