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 1c3i_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 0.000 175.829 175.800 0.049 0.000 0.967 83 F CA 0.000 58.036 58.000 0.060 0.000 1.383 83 F CB 0.000 39.040 39.000 0.066 0.000 1.145 84 R N 0.446 121.145 120.500 0.331 0.000 2.643 84 R HA 0.672 5.011 4.340 -0.001 0.000 0.269 84 R C -1.206 175.228 176.300 0.225 0.000 1.037 84 R CA -0.544 55.668 56.100 0.187 0.000 0.894 84 R CB 2.550 32.930 30.300 0.134 0.000 1.238 84 R HN 1.015 nan 8.270 nan 0.000 0.459 85 T N -1.437 113.208 114.554 0.151 0.000 2.919 85 T HA 0.595 4.945 4.350 -0.001 0.000 0.282 85 T C -0.047 174.614 174.700 -0.065 0.000 1.020 85 T CA -0.641 61.509 62.100 0.084 0.000 0.994 85 T CB 0.632 69.575 68.868 0.125 0.000 1.180 85 T HN 0.172 nan 8.240 nan 0.000 0.566 86 F N 1.377 121.296 119.950 -0.052 0.000 2.378 86 F HA 0.440 4.966 4.527 -0.000 0.000 0.319 86 F C -1.881 173.820 175.800 -0.164 0.000 1.155 86 F CA -2.217 55.654 58.000 -0.215 0.000 1.157 86 F CB -0.039 38.825 39.000 -0.226 0.000 1.252 86 F HN 0.341 nan 8.300 nan 0.000 0.550 87 P HA 0.129 nan 4.420 nan 0.000 0.263 87 P C 0.574 177.866 177.300 -0.014 0.000 1.195 87 P CA 0.914 63.998 63.100 -0.027 0.000 0.762 87 P CB 0.277 31.945 31.700 -0.054 0.000 0.799 88 G N 3.738 112.527 108.800 -0.018 0.000 2.199 88 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.254 88 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.254 88 G C 0.488 175.373 174.900 -0.025 0.000 0.982 88 G CA -0.091 44.992 45.100 -0.027 0.000 0.632 88 G HN 0.611 nan 8.290 nan 0.000 0.529 89 I N 0.113 120.683 120.570 -0.000 0.000 6.992 89 I HA -0.162 4.008 4.170 -0.001 0.000 0.126 89 I C -1.407 174.682 176.117 -0.048 0.000 1.809 89 I CA 0.347 61.648 61.300 0.001 0.000 2.121 89 I CB -1.565 36.430 38.000 -0.008 0.000 3.531 89 I HN 0.320 nan 8.210 nan 0.000 0.194 90 P HA 0.254 nan 4.420 nan 0.000 0.268 90 P C -0.426 176.763 177.300 -0.186 0.000 1.204 90 P CA 0.310 63.313 63.100 -0.161 0.000 0.768 90 P CB 1.044 32.600 31.700 -0.240 0.000 0.842 91 K N 1.160 121.433 120.400 -0.212 0.000 2.575 91 K HA 0.434 4.753 4.320 -0.001 0.000 0.279 91 K C -1.325 175.209 176.600 -0.110 0.000 0.969 91 K CA -1.069 55.117 56.287 -0.168 0.000 0.868 91 K CB 0.700 33.094 32.500 -0.176 0.000 1.457 91 K HN 0.166 nan 8.250 nan 0.000 0.426 92 W N 1.671 123.097 121.300 0.211 0.000 2.210 92 W HA 0.249 4.909 4.660 -0.000 0.000 0.330 92 W C 0.827 177.437 176.519 0.151 0.000 1.334 92 W CA -0.403 57.029 57.345 0.144 0.000 1.227 92 W CB 0.599 30.113 29.460 0.089 0.000 1.178 92 W HN 0.468 nan 8.180 nan 0.000 0.560 93 R N 2.084 122.774 120.500 0.317 0.000 2.515 93 R HA 0.083 4.423 4.340 -0.001 0.000 0.294 93 R C 0.120 176.523 176.300 0.171 0.000 1.021 93 R CA -0.152 56.065 56.100 0.194 0.000 1.081 93 R CB -0.044 30.324 30.300 0.115 0.000 1.263 93 R HN 0.421 nan 8.270 nan 0.000 0.557 94 K N -0.953 119.565 120.400 0.197 0.000 2.400 94 K HA 0.338 4.658 4.320 -0.001 0.000 0.246 94 K C 0.325 176.943 176.600 0.029 0.000 0.995 94 K CA -0.692 55.651 56.287 0.094 0.000 0.840 94 K CB 1.821 34.359 32.500 0.064 0.000 1.293 94 K HN -0.128 nan 8.250 nan 0.000 0.445 95 T N -2.844 111.695 114.554 -0.025 0.000 2.990 95 T HA 0.064 4.414 4.350 -0.001 0.000 0.250 95 T C 0.012 174.592 174.700 -0.199 0.000 1.041 95 T CA 0.287 62.326 62.100 -0.103 0.000 1.010 95 T CB -0.354 68.487 68.868 -0.045 0.000 1.003 95 T HN 0.714 nan 8.240 nan 0.000 0.499 96 H N 0.870 119.793 119.070 -0.246 0.000 2.541 96 H HA 0.684 5.240 4.556 -0.001 0.000 0.316 96 H C -0.988 174.145 175.328 -0.326 0.000 1.043 96 H CA -1.019 54.857 56.048 -0.288 0.000 1.232 96 H CB 0.379 30.041 29.762 -0.166 0.000 1.406 96 H HN 0.187 nan 8.280 nan 0.000 0.469 97 L N 3.967 124.680 121.223 -0.850 0.000 2.330 97 L HA 0.507 4.847 4.340 -0.001 0.000 0.271 97 L C 0.237 176.812 176.870 -0.491 0.000 1.013 97 L CA -1.013 53.426 54.840 -0.669 0.000 0.816 97 L CB 2.103 43.737 42.059 -0.709 0.000 1.287 97 L HN 0.683 nan 8.230 nan 0.000 0.435 98 T N -1.669 112.718 114.554 -0.278 0.000 2.925 98 T HA 0.670 5.020 4.350 -0.001 0.000 0.285 98 T C -0.778 173.934 174.700 0.019 0.000 1.021 98 T CA -0.617 61.412 62.100 -0.118 0.000 1.042 98 T CB 1.550 70.344 68.868 -0.123 0.000 1.037 98 T HN 0.529 nan 8.240 nan 0.000 0.481 99 Y N -0.622 119.617 120.300 -0.101 0.000 2.581 99 Y HA 0.829 5.379 4.550 -0.000 0.000 0.345 99 Y C -0.666 175.160 175.900 -0.122 0.000 1.036 99 Y CA -1.563 56.478 58.100 -0.098 0.000 1.042 99 Y CB 1.869 40.267 38.460 -0.104 0.000 1.289 99 Y HN 0.966 nan 8.280 nan 0.000 0.471 100 R N 3.106 123.546 120.500 -0.101 0.000 2.548 100 R HA 0.549 4.888 4.340 -0.001 0.000 0.280 100 R C -2.098 174.163 176.300 -0.066 0.000 1.061 100 R CA -0.717 55.255 56.100 -0.213 0.000 0.915 100 R CB 1.578 31.779 30.300 -0.165 0.000 1.210 100 R HN 0.968 nan 8.270 nan 0.000 0.442 101 I N 5.652 126.159 120.570 -0.104 0.000 2.294 101 I HA 0.072 4.242 4.170 -0.001 0.000 0.295 101 I C 1.158 177.205 176.117 -0.117 0.000 1.098 101 I CA -0.309 60.916 61.300 -0.124 0.000 1.277 101 I CB 1.580 39.472 38.000 -0.179 0.000 1.434 101 I HN 0.536 nan 8.210 nan 0.000 0.498 102 V N 5.498 125.373 119.914 -0.066 0.000 2.591 102 V HA -0.101 4.018 4.120 -0.001 0.000 0.249 102 V C 0.582 176.698 176.094 0.036 0.000 1.053 102 V CA 1.288 63.593 62.300 0.008 0.000 1.068 102 V CB -0.932 30.917 31.823 0.044 0.000 0.689 102 V HN 0.981 nan 8.190 nan 0.000 0.462 103 N N -1.880 116.809 118.700 -0.019 0.000 2.825 103 N HA 0.330 5.070 4.740 -0.001 0.000 0.253 103 N C -1.599 173.906 175.510 -0.009 0.000 1.426 103 N CA -0.870 52.234 53.050 0.091 0.000 0.851 103 N CB 1.266 39.840 38.487 0.144 0.000 1.470 103 N HN 0.010 nan 8.380 nan 0.000 0.517 104 Y N -1.098 119.275 120.300 0.121 0.000 2.462 104 Y HA 0.529 5.079 4.550 -0.001 0.000 0.346 104 Y C 0.745 176.489 175.900 -0.259 0.000 0.976 104 Y CA -0.760 57.327 58.100 -0.021 0.000 1.044 104 Y CB 2.314 40.761 38.460 -0.021 0.000 1.230 104 Y HN 0.652 nan 8.280 nan 0.000 0.455 105 T N 2.855 117.018 114.554 -0.651 0.000 2.899 105 T HA 0.199 4.549 4.350 -0.001 0.000 0.295 105 T C -1.836 172.720 174.700 -0.239 0.000 1.033 105 T CA -1.683 60.035 62.100 -0.637 0.000 1.084 105 T CB 0.802 68.993 68.868 -1.128 0.000 0.979 105 T HN 0.449 nan 8.240 nan 0.000 0.532 106 P HA 0.081 nan 4.420 nan 0.000 0.229 106 P C 0.627 177.897 177.300 -0.050 0.000 1.160 106 P CA 0.404 63.469 63.100 -0.059 0.000 0.777 106 P CB 0.188 31.872 31.700 -0.028 0.000 0.814 107 D N -0.694 119.670 120.400 -0.059 0.000 2.144 107 D HA -0.014 4.626 4.640 -0.001 0.000 0.200 107 D C 0.852 177.147 176.300 -0.008 0.000 0.978 107 D CA 1.082 55.073 54.000 -0.015 0.000 0.833 107 D CB -0.067 40.761 40.800 0.046 0.000 0.961 107 D HN 0.211 nan 8.370 nan 0.000 0.470 108 L N -0.154 121.054 121.223 -0.025 0.000 2.327 108 L HA 0.438 4.778 4.340 -0.001 0.000 0.258 108 L C -2.404 174.460 176.870 -0.011 0.000 1.024 108 L CA -2.239 52.600 54.840 -0.002 0.000 0.825 108 L CB 2.024 44.098 42.059 0.025 0.000 1.386 108 L HN -0.278 nan 8.230 nan 0.000 0.417 109 P HA 0.172 nan 4.420 nan 0.000 0.271 109 P C -0.097 177.199 177.300 -0.007 0.000 1.218 109 P CA -0.463 62.625 63.100 -0.020 0.000 0.780 109 P CB 0.711 32.401 31.700 -0.017 0.000 0.901 110 K N 1.044 121.402 120.400 -0.070 0.000 2.074 110 K HA -0.189 4.131 4.320 -0.001 0.000 0.209 110 K C 1.065 177.685 176.600 0.033 0.000 1.048 110 K CA 1.833 58.048 56.287 -0.120 0.000 0.926 110 K CB -0.396 31.828 32.500 -0.461 0.000 0.713 110 K HN 0.460 nan 8.250 nan 0.000 0.444 111 D N 0.456 120.860 120.400 0.007 0.000 2.178 111 D HA -0.101 4.539 4.640 -0.001 0.000 0.201 111 D C 1.738 178.074 176.300 0.060 0.000 0.980 111 D CA 1.117 55.142 54.000 0.042 0.000 0.842 111 D CB -0.098 40.710 40.800 0.014 0.000 0.948 111 D HN 0.224 nan 8.370 nan 0.000 0.472 112 A N 0.159 123.009 122.820 0.050 0.000 1.969 112 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 112 A C 2.417 180.044 177.584 0.073 0.000 1.169 112 A CA 0.820 52.886 52.037 0.048 0.000 0.635 112 A CB -0.479 18.544 19.000 0.038 0.000 0.810 112 A HN 0.139 nan 8.150 nan 0.000 0.445 113 V N 0.515 120.501 119.914 0.121 0.000 2.307 113 V HA -0.216 3.904 4.120 -0.001 0.000 0.245 113 V C 2.176 178.339 176.094 0.115 0.000 1.045 113 V CA 2.232 64.614 62.300 0.135 0.000 1.024 113 V CB -0.798 31.174 31.823 0.249 0.000 0.651 113 V HN 0.471 nan 8.190 nan 0.000 0.449 114 D N 0.359 120.871 120.400 0.186 0.000 2.116 114 D HA -0.151 4.488 4.640 -0.001 0.000 0.193 114 D C 2.429 178.781 176.300 0.088 0.000 0.998 114 D CA 1.942 56.040 54.000 0.164 0.000 0.836 114 D CB -0.302 40.616 40.800 0.197 0.000 0.951 114 D HN 0.416 nan 8.370 nan 0.000 0.449 115 S N 0.309 116.045 115.700 0.061 0.000 2.368 115 S HA -0.078 4.391 4.470 -0.001 0.000 0.224 115 S C 2.125 176.719 174.600 -0.010 0.000 1.029 115 S CA 1.026 59.237 58.200 0.018 0.000 0.988 115 S CB -0.288 62.915 63.200 0.004 0.000 0.838 115 S HN 0.381 nan 8.310 nan 0.000 0.462 116 A N 1.324 124.148 122.820 0.007 0.000 1.933 116 A HA -0.034 4.286 4.320 -0.001 0.000 0.218 116 A C 2.342 179.945 177.584 0.032 0.000 1.175 116 A CA 1.431 53.492 52.037 0.040 0.000 0.628 116 A CB -0.903 18.142 19.000 0.075 0.000 0.814 116 A HN 0.334 nan 8.150 nan 0.000 0.444 117 V N -0.046 119.841 119.914 -0.045 0.000 2.295 117 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 117 V C 2.409 178.405 176.094 -0.163 0.000 1.049 117 V CA 2.334 64.554 62.300 -0.134 0.000 1.024 117 V CB -0.888 30.845 31.823 -0.149 0.000 0.648 117 V HN 0.647 nan 8.190 nan 0.000 0.447 118 E N -0.003 120.143 120.200 -0.090 0.000 2.058 118 E HA -0.304 4.045 4.350 -0.001 0.000 0.194 118 E C 2.285 178.843 176.600 -0.071 0.000 0.997 118 E CA 1.746 58.094 56.400 -0.087 0.000 0.801 118 E CB -0.205 29.500 29.700 0.008 0.000 0.746 118 E HN 0.530 nan 8.360 nan 0.000 0.450 119 K N 0.573 120.951 120.400 -0.037 0.000 2.057 119 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 119 K C 2.114 178.805 176.600 0.152 0.000 1.049 119 K CA 1.153 57.421 56.287 -0.031 0.000 0.931 119 K CB -0.102 32.251 32.500 -0.245 0.000 0.714 119 K HN 0.102 nan 8.250 nan 0.000 0.440 120 A N 1.129 124.082 122.820 0.222 0.000 1.933 120 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 120 A C 2.069 179.660 177.584 0.013 0.000 1.175 120 A CA 1.321 53.441 52.037 0.138 0.000 0.628 120 A CB -0.505 18.506 19.000 0.019 0.000 0.814 120 A HN 0.323 nan 8.150 nan 0.000 0.444 121 L N -1.054 120.081 121.223 -0.147 0.000 2.072 121 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 121 L C 2.525 179.357 176.870 -0.063 0.000 1.079 121 L CA 1.640 56.275 54.840 -0.343 0.000 0.752 121 L CB -0.371 41.199 42.059 -0.817 0.000 0.906 121 L HN 0.392 nan 8.230 nan 0.000 0.436 122 K N 0.262 120.654 120.400 -0.012 0.000 2.074 122 K HA -0.185 4.134 4.320 -0.001 0.000 0.209 122 K C 2.000 178.640 176.600 0.066 0.000 1.048 122 K CA 1.431 57.756 56.287 0.063 0.000 0.926 122 K CB -0.097 32.425 32.500 0.036 0.000 0.713 122 K HN 0.038 nan 8.250 nan 0.000 0.444 123 V N 0.035 119.959 119.914 0.016 0.000 2.317 123 V HA -0.283 3.836 4.120 -0.001 0.000 0.251 123 V C 1.762 177.735 176.094 -0.202 0.000 1.065 123 V CA 2.246 64.474 62.300 -0.121 0.000 1.049 123 V CB -0.562 31.105 31.823 -0.260 0.000 0.651 123 V HN 0.489 nan 8.190 nan 0.000 0.450 124 W N -0.407 120.959 121.300 0.110 0.000 2.523 124 W HA 0.033 4.692 4.660 -0.001 0.000 0.278 124 W C 2.468 179.078 176.519 0.151 0.000 1.236 124 W CA 0.711 58.134 57.345 0.129 0.000 1.306 124 W CB -0.127 29.418 29.460 0.140 0.000 1.101 124 W HN 0.186 nan 8.180 nan 0.000 0.577 125 E N 1.237 121.671 120.200 0.391 0.000 2.077 125 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 125 E C 1.674 178.370 176.600 0.160 0.000 0.989 125 E CA 1.563 58.129 56.400 0.278 0.000 0.800 125 E CB -0.051 29.825 29.700 0.294 0.000 0.746 125 E HN 0.360 nan 8.360 nan 0.000 0.452 126 E N -0.234 120.039 120.200 0.122 0.000 2.204 126 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 126 E C 1.754 178.396 176.600 0.069 0.000 0.990 126 E CA 1.355 57.799 56.400 0.073 0.000 0.821 126 E CB 0.177 29.901 29.700 0.040 0.000 0.750 126 E HN 0.306 nan 8.360 nan 0.000 0.477 127 V N -1.770 118.202 119.914 0.096 0.000 3.214 127 V HA 0.240 4.360 4.120 -0.001 0.000 0.330 127 V C 0.192 176.364 176.094 0.131 0.000 1.403 127 V CA 0.208 62.566 62.300 0.096 0.000 1.143 127 V CB -0.063 31.810 31.823 0.083 0.000 1.098 127 V HN 0.147 nan 8.190 nan 0.000 0.463 128 T N -3.964 110.669 114.554 0.131 0.000 2.731 128 T HA 0.589 4.939 4.350 -0.001 0.000 0.300 128 T C -2.883 171.855 174.700 0.064 0.000 1.283 128 T CA -0.847 61.325 62.100 0.120 0.000 1.005 128 T CB 1.414 70.370 68.868 0.145 0.000 1.420 128 T HN -0.038 nan 8.240 nan 0.000 0.503 129 P HA 0.309 nan 4.420 nan 0.000 0.245 129 P C 0.151 177.408 177.300 -0.072 0.000 1.206 129 P CA -0.043 63.058 63.100 0.002 0.000 0.781 129 P CB -0.107 31.604 31.700 0.019 0.000 0.994 130 L N 0.316 121.450 121.223 -0.150 0.000 2.453 130 L HA 0.162 4.502 4.340 -0.001 0.000 0.272 130 L C 0.955 177.622 176.870 -0.338 0.000 1.182 130 L CA 0.359 54.988 54.840 -0.351 0.000 0.858 130 L CB -0.033 41.712 42.059 -0.524 0.000 1.120 130 L HN 0.045 nan 8.230 nan 0.000 0.474 131 T N -1.006 113.273 114.554 -0.457 0.000 2.916 131 T HA 0.747 5.097 4.350 -0.001 0.000 0.292 131 T C -0.727 173.589 174.700 -0.639 0.000 1.064 131 T CA -0.752 61.194 62.100 -0.256 0.000 1.011 131 T CB 1.763 70.673 68.868 0.070 0.000 1.152 131 T HN 0.172 nan 8.240 nan 0.000 0.510 132 F N 0.766 120.691 119.950 -0.042 0.000 2.569 132 F HA 0.665 5.192 4.527 -0.001 0.000 0.312 132 F C 0.282 176.115 175.800 0.055 0.000 1.109 132 F CA -0.685 57.238 58.000 -0.128 0.000 0.919 132 F CB 2.653 41.613 39.000 -0.067 0.000 1.211 132 F HN 0.917 nan 8.300 nan 0.000 0.446 133 S N 1.951 117.743 115.700 0.153 0.000 2.568 133 S HA 0.734 5.204 4.470 -0.001 0.000 0.293 133 S C -0.970 173.599 174.600 -0.051 0.000 1.089 133 S CA -1.082 57.232 58.200 0.189 0.000 0.945 133 S CB 2.458 65.819 63.200 0.269 0.000 1.077 133 S HN 0.751 nan 8.310 nan 0.000 0.485 134 R N 1.104 121.442 120.500 -0.270 0.000 2.428 134 R HA 0.648 4.987 4.340 -0.001 0.000 0.294 134 R C -1.259 174.700 176.300 -0.568 0.000 1.000 134 R CA -0.722 54.874 56.100 -0.841 0.000 0.960 134 R CB 0.632 30.412 30.300 -0.867 0.000 1.076 134 R HN 0.760 nan 8.270 nan 0.000 0.475 135 L N 4.081 124.919 121.223 -0.643 0.000 2.334 135 L HA 0.348 4.688 4.340 -0.001 0.000 0.276 135 L C -0.425 176.107 176.870 -0.563 0.000 1.014 135 L CA -0.645 53.957 54.840 -0.396 0.000 0.815 135 L CB 1.794 43.727 42.059 -0.210 0.000 1.268 135 L HN 0.815 nan 8.230 nan 0.000 0.428 136 Y N 0.115 120.380 120.300 -0.059 0.000 2.458 136 Y HA 0.144 4.694 4.550 -0.000 0.000 0.256 136 Y C 0.549 176.447 175.900 -0.003 0.000 1.159 136 Y CA -0.453 57.635 58.100 -0.020 0.000 1.261 136 Y CB 0.536 38.993 38.460 -0.005 0.000 1.119 136 Y HN 0.546 nan 8.280 nan 0.000 0.524 137 E N -1.641 118.601 120.200 0.070 0.000 2.423 137 E HA 0.554 4.903 4.350 -0.001 0.000 0.280 137 E C -0.048 176.562 176.600 0.017 0.000 1.030 137 E CA -0.749 55.681 56.400 0.051 0.000 0.812 137 E CB 1.673 31.413 29.700 0.067 0.000 1.313 137 E HN 0.083 nan 8.360 nan 0.000 0.456 138 G N 0.968 109.779 108.800 0.018 0.000 2.725 138 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.220 138 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.220 138 G C -0.961 173.939 174.900 0.001 0.000 1.357 138 G CA -0.361 44.745 45.100 0.011 0.000 0.866 138 G HN 0.537 nan 8.290 nan 0.000 0.548 139 E N 0.456 120.658 120.200 0.003 0.000 2.194 139 E HA 0.587 4.936 4.350 -0.001 0.000 0.284 139 E C 0.723 177.317 176.600 -0.010 0.000 1.035 139 E CA 0.451 56.853 56.400 0.003 0.000 0.836 139 E CB 1.256 30.964 29.700 0.012 0.000 1.070 139 E HN 1.092 nan 8.360 nan 0.000 0.401 140 A N 3.207 126.017 122.820 -0.017 0.000 2.294 140 A HA 0.276 4.596 4.320 -0.001 0.000 0.330 140 A C 0.822 178.397 177.584 -0.015 0.000 1.133 140 A CA -0.597 51.416 52.037 -0.040 0.000 0.836 140 A CB 0.689 19.647 19.000 -0.070 0.000 1.190 140 A HN 0.490 nan 8.150 nan 0.000 0.492 141 D N 0.368 120.730 120.400 -0.063 0.000 2.106 141 D HA -0.111 4.528 4.640 -0.001 0.000 0.191 141 D C 0.364 176.689 176.300 0.041 0.000 0.997 141 D CA 1.742 55.695 54.000 -0.079 0.000 0.834 141 D CB -0.035 40.490 40.800 -0.459 0.000 0.956 141 D HN 0.525 nan 8.370 nan 0.000 0.448 142 I N 2.110 122.690 120.570 0.017 0.000 2.310 142 I HA 0.095 4.265 4.170 -0.001 0.000 0.287 142 I C -0.011 176.162 176.117 0.095 0.000 1.073 142 I CA -0.325 61.030 61.300 0.092 0.000 1.216 142 I CB 0.844 38.892 38.000 0.080 0.000 1.415 142 I HN -0.226 nan 8.210 nan 0.000 0.480 143 M N 7.148 126.803 119.600 0.090 0.000 2.120 143 M HA 0.446 4.926 4.480 -0.001 0.000 0.354 143 M C -0.317 176.048 176.300 0.109 0.000 1.287 143 M CA -0.132 55.220 55.300 0.086 0.000 1.103 143 M CB 1.085 33.739 32.600 0.090 0.000 1.623 143 M HN 0.388 nan 8.290 nan 0.000 0.471 144 I N 2.909 123.531 120.570 0.087 0.000 2.404 144 I HA 0.470 4.640 4.170 -0.001 0.000 0.293 144 I C 0.077 176.208 176.117 0.024 0.000 0.992 144 I CA -0.250 61.096 61.300 0.078 0.000 1.149 144 I CB 1.813 39.830 38.000 0.028 0.000 1.315 144 I HN 0.751 nan 8.210 nan 0.000 0.446 145 S N 4.396 120.130 115.700 0.057 0.000 2.625 145 S HA 0.670 5.139 4.470 -0.001 0.000 0.271 145 S C -1.049 173.463 174.600 -0.146 0.000 1.161 145 S CA -0.898 57.299 58.200 -0.004 0.000 0.820 145 S CB 1.531 64.795 63.200 0.107 0.000 1.137 145 S HN 0.269 nan 8.310 nan 0.000 0.470 146 F N 0.782 120.745 119.950 0.021 0.000 2.422 146 F HA 0.821 5.348 4.527 -0.001 0.000 0.333 146 F C 0.667 176.468 175.800 0.002 0.000 1.095 146 F CA -0.139 57.867 58.000 0.011 0.000 1.038 146 F CB 1.913 40.888 39.000 -0.041 0.000 1.156 146 F HN 1.016 nan 8.300 nan 0.000 0.483 147 A N 1.613 124.513 122.820 0.134 0.000 2.539 147 A HA 0.826 5.146 4.320 -0.001 0.000 0.296 147 A C -1.414 176.268 177.584 0.164 0.000 1.073 147 A CA -0.797 51.261 52.037 0.036 0.000 0.700 147 A CB 1.750 20.477 19.000 -0.455 0.000 1.296 147 A HN 0.903 nan 8.150 nan 0.000 0.405 148 V N 0.554 120.577 119.914 0.183 0.000 2.487 148 V HA 0.801 4.920 4.120 -0.001 0.000 0.298 148 V C 0.623 176.885 176.094 0.281 0.000 1.028 148 V CA -0.691 61.744 62.300 0.226 0.000 0.860 148 V CB 1.124 33.041 31.823 0.157 0.000 0.991 148 V HN 1.199 nan 8.190 nan 0.000 0.427 149 R N 1.772 122.480 120.500 0.346 0.000 3.869 149 R HA -0.197 4.142 4.340 -0.001 0.000 0.424 149 R C 0.411 176.908 176.300 0.328 0.000 0.241 149 R CA 1.929 58.210 56.100 0.302 0.000 1.351 149 R CB -1.434 28.981 30.300 0.192 0.000 0.979 149 R HN 1.219 nan 8.270 nan 0.000 0.572 150 E N 5.507 125.833 120.200 0.211 0.000 2.290 150 E HA 0.061 4.410 4.350 -0.001 0.000 0.277 150 E C 0.578 177.295 176.600 0.193 0.000 1.035 150 E CA 0.308 56.792 56.400 0.140 0.000 0.873 150 E CB 0.197 29.939 29.700 0.071 0.000 1.029 150 E HN 0.811 nan 8.360 nan 0.000 0.419 151 H N 1.849 120.943 119.070 0.039 0.000 2.904 151 H HA 0.318 4.874 4.556 -0.001 0.000 0.242 151 H C 0.664 175.992 175.328 -0.002 0.000 1.193 151 H CA -0.259 55.801 56.048 0.020 0.000 0.946 151 H CB -0.114 29.655 29.762 0.012 0.000 2.135 151 H HN 0.710 nan 8.280 nan 0.000 0.652 152 G N 1.619 110.347 108.800 -0.121 0.000 2.157 152 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.239 152 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.239 152 G C -0.253 174.580 174.900 -0.111 0.000 0.982 152 G CA 0.424 45.477 45.100 -0.077 0.000 0.650 152 G HN 0.795 nan 8.290 nan 0.000 0.527 153 D N -1.448 118.815 120.400 -0.228 0.000 2.727 153 D HA 0.667 5.307 4.640 -0.001 0.000 0.264 153 D C 0.727 177.010 176.300 -0.028 0.000 1.101 153 D CA -1.298 52.621 54.000 -0.135 0.000 1.122 153 D CB -0.223 40.550 40.800 -0.046 0.000 1.390 153 D HN -0.150 nan 8.370 nan 0.000 0.606 154 F N -1.321 118.416 119.950 -0.354 0.000 2.710 154 F HA 0.194 4.721 4.527 -0.000 0.000 0.298 154 F C 0.027 175.362 175.800 -0.775 0.000 1.137 154 F CA -0.152 57.459 58.000 -0.647 0.000 1.444 154 F CB -0.677 37.751 39.000 -0.954 0.000 1.111 154 F HN 0.198 nan 8.300 nan 0.000 0.580 155 Y N 0.711 121.017 120.300 0.011 0.000 2.646 155 Y HA 0.419 4.969 4.550 -0.001 0.000 0.334 155 Y C -2.424 173.443 175.900 -0.054 0.000 1.004 155 Y CA -3.548 54.527 58.100 -0.043 0.000 1.301 155 Y CB 0.302 38.663 38.460 -0.165 0.000 1.093 155 Y HN -0.189 nan 8.280 nan 0.000 0.530 156 P HA 0.029 nan 4.420 nan 0.000 0.268 156 P C -0.121 177.275 177.300 0.159 0.000 1.205 156 P CA 0.149 63.310 63.100 0.101 0.000 0.771 156 P CB 0.722 32.481 31.700 0.099 0.000 0.858 157 F N 1.552 121.726 119.950 0.374 0.000 2.426 157 F HA 0.063 4.590 4.527 -0.001 0.000 0.309 157 F C 1.721 177.624 175.800 0.172 0.000 1.246 157 F CA 0.281 58.426 58.000 0.241 0.000 1.229 157 F CB 0.481 39.569 39.000 0.146 0.000 1.255 157 F HN 0.359 nan 8.300 nan 0.000 0.558 158 D N -0.445 120.196 120.400 0.401 0.000 2.623 158 D HA 0.339 4.979 4.640 -0.001 0.000 0.252 158 D C 0.316 176.704 176.300 0.146 0.000 1.294 158 D CA 0.222 54.358 54.000 0.226 0.000 0.824 158 D CB 0.105 41.028 40.800 0.205 0.000 1.070 158 D HN 0.777 nan 8.370 nan 0.000 0.487 159 G N 1.015 109.896 108.800 0.136 0.000 2.828 159 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.463 159 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.463 159 G C -2.705 172.210 174.900 0.026 0.000 1.394 159 G CA -0.867 44.277 45.100 0.074 0.000 0.862 159 G HN 0.202 nan 8.290 nan 0.000 0.540 160 P HA 0.376 nan 4.420 nan 0.000 0.263 160 P C 1.058 178.328 177.300 -0.050 0.000 1.175 160 P CA 2.169 65.238 63.100 -0.051 0.000 0.761 160 P CB 0.241 31.913 31.700 -0.047 0.000 0.794 161 G N 2.586 111.331 108.800 -0.093 0.000 2.804 161 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.230 161 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.230 161 G C 0.201 175.078 174.900 -0.038 0.000 1.386 161 G CA 0.005 45.058 45.100 -0.078 0.000 0.875 161 G HN 0.655 nan 8.290 nan 0.000 0.557 162 N N -2.610 116.076 118.700 -0.022 0.000 1.742 162 N HA -0.255 4.485 4.740 -0.001 0.000 0.162 162 N C 0.821 176.342 175.510 0.019 0.000 0.678 162 N CA 1.678 54.735 53.050 0.012 0.000 1.210 162 N CB -1.308 37.202 38.487 0.039 0.000 1.358 162 N HN 1.514 nan 8.380 nan 0.000 0.440 163 V N 2.989 122.946 119.914 0.072 0.000 2.521 163 V HA 0.063 4.183 4.120 -0.001 0.000 0.286 163 V C 1.672 177.784 176.094 0.031 0.000 1.034 163 V CA 0.279 62.645 62.300 0.111 0.000 1.045 163 V CB 0.667 32.642 31.823 0.254 0.000 0.974 163 V HN 0.320 nan 8.190 nan 0.000 0.480 164 L N 4.067 125.286 121.223 -0.006 0.000 2.354 164 L HA 0.495 4.835 4.340 -0.001 0.000 0.212 164 L C 0.842 177.677 176.870 -0.059 0.000 1.091 164 L CA 0.952 55.768 54.840 -0.040 0.000 0.828 164 L CB 0.047 42.103 42.059 -0.005 0.000 0.973 164 L HN 0.816 nan 8.230 nan 0.000 0.461 165 A N -0.952 121.832 122.820 -0.060 0.000 2.452 165 A HA 0.528 4.848 4.320 -0.001 0.000 0.294 165 A C -1.535 176.110 177.584 0.101 0.000 1.010 165 A CA -0.659 51.277 52.037 -0.169 0.000 0.613 165 A CB 0.760 19.520 19.000 -0.400 0.000 1.363 165 A HN 0.325 nan 8.150 nan 0.000 0.463 166 H N -1.238 117.904 119.070 0.119 0.000 3.037 166 H HA 0.886 5.441 4.556 -0.001 0.000 0.355 166 H C -0.699 174.480 175.328 -0.248 0.000 1.263 166 H CA -0.662 55.359 56.048 -0.046 0.000 1.129 166 H CB 1.684 31.386 29.762 -0.099 0.000 1.861 166 H HN 1.860 nan 8.280 nan 0.000 0.546 167 A N 1.356 124.098 122.820 -0.130 0.000 2.587 167 A HA 0.567 4.887 4.320 -0.001 0.000 0.293 167 A C -2.202 175.149 177.584 -0.388 0.000 1.087 167 A CA -0.795 51.127 52.037 -0.191 0.000 0.692 167 A CB 1.645 20.660 19.000 0.024 0.000 1.291 167 A HN 0.565 nan 8.150 nan 0.000 0.407 168 Y N 0.867 121.095 120.300 -0.120 0.000 2.360 168 Y HA 0.571 5.120 4.550 -0.001 0.000 0.337 168 Y C 1.015 176.731 175.900 -0.308 0.000 1.039 168 Y CA 0.140 58.096 58.100 -0.239 0.000 1.109 168 Y CB 1.790 40.117 38.460 -0.222 0.000 1.201 168 Y HN 0.970 nan 8.280 nan 0.000 0.458 169 A N 4.803 127.297 122.820 -0.544 0.000 2.521 169 A HA 0.225 4.545 4.320 -0.001 0.000 0.237 169 A C -2.475 174.820 177.584 -0.481 0.000 1.087 169 A CA -1.079 50.508 52.037 -0.751 0.000 0.777 169 A CB -0.512 17.572 19.000 -1.526 0.000 1.035 169 A HN 0.497 nan 8.150 nan 0.000 0.510 170 P HA 0.411 nan 4.420 nan 0.000 0.266 170 P C 0.497 177.241 177.300 -0.926 0.000 1.195 170 P CA 1.412 63.837 63.100 -1.125 0.000 0.768 170 P CB 0.667 31.498 31.700 -1.447 0.000 0.838 171 G N 2.326 110.514 108.800 -1.020 0.000 2.356 171 G HA2 0.224 4.184 3.960 -0.001 0.000 0.288 171 G HA3 0.224 4.184 3.960 -0.001 0.000 0.288 171 G C -3.333 171.442 174.900 -0.208 0.000 1.302 171 G CA -0.811 44.007 45.100 -0.471 0.000 0.887 171 G HN 0.348 nan 8.290 nan 0.000 0.521 172 P HA 0.542 nan 4.420 nan 0.000 0.278 172 P C 1.170 178.449 177.300 -0.036 0.000 1.266 172 P CA 1.288 64.385 63.100 -0.005 0.000 0.807 172 P CB 0.994 32.682 31.700 -0.020 0.000 1.094 173 G N 0.955 109.747 108.800 -0.012 0.000 2.611 173 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.301 173 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.301 173 G C 0.964 175.812 174.900 -0.086 0.000 1.233 173 G CA 0.388 45.457 45.100 -0.052 0.000 0.993 173 G HN 0.568 nan 8.290 nan 0.000 0.553 174 I N 2.139 122.593 120.570 -0.194 0.000 2.530 174 I HA -0.064 4.105 4.170 -0.001 0.000 0.257 174 I C 1.170 177.057 176.117 -0.382 0.000 1.179 174 I CA 0.751 61.846 61.300 -0.343 0.000 1.440 174 I CB -0.356 37.304 38.000 -0.566 0.000 1.087 174 I HN 0.417 nan 8.210 nan 0.000 0.440 175 N N 1.360 119.906 118.700 -0.256 0.000 2.454 175 N HA 0.027 4.766 4.740 -0.001 0.000 0.254 175 N C 1.028 176.553 175.510 0.025 0.000 1.228 175 N CA 1.319 54.276 53.050 -0.156 0.000 0.900 175 N CB 0.829 39.184 38.487 -0.221 0.000 1.089 175 N HN 0.486 nan 8.380 nan 0.000 0.449 176 G N 1.432 110.291 108.800 0.098 0.000 2.267 176 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.257 176 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.257 176 G C -0.167 174.876 174.900 0.237 0.000 0.998 176 G CA 0.185 45.485 45.100 0.335 0.000 0.620 176 G HN 0.599 nan 8.290 nan 0.000 0.529 177 D N 0.924 121.417 120.400 0.156 0.000 2.344 177 D HA 0.652 5.291 4.640 -0.001 0.000 0.244 177 D C 0.525 176.844 176.300 0.032 0.000 1.134 177 D CA 0.930 54.983 54.000 0.089 0.000 0.930 177 D CB 1.364 42.178 40.800 0.023 0.000 1.175 177 D HN 0.910 nan 8.370 nan 0.000 0.437 178 A N 1.196 123.982 122.820 -0.058 0.000 2.393 178 A HA 0.594 4.914 4.320 -0.001 0.000 0.306 178 A C -1.182 176.280 177.584 -0.203 0.000 1.050 178 A CA -0.638 51.285 52.037 -0.190 0.000 0.724 178 A CB 0.864 19.777 19.000 -0.146 0.000 1.248 178 A HN 0.681 nan 8.150 nan 0.000 0.424 179 H N 0.071 119.003 119.070 -0.229 0.000 2.572 179 H HA 0.604 5.159 4.556 -0.001 0.000 0.359 179 H C -1.655 173.332 175.328 -0.569 0.000 1.134 179 H CA -0.485 55.456 56.048 -0.178 0.000 1.187 179 H CB 2.029 31.849 29.762 0.096 0.000 1.597 179 H HN 0.561 nan 8.280 nan 0.000 0.524 180 F N 0.982 120.785 119.950 -0.245 0.000 2.493 180 F HA 0.108 4.635 4.527 -0.001 0.000 0.329 180 F C 0.167 175.740 175.800 -0.378 0.000 1.126 180 F CA -0.965 56.746 58.000 -0.483 0.000 0.937 180 F CB 1.359 39.743 39.000 -1.027 0.000 1.146 180 F HN 0.508 nan 8.300 nan 0.000 0.442 181 D N 2.887 122.973 120.400 -0.523 0.000 2.363 181 D HA -0.054 4.585 4.640 -0.001 0.000 0.263 181 D C 0.674 177.128 176.300 0.256 0.000 1.258 181 D CA 0.537 54.214 54.000 -0.537 0.000 0.907 181 D CB 0.579 40.879 40.800 -0.833 0.000 1.107 181 D HN 0.493 nan 8.370 nan 0.000 0.495 182 D N 2.326 122.894 120.400 0.280 0.000 2.363 182 D HA -0.083 4.557 4.640 -0.001 0.000 0.226 182 D C 0.389 176.776 176.300 0.145 0.000 1.020 182 D CA 0.213 54.433 54.000 0.367 0.000 0.892 182 D CB 0.357 41.319 40.800 0.269 0.000 0.900 182 D HN 0.426 nan 8.370 nan 0.000 0.531 183 D N 0.516 120.951 120.400 0.059 0.000 2.363 183 D HA -0.026 4.613 4.640 -0.001 0.000 0.226 183 D C 0.230 176.462 176.300 -0.114 0.000 1.020 183 D CA 0.468 54.463 54.000 -0.008 0.000 0.892 183 D CB 0.371 41.178 40.800 0.012 0.000 0.900 183 D HN 0.228 nan 8.370 nan 0.000 0.531 184 E N 0.294 120.369 120.200 -0.209 0.000 2.248 184 E HA 0.220 4.569 4.350 -0.001 0.000 0.272 184 E C -0.106 176.115 176.600 -0.631 0.000 1.008 184 E CA -0.687 55.389 56.400 -0.538 0.000 0.856 184 E CB 1.019 30.148 29.700 -0.952 0.000 1.120 184 E HN -0.127 nan 8.360 nan 0.000 0.397 185 Q N 1.748 121.203 119.800 -0.575 0.000 2.441 185 Q HA 0.170 4.509 4.340 -0.001 0.000 0.234 185 Q C -1.479 174.262 176.000 -0.431 0.000 1.078 185 Q CA -0.210 55.371 55.803 -0.371 0.000 0.907 185 Q CB 0.053 28.664 28.738 -0.213 0.000 1.269 185 Q HN 0.357 nan 8.270 nan 0.000 0.502 186 W N 3.174 124.451 121.300 -0.039 0.000 2.253 186 W HA 0.324 4.984 4.660 -0.000 0.000 0.322 186 W C 0.615 177.122 176.519 -0.019 0.000 1.342 186 W CA -0.205 57.129 57.345 -0.018 0.000 1.218 186 W CB 0.809 30.280 29.460 0.020 0.000 1.205 186 W HN 0.569 nan 8.180 nan 0.000 0.551 187 T N -1.057 113.626 114.554 0.214 0.000 2.864 187 T HA 0.364 4.713 4.350 -0.001 0.000 0.289 187 T C 0.403 175.188 174.700 0.142 0.000 1.082 187 T CA -1.102 61.076 62.100 0.131 0.000 1.009 187 T CB 2.137 71.045 68.868 0.067 0.000 1.234 187 T HN 0.516 nan 8.240 nan 0.000 0.526 188 K N -0.078 120.378 120.400 0.093 0.000 2.352 188 K HA 0.119 4.438 4.320 -0.001 0.000 0.194 188 K C -0.058 176.583 176.600 0.069 0.000 1.038 188 K CA 0.373 56.705 56.287 0.075 0.000 1.023 188 K CB 0.070 32.596 32.500 0.043 0.000 0.840 188 K HN 0.762 nan 8.250 nan 0.000 0.519 189 D N -1.305 119.137 120.400 0.070 0.000 2.658 189 D HA 0.013 4.653 4.640 -0.001 0.000 0.243 189 D C 0.403 176.757 176.300 0.090 0.000 1.159 189 D CA -0.354 53.686 54.000 0.067 0.000 1.084 189 D CB 0.321 41.147 40.800 0.044 0.000 1.227 189 D HN -0.044 nan 8.370 nan 0.000 0.636 190 T N -3.697 110.905 114.554 0.080 0.000 3.145 190 T HA 0.112 4.462 4.350 -0.001 0.000 0.255 190 T C 1.340 176.085 174.700 0.075 0.000 1.039 190 T CA 0.417 62.577 62.100 0.100 0.000 0.928 190 T CB -0.937 67.984 68.868 0.087 0.000 1.029 190 T HN 0.529 nan 8.240 nan 0.000 0.554 191 T N -1.444 113.138 114.554 0.046 0.000 2.962 191 T HA 0.261 4.611 4.350 -0.001 0.000 0.270 191 T C 1.386 176.084 174.700 -0.003 0.000 1.088 191 T CA 0.717 62.830 62.100 0.022 0.000 1.127 191 T CB -0.266 68.609 68.868 0.012 0.000 0.883 191 T HN 0.503 nan 8.240 nan 0.000 0.493 192 G N 0.465 109.256 108.800 -0.015 0.000 3.356 192 G HA2 0.519 4.479 3.960 -0.001 0.000 0.178 192 G HA3 0.519 4.479 3.960 -0.001 0.000 0.178 192 G C -0.967 173.858 174.900 -0.126 0.000 1.130 192 G CA -0.462 44.580 45.100 -0.097 0.000 0.800 192 G HN 0.272 nan 8.290 nan 0.000 0.669 193 T N 1.806 116.190 114.554 -0.283 0.000 2.756 193 T HA 0.308 4.657 4.350 -0.001 0.000 0.290 193 T C 0.019 174.718 174.700 -0.003 0.000 0.985 193 T CA -0.467 61.400 62.100 -0.389 0.000 0.955 193 T CB 0.793 69.118 68.868 -0.905 0.000 0.930 193 T HN 0.418 nan 8.240 nan 0.000 0.451 194 N N 3.367 122.195 118.700 0.214 0.000 2.414 194 N HA -0.038 4.702 4.740 -0.001 0.000 0.268 194 N C 1.009 176.747 175.510 0.380 0.000 1.286 194 N CA -0.337 52.891 53.050 0.297 0.000 0.896 194 N CB 0.557 39.219 38.487 0.292 0.000 1.093 194 N HN 0.426 nan 8.380 nan 0.000 0.480 195 L N 6.951 128.402 121.223 0.380 0.000 2.046 195 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 195 L C 1.865 178.781 176.870 0.077 0.000 1.077 195 L CA 1.667 56.639 54.840 0.221 0.000 0.747 195 L CB -1.043 41.074 42.059 0.097 0.000 0.896 195 L HN 0.677 nan 8.230 nan 0.000 0.432 196 F N -0.202 119.738 119.950 -0.017 0.000 2.069 196 F HA -0.242 4.285 4.527 -0.001 0.000 0.298 196 F C 2.032 177.777 175.800 -0.091 0.000 1.113 196 F CA 1.985 59.929 58.000 -0.094 0.000 1.214 196 F CB -0.662 38.262 39.000 -0.127 0.000 0.978 196 F HN 0.068 nan 8.300 nan 0.000 0.474 197 L N -0.278 120.669 121.223 -0.460 0.000 2.046 197 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 197 L C 2.413 179.194 176.870 -0.150 0.000 1.077 197 L CA 1.192 55.699 54.840 -0.555 0.000 0.747 197 L CB -0.791 41.135 42.059 -0.223 0.000 0.896 197 L HN 0.092 nan 8.230 nan 0.000 0.432 198 V N -0.194 119.786 119.914 0.109 0.000 2.427 198 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 198 V C 2.702 178.958 176.094 0.271 0.000 1.051 198 V CA 1.592 64.043 62.300 0.251 0.000 1.048 198 V CB -0.809 31.266 31.823 0.420 0.000 0.666 198 V HN 0.456 nan 8.190 nan 0.000 0.456 199 A N 0.326 123.239 122.820 0.156 0.000 1.877 199 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 199 A C 2.448 180.090 177.584 0.097 0.000 1.186 199 A CA 2.123 54.257 52.037 0.163 0.000 0.620 199 A CB -0.870 18.071 19.000 -0.098 0.000 0.822 199 A HN 0.557 nan 8.150 nan 0.000 0.443 200 A N -0.954 121.816 122.820 -0.085 0.000 1.933 200 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 200 A C 2.007 179.755 177.584 0.274 0.000 1.175 200 A CA 2.118 54.169 52.037 0.022 0.000 0.628 200 A CB -0.892 17.856 19.000 -0.421 0.000 0.814 200 A HN 0.855 nan 8.150 nan 0.000 0.444 201 H N -0.711 118.399 119.070 0.067 0.000 2.357 201 H HA -0.061 4.494 4.556 -0.001 0.000 0.301 201 H C 1.925 177.247 175.328 -0.010 0.000 1.082 201 H CA 1.607 57.708 56.048 0.088 0.000 1.342 201 H CB 0.111 29.919 29.762 0.077 0.000 1.389 201 H HN 0.354 nan 8.280 nan 0.000 0.511 202 E N 0.717 121.029 120.200 0.186 0.000 2.047 202 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 202 E C 2.442 179.046 176.600 0.007 0.000 0.987 202 E CA 1.009 57.467 56.400 0.097 0.000 0.799 202 E CB -0.257 29.446 29.700 0.005 0.000 0.752 202 E HN 0.610 nan 8.360 nan 0.000 0.449 203 I N 1.043 121.632 120.570 0.032 0.000 2.423 203 I HA -0.201 3.969 4.170 -0.001 0.000 0.254 203 I C 2.323 178.272 176.117 -0.280 0.000 1.151 203 I CA 1.198 62.462 61.300 -0.059 0.000 1.421 203 I CB -0.409 37.570 38.000 -0.034 0.000 1.079 203 I HN 0.105 nan 8.210 nan 0.000 0.431 204 G N -0.062 108.538 108.800 -0.333 0.000 2.418 204 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 204 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 204 G C 1.513 176.196 174.900 -0.363 0.000 1.158 204 G CA 0.637 45.350 45.100 -0.645 0.000 0.771 204 G HN 0.368 nan 8.290 nan 0.000 0.545 205 H N 0.749 119.756 119.070 -0.105 0.000 2.395 205 H HA 0.050 4.606 4.556 -0.001 0.000 0.299 205 H C 2.965 178.363 175.328 0.118 0.000 1.070 205 H CA 1.213 57.326 56.048 0.108 0.000 1.356 205 H CB -0.441 29.402 29.762 0.135 0.000 1.401 205 H HN 0.262 nan 8.280 nan 0.000 0.524 206 S N 0.472 116.270 115.700 0.164 0.000 2.419 206 S HA -0.062 4.408 4.470 -0.001 0.000 0.235 206 S C 2.102 176.900 174.600 0.331 0.000 1.019 206 S CA 0.691 59.011 58.200 0.201 0.000 0.982 206 S CB -0.098 63.203 63.200 0.167 0.000 0.789 206 S HN 0.283 nan 8.310 nan 0.000 0.490 207 L N -0.149 121.187 121.223 0.189 0.000 2.607 207 L HA 0.297 4.637 4.340 -0.001 0.000 0.228 207 L C 1.524 178.547 176.870 0.255 0.000 1.123 207 L CA 0.367 55.384 54.840 0.296 0.000 0.890 207 L CB 0.097 42.173 42.059 0.027 0.000 1.103 207 L HN 0.463 nan 8.230 nan 0.000 0.468 208 G N 0.372 109.285 108.800 0.188 0.000 2.154 208 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.186 208 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.186 208 G C -0.057 175.021 174.900 0.296 0.000 1.000 208 G CA -0.573 44.683 45.100 0.259 0.000 0.664 208 G HN 0.127 nan 8.290 nan 0.000 0.513 209 L N 0.574 121.896 121.223 0.164 0.000 2.289 209 L HA 0.709 5.048 4.340 -0.001 0.000 0.285 209 L C 0.712 177.600 176.870 0.031 0.000 1.049 209 L CA -1.015 53.854 54.840 0.049 0.000 0.804 209 L CB 1.235 43.255 42.059 -0.066 0.000 1.195 209 L HN 0.190 nan 8.230 nan 0.000 0.428 210 F N 1.484 121.227 119.950 -0.345 0.000 2.294 210 F HA 0.340 4.867 4.527 -0.001 0.000 0.319 210 F C 0.687 176.382 175.800 -0.176 0.000 1.107 210 F CA -0.664 56.988 58.000 -0.581 0.000 1.094 210 F CB 0.732 39.242 39.000 -0.816 0.000 1.508 210 F HN 0.378 nan 8.300 nan 0.000 0.506 211 H N 0.410 118.919 119.070 -0.935 0.000 2.764 211 H HA 0.148 4.704 4.556 -0.001 0.000 0.341 211 H C -0.284 174.906 175.328 -0.231 0.000 1.072 211 H CA -0.243 55.500 56.048 -0.508 0.000 1.444 211 H CB 1.075 30.432 29.762 -0.674 0.000 1.458 211 H HN 0.333 nan 8.280 nan 0.000 0.572 212 S N 1.449 117.210 115.700 0.101 0.000 2.610 212 S HA 0.391 4.861 4.470 -0.001 0.000 0.273 212 S C 1.018 175.719 174.600 0.168 0.000 1.274 212 S CA -0.266 58.025 58.200 0.152 0.000 1.023 212 S CB 0.934 64.269 63.200 0.224 0.000 0.962 212 S HN 0.767 nan 8.310 nan 0.000 0.523 213 A N 3.398 126.314 122.820 0.160 0.000 2.195 213 A HA 0.229 4.548 4.320 -0.001 0.000 0.210 213 A C 0.908 178.642 177.584 0.251 0.000 1.165 213 A CA -0.044 52.107 52.037 0.190 0.000 0.806 213 A CB -0.375 18.685 19.000 0.100 0.000 0.847 213 A HN 0.741 nan 8.150 nan 0.000 0.482 214 N N 1.490 120.313 118.700 0.205 0.000 2.405 214 N HA 0.019 4.759 4.740 -0.001 0.000 0.260 214 N C 1.379 176.905 175.510 0.028 0.000 1.152 214 N CA 0.906 54.021 53.050 0.109 0.000 0.948 214 N CB 0.964 39.512 38.487 0.101 0.000 1.111 214 N HN 0.375 nan 8.380 nan 0.000 0.485 215 T N 0.472 114.909 114.554 -0.195 0.000 2.822 215 T HA -0.197 4.153 4.350 -0.001 0.000 0.270 215 T C 1.178 175.693 174.700 -0.308 0.000 1.064 215 T CA 1.254 63.012 62.100 -0.571 0.000 1.131 215 T CB -0.040 68.557 68.868 -0.451 0.000 0.858 215 T HN 0.636 nan 8.240 nan 0.000 0.483 216 E N 0.929 121.060 120.200 -0.115 0.000 2.481 216 E HA 0.353 4.703 4.350 -0.001 0.000 0.195 216 E C 0.847 177.463 176.600 0.026 0.000 1.047 216 E CA -0.097 56.278 56.400 -0.042 0.000 0.867 216 E CB -0.015 29.666 29.700 -0.030 0.000 0.858 216 E HN 0.735 nan 8.360 nan 0.000 0.513 217 A N 0.574 123.441 122.820 0.078 0.000 2.304 217 A HA 0.162 4.482 4.320 -0.001 0.000 0.271 217 A C 0.759 178.463 177.584 0.201 0.000 1.091 217 A CA -0.411 51.711 52.037 0.141 0.000 0.812 217 A CB 0.562 19.676 19.000 0.189 0.000 1.056 217 A HN 0.333 nan 8.150 nan 0.000 0.489 218 L N 1.038 122.382 121.223 0.202 0.000 2.201 218 L HA -0.026 4.314 4.340 -0.001 0.000 0.212 218 L C 1.585 178.678 176.870 0.373 0.000 1.105 218 L CA 1.751 56.750 54.840 0.265 0.000 0.775 218 L CB -0.352 41.864 42.059 0.261 0.000 0.913 218 L HN 0.628 nan 8.230 nan 0.000 0.440 219 M N -1.101 118.674 119.600 0.291 0.000 2.628 219 M HA 0.029 4.509 4.480 -0.001 0.000 0.232 219 M C 0.042 176.552 176.300 0.350 0.000 1.128 219 M CA -0.215 55.217 55.300 0.220 0.000 1.040 219 M CB -1.534 31.115 32.600 0.081 0.000 1.608 219 M HN 0.197 nan 8.290 nan 0.000 0.507 220 Y N 3.994 124.416 120.300 0.203 0.000 2.610 220 Y HA 0.039 4.588 4.550 -0.001 0.000 0.332 220 Y C -1.121 174.787 175.900 0.013 0.000 1.201 220 Y CA -0.964 57.190 58.100 0.090 0.000 1.465 220 Y CB 0.719 39.221 38.460 0.069 0.000 1.283 220 Y HN 0.078 nan 8.280 nan 0.000 0.563 221 P HA -0.120 nan 4.420 nan 0.000 0.228 221 P C -0.431 176.594 177.300 -0.458 0.000 1.151 221 P CA 1.216 63.797 63.100 -0.864 0.000 0.770 221 P CB 0.317 31.389 31.700 -1.047 0.000 0.786 222 L N -0.065 121.007 121.223 -0.252 0.000 2.287 222 L HA 0.322 4.662 4.340 -0.001 0.000 0.287 222 L C 0.356 177.342 176.870 0.194 0.000 1.022 222 L CA -1.270 53.608 54.840 0.064 0.000 0.814 222 L CB 0.809 43.008 42.059 0.232 0.000 1.217 222 L HN -0.073 nan 8.230 nan 0.000 0.420 223 Y N 3.834 124.135 120.300 0.003 0.000 2.379 223 Y HA 0.218 4.768 4.550 -0.001 0.000 0.337 223 Y C 0.026 175.983 175.900 0.096 0.000 1.238 223 Y CA -0.027 58.072 58.100 -0.001 0.000 1.405 223 Y CB 0.539 38.971 38.460 -0.047 0.000 1.310 223 Y HN 0.633 nan 8.280 nan 0.000 0.569 224 H N -0.025 118.650 119.070 -0.658 0.000 2.974 224 H HA 0.509 5.065 4.556 -0.000 0.000 0.366 224 H C -1.516 173.453 175.328 -0.597 0.000 1.155 224 H CA -0.989 54.830 56.048 -0.383 0.000 1.186 224 H CB 0.608 30.273 29.762 -0.162 0.000 1.799 224 H HN 0.480 nan 8.280 nan 0.000 0.541 225 S N 3.319 118.965 115.700 -0.090 0.000 2.455 225 S HA 0.286 4.755 4.470 -0.001 0.000 0.278 225 S C -0.253 174.372 174.600 0.042 0.000 1.216 225 S CA -0.741 57.436 58.200 -0.038 0.000 1.055 225 S CB 0.279 63.550 63.200 0.118 0.000 0.939 225 S HN 0.616 nan 8.310 nan 0.000 0.494 226 L N 4.117 125.301 121.223 -0.065 0.000 2.345 226 L HA 0.346 4.685 4.340 -0.001 0.000 0.274 226 L C 1.328 178.226 176.870 0.047 0.000 0.999 226 L CA -0.137 54.722 54.840 0.031 0.000 0.849 226 L CB 0.944 42.988 42.059 -0.024 0.000 1.220 226 L HN 0.854 nan 8.230 nan 0.000 0.422 227 T N -0.492 114.099 114.554 0.061 0.000 2.848 227 T HA -0.136 4.214 4.350 -0.001 0.000 0.269 227 T C 0.462 175.198 174.700 0.060 0.000 1.081 227 T CA 1.256 63.389 62.100 0.054 0.000 1.125 227 T CB -0.537 68.358 68.868 0.045 0.000 0.848 227 T HN 0.563 nan 8.240 nan 0.000 0.503 228 D N 1.212 121.658 120.400 0.076 0.000 2.483 228 D HA 0.362 5.001 4.640 -0.001 0.000 0.220 228 D C 0.782 177.163 176.300 0.136 0.000 1.173 228 D CA -0.086 53.968 54.000 0.091 0.000 0.964 228 D CB 0.946 41.799 40.800 0.089 0.000 1.046 228 D HN 0.395 nan 8.370 nan 0.000 0.517 229 L N 0.734 122.020 121.223 0.105 0.000 2.609 229 L HA -0.009 4.331 4.340 -0.001 0.000 0.230 229 L C 2.363 179.271 176.870 0.063 0.000 1.087 229 L CA 0.337 55.245 54.840 0.115 0.000 0.874 229 L CB 0.193 42.291 42.059 0.065 0.000 1.114 229 L HN 0.244 nan 8.230 nan 0.000 0.488 230 T N -2.961 111.621 114.554 0.046 0.000 3.043 230 T HA -0.042 4.307 4.350 -0.001 0.000 0.263 230 T C 1.665 176.391 174.700 0.043 0.000 1.094 230 T CA 0.450 62.561 62.100 0.019 0.000 1.127 230 T CB -0.001 68.872 68.868 0.007 0.000 0.905 230 T HN 0.182 nan 8.240 nan 0.000 0.490 231 R N -0.168 120.377 120.500 0.075 0.000 2.546 231 R HA 0.397 4.737 4.340 -0.001 0.000 0.320 231 R C -0.429 175.922 176.300 0.086 0.000 1.021 231 R CA -0.652 55.483 56.100 0.059 0.000 1.088 231 R CB -0.107 30.213 30.300 0.034 0.000 1.278 231 R HN 0.346 nan 8.270 nan 0.000 0.557 232 F N 2.090 122.056 119.950 0.027 0.000 2.629 232 F HA -0.014 4.513 4.527 -0.001 0.000 0.377 232 F C 0.195 176.010 175.800 0.024 0.000 1.101 232 F CA 0.572 58.609 58.000 0.061 0.000 1.301 232 F CB 0.329 39.444 39.000 0.191 0.000 1.062 232 F HN -0.091 nan 8.300 nan 0.000 0.583 233 R N 5.446 125.327 120.500 -1.031 0.000 2.564 233 R HA 0.393 4.733 4.340 -0.001 0.000 0.284 233 R C -1.554 174.111 176.300 -1.057 0.000 1.031 233 R CA -1.288 54.333 56.100 -0.799 0.000 0.904 233 R CB 1.698 31.778 30.300 -0.366 0.000 1.199 233 R HN 0.560 nan 8.270 nan 0.000 0.443 234 L N 2.166 122.948 121.223 -0.734 0.000 2.483 234 L HA 0.113 4.453 4.340 -0.001 0.000 0.276 234 L C 0.348 177.048 176.870 -0.284 0.000 1.213 234 L CA 0.743 55.303 54.840 -0.465 0.000 0.843 234 L CB 1.042 42.896 42.059 -0.342 0.000 1.107 234 L HN 0.770 nan 8.230 nan 0.000 0.487 235 S N 2.561 118.165 115.700 -0.160 0.000 2.632 235 S HA 0.161 4.630 4.470 -0.001 0.000 0.267 235 S C 0.746 175.325 174.600 -0.035 0.000 1.276 235 S CA -0.173 57.979 58.200 -0.080 0.000 0.998 235 S CB 1.086 64.274 63.200 -0.019 0.000 0.953 235 S HN 0.656 nan 8.310 nan 0.000 0.547 236 Q N 0.782 120.574 119.800 -0.014 0.000 2.170 236 Q HA -0.131 4.208 4.340 -0.001 0.000 0.203 236 Q C 1.510 177.542 176.000 0.054 0.000 0.976 236 Q CA 2.379 58.189 55.803 0.012 0.000 0.858 236 Q CB -0.703 28.045 28.738 0.016 0.000 0.907 236 Q HN 0.976 nan 8.270 nan 0.000 0.433 237 D N -0.569 119.881 120.400 0.083 0.000 2.117 237 D HA -0.184 4.456 4.640 -0.001 0.000 0.197 237 D C 1.116 177.503 176.300 0.146 0.000 0.987 237 D CA 1.620 55.716 54.000 0.160 0.000 0.829 237 D CB -0.042 40.864 40.800 0.177 0.000 0.961 237 D HN 0.319 nan 8.370 nan 0.000 0.460 238 D N 0.144 120.613 120.400 0.115 0.000 2.078 238 D HA -0.147 4.493 4.640 -0.001 0.000 0.193 238 D C 2.387 178.754 176.300 0.112 0.000 0.990 238 D CA 0.839 54.929 54.000 0.150 0.000 0.827 238 D CB -0.382 40.500 40.800 0.136 0.000 0.975 238 D HN 0.380 nan 8.370 nan 0.000 0.451 239 I N 1.456 122.061 120.570 0.058 0.000 2.145 239 I HA -0.324 3.845 4.170 -0.001 0.000 0.244 239 I C 2.074 178.183 176.117 -0.013 0.000 1.075 239 I CA 1.050 62.379 61.300 0.048 0.000 1.332 239 I CB -0.393 37.616 38.000 0.014 0.000 1.033 239 I HN -0.060 nan 8.210 nan 0.000 0.410 240 N N 1.164 119.832 118.700 -0.053 0.000 2.069 240 N HA -0.139 4.601 4.740 -0.001 0.000 0.191 240 N C 1.892 177.057 175.510 -0.575 0.000 1.031 240 N CA 1.724 54.689 53.050 -0.142 0.000 0.852 240 N CB -0.876 37.637 38.487 0.043 0.000 1.018 240 N HN 0.455 nan 8.380 nan 0.000 0.423 241 G N 0.427 108.673 108.800 -0.924 0.000 2.402 241 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.216 241 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.216 241 G C 1.578 176.137 174.900 -0.569 0.000 1.162 241 G CA 0.389 44.570 45.100 -1.532 0.000 0.777 241 G HN 0.287 nan 8.290 nan 0.000 0.539 242 I N 0.057 120.523 120.570 -0.174 0.000 2.617 242 I HA 0.034 4.204 4.170 -0.001 0.000 0.256 242 I C 2.702 178.861 176.117 0.069 0.000 1.167 242 I CA 0.962 62.290 61.300 0.047 0.000 1.469 242 I CB 0.012 38.197 38.000 0.309 0.000 1.098 242 I HN 0.180 nan 8.210 nan 0.000 0.436 243 Q N -0.526 119.274 119.800 -0.000 0.000 2.187 243 Q HA -0.125 4.215 4.340 -0.001 0.000 0.199 243 Q C 2.310 178.288 176.000 -0.037 0.000 0.957 243 Q CA 1.475 57.293 55.803 0.026 0.000 0.857 243 Q CB -0.126 28.629 28.738 0.028 0.000 0.929 243 Q HN 0.645 nan 8.270 nan 0.000 0.453 244 S N 0.211 115.831 115.700 -0.133 0.000 2.442 244 S HA -0.109 4.361 4.470 -0.001 0.000 0.236 244 S C 1.802 176.338 174.600 -0.105 0.000 1.007 244 S CA 0.768 58.919 58.200 -0.083 0.000 0.965 244 S CB -0.207 62.961 63.200 -0.053 0.000 0.773 244 S HN 0.276 nan 8.310 nan 0.000 0.504 245 L N -1.543 119.562 121.223 -0.197 0.000 2.130 245 L HA 0.180 4.520 4.340 -0.001 0.000 0.200 245 L C 1.818 178.395 176.870 -0.489 0.000 1.075 245 L CA 1.068 55.657 54.840 -0.419 0.000 0.768 245 L CB -0.262 41.372 42.059 -0.709 0.000 0.933 245 L HN 0.314 nan 8.230 nan 0.000 0.451 246 Y N -0.606 119.708 120.300 0.024 0.000 2.453 246 Y HA 0.441 4.991 4.550 -0.000 0.000 0.247 246 Y C 1.207 177.126 175.900 0.032 0.000 1.124 246 Y CA 0.071 58.192 58.100 0.036 0.000 1.243 246 Y CB 0.232 38.721 38.460 0.048 0.000 1.213 246 Y HN 0.187 nan 8.280 nan 0.000 0.523 247 G N 1.170 110.048 108.800 0.131 0.000 2.828 247 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.463 247 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.463 247 G C -2.983 171.983 174.900 0.110 0.000 1.394 247 G CA -0.987 44.170 45.100 0.095 0.000 0.862 247 G HN 0.017 nan 8.290 nan 0.000 0.540 248 P HA 0.460 nan 4.420 nan 0.000 0.282 248 P C -2.629 174.712 177.300 0.068 0.000 1.287 248 P CA -1.605 61.538 63.100 0.073 0.000 0.792 248 P CB 0.022 31.754 31.700 0.052 0.000 1.163 249 P HA 0.205 nan 4.420 nan 0.000 0.276 249 P C -2.016 175.307 177.300 0.039 0.000 1.230 249 P CA -1.419 61.710 63.100 0.048 0.000 0.776 249 P CB -0.744 30.983 31.700 0.045 0.000 0.888 250 P HA -0.136 nan 4.420 nan 0.000 0.225 250 P C 0.030 177.344 177.300 0.023 0.000 1.148 250 P CA 1.366 64.483 63.100 0.028 0.000 0.779 250 P CB -0.102 31.612 31.700 0.024 0.000 0.780 251 D N -2.024 118.390 120.400 0.023 0.000 2.349 251 D HA 0.015 4.655 4.640 -0.001 0.000 0.215 251 D C 0.184 176.496 176.300 0.020 0.000 1.016 251 D CA 0.377 54.389 54.000 0.020 0.000 0.870 251 D CB -0.099 40.713 40.800 0.020 0.000 0.917 251 D HN 0.077 nan 8.370 nan 0.000 0.524 252 S N 1.290 117.004 115.700 0.023 0.000 2.549 252 S HA 0.523 4.992 4.470 -0.001 0.000 0.297 252 S C -2.209 172.403 174.600 0.020 0.000 1.115 252 S CA -1.339 56.873 58.200 0.021 0.000 1.059 252 S CB 1.420 64.635 63.200 0.024 0.000 1.046 252 S HN 0.041 nan 8.310 nan 0.000 0.506 253 P HA 0.430 nan 4.420 nan 0.000 0.276 253 P C -0.937 176.372 177.300 0.016 0.000 1.244 253 P CA -0.378 62.731 63.100 0.015 0.000 0.801 253 P CB 0.591 32.298 31.700 0.012 0.000 1.006 254 E N 0.590 120.800 120.200 0.017 0.000 2.166 254 E HA 0.331 4.680 4.350 -0.001 0.000 0.275 254 E C -0.094 176.514 176.600 0.014 0.000 0.941 254 E CA -0.532 55.879 56.400 0.018 0.000 0.784 254 E CB 0.831 30.543 29.700 0.020 0.000 1.115 254 E HN 0.523 nan 8.360 nan 0.000 0.399 255 T N 0.000 114.562 114.554 0.013 0.000 3.816 255 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 255 T CA 0.000 62.106 62.100 0.011 0.000 1.349 255 T CB 0.000 68.873 68.868 0.008 0.000 0.612 255 T HN 0.000 nan 8.240 nan 0.000 0.658