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 1pqf_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIRTMLQGKL HRVKVTHADL HYESSCAIDQ DFLDAAGILE NEAIDIWNVT DATA SEQUENCE NGKRFSTYAI AAERGSRIIS VNGAAAHXAS VGDIVIIASF VTMPDEEART DATA SEQUENCE WRPNVAYFEG DNEMKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 I N 5.085 125.648 120.570 -0.012 0.000 2.354 2 I HA 0.542 4.712 4.170 0.001 0.000 0.292 2 I C 0.100 176.206 176.117 -0.019 0.000 0.989 2 I CA -0.423 60.865 61.300 -0.020 0.000 1.188 2 I CB 1.331 39.317 38.000 -0.025 0.000 1.342 2 I HN 0.722 nan 8.210 nan 0.000 0.457 3 R N 3.703 124.189 120.500 -0.023 0.000 2.486 3 R HA 0.507 4.847 4.340 0.001 0.000 0.286 3 R C -0.429 175.858 176.300 -0.022 0.000 0.999 3 R CA -0.573 55.518 56.100 -0.014 0.000 0.993 3 R CB 1.347 31.645 30.300 -0.002 0.000 1.084 3 R HN 0.468 nan 8.270 nan 0.000 0.487 4 T N 3.876 118.432 114.554 0.003 0.000 2.743 4 T HA 0.433 4.784 4.350 0.001 0.000 0.292 4 T C 0.110 174.881 174.700 0.118 0.000 0.972 4 T CA -0.489 61.630 62.100 0.032 0.000 0.967 4 T CB 0.600 69.467 68.868 -0.002 0.000 0.926 4 T HN 0.150 nan 8.240 nan 0.000 0.459 5 M N 2.960 122.636 119.600 0.126 0.000 2.535 5 M HA 0.428 4.908 4.480 0.001 0.000 0.314 5 M C -0.386 176.034 176.300 0.200 0.000 1.153 5 M CA -1.498 53.896 55.300 0.155 0.000 0.924 5 M CB 1.597 34.159 32.600 -0.064 0.000 1.710 5 M HN 0.424 nan 8.290 nan 0.000 0.451 6 L N 3.378 124.676 121.223 0.126 0.000 2.615 6 L HA -0.043 4.297 4.340 0.001 0.000 0.271 6 L C 1.431 178.314 176.870 0.023 0.000 1.183 6 L CA 0.897 55.537 54.840 -0.333 0.000 0.933 6 L CB 0.183 42.115 42.059 -0.212 0.000 1.199 6 L HN 0.755 nan 8.230 nan 0.000 0.487 7 Q N 3.995 123.740 119.800 -0.092 0.000 2.096 7 Q HA 0.180 4.520 4.340 0.001 0.000 0.197 7 Q C 0.416 176.508 176.000 0.153 0.000 0.964 7 Q CA 1.130 57.046 55.803 0.188 0.000 0.838 7 Q CB 0.395 29.166 28.738 0.056 0.000 0.906 7 Q HN 0.865 nan 8.270 nan 0.000 0.444 8 G N 0.100 108.868 108.800 -0.054 0.000 2.489 8 G HA2 0.468 4.429 3.960 0.001 0.000 0.291 8 G HA3 0.468 4.429 3.960 0.001 0.000 0.291 8 G C -1.879 172.935 174.900 -0.144 0.000 1.487 8 G CA -0.433 44.628 45.100 -0.065 0.000 0.795 8 G HN 0.162 nan 8.290 nan 0.000 0.513 9 K N -0.512 119.800 120.400 -0.148 0.000 2.575 9 K HA 0.664 4.984 4.320 0.001 0.000 0.279 9 K C -1.466 175.039 176.600 -0.159 0.000 0.969 9 K CA -1.113 55.062 56.287 -0.187 0.000 0.868 9 K CB 1.760 34.073 32.500 -0.311 0.000 1.457 9 K HN 0.409 nan 8.250 nan 0.000 0.426 10 L N 3.524 124.687 121.223 -0.101 0.000 2.257 10 L HA 0.346 4.686 4.340 0.001 0.000 0.290 10 L C 0.518 177.331 176.870 -0.095 0.000 1.044 10 L CA -0.991 53.859 54.840 0.017 0.000 0.810 10 L CB 0.488 42.571 42.059 0.039 0.000 1.193 10 L HN 0.564 nan 8.230 nan 0.000 0.425 11 H N 2.951 121.991 119.070 -0.050 0.000 2.767 11 H HA 0.099 4.655 4.556 0.001 0.000 0.380 11 H C 0.219 175.564 175.328 0.029 0.000 1.409 11 H CA -0.197 55.815 56.048 -0.060 0.000 1.463 11 H CB 0.528 30.191 29.762 -0.165 0.000 1.514 11 H HN 0.417 nan 8.280 nan 0.000 0.619 12 R N 1.011 121.601 120.500 0.150 0.000 4.368 12 R HA -0.081 4.259 4.340 0.001 0.000 0.192 12 R C -0.298 175.994 176.300 -0.014 0.000 0.393 12 R CA 0.027 56.166 56.100 0.064 0.000 0.925 12 R CB -0.832 29.523 30.300 0.092 0.000 0.967 12 R HN 0.254 nan 8.270 nan 0.000 0.277 13 V N -1.188 118.626 119.914 -0.167 0.000 2.919 13 V HA 0.777 4.898 4.120 0.001 0.000 0.316 13 V C 0.261 176.258 176.094 -0.161 0.000 1.077 13 V CA -1.236 60.856 62.300 -0.346 0.000 0.977 13 V CB 1.683 33.125 31.823 -0.635 0.000 1.039 13 V HN 0.539 nan 8.190 nan 0.000 0.441 14 K N 1.202 121.522 120.400 -0.134 0.000 2.156 14 K HA 0.715 5.035 4.320 0.001 0.000 0.271 14 K C -0.464 176.110 176.600 -0.044 0.000 0.995 14 K CA -0.509 55.743 56.287 -0.059 0.000 0.890 14 K CB 1.314 33.792 32.500 -0.037 0.000 1.073 14 K HN 0.935 nan 8.250 nan 0.000 0.454 15 V N 3.700 123.601 119.914 -0.021 0.000 2.425 15 V HA 0.025 4.145 4.120 0.001 0.000 0.276 15 V C 1.776 177.842 176.094 -0.046 0.000 1.017 15 V CA 0.820 63.114 62.300 -0.010 0.000 1.062 15 V CB 0.145 31.978 31.823 0.015 0.000 0.997 15 V HN 1.082 nan 8.190 nan 0.000 0.476 16 T N 1.378 115.897 114.554 -0.059 0.000 3.044 16 T HA 0.120 4.471 4.350 0.001 0.000 0.255 16 T C 0.492 174.910 174.700 -0.470 0.000 1.073 16 T CA 0.434 62.414 62.100 -0.200 0.000 1.125 16 T CB 0.020 68.805 68.868 -0.138 0.000 0.908 16 T HN 0.684 nan 8.240 nan 0.000 0.480 17 H N -0.030 119.023 119.070 -0.027 0.000 2.895 17 H HA 0.725 5.281 4.556 0.001 0.000 0.373 17 H C -0.996 174.314 175.328 -0.030 0.000 1.174 17 H CA -0.583 55.442 56.048 -0.039 0.000 1.144 17 H CB 2.047 31.766 29.762 -0.072 0.000 1.793 17 H HN 0.283 nan 8.280 nan 0.000 0.551 18 A N 2.072 124.949 122.820 0.096 0.000 2.943 18 A HA 0.260 4.580 4.320 0.001 0.000 0.327 18 A C -1.138 176.471 177.584 0.042 0.000 1.141 18 A CA -0.560 51.507 52.037 0.051 0.000 0.773 18 A CB 0.007 19.021 19.000 0.024 0.000 1.143 18 A HN 0.645 nan 8.150 nan 0.000 0.463 19 D N 2.351 122.772 120.400 0.036 0.000 2.396 19 D HA 0.387 5.027 4.640 0.001 0.000 0.225 19 D C 1.001 177.333 176.300 0.053 0.000 1.121 19 D CA -0.306 53.712 54.000 0.030 0.000 0.853 19 D CB 0.591 41.373 40.800 -0.030 0.000 1.043 19 D HN 0.389 nan 8.370 nan 0.000 0.500 20 L N 3.004 124.250 121.223 0.040 0.000 2.191 20 L HA -0.143 4.197 4.340 0.001 0.000 0.212 20 L C 2.718 179.620 176.870 0.053 0.000 1.103 20 L CA 1.704 56.564 54.840 0.033 0.000 0.769 20 L CB -0.827 41.242 42.059 0.015 0.000 0.908 20 L HN 0.678 nan 8.230 nan 0.000 0.438 21 H N -1.577 117.539 119.070 0.076 0.000 2.423 21 H HA -0.094 4.462 4.556 0.001 0.000 0.297 21 H C 0.940 176.340 175.328 0.121 0.000 1.075 21 H CA 0.983 57.084 56.048 0.087 0.000 1.342 21 H CB -0.568 nan 29.762 nan 0.000 1.395 21 H HN 0.212 nan 8.280 nan 0.000 0.530 22 Y N 1.350 121.641 120.300 -0.015 0.000 2.295 22 Y HA 0.271 4.821 4.550 0.001 0.000 0.331 22 Y C 0.973 176.865 175.900 -0.012 0.000 1.311 22 Y CA -0.566 57.525 58.100 -0.015 0.000 1.430 22 Y CB 0.742 39.187 38.460 -0.025 0.000 1.339 22 Y HN 0.703 nan 8.280 nan 0.000 0.552 23 E N -0.102 120.064 120.200 -0.057 0.000 2.422 23 E HA 0.119 4.469 4.350 0.001 0.000 0.260 23 E C -0.844 175.779 176.600 0.037 0.000 1.108 23 E CA -0.266 56.124 56.400 -0.017 0.000 0.943 23 E CB 0.401 30.079 29.700 -0.036 0.000 0.961 23 E HN 0.410 nan 8.360 nan 0.000 0.443 24 S N 1.980 117.691 115.700 0.019 0.000 3.072 24 S HA 0.211 4.682 4.470 0.001 0.000 0.306 24 S C -0.689 173.822 174.600 -0.147 0.000 1.207 24 S CA -0.101 58.089 58.200 -0.016 0.000 1.008 24 S CB -0.623 62.584 63.200 0.013 0.000 1.390 24 S HN 0.570 nan 8.310 nan 0.000 0.523 25 S N 0.735 116.317 115.700 -0.196 0.000 2.672 25 S HA 0.588 5.058 4.470 0.001 0.000 0.271 25 S C -1.014 173.490 174.600 -0.160 0.000 1.171 25 S CA -0.967 56.969 58.200 -0.440 0.000 0.817 25 S CB 1.176 63.948 63.200 -0.713 0.000 1.150 25 S HN 0.522 nan 8.310 nan 0.000 0.478 26 C N 1.895 121.111 119.300 -0.140 0.000 2.319 26 C HA 0.860 5.320 4.460 0.001 0.000 0.323 26 C C 0.451 175.431 174.990 -0.017 0.000 1.277 26 C CA 0.164 59.169 59.018 -0.023 0.000 1.517 26 C CB -0.596 27.156 27.740 0.019 0.000 2.206 26 C HN 1.138 nan 8.230 nan 0.000 0.486 27 A N 6.699 129.518 122.820 -0.002 0.000 2.301 27 A HA 0.819 5.139 4.320 0.001 0.000 0.298 27 A C -0.656 176.928 177.584 0.001 0.000 1.185 27 A CA -0.334 51.701 52.037 -0.003 0.000 0.830 27 A CB 0.283 19.265 19.000 -0.030 0.000 1.112 27 A HN 0.893 nan 8.150 nan 0.000 0.508 28 I N 1.904 122.476 120.570 0.003 0.000 2.499 28 I HA 0.177 4.347 4.170 0.001 0.000 0.288 28 I C -0.509 175.561 176.117 -0.079 0.000 1.048 28 I CA -0.824 60.482 61.300 0.009 0.000 1.062 28 I CB 1.967 40.017 38.000 0.083 0.000 1.238 28 I HN 0.673 nan 8.210 nan 0.000 0.426 29 D N 4.735 124.978 120.400 -0.261 0.000 2.772 29 D HA -0.175 4.466 4.640 0.001 0.000 0.227 29 D C 1.002 177.147 176.300 -0.259 0.000 1.114 29 D CA 0.745 54.482 54.000 -0.439 0.000 0.832 29 D CB 1.054 41.169 40.800 -1.142 0.000 1.154 29 D HN 0.560 nan 8.370 nan 0.000 0.514 30 Q N 3.002 122.720 119.800 -0.136 0.000 2.181 30 Q HA -0.181 4.159 4.340 0.001 0.000 0.205 30 Q C 0.994 177.000 176.000 0.010 0.000 0.980 30 Q CA 1.778 57.560 55.803 -0.035 0.000 0.862 30 Q CB 0.017 28.744 28.738 -0.020 0.000 0.905 30 Q HN 0.510 nan 8.270 nan 0.000 0.429 31 D N -0.870 119.515 120.400 -0.024 0.000 2.149 31 D HA -0.153 4.487 4.640 0.001 0.000 0.198 31 D C 1.360 177.837 176.300 0.296 0.000 0.990 31 D CA 0.957 55.017 54.000 0.100 0.000 0.839 31 D CB -0.162 40.700 40.800 0.102 0.000 0.948 31 D HN 0.292 nan 8.370 nan 0.000 0.460 32 F N 0.670 120.686 119.950 0.109 0.000 2.163 32 F HA 0.022 4.550 4.527 0.001 0.000 0.297 32 F C 2.467 178.329 175.800 0.104 0.000 1.094 32 F CA 0.153 58.247 58.000 0.158 0.000 1.290 32 F CB -1.256 37.864 39.000 0.199 0.000 1.017 32 F HN -0.041 nan 8.300 nan 0.000 0.483 33 L N -0.221 121.156 121.223 0.257 0.000 2.042 33 L HA -0.245 4.095 4.340 0.001 0.000 0.210 33 L C 2.190 179.134 176.870 0.123 0.000 1.076 33 L CA 1.451 56.383 54.840 0.153 0.000 0.749 33 L CB -0.713 41.407 42.059 0.101 0.000 0.893 33 L HN 0.034 nan 8.230 nan 0.000 0.432 34 D N 0.160 120.630 120.400 0.118 0.000 2.117 34 D HA -0.161 4.480 4.640 0.001 0.000 0.197 34 D C 2.219 178.569 176.300 0.083 0.000 0.987 34 D CA 1.573 55.625 54.000 0.088 0.000 0.829 34 D CB -0.058 40.789 40.800 0.079 0.000 0.961 34 D HN 0.318 nan 8.370 nan 0.000 0.460 35 A N 0.515 123.399 122.820 0.106 0.000 1.969 35 A HA 0.069 4.389 4.320 0.001 0.000 0.218 35 A C 2.128 179.739 177.584 0.045 0.000 1.169 35 A CA 1.843 53.919 52.037 0.066 0.000 0.635 35 A CB -0.331 18.703 19.000 0.058 0.000 0.810 35 A HN 0.228 nan 8.150 nan 0.000 0.445 36 A N -2.050 120.812 122.820 0.069 0.000 2.238 36 A HA 0.434 4.754 4.320 0.001 0.000 0.210 36 A C 1.763 179.375 177.584 0.047 0.000 1.179 36 A CA 1.115 53.176 52.037 0.041 0.000 0.827 36 A CB -0.742 18.288 19.000 0.050 0.000 0.856 36 A HN 1.814 nan 8.150 nan 0.000 0.488 37 G N -0.454 108.383 108.800 0.063 0.000 2.153 37 G HA2 -0.248 3.712 3.960 0.001 0.000 0.252 37 G HA3 -0.248 3.712 3.960 0.001 0.000 0.252 37 G C 0.130 175.073 174.900 0.072 0.000 0.994 37 G CA 0.483 45.626 45.100 0.072 0.000 0.698 37 G HN 0.492 nan 8.290 nan 0.000 0.521 38 I N 0.812 121.424 120.570 0.070 0.000 2.474 38 I HA 0.389 4.559 4.170 0.001 0.000 0.287 38 I C 0.989 177.149 176.117 0.072 0.000 1.048 38 I CA -0.586 60.755 61.300 0.068 0.000 1.383 38 I CB 0.908 38.948 38.000 0.067 0.000 1.412 38 I HN -0.021 nan 8.210 nan 0.000 0.531 39 L N 4.986 126.251 121.223 0.070 0.000 2.344 39 L HA 0.395 4.735 4.340 0.001 0.000 0.272 39 L C 0.327 177.246 176.870 0.082 0.000 1.035 39 L CA -0.788 54.092 54.840 0.068 0.000 0.807 39 L CB 1.152 43.245 42.059 0.057 0.000 1.237 39 L HN 0.559 nan 8.230 nan 0.000 0.442 40 E N 2.014 122.261 120.200 0.079 0.000 2.452 40 E HA -0.076 4.274 4.350 0.001 0.000 0.261 40 E C 0.059 176.721 176.600 0.104 0.000 0.987 40 E CA 0.267 56.727 56.400 0.099 0.000 0.926 40 E CB 0.215 29.964 29.700 0.081 0.000 0.934 40 E HN 0.647 nan 8.360 nan 0.000 0.452 41 N N 1.602 120.403 118.700 0.168 0.000 2.965 41 N HA -0.232 4.509 4.740 0.001 0.000 0.232 41 N C -0.717 174.847 175.510 0.091 0.000 0.913 41 N CA 1.264 54.382 53.050 0.114 0.000 0.981 41 N CB -1.093 37.393 38.487 -0.002 0.000 1.077 41 N HN 0.737 nan 8.380 nan 0.000 0.589 42 E N 0.793 121.067 120.200 0.124 0.000 2.331 42 E HA 0.498 4.848 4.350 0.001 0.000 0.272 42 E C 0.221 176.909 176.600 0.147 0.000 1.036 42 E CA -0.174 56.288 56.400 0.103 0.000 0.864 42 E CB 0.720 30.471 29.700 0.085 0.000 1.035 42 E HN 0.278 nan 8.360 nan 0.000 0.408 43 A N 5.035 127.927 122.820 0.120 0.000 2.511 43 A HA 0.339 4.660 4.320 0.001 0.000 0.242 43 A C 0.107 177.765 177.584 0.123 0.000 1.069 43 A CA 0.002 52.120 52.037 0.135 0.000 0.763 43 A CB -0.300 18.759 19.000 0.100 0.000 1.001 43 A HN 0.609 nan 8.150 nan 0.000 0.498 44 I N -0.995 119.640 120.570 0.109 0.000 2.730 44 I HA 0.604 4.774 4.170 0.001 0.000 0.298 44 I C -1.429 174.703 176.117 0.026 0.000 1.089 44 I CA -1.087 60.257 61.300 0.073 0.000 1.041 44 I CB 2.458 40.481 38.000 0.039 0.000 1.235 44 I HN 0.298 nan 8.210 nan 0.000 0.423 45 D N 5.502 125.924 120.400 0.037 0.000 2.193 45 D HA 0.616 5.256 4.640 0.001 0.000 0.244 45 D C -0.511 175.707 176.300 -0.137 0.000 1.064 45 D CA 0.062 54.037 54.000 -0.042 0.000 0.845 45 D CB 2.583 43.436 40.800 0.088 0.000 1.148 45 D HN 0.452 nan 8.370 nan 0.000 0.464 46 I N 1.370 121.703 120.570 -0.394 0.000 2.433 46 I HA 0.338 4.509 4.170 0.001 0.000 0.292 46 I C -0.753 175.171 176.117 -0.321 0.000 1.001 46 I CA -0.900 60.139 61.300 -0.435 0.000 1.119 46 I CB 2.006 39.505 38.000 -0.836 0.000 1.289 46 I HN 0.175 nan 8.210 nan 0.000 0.438 47 W N 6.527 127.709 121.300 -0.195 0.000 2.318 47 W HA 0.318 4.978 4.660 0.001 0.000 0.315 47 W C 0.155 176.652 176.519 -0.038 0.000 1.033 47 W CA -0.583 56.711 57.345 -0.086 0.000 1.275 47 W CB 1.177 30.607 29.460 -0.049 0.000 1.250 47 W HN 0.390 nan 8.180 nan 0.000 0.421 48 N N 4.070 122.994 118.700 0.372 0.000 2.439 48 N HA 0.035 4.775 4.740 0.001 0.000 0.243 48 N C 0.622 176.333 175.510 0.335 0.000 1.088 48 N CA 0.073 53.297 53.050 0.289 0.000 0.940 48 N CB 1.317 39.951 38.487 0.245 0.000 1.180 48 N HN 0.332 nan 8.380 nan 0.000 0.505 49 V N 2.914 122.963 119.914 0.225 0.000 2.490 49 V HA -0.186 3.934 4.120 0.001 0.000 0.250 49 V C 2.019 178.180 176.094 0.110 0.000 1.061 49 V CA 1.815 64.190 62.300 0.126 0.000 1.064 49 V CB -0.803 31.028 31.823 0.014 0.000 0.670 49 V HN 0.612 nan 8.190 nan 0.000 0.461 50 T N 1.716 116.331 114.554 0.102 0.000 2.777 50 T HA -0.112 4.238 4.350 0.001 0.000 0.266 50 T C 1.531 176.283 174.700 0.087 0.000 1.040 50 T CA 1.775 63.921 62.100 0.076 0.000 1.141 50 T CB -0.315 68.589 68.868 0.060 0.000 0.868 50 T HN 0.743 nan 8.240 nan 0.000 0.444 51 N N -0.073 118.694 118.700 0.113 0.000 2.171 51 N HA 0.254 4.994 4.740 0.001 0.000 0.212 51 N C 1.268 176.855 175.510 0.130 0.000 1.184 51 N CA 0.729 53.839 53.050 0.100 0.000 0.888 51 N CB 0.148 38.681 38.487 0.075 0.000 1.038 51 N HN 0.415 nan 8.380 nan 0.000 0.517 52 G N 0.463 109.388 108.800 0.208 0.000 2.234 52 G HA2 -0.348 3.613 3.960 0.001 0.000 0.260 52 G HA3 -0.348 3.613 3.960 0.001 0.000 0.260 52 G C -0.168 174.827 174.900 0.159 0.000 0.987 52 G CA 0.432 45.701 45.100 0.282 0.000 0.625 52 G HN 0.478 nan 8.290 nan 0.000 0.532 53 K N 0.914 121.377 120.400 0.105 0.000 2.401 53 K HA 0.434 4.754 4.320 0.001 0.000 0.278 53 K C 0.542 177.106 176.600 -0.060 0.000 1.018 53 K CA 0.242 56.548 56.287 0.031 0.000 0.981 53 K CB 0.387 32.942 32.500 0.091 0.000 0.933 53 K HN 0.416 nan 8.250 nan 0.000 0.477 54 R N 2.805 123.171 120.500 -0.224 0.000 2.599 54 R HA 0.517 4.857 4.340 0.001 0.000 0.295 54 R C -0.747 175.527 176.300 -0.044 0.000 0.963 54 R CA -0.782 55.090 56.100 -0.381 0.000 0.883 54 R CB 0.949 30.724 30.300 -0.876 0.000 1.171 54 R HN 0.538 nan 8.270 nan 0.000 0.450 55 F N -2.023 117.816 119.950 -0.184 0.000 2.711 55 F HA 0.692 5.220 4.527 0.001 0.000 0.313 55 F C -1.183 174.579 175.800 -0.062 0.000 1.141 55 F CA -1.083 56.853 58.000 -0.108 0.000 0.941 55 F CB 1.576 40.532 39.000 -0.073 0.000 1.349 55 F HN 0.257 nan 8.300 nan 0.000 0.464 56 S N 0.423 116.190 115.700 0.113 0.000 2.532 56 S HA 0.812 5.283 4.470 0.001 0.000 0.301 56 S C -0.572 174.138 174.600 0.184 0.000 1.083 56 S CA -0.267 57.960 58.200 0.046 0.000 1.025 56 S CB 1.971 65.199 63.200 0.047 0.000 1.056 56 S HN 1.029 nan 8.310 nan 0.000 0.494 57 T N 0.749 115.380 114.554 0.129 0.000 2.626 57 T HA 0.641 4.991 4.350 0.001 0.000 0.285 57 T C -2.166 172.647 174.700 0.189 0.000 1.194 57 T CA -0.507 61.692 62.100 0.165 0.000 1.112 57 T CB 0.085 69.046 68.868 0.156 0.000 1.714 57 T HN 0.632 nan 8.240 nan 0.000 0.457 58 Y N -0.109 120.239 120.300 0.080 0.000 2.581 58 Y HA 0.900 5.450 4.550 0.001 0.000 0.345 58 Y C -0.435 175.505 175.900 0.066 0.000 1.036 58 Y CA -1.441 56.696 58.100 0.061 0.000 1.042 58 Y CB 1.013 39.503 38.460 0.050 0.000 1.289 58 Y HN 0.730 nan 8.280 nan 0.000 0.471 59 A N 3.386 126.306 122.820 0.166 0.000 2.327 59 A HA 0.725 5.046 4.320 0.001 0.000 0.283 59 A C -0.340 177.330 177.584 0.143 0.000 1.127 59 A CA -0.464 51.627 52.037 0.091 0.000 0.810 59 A CB -0.180 18.878 19.000 0.098 0.000 1.066 59 A HN 0.992 nan 8.150 nan 0.000 0.492 60 I N -1.291 119.324 120.570 0.075 0.000 2.934 60 I HA 0.833 5.004 4.170 0.001 0.000 0.306 60 I C 0.087 176.241 176.117 0.062 0.000 1.110 60 I CA -1.241 60.120 61.300 0.101 0.000 1.019 60 I CB 2.164 40.236 38.000 0.119 0.000 1.227 60 I HN 0.640 nan 8.210 nan 0.000 0.434 61 A N 2.970 125.824 122.820 0.058 0.000 2.401 61 A HA 0.782 5.103 4.320 0.001 0.000 0.259 61 A C 0.160 177.747 177.584 0.006 0.000 1.103 61 A CA 0.016 52.069 52.037 0.027 0.000 0.789 61 A CB 0.291 19.307 19.000 0.027 0.000 1.035 61 A HN 1.126 nan 8.150 nan 0.000 0.491 62 A N 1.502 124.303 122.820 -0.032 0.000 2.299 62 A HA 0.611 4.931 4.320 0.001 0.000 0.332 62 A C 0.262 177.800 177.584 -0.076 0.000 1.131 62 A CA -0.590 51.411 52.037 -0.061 0.000 0.844 62 A CB 0.287 19.233 19.000 -0.089 0.000 1.251 62 A HN 0.930 nan 8.150 nan 0.000 0.486 63 E N 0.866 121.022 120.200 -0.073 0.000 2.652 63 E HA -0.043 4.307 4.350 0.001 0.000 0.255 63 E C 0.309 176.855 176.600 -0.089 0.000 0.952 63 E CA 0.035 56.396 56.400 -0.064 0.000 0.947 63 E CB 0.306 29.972 29.700 -0.056 0.000 0.912 63 E HN 0.509 nan 8.360 nan 0.000 0.489 64 R N 3.034 123.493 120.500 -0.068 0.000 2.538 64 R HA -0.005 4.335 4.340 0.001 0.000 0.282 64 R C 0.923 177.180 176.300 -0.071 0.000 1.009 64 R CA 1.301 57.357 56.100 -0.074 0.000 1.063 64 R CB 0.013 30.293 30.300 -0.035 0.000 0.945 64 R HN 0.873 nan 8.270 nan 0.000 0.414 65 G N 1.985 110.729 108.800 -0.094 0.000 2.205 65 G HA2 -0.369 3.592 3.960 0.001 0.000 0.261 65 G HA3 -0.369 3.592 3.960 0.001 0.000 0.261 65 G C 0.726 175.587 174.900 -0.065 0.000 0.980 65 G CA 0.692 45.760 45.100 -0.053 0.000 0.632 65 G HN 0.741 nan 8.290 nan 0.000 0.533 66 S N 0.053 115.685 115.700 -0.114 0.000 2.461 66 S HA 0.128 4.598 4.470 0.001 0.000 0.228 66 S C 1.483 176.041 174.600 -0.070 0.000 1.005 66 S CA 1.130 59.283 58.200 -0.078 0.000 0.942 66 S CB -0.222 62.929 63.200 -0.082 0.000 0.776 66 S HN 1.032 nan 8.310 nan 0.000 0.514 67 R N -0.115 120.275 120.500 -0.183 0.000 3.758 67 R HA -0.118 4.223 4.340 0.001 0.000 0.299 67 R C -0.798 175.500 176.300 -0.004 0.000 1.182 67 R CA 0.861 56.908 56.100 -0.087 0.000 0.809 67 R CB -2.534 27.884 30.300 0.197 0.000 1.249 67 R HN 0.516 nan 8.270 nan 0.000 0.497 68 I N 1.830 122.341 120.570 -0.099 0.000 2.529 68 I HA 0.140 4.311 4.170 0.001 0.000 0.284 68 I C 0.800 176.932 176.117 0.025 0.000 1.082 68 I CA -0.050 61.254 61.300 0.006 0.000 1.406 68 I CB 0.731 38.729 38.000 -0.002 0.000 1.405 68 I HN -0.011 nan 8.210 nan 0.000 0.548 69 I N 5.408 126.020 120.570 0.070 0.000 2.439 69 I HA 0.246 4.417 4.170 0.001 0.000 0.285 69 I C -0.268 175.890 176.117 0.067 0.000 1.021 69 I CA -0.154 61.183 61.300 0.061 0.000 1.091 69 I CB 1.451 39.476 38.000 0.041 0.000 1.242 69 I HN 0.410 nan 8.210 nan 0.000 0.439 70 S N 5.648 121.380 115.700 0.054 0.000 2.659 70 S HA 0.612 5.082 4.470 0.001 0.000 0.312 70 S C -0.738 173.889 174.600 0.045 0.000 1.114 70 S CA -0.380 57.855 58.200 0.057 0.000 1.063 70 S CB 1.248 64.439 63.200 -0.013 0.000 0.996 70 S HN 0.286 nan 8.310 nan 0.000 0.478 71 V N 6.661 126.612 119.914 0.061 0.000 2.294 71 V HA 0.417 4.538 4.120 0.001 0.000 0.272 71 V C -0.048 176.070 176.094 0.041 0.000 1.027 71 V CA -0.624 61.723 62.300 0.078 0.000 0.823 71 V CB 0.481 32.381 31.823 0.129 0.000 1.030 71 V HN 0.856 nan 8.190 nan 0.000 0.457 72 N N 2.650 121.370 118.700 0.032 0.000 2.471 72 N HA 0.803 5.543 4.740 0.001 0.000 0.288 72 N C 0.749 176.274 175.510 0.025 0.000 1.220 72 N CA -0.060 53.014 53.050 0.041 0.000 0.893 72 N CB 1.876 40.418 38.487 0.092 0.000 1.256 72 N HN 0.781 nan 8.380 nan 0.000 0.534 73 G N 0.394 109.222 108.800 0.047 0.000 2.574 73 G HA2 -0.376 3.585 3.960 0.001 0.000 0.286 73 G HA3 -0.376 3.585 3.960 0.001 0.000 0.286 73 G C 0.863 175.750 174.900 -0.021 0.000 1.212 73 G CA 0.390 45.503 45.100 0.021 0.000 0.979 73 G HN 0.751 nan 8.290 nan 0.000 0.557 74 A N -0.398 122.400 122.820 -0.037 0.000 2.019 74 A HA 0.314 4.634 4.320 0.001 0.000 0.219 74 A C 2.933 180.430 177.584 -0.146 0.000 1.164 74 A CA 3.211 55.205 52.037 -0.072 0.000 0.644 74 A CB -0.892 18.074 19.000 -0.057 0.000 0.805 74 A HN 2.277 nan 8.150 nan 0.000 0.449 75 A N -0.256 122.466 122.820 -0.162 0.000 2.015 75 A HA 0.239 4.560 4.320 0.001 0.000 0.219 75 A C 2.309 179.736 177.584 -0.263 0.000 1.163 75 A CA 1.547 53.392 52.037 -0.319 0.000 0.646 75 A CB -0.731 18.179 19.000 -0.151 0.000 0.806 75 A HN 1.040 nan 8.150 nan 0.000 0.448 76 A N -0.902 121.846 122.820 -0.121 0.000 2.178 76 A HA 0.213 4.533 4.320 0.001 0.000 0.218 76 A C 1.341 178.874 177.584 -0.086 0.000 1.157 76 A CA 1.395 53.390 52.037 -0.070 0.000 0.689 76 A CB -1.438 17.548 19.000 -0.024 0.000 0.787 76 A HN 0.950 nan 8.150 nan 0.000 0.465 80 S N -0.088 115.625 115.700 0.022 0.000 2.718 80 S HA 0.687 5.157 4.470 0.001 0.000 0.300 80 S C 0.221 174.823 174.600 0.003 0.000 1.117 80 S CA -0.712 57.493 58.200 0.008 0.000 1.002 80 S CB 1.597 64.800 63.200 0.004 0.000 1.092 80 S HN 1.041 nan 8.310 nan 0.000 0.542 81 V N 1.795 121.700 119.914 -0.014 0.000 2.599 81 V HA 0.395 4.516 4.120 0.001 0.000 0.300 81 V C 1.463 177.540 176.094 -0.029 0.000 1.034 81 V CA 1.697 63.973 62.300 -0.040 0.000 1.115 81 V CB -0.066 31.714 31.823 -0.072 0.000 0.934 81 V HN 1.299 nan 8.190 nan 0.000 0.485 82 G N 3.840 112.622 108.800 -0.030 0.000 2.258 82 G HA2 -0.193 3.768 3.960 0.001 0.000 0.233 82 G HA3 -0.193 3.768 3.960 0.001 0.000 0.233 82 G C -0.005 174.895 174.900 -0.001 0.000 1.006 82 G CA 0.018 45.108 45.100 -0.017 0.000 0.620 82 G HN 0.671 nan 8.290 nan 0.000 0.511 83 D N 1.208 121.614 120.400 0.010 0.000 2.423 83 D HA 0.374 5.014 4.640 0.001 0.000 0.238 83 D C 0.934 177.249 176.300 0.025 0.000 1.142 83 D CA 0.146 54.163 54.000 0.029 0.000 0.884 83 D CB 0.621 41.452 40.800 0.050 0.000 1.199 83 D HN 0.168 nan 8.370 nan 0.000 0.438 84 I N 2.298 122.888 120.570 0.032 0.000 2.315 84 I HA 0.171 4.342 4.170 0.001 0.000 0.291 84 I C 0.443 176.587 176.117 0.044 0.000 1.006 84 I CA -0.649 60.664 61.300 0.022 0.000 1.265 84 I CB 0.625 38.637 38.000 0.020 0.000 1.387 84 I HN 0.078 nan 8.210 nan 0.000 0.475 85 V N 5.490 125.419 119.914 0.025 0.000 2.960 85 V HA 0.702 4.823 4.120 0.001 0.000 0.315 85 V C -0.453 175.644 176.094 0.005 0.000 1.087 85 V CA -0.829 61.498 62.300 0.045 0.000 0.982 85 V CB 2.667 34.518 31.823 0.046 0.000 1.039 85 V HN 0.470 nan 8.190 nan 0.000 0.437 86 I N 2.896 123.484 120.570 0.031 0.000 2.433 86 I HA 0.576 4.746 4.170 0.001 0.000 0.292 86 I C -0.793 175.316 176.117 -0.013 0.000 1.001 86 I CA -0.499 60.791 61.300 -0.016 0.000 1.119 86 I CB 2.005 39.990 38.000 -0.025 0.000 1.289 86 I HN 0.518 nan 8.210 nan 0.000 0.438 87 I N 5.222 125.759 120.570 -0.056 0.000 2.466 87 I HA 0.719 4.890 4.170 0.001 0.000 0.289 87 I C -0.335 175.748 176.117 -0.057 0.000 1.026 87 I CA -0.403 60.868 61.300 -0.047 0.000 1.078 87 I CB 1.967 39.945 38.000 -0.037 0.000 1.249 87 I HN 0.646 nan 8.210 nan 0.000 0.429 88 A N 4.214 127.017 122.820 -0.029 0.000 2.498 88 A HA 0.876 5.196 4.320 0.001 0.000 0.298 88 A C -0.654 176.914 177.584 -0.026 0.000 1.075 88 A CA -0.531 51.460 52.037 -0.077 0.000 0.714 88 A CB 2.045 20.988 19.000 -0.095 0.000 1.299 88 A HN 0.671 nan 8.150 nan 0.000 0.407 89 S N 0.181 115.809 115.700 -0.121 0.000 2.600 89 S HA 0.918 5.389 4.470 0.001 0.000 0.300 89 S C -1.128 173.338 174.600 -0.222 0.000 1.087 89 S CA -0.494 57.692 58.200 -0.022 0.000 0.965 89 S CB 1.092 64.306 63.200 0.024 0.000 1.089 89 S HN 0.597 nan 8.310 nan 0.000 0.496 90 F N 0.677 120.636 119.950 0.016 0.000 2.551 90 F HA 0.659 5.186 4.527 0.001 0.000 0.316 90 F C 0.011 175.788 175.800 -0.039 0.000 1.089 90 F CA -0.741 57.258 58.000 -0.002 0.000 0.915 90 F CB 2.444 41.441 39.000 -0.004 0.000 1.186 90 F HN 0.698 nan 8.300 nan 0.000 0.456 91 V N -1.114 118.828 119.914 0.047 0.000 3.046 91 V HA 0.923 5.043 4.120 0.001 0.000 0.316 91 V C -0.409 175.624 176.094 -0.102 0.000 1.104 91 V CA -0.871 61.388 62.300 -0.070 0.000 1.006 91 V CB 1.499 33.200 31.823 -0.203 0.000 1.058 91 V HN 0.811 nan 8.190 nan 0.000 0.440 92 T N 0.896 115.384 114.554 -0.110 0.000 2.918 92 T HA 0.876 5.226 4.350 0.001 0.000 0.286 92 T C -0.455 174.153 174.700 -0.154 0.000 1.026 92 T CA -0.641 61.394 62.100 -0.109 0.000 1.031 92 T CB 1.661 70.494 68.868 -0.060 0.000 1.046 92 T HN 1.601 nan 8.240 nan 0.000 0.479 93 M N -0.951 118.567 119.600 -0.136 0.000 2.694 93 M HA 0.570 5.051 4.480 0.001 0.000 0.276 93 M C -3.381 172.877 176.300 -0.070 0.000 1.167 93 M CA -2.177 53.050 55.300 -0.122 0.000 0.849 93 M CB 1.320 33.806 32.600 -0.190 0.000 1.705 93 M HN 0.250 nan 8.290 nan 0.000 0.504 94 P HA 0.109 nan 4.420 nan 0.000 0.269 94 P C -0.300 176.994 177.300 -0.009 0.000 1.215 94 P CA 0.224 63.312 63.100 -0.021 0.000 0.780 94 P CB 0.471 32.165 31.700 -0.011 0.000 0.898 95 D N 2.082 122.482 120.400 0.001 0.000 2.149 95 D HA -0.270 4.370 4.640 0.001 0.000 0.194 95 D C 2.051 178.367 176.300 0.026 0.000 1.001 95 D CA 2.411 56.419 54.000 0.014 0.000 0.849 95 D CB -0.285 40.523 40.800 0.014 0.000 0.939 95 D HN 0.465 nan 8.370 nan 0.000 0.449 96 E N 0.467 120.681 120.200 0.023 0.000 2.085 96 E HA -0.255 4.095 4.350 0.001 0.000 0.194 96 E C 2.035 178.663 176.600 0.046 0.000 0.994 96 E CA 1.784 58.202 56.400 0.031 0.000 0.801 96 E CB -0.912 28.802 29.700 0.024 0.000 0.743 96 E HN 0.640 nan 8.360 nan 0.000 0.453 97 E N -0.526 119.702 120.200 0.046 0.000 2.112 97 E HA 0.151 4.502 4.350 0.001 0.000 0.190 97 E C 2.502 179.173 176.600 0.117 0.000 0.979 97 E CA 0.558 57.003 56.400 0.075 0.000 0.814 97 E CB -0.070 29.660 29.700 0.050 0.000 0.762 97 E HN 0.519 nan 8.360 nan 0.000 0.460 98 A N 1.536 124.402 122.820 0.076 0.000 1.978 98 A HA -0.201 4.119 4.320 0.001 0.000 0.220 98 A C 2.005 179.681 177.584 0.154 0.000 1.170 98 A CA 1.201 53.302 52.037 0.105 0.000 0.636 98 A CB -0.406 18.620 19.000 0.043 0.000 0.810 98 A HN 0.073 nan 8.150 nan 0.000 0.448 99 R N -0.710 119.855 120.500 0.108 0.000 2.193 99 R HA -0.082 4.258 4.340 0.001 0.000 0.229 99 R C 1.374 177.736 176.300 0.102 0.000 1.110 99 R CA 1.624 57.780 56.100 0.093 0.000 0.988 99 R CB -0.229 30.109 30.300 0.063 0.000 0.871 99 R HN 0.718 nan 8.270 nan 0.000 0.458 100 T N -4.188 110.443 114.554 0.130 0.000 3.091 100 T HA 0.050 4.401 4.350 0.001 0.000 0.277 100 T C 0.065 174.847 174.700 0.137 0.000 0.996 100 T CA -0.662 61.500 62.100 0.104 0.000 0.897 100 T CB -0.010 68.904 68.868 0.076 0.000 1.109 100 T HN 0.241 nan 8.240 nan 0.000 0.534 101 W N 3.078 124.386 121.300 0.013 0.000 2.193 101 W HA 0.323 4.983 4.660 0.000 0.000 0.338 101 W C -0.856 175.668 176.519 0.007 0.000 1.310 101 W CA -0.299 57.052 57.345 0.010 0.000 1.243 101 W CB 0.492 29.959 29.460 0.013 0.000 1.165 101 W HN 0.118 nan 8.180 nan 0.000 0.566 102 R N 6.356 126.149 120.500 -1.177 0.000 2.476 102 R HA 0.325 4.665 4.340 0.001 0.000 0.305 102 R C -2.204 173.386 176.300 -1.183 0.000 0.965 102 R CA -1.756 53.835 56.100 -0.848 0.000 0.867 102 R CB 1.829 31.816 30.300 -0.521 0.000 1.176 102 R HN 0.250 nan 8.270 nan 0.000 0.447 103 P HA 0.058 nan 4.420 nan 0.000 0.274 103 P C -0.935 176.239 177.300 -0.210 0.000 1.246 103 P CA -0.495 62.455 63.100 -0.251 0.000 0.795 103 P CB 0.696 32.368 31.700 -0.047 0.000 1.006 104 N N 0.453 119.092 118.700 -0.101 0.000 2.439 104 N HA 0.298 5.038 4.740 0.001 0.000 0.249 104 N C -0.753 174.719 175.510 -0.063 0.000 1.003 104 N CA -0.256 52.751 53.050 -0.073 0.000 0.942 104 N CB 1.059 39.534 38.487 -0.021 0.000 1.115 104 N HN 0.122 nan 8.380 nan 0.000 0.505 105 V N 0.967 120.842 119.914 -0.065 0.000 2.604 105 V HA 0.781 4.901 4.120 0.001 0.000 0.305 105 V C -0.252 175.772 176.094 -0.117 0.000 1.043 105 V CA -0.905 61.339 62.300 -0.094 0.000 0.888 105 V CB 1.773 33.562 31.823 -0.057 0.000 0.995 105 V HN 0.712 nan 8.190 nan 0.000 0.429 106 A N 3.970 126.691 122.820 -0.165 0.000 2.371 106 A HA 0.885 5.205 4.320 0.001 0.000 0.311 106 A C -1.581 175.770 177.584 -0.389 0.000 1.068 106 A CA -0.425 51.456 52.037 -0.261 0.000 0.744 106 A CB 0.959 19.811 19.000 -0.246 0.000 1.239 106 A HN 0.703 nan 8.150 nan 0.000 0.435 107 Y N 0.245 120.303 120.300 -0.404 0.000 2.528 107 Y HA 0.743 5.293 4.550 0.001 0.000 0.335 107 Y C -0.505 174.966 175.900 -0.715 0.000 1.093 107 Y CA -0.417 57.486 58.100 -0.328 0.000 1.134 107 Y CB 1.899 40.197 38.460 -0.269 0.000 1.253 107 Y HN 0.604 nan 8.280 nan 0.000 0.478 108 F N 0.162 120.147 119.950 0.059 0.000 2.588 108 F HA 0.534 5.061 4.527 0.001 0.000 0.314 108 F C -0.448 175.353 175.800 0.003 0.000 1.069 108 F CA -1.072 56.913 58.000 -0.025 0.000 0.931 108 F CB 2.246 41.188 39.000 -0.098 0.000 1.260 108 F HN 0.489 nan 8.300 nan 0.000 0.465 109 E N 0.120 120.420 120.200 0.167 0.000 2.446 109 E HA 0.689 5.039 4.350 0.001 0.000 0.276 109 E C 0.281 176.941 176.600 0.100 0.000 0.969 109 E CA -0.890 55.570 56.400 0.099 0.000 0.800 109 E CB 1.897 31.622 29.700 0.041 0.000 1.341 109 E HN 0.821 nan 8.360 nan 0.000 0.460 110 G N 1.826 110.666 108.800 0.066 0.000 2.672 110 G HA2 -0.370 3.590 3.960 0.001 0.000 0.324 110 G HA3 -0.370 3.590 3.960 0.001 0.000 0.324 110 G C -0.021 174.919 174.900 0.067 0.000 1.286 110 G CA 0.797 45.931 45.100 0.057 0.000 1.004 110 G HN 0.730 nan 8.290 nan 0.000 0.548 111 D N 2.320 122.763 120.400 0.073 0.000 2.631 111 D HA 0.320 4.960 4.640 0.001 0.000 0.227 111 D C 0.922 177.293 176.300 0.118 0.000 1.146 111 D CA 0.073 54.116 54.000 0.073 0.000 1.009 111 D CB -1.276 39.560 40.800 0.059 0.000 1.057 111 D HN 0.389 nan 8.370 nan 0.000 0.509 112 N N 1.625 120.398 118.700 0.120 0.000 2.710 112 N HA -0.244 4.496 4.740 0.001 0.000 0.249 112 N C -0.834 174.903 175.510 0.379 0.000 1.059 112 N CA 0.699 53.854 53.050 0.176 0.000 0.720 112 N CB -1.060 37.522 38.487 0.159 0.000 0.983 112 N HN 0.630 nan 8.380 nan 0.000 0.544 113 E N 0.088 120.462 120.200 0.291 0.000 2.152 113 E HA 0.172 4.523 4.350 0.001 0.000 0.285 113 E C 0.694 177.378 176.600 0.140 0.000 1.043 113 E CA -0.322 56.214 56.400 0.227 0.000 0.839 113 E CB 0.870 30.647 29.700 0.128 0.000 1.069 113 E HN 0.257 nan 8.360 nan 0.000 0.399 114 M N 3.619 123.233 119.600 0.024 0.000 2.238 114 M HA 0.038 4.519 4.480 0.001 0.000 0.350 114 M C -0.312 175.854 176.300 -0.223 0.000 1.321 114 M CA 0.085 55.147 55.300 -0.397 0.000 1.097 114 M CB 0.367 32.759 32.600 -0.348 0.000 1.713 114 M HN 0.194 nan 8.290 nan 0.000 0.455 115 K N 4.342 124.579 120.400 -0.271 0.000 2.378 115 K HA 0.265 4.585 4.320 0.001 0.000 0.288 115 K C 0.018 176.547 176.600 -0.118 0.000 1.057 115 K CA -0.009 56.192 56.287 -0.143 0.000 0.971 115 K CB 0.198 32.623 32.500 -0.126 0.000 0.975 115 K HN 0.804 nan 8.250 nan 0.000 0.475 116 R N 0.000 120.455 120.500 -0.076 0.000 2.786 116 R HA 0.000 4.340 4.340 0.001 0.000 0.208 116 R CA 0.000 56.069 56.100 -0.052 0.000 0.921 116 R CB 0.000 30.283 30.300 -0.029 0.000 0.687 116 R HN 0.000 nan 8.270 nan 0.000 0.535