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 1i50_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.257 176.300 -0.071 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.054 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 N N 2.079 120.729 118.700 -0.083 0.000 2.457 2 N HA 0.256 4.996 4.740 0.000 0.000 0.180 2 N C 0.508 175.926 175.510 -0.153 0.000 1.050 2 N CA 0.937 53.923 53.050 -0.106 0.000 0.906 2 N CB 0.378 38.802 38.487 -0.105 0.000 0.968 2 N HN 0.559 nan 8.380 nan 0.000 0.445 3 A N 3.051 125.778 122.820 -0.154 0.000 2.488 3 A HA 0.238 4.558 4.320 0.000 0.000 0.249 3 A C -1.701 175.766 177.584 -0.194 0.000 1.083 3 A CA -0.814 51.108 52.037 -0.191 0.000 0.768 3 A CB -0.099 18.809 19.000 -0.154 0.000 1.017 3 A HN 0.084 nan 8.150 nan 0.000 0.496 4 P HA 0.214 nan 4.420 nan 0.000 0.276 4 P C -0.698 176.422 177.300 -0.299 0.000 1.244 4 P CA -0.591 62.359 63.100 -0.249 0.000 0.801 4 P CB 0.648 32.195 31.700 -0.255 0.000 1.006 5 D N 1.327 121.475 120.400 -0.420 0.000 2.423 5 D HA -0.012 4.628 4.640 0.000 0.000 0.238 5 D C 1.641 177.584 176.300 -0.594 0.000 1.142 5 D CA 0.047 53.694 54.000 -0.588 0.000 0.884 5 D CB 0.912 41.037 40.800 -1.125 0.000 1.199 5 D HN 0.218 nan 8.370 nan 0.000 0.438 6 R N 1.987 122.258 120.500 -0.382 0.000 2.115 6 R HA -0.130 4.210 4.340 0.000 0.000 0.230 6 R C 2.058 178.182 176.300 -0.293 0.000 1.111 6 R CA 0.734 56.706 56.100 -0.214 0.000 0.976 6 R CB -0.479 29.808 30.300 -0.021 0.000 0.870 6 R HN 0.559 nan 8.270 nan 0.000 0.445 7 F N 1.104 120.884 119.950 -0.283 0.000 2.451 7 F HA 0.040 4.567 4.527 -0.000 0.000 0.299 7 F C 1.211 176.483 175.800 -0.879 0.000 1.101 7 F CA 0.360 57.885 58.000 -0.792 0.000 1.436 7 F CB -0.724 38.068 39.000 -0.345 0.000 1.074 7 F HN -0.086 nan 8.300 nan 0.000 0.553 8 E N 0.836 120.702 120.200 -0.557 0.000 2.516 8 E HA -0.031 4.319 4.350 0.000 0.000 0.199 8 E C 1.932 178.402 176.600 -0.217 0.000 1.069 8 E CA 0.338 56.568 56.400 -0.282 0.000 0.876 8 E CB -0.219 29.289 29.700 -0.321 0.000 0.843 8 E HN 0.551 nan 8.360 nan 0.000 0.530 9 L N -0.398 120.642 121.223 -0.305 0.000 2.209 9 L HA -0.024 4.316 4.340 0.000 0.000 0.207 9 L C 1.644 178.541 176.870 0.047 0.000 1.094 9 L CA 0.729 55.529 54.840 -0.067 0.000 0.790 9 L CB 0.011 42.113 42.059 0.071 0.000 0.932 9 L HN 0.246 nan 8.230 nan 0.000 0.447 10 F N -3.485 116.537 119.950 0.119 0.000 2.767 10 F HA 0.418 4.945 4.527 0.000 0.000 0.323 10 F C 0.037 175.904 175.800 0.112 0.000 1.091 10 F CA -0.769 57.296 58.000 0.109 0.000 1.192 10 F CB 0.019 39.075 39.000 0.092 0.000 1.056 10 F HN -0.277 nan 8.300 nan 0.000 0.571 11 L N 2.868 124.038 121.223 -0.088 0.000 2.287 11 L HA 0.456 4.796 4.340 0.000 0.000 0.287 11 L C -0.512 176.388 176.870 0.050 0.000 1.022 11 L CA -1.155 53.708 54.840 0.037 0.000 0.814 11 L CB 1.237 43.291 42.059 -0.008 0.000 1.217 11 L HN 0.048 nan 8.230 nan 0.000 0.420 12 L N 3.599 124.857 121.223 0.059 0.000 2.534 12 L HA 0.306 4.646 4.340 0.000 0.000 0.271 12 L C 1.271 178.165 176.870 0.040 0.000 1.178 12 L CA 0.650 55.517 54.840 0.045 0.000 0.907 12 L CB 0.094 42.174 42.059 0.035 0.000 1.164 12 L HN 0.738 nan 8.230 nan 0.000 0.482 13 G N 2.488 111.315 108.800 0.045 0.000 2.486 13 G HA2 0.133 4.093 3.960 0.000 0.000 0.272 13 G HA3 0.133 4.093 3.960 0.000 0.000 0.272 13 G C -0.294 174.621 174.900 0.026 0.000 1.426 13 G CA -0.485 44.644 45.100 0.049 0.000 1.058 13 G HN 0.615 nan 8.290 nan 0.000 0.531 14 E N -1.192 119.021 120.200 0.022 0.000 2.301 14 E HA 0.433 4.783 4.350 0.000 0.000 0.275 14 E C 1.080 177.684 176.600 0.005 0.000 1.030 14 E CA 0.500 56.907 56.400 0.010 0.000 0.852 14 E CB 0.696 30.401 29.700 0.009 0.000 1.060 14 E HN 0.920 nan 8.360 nan 0.000 0.401 15 G N 3.105 111.904 108.800 -0.001 0.000 2.205 15 G HA2 -0.297 3.663 3.960 0.000 0.000 0.261 15 G HA3 -0.297 3.663 3.960 0.000 0.000 0.261 15 G C -0.044 174.851 174.900 -0.009 0.000 0.980 15 G CA 0.442 45.538 45.100 -0.006 0.000 0.632 15 G HN 0.560 nan 8.290 nan 0.000 0.533 16 E N 0.474 120.671 120.200 -0.005 0.000 2.242 16 E HA 0.633 4.983 4.350 0.000 0.000 0.275 16 E C -0.337 176.253 176.600 -0.016 0.000 1.002 16 E CA -0.270 56.124 56.400 -0.010 0.000 0.841 16 E CB 1.481 31.182 29.700 0.001 0.000 1.109 16 E HN 0.179 nan 8.360 nan 0.000 0.394 17 S N 1.470 117.151 115.700 -0.031 0.000 2.607 17 S HA 0.205 4.675 4.470 0.000 0.000 0.303 17 S C 0.717 175.283 174.600 -0.055 0.000 1.086 17 S CA -0.872 57.303 58.200 -0.042 0.000 0.995 17 S CB 1.565 64.731 63.200 -0.057 0.000 1.084 17 S HN 0.375 nan 8.310 nan 0.000 0.507 18 K N 0.364 120.729 120.400 -0.059 0.000 2.211 18 K HA 0.150 4.470 4.320 0.000 0.000 0.203 18 K C -0.006 176.483 176.600 -0.185 0.000 1.050 18 K CA 1.017 57.261 56.287 -0.072 0.000 0.945 18 K CB -0.320 32.154 32.500 -0.044 0.000 0.732 18 K HN 0.492 nan 8.250 nan 0.000 0.451 19 L N 0.401 121.497 121.223 -0.212 0.000 2.445 19 L HA 0.385 4.725 4.340 0.000 0.000 0.262 19 L C -0.795 175.949 176.870 -0.210 0.000 0.974 19 L CA -0.792 53.855 54.840 -0.323 0.000 0.822 19 L CB 2.462 44.283 42.059 -0.396 0.000 1.339 19 L HN -0.283 nan 8.230 nan 0.000 0.409 20 K N 3.830 124.106 120.400 -0.207 0.000 2.579 20 K HA 0.608 4.928 4.320 0.000 0.000 0.250 20 K C -1.250 175.274 176.600 -0.127 0.000 0.952 20 K CA -0.419 55.790 56.287 -0.130 0.000 0.857 20 K CB 2.419 34.862 32.500 -0.096 0.000 1.123 20 K HN 0.439 nan 8.250 nan 0.000 0.433 21 I N 2.794 123.302 120.570 -0.102 0.000 2.336 21 I HA 0.278 4.448 4.170 0.000 0.000 0.292 21 I C -0.401 175.687 176.117 -0.049 0.000 0.991 21 I CA -0.544 60.709 61.300 -0.080 0.000 1.227 21 I CB 1.228 39.182 38.000 -0.076 0.000 1.366 21 I HN 0.437 nan 8.210 nan 0.000 0.466 22 D N 7.588 127.969 120.400 -0.033 0.000 2.575 22 D HA 0.373 5.013 4.640 0.000 0.000 0.236 22 D C -2.649 173.644 176.300 -0.010 0.000 1.075 22 D CA -1.193 52.794 54.000 -0.021 0.000 0.860 22 D CB 2.665 43.454 40.800 -0.018 0.000 1.475 22 D HN 0.233 nan 8.370 nan 0.000 0.474 23 P HA 0.103 nan 4.420 nan 0.000 0.286 23 P C -0.478 176.819 177.300 -0.005 0.000 1.269 23 P CA -0.294 62.803 63.100 -0.006 0.000 0.787 23 P CB 1.514 33.209 31.700 -0.008 0.000 0.920 24 D N 2.310 122.709 120.400 -0.002 0.000 2.345 24 D HA 0.094 4.734 4.640 0.000 0.000 0.247 24 D C 0.490 176.781 176.300 -0.016 0.000 1.108 24 D CA 0.131 54.126 54.000 -0.008 0.000 0.894 24 D CB 1.203 41.998 40.800 -0.009 0.000 1.203 24 D HN 0.199 nan 8.370 nan 0.000 0.430 25 T N 3.038 117.580 114.554 -0.020 0.000 3.046 25 T HA -0.012 4.338 4.350 0.000 0.000 0.242 25 T C 1.711 176.394 174.700 -0.028 0.000 1.018 25 T CA 0.078 62.166 62.100 -0.021 0.000 1.131 25 T CB 0.253 69.111 68.868 -0.018 0.000 0.904 25 T HN 0.376 nan 8.240 nan 0.000 0.459 26 K N 1.734 122.111 120.400 -0.037 0.000 2.228 26 K HA 0.006 4.326 4.320 0.000 0.000 0.205 26 K C 0.880 177.448 176.600 -0.053 0.000 1.045 26 K CA 0.819 57.077 56.287 -0.048 0.000 0.931 26 K CB -0.209 32.253 32.500 -0.064 0.000 0.727 26 K HN 0.419 nan 8.250 nan 0.000 0.458 27 A N 1.102 123.890 122.820 -0.054 0.000 2.556 27 A HA 0.520 4.840 4.320 0.000 0.000 0.294 27 A C -2.732 174.834 177.584 -0.030 0.000 1.091 27 A CA -1.400 50.607 52.037 -0.050 0.000 0.704 27 A CB 1.828 20.779 19.000 -0.081 0.000 1.300 27 A HN -0.149 nan 8.150 nan 0.000 0.406 28 P HA 0.261 nan 4.420 nan 0.000 0.284 28 P C -0.324 176.977 177.300 0.001 0.000 1.253 28 P CA -0.038 63.059 63.100 -0.006 0.000 0.800 28 P CB 0.943 32.642 31.700 -0.001 0.000 0.961 29 N N -0.997 117.706 118.700 0.005 0.000 2.776 29 N HA -0.156 4.584 4.740 0.000 0.000 0.250 29 N C -0.576 174.938 175.510 0.007 0.000 1.112 29 N CA 1.133 54.188 53.050 0.009 0.000 0.733 29 N CB -1.306 37.192 38.487 0.019 0.000 1.097 29 N HN 0.699 nan 8.380 nan 0.000 0.558 30 A N -0.145 122.678 122.820 0.006 0.000 2.342 30 A HA 0.772 5.092 4.320 0.000 0.000 0.323 30 A C 0.035 177.630 177.584 0.019 0.000 1.125 30 A CA -0.375 51.672 52.037 0.017 0.000 0.785 30 A CB 2.124 21.123 19.000 -0.003 0.000 1.221 30 A HN 0.001 nan 8.150 nan 0.000 0.463 31 V N 1.704 121.641 119.914 0.039 0.000 3.001 31 V HA 0.600 4.720 4.120 0.000 0.000 0.314 31 V C -0.787 175.345 176.094 0.064 0.000 1.099 31 V CA -0.494 61.826 62.300 0.034 0.000 0.989 31 V CB 2.322 34.155 31.823 0.017 0.000 1.040 31 V HN 0.692 nan 8.190 nan 0.000 0.434 32 V N 4.584 124.527 119.914 0.048 0.000 2.443 32 V HA 0.522 4.642 4.120 0.000 0.000 0.293 32 V C -0.522 175.597 176.094 0.041 0.000 1.021 32 V CA -0.286 62.057 62.300 0.071 0.000 0.848 32 V CB 1.540 33.396 31.823 0.056 0.000 0.998 32 V HN 0.630 nan 8.190 nan 0.000 0.424 33 I N 3.359 123.971 120.570 0.070 0.000 2.412 33 I HA 0.494 4.665 4.170 0.000 0.000 0.296 33 I C 0.163 176.277 176.117 -0.006 0.000 0.987 33 I CA -0.335 60.950 61.300 -0.025 0.000 1.180 33 I CB 2.037 39.991 38.000 -0.078 0.000 1.340 33 I HN 0.402 nan 8.210 nan 0.000 0.455 34 T N 5.932 120.407 114.554 -0.131 0.000 2.788 34 T HA 0.457 4.807 4.350 0.000 0.000 0.296 34 T C -0.527 174.030 174.700 -0.239 0.000 1.009 34 T CA -0.262 61.775 62.100 -0.105 0.000 0.949 34 T CB 0.088 68.910 68.868 -0.076 0.000 0.946 34 T HN 0.115 nan 8.240 nan 0.000 0.453 35 F N 3.098 122.757 119.950 -0.485 0.000 2.404 35 F HA 0.320 4.847 4.527 -0.000 0.000 0.358 35 F C 1.069 176.692 175.800 -0.296 0.000 1.120 35 F CA -0.950 56.758 58.000 -0.488 0.000 1.144 35 F CB 0.731 39.150 39.000 -0.968 0.000 1.133 35 F HN 0.332 nan 8.300 nan 0.000 0.495 36 E N 4.070 124.261 120.200 -0.016 0.000 2.249 36 E HA 0.190 4.540 4.350 0.000 0.000 0.280 36 E C 0.061 176.710 176.600 0.082 0.000 1.016 36 E CA -0.415 56.001 56.400 0.028 0.000 0.830 36 E CB 1.046 30.749 29.700 0.005 0.000 1.081 36 E HN 0.357 nan 8.360 nan 0.000 0.395 37 K N 1.416 121.882 120.400 0.110 0.000 3.161 37 K HA -0.145 4.175 4.320 0.000 0.000 0.270 37 K C -0.427 176.283 176.600 0.184 0.000 1.115 37 K CA 0.736 57.107 56.287 0.140 0.000 0.789 37 K CB -1.237 31.338 32.500 0.125 0.000 1.256 37 K HN 0.533 nan 8.250 nan 0.000 0.492 38 E N 0.262 120.589 120.200 0.213 0.000 2.390 38 E HA 0.384 4.734 4.350 0.000 0.000 0.277 38 E C -0.054 176.740 176.600 0.325 0.000 0.939 38 E CA -0.546 56.014 56.400 0.268 0.000 0.769 38 E CB 2.090 31.988 29.700 0.330 0.000 1.251 38 E HN 0.237 nan 8.360 nan 0.000 0.450 39 D N -1.328 119.200 120.400 0.213 0.000 2.808 39 D HA 0.199 4.839 4.640 0.000 0.000 0.249 39 D C 0.998 177.199 176.300 -0.165 0.000 1.151 39 D CA -0.316 53.734 54.000 0.084 0.000 1.089 39 D CB 0.041 40.908 40.800 0.112 0.000 1.295 39 D HN 0.330 nan 8.370 nan 0.000 0.631 40 H N -0.832 118.207 119.070 -0.053 0.000 2.492 40 H HA -0.096 4.460 4.556 0.000 0.000 0.296 40 H C 1.439 176.596 175.328 -0.286 0.000 1.095 40 H CA 1.841 57.790 56.048 -0.164 0.000 1.281 40 H CB -0.370 29.395 29.762 0.005 0.000 1.374 40 H HN 0.409 nan 8.280 nan 0.000 0.545 41 T N 1.028 115.541 114.554 -0.067 0.000 2.684 41 T HA -0.134 4.216 4.350 0.000 0.000 0.267 41 T C 2.150 176.737 174.700 -0.189 0.000 1.036 41 T CA 1.110 63.154 62.100 -0.092 0.000 1.148 41 T CB -0.194 68.656 68.868 -0.030 0.000 0.863 41 T HN 0.089 nan 8.240 nan 0.000 0.436 42 L N 0.354 121.430 121.223 -0.246 0.000 2.253 42 L HA 0.371 4.711 4.340 0.000 0.000 0.205 42 L C 2.533 179.025 176.870 -0.629 0.000 1.078 42 L CA 1.196 55.869 54.840 -0.278 0.000 0.805 42 L CB -1.187 40.824 42.059 -0.080 0.000 0.963 42 L HN 0.280 nan 8.230 nan 0.000 0.459 43 G N -0.260 107.797 108.800 -1.238 0.000 2.587 43 G HA2 -0.427 3.533 3.960 0.000 0.000 0.217 43 G HA3 -0.427 3.533 3.960 0.000 0.000 0.217 43 G C 1.463 175.351 174.900 -1.687 0.000 1.240 43 G CA 1.121 44.929 45.100 -2.153 0.000 0.794 43 G HN 0.447 nan 8.290 nan 0.000 0.580 44 N N -0.245 117.614 118.700 -1.401 0.000 2.364 44 N HA -0.049 4.691 4.740 0.000 0.000 0.183 44 N C 1.963 177.247 175.510 -0.377 0.000 1.022 44 N CA 0.757 53.414 53.050 -0.655 0.000 0.883 44 N CB -0.174 38.185 38.487 -0.213 0.000 0.965 44 N HN 0.281 nan 8.380 nan 0.000 0.438 45 L N 0.578 121.575 121.223 -0.377 0.000 1.982 45 L HA 0.107 4.447 4.340 0.000 0.000 0.206 45 L C 1.908 178.666 176.870 -0.188 0.000 1.078 45 L CA 1.459 56.166 54.840 -0.222 0.000 0.749 45 L CB -0.814 41.136 42.059 -0.182 0.000 0.894 45 L HN 0.183 nan 8.230 nan 0.000 0.436 46 I N -0.507 119.938 120.570 -0.208 0.000 2.399 46 I HA -0.304 3.866 4.170 0.000 0.000 0.254 46 I C 2.652 178.704 176.117 -0.108 0.000 1.146 46 I CA 0.836 62.065 61.300 -0.118 0.000 1.412 46 I CB -0.510 37.438 38.000 -0.086 0.000 1.076 46 I HN 0.371 nan 8.210 nan 0.000 0.432 47 R N 1.366 121.758 120.500 -0.181 0.000 2.061 47 R HA -0.114 4.226 4.340 0.000 0.000 0.230 47 R C 2.373 178.623 176.300 -0.083 0.000 1.140 47 R CA 1.870 57.901 56.100 -0.116 0.000 0.940 47 R CB -0.618 29.616 30.300 -0.110 0.000 0.839 47 R HN 0.348 nan 8.270 nan 0.000 0.429 48 A N 1.410 124.176 122.820 -0.090 0.000 1.883 48 A HA -0.178 4.142 4.320 0.000 0.000 0.217 48 A C 2.078 179.637 177.584 -0.043 0.000 1.186 48 A CA 1.595 53.596 52.037 -0.060 0.000 0.624 48 A CB -0.432 18.530 19.000 -0.062 0.000 0.822 48 A HN 0.310 nan 8.150 nan 0.000 0.444 49 E N -0.197 119.977 120.200 -0.043 0.000 2.047 49 E HA -0.118 4.232 4.350 0.000 0.000 0.191 49 E C 2.045 178.641 176.600 -0.007 0.000 0.987 49 E CA 0.835 57.223 56.400 -0.020 0.000 0.799 49 E CB -0.520 29.170 29.700 -0.015 0.000 0.752 49 E HN 0.632 nan 8.360 nan 0.000 0.449 50 L N 0.341 121.557 121.223 -0.013 0.000 2.197 50 L HA -0.221 4.119 4.340 0.000 0.000 0.215 50 L C 2.340 179.206 176.870 -0.008 0.000 1.095 50 L CA 0.550 55.387 54.840 -0.005 0.000 0.764 50 L CB -0.182 41.866 42.059 -0.017 0.000 0.897 50 L HN 0.117 nan 8.230 nan 0.000 0.436 51 L N -0.691 120.518 121.223 -0.022 0.000 2.478 51 L HA -0.054 4.286 4.340 0.000 0.000 0.223 51 L C 1.904 178.775 176.870 0.001 0.000 1.140 51 L CA 1.129 55.957 54.840 -0.021 0.000 0.842 51 L CB -0.512 41.524 42.059 -0.038 0.000 0.953 51 L HN 0.228 nan 8.230 nan 0.000 0.452 52 N N -0.694 118.010 118.700 0.008 0.000 2.463 52 N HA -0.074 4.666 4.740 0.000 0.000 0.181 52 N C 0.165 175.696 175.510 0.034 0.000 1.078 52 N CA 0.276 53.336 53.050 0.016 0.000 0.902 52 N CB -0.039 38.456 38.487 0.012 0.000 0.970 52 N HN 0.316 nan 8.380 nan 0.000 0.451 53 D N 0.647 121.077 120.400 0.050 0.000 2.277 53 D HA 0.114 4.754 4.640 0.000 0.000 0.249 53 D C 0.894 177.247 176.300 0.089 0.000 1.134 53 D CA -0.152 53.901 54.000 0.088 0.000 0.863 53 D CB 1.025 41.905 40.800 0.132 0.000 1.143 53 D HN 0.006 nan 8.370 nan 0.000 0.458 54 R N 2.543 123.094 120.500 0.085 0.000 2.153 54 R HA 0.008 4.348 4.340 0.000 0.000 0.218 54 R C 1.234 177.599 176.300 0.108 0.000 1.072 54 R CA 0.660 56.805 56.100 0.076 0.000 0.990 54 R CB 0.359 30.689 30.300 0.050 0.000 0.889 54 R HN 0.347 nan 8.270 nan 0.000 0.452 55 K N 0.714 121.216 120.400 0.170 0.000 2.546 55 K HA 0.113 4.433 4.320 0.000 0.000 0.198 55 K C -0.368 176.401 176.600 0.282 0.000 1.028 55 K CA 0.101 56.540 56.287 0.252 0.000 1.150 55 K CB 0.656 33.328 32.500 0.288 0.000 0.876 55 K HN -0.083 nan 8.250 nan 0.000 0.508 56 V N 1.910 121.923 119.914 0.166 0.000 2.370 56 V HA 0.132 4.252 4.120 0.000 0.000 0.283 56 V C 0.901 177.042 176.094 0.080 0.000 1.023 56 V CA -0.306 62.040 62.300 0.076 0.000 0.857 56 V CB 1.492 33.339 31.823 0.039 0.000 0.985 56 V HN 0.227 nan 8.190 nan 0.000 0.443 57 L N 4.810 126.088 121.223 0.093 0.000 2.416 57 L HA 0.380 4.720 4.340 0.000 0.000 0.216 57 L C 0.064 177.066 176.870 0.220 0.000 1.098 57 L CA 0.811 55.728 54.840 0.129 0.000 0.840 57 L CB 0.180 42.309 42.059 0.116 0.000 0.981 57 L HN 0.527 nan 8.230 nan 0.000 0.462 58 F N 0.225 120.182 119.950 0.012 0.000 2.635 58 F HA 0.663 5.190 4.527 -0.000 0.000 0.314 58 F C -1.469 174.345 175.800 0.024 0.000 1.119 58 F CA -0.930 57.081 58.000 0.019 0.000 1.000 58 F CB 1.491 40.502 39.000 0.017 0.000 1.278 58 F HN -0.292 nan 8.300 nan 0.000 0.446 59 A N 4.021 126.329 122.820 -0.852 0.000 2.500 59 A HA 0.916 5.236 4.320 0.000 0.000 0.288 59 A C -1.843 175.379 177.584 -0.603 0.000 1.045 59 A CA 0.147 51.879 52.037 -0.509 0.000 0.830 59 A CB 0.818 19.695 19.000 -0.205 0.000 1.337 59 A HN 1.890 nan 8.150 nan 0.000 0.400 60 A N 1.489 124.087 122.820 -0.371 0.000 2.604 60 A HA 0.919 5.239 4.320 0.000 0.000 0.295 60 A C -1.151 176.502 177.584 0.116 0.000 1.067 60 A CA -0.272 51.677 52.037 -0.146 0.000 0.683 60 A CB 0.959 19.846 19.000 -0.188 0.000 1.281 60 A HN 2.177 nan 8.150 nan 0.000 0.407 61 Y N -0.019 120.265 120.300 -0.028 0.000 2.669 61 Y HA 0.875 5.425 4.550 -0.000 0.000 0.335 61 Y C -0.826 175.091 175.900 0.028 0.000 1.116 61 Y CA -0.824 57.296 58.100 0.032 0.000 1.081 61 Y CB 1.754 40.149 38.460 -0.109 0.000 1.297 61 Y HN 0.956 nan 8.280 nan 0.000 0.484 62 K N 0.902 121.199 120.400 -0.171 0.000 2.600 62 K HA 0.492 4.812 4.320 0.000 0.000 0.262 62 K C -2.345 174.262 176.600 0.011 0.000 0.935 62 K CA -0.859 55.259 56.287 -0.281 0.000 0.866 62 K CB 1.799 34.219 32.500 -0.133 0.000 1.354 62 K HN 1.092 nan 8.250 nan 0.000 0.419 63 V N 1.828 121.723 119.914 -0.031 0.000 2.318 63 V HA 0.242 4.362 4.120 0.000 0.000 0.271 63 V C 0.817 176.962 176.094 0.085 0.000 1.030 63 V CA 0.089 62.438 62.300 0.082 0.000 0.844 63 V CB 0.869 32.704 31.823 0.020 0.000 1.015 63 V HN 0.964 nan 8.190 nan 0.000 0.460 64 E N 3.481 123.747 120.200 0.110 0.000 2.171 64 E HA -0.147 4.203 4.350 0.000 0.000 0.197 64 E C 0.253 176.940 176.600 0.145 0.000 0.997 64 E CA 1.888 58.347 56.400 0.098 0.000 0.810 64 E CB 0.018 29.770 29.700 0.086 0.000 0.738 64 E HN 0.934 nan 8.360 nan 0.000 0.467 65 H N -1.682 117.475 119.070 0.144 0.000 3.149 65 H HA 0.088 4.644 4.556 0.000 0.000 0.334 65 H C -2.053 173.385 175.328 0.183 0.000 1.000 65 H CA -1.803 54.341 56.048 0.160 0.000 1.415 65 H CB 1.670 31.614 29.762 0.303 0.000 1.819 65 H HN -0.188 nan 8.280 nan 0.000 0.486 66 P HA -0.228 nan 4.420 nan 0.000 0.219 66 P C 1.191 178.691 177.300 0.333 0.000 1.144 66 P CA 1.318 64.541 63.100 0.205 0.000 0.806 66 P CB 0.055 31.783 31.700 0.046 0.000 0.771 67 F N -1.030 119.085 119.950 0.275 0.000 2.171 67 F HA -0.089 4.438 4.527 0.000 0.000 0.300 67 F C 1.104 176.567 175.800 -0.563 0.000 1.090 67 F CA 0.064 57.840 58.000 -0.373 0.000 1.293 67 F CB -0.270 38.098 39.000 -1.053 0.000 1.013 67 F HN -0.196 nan 8.300 nan 0.000 0.486 68 F N -0.249 119.857 119.950 0.259 0.000 2.422 68 F HA 0.511 5.038 4.527 -0.000 0.000 0.333 68 F C 0.329 176.209 175.800 0.134 0.000 1.095 68 F CA -1.466 56.618 58.000 0.140 0.000 1.038 68 F CB 0.719 39.777 39.000 0.096 0.000 1.156 68 F HN -0.322 nan 8.300 nan 0.000 0.483 69 A N 4.519 127.492 122.820 0.255 0.000 2.650 69 A HA 0.698 5.018 4.320 0.000 0.000 0.320 69 A C -0.043 177.661 177.584 0.201 0.000 1.466 69 A CA -0.427 51.732 52.037 0.204 0.000 1.099 69 A CB -0.534 18.557 19.000 0.153 0.000 1.136 69 A HN 0.913 nan 8.150 nan 0.000 0.532 70 R N 0.713 121.346 120.500 0.220 0.000 2.728 70 R HA 0.625 4.965 4.340 0.000 0.000 0.259 70 R C -1.284 175.157 176.300 0.236 0.000 1.057 70 R CA -0.762 55.440 56.100 0.169 0.000 0.908 70 R CB 0.534 30.899 30.300 0.108 0.000 1.259 70 R HN 0.773 nan 8.270 nan 0.000 0.472 71 F N -0.570 119.460 119.950 0.134 0.000 2.650 71 F HA 0.736 5.263 4.527 0.000 0.000 0.320 71 F C -1.299 174.613 175.800 0.187 0.000 1.091 71 F CA -1.280 56.792 58.000 0.120 0.000 0.962 71 F CB 1.999 41.055 39.000 0.093 0.000 1.363 71 F HN 0.427 nan 8.300 nan 0.000 0.482 72 K N 2.075 122.724 120.400 0.416 0.000 2.270 72 K HA 0.603 4.923 4.320 0.000 0.000 0.255 72 K C -1.722 175.154 176.600 0.460 0.000 0.936 72 K CA -0.841 55.626 56.287 0.299 0.000 0.809 72 K CB 2.389 35.000 32.500 0.185 0.000 1.131 72 K HN 0.717 nan 8.250 nan 0.000 0.427 73 L N 3.482 124.951 121.223 0.410 0.000 2.349 73 L HA 0.464 4.804 4.340 0.000 0.000 0.278 73 L C -1.052 175.988 176.870 0.284 0.000 0.996 73 L CA -0.683 54.404 54.840 0.413 0.000 0.825 73 L CB 1.476 43.869 42.059 0.556 0.000 1.243 73 L HN 0.640 nan 8.230 nan 0.000 0.412 74 R N 5.795 126.453 120.500 0.264 0.000 2.387 74 R HA 0.690 5.030 4.340 0.000 0.000 0.314 74 R C -1.434 175.033 176.300 0.278 0.000 0.958 74 R CA -0.498 55.766 56.100 0.273 0.000 0.846 74 R CB 1.359 31.878 30.300 0.366 0.000 1.147 74 R HN 0.620 nan 8.270 nan 0.000 0.447 75 I N 2.949 123.646 120.570 0.211 0.000 2.545 75 I HA 0.333 4.503 4.170 0.000 0.000 0.292 75 I C -0.571 175.638 176.117 0.152 0.000 1.040 75 I CA -0.843 60.551 61.300 0.157 0.000 1.068 75 I CB 2.203 40.237 38.000 0.057 0.000 1.251 75 I HN 0.488 nan 8.210 nan 0.000 0.424 76 Q N 4.482 124.388 119.800 0.178 0.000 2.337 76 Q HA 0.607 4.947 4.340 0.000 0.000 0.270 76 Q C -1.275 174.758 176.000 0.055 0.000 1.043 76 Q CA -0.530 55.343 55.803 0.116 0.000 0.794 76 Q CB 2.644 31.476 28.738 0.156 0.000 1.281 76 Q HN 0.868 nan 8.270 nan 0.000 0.446 77 T N -0.725 113.828 114.554 -0.002 0.000 2.887 77 T HA 0.466 4.816 4.350 0.000 0.000 0.292 77 T C 0.055 174.788 174.700 0.056 0.000 1.087 77 T CA -0.676 61.411 62.100 -0.023 0.000 1.009 77 T CB 1.472 70.189 68.868 -0.251 0.000 1.203 77 T HN 0.392 nan 8.240 nan 0.000 0.518 78 T N 1.968 116.602 114.554 0.133 0.000 2.937 78 T HA 0.111 4.461 4.350 0.000 0.000 0.316 78 T C 0.459 175.238 174.700 0.132 0.000 1.079 78 T CA -0.103 62.080 62.100 0.138 0.000 1.131 78 T CB 0.222 69.190 68.868 0.166 0.000 1.000 78 T HN 0.763 nan 8.240 nan 0.000 0.549 79 E N 0.738 120.992 120.200 0.089 0.000 2.452 79 E HA 0.179 4.529 4.350 0.000 0.000 0.261 79 E C 1.308 177.963 176.600 0.092 0.000 0.987 79 E CA 0.736 57.181 56.400 0.074 0.000 0.926 79 E CB -0.232 29.498 29.700 0.049 0.000 0.934 79 E HN 0.863 nan 8.360 nan 0.000 0.452 80 G N 3.974 112.829 108.800 0.090 0.000 2.358 80 G HA2 -0.339 3.621 3.960 0.000 0.000 0.224 80 G HA3 -0.339 3.621 3.960 0.000 0.000 0.224 80 G C -0.081 174.913 174.900 0.157 0.000 1.073 80 G CA 0.229 45.384 45.100 0.092 0.000 0.635 80 G HN 0.697 nan 8.290 nan 0.000 0.509 81 Y N 2.913 123.225 120.300 0.020 0.000 2.436 81 Y HA 0.439 4.989 4.550 0.000 0.000 0.343 81 Y C -0.087 175.828 175.900 0.025 0.000 1.008 81 Y CA -0.718 57.395 58.100 0.022 0.000 1.241 81 Y CB 0.630 39.105 38.460 0.026 0.000 1.153 81 Y HN 0.238 nan 8.280 nan 0.000 0.521 82 D N 9.179 129.723 120.400 0.240 0.000 2.308 82 D HA 0.073 4.713 4.640 0.000 0.000 0.251 82 D C -1.673 174.543 176.300 -0.140 0.000 1.127 82 D CA -2.106 51.918 54.000 0.039 0.000 0.876 82 D CB 1.939 42.779 40.800 0.068 0.000 1.176 82 D HN 0.354 nan 8.370 nan 0.000 0.446 83 P HA -0.166 nan 4.420 nan 0.000 0.215 83 P C 1.022 178.257 177.300 -0.110 0.000 1.153 83 P CA 1.130 64.124 63.100 -0.177 0.000 0.853 83 P CB 0.427 32.080 31.700 -0.078 0.000 0.788 84 K N -0.444 119.927 120.400 -0.048 0.000 2.160 84 K HA -0.169 4.151 4.320 0.000 0.000 0.206 84 K C 1.804 178.405 176.600 0.003 0.000 1.047 84 K CA 1.615 57.892 56.287 -0.017 0.000 0.930 84 K CB -0.404 32.092 32.500 -0.007 0.000 0.720 84 K HN 0.194 nan 8.250 nan 0.000 0.450 85 D N 0.341 120.751 120.400 0.017 0.000 2.103 85 D HA -0.070 4.570 4.640 0.000 0.000 0.199 85 D C 1.915 178.274 176.300 0.099 0.000 0.978 85 D CA 1.096 55.153 54.000 0.096 0.000 0.829 85 D CB -0.169 40.765 40.800 0.224 0.000 0.981 85 D HN 0.149 nan 8.370 nan 0.000 0.464 86 A N 1.212 124.001 122.820 -0.051 0.000 1.948 86 A HA -0.199 4.121 4.320 0.000 0.000 0.220 86 A C 2.171 179.770 177.584 0.024 0.000 1.177 86 A CA 1.212 53.218 52.037 -0.053 0.000 0.636 86 A CB -0.744 18.048 19.000 -0.347 0.000 0.815 86 A HN 0.240 nan 8.150 nan 0.000 0.449 87 L N -0.228 121.003 121.223 0.013 0.000 1.976 87 L HA -0.152 4.188 4.340 0.000 0.000 0.209 87 L C 2.262 179.172 176.870 0.066 0.000 1.071 87 L CA 2.442 57.315 54.840 0.055 0.000 0.746 87 L CB -0.670 41.428 42.059 0.065 0.000 0.890 87 L HN 0.353 nan 8.230 nan 0.000 0.432 88 K N -0.453 119.983 120.400 0.060 0.000 2.044 88 K HA -0.237 4.083 4.320 0.000 0.000 0.210 88 K C 1.940 178.579 176.600 0.066 0.000 1.049 88 K CA 1.982 58.304 56.287 0.060 0.000 0.927 88 K CB -0.365 32.169 32.500 0.056 0.000 0.713 88 K HN 0.396 nan 8.250 nan 0.000 0.443 89 N N 0.551 119.302 118.700 0.085 0.000 2.025 89 N HA -0.174 4.566 4.740 0.000 0.000 0.194 89 N C 1.706 177.258 175.510 0.069 0.000 1.044 89 N CA 1.682 54.786 53.050 0.089 0.000 0.851 89 N CB -0.429 38.144 38.487 0.143 0.000 1.036 89 N HN 0.222 nan 8.380 nan 0.000 0.422 90 A N 0.243 123.104 122.820 0.068 0.000 1.917 90 A HA -0.214 4.106 4.320 0.000 0.000 0.219 90 A C 2.544 180.153 177.584 0.041 0.000 1.182 90 A CA 1.589 53.655 52.037 0.048 0.000 0.633 90 A CB -1.275 17.750 19.000 0.041 0.000 0.819 90 A HN 0.490 nan 8.150 nan 0.000 0.448 91 C N -0.520 118.810 119.300 0.052 0.000 2.440 91 C HA -0.140 4.320 4.460 0.000 0.000 0.282 91 C C 2.733 177.745 174.990 0.036 0.000 1.223 91 C CA 1.220 60.267 59.018 0.048 0.000 1.744 91 C CB -1.567 26.210 27.740 0.062 0.000 2.061 91 C HN 0.679 nan 8.230 nan 0.000 0.456 92 N N 0.718 119.441 118.700 0.038 0.000 2.060 92 N HA -0.166 4.574 4.740 0.000 0.000 0.195 92 N C 1.925 177.450 175.510 0.026 0.000 1.028 92 N CA 1.866 54.934 53.050 0.031 0.000 0.861 92 N CB -0.860 37.647 38.487 0.033 0.000 1.029 92 N HN 0.540 nan 8.380 nan 0.000 0.428 93 S N 0.659 116.376 115.700 0.029 0.000 2.374 93 S HA -0.084 4.386 4.470 0.000 0.000 0.227 93 S C 2.050 176.659 174.600 0.015 0.000 1.037 93 S CA 0.842 59.056 58.200 0.023 0.000 1.024 93 S CB -0.195 63.021 63.200 0.027 0.000 0.861 93 S HN 0.249 nan 8.310 nan 0.000 0.456 94 I N 0.820 121.398 120.570 0.013 0.000 2.133 94 I HA -0.141 4.029 4.170 0.000 0.000 0.238 94 I C 2.263 178.382 176.117 0.004 0.000 1.074 94 I CA 1.270 62.572 61.300 0.003 0.000 1.342 94 I CB -0.439 37.560 38.000 -0.002 0.000 1.053 94 I HN 0.309 nan 8.210 nan 0.000 0.404 95 I N 1.071 121.647 120.570 0.010 0.000 2.145 95 I HA -0.389 3.781 4.170 0.000 0.000 0.244 95 I C 2.340 178.462 176.117 0.008 0.000 1.075 95 I CA 1.531 62.837 61.300 0.009 0.000 1.332 95 I CB -0.652 37.357 38.000 0.015 0.000 1.033 95 I HN 0.369 nan 8.210 nan 0.000 0.410 96 N N 1.200 119.907 118.700 0.011 0.000 2.013 96 N HA -0.212 4.528 4.740 0.000 0.000 0.195 96 N C 1.759 177.274 175.510 0.009 0.000 1.051 96 N CA 1.453 54.510 53.050 0.011 0.000 0.851 96 N CB -0.517 37.978 38.487 0.013 0.000 1.044 96 N HN 0.300 nan 8.380 nan 0.000 0.422 97 K N 0.681 121.086 120.400 0.007 0.000 2.148 97 K HA -0.169 4.151 4.320 0.000 0.000 0.213 97 K C 2.125 178.726 176.600 0.002 0.000 1.050 97 K CA 1.256 57.546 56.287 0.004 0.000 0.932 97 K CB -0.283 32.217 32.500 -0.000 0.000 0.717 97 K HN 0.175 nan 8.250 nan 0.000 0.462 98 L N -0.900 120.322 121.223 -0.002 0.000 2.044 98 L HA -0.076 4.264 4.340 0.000 0.000 0.205 98 L C 2.579 179.450 176.870 0.001 0.000 1.075 98 L CA 1.241 56.076 54.840 -0.008 0.000 0.747 98 L CB -0.923 41.126 42.059 -0.016 0.000 0.903 98 L HN 0.380 nan 8.230 nan 0.000 0.435 99 G N 0.188 108.992 108.800 0.006 0.000 2.513 99 G HA2 -0.347 3.613 3.960 0.000 0.000 0.219 99 G HA3 -0.347 3.613 3.960 0.000 0.000 0.219 99 G C 1.757 176.671 174.900 0.023 0.000 1.160 99 G CA 1.132 46.240 45.100 0.013 0.000 0.767 99 G HN 0.479 nan 8.290 nan 0.000 0.571 100 A N 0.484 123.317 122.820 0.022 0.000 1.877 100 A HA 0.046 4.366 4.320 0.000 0.000 0.216 100 A C 2.391 180.000 177.584 0.041 0.000 1.186 100 A CA 1.520 53.575 52.037 0.029 0.000 0.620 100 A CB -0.564 18.450 19.000 0.023 0.000 0.822 100 A HN 0.381 nan 8.150 nan 0.000 0.443 101 L N -0.335 120.908 121.223 0.034 0.000 2.013 101 L HA -0.256 4.084 4.340 0.000 0.000 0.212 101 L C 2.563 179.479 176.870 0.076 0.000 1.073 101 L CA 2.671 57.537 54.840 0.045 0.000 0.753 101 L CB -0.533 41.533 42.059 0.010 0.000 0.890 101 L HN 0.591 nan 8.230 nan 0.000 0.432 102 K N -0.917 119.513 120.400 0.051 0.000 2.020 102 K HA -0.228 4.092 4.320 0.000 0.000 0.212 102 K C 1.885 178.562 176.600 0.129 0.000 1.050 102 K CA 2.402 58.733 56.287 0.073 0.000 0.929 102 K CB -0.188 32.333 32.500 0.035 0.000 0.714 102 K HN 0.323 nan 8.250 nan 0.000 0.443 103 T N 1.024 115.631 114.554 0.089 0.000 2.569 103 T HA -0.148 4.202 4.350 0.000 0.000 0.263 103 T C 1.514 176.274 174.700 0.099 0.000 1.074 103 T CA 1.943 64.092 62.100 0.081 0.000 1.176 103 T CB -0.610 68.290 68.868 0.053 0.000 0.863 103 T HN 0.363 nan 8.240 nan 0.000 0.410 104 N N 0.581 119.336 118.700 0.093 0.000 2.144 104 N HA -0.151 4.589 4.740 0.000 0.000 0.195 104 N C 1.366 176.949 175.510 0.121 0.000 1.006 104 N CA 1.338 54.443 53.050 0.092 0.000 0.880 104 N CB -0.508 38.033 38.487 0.089 0.000 1.018 104 N HN 0.377 nan 8.380 nan 0.000 0.443 105 F N 1.543 121.514 119.950 0.034 0.000 2.060 105 F HA -0.036 4.491 4.527 0.000 0.000 0.295 105 F C 2.030 177.883 175.800 0.089 0.000 1.120 105 F CA 1.327 59.355 58.000 0.047 0.000 1.205 105 F CB -0.372 38.628 39.000 0.001 0.000 0.986 105 F HN 0.042 nan 8.300 nan 0.000 0.470 106 E N -0.595 119.642 120.200 0.062 0.000 2.267 106 E HA -0.191 4.159 4.350 0.000 0.000 0.197 106 E C 2.018 178.624 176.600 0.011 0.000 0.998 106 E CA 1.578 57.983 56.400 0.009 0.000 0.830 106 E CB -0.280 29.475 29.700 0.093 0.000 0.751 106 E HN 0.445 nan 8.360 nan 0.000 0.491 107 T N 0.902 115.458 114.554 0.003 0.000 2.698 107 T HA -0.100 4.250 4.350 0.000 0.000 0.260 107 T C 1.636 176.319 174.700 -0.029 0.000 1.044 107 T CA 0.727 62.828 62.100 0.002 0.000 1.149 107 T CB -0.070 68.806 68.868 0.014 0.000 0.864 107 T HN 0.056 nan 8.240 nan 0.000 0.419 108 E N 0.392 120.558 120.200 -0.056 0.000 2.204 108 E HA -0.112 4.238 4.350 0.000 0.000 0.195 108 E C 1.773 178.318 176.600 -0.092 0.000 0.990 108 E CA 0.464 56.822 56.400 -0.069 0.000 0.821 108 E CB -0.223 29.448 29.700 -0.047 0.000 0.750 108 E HN 0.654 nan 8.360 nan 0.000 0.477 109 W N 2.027 123.082 121.300 -0.409 0.000 2.354 109 W HA -0.232 4.428 4.660 0.000 0.000 0.315 109 W C 1.467 177.867 176.519 -0.199 0.000 1.206 109 W CA 1.269 58.378 57.345 -0.393 0.000 1.290 109 W CB -0.149 29.022 29.460 -0.482 0.000 1.152 109 W HN 0.083 nan 8.180 nan 0.000 0.489 110 N N 1.175 119.801 118.700 -0.124 0.000 2.094 110 N HA -0.214 4.526 4.740 0.000 0.000 0.191 110 N C 1.700 177.083 175.510 -0.212 0.000 1.023 110 N CA 2.045 54.981 53.050 -0.190 0.000 0.857 110 N CB -1.206 37.244 38.487 -0.061 0.000 1.013 110 N HN 0.314 nan 8.380 nan 0.000 0.426 111 L N 0.522 121.653 121.223 -0.153 0.000 2.633 111 L HA -0.032 4.308 4.340 0.000 0.000 0.235 111 L C 0.233 177.003 176.870 -0.167 0.000 1.163 111 L CA 0.615 55.377 54.840 -0.130 0.000 0.859 111 L CB -0.478 41.531 42.059 -0.083 0.000 0.973 111 L HN 0.081 nan 8.230 nan 0.000 0.451 112 Q N 0.490 120.128 119.800 -0.270 0.000 2.230 112 Q HA 0.335 4.675 4.340 0.000 0.000 0.253 112 Q C -0.153 175.660 176.000 -0.312 0.000 0.919 112 Q CA -0.066 55.561 55.803 -0.293 0.000 0.908 112 Q CB 1.767 30.270 28.738 -0.391 0.000 1.245 112 Q HN -0.056 nan 8.270 nan 0.000 0.437 113 T N 3.056 117.478 114.554 -0.219 0.000 2.801 113 T HA 0.718 5.068 4.350 0.000 0.000 0.306 113 T C 0.119 174.718 174.700 -0.168 0.000 1.020 113 T CA -0.345 61.647 62.100 -0.180 0.000 0.948 113 T CB 0.021 68.819 68.868 -0.116 0.000 0.962 113 T HN 0.465 nan 8.240 nan 0.000 0.465 114 L N 0.000 121.107 121.223 -0.193 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.756 54.840 -0.139 0.000 0.813 114 L CB 0.000 41.999 42.059 -0.100 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502