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 3hme_1_B DATA FIRST_RESID 21 DATA SEQUENCE ESTPIQQLLE HFLRQLQRKD PHGFFAFPVT DAIAPGYSMI IKHPMDFGTM DATA SEQUENCE KDKIVANEYK SVTEFKADFK LMCDNAMTYN RPDTVYYKLA KKILHAGFKM DATA SEQUENCE MSKERLLALK RSMS 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 21 E HA 0.000 nan 4.350 nan 0.000 0.291 21 E C 0.000 176.597 176.600 -0.006 0.000 1.382 21 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 21 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 22 S N -0.215 115.479 115.700 -0.010 0.000 2.768 22 S HA 0.879 5.349 4.470 0.000 0.000 0.300 22 S C 0.582 175.173 174.600 -0.015 0.000 1.122 22 S CA 0.437 58.630 58.200 -0.011 0.000 0.995 22 S CB 1.650 64.841 63.200 -0.015 0.000 1.195 22 S HN 1.256 nan 8.310 nan 0.000 0.547 23 T N -0.738 113.806 114.554 -0.016 0.000 2.930 23 T HA 0.615 4.965 4.350 0.000 0.000 0.290 23 T C -2.339 172.340 174.700 -0.034 0.000 1.052 23 T CA -1.758 60.330 62.100 -0.020 0.000 1.017 23 T CB 1.097 69.958 68.868 -0.011 0.000 1.137 23 T HN 0.329 nan 8.240 nan 0.000 0.511 24 P HA -0.010 nan 4.420 nan 0.000 0.216 24 P C 1.626 178.884 177.300 -0.071 0.000 1.153 24 P CA 0.280 63.345 63.100 -0.059 0.000 0.848 24 P CB -0.080 31.588 31.700 -0.054 0.000 0.787 25 I N 0.029 120.570 120.570 -0.049 0.000 2.179 25 I HA -0.256 3.914 4.170 0.000 0.000 0.242 25 I C 2.045 178.125 176.117 -0.061 0.000 1.088 25 I CA 1.692 62.962 61.300 -0.050 0.000 1.357 25 I CB -1.199 36.795 38.000 -0.010 0.000 1.051 25 I HN -0.058 nan 8.210 nan 0.000 0.409 26 Q N -0.446 119.334 119.800 -0.033 0.000 2.135 26 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 26 Q C 2.155 178.114 176.000 -0.069 0.000 0.981 26 Q CA 1.484 57.270 55.803 -0.028 0.000 0.856 26 Q CB -0.225 28.512 28.738 -0.002 0.000 0.902 26 Q HN 0.546 nan 8.270 nan 0.000 0.425 27 Q N 0.255 120.005 119.800 -0.084 0.000 2.119 27 Q HA -0.126 4.214 4.340 0.000 0.000 0.201 27 Q C 2.126 178.029 176.000 -0.162 0.000 0.972 27 Q CA 0.895 56.636 55.803 -0.103 0.000 0.847 27 Q CB -0.332 28.346 28.738 -0.100 0.000 0.903 27 Q HN 0.304 nan 8.270 nan 0.000 0.433 28 L N 0.206 121.300 121.223 -0.214 0.000 2.056 28 L HA -0.085 4.255 4.340 0.000 0.000 0.207 28 L C 2.033 178.639 176.870 -0.439 0.000 1.078 28 L CA 1.431 56.052 54.840 -0.364 0.000 0.749 28 L CB -0.582 41.271 42.059 -0.344 0.000 0.901 28 L HN 0.130 nan 8.230 nan 0.000 0.433 29 L N -0.783 120.236 121.223 -0.341 0.000 2.141 29 L HA -0.174 4.166 4.340 0.000 0.000 0.209 29 L C 2.466 179.128 176.870 -0.347 0.000 1.094 29 L CA 1.296 55.831 54.840 -0.508 0.000 0.763 29 L CB -0.623 41.133 42.059 -0.504 0.000 0.908 29 L HN 0.359 nan 8.230 nan 0.000 0.437 30 E N -1.018 119.077 120.200 -0.175 0.000 2.106 30 E HA -0.235 4.115 4.350 0.000 0.000 0.192 30 E C 2.064 178.613 176.600 -0.086 0.000 0.984 30 E CA 0.782 57.132 56.400 -0.084 0.000 0.806 30 E CB -0.117 29.555 29.700 -0.047 0.000 0.750 30 E HN 0.506 nan 8.360 nan 0.000 0.458 31 H N 0.141 119.079 119.070 -0.221 0.000 2.270 31 H HA -0.155 4.401 4.556 0.000 0.000 0.299 31 H C 1.889 177.144 175.328 -0.122 0.000 1.077 31 H CA 1.538 57.454 56.048 -0.219 0.000 1.294 31 H CB -0.103 29.450 29.762 -0.348 0.000 1.371 31 H HN 0.095 nan 8.280 nan 0.000 0.491 32 F N 0.805 120.609 119.950 -0.243 0.000 2.065 32 F HA -0.210 4.316 4.527 -0.000 0.000 0.298 32 F C 2.805 178.489 175.800 -0.192 0.000 1.112 32 F CA 0.991 58.835 58.000 -0.259 0.000 1.212 32 F CB -1.203 37.638 39.000 -0.266 0.000 0.975 32 F HN 0.186 nan 8.300 nan 0.000 0.476 33 L N 0.251 121.534 121.223 0.100 0.000 2.012 33 L HA -0.199 4.141 4.340 0.000 0.000 0.210 33 L C 2.543 179.320 176.870 -0.155 0.000 1.073 33 L CA 1.781 56.677 54.840 0.093 0.000 0.748 33 L CB -0.678 41.475 42.059 0.156 0.000 0.891 33 L HN 0.010 nan 8.230 nan 0.000 0.431 34 R N -1.183 119.221 120.500 -0.160 0.000 2.091 34 R HA -0.170 4.170 4.340 0.000 0.000 0.238 34 R C 2.223 178.390 176.300 -0.222 0.000 1.136 34 R CA 1.513 57.497 56.100 -0.194 0.000 0.959 34 R CB -0.221 29.981 30.300 -0.163 0.000 0.856 34 R HN 0.511 nan 8.270 nan 0.000 0.437 35 Q N 0.454 120.099 119.800 -0.258 0.000 2.079 35 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 35 Q C 2.300 178.202 176.000 -0.163 0.000 0.974 35 Q CA 1.220 56.895 55.803 -0.213 0.000 0.840 35 Q CB -0.261 28.335 28.738 -0.237 0.000 0.898 35 Q HN 0.384 nan 8.270 nan 0.000 0.430 36 L N 0.571 121.674 121.223 -0.199 0.000 2.046 36 L HA -0.204 4.136 4.340 0.000 0.000 0.208 36 L C 2.521 179.234 176.870 -0.262 0.000 1.077 36 L CA 1.208 55.927 54.840 -0.201 0.000 0.747 36 L CB -0.436 41.455 42.059 -0.280 0.000 0.896 36 L HN 0.255 nan 8.230 nan 0.000 0.432 37 Q N -0.326 119.174 119.800 -0.499 0.000 2.291 37 Q HA -0.137 4.203 4.340 0.000 0.000 0.205 37 Q C 2.224 178.107 176.000 -0.194 0.000 0.970 37 Q CA 0.875 56.342 55.803 -0.561 0.000 0.876 37 Q CB 0.038 28.432 28.738 -0.573 0.000 0.935 37 Q HN 0.464 nan 8.270 nan 0.000 0.455 38 R N 0.408 120.826 120.500 -0.136 0.000 2.235 38 R HA -0.036 4.304 4.340 0.000 0.000 0.213 38 R C 1.620 177.917 176.300 -0.006 0.000 1.059 38 R CA 0.639 56.701 56.100 -0.063 0.000 0.997 38 R CB 0.138 30.401 30.300 -0.062 0.000 0.884 38 R HN 0.127 nan 8.270 nan 0.000 0.462 39 K N 0.136 120.551 120.400 0.026 0.000 2.432 39 K HA -0.074 4.246 4.320 0.000 0.000 0.196 39 K C 0.281 176.962 176.600 0.134 0.000 1.038 39 K CA 0.662 57.004 56.287 0.093 0.000 0.986 39 K CB 0.183 32.766 32.500 0.138 0.000 0.782 39 K HN -0.048 nan 8.250 nan 0.000 0.485 40 D N 0.644 121.126 120.400 0.137 0.000 2.683 40 D HA 0.089 4.729 4.640 0.000 0.000 0.309 40 D C -1.785 174.516 176.300 0.002 0.000 1.238 40 D CA -2.281 51.798 54.000 0.131 0.000 0.936 40 D CB 0.828 41.874 40.800 0.409 0.000 1.001 40 D HN -0.095 nan 8.370 nan 0.000 0.505 41 P HA -0.095 nan 4.420 nan 0.000 0.226 41 P C 0.430 177.694 177.300 -0.059 0.000 1.153 41 P CA 0.744 63.846 63.100 0.004 0.000 0.777 41 P CB 0.240 31.977 31.700 0.062 0.000 0.794 42 H N -0.678 118.137 119.070 -0.424 0.000 2.539 42 H HA 0.344 4.900 4.556 0.000 0.000 0.269 42 H C 1.534 176.651 175.328 -0.352 0.000 0.980 42 H CA 0.269 56.030 56.048 -0.478 0.000 1.152 42 H CB -0.663 28.605 29.762 -0.823 0.000 1.407 42 H HN 0.133 nan 8.280 nan 0.000 0.564 43 G N 0.598 109.312 108.800 -0.144 0.000 2.249 43 G HA2 -0.355 3.605 3.960 0.000 0.000 0.273 43 G HA3 -0.355 3.605 3.960 0.000 0.000 0.273 43 G C 0.630 175.610 174.900 0.133 0.000 1.036 43 G CA 0.531 45.668 45.100 0.062 0.000 0.824 43 G HN 0.301 nan 8.290 nan 0.000 0.504 44 F N -0.564 119.363 119.950 -0.039 0.000 2.154 44 F HA 0.067 4.594 4.527 0.000 0.000 0.301 44 F C 2.102 177.640 175.800 -0.437 0.000 1.087 44 F CA 1.145 58.960 58.000 -0.307 0.000 1.274 44 F CB -0.684 37.912 39.000 -0.672 0.000 1.009 44 F HN 0.308 nan 8.300 nan 0.000 0.485 45 F N -1.080 119.086 119.950 0.360 0.000 2.639 45 F HA 0.481 5.008 4.527 0.000 0.000 0.302 45 F C 1.761 177.644 175.800 0.139 0.000 1.097 45 F CA -0.278 57.794 58.000 0.119 0.000 1.294 45 F CB -1.123 37.783 39.000 -0.155 0.000 1.027 45 F HN -0.088 nan 8.300 nan 0.000 0.550 46 A N -0.529 122.493 122.820 0.337 0.000 2.016 46 A HA 0.189 4.509 4.320 0.000 0.000 0.217 46 A C 0.327 177.764 177.584 -0.245 0.000 1.162 46 A CA 1.141 53.278 52.037 0.167 0.000 0.662 46 A CB -0.274 18.824 19.000 0.163 0.000 0.812 46 A HN 0.200 nan 8.150 nan 0.000 0.450 47 F N -2.055 117.986 119.950 0.152 0.000 2.650 47 F HA 0.513 5.040 4.527 0.000 0.000 0.320 47 F C -2.522 173.301 175.800 0.039 0.000 1.091 47 F CA -2.573 55.481 58.000 0.090 0.000 0.962 47 F CB 0.981 40.017 39.000 0.060 0.000 1.363 47 F HN -0.257 nan 8.300 nan 0.000 0.482 48 P HA 0.092 nan 4.420 nan 0.000 0.266 48 P C -0.992 176.280 177.300 -0.046 0.000 1.193 48 P CA -0.095 63.043 63.100 0.064 0.000 0.770 48 P CB 0.411 32.152 31.700 0.068 0.000 0.836 49 V N 2.494 122.259 119.914 -0.249 0.000 2.465 49 V HA 0.271 4.391 4.120 0.000 0.000 0.279 49 V C 0.808 176.657 176.094 -0.407 0.000 1.045 49 V CA -0.250 61.758 62.300 -0.487 0.000 0.938 49 V CB 0.910 32.043 31.823 -1.150 0.000 0.986 49 V HN 0.695 nan 8.190 nan 0.000 0.467 50 T N -0.001 114.394 114.554 -0.265 0.000 2.922 50 T HA 0.251 4.601 4.350 0.000 0.000 0.285 50 T C 0.654 175.265 174.700 -0.148 0.000 1.005 50 T CA -0.698 61.309 62.100 -0.155 0.000 1.061 50 T CB 1.278 70.091 68.868 -0.091 0.000 1.007 50 T HN 0.545 nan 8.240 nan 0.000 0.502 51 D N 1.351 121.716 120.400 -0.057 0.000 2.218 51 D HA -0.032 4.608 4.640 0.000 0.000 0.204 51 D C 2.212 178.504 176.300 -0.012 0.000 0.976 51 D CA 1.400 55.394 54.000 -0.010 0.000 0.853 51 D CB -0.551 40.262 40.800 0.022 0.000 0.939 51 D HN 0.775 nan 8.370 nan 0.000 0.481 52 A N 0.153 122.956 122.820 -0.028 0.000 1.969 52 A HA -0.080 4.240 4.320 0.000 0.000 0.218 52 A C 2.185 179.754 177.584 -0.025 0.000 1.169 52 A CA 0.770 52.795 52.037 -0.021 0.000 0.635 52 A CB -0.348 18.637 19.000 -0.025 0.000 0.810 52 A HN 0.242 nan 8.150 nan 0.000 0.445 53 I N -1.731 118.807 120.570 -0.053 0.000 3.645 53 I HA 0.157 4.327 4.170 0.000 0.000 0.300 53 I C 0.891 176.986 176.117 -0.037 0.000 1.260 53 I CA 0.615 61.882 61.300 -0.054 0.000 1.365 53 I CB 0.413 38.359 38.000 -0.090 0.000 1.077 53 I HN 0.270 nan 8.210 nan 0.000 0.439 54 A N 1.868 124.668 122.820 -0.033 0.000 2.984 54 A HA 0.527 4.847 4.320 0.000 0.000 0.320 54 A C -2.693 174.977 177.584 0.144 0.000 1.142 54 A CA -1.130 50.939 52.037 0.054 0.000 0.772 54 A CB -0.106 18.749 19.000 -0.241 0.000 1.195 54 A HN -0.146 nan 8.150 nan 0.000 0.459 55 P HA 0.306 nan 4.420 nan 0.000 0.265 55 P C 1.248 178.684 177.300 0.226 0.000 1.193 55 P CA 2.063 65.253 63.100 0.150 0.000 0.765 55 P CB 0.893 32.658 31.700 0.109 0.000 0.823 56 G N 1.711 110.603 108.800 0.154 0.000 2.179 56 G HA2 -0.401 3.559 3.960 0.000 0.000 0.260 56 G HA3 -0.401 3.559 3.960 0.000 0.000 0.260 56 G C 0.932 175.913 174.900 0.135 0.000 0.977 56 G CA 0.429 45.618 45.100 0.149 0.000 0.641 56 G HN 0.526 nan 8.290 nan 0.000 0.533 57 Y N 2.582 122.850 120.300 -0.052 0.000 2.081 57 Y HA -0.190 4.360 4.550 -0.000 0.000 0.280 57 Y C 3.034 178.862 175.900 -0.121 0.000 1.163 57 Y CA 3.257 61.198 58.100 -0.265 0.000 1.135 57 Y CB -0.342 37.829 38.460 -0.481 0.000 0.970 57 Y HN 0.629 nan 8.280 nan 0.000 0.498 58 S N -0.674 115.073 115.700 0.077 0.000 2.469 58 S HA -0.218 4.252 4.470 0.000 0.000 0.238 58 S C 1.800 176.377 174.600 -0.039 0.000 0.998 58 S CA 1.488 59.700 58.200 0.020 0.000 0.957 58 S CB -0.541 62.686 63.200 0.044 0.000 0.764 58 S HN 0.591 nan 8.310 nan 0.000 0.514 59 M N -0.067 119.515 119.600 -0.031 0.000 2.486 59 M HA 0.322 4.802 4.480 0.000 0.000 0.264 59 M C 1.756 178.025 176.300 -0.051 0.000 1.125 59 M CA 0.765 56.048 55.300 -0.030 0.000 1.144 59 M CB -0.123 32.475 32.600 -0.002 0.000 1.353 59 M HN 0.316 nan 8.290 nan 0.000 0.466 60 I N -0.251 120.271 120.570 -0.080 0.000 2.585 60 I HA -0.032 4.138 4.170 0.000 0.000 0.254 60 I C 0.426 176.447 176.117 -0.161 0.000 1.129 60 I CA 0.417 61.671 61.300 -0.075 0.000 1.455 60 I CB 0.556 38.568 38.000 0.020 0.000 1.111 60 I HN 0.062 nan 8.210 nan 0.000 0.433 61 I N 1.728 122.102 120.570 -0.327 0.000 2.371 61 I HA 0.150 4.320 4.170 0.000 0.000 0.282 61 I C 0.796 176.806 176.117 -0.179 0.000 1.031 61 I CA 0.085 61.184 61.300 -0.335 0.000 1.180 61 I CB 1.081 38.619 38.000 -0.770 0.000 1.336 61 I HN 0.125 nan 8.210 nan 0.000 0.467 62 K N 3.891 124.243 120.400 -0.081 0.000 2.379 62 K HA 0.126 4.446 4.320 0.000 0.000 0.194 62 K C 0.159 176.593 176.600 -0.276 0.000 1.031 62 K CA 0.552 56.758 56.287 -0.136 0.000 1.037 62 K CB 0.427 32.861 32.500 -0.111 0.000 0.824 62 K HN 0.501 nan 8.250 nan 0.000 0.516 63 H N 1.522 120.565 119.070 -0.045 0.000 2.340 63 H HA 0.204 4.760 4.556 0.000 0.000 0.233 63 H C -2.503 172.818 175.328 -0.012 0.000 1.435 63 H CA -1.936 54.098 56.048 -0.024 0.000 1.389 63 H CB 0.679 30.423 29.762 -0.030 0.000 1.491 63 H HN 0.074 nan 8.280 nan 0.000 0.518 64 P HA 0.109 nan 4.420 nan 0.000 0.272 64 P C -0.019 177.331 177.300 0.082 0.000 1.223 64 P CA -0.315 62.852 63.100 0.111 0.000 0.784 64 P CB 1.427 33.212 31.700 0.143 0.000 0.923 65 M N 1.743 121.381 119.600 0.063 0.000 2.603 65 M HA 0.432 4.912 4.480 0.000 0.000 0.275 65 M C -2.259 174.037 176.300 -0.007 0.000 1.226 65 M CA -0.354 54.961 55.300 0.026 0.000 0.870 65 M CB 2.263 34.861 32.600 -0.002 0.000 1.716 65 M HN 0.571 nan 8.290 nan 0.000 0.482 66 D N 1.089 121.479 120.400 -0.016 0.000 2.653 66 D HA 0.230 4.870 4.640 0.000 0.000 0.258 66 D C -0.379 175.921 176.300 0.001 0.000 1.252 66 D CA -0.433 53.541 54.000 -0.042 0.000 0.777 66 D CB 0.437 41.257 40.800 0.034 0.000 1.339 66 D HN 0.460 nan 8.370 nan 0.000 0.422 67 F N 0.978 120.964 119.950 0.060 0.000 2.171 67 F HA 0.069 4.596 4.527 -0.000 0.000 0.300 67 F C 2.666 178.442 175.800 -0.039 0.000 1.090 67 F CA 1.758 59.777 58.000 0.032 0.000 1.293 67 F CB -0.736 38.287 39.000 0.038 0.000 1.013 67 F HN 0.666 nan 8.300 nan 0.000 0.486 68 G N -1.044 107.761 108.800 0.008 0.000 2.418 68 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 68 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 68 G C 1.764 176.677 174.900 0.021 0.000 1.158 68 G CA 1.478 46.499 45.100 -0.132 0.000 0.771 68 G HN 0.310 nan 8.290 nan 0.000 0.545 69 T N 1.322 115.909 114.554 0.056 0.000 2.788 69 T HA -0.071 4.279 4.350 0.000 0.000 0.268 69 T C 2.528 177.310 174.700 0.135 0.000 1.044 69 T CA 1.392 63.542 62.100 0.084 0.000 1.139 69 T CB -0.193 68.721 68.868 0.077 0.000 0.867 69 T HN 0.237 nan 8.240 nan 0.000 0.454 70 M N 0.499 120.223 119.600 0.206 0.000 2.254 70 M HA 0.013 4.493 4.480 0.000 0.000 0.265 70 M C 2.324 178.855 176.300 0.386 0.000 1.066 70 M CA 1.142 56.661 55.300 0.365 0.000 1.123 70 M CB -0.253 32.559 32.600 0.354 0.000 1.388 70 M HN -0.003 nan 8.290 nan 0.000 0.425 71 K N 1.198 121.750 120.400 0.254 0.000 2.032 71 K HA -0.172 4.148 4.320 0.000 0.000 0.209 71 K C 1.302 177.985 176.600 0.139 0.000 1.048 71 K CA 1.867 58.264 56.287 0.182 0.000 0.927 71 K CB -0.360 32.199 32.500 0.097 0.000 0.712 71 K HN 0.212 nan 8.250 nan 0.000 0.441 72 D N 0.280 120.742 120.400 0.102 0.000 2.144 72 D HA -0.116 4.524 4.640 0.000 0.000 0.199 72 D C 1.653 177.974 176.300 0.036 0.000 0.984 72 D CA 1.083 55.121 54.000 0.063 0.000 0.834 72 D CB -0.023 40.808 40.800 0.052 0.000 0.955 72 D HN 0.316 nan 8.370 nan 0.000 0.465 73 K N 0.224 120.638 120.400 0.023 0.000 2.097 73 K HA -0.018 4.302 4.320 0.000 0.000 0.205 73 K C 2.273 178.819 176.600 -0.089 0.000 1.050 73 K CA 0.510 56.709 56.287 -0.148 0.000 0.938 73 K CB 0.054 32.292 32.500 -0.436 0.000 0.718 73 K HN 0.162 nan 8.250 nan 0.000 0.442 74 I N 0.589 121.258 120.570 0.166 0.000 2.142 74 I HA -0.277 3.893 4.170 0.000 0.000 0.240 74 I C 2.162 178.333 176.117 0.089 0.000 1.078 74 I CA 1.086 62.514 61.300 0.214 0.000 1.343 74 I CB -0.365 37.778 38.000 0.239 0.000 1.046 74 I HN -0.087 nan 8.210 nan 0.000 0.405 75 V N 1.171 121.126 119.914 0.069 0.000 2.453 75 V HA -0.289 3.831 4.120 0.000 0.000 0.252 75 V C 2.323 178.429 176.094 0.021 0.000 1.068 75 V CA 1.978 64.302 62.300 0.040 0.000 1.070 75 V CB -0.967 30.880 31.823 0.039 0.000 0.664 75 V HN 0.544 nan 8.190 nan 0.000 0.461 76 A N -0.812 122.011 122.820 0.005 0.000 2.278 76 A HA 0.095 4.415 4.320 0.000 0.000 0.212 76 A C 1.201 178.775 177.584 -0.017 0.000 1.213 76 A CA 0.372 52.403 52.037 -0.011 0.000 0.840 76 A CB -0.552 18.432 19.000 -0.027 0.000 0.866 76 A HN 0.558 nan 8.150 nan 0.000 0.489 77 N N 0.082 118.780 118.700 -0.004 0.000 2.727 77 N HA -0.159 4.581 4.740 0.000 0.000 0.249 77 N C 0.413 175.910 175.510 -0.021 0.000 1.048 77 N CA 1.168 54.223 53.050 0.008 0.000 0.714 77 N CB -1.139 37.355 38.487 0.013 0.000 0.959 77 N HN 0.765 nan 8.380 nan 0.000 0.544 78 E N -1.210 118.929 120.200 -0.102 0.000 2.478 78 E HA -0.040 4.310 4.350 0.000 0.000 0.194 78 E C -0.382 176.097 176.600 -0.202 0.000 1.045 78 E CA 0.326 56.621 56.400 -0.175 0.000 0.868 78 E CB 0.175 29.712 29.700 -0.270 0.000 0.885 78 E HN 0.387 nan 8.360 nan 0.000 0.505 79 Y N 0.194 120.540 120.300 0.077 0.000 2.341 79 Y HA 0.236 4.786 4.550 0.000 0.000 0.340 79 Y C 1.265 177.201 175.900 0.060 0.000 0.997 79 Y CA -0.336 57.819 58.100 0.091 0.000 1.149 79 Y CB 1.067 39.610 38.460 0.138 0.000 1.171 79 Y HN -0.183 nan 8.280 nan 0.000 0.494 80 K N 1.108 121.631 120.400 0.205 0.000 2.361 80 K HA 0.327 4.647 4.320 0.000 0.000 0.196 80 K C 0.531 177.202 176.600 0.118 0.000 1.039 80 K CA 1.136 57.498 56.287 0.125 0.000 1.001 80 K CB -0.011 32.542 32.500 0.090 0.000 0.795 80 K HN 0.679 nan 8.250 nan 0.000 0.495 81 S N -2.345 113.446 115.700 0.151 0.000 2.596 81 S HA 0.422 4.892 4.470 0.000 0.000 0.270 81 S C 0.712 175.369 174.600 0.095 0.000 1.155 81 S CA -0.049 58.212 58.200 0.102 0.000 0.827 81 S CB 1.637 64.888 63.200 0.085 0.000 1.130 81 S HN 0.039 nan 8.310 nan 0.000 0.467 82 V N 1.496 121.446 119.914 0.060 0.000 2.667 82 V HA -0.096 4.024 4.120 0.000 0.000 0.252 82 V C 2.595 178.716 176.094 0.046 0.000 1.065 82 V CA 2.380 64.710 62.300 0.050 0.000 1.083 82 V CB -1.276 30.577 31.823 0.051 0.000 0.692 82 V HN 1.028 nan 8.190 nan 0.000 0.468 83 T N -0.254 114.324 114.554 0.040 0.000 2.833 83 T HA -0.202 4.148 4.350 0.000 0.000 0.269 83 T C 1.789 176.525 174.700 0.061 0.000 1.054 83 T CA 1.620 63.741 62.100 0.034 0.000 1.135 83 T CB -0.153 68.741 68.868 0.043 0.000 0.869 83 T HN 0.612 nan 8.240 nan 0.000 0.466 84 E N -0.027 120.236 120.200 0.106 0.000 2.072 84 E HA -0.030 4.320 4.350 0.000 0.000 0.190 84 E C 1.845 178.513 176.600 0.113 0.000 0.982 84 E CA 0.640 57.141 56.400 0.168 0.000 0.803 84 E CB -0.226 29.648 29.700 0.290 0.000 0.755 84 E HN 0.450 nan 8.360 nan 0.000 0.453 85 F N 2.389 122.176 119.950 -0.272 0.000 2.091 85 F HA -0.231 4.296 4.527 0.000 0.000 0.299 85 F C 1.942 177.609 175.800 -0.222 0.000 1.103 85 F CA 1.677 59.325 58.000 -0.587 0.000 1.228 85 F CB 0.065 38.690 39.000 -0.625 0.000 0.984 85 F HN -0.195 nan 8.300 nan 0.000 0.477 86 K N -0.122 120.208 120.400 -0.117 0.000 2.148 86 K HA -0.078 4.242 4.320 0.000 0.000 0.204 86 K C 2.233 178.836 176.600 0.006 0.000 1.050 86 K CA 1.061 57.242 56.287 -0.175 0.000 0.942 86 K CB -0.449 31.872 32.500 -0.299 0.000 0.724 86 K HN 0.351 nan 8.250 nan 0.000 0.446 87 A N 1.488 124.325 122.820 0.028 0.000 1.968 87 A HA -0.150 4.170 4.320 0.000 0.000 0.217 87 A C 1.421 179.012 177.584 0.012 0.000 1.169 87 A CA 1.543 53.616 52.037 0.061 0.000 0.638 87 A CB -0.188 18.848 19.000 0.060 0.000 0.812 87 A HN 0.125 nan 8.150 nan 0.000 0.446 88 D N -1.118 119.274 120.400 -0.013 0.000 2.149 88 D HA -0.077 4.563 4.640 0.000 0.000 0.201 88 D C 1.527 177.777 176.300 -0.082 0.000 0.972 88 D CA 0.943 54.931 54.000 -0.020 0.000 0.835 88 D CB -0.361 40.470 40.800 0.052 0.000 0.966 88 D HN 0.431 nan 8.370 nan 0.000 0.476 89 F N 1.913 121.685 119.950 -0.297 0.000 2.146 89 F HA -0.089 4.438 4.527 0.000 0.000 0.298 89 F C 2.086 177.800 175.800 -0.143 0.000 1.096 89 F CA 1.311 59.146 58.000 -0.275 0.000 1.275 89 F CB -0.112 38.686 39.000 -0.337 0.000 1.008 89 F HN -0.214 nan 8.300 nan 0.000 0.480 90 K N 0.160 120.465 120.400 -0.157 0.000 2.063 90 K HA -0.220 4.100 4.320 0.000 0.000 0.208 90 K C 2.175 178.583 176.600 -0.320 0.000 1.048 90 K CA 1.720 57.859 56.287 -0.248 0.000 0.928 90 K CB -0.583 31.904 32.500 -0.020 0.000 0.713 90 K HN 0.367 nan 8.250 nan 0.000 0.442 91 L N 1.524 122.619 121.223 -0.213 0.000 1.989 91 L HA -0.183 4.157 4.340 0.000 0.000 0.211 91 L C 2.376 179.111 176.870 -0.225 0.000 1.071 91 L CA 1.885 56.616 54.840 -0.181 0.000 0.749 91 L CB -0.552 41.447 42.059 -0.100 0.000 0.890 91 L HN 0.346 nan 8.230 nan 0.000 0.431 92 M N -1.399 118.034 119.600 -0.279 0.000 2.082 92 M HA -0.316 4.164 4.480 0.000 0.000 0.258 92 M C 2.317 178.333 176.300 -0.473 0.000 1.069 92 M CA 2.579 57.675 55.300 -0.340 0.000 1.102 92 M CB -0.308 32.032 32.600 -0.434 0.000 1.336 92 M HN 0.509 nan 8.290 nan 0.000 0.404 93 C N 0.518 119.437 119.300 -0.636 0.000 2.446 93 C HA -0.109 4.351 4.460 0.000 0.000 0.277 93 C C 2.146 176.876 174.990 -0.434 0.000 1.275 93 C CA 0.739 59.364 59.018 -0.655 0.000 1.727 93 C CB -1.309 25.973 27.740 -0.765 0.000 2.010 93 C HN 0.578 nan 8.230 nan 0.000 0.486 94 D N 1.190 121.374 120.400 -0.359 0.000 2.144 94 D HA -0.095 4.545 4.640 0.000 0.000 0.199 94 D C 1.884 178.085 176.300 -0.164 0.000 0.984 94 D CA 1.107 54.956 54.000 -0.252 0.000 0.834 94 D CB -0.524 40.147 40.800 -0.216 0.000 0.955 94 D HN 0.468 nan 8.370 nan 0.000 0.465 95 N N 0.778 119.391 118.700 -0.144 0.000 2.106 95 N HA -0.093 4.647 4.740 0.000 0.000 0.188 95 N C 1.799 177.326 175.510 0.029 0.000 1.029 95 N CA 1.321 54.338 53.050 -0.054 0.000 0.848 95 N CB -0.517 37.962 38.487 -0.014 0.000 1.007 95 N HN 0.115 nan 8.380 nan 0.000 0.423 96 A N 1.028 123.842 122.820 -0.009 0.000 1.940 96 A HA -0.093 4.227 4.320 0.000 0.000 0.219 96 A C 2.144 179.797 177.584 0.115 0.000 1.176 96 A CA 1.386 53.493 52.037 0.118 0.000 0.631 96 A CB -0.476 18.536 19.000 0.019 0.000 0.814 96 A HN 0.251 nan 8.150 nan 0.000 0.446 97 M N -1.289 118.273 119.600 -0.064 0.000 2.558 97 M HA -0.016 4.464 4.480 0.000 0.000 0.255 97 M C 1.745 178.114 176.300 0.115 0.000 1.113 97 M CA 1.085 56.316 55.300 -0.115 0.000 1.097 97 M CB -0.034 32.294 32.600 -0.454 0.000 1.426 97 M HN 0.366 nan 8.290 nan 0.000 0.488 98 T N -0.901 113.697 114.554 0.073 0.000 2.901 98 T HA -0.084 4.266 4.350 0.000 0.000 0.252 98 T C 1.497 176.265 174.700 0.114 0.000 1.035 98 T CA 0.914 63.061 62.100 0.077 0.000 1.142 98 T CB -0.184 68.695 68.868 0.018 0.000 0.869 98 T HN 0.385 nan 8.240 nan 0.000 0.442 99 Y N 2.174 122.491 120.300 0.028 0.000 2.243 99 Y HA 0.198 4.748 4.550 -0.000 0.000 0.293 99 Y C 0.661 176.618 175.900 0.095 0.000 1.124 99 Y CA 0.357 58.477 58.100 0.033 0.000 1.159 99 Y CB 0.032 38.510 38.460 0.030 0.000 1.008 99 Y HN 0.044 nan 8.280 nan 0.000 0.527 100 N N 2.096 120.925 118.700 0.216 0.000 2.518 100 N HA 0.146 4.887 4.740 0.000 0.000 0.283 100 N C -0.697 174.890 175.510 0.128 0.000 1.119 100 N CA -0.241 52.901 53.050 0.153 0.000 0.983 100 N CB 0.811 39.500 38.487 0.335 0.000 1.139 100 N HN 0.279 nan 8.380 nan 0.000 0.465 101 R N 1.615 122.114 120.500 -0.002 0.000 2.641 101 R HA 0.124 4.464 4.340 0.000 0.000 0.269 101 R C -1.409 174.751 176.300 -0.233 0.000 1.074 101 R CA -1.286 54.753 56.100 -0.103 0.000 1.133 101 R CB 0.148 30.383 30.300 -0.108 0.000 1.029 101 R HN 0.339 nan 8.270 nan 0.000 0.488 102 P HA -0.145 nan 4.420 nan 0.000 0.222 102 P C 0.123 177.143 177.300 -0.467 0.000 1.147 102 P CA 1.195 63.658 63.100 -1.061 0.000 0.790 102 P CB 0.114 31.336 31.700 -0.797 0.000 0.780 103 D N -1.983 118.284 120.400 -0.221 0.000 2.328 103 D HA -0.029 4.611 4.640 0.000 0.000 0.221 103 D C 0.308 176.591 176.300 -0.029 0.000 1.072 103 D CA 0.208 54.150 54.000 -0.097 0.000 0.850 103 D CB -1.216 39.537 40.800 -0.077 0.000 0.922 103 D HN 0.127 nan 8.370 nan 0.000 0.516 104 T N -2.721 111.842 114.554 0.014 0.000 2.882 104 T HA 0.257 4.607 4.350 0.000 0.000 0.287 104 T C 1.559 176.281 174.700 0.037 0.000 1.014 104 T CA -0.711 61.427 62.100 0.063 0.000 1.049 104 T CB 1.905 70.894 68.868 0.202 0.000 1.001 104 T HN -0.170 nan 8.240 nan 0.000 0.525 105 V N 1.429 121.250 119.914 -0.155 0.000 2.594 105 V HA -0.127 3.993 4.120 0.000 0.000 0.253 105 V C 1.955 177.917 176.094 -0.220 0.000 1.069 105 V CA 1.533 63.674 62.300 -0.265 0.000 1.082 105 V CB -1.239 30.254 31.823 -0.550 0.000 0.680 105 V HN 0.902 nan 8.190 nan 0.000 0.469 106 Y N -1.658 118.635 120.300 -0.012 0.000 2.243 106 Y HA -0.154 4.396 4.550 -0.000 0.000 0.293 106 Y C 2.342 178.435 175.900 0.320 0.000 1.124 106 Y CA 1.591 59.752 58.100 0.102 0.000 1.159 106 Y CB -0.808 37.678 38.460 0.043 0.000 1.008 106 Y HN 0.253 nan 8.280 nan 0.000 0.527 107 Y N 1.335 121.803 120.300 0.280 0.000 2.128 107 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 107 Y C 2.159 178.151 175.900 0.153 0.000 1.154 107 Y CA 1.824 60.036 58.100 0.186 0.000 1.149 107 Y CB -0.174 38.355 38.460 0.114 0.000 0.976 107 Y HN -0.053 nan 8.280 nan 0.000 0.505 108 K N -0.492 120.141 120.400 0.387 0.000 2.097 108 K HA -0.149 4.171 4.320 0.000 0.000 0.205 108 K C 1.897 178.613 176.600 0.194 0.000 1.050 108 K CA 1.278 57.735 56.287 0.283 0.000 0.938 108 K CB -0.326 32.299 32.500 0.210 0.000 0.718 108 K HN 0.278 nan 8.250 nan 0.000 0.442 109 L N 1.106 122.475 121.223 0.244 0.000 2.056 109 L HA -0.074 4.266 4.340 0.000 0.000 0.207 109 L C 2.172 179.212 176.870 0.283 0.000 1.078 109 L CA 1.617 56.641 54.840 0.307 0.000 0.749 109 L CB -0.611 41.716 42.059 0.447 0.000 0.901 109 L HN 0.092 nan 8.230 nan 0.000 0.433 110 A N -0.642 122.307 122.820 0.215 0.000 1.902 110 A HA -0.261 4.059 4.320 0.000 0.000 0.217 110 A C 2.444 179.925 177.584 -0.171 0.000 1.181 110 A CA 1.933 53.892 52.037 -0.131 0.000 0.623 110 A CB -0.597 18.220 19.000 -0.304 0.000 0.818 110 A HN 0.483 nan 8.150 nan 0.000 0.443 111 K N -0.117 120.192 120.400 -0.151 0.000 2.009 111 K HA -0.217 4.103 4.320 0.000 0.000 0.210 111 K C 2.222 178.880 176.600 0.095 0.000 1.049 111 K CA 1.973 58.213 56.287 -0.079 0.000 0.929 111 K CB -0.196 32.274 32.500 -0.051 0.000 0.714 111 K HN 0.460 nan 8.250 nan 0.000 0.440 112 K N 1.045 121.517 120.400 0.121 0.000 2.057 112 K HA -0.127 4.193 4.320 0.000 0.000 0.206 112 K C 2.198 178.908 176.600 0.183 0.000 1.050 112 K CA 1.646 58.029 56.287 0.160 0.000 0.935 112 K CB -0.208 32.379 32.500 0.146 0.000 0.715 112 K HN 0.410 nan 8.250 nan 0.000 0.439 113 I N -1.061 119.621 120.570 0.186 0.000 2.500 113 I HA -0.111 4.059 4.170 0.000 0.000 0.252 113 I C 2.085 178.407 176.117 0.341 0.000 1.142 113 I CA 0.595 62.061 61.300 0.277 0.000 1.451 113 I CB -0.292 37.931 38.000 0.371 0.000 1.093 113 I HN 0.060 nan 8.210 nan 0.000 0.430 114 L N 1.668 122.931 121.223 0.067 0.000 2.013 114 L HA -0.258 4.082 4.340 0.000 0.000 0.212 114 L C 2.671 179.571 176.870 0.050 0.000 1.073 114 L CA 2.109 56.892 54.840 -0.095 0.000 0.753 114 L CB -1.142 40.624 42.059 -0.489 0.000 0.890 114 L HN 0.320 nan 8.230 nan 0.000 0.432 115 H N -1.012 118.131 119.070 0.121 0.000 2.403 115 H HA 0.138 4.694 4.556 -0.000 0.000 0.298 115 H C 2.118 177.546 175.328 0.168 0.000 1.059 115 H CA 1.086 57.202 56.048 0.113 0.000 1.363 115 H CB -0.157 29.630 29.762 0.042 0.000 1.410 115 H HN 0.520 nan 8.280 nan 0.000 0.528 116 A N 0.935 123.913 122.820 0.264 0.000 1.858 116 A HA -0.094 4.226 4.320 0.000 0.000 0.216 116 A C 2.799 180.482 177.584 0.164 0.000 1.190 116 A CA 1.632 53.783 52.037 0.190 0.000 0.617 116 A CB -1.206 17.892 19.000 0.164 0.000 0.827 116 A HN 0.440 nan 8.150 nan 0.000 0.443 117 G N -1.421 107.513 108.800 0.223 0.000 2.440 117 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 117 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 117 G C 1.402 176.317 174.900 0.025 0.000 1.154 117 G CA 1.096 46.234 45.100 0.063 0.000 0.767 117 G HN 0.446 nan 8.290 nan 0.000 0.552 118 F N 0.826 120.825 119.950 0.081 0.000 2.365 118 F HA 0.115 4.642 4.527 0.000 0.000 0.300 118 F C 2.718 178.521 175.800 0.005 0.000 1.090 118 F CA 1.044 59.058 58.000 0.024 0.000 1.408 118 F CB 0.201 39.215 39.000 0.022 0.000 1.060 118 F HN 0.070 nan 8.300 nan 0.000 0.534 119 K N -0.260 120.235 120.400 0.159 0.000 2.044 119 K HA -0.151 4.169 4.320 0.000 0.000 0.204 119 K C 2.113 178.725 176.600 0.020 0.000 1.049 119 K CA 1.194 57.538 56.287 0.094 0.000 0.945 119 K CB -0.242 32.323 32.500 0.108 0.000 0.724 119 K HN 0.210 nan 8.250 nan 0.000 0.440 120 M N 0.354 119.947 119.600 -0.012 0.000 2.106 120 M HA -0.171 4.309 4.480 0.000 0.000 0.259 120 M C 1.070 177.276 176.300 -0.157 0.000 1.068 120 M CA 1.704 56.974 55.300 -0.051 0.000 1.100 120 M CB 0.120 32.669 32.600 -0.084 0.000 1.351 120 M HN 0.103 nan 8.290 nan 0.000 0.404 121 M N 0.537 119.949 119.600 -0.313 0.000 2.771 121 M HA 0.153 4.633 4.480 0.000 0.000 0.341 121 M C 0.357 176.500 176.300 -0.262 0.000 1.226 121 M CA -0.516 54.508 55.300 -0.460 0.000 0.955 121 M CB 0.139 32.272 32.600 -0.777 0.000 1.318 121 M HN 0.155 nan 8.290 nan 0.000 0.514 122 S N 0.084 115.719 115.700 -0.110 0.000 2.573 122 S HA 0.296 4.766 4.470 0.000 0.000 0.277 122 S C 1.554 176.142 174.600 -0.020 0.000 1.346 122 S CA 0.244 58.427 58.200 -0.028 0.000 1.034 122 S CB 1.131 64.346 63.200 0.024 0.000 0.879 122 S HN 0.505 nan 8.310 nan 0.000 0.528 123 K N 1.188 121.593 120.400 0.007 0.000 2.077 123 K HA -0.185 4.135 4.320 0.000 0.000 0.213 123 K C 2.297 178.908 176.600 0.018 0.000 1.051 123 K CA 2.433 58.729 56.287 0.015 0.000 0.929 123 K CB -1.842 30.676 32.500 0.030 0.000 0.715 123 K HN 0.752 nan 8.250 nan 0.000 0.451 124 E N -0.017 120.197 120.200 0.023 0.000 2.072 124 E HA -0.101 4.249 4.350 0.000 0.000 0.191 124 E C 2.367 178.982 176.600 0.025 0.000 0.985 124 E CA 1.201 57.616 56.400 0.024 0.000 0.801 124 E CB -0.256 29.460 29.700 0.027 0.000 0.750 124 E HN 0.731 nan 8.360 nan 0.000 0.452 125 R N -0.631 119.885 120.500 0.028 0.000 2.189 125 R HA 0.112 4.453 4.340 0.000 0.000 0.218 125 R C 2.560 178.891 176.300 0.052 0.000 1.074 125 R CA 1.060 57.185 56.100 0.041 0.000 0.991 125 R CB -0.234 30.097 30.300 0.052 0.000 0.883 125 R HN 0.322 nan 8.270 nan 0.000 0.457 126 L N 0.194 121.443 121.223 0.042 0.000 2.270 126 L HA -0.046 4.294 4.340 0.000 0.000 0.210 126 L C 2.044 178.934 176.870 0.033 0.000 1.104 126 L CA 0.558 55.429 54.840 0.052 0.000 0.804 126 L CB -0.079 42.004 42.059 0.041 0.000 0.937 126 L HN 0.138 nan 8.230 nan 0.000 0.450 127 L N -0.551 120.687 121.223 0.025 0.000 2.056 127 L HA -0.172 4.168 4.340 0.000 0.000 0.207 127 L C 2.841 179.721 176.870 0.016 0.000 1.078 127 L CA 1.149 56.000 54.840 0.018 0.000 0.749 127 L CB -0.672 41.397 42.059 0.017 0.000 0.901 127 L HN 0.247 nan 8.230 nan 0.000 0.433 128 A N -0.036 122.795 122.820 0.019 0.000 1.902 128 A HA -0.225 4.095 4.320 0.000 0.000 0.217 128 A C 2.197 179.785 177.584 0.007 0.000 1.181 128 A CA 1.671 53.715 52.037 0.013 0.000 0.623 128 A CB -0.692 18.318 19.000 0.017 0.000 0.818 128 A HN 0.317 nan 8.150 nan 0.000 0.443 129 L N -0.246 120.985 121.223 0.014 0.000 2.046 129 L HA -0.102 4.238 4.340 0.000 0.000 0.208 129 L C 2.146 179.011 176.870 -0.008 0.000 1.077 129 L CA 2.228 57.068 54.840 -0.001 0.000 0.747 129 L CB -0.575 41.493 42.059 0.015 0.000 0.896 129 L HN 0.340 nan 8.230 nan 0.000 0.432 130 K N -0.925 119.476 120.400 0.002 0.000 2.097 130 K HA -0.155 4.165 4.320 0.000 0.000 0.206 130 K C 2.226 178.823 176.600 -0.004 0.000 1.049 130 K CA 1.481 57.768 56.287 -0.000 0.000 0.933 130 K CB -0.151 32.353 32.500 0.007 0.000 0.717 130 K HN 0.291 nan 8.250 nan 0.000 0.442 131 R N 0.363 120.862 120.500 -0.002 0.000 2.080 131 R HA -0.135 4.205 4.340 0.000 0.000 0.236 131 R C 2.590 178.884 176.300 -0.011 0.000 1.137 131 R CA 2.026 58.124 56.100 -0.005 0.000 0.943 131 R CB -0.451 29.848 30.300 -0.002 0.000 0.846 131 R HN 0.295 nan 8.270 nan 0.000 0.431 132 S N 0.228 115.919 115.700 -0.015 0.000 2.419 132 S HA -0.174 4.296 4.470 0.000 0.000 0.233 132 S C 2.373 176.956 174.600 -0.028 0.000 1.016 132 S CA 1.496 59.682 58.200 -0.023 0.000 0.974 132 S CB -0.512 62.670 63.200 -0.030 0.000 0.786 132 S HN 0.351 nan 8.310 nan 0.000 0.492 133 M N 0.874 120.457 119.600 -0.028 0.000 2.686 133 M HA 0.389 4.869 4.480 0.000 0.000 0.246 133 M C 0.974 177.261 176.300 -0.021 0.000 1.096 133 M CA 0.736 56.019 55.300 -0.029 0.000 1.076 133 M CB -1.860 30.722 32.600 -0.029 0.000 1.504 133 M HN 0.561 nan 8.290 nan 0.000 0.524 134 S N 0.000 115.690 115.700 -0.017 0.000 2.498 134 S HA 0.000 4.470 4.470 0.000 0.000 0.327 134 S CA 0.000 58.192 58.200 -0.014 0.000 1.107 134 S CB 0.000 63.191 63.200 -0.016 0.000 0.593 134 S HN 0.000 nan 8.310 nan 0.000 0.517