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 3fq3_1_C DATA FIRST_RESID 2 DATA SEQUENCE NIDAISIGSN PPEDVNVIIE VPVGGQPIKY EMDKKAGALI VDRFLYTPMT DATA SEQUENCE YPGNYGFVPH TLSEDGDPID VLVCNTRPLI PGCVINVRPI GVLVMEDNSG DATA SEQUENCE KDEKIIAVPS PHLTRRYEKI HDYTDMPEIT LKQIAHFFEH YKDLEPGKWV DATA SEQUENCE KIGDWGDEDY ARKFIVEAIE RAK 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.537 175.510 0.046 0.000 1.280 2 N CA 0.000 53.070 53.050 0.034 0.000 0.885 2 N CB 0.000 38.505 38.487 0.030 0.000 1.341 3 I N 1.176 121.779 120.570 0.056 0.000 2.454 3 I HA -0.163 3.999 4.170 -0.014 0.000 0.254 3 I C 2.247 178.437 176.117 0.122 0.000 1.156 3 I CA 1.992 63.327 61.300 0.058 0.000 1.433 3 I CB -0.335 37.709 38.000 0.072 0.000 1.082 3 I HN 0.735 nan 8.210 nan 0.000 0.432 4 D N 0.908 121.403 120.400 0.159 0.000 2.221 4 D HA -0.066 4.565 4.640 -0.014 0.000 0.204 4 D C 2.147 178.545 176.300 0.163 0.000 0.982 4 D CA 1.298 55.433 54.000 0.225 0.000 0.857 4 D CB -0.357 40.511 40.800 0.113 0.000 0.934 4 D HN 0.509 nan 8.370 nan 0.000 0.475 5 A N -0.632 122.251 122.820 0.105 0.000 2.208 5 A HA 0.400 4.711 4.320 -0.014 0.000 0.209 5 A C 1.063 178.697 177.584 0.083 0.000 1.161 5 A CA -0.080 51.998 52.037 0.068 0.000 0.782 5 A CB -0.099 18.922 19.000 0.036 0.000 0.816 5 A HN 0.550 nan 8.150 nan 0.000 0.477 6 I N 2.012 122.657 120.570 0.124 0.000 2.352 6 I HA 0.118 4.279 4.170 -0.014 0.000 0.290 6 I C 0.823 177.041 176.117 0.167 0.000 1.036 6 I CA -0.381 60.968 61.300 0.082 0.000 1.336 6 I CB 1.343 39.339 38.000 -0.007 0.000 1.407 6 I HN 0.305 nan 8.210 nan 0.000 0.497 7 S N 6.012 121.768 115.700 0.094 0.000 2.593 7 S HA 0.270 4.731 4.470 -0.014 0.000 0.269 7 S C 1.149 175.818 174.600 0.114 0.000 1.334 7 S CA -0.584 57.679 58.200 0.105 0.000 1.015 7 S CB 1.039 64.263 63.200 0.040 0.000 0.912 7 S HN 0.553 nan 8.310 nan 0.000 0.541 8 I N 1.819 122.477 120.570 0.147 0.000 2.335 8 I HA 0.119 4.280 4.170 -0.014 0.000 0.251 8 I C 1.526 177.662 176.117 0.030 0.000 1.129 8 I CA 1.319 62.671 61.300 0.088 0.000 1.402 8 I CB -0.875 37.176 38.000 0.085 0.000 1.069 8 I HN 0.963 nan 8.210 nan 0.000 0.424 9 G N -1.569 107.247 108.800 0.027 0.000 2.313 9 G HA2 0.155 4.106 3.960 -0.014 0.000 0.296 9 G HA3 0.155 4.106 3.960 -0.014 0.000 0.296 9 G C -0.039 174.866 174.900 0.008 0.000 1.356 9 G CA -0.028 45.081 45.100 0.015 0.000 0.833 9 G HN -0.134 nan 8.290 nan 0.000 0.552 10 S N -0.125 115.576 115.700 0.002 0.000 2.348 10 S HA 0.072 4.533 4.470 -0.014 0.000 0.219 10 S C 0.878 175.474 174.600 -0.008 0.000 1.033 10 S CA 0.856 59.049 58.200 -0.012 0.000 0.974 10 S CB -0.066 63.115 63.200 -0.032 0.000 0.868 10 S HN 0.532 nan 8.310 nan 0.000 0.459 11 N N 1.609 120.309 118.700 -0.000 0.000 2.723 11 N HA 0.275 5.007 4.740 -0.014 0.000 0.290 11 N C -3.194 172.323 175.510 0.012 0.000 1.882 11 N CA -0.948 52.104 53.050 0.004 0.000 0.851 11 N CB 1.305 39.794 38.487 0.003 0.000 1.234 11 N HN 0.243 nan 8.380 nan 0.000 0.491 12 P HA 0.137 nan 4.420 nan 0.000 0.268 12 P C -1.808 175.501 177.300 0.014 0.000 1.205 12 P CA -0.651 62.459 63.100 0.015 0.000 0.771 12 P CB 0.589 32.298 31.700 0.013 0.000 0.858 13 P HA 0.115 nan 4.420 nan 0.000 0.258 13 P C 0.758 178.081 177.300 0.038 0.000 1.416 13 P CA 0.257 63.374 63.100 0.028 0.000 0.927 13 P CB 0.409 32.126 31.700 0.028 0.000 1.444 14 E N 1.251 121.474 120.200 0.037 0.000 2.150 14 E HA -0.062 4.280 4.350 -0.014 0.000 0.193 14 E C 0.727 177.358 176.600 0.053 0.000 0.985 14 E CA 1.149 57.578 56.400 0.049 0.000 0.814 14 E CB -0.017 29.709 29.700 0.044 0.000 0.752 14 E HN 0.609 nan 8.360 nan 0.000 0.466 15 D N -1.123 119.303 120.400 0.042 0.000 2.857 15 D HA 0.322 4.953 4.640 -0.014 0.000 0.227 15 D C -0.245 176.072 176.300 0.028 0.000 1.192 15 D CA -0.791 53.235 54.000 0.043 0.000 0.857 15 D CB 2.312 43.147 40.800 0.058 0.000 1.645 15 D HN -0.139 nan 8.370 nan 0.000 0.482 16 V N -0.917 119.008 119.914 0.018 0.000 2.962 16 V HA 0.605 4.716 4.120 -0.014 0.000 0.313 16 V C -0.774 175.307 176.094 -0.021 0.000 1.099 16 V CA -1.120 61.180 62.300 0.001 0.000 0.971 16 V CB 1.491 33.314 31.823 -0.001 0.000 1.028 16 V HN 0.586 nan 8.190 nan 0.000 0.430 17 N N 1.059 119.735 118.700 -0.041 0.000 2.472 17 N HA 0.634 5.366 4.740 -0.014 0.000 0.277 17 N C -0.967 174.451 175.510 -0.154 0.000 1.081 17 N CA -0.477 52.525 53.050 -0.080 0.000 0.973 17 N CB 1.889 40.333 38.487 -0.071 0.000 1.105 17 N HN 0.650 nan 8.380 nan 0.000 0.470 18 V N 3.712 123.516 119.914 -0.184 0.000 2.409 18 V HA 0.341 4.452 4.120 -0.014 0.000 0.291 18 V C 0.054 175.946 176.094 -0.337 0.000 1.020 18 V CA -0.685 61.456 62.300 -0.266 0.000 0.848 18 V CB 1.156 32.865 31.823 -0.190 0.000 0.990 18 V HN 0.588 nan 8.190 nan 0.000 0.430 19 I N 5.856 126.077 120.570 -0.583 0.000 2.337 19 I HA 0.271 4.432 4.170 -0.014 0.000 0.291 19 I C -0.065 175.806 176.117 -0.410 0.000 1.046 19 I CA -0.221 60.745 61.300 -0.556 0.000 1.324 19 I CB 0.823 38.294 38.000 -0.882 0.000 1.409 19 I HN 0.359 nan 8.210 nan 0.000 0.494 20 I N 6.855 127.290 120.570 -0.226 0.000 2.474 20 I HA 0.099 4.260 4.170 -0.014 0.000 0.287 20 I C 1.100 177.159 176.117 -0.096 0.000 1.048 20 I CA 0.451 61.660 61.300 -0.152 0.000 1.383 20 I CB 1.034 38.960 38.000 -0.125 0.000 1.412 20 I HN 0.737 nan 8.210 nan 0.000 0.531 21 E N 3.552 123.713 120.200 -0.065 0.000 2.228 21 E HA 0.186 4.527 4.350 -0.014 0.000 0.197 21 E C -0.555 175.955 176.600 -0.149 0.000 0.909 21 E CA 0.439 56.814 56.400 -0.042 0.000 0.911 21 E CB 0.942 30.692 29.700 0.083 0.000 0.887 21 E HN 0.385 nan 8.360 nan 0.000 0.481 22 V N 3.067 122.895 119.914 -0.144 0.000 2.760 22 V HA 0.308 4.419 4.120 -0.014 0.000 0.309 22 V C -2.569 173.386 176.094 -0.232 0.000 1.077 22 V CA -1.987 60.153 62.300 -0.267 0.000 0.910 22 V CB 2.178 33.693 31.823 -0.514 0.000 1.008 22 V HN 0.035 nan 8.190 nan 0.000 0.424 23 P HA 0.213 nan 4.420 nan 0.000 0.276 23 P C -0.160 177.081 177.300 -0.098 0.000 1.244 23 P CA -0.147 62.883 63.100 -0.117 0.000 0.801 23 P CB 1.590 33.238 31.700 -0.086 0.000 1.006 24 V N 1.994 121.874 119.914 -0.056 0.000 2.694 24 V HA 0.236 4.348 4.120 -0.014 0.000 0.306 24 V C 1.529 177.609 176.094 -0.024 0.000 1.054 24 V CA 2.043 64.322 62.300 -0.035 0.000 1.161 24 V CB -0.623 31.187 31.823 -0.022 0.000 0.916 24 V HN 1.041 nan 8.190 nan 0.000 0.490 25 G N 3.813 112.602 108.800 -0.019 0.000 2.179 25 G HA2 -0.179 3.773 3.960 -0.014 0.000 0.260 25 G HA3 -0.179 3.773 3.960 -0.014 0.000 0.260 25 G C 0.690 175.611 174.900 0.035 0.000 0.977 25 G CA 0.311 45.412 45.100 0.001 0.000 0.641 25 G HN 1.817 nan 8.290 nan 0.000 0.533 26 G N -0.287 108.544 108.800 0.051 0.000 2.554 26 G HA2 0.447 4.399 3.960 -0.014 0.000 0.238 26 G HA3 0.447 4.399 3.960 -0.014 0.000 0.238 26 G C 0.347 175.370 174.900 0.205 0.000 1.259 26 G CA -0.065 45.091 45.100 0.094 0.000 0.843 26 G HN 0.357 nan 8.290 nan 0.000 0.582 27 Q N 0.675 120.585 119.800 0.184 0.000 2.432 27 Q HA 0.083 4.414 4.340 -0.014 0.000 0.264 27 Q C -1.861 174.324 176.000 0.308 0.000 1.035 27 Q CA -1.061 54.860 55.803 0.196 0.000 0.908 27 Q CB 1.086 29.909 28.738 0.143 0.000 1.280 27 Q HN 0.350 nan 8.270 nan 0.000 0.455 28 P HA 0.197 nan 4.420 nan 0.000 0.230 28 P C -0.576 176.831 177.300 0.179 0.000 1.791 28 P CA 0.420 63.697 63.100 0.295 0.000 1.020 28 P CB -0.400 31.413 31.700 0.189 0.000 1.977 29 I N 2.110 122.803 120.570 0.206 0.000 2.382 29 I HA 0.265 4.427 4.170 -0.014 0.000 0.286 29 I C 0.550 176.688 176.117 0.036 0.000 1.002 29 I CA -0.893 60.358 61.300 -0.081 0.000 1.135 29 I CB 1.943 39.804 38.000 -0.232 0.000 1.288 29 I HN -0.125 nan 8.210 nan 0.000 0.448 30 K N 6.277 126.663 120.400 -0.025 0.000 2.297 30 K HA 0.400 4.712 4.320 -0.014 0.000 0.286 30 K C -1.347 175.215 176.600 -0.065 0.000 1.053 30 K CA -0.164 56.196 56.287 0.121 0.000 0.940 30 K CB 0.800 33.389 32.500 0.148 0.000 1.019 30 K HN 0.354 nan 8.250 nan 0.000 0.475 31 Y N 0.749 121.081 120.300 0.054 0.000 2.429 31 Y HA 0.385 4.925 4.550 -0.016 0.000 0.342 31 Y C 0.551 176.474 175.900 0.038 0.000 1.004 31 Y CA -0.631 57.475 58.100 0.010 0.000 1.075 31 Y CB 1.988 40.443 38.460 -0.008 0.000 1.214 31 Y HN 0.610 nan 8.280 nan 0.000 0.455 32 E N 2.854 123.145 120.200 0.151 0.000 2.191 32 E HA 0.553 4.895 4.350 -0.014 0.000 0.263 32 E C -1.014 175.596 176.600 0.016 0.000 0.881 32 E CA -1.176 55.254 56.400 0.049 0.000 0.757 32 E CB 1.783 31.482 29.700 -0.001 0.000 1.147 32 E HN 0.691 nan 8.360 nan 0.000 0.414 33 M N 2.717 122.290 119.600 -0.045 0.000 2.248 33 M HA 0.128 4.600 4.480 -0.014 0.000 0.345 33 M C -0.266 175.978 176.300 -0.092 0.000 1.243 33 M CA -0.139 55.136 55.300 -0.042 0.000 1.090 33 M CB 0.864 33.463 32.600 -0.002 0.000 1.683 33 M HN 0.588 nan 8.290 nan 0.000 0.450 34 D N 4.453 124.834 120.400 -0.031 0.000 2.373 34 D HA 0.268 4.899 4.640 -0.014 0.000 0.227 34 D C 0.711 177.000 176.300 -0.018 0.000 1.091 34 D CA 0.289 54.270 54.000 -0.032 0.000 0.840 34 D CB 1.215 42.012 40.800 -0.006 0.000 1.060 34 D HN 0.757 nan 8.370 nan 0.000 0.502 35 K N 3.768 124.147 120.400 -0.035 0.000 2.015 35 K HA -0.277 4.034 4.320 -0.014 0.000 0.216 35 K C 2.249 178.857 176.600 0.013 0.000 1.052 35 K CA 2.701 58.986 56.287 -0.005 0.000 0.937 35 K CB -1.404 31.089 32.500 -0.012 0.000 0.719 35 K HN 0.590 nan 8.250 nan 0.000 0.446 36 K N 0.176 120.580 120.400 0.007 0.000 2.057 36 K HA 0.355 4.666 4.320 -0.014 0.000 0.207 36 K C 2.635 179.243 176.600 0.014 0.000 1.049 36 K CA 1.821 58.115 56.287 0.012 0.000 0.931 36 K CB -1.064 31.440 32.500 0.007 0.000 0.714 36 K HN 0.891 nan 8.250 nan 0.000 0.440 37 A N -0.450 122.378 122.820 0.013 0.000 2.067 37 A HA 0.413 4.724 4.320 -0.014 0.000 0.217 37 A C 2.162 179.758 177.584 0.021 0.000 1.156 37 A CA 1.178 53.224 52.037 0.016 0.000 0.683 37 A CB -0.736 18.273 19.000 0.016 0.000 0.808 37 A HN 1.639 nan 8.150 nan 0.000 0.455 38 G N -1.379 107.436 108.800 0.025 0.000 2.356 38 G HA2 0.129 4.080 3.960 -0.014 0.000 0.296 38 G HA3 0.129 4.080 3.960 -0.014 0.000 0.296 38 G C 0.174 175.093 174.900 0.032 0.000 1.022 38 G CA 0.699 45.819 45.100 0.034 0.000 0.961 38 G HN 1.672 nan 8.290 nan 0.000 0.510 39 A N -0.513 122.326 122.820 0.032 0.000 2.435 39 A HA 0.828 5.139 4.320 -0.014 0.000 0.304 39 A C -0.025 177.587 177.584 0.047 0.000 1.064 39 A CA -0.787 51.270 52.037 0.034 0.000 0.727 39 A CB 1.293 20.313 19.000 0.033 0.000 1.284 39 A HN 0.715 nan 8.150 nan 0.000 0.415 40 L N 2.765 124.022 121.223 0.057 0.000 2.319 40 L HA 0.328 4.659 4.340 -0.014 0.000 0.280 40 L C -0.591 176.374 176.870 0.158 0.000 1.099 40 L CA -0.355 54.545 54.840 0.100 0.000 0.828 40 L CB 0.623 42.715 42.059 0.056 0.000 1.150 40 L HN 0.463 nan 8.230 nan 0.000 0.442 41 I N 3.998 124.653 120.570 0.142 0.000 2.378 41 I HA 0.225 4.386 4.170 -0.014 0.000 0.291 41 I C 0.259 176.402 176.117 0.043 0.000 0.992 41 I CA -0.720 60.632 61.300 0.087 0.000 1.154 41 I CB 1.631 39.651 38.000 0.033 0.000 1.315 41 I HN 0.154 nan 8.210 nan 0.000 0.448 42 V N 6.152 126.023 119.914 -0.072 0.000 2.540 42 V HA -0.064 4.047 4.120 -0.014 0.000 0.297 42 V C 1.061 177.029 176.094 -0.210 0.000 1.024 42 V CA 0.534 62.618 62.300 -0.360 0.000 1.105 42 V CB 0.707 32.279 31.823 -0.418 0.000 0.938 42 V HN 0.870 nan 8.190 nan 0.000 0.482 43 D N 3.310 123.571 120.400 -0.231 0.000 2.463 43 D HA 0.150 4.782 4.640 -0.014 0.000 0.237 43 D C 0.736 176.979 176.300 -0.096 0.000 1.013 43 D CA 0.038 53.974 54.000 -0.107 0.000 0.910 43 D CB 0.577 41.349 40.800 -0.047 0.000 1.080 43 D HN 0.558 nan 8.370 nan 0.000 0.498 44 R N -0.571 119.824 120.500 -0.174 0.000 2.633 44 R HA 0.305 4.637 4.340 -0.014 0.000 0.255 44 R C -2.093 174.100 176.300 -0.178 0.000 1.106 44 R CA -0.500 55.549 56.100 -0.085 0.000 0.959 44 R CB 0.023 30.304 30.300 -0.031 0.000 1.259 44 R HN -0.138 nan 8.270 nan 0.000 0.453 45 F N 4.832 124.731 119.950 -0.085 0.000 2.411 45 F HA 0.452 4.971 4.527 -0.013 0.000 0.350 45 F C 0.072 175.733 175.800 -0.230 0.000 1.114 45 F CA -0.418 57.474 58.000 -0.179 0.000 1.135 45 F CB 1.035 39.923 39.000 -0.187 0.000 1.120 45 F HN 0.191 nan 8.300 nan 0.000 0.495 46 L N 3.315 124.441 121.223 -0.163 0.000 2.352 46 L HA 0.343 4.674 4.340 -0.014 0.000 0.269 46 L C -0.336 176.262 176.870 -0.453 0.000 1.034 46 L CA -0.608 54.125 54.840 -0.178 0.000 0.806 46 L CB 1.175 43.150 42.059 -0.140 0.000 1.244 46 L HN 0.613 nan 8.230 nan 0.000 0.447 47 Y N -1.437 118.878 120.300 0.025 0.000 2.500 47 Y HA 0.078 4.619 4.550 -0.015 0.000 0.246 47 Y C 1.166 177.077 175.900 0.019 0.000 1.146 47 Y CA -0.631 57.487 58.100 0.031 0.000 1.230 47 Y CB 0.402 38.870 38.460 0.014 0.000 1.214 47 Y HN 0.561 nan 8.280 nan 0.000 0.526 48 T N 0.280 114.881 114.554 0.078 0.000 2.932 48 T HA 0.086 4.427 4.350 -0.014 0.000 0.312 48 T C -2.238 172.499 174.700 0.062 0.000 1.071 48 T CA -1.520 60.611 62.100 0.053 0.000 1.128 48 T CB 1.046 69.917 68.868 0.005 0.000 0.984 48 T HN 0.035 nan 8.240 nan 0.000 0.549 49 P HA 0.303 nan 4.420 nan 0.000 0.225 49 P C -0.809 176.540 177.300 0.082 0.000 1.813 49 P CA -0.167 62.976 63.100 0.071 0.000 1.013 49 P CB -0.222 31.514 31.700 0.061 0.000 1.961 50 M N 0.781 120.442 119.600 0.101 0.000 2.658 50 M HA 0.515 4.986 4.480 -0.014 0.000 0.295 50 M C -0.019 176.393 176.300 0.186 0.000 1.248 50 M CA -0.464 54.929 55.300 0.156 0.000 0.843 50 M CB 2.988 35.678 32.600 0.150 0.000 1.749 50 M HN -0.042 nan 8.290 nan 0.000 0.464 51 T N -2.137 112.518 114.554 0.168 0.000 2.909 51 T HA 0.548 4.890 4.350 -0.014 0.000 0.299 51 T C -0.984 173.531 174.700 -0.308 0.000 1.073 51 T CA -0.722 61.406 62.100 0.048 0.000 0.999 51 T CB 0.952 69.836 68.868 0.027 0.000 1.098 51 T HN 0.426 nan 8.240 nan 0.000 0.477 52 Y N 3.247 123.206 120.300 -0.567 0.000 2.717 52 Y HA 0.213 4.754 4.550 -0.016 0.000 0.330 52 Y C -1.042 174.450 175.900 -0.679 0.000 1.217 52 Y CA -1.051 56.375 58.100 -1.123 0.000 1.506 52 Y CB 0.891 38.966 38.460 -0.642 0.000 1.268 52 Y HN 0.522 nan 8.280 nan 0.000 0.561 53 P HA 0.184 nan 4.420 nan 0.000 0.261 53 P C 0.167 177.419 177.300 -0.079 0.000 1.268 53 P CA 0.636 63.591 63.100 -0.242 0.000 0.833 53 P CB 0.855 32.436 31.700 -0.198 0.000 1.231 54 G N -0.371 108.402 108.800 -0.046 0.000 2.548 54 G HA2 0.206 4.158 3.960 -0.014 0.000 0.301 54 G HA3 0.206 4.158 3.960 -0.014 0.000 0.301 54 G C -1.439 173.480 174.900 0.033 0.000 1.349 54 G CA -0.607 44.504 45.100 0.019 0.000 0.792 54 G HN -0.163 nan 8.290 nan 0.000 0.481 55 N N -0.133 118.581 118.700 0.023 0.000 2.520 55 N HA 0.308 5.040 4.740 -0.014 0.000 0.273 55 N C -1.522 174.049 175.510 0.102 0.000 1.155 55 N CA 0.281 53.337 53.050 0.011 0.000 0.967 55 N CB 1.704 40.171 38.487 -0.033 0.000 1.092 55 N HN 0.445 nan 8.380 nan 0.000 0.457 56 Y N 0.490 120.732 120.300 -0.098 0.000 2.391 56 Y HA 0.608 5.149 4.550 -0.014 0.000 0.341 56 Y C 0.118 176.004 175.900 -0.023 0.000 0.965 56 Y CA -0.456 57.630 58.100 -0.024 0.000 1.067 56 Y CB 1.279 39.723 38.460 -0.027 0.000 1.199 56 Y HN 0.615 nan 8.280 nan 0.000 0.450 57 G N 3.711 112.237 108.800 -0.456 0.000 2.650 57 G HA2 0.508 4.459 3.960 -0.014 0.000 0.310 57 G HA3 0.508 4.459 3.960 -0.014 0.000 0.310 57 G C -1.958 172.785 174.900 -0.261 0.000 1.270 57 G CA -0.564 44.349 45.100 -0.311 0.000 0.810 57 G HN 0.773 nan 8.290 nan 0.000 0.493 58 F N -1.367 118.431 119.950 -0.254 0.000 2.629 58 F HA 0.830 5.349 4.527 -0.014 0.000 0.316 58 F C -0.840 174.877 175.800 -0.138 0.000 1.081 58 F CA -1.525 56.361 58.000 -0.191 0.000 0.954 58 F CB 1.761 40.664 39.000 -0.161 0.000 1.337 58 F HN 0.362 nan 8.300 nan 0.000 0.474 59 V N 3.089 122.982 119.914 -0.035 0.000 2.370 59 V HA 0.406 4.517 4.120 -0.014 0.000 0.279 59 V C -2.077 174.016 176.094 -0.001 0.000 1.029 59 V CA -1.898 60.334 62.300 -0.112 0.000 0.870 59 V CB 0.987 32.791 31.823 -0.033 0.000 0.984 59 V HN 0.618 nan 8.190 nan 0.000 0.451 60 P HA 0.105 nan 4.420 nan 0.000 0.272 60 P C -0.151 176.948 177.300 -0.334 0.000 1.223 60 P CA 0.344 63.277 63.100 -0.278 0.000 0.784 60 P CB 0.210 31.551 31.700 -0.599 0.000 0.923 61 H N -2.231 116.884 119.070 0.075 0.000 2.862 61 H HA -0.110 4.435 4.556 -0.019 0.000 0.290 61 H C 0.265 175.598 175.328 0.010 0.000 1.211 61 H CA 1.221 57.286 56.048 0.028 0.000 1.140 61 H CB -2.803 26.966 29.762 0.012 0.000 1.341 61 H HN 0.629 nan 8.280 nan 0.000 0.392 62 T N -2.167 112.424 114.554 0.061 0.000 2.916 62 T HA 0.692 5.034 4.350 -0.014 0.000 0.292 62 T C -0.299 174.395 174.700 -0.010 0.000 1.055 62 T CA -1.119 60.989 62.100 0.014 0.000 1.009 62 T CB 3.133 72.001 68.868 -0.001 0.000 1.118 62 T HN 0.111 nan 8.240 nan 0.000 0.497 63 L N 2.355 123.548 121.223 -0.051 0.000 2.476 63 L HA 0.618 4.949 4.340 -0.014 0.000 0.269 63 L C 0.190 177.000 176.870 -0.101 0.000 0.965 63 L CA -0.180 54.625 54.840 -0.058 0.000 0.845 63 L CB 2.173 44.207 42.059 -0.042 0.000 1.259 63 L HN 1.126 nan 8.230 nan 0.000 0.403 64 S N 2.120 117.769 115.700 -0.085 0.000 2.645 64 S HA 0.317 4.779 4.470 -0.014 0.000 0.266 64 S C 0.830 175.390 174.600 -0.066 0.000 1.258 64 S CA -0.231 57.911 58.200 -0.096 0.000 0.990 64 S CB 0.751 63.938 63.200 -0.021 0.000 0.967 64 S HN 0.713 nan 8.310 nan 0.000 0.556 65 E N 0.401 120.570 120.200 -0.051 0.000 2.160 65 E HA -0.159 4.182 4.350 -0.014 0.000 0.195 65 E C 0.662 177.253 176.600 -0.016 0.000 0.991 65 E CA 1.357 57.741 56.400 -0.027 0.000 0.810 65 E CB -0.248 29.447 29.700 -0.008 0.000 0.742 65 E HN 0.635 nan 8.360 nan 0.000 0.466 66 D N -0.530 119.865 120.400 -0.009 0.000 2.363 66 D HA 0.005 4.636 4.640 -0.014 0.000 0.226 66 D C 1.107 177.396 176.300 -0.019 0.000 1.020 66 D CA 0.904 54.898 54.000 -0.010 0.000 0.892 66 D CB 0.255 41.053 40.800 -0.005 0.000 0.900 66 D HN 0.318 nan 8.370 nan 0.000 0.531 67 G N 0.941 109.726 108.800 -0.025 0.000 2.147 67 G HA2 -0.217 3.734 3.960 -0.014 0.000 0.244 67 G HA3 -0.217 3.734 3.960 -0.014 0.000 0.244 67 G C -0.334 174.542 174.900 -0.039 0.000 1.005 67 G CA -0.101 44.980 45.100 -0.031 0.000 0.713 67 G HN 0.245 nan 8.290 nan 0.000 0.515 68 D N 0.309 120.685 120.400 -0.040 0.000 2.299 68 D HA 0.511 5.142 4.640 -0.014 0.000 0.243 68 D C -2.398 173.871 176.300 -0.051 0.000 0.982 68 D CA -1.397 52.568 54.000 -0.059 0.000 0.924 68 D CB 1.752 42.522 40.800 -0.049 0.000 1.238 68 D HN 0.025 nan 8.370 nan 0.000 0.484 69 P HA 0.120 nan 4.420 nan 0.000 0.270 69 P C -0.023 177.298 177.300 0.036 0.000 1.223 69 P CA -0.329 62.768 63.100 -0.005 0.000 0.785 69 P CB 0.431 32.155 31.700 0.040 0.000 0.923 70 I N -1.427 119.182 120.570 0.066 0.000 2.696 70 I HA 0.283 4.445 4.170 -0.014 0.000 0.284 70 I C -0.262 175.921 176.117 0.110 0.000 1.129 70 I CA -0.046 61.321 61.300 0.110 0.000 1.410 70 I CB 0.298 38.380 38.000 0.137 0.000 1.399 70 I HN 0.088 nan 8.210 nan 0.000 0.579 71 D N 5.394 125.847 120.400 0.088 0.000 2.175 71 D HA 0.546 5.177 4.640 -0.014 0.000 0.248 71 D C -0.520 175.769 176.300 -0.019 0.000 1.047 71 D CA -0.196 53.789 54.000 -0.026 0.000 0.883 71 D CB 2.572 43.382 40.800 0.016 0.000 1.180 71 D HN 0.360 nan 8.370 nan 0.000 0.438 72 V N 2.322 122.168 119.914 -0.113 0.000 2.577 72 V HA 0.177 4.288 4.120 -0.014 0.000 0.303 72 V C -0.360 175.771 176.094 0.061 0.000 1.042 72 V CA -0.911 61.378 62.300 -0.019 0.000 0.872 72 V CB 2.486 34.285 31.823 -0.040 0.000 0.998 72 V HN 0.380 nan 8.190 nan 0.000 0.423 73 L N 6.230 127.568 121.223 0.192 0.000 2.261 73 L HA 0.494 4.826 4.340 -0.014 0.000 0.289 73 L C -0.354 176.595 176.870 0.131 0.000 1.059 73 L CA 0.075 55.085 54.840 0.284 0.000 0.816 73 L CB 1.444 43.715 42.059 0.353 0.000 1.191 73 L HN 0.517 nan 8.230 nan 0.000 0.431 74 V N 5.539 125.497 119.914 0.072 0.000 2.389 74 V HA 0.085 4.197 4.120 -0.014 0.000 0.264 74 V C 0.764 176.842 176.094 -0.027 0.000 1.049 74 V CA -0.486 61.801 62.300 -0.021 0.000 0.932 74 V CB 0.659 32.438 31.823 -0.072 0.000 1.011 74 V HN 0.869 nan 8.190 nan 0.000 0.475 75 C N 6.110 125.379 119.300 -0.051 0.000 2.554 75 C HA 0.215 4.667 4.460 -0.014 0.000 0.434 75 C C 1.260 176.211 174.990 -0.066 0.000 1.316 75 C CA -1.121 57.888 59.018 -0.015 0.000 1.671 75 C CB -2.403 25.361 27.740 0.040 0.000 2.172 75 C HN 0.948 nan 8.230 nan 0.000 0.601 76 N N 0.411 119.046 118.700 -0.109 0.000 2.566 76 N HA 0.265 4.996 4.740 -0.014 0.000 0.299 76 N C 0.672 176.215 175.510 0.054 0.000 1.277 76 N CA 0.298 53.329 53.050 -0.031 0.000 0.965 76 N CB 0.585 38.996 38.487 -0.127 0.000 1.142 76 N HN 0.306 nan 8.380 nan 0.000 0.596 77 T N -3.944 110.666 114.554 0.093 0.000 2.999 77 T HA 0.122 4.463 4.350 -0.014 0.000 0.247 77 T C 0.807 175.525 174.700 0.030 0.000 1.012 77 T CA -0.362 61.772 62.100 0.056 0.000 1.048 77 T CB 0.040 68.945 68.868 0.063 0.000 1.020 77 T HN 0.694 nan 8.240 nan 0.000 0.478 78 R N 2.296 122.815 120.500 0.030 0.000 2.390 78 R HA 0.533 4.865 4.340 -0.014 0.000 0.291 78 R C -2.952 173.344 176.300 -0.007 0.000 1.070 78 R CA -1.787 54.319 56.100 0.011 0.000 1.014 78 R CB -0.316 29.991 30.300 0.012 0.000 1.007 78 R HN 0.059 nan 8.270 nan 0.000 0.466 79 P HA 0.062 nan 4.420 nan 0.000 0.271 79 P C -0.677 176.602 177.300 -0.036 0.000 1.216 79 P CA -0.042 63.041 63.100 -0.028 0.000 0.776 79 P CB 0.639 32.322 31.700 -0.027 0.000 0.881 80 L N 2.714 123.907 121.223 -0.050 0.000 2.334 80 L HA 0.489 4.820 4.340 -0.014 0.000 0.270 80 L C 0.665 177.494 176.870 -0.068 0.000 1.018 80 L CA -1.222 53.584 54.840 -0.057 0.000 0.811 80 L CB 0.855 42.874 42.059 -0.067 0.000 1.271 80 L HN 0.205 nan 8.230 nan 0.000 0.443 81 I N 2.151 122.681 120.570 -0.066 0.000 2.496 81 I HA 0.163 4.324 4.170 -0.014 0.000 0.285 81 I C -2.054 174.010 176.117 -0.090 0.000 1.080 81 I CA -1.694 59.563 61.300 -0.071 0.000 1.404 81 I CB 0.583 38.548 38.000 -0.058 0.000 1.403 81 I HN 0.243 nan 8.210 nan 0.000 0.539 82 P HA 0.041 nan 4.420 nan 0.000 0.264 82 P C 0.829 178.070 177.300 -0.098 0.000 1.193 82 P CA 0.668 63.690 63.100 -0.130 0.000 0.763 82 P CB 0.617 32.201 31.700 -0.194 0.000 0.810 83 G N 1.521 110.269 108.800 -0.087 0.000 2.217 83 G HA2 -0.282 3.669 3.960 -0.014 0.000 0.246 83 G HA3 -0.282 3.669 3.960 -0.014 0.000 0.246 83 G C 0.486 175.339 174.900 -0.078 0.000 0.990 83 G CA -0.009 45.051 45.100 -0.067 0.000 0.627 83 G HN 0.852 nan 8.290 nan 0.000 0.522 84 C N 0.121 119.370 119.300 -0.085 0.000 2.639 84 C HA 0.803 5.254 4.460 -0.014 0.000 0.360 84 C C 0.945 175.868 174.990 -0.112 0.000 1.351 84 C CA -0.636 58.332 59.018 -0.083 0.000 2.408 84 C CB 1.071 28.768 27.740 -0.071 0.000 2.517 84 C HN 0.795 nan 8.230 nan 0.000 0.696 85 V N 2.629 122.483 119.914 -0.101 0.000 2.459 85 V HA 0.570 4.681 4.120 -0.014 0.000 0.295 85 V C -0.047 175.991 176.094 -0.093 0.000 1.029 85 V CA -0.299 61.930 62.300 -0.119 0.000 0.874 85 V CB 1.261 33.024 31.823 -0.100 0.000 0.985 85 V HN 0.928 nan 8.190 nan 0.000 0.438 86 I N 3.551 124.057 120.570 -0.106 0.000 2.533 86 I HA 0.505 4.666 4.170 -0.014 0.000 0.290 86 I C -0.448 175.623 176.117 -0.077 0.000 1.056 86 I CA -0.589 60.658 61.300 -0.088 0.000 1.057 86 I CB 1.918 39.858 38.000 -0.100 0.000 1.240 86 I HN 0.725 nan 8.210 nan 0.000 0.423 87 N N 6.224 124.897 118.700 -0.044 0.000 2.458 87 N HA 0.490 5.221 4.740 -0.014 0.000 0.270 87 N C -0.952 174.541 175.510 -0.028 0.000 1.102 87 N CA -0.266 52.782 53.050 -0.002 0.000 0.967 87 N CB 1.067 39.620 38.487 0.110 0.000 1.078 87 N HN 0.424 nan 8.380 nan 0.000 0.471 88 V N 1.174 121.075 119.914 -0.021 0.000 3.102 88 V HA 0.639 4.750 4.120 -0.014 0.000 0.312 88 V C -0.483 175.611 176.094 -0.001 0.000 1.135 88 V CA -1.244 61.033 62.300 -0.039 0.000 1.022 88 V CB 1.868 33.654 31.823 -0.063 0.000 1.056 88 V HN 0.662 nan 8.190 nan 0.000 0.436 89 R N 2.934 123.431 120.500 -0.005 0.000 2.229 89 R HA 0.543 4.874 4.340 -0.014 0.000 0.332 89 R C -2.698 173.619 176.300 0.028 0.000 0.989 89 R CA -1.978 54.138 56.100 0.026 0.000 0.842 89 R CB 1.804 32.123 30.300 0.032 0.000 1.119 89 R HN 0.685 nan 8.270 nan 0.000 0.456 90 P HA 0.043 nan 4.420 nan 0.000 0.271 90 P C 0.230 177.586 177.300 0.092 0.000 1.216 90 P CA 0.108 63.247 63.100 0.065 0.000 0.771 90 P CB 0.668 32.411 31.700 0.073 0.000 0.864 91 I N -0.521 120.117 120.570 0.112 0.000 4.439 91 I HA 0.562 4.723 4.170 -0.014 0.000 0.331 91 I C 0.406 176.661 176.117 0.229 0.000 1.345 91 I CA -0.209 61.181 61.300 0.150 0.000 1.193 91 I CB 0.745 38.816 38.000 0.120 0.000 1.221 91 I HN 0.425 nan 8.210 nan 0.000 0.429 92 G N 0.769 109.697 108.800 0.214 0.000 2.322 92 G HA2 0.477 4.428 3.960 -0.014 0.000 0.295 92 G HA3 0.477 4.428 3.960 -0.014 0.000 0.295 92 G C -1.923 173.073 174.900 0.161 0.000 1.369 92 G CA -0.379 44.870 45.100 0.249 0.000 0.821 92 G HN -0.053 nan 8.290 nan 0.000 0.536 93 V N 0.331 120.320 119.914 0.125 0.000 2.623 93 V HA 0.545 4.656 4.120 -0.014 0.000 0.304 93 V C -0.522 175.477 176.094 -0.158 0.000 1.054 93 V CA -0.704 61.578 62.300 -0.031 0.000 0.882 93 V CB 1.622 33.402 31.823 -0.071 0.000 1.002 93 V HN 0.919 nan 8.190 nan 0.000 0.424 94 L N 6.498 127.507 121.223 -0.356 0.000 2.325 94 L HA 0.504 4.835 4.340 -0.014 0.000 0.284 94 L C -0.346 176.185 176.870 -0.564 0.000 1.089 94 L CA 0.574 54.925 54.840 -0.815 0.000 0.836 94 L CB 0.938 42.557 42.059 -0.734 0.000 1.184 94 L HN 0.482 nan 8.230 nan 0.000 0.444 95 V N 7.348 126.929 119.914 -0.553 0.000 2.370 95 V HA 0.519 4.631 4.120 -0.014 0.000 0.283 95 V C 0.288 176.205 176.094 -0.295 0.000 1.023 95 V CA -0.340 61.753 62.300 -0.345 0.000 0.857 95 V CB 1.224 32.875 31.823 -0.287 0.000 0.985 95 V HN 0.840 nan 8.190 nan 0.000 0.443 96 M N 3.456 122.930 119.600 -0.210 0.000 2.658 96 M HA 0.616 5.087 4.480 -0.014 0.000 0.295 96 M C -0.700 175.554 176.300 -0.077 0.000 1.248 96 M CA -0.597 54.615 55.300 -0.146 0.000 0.843 96 M CB 2.914 35.421 32.600 -0.154 0.000 1.749 96 M HN 0.594 nan 8.290 nan 0.000 0.464 97 E N 1.407 121.597 120.200 -0.017 0.000 2.222 97 E HA 0.409 4.750 4.350 -0.014 0.000 0.267 97 E C -1.932 174.602 176.600 -0.110 0.000 0.884 97 E CA -0.511 55.898 56.400 0.016 0.000 0.764 97 E CB 1.917 31.717 29.700 0.166 0.000 1.169 97 E HN 0.723 nan 8.360 nan 0.000 0.413 98 D N 2.127 122.281 120.400 -0.410 0.000 2.801 98 D HA 0.179 4.810 4.640 -0.014 0.000 0.277 98 D C 0.359 175.843 176.300 -1.361 0.000 1.125 98 D CA -0.491 52.878 54.000 -1.052 0.000 1.102 98 D CB -0.078 40.358 40.800 -0.607 0.000 1.400 98 D HN 0.353 nan 8.370 nan 0.000 0.601 99 N N -0.722 117.124 118.700 -1.423 0.000 2.137 99 N HA -0.157 4.574 4.740 -0.014 0.000 0.190 99 N C 1.274 176.616 175.510 -0.281 0.000 1.017 99 N CA 2.136 54.763 53.050 -0.705 0.000 0.859 99 N CB -0.249 37.964 38.487 -0.458 0.000 1.002 99 N HN 0.495 nan 8.380 nan 0.000 0.428 100 S N -1.636 113.901 115.700 -0.271 0.000 2.577 100 S HA 0.550 5.012 4.470 -0.014 0.000 0.219 100 S C 0.913 175.461 174.600 -0.086 0.000 0.962 100 S CA 0.073 58.195 58.200 -0.130 0.000 0.921 100 S CB 0.243 63.379 63.200 -0.108 0.000 0.789 100 S HN 0.528 nan 8.310 nan 0.000 0.497 101 G N 1.356 110.093 108.800 -0.105 0.000 2.341 101 G HA2 -0.070 3.881 3.960 -0.014 0.000 0.196 101 G HA3 -0.070 3.881 3.960 -0.014 0.000 0.196 101 G C -1.047 173.824 174.900 -0.048 0.000 1.231 101 G CA -0.686 44.393 45.100 -0.035 0.000 1.155 101 G HN 0.469 nan 8.290 nan 0.000 0.529 102 K N 0.679 121.074 120.400 -0.010 0.000 2.298 102 K HA 0.480 4.792 4.320 -0.014 0.000 0.280 102 K C -1.309 175.280 176.600 -0.018 0.000 1.032 102 K CA 0.082 56.367 56.287 -0.004 0.000 0.958 102 K CB 0.769 33.291 32.500 0.035 0.000 0.978 102 K HN 0.553 nan 8.250 nan 0.000 0.472 103 D N 3.159 123.531 120.400 -0.047 0.000 2.736 103 D HA 0.218 4.849 4.640 -0.014 0.000 0.243 103 D C -1.540 174.698 176.300 -0.103 0.000 1.304 103 D CA -0.359 53.608 54.000 -0.055 0.000 0.934 103 D CB 1.087 41.839 40.800 -0.080 0.000 1.382 103 D HN 0.458 nan 8.370 nan 0.000 0.571 104 E N 2.398 122.548 120.200 -0.084 0.000 2.210 104 E HA 0.476 4.817 4.350 -0.014 0.000 0.266 104 E C -0.661 175.803 176.600 -0.227 0.000 0.883 104 E CA -0.847 55.422 56.400 -0.219 0.000 0.761 104 E CB 2.165 31.669 29.700 -0.327 0.000 1.156 104 E HN 0.155 nan 8.360 nan 0.000 0.412 105 K N 2.825 123.042 120.400 -0.305 0.000 2.426 105 K HA 0.425 4.737 4.320 -0.014 0.000 0.254 105 K C -0.611 175.879 176.600 -0.185 0.000 0.936 105 K CA -0.637 55.516 56.287 -0.223 0.000 0.801 105 K CB 1.897 34.189 32.500 -0.346 0.000 1.139 105 K HN 0.388 nan 8.250 nan 0.000 0.424 106 I N 3.792 124.310 120.570 -0.087 0.000 2.588 106 I HA 0.045 4.207 4.170 -0.014 0.000 0.283 106 I C 0.149 176.288 176.117 0.038 0.000 1.119 106 I CA -0.192 61.092 61.300 -0.027 0.000 1.419 106 I CB 0.395 38.418 38.000 0.038 0.000 1.394 106 I HN 0.298 nan 8.210 nan 0.000 0.562 107 I N 5.663 126.286 120.570 0.089 0.000 2.359 107 I HA 0.623 4.784 4.170 -0.014 0.000 0.294 107 I C 0.254 176.428 176.117 0.096 0.000 0.987 107 I CA -0.285 61.097 61.300 0.137 0.000 1.225 107 I CB 1.054 39.199 38.000 0.243 0.000 1.366 107 I HN 0.622 nan 8.210 nan 0.000 0.466 108 A N 6.136 128.987 122.820 0.051 0.000 2.539 108 A HA 0.835 5.147 4.320 -0.014 0.000 0.296 108 A C -0.803 176.735 177.584 -0.076 0.000 1.073 108 A CA -0.563 51.475 52.037 0.002 0.000 0.700 108 A CB 2.008 21.003 19.000 -0.009 0.000 1.296 108 A HN 0.521 nan 8.150 nan 0.000 0.405 109 V N -1.532 118.307 119.914 -0.124 0.000 2.881 109 V HA 0.791 4.902 4.120 -0.014 0.000 0.316 109 V C -2.945 172.987 176.094 -0.270 0.000 1.070 109 V CA -2.872 59.241 62.300 -0.311 0.000 0.976 109 V CB 1.254 32.892 31.823 -0.308 0.000 1.038 109 V HN 0.638 nan 8.190 nan 0.000 0.446 110 P HA 0.140 nan 4.420 nan 0.000 0.265 110 P C 0.011 177.242 177.300 -0.115 0.000 1.187 110 P CA 0.496 63.465 63.100 -0.217 0.000 0.766 110 P CB 0.318 31.897 31.700 -0.201 0.000 0.820 111 S N 4.865 120.501 115.700 -0.106 0.000 2.579 111 S HA 0.087 4.548 4.470 -0.014 0.000 0.275 111 S C -1.005 173.558 174.600 -0.062 0.000 1.345 111 S CA -0.672 57.504 58.200 -0.040 0.000 1.031 111 S CB -0.165 63.066 63.200 0.051 0.000 0.892 111 S HN 0.476 nan 8.310 nan 0.000 0.529 112 P HA -0.155 nan 4.420 nan 0.000 0.222 112 P C 1.048 178.383 177.300 0.059 0.000 1.147 112 P CA 1.118 64.254 63.100 0.060 0.000 0.790 112 P CB -0.260 31.493 31.700 0.088 0.000 0.780 113 H N -0.627 118.458 119.070 0.025 0.000 2.546 113 H HA 0.105 4.652 4.556 -0.015 0.000 0.277 113 H C 1.608 176.947 175.328 0.018 0.000 1.004 113 H CA 0.423 56.482 56.048 0.018 0.000 1.231 113 H CB -0.958 28.811 29.762 0.012 0.000 1.382 113 H HN 0.186 nan 8.280 nan 0.000 0.580 114 L N 0.398 121.391 121.223 -0.382 0.000 2.416 114 L HA 0.149 4.481 4.340 -0.014 0.000 0.216 114 L C 0.659 177.480 176.870 -0.081 0.000 1.098 114 L CA 0.681 55.370 54.840 -0.251 0.000 0.840 114 L CB 0.512 42.388 42.059 -0.306 0.000 0.981 114 L HN 0.296 nan 8.230 nan 0.000 0.462 115 T N -1.998 112.537 114.554 -0.033 0.000 3.003 115 T HA 0.196 4.537 4.350 -0.014 0.000 0.354 115 T C -0.070 174.643 174.700 0.021 0.000 1.651 115 T CA -0.683 61.427 62.100 0.016 0.000 1.103 115 T CB 1.156 70.073 68.868 0.082 0.000 1.450 115 T HN -0.117 nan 8.240 nan 0.000 0.484 116 R N 1.732 122.226 120.500 -0.010 0.000 2.299 116 R HA 0.144 4.475 4.340 -0.014 0.000 0.197 116 R C 2.112 178.355 176.300 -0.094 0.000 0.971 116 R CA 0.324 56.405 56.100 -0.031 0.000 1.030 116 R CB -0.419 29.860 30.300 -0.036 0.000 0.932 116 R HN 0.662 nan 8.270 nan 0.000 0.477 117 R N 0.206 120.601 120.500 -0.175 0.000 2.115 117 R HA -0.122 4.209 4.340 -0.014 0.000 0.230 117 R C 0.498 176.433 176.300 -0.609 0.000 1.111 117 R CA 1.462 57.285 56.100 -0.461 0.000 0.976 117 R CB 0.068 29.935 30.300 -0.721 0.000 0.870 117 R HN 0.186 nan 8.270 nan 0.000 0.445 118 Y N -0.150 120.117 120.300 -0.056 0.000 2.607 118 Y HA 0.237 4.779 4.550 -0.013 0.000 0.266 118 Y C 1.489 177.327 175.900 -0.103 0.000 1.178 118 Y CA -0.446 57.609 58.100 -0.075 0.000 1.226 118 Y CB 0.134 38.554 38.460 -0.068 0.000 1.144 118 Y HN 0.166 nan 8.280 nan 0.000 0.528 119 E N 1.959 122.155 120.200 -0.007 0.000 2.114 119 E HA -0.249 4.093 4.350 -0.014 0.000 0.199 119 E C 0.911 177.457 176.600 -0.091 0.000 1.008 119 E CA 1.647 58.036 56.400 -0.019 0.000 0.810 119 E CB 0.073 29.766 29.700 -0.011 0.000 0.739 119 E HN 0.461 nan 8.360 nan 0.000 0.456 120 K N 0.039 120.374 120.400 -0.109 0.000 2.437 120 K HA 0.183 4.494 4.320 -0.014 0.000 0.205 120 K C -0.367 176.072 176.600 -0.269 0.000 1.026 120 K CA -0.294 55.919 56.287 -0.124 0.000 1.153 120 K CB 0.921 33.418 32.500 -0.005 0.000 0.863 120 K HN 0.098 nan 8.250 nan 0.000 0.502 121 I N 1.877 122.245 120.570 -0.338 0.000 2.297 121 I HA 0.100 4.261 4.170 -0.014 0.000 0.291 121 I C 0.795 176.654 176.117 -0.430 0.000 1.033 121 I CA -0.077 61.080 61.300 -0.239 0.000 1.253 121 I CB 0.540 38.523 38.000 -0.028 0.000 1.396 121 I HN 0.214 nan 8.210 nan 0.000 0.476 122 H N 2.761 121.850 119.070 0.033 0.000 2.800 122 H HA 0.228 4.775 4.556 -0.015 0.000 0.257 122 H C -0.178 175.176 175.328 0.042 0.000 0.967 122 H CA 0.084 56.154 56.048 0.036 0.000 1.192 122 H CB 1.411 31.187 29.762 0.025 0.000 1.441 122 H HN 0.518 nan 8.280 nan 0.000 0.461 123 D N -0.584 119.886 120.400 0.116 0.000 2.490 123 D HA 0.098 4.729 4.640 -0.014 0.000 0.232 123 D C 1.047 177.349 176.300 0.003 0.000 1.053 123 D CA -0.781 53.261 54.000 0.070 0.000 0.914 123 D CB 1.547 42.339 40.800 -0.012 0.000 1.431 123 D HN 0.038 nan 8.370 nan 0.000 0.483 124 Y N -0.032 120.260 120.300 -0.013 0.000 2.256 124 Y HA -0.112 4.430 4.550 -0.013 0.000 0.288 124 Y C 1.886 177.686 175.900 -0.165 0.000 1.155 124 Y CA 1.672 59.709 58.100 -0.106 0.000 1.203 124 Y CB -1.375 36.980 38.460 -0.175 0.000 0.980 124 Y HN 0.320 nan 8.280 nan 0.000 0.530 125 T N -3.119 110.866 114.554 -0.949 0.000 3.098 125 T HA -0.114 4.228 4.350 -0.014 0.000 0.266 125 T C 1.001 175.527 174.700 -0.289 0.000 1.145 125 T CA 1.073 62.782 62.100 -0.652 0.000 1.092 125 T CB -0.441 68.048 68.868 -0.632 0.000 0.908 125 T HN 0.415 nan 8.240 nan 0.000 0.526 126 D N 0.443 120.729 120.400 -0.190 0.000 2.323 126 D HA 0.137 4.768 4.640 -0.014 0.000 0.209 126 D C 0.757 177.019 176.300 -0.064 0.000 0.973 126 D CA 0.362 54.306 54.000 -0.092 0.000 0.874 126 D CB -0.006 40.768 40.800 -0.044 0.000 0.930 126 D HN 0.369 nan 8.370 nan 0.000 0.521 127 M N 1.170 120.732 119.600 -0.064 0.000 2.228 127 M HA 0.252 4.723 4.480 -0.014 0.000 0.326 127 M C -2.134 174.139 176.300 -0.044 0.000 1.122 127 M CA -2.248 53.037 55.300 -0.025 0.000 1.161 127 M CB -0.205 32.394 32.600 -0.002 0.000 1.437 127 M HN -0.294 nan 8.290 nan 0.000 0.465 128 P HA 0.082 nan 4.420 nan 0.000 0.269 128 P C 0.339 177.625 177.300 -0.024 0.000 1.209 128 P CA 0.055 63.142 63.100 -0.021 0.000 0.776 128 P CB 0.522 32.220 31.700 -0.004 0.000 0.876 129 E N 2.059 122.242 120.200 -0.029 0.000 2.160 129 E HA -0.165 4.176 4.350 -0.014 0.000 0.195 129 E C 1.591 178.198 176.600 0.012 0.000 0.991 129 E CA 1.181 57.569 56.400 -0.021 0.000 0.810 129 E CB -0.638 29.053 29.700 -0.015 0.000 0.742 129 E HN 0.419 nan 8.360 nan 0.000 0.466 130 I N 0.029 120.608 120.570 0.015 0.000 2.163 130 I HA -0.327 3.834 4.170 -0.014 0.000 0.243 130 I C 2.136 178.282 176.117 0.048 0.000 1.085 130 I CA 1.673 62.989 61.300 0.028 0.000 1.347 130 I CB -0.435 37.574 38.000 0.016 0.000 1.044 130 I HN 0.186 nan 8.210 nan 0.000 0.408 131 T N 1.224 115.805 114.554 0.045 0.000 2.746 131 T HA -0.116 4.226 4.350 -0.014 0.000 0.267 131 T C 1.941 176.706 174.700 0.107 0.000 1.039 131 T CA 1.164 63.305 62.100 0.068 0.000 1.142 131 T CB -0.316 68.590 68.868 0.062 0.000 0.866 131 T HN 0.235 nan 8.240 nan 0.000 0.444 132 L N 0.434 121.699 121.223 0.070 0.000 2.046 132 L HA -0.117 4.215 4.340 -0.014 0.000 0.208 132 L C 2.643 179.683 176.870 0.283 0.000 1.077 132 L CA 1.478 56.368 54.840 0.083 0.000 0.747 132 L CB -0.473 41.486 42.059 -0.167 0.000 0.896 132 L HN 0.225 nan 8.230 nan 0.000 0.432 133 K N -0.403 120.118 120.400 0.202 0.000 2.148 133 K HA -0.164 4.148 4.320 -0.014 0.000 0.204 133 K C 2.156 178.905 176.600 0.249 0.000 1.050 133 K CA 1.031 57.464 56.287 0.242 0.000 0.942 133 K CB -0.060 32.532 32.500 0.154 0.000 0.724 133 K HN 0.386 nan 8.250 nan 0.000 0.446 134 Q N 0.602 120.513 119.800 0.186 0.000 2.079 134 Q HA -0.107 4.225 4.340 -0.014 0.000 0.200 134 Q C 2.118 178.258 176.000 0.232 0.000 0.974 134 Q CA 1.233 57.135 55.803 0.165 0.000 0.840 134 Q CB -0.107 28.687 28.738 0.092 0.000 0.898 134 Q HN 0.313 nan 8.270 nan 0.000 0.430 135 I N 0.648 121.380 120.570 0.270 0.000 2.142 135 I HA -0.295 3.866 4.170 -0.014 0.000 0.240 135 I C 2.463 178.828 176.117 0.414 0.000 1.078 135 I CA 1.072 62.578 61.300 0.344 0.000 1.343 135 I CB -0.476 37.782 38.000 0.431 0.000 1.046 135 I HN 0.167 nan 8.210 nan 0.000 0.405 136 A N -0.165 122.900 122.820 0.408 0.000 1.908 136 A HA -0.295 4.016 4.320 -0.014 0.000 0.218 136 A C 2.355 180.088 177.584 0.249 0.000 1.181 136 A CA 1.844 54.049 52.037 0.279 0.000 0.627 136 A CB -1.096 18.089 19.000 0.307 0.000 0.818 136 A HN 0.537 nan 8.150 nan 0.000 0.445 137 H N -1.951 117.242 119.070 0.205 0.000 2.357 137 H HA -0.143 4.405 4.556 -0.014 0.000 0.301 137 H C 1.959 177.390 175.328 0.171 0.000 1.082 137 H CA 1.944 58.126 56.048 0.224 0.000 1.342 137 H CB -0.290 29.603 29.762 0.219 0.000 1.389 137 H HN 0.503 nan 8.280 nan 0.000 0.511 138 F N 0.753 120.713 119.950 0.016 0.000 2.075 138 F HA -0.222 4.296 4.527 -0.016 0.000 0.297 138 F C 1.999 177.508 175.800 -0.485 0.000 1.113 138 F CA 1.566 59.378 58.000 -0.313 0.000 1.218 138 F CB -0.796 37.831 39.000 -0.623 0.000 0.984 138 F HN 0.017 nan 8.300 nan 0.000 0.472 139 F N 0.769 120.629 119.950 -0.149 0.000 2.234 139 F HA -0.094 4.426 4.527 -0.012 0.000 0.299 139 F C 2.530 178.235 175.800 -0.159 0.000 1.087 139 F CA 1.560 59.419 58.000 -0.235 0.000 1.340 139 F CB -0.948 37.980 39.000 -0.121 0.000 1.031 139 F HN 0.105 nan 8.300 nan 0.000 0.500 140 E N -0.843 119.300 120.200 -0.094 0.000 2.110 140 E HA -0.196 4.145 4.350 -0.014 0.000 0.193 140 E C 1.588 177.874 176.600 -0.522 0.000 0.988 140 E CA 1.313 57.510 56.400 -0.338 0.000 0.804 140 E CB 0.004 29.387 29.700 -0.529 0.000 0.745 140 E HN 0.457 nan 8.360 nan 0.000 0.458 141 H N -1.908 117.043 119.070 -0.198 0.000 2.874 141 H HA 0.007 4.556 4.556 -0.013 0.000 0.264 141 H C 1.394 176.610 175.328 -0.186 0.000 1.007 141 H CA 0.500 56.417 56.048 -0.219 0.000 1.207 141 H CB 0.081 29.625 29.762 -0.363 0.000 1.487 141 H HN 0.410 nan 8.280 nan 0.000 0.505 142 Y N 1.423 121.435 120.300 -0.479 0.000 2.421 142 Y HA 0.069 4.610 4.550 -0.016 0.000 0.292 142 Y C 1.305 177.017 175.900 -0.313 0.000 1.136 142 Y CA 0.496 58.262 58.100 -0.557 0.000 1.255 142 Y CB -0.008 37.738 38.460 -1.190 0.000 0.991 142 Y HN -0.153 nan 8.280 nan 0.000 0.552 143 K N 0.536 120.634 120.400 -0.503 0.000 2.410 143 K HA 0.009 4.320 4.320 -0.014 0.000 0.200 143 K C 0.445 176.933 176.600 -0.187 0.000 1.023 143 K CA 0.162 56.188 56.287 -0.434 0.000 1.149 143 K CB 0.162 32.375 32.500 -0.478 0.000 0.859 143 K HN 0.274 nan 8.250 nan 0.000 0.514 144 D N 1.122 121.461 120.400 -0.101 0.000 2.218 144 D HA -0.117 4.515 4.640 -0.014 0.000 0.204 144 D C 1.285 177.579 176.300 -0.011 0.000 0.976 144 D CA 1.042 55.032 54.000 -0.017 0.000 0.853 144 D CB 0.226 41.053 40.800 0.045 0.000 0.939 144 D HN 0.222 nan 8.370 nan 0.000 0.481 145 L N 0.572 121.784 121.223 -0.018 0.000 2.592 145 L HA 0.079 4.410 4.340 -0.014 0.000 0.227 145 L C 0.376 177.243 176.870 -0.004 0.000 1.127 145 L CA 0.127 54.970 54.840 0.005 0.000 0.884 145 L CB 0.174 42.255 42.059 0.037 0.000 1.065 145 L HN -0.215 nan 8.230 nan 0.000 0.457 146 E N 1.515 121.696 120.200 -0.032 0.000 2.229 146 E HA 0.234 4.575 4.350 -0.014 0.000 0.283 146 E C -2.177 174.409 176.600 -0.023 0.000 1.030 146 E CA -2.186 54.193 56.400 -0.035 0.000 0.836 146 E CB 0.663 30.317 29.700 -0.078 0.000 1.068 146 E HN -0.087 nan 8.360 nan 0.000 0.401 147 P HA -0.022 nan 4.420 nan 0.000 0.260 147 P C 0.779 178.086 177.300 0.011 0.000 1.185 147 P CA 0.858 63.958 63.100 -0.000 0.000 0.763 147 P CB 0.328 32.025 31.700 -0.004 0.000 0.776 148 G N 2.440 111.263 108.800 0.039 0.000 2.189 148 G HA2 -0.282 3.670 3.960 -0.014 0.000 0.267 148 G HA3 -0.282 3.670 3.960 -0.014 0.000 0.267 148 G C 0.123 175.096 174.900 0.121 0.000 0.975 148 G CA -0.147 45.006 45.100 0.089 0.000 0.644 148 G HN 0.529 nan 8.290 nan 0.000 0.537 149 K N 0.779 121.197 120.400 0.030 0.000 2.258 149 K HA 0.421 4.732 4.320 -0.014 0.000 0.284 149 K C 0.405 177.017 176.600 0.019 0.000 1.051 149 K CA -0.117 56.127 56.287 -0.071 0.000 0.923 149 K CB 0.851 33.269 32.500 -0.137 0.000 1.046 149 K HN 0.545 nan 8.250 nan 0.000 0.474 150 W N 0.873 122.137 121.300 -0.061 0.000 2.962 150 W HA 0.650 5.303 4.660 -0.012 0.000 0.341 150 W C -1.468 175.008 176.519 -0.072 0.000 1.155 150 W CA -1.068 56.238 57.345 -0.065 0.000 1.165 150 W CB 0.551 29.982 29.460 -0.048 0.000 1.435 150 W HN 0.057 nan 8.180 nan 0.000 0.546 151 V N 2.010 122.073 119.914 0.247 0.000 2.777 151 V HA 0.341 4.452 4.120 -0.014 0.000 0.306 151 V C -0.565 175.647 176.094 0.197 0.000 1.112 151 V CA -1.044 61.316 62.300 0.101 0.000 0.917 151 V CB 2.031 33.824 31.823 -0.051 0.000 1.018 151 V HN 0.514 nan 8.190 nan 0.000 0.426 152 K N 4.579 125.116 120.400 0.228 0.000 2.323 152 K HA 0.619 4.930 4.320 -0.014 0.000 0.259 152 K C -1.107 175.504 176.600 0.018 0.000 0.947 152 K CA -0.823 55.538 56.287 0.123 0.000 0.819 152 K CB 2.130 34.727 32.500 0.162 0.000 1.109 152 K HN 0.402 nan 8.250 nan 0.000 0.429 153 I N 2.907 123.457 120.570 -0.033 0.000 2.371 153 I HA 0.155 4.317 4.170 -0.014 0.000 0.290 153 I C 1.086 177.147 176.117 -0.093 0.000 1.028 153 I CA 0.089 61.326 61.300 -0.105 0.000 1.345 153 I CB 0.493 38.433 38.000 -0.100 0.000 1.407 153 I HN 0.731 nan 8.210 nan 0.000 0.501 154 G N 5.280 113.990 108.800 -0.150 0.000 2.583 154 G HA2 0.251 4.203 3.960 -0.014 0.000 0.280 154 G HA3 0.251 4.203 3.960 -0.014 0.000 0.280 154 G C -0.494 174.327 174.900 -0.130 0.000 1.376 154 G CA -0.490 44.541 45.100 -0.115 0.000 1.043 154 G HN 0.506 nan 8.290 nan 0.000 0.538 155 D N 0.003 120.358 120.400 -0.076 0.000 2.425 155 D HA 0.110 4.741 4.640 -0.014 0.000 0.247 155 D C -0.193 176.065 176.300 -0.070 0.000 1.147 155 D CA 0.275 54.271 54.000 -0.007 0.000 0.879 155 D CB 0.633 41.433 40.800 -0.001 0.000 1.179 155 D HN 0.181 nan 8.370 nan 0.000 0.456 156 W N 1.285 122.461 121.300 -0.206 0.000 2.193 156 W HA 0.308 4.960 4.660 -0.013 0.000 0.338 156 W C 1.320 177.616 176.519 -0.372 0.000 1.310 156 W CA -0.272 56.832 57.345 -0.401 0.000 1.243 156 W CB 0.447 29.405 29.460 -0.836 0.000 1.165 156 W HN 0.263 nan 8.180 nan 0.000 0.566 157 G N 2.459 111.188 108.800 -0.119 0.000 2.372 157 G HA2 0.330 4.282 3.960 -0.014 0.000 0.283 157 G HA3 0.330 4.282 3.960 -0.014 0.000 0.283 157 G C -0.446 174.552 174.900 0.163 0.000 1.177 157 G CA -0.716 44.349 45.100 -0.058 0.000 0.842 157 G HN 0.510 nan 8.290 nan 0.000 0.503 158 D N -0.077 120.504 120.400 0.302 0.000 2.447 158 D HA 0.045 4.677 4.640 -0.014 0.000 0.265 158 D C 1.543 178.039 176.300 0.326 0.000 1.250 158 D CA -0.271 53.979 54.000 0.417 0.000 1.046 158 D CB 0.468 41.463 40.800 0.326 0.000 1.095 158 D HN 0.565 nan 8.370 nan 0.000 0.555 159 E N -0.564 119.797 120.200 0.268 0.000 2.160 159 E HA -0.258 4.084 4.350 -0.014 0.000 0.195 159 E C 0.724 177.424 176.600 0.167 0.000 0.991 159 E CA 1.297 57.817 56.400 0.200 0.000 0.810 159 E CB -0.261 29.538 29.700 0.166 0.000 0.742 159 E HN 0.376 nan 8.360 nan 0.000 0.466 160 D N 0.082 120.586 120.400 0.172 0.000 2.162 160 D HA -0.127 4.505 4.640 -0.014 0.000 0.203 160 D C 1.680 178.078 176.300 0.163 0.000 0.967 160 D CA 0.832 54.917 54.000 0.143 0.000 0.840 160 D CB -0.348 40.528 40.800 0.126 0.000 0.972 160 D HN 0.269 nan 8.370 nan 0.000 0.482 161 Y N 2.034 122.395 120.300 0.101 0.000 2.181 161 Y HA -0.145 4.397 4.550 -0.014 0.000 0.288 161 Y C 2.278 178.249 175.900 0.119 0.000 1.146 161 Y CA 1.486 59.645 58.100 0.099 0.000 1.164 161 Y CB -0.338 38.167 38.460 0.076 0.000 0.982 161 Y HN -0.064 nan 8.280 nan 0.000 0.515 162 A N 0.631 123.505 122.820 0.091 0.000 1.908 162 A HA -0.228 4.084 4.320 -0.014 0.000 0.218 162 A C 2.313 179.923 177.584 0.043 0.000 1.181 162 A CA 2.002 54.061 52.037 0.036 0.000 0.627 162 A CB -0.660 18.404 19.000 0.107 0.000 0.818 162 A HN 0.542 nan 8.150 nan 0.000 0.445 163 R N -0.580 119.951 120.500 0.050 0.000 2.081 163 R HA -0.135 4.196 4.340 -0.014 0.000 0.235 163 R C 2.408 178.713 176.300 0.008 0.000 1.131 163 R CA 1.702 57.826 56.100 0.040 0.000 0.960 163 R CB -0.288 30.041 30.300 0.048 0.000 0.856 163 R HN 0.636 nan 8.270 nan 0.000 0.436 164 K N 0.241 120.627 120.400 -0.024 0.000 2.057 164 K HA -0.182 4.130 4.320 -0.014 0.000 0.207 164 K C 1.901 178.448 176.600 -0.088 0.000 1.049 164 K CA 1.416 57.671 56.287 -0.053 0.000 0.931 164 K CB -0.185 32.282 32.500 -0.055 0.000 0.714 164 K HN 0.071 nan 8.250 nan 0.000 0.440 165 F N 1.458 121.201 119.950 -0.345 0.000 2.134 165 F HA -0.131 4.395 4.527 -0.001 0.000 0.299 165 F C 1.730 177.436 175.800 -0.156 0.000 1.097 165 F CA 1.328 59.138 58.000 -0.317 0.000 1.264 165 F CB -0.016 38.704 39.000 -0.467 0.000 1.001 165 F HN -0.019 nan 8.300 nan 0.000 0.479 166 I N -0.769 119.816 120.570 0.026 0.000 2.202 166 I HA -0.280 3.881 4.170 -0.014 0.000 0.242 166 I C 2.256 178.319 176.117 -0.090 0.000 1.091 166 I CA 1.139 62.423 61.300 -0.027 0.000 1.368 166 I CB -0.608 37.420 38.000 0.047 0.000 1.058 166 I HN -0.058 nan 8.210 nan 0.000 0.410 167 V N 0.700 120.577 119.914 -0.062 0.000 2.332 167 V HA -0.296 3.815 4.120 -0.014 0.000 0.248 167 V C 2.327 178.364 176.094 -0.095 0.000 1.055 167 V CA 1.928 64.192 62.300 -0.060 0.000 1.038 167 V CB -0.727 31.075 31.823 -0.035 0.000 0.651 167 V HN 0.440 nan 8.190 nan 0.000 0.450 168 E N 0.169 120.284 120.200 -0.141 0.000 2.118 168 E HA -0.205 4.137 4.350 -0.014 0.000 0.195 168 E C 2.274 178.754 176.600 -0.199 0.000 0.992 168 E CA 1.373 57.673 56.400 -0.166 0.000 0.804 168 E CB -0.308 29.271 29.700 -0.203 0.000 0.741 168 E HN 0.629 nan 8.360 nan 0.000 0.458 169 A N 0.679 123.333 122.820 -0.277 0.000 1.970 169 A HA -0.074 4.238 4.320 -0.014 0.000 0.216 169 A C 2.083 179.594 177.584 -0.122 0.000 1.170 169 A CA 0.606 52.499 52.037 -0.240 0.000 0.645 169 A CB -0.319 18.488 19.000 -0.321 0.000 0.816 169 A HN 0.121 nan 8.150 nan 0.000 0.447 170 I N -0.450 120.066 120.570 -0.090 0.000 2.252 170 I HA -0.185 3.976 4.170 -0.014 0.000 0.245 170 I C 2.421 178.516 176.117 -0.037 0.000 1.102 170 I CA 1.091 62.368 61.300 -0.039 0.000 1.385 170 I CB -0.256 37.729 38.000 -0.025 0.000 1.064 170 I HN 0.228 nan 8.210 nan 0.000 0.414 171 E N 0.673 120.841 120.200 -0.052 0.000 2.077 171 E HA -0.209 4.133 4.350 -0.014 0.000 0.193 171 E C 2.184 178.758 176.600 -0.043 0.000 0.989 171 E CA 1.010 57.384 56.400 -0.043 0.000 0.800 171 E CB -0.338 29.334 29.700 -0.046 0.000 0.746 171 E HN 0.349 nan 8.360 nan 0.000 0.452 172 R N 0.202 120.665 120.500 -0.061 0.000 2.120 172 R HA -0.071 4.260 4.340 -0.014 0.000 0.234 172 R C 2.055 178.332 176.300 -0.039 0.000 1.123 172 R CA 1.172 57.238 56.100 -0.056 0.000 0.975 172 R CB -0.051 30.199 30.300 -0.083 0.000 0.866 172 R HN 0.128 nan 8.270 nan 0.000 0.446 173 A N 0.919 123.721 122.820 -0.030 0.000 1.929 173 A HA -0.047 4.265 4.320 -0.014 0.000 0.216 173 A C 0.820 178.401 177.584 -0.005 0.000 1.176 173 A CA 0.808 52.840 52.037 -0.007 0.000 0.628 173 A CB -0.054 18.959 19.000 0.021 0.000 0.816 173 A HN 0.226 nan 8.150 nan 0.000 0.444 174 K N 0.000 120.393 120.400 -0.012 0.000 2.780 174 K HA 0.000 4.311 4.320 -0.014 0.000 0.191 174 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 174 K CB 0.000 32.488 32.500 -0.019 0.000 1.064 174 K HN 0.000 nan 8.250 nan 0.000 0.543