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 3klu_1_A DATA FIRST_RESID 8 DATA SEQUENCE KVYDLSFFXP GQTIDAEEVE VPISKRFVDK EGNVVPFIFK AITTDRIDEL DATA SEQUENCE EKENTTXXXX XXXXXXXELD SQRFYARIAV ETTVYPTFKA KELREAYKTE DATA SEQUENCE DPVEVAKRVL SVGGEYANWL NKAIEINGFD 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.386 176.600 -0.356 0.000 0.988 8 K CA 0.000 56.119 56.287 -0.280 0.000 0.838 8 K CB 0.000 32.340 32.500 -0.267 0.000 1.064 9 V N 2.399 122.159 119.914 -0.258 0.000 5.273 9 V HA -0.274 3.845 4.120 -0.002 0.000 0.375 9 V C -0.758 175.244 176.094 -0.153 0.000 0.716 9 V CA 1.000 63.206 62.300 -0.156 0.000 1.405 9 V CB -0.962 30.819 31.823 -0.069 0.000 1.646 9 V HN 0.330 nan 8.190 nan 0.000 0.466 10 Y N 4.605 124.924 120.300 0.032 0.000 2.359 10 Y HA 0.385 4.933 4.550 -0.002 0.000 0.330 10 Y C 0.734 176.660 175.900 0.045 0.000 1.143 10 Y CA -0.092 58.042 58.100 0.056 0.000 1.318 10 Y CB 0.673 39.171 38.460 0.063 0.000 1.234 10 Y HN 0.753 nan 8.280 nan 0.000 0.522 11 D N 3.998 124.537 120.400 0.231 0.000 2.411 11 D HA 0.139 4.777 4.640 -0.002 0.000 0.225 11 D C 0.151 176.456 176.300 0.008 0.000 1.156 11 D CA 0.089 54.109 54.000 0.035 0.000 0.874 11 D CB 0.388 41.148 40.800 -0.067 0.000 1.034 11 D HN 0.612 nan 8.370 nan 0.000 0.502 12 L N 2.556 123.798 121.223 0.032 0.000 2.591 12 L HA -0.021 4.318 4.340 -0.002 0.000 0.228 12 L C 2.250 179.103 176.870 -0.028 0.000 1.133 12 L CA 0.054 54.983 54.840 0.147 0.000 0.880 12 L CB -0.234 41.914 42.059 0.149 0.000 1.033 12 L HN 0.311 nan 8.230 nan 0.000 0.450 13 S N 0.075 115.589 115.700 -0.311 0.000 2.400 13 S HA -0.179 4.290 4.470 -0.002 0.000 0.232 13 S C 1.670 176.095 174.600 -0.291 0.000 1.025 13 S CA 0.967 58.977 58.200 -0.317 0.000 0.993 13 S CB -0.608 62.341 63.200 -0.419 0.000 0.808 13 S HN 0.327 nan 8.310 nan 0.000 0.478 14 F N 1.373 121.197 119.950 -0.210 0.000 2.365 14 F HA 0.309 4.835 4.527 -0.002 0.000 0.300 14 F C 0.889 176.335 175.800 -0.590 0.000 1.090 14 F CA -0.695 57.035 58.000 -0.450 0.000 1.408 14 F CB -0.956 37.635 39.000 -0.683 0.000 1.060 14 F HN 0.130 nan 8.300 nan 0.000 0.534 18 G N 1.516 110.325 108.800 0.015 0.000 3.263 18 G HA2 0.312 4.271 3.960 -0.002 0.000 0.246 18 G HA3 0.312 4.271 3.960 -0.002 0.000 0.246 18 G C 0.577 175.486 174.900 0.015 0.000 0.982 18 G CA 1.474 46.580 45.100 0.011 0.000 1.897 18 G HN 0.570 nan 8.290 nan 0.000 0.624 19 Q N -0.711 119.101 119.800 0.020 0.000 2.485 19 Q HA -0.118 4.221 4.340 -0.002 0.000 0.182 19 Q C 0.823 176.834 176.000 0.019 0.000 0.571 19 Q CA 0.999 56.818 55.803 0.027 0.000 0.868 19 Q CB -0.667 28.099 28.738 0.046 0.000 0.902 19 Q HN 0.454 nan 8.270 nan 0.000 0.293 20 T N 2.071 116.636 114.554 0.019 0.000 2.525 20 T HA 0.076 4.425 4.350 -0.002 0.000 0.239 20 T C 0.725 175.430 174.700 0.009 0.000 1.047 20 T CA 0.469 62.576 62.100 0.012 0.000 1.215 20 T CB -0.995 67.898 68.868 0.041 0.000 1.025 20 T HN 0.353 nan 8.240 nan 0.000 0.487 21 I N 3.669 124.236 120.570 -0.004 0.000 2.919 21 I HA -0.025 4.143 4.170 -0.002 0.000 0.303 21 I C 1.337 177.455 176.117 0.002 0.000 1.221 21 I CA 0.484 61.781 61.300 -0.004 0.000 1.444 21 I CB 0.155 38.146 38.000 -0.014 0.000 1.331 21 I HN 0.760 nan 8.210 nan 0.000 0.572 22 D N 4.324 124.727 120.400 0.004 0.000 2.332 22 D HA 0.427 5.066 4.640 -0.002 0.000 0.252 22 D C -0.356 175.947 176.300 0.004 0.000 1.050 22 D CA -0.510 53.494 54.000 0.007 0.000 0.970 22 D CB 1.742 42.548 40.800 0.010 0.000 1.141 22 D HN 0.592 nan 8.370 nan 0.000 0.485 23 A N 1.915 124.738 122.820 0.006 0.000 2.540 23 A HA 0.067 4.385 4.320 -0.002 0.000 0.239 23 A C 0.920 178.512 177.584 0.013 0.000 1.061 23 A CA -0.103 51.937 52.037 0.005 0.000 0.758 23 A CB 0.025 19.029 19.000 0.006 0.000 0.991 23 A HN 0.609 nan 8.150 nan 0.000 0.502 24 E N 1.781 121.989 120.200 0.013 0.000 4.263 24 E HA -0.137 4.211 4.350 -0.002 0.000 0.557 24 E C -0.079 176.543 176.600 0.036 0.000 0.795 24 E CA 1.616 58.030 56.400 0.023 0.000 3.757 24 E CB -0.045 29.672 29.700 0.027 0.000 0.789 24 E HN 0.693 nan 8.360 nan 0.000 0.336 25 E N -2.198 118.037 120.200 0.058 0.000 3.481 25 E HA 0.045 4.394 4.350 -0.002 0.000 0.193 25 E C -1.794 174.863 176.600 0.095 0.000 1.203 25 E CA -0.011 56.437 56.400 0.078 0.000 0.710 25 E CB -0.427 29.303 29.700 0.050 0.000 0.788 25 E HN 0.201 nan 8.360 nan 0.000 0.384 26 V N 2.489 122.485 119.914 0.137 0.000 2.407 26 V HA 0.250 4.369 4.120 -0.002 0.000 0.278 26 V C 0.524 176.756 176.094 0.230 0.000 1.037 26 V CA -0.236 62.147 62.300 0.137 0.000 0.900 26 V CB 1.529 33.404 31.823 0.087 0.000 0.983 26 V HN 0.329 nan 8.190 nan 0.000 0.459 27 E N 3.185 123.496 120.200 0.185 0.000 2.283 27 E HA 0.585 4.934 4.350 -0.002 0.000 0.278 27 E C -1.252 175.488 176.600 0.232 0.000 1.027 27 E CA -0.318 56.223 56.400 0.235 0.000 0.843 27 E CB 1.942 31.743 29.700 0.169 0.000 1.062 27 E HN 0.472 nan 8.360 nan 0.000 0.401 28 V N 5.088 125.201 119.914 0.332 0.000 2.668 28 V HA 0.243 4.362 4.120 -0.002 0.000 0.304 28 V C -2.402 173.848 176.094 0.261 0.000 1.071 28 V CA -1.619 60.831 62.300 0.251 0.000 0.894 28 V CB 2.017 33.974 31.823 0.224 0.000 1.008 28 V HN 0.619 nan 8.190 nan 0.000 0.425 29 P HA 0.237 nan 4.420 nan 0.000 0.252 29 P C 0.852 178.176 177.300 0.041 0.000 1.727 29 P CA -0.042 63.134 63.100 0.127 0.000 1.134 29 P CB 0.581 32.338 31.700 0.094 0.000 1.876 30 I N 0.383 120.925 120.570 -0.047 0.000 2.454 30 I HA -0.087 4.082 4.170 -0.002 0.000 0.254 30 I C 1.213 177.239 176.117 -0.152 0.000 1.156 30 I CA 1.472 62.660 61.300 -0.186 0.000 1.433 30 I CB -0.578 37.040 38.000 -0.637 0.000 1.082 30 I HN 0.283 nan 8.210 nan 0.000 0.432 31 S N -0.546 115.087 115.700 -0.112 0.000 2.533 31 S HA 0.319 4.787 4.470 -0.002 0.000 0.271 31 S C 0.388 174.878 174.600 -0.184 0.000 1.143 31 S CA -0.721 57.354 58.200 -0.209 0.000 0.891 31 S CB 1.462 64.375 63.200 -0.478 0.000 1.105 31 S HN 0.093 nan 8.310 nan 0.000 0.468 32 K N 2.011 122.308 120.400 -0.171 0.000 2.487 32 K HA 0.157 4.475 4.320 -0.002 0.000 0.192 32 K C 1.434 177.942 176.600 -0.152 0.000 1.027 32 K CA 0.205 56.429 56.287 -0.105 0.000 1.054 32 K CB 0.088 32.549 32.500 -0.065 0.000 0.824 32 K HN 0.467 nan 8.250 nan 0.000 0.510 33 R N 0.079 120.370 120.500 -0.349 0.000 2.299 33 R HA 0.050 4.389 4.340 -0.002 0.000 0.197 33 R C -0.323 175.823 176.300 -0.257 0.000 0.971 33 R CA 0.386 56.278 56.100 -0.346 0.000 1.030 33 R CB 0.152 30.172 30.300 -0.466 0.000 0.932 33 R HN -0.032 nan 8.270 nan 0.000 0.477 34 F N 1.162 121.153 119.950 0.070 0.000 2.361 34 F HA 0.316 4.842 4.527 -0.002 0.000 0.364 34 F C 0.307 176.154 175.800 0.078 0.000 1.117 34 F CA -1.763 56.286 58.000 0.083 0.000 1.071 34 F CB 1.052 40.123 39.000 0.117 0.000 1.188 34 F HN -0.311 nan 8.300 nan 0.000 0.464 35 V N -0.561 119.495 119.914 0.236 0.000 3.040 35 V HA 0.795 4.914 4.120 -0.002 0.000 0.312 35 V C -0.773 175.402 176.094 0.135 0.000 1.115 35 V CA -1.085 61.309 62.300 0.156 0.000 0.998 35 V CB 2.023 33.907 31.823 0.100 0.000 1.042 35 V HN 0.539 nan 8.190 nan 0.000 0.433 36 D N 1.221 121.687 120.400 0.110 0.000 2.529 36 D HA 0.296 4.935 4.640 -0.002 0.000 0.273 36 D C 1.092 177.433 176.300 0.067 0.000 1.197 36 D CA -0.267 53.787 54.000 0.090 0.000 1.070 36 D CB 0.709 41.559 40.800 0.084 0.000 1.134 36 D HN 0.760 nan 8.370 nan 0.000 0.590 37 K N -0.651 119.781 120.400 0.054 0.000 2.160 37 K HA -0.223 4.096 4.320 -0.002 0.000 0.206 37 K C 0.821 177.444 176.600 0.037 0.000 1.047 37 K CA 1.532 57.844 56.287 0.041 0.000 0.930 37 K CB -0.409 32.111 32.500 0.033 0.000 0.720 37 K HN 0.472 nan 8.250 nan 0.000 0.450 38 E N 0.304 120.528 120.200 0.040 0.000 2.403 38 E HA 0.086 4.435 4.350 -0.002 0.000 0.188 38 E C 0.540 177.162 176.600 0.038 0.000 1.056 38 E CA 0.181 56.602 56.400 0.035 0.000 0.892 38 E CB 0.415 30.134 29.700 0.032 0.000 1.049 38 E HN 0.620 nan 8.360 nan 0.000 0.465 39 G N 1.966 110.793 108.800 0.044 0.000 2.189 39 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.267 39 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.267 39 G C -0.034 174.896 174.900 0.050 0.000 0.975 39 G CA 0.288 45.415 45.100 0.044 0.000 0.644 39 G HN 0.360 nan 8.290 nan 0.000 0.537 40 N N -0.392 118.343 118.700 0.058 0.000 2.518 40 N HA 0.473 5.211 4.740 -0.002 0.000 0.283 40 N C 0.495 176.059 175.510 0.090 0.000 1.119 40 N CA -0.652 52.437 53.050 0.065 0.000 0.983 40 N CB 1.729 40.252 38.487 0.061 0.000 1.139 40 N HN 0.071 nan 8.380 nan 0.000 0.465 41 V N 1.875 121.844 119.914 0.092 0.000 2.763 41 V HA -0.018 4.100 4.120 -0.002 0.000 0.306 41 V C 0.274 176.467 176.094 0.165 0.000 1.059 41 V CA -0.058 62.317 62.300 0.124 0.000 1.138 41 V CB 0.831 32.716 31.823 0.104 0.000 0.940 41 V HN 0.346 nan 8.190 nan 0.000 0.489 42 V N 7.629 127.681 119.914 0.230 0.000 2.304 42 V HA 0.272 4.390 4.120 -0.002 0.000 0.269 42 V C -1.687 174.600 176.094 0.321 0.000 1.036 42 V CA -1.377 61.079 62.300 0.260 0.000 0.840 42 V CB 1.021 32.996 31.823 0.254 0.000 1.036 42 V HN 0.814 nan 8.190 nan 0.000 0.466 43 P HA 0.243 nan 4.420 nan 0.000 0.274 43 P C -0.655 176.920 177.300 0.457 0.000 1.231 43 P CA -0.358 62.952 63.100 0.350 0.000 0.790 43 P CB 0.850 32.705 31.700 0.258 0.000 0.951 44 F N 0.818 120.865 119.950 0.161 0.000 2.389 44 F HA 0.318 4.845 4.527 -0.001 0.000 0.337 44 F C 1.057 176.929 175.800 0.120 0.000 1.112 44 F CA -0.607 57.406 58.000 0.022 0.000 1.192 44 F CB 0.204 39.190 39.000 -0.024 0.000 1.185 44 F HN 0.082 nan 8.300 nan 0.000 0.552 45 I N 4.102 124.749 120.570 0.128 0.000 2.355 45 I HA 0.259 4.428 4.170 -0.002 0.000 0.288 45 I C -0.882 175.254 176.117 0.031 0.000 0.999 45 I CA -0.418 60.982 61.300 0.166 0.000 1.163 45 I CB 0.796 38.872 38.000 0.126 0.000 1.316 45 I HN 0.269 nan 8.210 nan 0.000 0.454 46 F N 5.227 125.252 119.950 0.126 0.000 2.483 46 F HA 0.619 5.145 4.527 -0.001 0.000 0.329 46 F C 0.196 176.025 175.800 0.049 0.000 1.064 46 F CA -0.794 57.262 58.000 0.092 0.000 0.986 46 F CB 1.561 40.611 39.000 0.083 0.000 1.218 46 F HN 0.252 nan 8.300 nan 0.000 0.484 47 K N 1.576 122.113 120.400 0.228 0.000 2.635 47 K HA 0.593 4.911 4.320 -0.002 0.000 0.266 47 K C -1.188 175.469 176.600 0.096 0.000 1.033 47 K CA -0.537 55.823 56.287 0.123 0.000 0.919 47 K CB 1.279 33.825 32.500 0.076 0.000 1.289 47 K HN 0.814 nan 8.250 nan 0.000 0.463 48 A N 4.837 127.697 122.820 0.066 0.000 2.587 48 A HA 0.144 4.462 4.320 -0.002 0.000 0.233 48 A C 0.606 178.213 177.584 0.039 0.000 1.049 48 A CA 0.130 52.189 52.037 0.038 0.000 0.754 48 A CB -0.382 18.612 19.000 -0.009 0.000 0.977 48 A HN 0.719 nan 8.150 nan 0.000 0.509 49 I N -0.221 120.377 120.570 0.046 0.000 3.502 49 I HA 0.701 4.870 4.170 -0.002 0.000 0.302 49 I C 0.753 176.898 176.117 0.046 0.000 1.170 49 I CA -0.416 60.914 61.300 0.050 0.000 0.953 49 I CB 0.922 38.959 38.000 0.063 0.000 1.475 49 I HN 0.679 nan 8.210 nan 0.000 0.657 50 T N -1.922 112.663 114.554 0.053 0.000 2.874 50 T HA 0.255 4.604 4.350 -0.002 0.000 0.281 50 T C 0.869 175.614 174.700 0.075 0.000 0.994 50 T CA -0.268 61.863 62.100 0.051 0.000 1.015 50 T CB 1.266 70.162 68.868 0.047 0.000 1.028 50 T HN 0.676 nan 8.240 nan 0.000 0.523 51 T N 0.922 115.517 114.554 0.067 0.000 2.777 51 T HA -0.083 4.265 4.350 -0.002 0.000 0.266 51 T C 1.466 176.227 174.700 0.102 0.000 1.040 51 T CA 1.385 63.544 62.100 0.097 0.000 1.141 51 T CB -0.524 68.386 68.868 0.070 0.000 0.868 51 T HN 0.669 nan 8.240 nan 0.000 0.444 52 D N 0.733 121.177 120.400 0.075 0.000 2.123 52 D HA -0.091 4.548 4.640 -0.002 0.000 0.196 52 D C 2.331 178.680 176.300 0.081 0.000 0.992 52 D CA 0.982 55.022 54.000 0.068 0.000 0.833 52 D CB -0.223 40.608 40.800 0.050 0.000 0.954 52 D HN 0.098 nan 8.370 nan 0.000 0.455 53 R N 0.671 121.222 120.500 0.085 0.000 2.115 53 R HA 0.054 4.392 4.340 -0.002 0.000 0.230 53 R C 2.123 178.501 176.300 0.130 0.000 1.111 53 R CA 0.721 56.877 56.100 0.093 0.000 0.976 53 R CB -0.692 29.656 30.300 0.080 0.000 0.870 53 R HN 0.218 nan 8.270 nan 0.000 0.445 54 I N 0.525 121.192 120.570 0.162 0.000 2.493 54 I HA -0.215 3.954 4.170 -0.002 0.000 0.254 54 I C 1.325 177.601 176.117 0.265 0.000 1.160 54 I CA 1.143 62.586 61.300 0.238 0.000 1.445 54 I CB -0.244 37.930 38.000 0.291 0.000 1.086 54 I HN 0.151 nan 8.210 nan 0.000 0.433 55 D N 1.001 121.503 120.400 0.170 0.000 2.091 55 D HA -0.149 4.489 4.640 -0.002 0.000 0.199 55 D C 2.046 178.396 176.300 0.082 0.000 0.980 55 D CA 1.233 55.300 54.000 0.111 0.000 0.831 55 D CB -0.199 40.648 40.800 0.077 0.000 0.987 55 D HN 0.435 nan 8.370 nan 0.000 0.460 56 E N 0.604 120.854 120.200 0.084 0.000 2.153 56 E HA -0.120 4.229 4.350 -0.002 0.000 0.194 56 E C 2.341 178.991 176.600 0.083 0.000 0.988 56 E CA 0.427 56.865 56.400 0.064 0.000 0.811 56 E CB -0.141 29.595 29.700 0.061 0.000 0.746 56 E HN 0.279 nan 8.360 nan 0.000 0.466 57 L N 0.982 122.299 121.223 0.156 0.000 2.093 57 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 57 L C 2.701 179.676 176.870 0.174 0.000 1.085 57 L CA 1.075 56.052 54.840 0.229 0.000 0.755 57 L CB -0.277 41.986 42.059 0.340 0.000 0.904 57 L HN 0.169 nan 8.230 nan 0.000 0.435 58 E N 0.748 120.969 120.200 0.036 0.000 2.031 58 E HA -0.295 4.053 4.350 -0.002 0.000 0.193 58 E C 2.203 178.632 176.600 -0.286 0.000 0.994 58 E CA 1.468 57.561 56.400 -0.512 0.000 0.800 58 E CB 0.070 29.469 29.700 -0.501 0.000 0.752 58 E HN 0.319 nan 8.360 nan 0.000 0.447 59 K N 0.996 121.317 120.400 -0.130 0.000 2.020 59 K HA -0.275 4.044 4.320 -0.002 0.000 0.212 59 K C 2.040 178.599 176.600 -0.067 0.000 1.050 59 K CA 2.096 58.332 56.287 -0.085 0.000 0.929 59 K CB -0.253 32.225 32.500 -0.036 0.000 0.714 59 K HN 0.041 nan 8.250 nan 0.000 0.443 60 E N -0.013 120.170 120.200 -0.028 0.000 2.273 60 E HA -0.152 4.197 4.350 -0.002 0.000 0.198 60 E C 0.435 177.026 176.600 -0.016 0.000 1.002 60 E CA 1.091 57.490 56.400 -0.002 0.000 0.828 60 E CB 0.127 29.851 29.700 0.039 0.000 0.747 60 E HN 0.386 nan 8.360 nan 0.000 0.491 61 N N 0.361 119.024 118.700 -0.061 0.000 2.338 61 N HA 0.053 4.792 4.740 -0.002 0.000 0.251 61 N C -1.099 174.330 175.510 -0.135 0.000 1.199 61 N CA 0.181 53.187 53.050 -0.074 0.000 0.879 61 N CB 1.378 39.845 38.487 -0.032 0.000 1.159 61 N HN 0.002 nan 8.380 nan 0.000 0.514 62 T N -0.539 113.939 114.554 -0.127 0.000 2.887 62 T HA 0.735 5.084 4.350 -0.002 0.000 0.288 62 T C 0.222 174.876 174.700 -0.078 0.000 1.021 62 T CA -0.580 61.444 62.100 -0.126 0.000 1.000 62 T CB 2.461 71.236 68.868 -0.155 0.000 1.034 62 T HN 0.109 nan 8.240 nan 0.000 0.467 76 L N 3.417 124.577 121.223 -0.105 0.000 2.296 76 L HA 0.642 4.980 4.340 -0.002 0.000 0.286 76 L C -0.542 176.256 176.870 -0.120 0.000 1.023 76 L CA -0.423 54.325 54.840 -0.153 0.000 0.812 76 L CB 1.514 43.424 42.059 -0.247 0.000 1.223 76 L HN 0.445 nan 8.230 nan 0.000 0.421 77 D N 2.658 122.997 120.400 -0.102 0.000 2.470 77 D HA 0.109 4.747 4.640 -0.002 0.000 0.226 77 D C 0.682 176.944 176.300 -0.063 0.000 1.196 77 D CA 0.238 54.207 54.000 -0.052 0.000 0.979 77 D CB 0.924 41.712 40.800 -0.019 0.000 1.059 77 D HN 0.734 nan 8.370 nan 0.000 0.515 78 S N 2.904 118.552 115.700 -0.087 0.000 2.348 78 S HA -0.250 4.219 4.470 -0.002 0.000 0.221 78 S C 1.724 176.245 174.600 -0.132 0.000 1.033 78 S CA 0.945 59.031 58.200 -0.191 0.000 1.010 78 S CB -0.158 62.990 63.200 -0.086 0.000 0.891 78 S HN 0.504 nan 8.310 nan 0.000 0.442 79 Q N 1.366 121.193 119.800 0.044 0.000 2.082 79 Q HA -0.216 4.122 4.340 -0.002 0.000 0.211 79 Q C 2.256 178.332 176.000 0.125 0.000 1.002 79 Q CA 2.031 57.914 55.803 0.133 0.000 0.868 79 Q CB -0.234 28.572 28.738 0.112 0.000 0.931 79 Q HN 0.355 nan 8.270 nan 0.000 0.414 80 R N -0.824 119.728 120.500 0.087 0.000 2.075 80 R HA -0.108 4.230 4.340 -0.002 0.000 0.232 80 R C 1.972 178.339 176.300 0.112 0.000 1.126 80 R CA 1.516 57.677 56.100 0.101 0.000 0.963 80 R CB -0.916 29.429 30.300 0.075 0.000 0.858 80 R HN 0.409 nan 8.270 nan 0.000 0.435 81 F N 0.060 119.926 119.950 -0.140 0.000 2.069 81 F HA -0.236 4.290 4.527 -0.002 0.000 0.298 81 F C 1.418 177.141 175.800 -0.128 0.000 1.113 81 F CA 1.596 59.471 58.000 -0.208 0.000 1.214 81 F CB -0.824 37.917 39.000 -0.431 0.000 0.978 81 F HN 0.047 nan 8.300 nan 0.000 0.474 82 Y N 0.525 120.698 120.300 -0.213 0.000 2.242 82 Y HA -0.018 4.531 4.550 -0.001 0.000 0.291 82 Y C 2.694 178.454 175.900 -0.234 0.000 1.137 82 Y CA 0.759 58.637 58.100 -0.369 0.000 1.181 82 Y CB -1.676 36.654 38.460 -0.218 0.000 0.989 82 Y HN 0.183 nan 8.280 nan 0.000 0.527 83 A N 0.606 123.480 122.820 0.090 0.000 1.877 83 A HA -0.172 4.146 4.320 -0.002 0.000 0.216 83 A C 2.384 180.043 177.584 0.124 0.000 1.186 83 A CA 1.431 53.552 52.037 0.139 0.000 0.620 83 A CB -0.404 18.763 19.000 0.278 0.000 0.822 83 A HN 0.271 nan 8.150 nan 0.000 0.443 84 R N -0.201 120.356 120.500 0.094 0.000 2.096 84 R HA -0.070 4.269 4.340 -0.002 0.000 0.235 84 R C 2.012 178.339 176.300 0.045 0.000 1.127 84 R CA 1.451 57.612 56.100 0.101 0.000 0.968 84 R CB -0.873 29.487 30.300 0.100 0.000 0.861 84 R HN 0.629 nan 8.270 nan 0.000 0.440 85 I N 1.081 121.609 120.570 -0.070 0.000 2.163 85 I HA -0.270 3.899 4.170 -0.002 0.000 0.243 85 I C 2.685 178.763 176.117 -0.065 0.000 1.085 85 I CA 1.427 62.672 61.300 -0.092 0.000 1.347 85 I CB -0.560 37.316 38.000 -0.206 0.000 1.044 85 I HN 0.119 nan 8.210 nan 0.000 0.408 86 A N 0.518 123.231 122.820 -0.179 0.000 1.877 86 A HA -0.166 4.152 4.320 -0.002 0.000 0.216 86 A C 2.465 180.084 177.584 0.059 0.000 1.186 86 A CA 1.814 53.618 52.037 -0.388 0.000 0.620 86 A CB -1.059 17.148 19.000 -1.321 0.000 0.822 86 A HN 0.228 nan 8.150 nan 0.000 0.443 87 V N 0.201 120.316 119.914 0.334 0.000 2.282 87 V HA -0.315 3.804 4.120 -0.002 0.000 0.249 87 V C 2.427 178.657 176.094 0.226 0.000 1.057 87 V CA 2.524 65.124 62.300 0.501 0.000 1.032 87 V CB -0.797 31.277 31.823 0.419 0.000 0.645 87 V HN 0.674 nan 8.190 nan 0.000 0.447 88 E N -0.784 119.498 120.200 0.136 0.000 2.216 88 E HA -0.121 4.227 4.350 -0.002 0.000 0.192 88 E C 2.118 178.755 176.600 0.061 0.000 0.988 88 E CA 1.324 57.772 56.400 0.080 0.000 0.834 88 E CB -0.131 29.612 29.700 0.072 0.000 0.772 88 E HN 0.554 nan 8.360 nan 0.000 0.479 89 T N 0.437 115.034 114.554 0.072 0.000 3.055 89 T HA -0.017 4.331 4.350 -0.002 0.000 0.265 89 T C 0.679 175.427 174.700 0.080 0.000 1.111 89 T CA 0.644 62.802 62.100 0.096 0.000 1.118 89 T CB 0.140 69.084 68.868 0.125 0.000 0.909 89 T HN -0.008 nan 8.240 nan 0.000 0.501 90 T N 2.352 116.911 114.554 0.009 0.000 2.762 90 T HA 0.289 4.638 4.350 -0.002 0.000 0.303 90 T C 1.449 176.022 174.700 -0.212 0.000 0.977 90 T CA -0.381 61.601 62.100 -0.197 0.000 0.961 90 T CB 1.394 70.187 68.868 -0.125 0.000 0.944 90 T HN -0.066 nan 8.240 nan 0.000 0.481 91 V N 2.359 122.171 119.914 -0.171 0.000 2.379 91 V HA 0.005 4.123 4.120 -0.002 0.000 0.245 91 V C 0.337 176.360 176.094 -0.119 0.000 1.044 91 V CA 0.975 63.213 62.300 -0.104 0.000 1.036 91 V CB -0.485 31.320 31.823 -0.030 0.000 0.664 91 V HN 0.830 nan 8.190 nan 0.000 0.453 92 Y N 2.460 122.532 120.300 -0.380 0.000 2.330 92 Y HA 0.572 5.120 4.550 -0.002 0.000 0.324 92 Y C -3.072 172.357 175.900 -0.786 0.000 1.093 92 Y CA -3.182 54.640 58.100 -0.462 0.000 1.103 92 Y CB 2.182 40.471 38.460 -0.285 0.000 1.183 92 Y HN -0.028 nan 8.280 nan 0.000 0.433 93 P HA 0.161 nan 4.420 nan 0.000 0.286 93 P C -0.625 176.061 177.300 -1.022 0.000 1.261 93 P CA -0.261 62.141 63.100 -1.164 0.000 0.821 93 P CB 1.874 32.794 31.700 -1.300 0.000 1.013 94 T N 2.399 116.609 114.554 -0.572 0.000 2.733 94 T HA 0.281 4.630 4.350 -0.002 0.000 0.294 94 T C 0.630 175.118 174.700 -0.353 0.000 0.956 94 T CA -0.429 61.410 62.100 -0.434 0.000 0.987 94 T CB -0.694 68.066 68.868 -0.180 0.000 0.920 94 T HN 0.076 nan 8.240 nan 0.000 0.470 95 F N 3.463 123.335 119.950 -0.129 0.000 2.722 95 F HA 0.195 4.721 4.527 -0.003 0.000 0.298 95 F C 2.115 177.882 175.800 -0.056 0.000 1.175 95 F CA 0.433 58.360 58.000 -0.122 0.000 1.462 95 F CB -0.293 38.633 39.000 -0.123 0.000 1.111 95 F HN 0.595 nan 8.300 nan 0.000 0.592 96 K N 0.144 120.608 120.400 0.107 0.000 2.400 96 K HA 0.267 4.586 4.320 -0.002 0.000 0.194 96 K C 1.022 177.650 176.600 0.047 0.000 1.033 96 K CA 0.237 56.571 56.287 0.078 0.000 1.021 96 K CB 0.013 32.549 32.500 0.059 0.000 0.808 96 K HN 0.108 nan 8.250 nan 0.000 0.505 97 A N 2.069 124.904 122.820 0.024 0.000 2.567 97 A HA -0.080 4.239 4.320 -0.002 0.000 0.240 97 A C 1.207 178.811 177.584 0.034 0.000 1.053 97 A CA 0.191 52.236 52.037 0.014 0.000 0.755 97 A CB 0.362 19.356 19.000 -0.010 0.000 0.978 97 A HN 0.070 nan 8.150 nan 0.000 0.507 98 K N 1.895 122.311 120.400 0.027 0.000 2.074 98 K HA -0.206 4.112 4.320 -0.002 0.000 0.209 98 K C 1.708 178.330 176.600 0.037 0.000 1.048 98 K CA 2.460 58.766 56.287 0.030 0.000 0.926 98 K CB -0.231 32.281 32.500 0.021 0.000 0.713 98 K HN 0.847 nan 8.250 nan 0.000 0.444 99 E N -0.292 119.927 120.200 0.032 0.000 2.118 99 E HA -0.166 4.182 4.350 -0.002 0.000 0.195 99 E C 1.893 178.533 176.600 0.068 0.000 0.992 99 E CA 1.273 57.694 56.400 0.035 0.000 0.804 99 E CB -0.056 29.659 29.700 0.025 0.000 0.741 99 E HN 0.330 nan 8.360 nan 0.000 0.458 100 L N -0.139 121.138 121.223 0.090 0.000 2.131 100 L HA -0.072 4.266 4.340 -0.002 0.000 0.206 100 L C 2.671 179.652 176.870 0.186 0.000 1.087 100 L CA 0.664 55.609 54.840 0.176 0.000 0.767 100 L CB -0.200 41.947 42.059 0.146 0.000 0.917 100 L HN 0.047 nan 8.230 nan 0.000 0.441 101 R N -0.271 120.296 120.500 0.111 0.000 2.081 101 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 101 R C 2.208 178.559 176.300 0.085 0.000 1.131 101 R CA 1.037 57.192 56.100 0.092 0.000 0.960 101 R CB -0.098 30.239 30.300 0.062 0.000 0.856 101 R HN 0.370 nan 8.270 nan 0.000 0.436 102 E N 0.610 120.848 120.200 0.063 0.000 2.007 102 E HA -0.172 4.177 4.350 -0.002 0.000 0.194 102 E C 2.099 178.712 176.600 0.022 0.000 0.999 102 E CA 1.349 57.770 56.400 0.035 0.000 0.811 102 E CB -0.336 29.376 29.700 0.020 0.000 0.762 102 E HN 0.295 nan 8.360 nan 0.000 0.450 103 A N 0.629 123.457 122.820 0.014 0.000 1.917 103 A HA -0.201 4.118 4.320 -0.002 0.000 0.219 103 A C 1.813 179.279 177.584 -0.198 0.000 1.182 103 A CA 1.547 53.526 52.037 -0.096 0.000 0.633 103 A CB -0.839 18.084 19.000 -0.129 0.000 0.819 103 A HN 0.293 nan 8.150 nan 0.000 0.448 104 Y N -1.250 119.042 120.300 -0.013 0.000 2.466 104 Y HA 0.221 4.770 4.550 -0.002 0.000 0.272 104 Y C 0.320 176.208 175.900 -0.020 0.000 1.169 104 Y CA 0.344 58.432 58.100 -0.021 0.000 1.285 104 Y CB -0.021 38.418 38.460 -0.035 0.000 1.078 104 Y HN 0.307 nan 8.280 nan 0.000 0.523 105 K N 0.993 121.442 120.400 0.082 0.000 3.419 105 K HA -0.213 4.105 4.320 -0.002 0.000 0.272 105 K C -0.258 176.373 176.600 0.052 0.000 0.973 105 K CA 1.047 57.363 56.287 0.047 0.000 0.749 105 K CB -1.514 30.996 32.500 0.018 0.000 1.403 105 K HN 0.256 nan 8.250 nan 0.000 0.456 106 T N -1.468 113.122 114.554 0.059 0.000 3.159 106 T HA 0.218 4.567 4.350 -0.002 0.000 0.343 106 T C -0.197 174.526 174.700 0.038 0.000 1.364 106 T CA -0.846 61.278 62.100 0.039 0.000 1.102 106 T CB 1.365 70.249 68.868 0.027 0.000 1.263 106 T HN 0.127 nan 8.240 nan 0.000 0.477 107 E N 1.844 122.062 120.200 0.031 0.000 2.489 107 E HA 0.077 4.426 4.350 -0.002 0.000 0.193 107 E C -0.060 176.561 176.600 0.035 0.000 1.057 107 E CA 0.124 56.544 56.400 0.034 0.000 0.866 107 E CB 0.261 29.978 29.700 0.029 0.000 0.916 107 E HN 0.583 nan 8.360 nan 0.000 0.500 108 D N 1.194 121.611 120.400 0.028 0.000 2.365 108 D HA 0.083 4.721 4.640 -0.002 0.000 0.237 108 D C -1.821 174.495 176.300 0.026 0.000 1.190 108 D CA -2.469 51.549 54.000 0.030 0.000 0.867 108 D CB 1.478 42.290 40.800 0.020 0.000 1.050 108 D HN -0.185 nan 8.370 nan 0.000 0.491 109 P HA -0.157 nan 4.420 nan 0.000 0.217 109 P C 1.428 178.759 177.300 0.052 0.000 1.148 109 P CA 0.504 63.658 63.100 0.089 0.000 0.828 109 P CB 0.413 32.201 31.700 0.146 0.000 0.783 110 V N -0.326 119.633 119.914 0.074 0.000 2.548 110 V HA -0.170 3.949 4.120 -0.002 0.000 0.249 110 V C 2.487 178.561 176.094 -0.033 0.000 1.055 110 V CA 1.763 64.121 62.300 0.096 0.000 1.065 110 V CB -0.957 30.955 31.823 0.148 0.000 0.681 110 V HN 0.101 nan 8.190 nan 0.000 0.462 111 E N 0.424 120.586 120.200 -0.064 0.000 2.112 111 E HA -0.115 4.234 4.350 -0.002 0.000 0.190 111 E C 2.047 178.512 176.600 -0.226 0.000 0.979 111 E CA 1.112 57.443 56.400 -0.115 0.000 0.814 111 E CB -0.286 29.379 29.700 -0.058 0.000 0.762 111 E HN 0.339 nan 8.360 nan 0.000 0.460 112 V N 1.147 120.915 119.914 -0.244 0.000 2.287 112 V HA -0.311 3.808 4.120 -0.002 0.000 0.248 112 V C 2.426 178.024 176.094 -0.827 0.000 1.053 112 V CA 1.988 64.044 62.300 -0.406 0.000 1.027 112 V CB -1.169 30.514 31.823 -0.234 0.000 0.646 112 V HN 0.423 nan 8.190 nan 0.000 0.447 113 A N -0.218 121.969 122.820 -1.055 0.000 1.908 113 A HA -0.270 4.049 4.320 -0.002 0.000 0.218 113 A C 2.297 179.474 177.584 -0.679 0.000 1.181 113 A CA 2.188 53.299 52.037 -1.542 0.000 0.627 113 A CB -0.481 17.818 19.000 -1.168 0.000 0.818 113 A HN 0.569 nan 8.150 nan 0.000 0.445 114 K N -0.731 119.427 120.400 -0.404 0.000 2.148 114 K HA -0.086 4.233 4.320 -0.002 0.000 0.204 114 K C 2.228 178.654 176.600 -0.291 0.000 1.050 114 K CA 1.339 57.397 56.287 -0.382 0.000 0.942 114 K CB -0.135 32.116 32.500 -0.415 0.000 0.724 114 K HN 0.428 nan 8.250 nan 0.000 0.446 115 R N 0.187 120.494 120.500 -0.321 0.000 2.119 115 R HA -0.020 4.319 4.340 -0.002 0.000 0.222 115 R C 2.216 178.342 176.300 -0.290 0.000 1.088 115 R CA 0.730 56.695 56.100 -0.225 0.000 0.984 115 R CB -0.137 30.088 30.300 -0.125 0.000 0.884 115 R HN -0.015 nan 8.270 nan 0.000 0.447 116 V N 1.461 121.048 119.914 -0.545 0.000 2.283 116 V HA -0.110 4.008 4.120 -0.002 0.000 0.243 116 V C 1.407 177.538 176.094 0.062 0.000 1.039 116 V CA 1.213 63.317 62.300 -0.326 0.000 1.016 116 V CB -0.181 31.407 31.823 -0.390 0.000 0.650 116 V HN 0.215 nan 8.190 nan 0.000 0.449 117 L N 1.800 123.016 121.223 -0.012 0.000 2.583 117 L HA 0.137 4.476 4.340 -0.002 0.000 0.239 117 L C 1.537 178.448 176.870 0.069 0.000 1.347 117 L CA -0.012 54.907 54.840 0.132 0.000 1.246 117 L CB -0.003 42.132 42.059 0.127 0.000 1.496 117 L HN 0.317 nan 8.230 nan 0.000 0.413 118 S N -1.425 114.304 115.700 0.048 0.000 2.603 118 S HA 0.032 4.500 4.470 -0.002 0.000 0.229 118 S C 0.656 175.262 174.600 0.009 0.000 0.972 118 S CA -0.275 57.931 58.200 0.009 0.000 0.935 118 S CB -0.202 63.015 63.200 0.029 0.000 0.769 118 S HN 0.218 nan 8.310 nan 0.000 0.536 119 V N 2.251 122.178 119.914 0.022 0.000 2.370 119 V HA 0.514 4.633 4.120 -0.002 0.000 0.279 119 V C 1.789 177.914 176.094 0.051 0.000 1.029 119 V CA -0.263 62.046 62.300 0.015 0.000 0.870 119 V CB 0.630 32.446 31.823 -0.011 0.000 0.984 119 V HN 0.400 nan 8.190 nan 0.000 0.451 120 G N 4.608 113.434 108.800 0.044 0.000 2.732 120 G HA2 -0.302 3.656 3.960 -0.002 0.000 0.222 120 G HA3 -0.302 3.656 3.960 -0.002 0.000 0.222 120 G C 1.591 176.565 174.900 0.122 0.000 1.203 120 G CA 1.355 46.502 45.100 0.077 0.000 0.780 120 G HN 0.969 nan 8.290 nan 0.000 0.621 121 G N 0.491 109.335 108.800 0.074 0.000 2.469 121 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.219 121 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.219 121 G C 1.668 176.617 174.900 0.082 0.000 1.150 121 G CA 1.394 46.533 45.100 0.066 0.000 0.763 121 G HN 0.593 nan 8.290 nan 0.000 0.561 122 E N -0.777 119.469 120.200 0.077 0.000 2.051 122 E HA -0.171 4.178 4.350 -0.002 0.000 0.192 122 E C 2.144 178.843 176.600 0.164 0.000 0.991 122 E CA 1.095 57.538 56.400 0.072 0.000 0.799 122 E CB -0.305 29.414 29.700 0.031 0.000 0.748 122 E HN 0.558 nan 8.360 nan 0.000 0.449 123 Y N 1.241 121.599 120.300 0.097 0.000 2.181 123 Y HA -0.242 4.306 4.550 -0.003 0.000 0.288 123 Y C 2.259 178.320 175.900 0.269 0.000 1.146 123 Y CA 1.510 59.723 58.100 0.188 0.000 1.164 123 Y CB -0.312 38.214 38.460 0.110 0.000 0.982 123 Y HN 0.008 nan 8.280 nan 0.000 0.515 124 A N 0.219 123.177 122.820 0.229 0.000 1.930 124 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 124 A C 2.034 179.637 177.584 0.033 0.000 1.175 124 A CA 1.777 53.884 52.037 0.117 0.000 0.627 124 A CB -0.689 18.385 19.000 0.123 0.000 0.815 124 A HN 0.549 nan 8.150 nan 0.000 0.443 125 N N -1.301 117.435 118.700 0.060 0.000 2.188 125 N HA -0.168 4.571 4.740 -0.002 0.000 0.184 125 N C 1.366 176.912 175.510 0.060 0.000 1.018 125 N CA 1.450 54.518 53.050 0.029 0.000 0.858 125 N CB -0.564 37.939 38.487 0.026 0.000 0.989 125 N HN 0.798 nan 8.380 nan 0.000 0.426 126 W N 1.937 123.186 121.300 -0.084 0.000 2.355 126 W HA -0.023 4.635 4.660 -0.003 0.000 0.309 126 W C 1.859 178.381 176.519 0.006 0.000 1.206 126 W CA 0.983 58.338 57.345 0.017 0.000 1.284 126 W CB -0.616 28.849 29.460 0.009 0.000 1.145 126 W HN -0.031 nan 8.180 nan 0.000 0.502 127 L N 1.037 122.104 121.223 -0.261 0.000 1.989 127 L HA -0.329 4.009 4.340 -0.002 0.000 0.211 127 L C 2.444 179.094 176.870 -0.366 0.000 1.071 127 L CA 1.928 56.465 54.840 -0.505 0.000 0.749 127 L CB -1.075 40.791 42.059 -0.321 0.000 0.890 127 L HN 0.080 nan 8.230 nan 0.000 0.431 128 N N 0.022 118.583 118.700 -0.232 0.000 2.120 128 N HA -0.218 4.521 4.740 -0.002 0.000 0.188 128 N C 1.767 177.135 175.510 -0.238 0.000 1.024 128 N CA 1.135 54.059 53.050 -0.209 0.000 0.852 128 N CB -0.270 38.133 38.487 -0.141 0.000 1.003 128 N HN 0.187 nan 8.380 nan 0.000 0.424 129 K N 1.419 121.656 120.400 -0.271 0.000 2.063 129 K HA 0.007 4.325 4.320 -0.002 0.000 0.208 129 K C 1.878 178.197 176.600 -0.467 0.000 1.048 129 K CA 1.306 57.342 56.287 -0.419 0.000 0.928 129 K CB -0.460 31.658 32.500 -0.636 0.000 0.713 129 K HN 0.128 nan 8.250 nan 0.000 0.442 130 A N 0.844 123.441 122.820 -0.372 0.000 1.877 130 A HA -0.134 4.184 4.320 -0.002 0.000 0.216 130 A C 2.020 179.515 177.584 -0.148 0.000 1.186 130 A CA 1.666 53.590 52.037 -0.188 0.000 0.620 130 A CB -0.629 18.203 19.000 -0.280 0.000 0.822 130 A HN 0.301 nan 8.150 nan 0.000 0.443 131 I N 0.204 120.662 120.570 -0.187 0.000 2.286 131 I HA -0.219 3.949 4.170 -0.002 0.000 0.248 131 I C 2.422 178.537 176.117 -0.004 0.000 1.115 131 I CA 1.850 63.100 61.300 -0.083 0.000 1.392 131 I CB -1.425 36.442 38.000 -0.220 0.000 1.065 131 I HN 0.621 nan 8.210 nan 0.000 0.418 132 E N 1.053 121.188 120.200 -0.109 0.000 2.072 132 E HA -0.191 4.157 4.350 -0.002 0.000 0.191 132 E C 2.273 178.797 176.600 -0.127 0.000 0.985 132 E CA 0.895 57.228 56.400 -0.111 0.000 0.801 132 E CB 0.126 29.735 29.700 -0.152 0.000 0.750 132 E HN 0.241 nan 8.360 nan 0.000 0.452 133 I N 2.147 122.623 120.570 -0.157 0.000 2.530 133 I HA -0.212 3.957 4.170 -0.002 0.000 0.257 133 I C 1.275 177.337 176.117 -0.092 0.000 1.179 133 I CA 1.057 62.283 61.300 -0.122 0.000 1.440 133 I CB -0.831 37.109 38.000 -0.101 0.000 1.087 133 I HN 0.179 nan 8.210 nan 0.000 0.440 134 N N 0.946 119.590 118.700 -0.094 0.000 2.322 134 N HA 0.088 4.826 4.740 -0.002 0.000 0.216 134 N C 1.353 176.580 175.510 -0.471 0.000 1.144 134 N CA 0.746 53.693 53.050 -0.172 0.000 0.830 134 N CB 0.594 39.084 38.487 0.005 0.000 1.034 134 N HN 0.435 nan 8.380 nan 0.000 0.484 135 G N 0.751 109.357 108.800 -0.324 0.000 2.175 135 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.265 135 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.265 135 G C -0.132 174.534 174.900 -0.390 0.000 0.979 135 G CA -0.049 44.843 45.100 -0.347 0.000 0.663 135 G HN 0.290 nan 8.290 nan 0.000 0.533 136 F N 1.435 121.347 119.950 -0.062 0.000 2.444 136 F HA 0.518 5.043 4.527 -0.003 0.000 0.360 136 F C 1.004 176.759 175.800 -0.076 0.000 1.106 136 F CA -0.202 57.761 58.000 -0.062 0.000 1.170 136 F CB 0.480 39.433 39.000 -0.079 0.000 1.113 136 F HN 0.432 nan 8.300 nan 0.000 0.521 137 D N 0.000 120.465 120.400 0.108 0.000 6.856 137 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 137 D CA 0.000 54.023 54.000 0.039 0.000 0.868 137 D CB 0.000 40.817 40.800 0.029 0.000 0.688 137 D HN 0.000 nan 8.370 nan 0.000 0.683