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 1ltg_1_A DATA FIRST_RESID 4 DATA SEQUENCE RLYKADSRPP DEIKRSGGLM PRGHNEYFDR GTQMNINLYD HARXXXXXXX DATA SEQUENCE XXXDGYVSTS LSLRSAHLAG QSILSGYSTY YIYVIATAPN MFNVNDVLGV DATA SEQUENCE YSPHPYEQEV SALGGIPYSQ IYGWYRVNFG VIDERLHRNR EYRDRYYRNL DATA SEQUENCE NIAPAEDGYR LAGFPPDHQA WREEPWIHHA PQGCG 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.116 176.300 -0.307 0.000 0.893 4 R CA 0.000 55.938 56.100 -0.270 0.000 0.921 4 R CB 0.000 30.066 30.300 -0.389 0.000 0.687 5 L N 1.685 122.658 121.223 -0.415 0.000 2.333 5 L HA 0.663 5.004 4.340 0.001 0.000 0.263 5 L C -1.231 175.351 176.870 -0.480 0.000 1.014 5 L CA -0.840 53.843 54.840 -0.262 0.000 0.820 5 L CB 1.752 43.762 42.059 -0.082 0.000 1.352 5 L HN 0.528 nan 8.230 nan 0.000 0.421 6 Y N 0.809 121.162 120.300 0.090 0.000 2.376 6 Y HA 0.549 5.100 4.550 0.001 0.000 0.340 6 Y C -0.268 175.719 175.900 0.146 0.000 0.965 6 Y CA -0.712 57.468 58.100 0.133 0.000 1.078 6 Y CB 2.004 40.535 38.460 0.118 0.000 1.193 6 Y HN 0.281 nan 8.280 nan 0.000 0.452 7 K N 2.420 122.993 120.400 0.288 0.000 2.541 7 K HA 0.781 5.102 4.320 0.001 0.000 0.250 7 K C -1.409 175.383 176.600 0.320 0.000 0.950 7 K CA -0.632 55.808 56.287 0.256 0.000 0.805 7 K CB 1.322 33.942 32.500 0.200 0.000 1.166 7 K HN 0.811 nan 8.250 nan 0.000 0.430 8 A N 3.629 126.604 122.820 0.259 0.000 2.366 8 A HA 0.347 4.668 4.320 0.001 0.000 0.272 8 A C -0.647 177.046 177.584 0.182 0.000 1.135 8 A CA -0.076 52.124 52.037 0.272 0.000 0.804 8 A CB 0.495 19.632 19.000 0.228 0.000 1.064 8 A HN 0.824 nan 8.150 nan 0.000 0.499 9 D N 0.931 121.486 120.400 0.257 0.000 2.753 9 D HA 0.272 4.913 4.640 0.001 0.000 0.224 9 D C 0.938 177.340 176.300 0.170 0.000 1.213 9 D CA 0.305 54.410 54.000 0.176 0.000 0.833 9 D CB 2.194 43.177 40.800 0.306 0.000 1.607 9 D HN 0.432 nan 8.370 nan 0.000 0.463 10 S N 1.993 117.681 115.700 -0.019 0.000 2.395 10 S HA 0.017 4.488 4.470 0.001 0.000 0.225 10 S C 0.959 175.666 174.600 0.178 0.000 1.027 10 S CA 0.185 58.369 58.200 -0.025 0.000 0.965 10 S CB -0.054 62.981 63.200 -0.274 0.000 0.812 10 S HN 0.385 nan 8.310 nan 0.000 0.482 11 R N 3.548 124.127 120.500 0.132 0.000 2.480 11 R HA 0.182 4.523 4.340 0.001 0.000 0.303 11 R C -2.441 173.896 176.300 0.061 0.000 0.985 11 R CA -1.176 54.976 56.100 0.087 0.000 1.051 11 R CB -0.255 30.053 30.300 0.014 0.000 0.935 11 R HN 0.390 nan 8.270 nan 0.000 0.410 12 P HA 0.056 nan 4.420 nan 0.000 0.272 12 P C -2.269 174.759 177.300 -0.453 0.000 1.223 12 P CA -1.525 61.344 63.100 -0.386 0.000 0.784 12 P CB 0.756 32.357 31.700 -0.165 0.000 0.923 13 P HA -0.180 nan 4.420 nan 0.000 0.218 13 P C 0.849 177.936 177.300 -0.356 0.000 1.146 13 P CA 1.529 64.232 63.100 -0.662 0.000 0.813 13 P CB -0.082 30.784 31.700 -1.391 0.000 0.778 14 D N -0.631 119.602 120.400 -0.278 0.000 2.144 14 D HA -0.173 4.467 4.640 0.001 0.000 0.199 14 D C 1.910 178.101 176.300 -0.181 0.000 0.984 14 D CA 1.043 54.935 54.000 -0.180 0.000 0.834 14 D CB -0.565 40.164 40.800 -0.118 0.000 0.955 14 D HN 0.355 nan 8.370 nan 0.000 0.465 15 E N 0.239 120.336 120.200 -0.171 0.000 2.028 15 E HA -0.129 4.221 4.350 0.001 0.000 0.190 15 E C 2.101 178.598 176.600 -0.172 0.000 0.984 15 E CA 0.421 56.737 56.400 -0.140 0.000 0.800 15 E CB 0.104 29.743 29.700 -0.103 0.000 0.758 15 E HN -0.029 nan 8.360 nan 0.000 0.448 16 I N 1.891 122.340 120.570 -0.201 0.000 2.236 16 I HA -0.299 3.872 4.170 0.001 0.000 0.249 16 I C 2.433 178.410 176.117 -0.234 0.000 1.102 16 I CA 1.548 62.728 61.300 -0.201 0.000 1.365 16 I CB -1.108 36.711 38.000 -0.302 0.000 1.051 16 I HN 0.209 nan 8.210 nan 0.000 0.420 17 K N 0.592 120.739 120.400 -0.423 0.000 2.062 17 K HA -0.181 4.139 4.320 0.001 0.000 0.205 17 K C 2.270 178.601 176.600 -0.449 0.000 1.051 17 K CA 0.934 56.707 56.287 -0.857 0.000 0.941 17 K CB 0.043 32.014 32.500 -0.881 0.000 0.719 17 K HN -0.061 nan 8.250 nan 0.000 0.440 18 R N 0.357 120.693 120.500 -0.274 0.000 2.127 18 R HA -0.012 4.329 4.340 0.001 0.000 0.238 18 R C 1.467 177.683 176.300 -0.140 0.000 1.134 18 R CA 1.838 57.835 56.100 -0.172 0.000 0.975 18 R CB -0.106 30.119 30.300 -0.125 0.000 0.865 18 R HN 0.077 nan 8.270 nan 0.000 0.447 19 S N -1.497 114.115 115.700 -0.146 0.000 2.556 19 S HA 0.244 4.714 4.470 0.001 0.000 0.216 19 S C 0.960 175.504 174.600 -0.093 0.000 0.970 19 S CA 0.337 58.476 58.200 -0.101 0.000 0.912 19 S CB 1.074 64.224 63.200 -0.083 0.000 0.790 19 S HN 0.610 nan 8.310 nan 0.000 0.504 20 G N 1.044 109.766 108.800 -0.131 0.000 2.168 20 G HA2 0.006 3.967 3.960 0.001 0.000 0.263 20 G HA3 0.006 3.967 3.960 0.001 0.000 0.263 20 G C 0.423 175.248 174.900 -0.125 0.000 0.977 20 G CA 0.037 45.077 45.100 -0.100 0.000 0.659 20 G HN 1.194 nan 8.290 nan 0.000 0.533 21 G N -1.863 106.883 108.800 -0.091 0.000 2.356 21 G HA2 0.432 4.393 3.960 0.001 0.000 0.288 21 G HA3 0.432 4.393 3.960 0.001 0.000 0.288 21 G C -0.894 173.931 174.900 -0.124 0.000 1.302 21 G CA -0.475 44.557 45.100 -0.113 0.000 0.887 21 G HN 0.952 nan 8.290 nan 0.000 0.521 22 L N 1.566 122.692 121.223 -0.162 0.000 2.342 22 L HA 0.413 4.754 4.340 0.001 0.000 0.285 22 L C 0.623 177.462 176.870 -0.052 0.000 1.095 22 L CA -0.454 54.296 54.840 -0.149 0.000 0.843 22 L CB 0.664 42.617 42.059 -0.177 0.000 1.201 22 L HN 0.417 nan 8.230 nan 0.000 0.445 23 M N 5.667 125.260 119.600 -0.011 0.000 2.291 23 M HA 0.437 4.917 4.480 0.001 0.000 0.324 23 M C -1.902 174.417 176.300 0.032 0.000 1.148 23 M CA -2.446 52.885 55.300 0.052 0.000 1.104 23 M CB 0.677 33.327 32.600 0.084 0.000 1.483 23 M HN 0.251 nan 8.290 nan 0.000 0.467 24 P HA 0.212 nan 4.420 nan 0.000 0.277 24 P C -0.752 176.566 177.300 0.031 0.000 1.276 24 P CA -0.533 62.576 63.100 0.014 0.000 0.788 24 P CB 0.726 32.403 31.700 -0.038 0.000 1.114 25 R N -0.494 120.025 120.500 0.032 0.000 2.340 25 R HA 0.424 4.765 4.340 0.001 0.000 0.300 25 R C 0.584 176.902 176.300 0.030 0.000 1.069 25 R CA 0.610 56.731 56.100 0.035 0.000 0.984 25 R CB -0.468 29.852 30.300 0.033 0.000 1.003 25 R HN 0.857 nan 8.270 nan 0.000 0.459 26 G N 2.780 111.608 108.800 0.047 0.000 2.145 26 G HA2 -0.157 3.804 3.960 0.001 0.000 0.145 26 G HA3 -0.157 3.804 3.960 0.001 0.000 0.145 26 G C -1.035 173.937 174.900 0.120 0.000 1.017 26 G CA -0.334 44.796 45.100 0.049 0.000 0.682 26 G HN 0.711 nan 8.290 nan 0.000 0.504 27 H N -0.755 118.305 119.070 -0.017 0.000 3.042 27 H HA 0.418 4.975 4.556 0.001 0.000 0.345 27 H C 0.891 176.209 175.328 -0.016 0.000 1.052 27 H CA -0.442 55.591 56.048 -0.026 0.000 1.311 27 H CB 0.866 30.608 29.762 -0.033 0.000 1.810 27 H HN 0.164 nan 8.280 nan 0.000 0.505 28 N N 1.787 120.482 118.700 -0.009 0.000 2.368 28 N HA -0.008 4.733 4.740 0.001 0.000 0.176 28 N C 0.218 175.698 175.510 -0.050 0.000 1.021 28 N CA 0.297 53.334 53.050 -0.023 0.000 0.888 28 N CB 0.845 39.313 38.487 -0.033 0.000 0.995 28 N HN 0.654 nan 8.380 nan 0.000 0.437 29 E N -0.594 119.531 120.200 -0.124 0.000 2.460 29 E HA 0.003 4.354 4.350 0.001 0.000 0.277 29 E C -0.353 176.083 176.600 -0.272 0.000 1.010 29 E CA -0.741 55.586 56.400 -0.121 0.000 0.838 29 E CB 0.484 30.134 29.700 -0.084 0.000 1.448 29 E HN -0.025 nan 8.360 nan 0.000 0.462 30 Y N 0.510 120.585 120.300 -0.376 0.000 2.293 30 Y HA 0.056 4.607 4.550 0.001 0.000 0.291 30 Y C 1.021 176.518 175.900 -0.670 0.000 1.137 30 Y CA 1.332 59.126 58.100 -0.511 0.000 1.202 30 Y CB 0.062 38.185 38.460 -0.561 0.000 0.990 30 Y HN 0.391 nan 8.280 nan 0.000 0.537 31 F N 0.217 119.977 119.950 -0.317 0.000 2.660 31 F HA 0.167 4.694 4.527 0.001 0.000 0.297 31 F C 0.194 175.813 175.800 -0.302 0.000 1.132 31 F CA -0.694 57.117 58.000 -0.315 0.000 1.372 31 F CB -0.581 38.339 39.000 -0.133 0.000 1.003 31 F HN -0.063 nan 8.300 nan 0.000 0.524 32 D N 1.083 121.251 120.400 -0.386 0.000 2.359 32 D HA 0.049 4.689 4.640 0.001 0.000 0.250 32 D C 1.142 177.375 176.300 -0.110 0.000 1.264 32 D CA -0.018 53.831 54.000 -0.251 0.000 0.911 32 D CB 0.624 41.231 40.800 -0.322 0.000 1.056 32 D HN 0.075 nan 8.370 nan 0.000 0.499 33 R N 3.149 123.644 120.500 -0.008 0.000 2.334 33 R HA 0.184 4.525 4.340 0.001 0.000 0.220 33 R C 1.673 177.989 176.300 0.027 0.000 0.917 33 R CA 0.191 56.315 56.100 0.039 0.000 1.073 33 R CB -0.126 30.191 30.300 0.028 0.000 1.056 33 R HN 0.486 nan 8.270 nan 0.000 0.506 34 G N 1.411 110.218 108.800 0.011 0.000 2.434 34 G HA2 -0.160 3.801 3.960 0.001 0.000 0.214 34 G HA3 -0.160 3.801 3.960 0.001 0.000 0.214 34 G C 0.299 175.212 174.900 0.022 0.000 1.202 34 G CA 0.476 45.582 45.100 0.010 0.000 0.788 34 G HN 0.242 nan 8.290 nan 0.000 0.539 35 T N 1.315 115.891 114.554 0.037 0.000 2.780 35 T HA 0.460 4.811 4.350 0.001 0.000 0.294 35 T C -0.317 174.418 174.700 0.058 0.000 0.949 35 T CA -0.074 62.053 62.100 0.044 0.000 1.074 35 T CB 1.773 70.672 68.868 0.052 0.000 0.910 35 T HN 0.185 nan 8.240 nan 0.000 0.501 36 Q N 3.276 123.097 119.800 0.034 0.000 2.278 36 Q HA 0.425 4.765 4.340 0.001 0.000 0.257 36 Q C 0.192 176.195 176.000 0.006 0.000 0.928 36 Q CA -0.617 55.199 55.803 0.022 0.000 0.932 36 Q CB 1.167 29.913 28.738 0.013 0.000 1.221 36 Q HN 0.677 nan 8.270 nan 0.000 0.434 37 M N 1.089 120.676 119.600 -0.021 0.000 2.274 37 M HA 0.317 4.798 4.480 0.001 0.000 0.344 37 M C -0.199 176.080 176.300 -0.034 0.000 1.161 37 M CA -0.416 54.861 55.300 -0.038 0.000 1.126 37 M CB 0.824 33.364 32.600 -0.100 0.000 1.522 37 M HN 0.469 nan 8.290 nan 0.000 0.461 38 N N 3.090 121.785 118.700 -0.009 0.000 2.497 38 N HA 0.255 4.995 4.740 0.001 0.000 0.268 38 N C -1.624 173.888 175.510 0.004 0.000 1.171 38 N CA -0.138 52.916 53.050 0.007 0.000 0.948 38 N CB 0.650 39.154 38.487 0.029 0.000 1.069 38 N HN 0.727 nan 8.380 nan 0.000 0.460 39 I N 3.203 123.776 120.570 0.005 0.000 2.390 39 I HA 0.227 4.398 4.170 0.001 0.000 0.283 39 I C -0.265 175.928 176.117 0.127 0.000 1.016 39 I CA -0.656 60.649 61.300 0.008 0.000 1.151 39 I CB 1.119 39.058 38.000 -0.103 0.000 1.293 39 I HN 0.492 nan 8.210 nan 0.000 0.458 40 N N 5.903 124.750 118.700 0.246 0.000 2.425 40 N HA 0.173 4.914 4.740 0.001 0.000 0.289 40 N C -0.106 175.497 175.510 0.154 0.000 1.074 40 N CA -0.494 52.670 53.050 0.190 0.000 0.905 40 N CB 2.367 40.920 38.487 0.111 0.000 1.586 40 N HN 0.415 nan 8.380 nan 0.000 0.490 41 L N 4.892 126.093 121.223 -0.037 0.000 2.044 41 L HA 0.060 4.400 4.340 0.001 0.000 0.205 41 L C 1.830 178.550 176.870 -0.250 0.000 1.075 41 L CA 1.751 56.342 54.840 -0.416 0.000 0.747 41 L CB -1.243 40.512 42.059 -0.507 0.000 0.903 41 L HN 0.728 nan 8.230 nan 0.000 0.435 42 Y N 0.619 120.688 120.300 -0.385 0.000 2.165 42 Y HA -0.259 4.292 4.550 0.001 0.000 0.286 42 Y C 2.261 178.036 175.900 -0.208 0.000 1.155 42 Y CA 2.079 59.940 58.100 -0.399 0.000 1.164 42 Y CB -0.389 37.734 38.460 -0.562 0.000 0.978 42 Y HN 0.328 nan 8.280 nan 0.000 0.513 43 D N -1.599 118.717 120.400 -0.139 0.000 2.144 43 D HA -0.163 4.477 4.640 0.001 0.000 0.200 43 D C 2.041 178.269 176.300 -0.119 0.000 0.978 43 D CA 1.685 55.596 54.000 -0.147 0.000 0.833 43 D CB -0.544 40.248 40.800 -0.014 0.000 0.961 43 D HN 0.525 nan 8.370 nan 0.000 0.470 44 H N 0.697 119.687 119.070 -0.134 0.000 2.352 44 H HA -0.020 4.536 4.556 0.001 0.000 0.299 44 H C 1.722 176.968 175.328 -0.138 0.000 1.097 44 H CA 2.140 58.123 56.048 -0.107 0.000 1.311 44 H CB -0.165 29.506 29.762 -0.151 0.000 1.377 44 H HN 0.052 nan 8.280 nan 0.000 0.504 45 A N 0.850 123.473 122.820 -0.328 0.000 2.119 45 A HA 0.036 4.357 4.320 0.001 0.000 0.217 45 A C 1.515 178.965 177.584 -0.224 0.000 1.153 45 A CA 0.388 52.244 52.037 -0.302 0.000 0.692 45 A CB -0.158 18.727 19.000 -0.191 0.000 0.799 45 A HN 0.380 nan 8.150 nan 0.000 0.458 58 G N 0.462 109.291 108.800 0.049 0.000 2.189 58 G HA2 -0.344 3.616 3.960 0.001 0.000 0.267 58 G HA3 -0.344 3.616 3.960 0.001 0.000 0.267 58 G C -0.013 174.732 174.900 -0.258 0.000 0.975 58 G CA 0.578 45.600 45.100 -0.129 0.000 0.644 58 G HN 0.370 nan 8.290 nan 0.000 0.537 59 Y N -0.778 119.369 120.300 -0.255 0.000 2.487 59 Y HA 0.588 5.139 4.550 0.001 0.000 0.337 59 Y C 0.504 176.182 175.900 -0.370 0.000 1.076 59 Y CA -0.595 57.245 58.100 -0.434 0.000 1.115 59 Y CB 2.317 40.248 38.460 -0.882 0.000 1.235 59 Y HN 0.491 nan 8.280 nan 0.000 0.468 60 V N -0.750 119.137 119.914 -0.044 0.000 2.540 60 V HA 0.599 4.720 4.120 0.001 0.000 0.302 60 V C -0.453 175.690 176.094 0.081 0.000 1.035 60 V CA -1.094 61.230 62.300 0.039 0.000 0.873 60 V CB 1.354 33.197 31.823 0.033 0.000 0.992 60 V HN 0.735 nan 8.190 nan 0.000 0.428 61 S N 3.735 119.533 115.700 0.162 0.000 2.481 61 S HA 0.556 5.027 4.470 0.001 0.000 0.276 61 S C 0.544 175.217 174.600 0.123 0.000 1.247 61 S CA -0.143 58.165 58.200 0.179 0.000 1.053 61 S CB 0.570 63.890 63.200 0.201 0.000 0.925 61 S HN 1.169 nan 8.310 nan 0.000 0.491 62 T N 0.448 115.069 114.554 0.111 0.000 2.942 62 T HA 0.711 5.062 4.350 0.001 0.000 0.289 62 T C -0.057 174.713 174.700 0.115 0.000 1.044 62 T CA -0.840 61.324 62.100 0.107 0.000 1.023 62 T CB 1.351 70.263 68.868 0.074 0.000 1.123 62 T HN 0.343 nan 8.240 nan 0.000 0.512 63 S N 0.338 116.126 115.700 0.147 0.000 2.681 63 S HA 0.503 4.974 4.470 0.001 0.000 0.299 63 S C 1.020 175.739 174.600 0.197 0.000 1.113 63 S CA -0.955 57.340 58.200 0.158 0.000 1.013 63 S CB 1.149 64.450 63.200 0.169 0.000 1.076 63 S HN 0.666 nan 8.310 nan 0.000 0.534 64 L N 1.191 122.518 121.223 0.172 0.000 2.509 64 L HA 0.191 4.532 4.340 0.001 0.000 0.222 64 L C 0.819 177.838 176.870 0.248 0.000 1.123 64 L CA 0.176 55.128 54.840 0.186 0.000 0.856 64 L CB 0.004 42.131 42.059 0.114 0.000 0.985 64 L HN 0.689 nan 8.230 nan 0.000 0.456 65 S N -2.351 113.457 115.700 0.181 0.000 2.618 65 S HA 0.307 4.778 4.470 0.001 0.000 0.277 65 S C 0.201 174.622 174.600 -0.298 0.000 1.138 65 S CA -0.747 57.412 58.200 -0.069 0.000 0.844 65 S CB 1.872 65.034 63.200 -0.064 0.000 1.127 65 S HN -0.116 nan 8.310 nan 0.000 0.474 66 L N 1.476 122.219 121.223 -0.801 0.000 2.017 66 L HA 0.104 4.445 4.340 0.001 0.000 0.208 66 L C 2.637 179.375 176.870 -0.220 0.000 1.073 66 L CA 2.204 56.640 54.840 -0.674 0.000 0.745 66 L CB -1.326 40.275 42.059 -0.764 0.000 0.894 66 L HN 0.993 nan 8.230 nan 0.000 0.432 67 R N -0.015 120.384 120.500 -0.167 0.000 2.122 67 R HA -0.185 4.156 4.340 0.001 0.000 0.236 67 R C 2.210 178.528 176.300 0.030 0.000 1.129 67 R CA 2.500 58.580 56.100 -0.032 0.000 0.925 67 R CB -1.289 28.987 30.300 -0.040 0.000 0.850 67 R HN 0.478 nan 8.270 nan 0.000 0.431 68 S N 0.231 115.942 115.700 0.019 0.000 2.370 68 S HA -0.121 4.350 4.470 0.001 0.000 0.226 68 S C 2.032 176.680 174.600 0.081 0.000 1.033 68 S CA 1.286 59.517 58.200 0.053 0.000 1.011 68 S CB -0.589 62.650 63.200 0.066 0.000 0.852 68 S HN 0.608 nan 8.310 nan 0.000 0.457 69 A N 0.964 123.853 122.820 0.115 0.000 1.968 69 A HA -0.131 4.190 4.320 0.001 0.000 0.217 69 A C 1.941 179.639 177.584 0.190 0.000 1.169 69 A CA 1.386 53.522 52.037 0.165 0.000 0.638 69 A CB -0.843 18.305 19.000 0.246 0.000 0.812 69 A HN 0.711 nan 8.150 nan 0.000 0.446 70 H N -0.457 118.653 119.070 0.068 0.000 2.333 70 H HA 0.016 4.573 4.556 0.001 0.000 0.302 70 H C 1.988 177.365 175.328 0.082 0.000 1.075 70 H CA 1.306 57.408 56.048 0.091 0.000 1.348 70 H CB -0.068 29.699 29.762 0.008 0.000 1.393 70 H HN 0.391 nan 8.280 nan 0.000 0.509 71 L N 0.513 121.714 121.223 -0.037 0.000 1.989 71 L HA -0.217 4.124 4.340 0.001 0.000 0.211 71 L C 3.060 179.887 176.870 -0.071 0.000 1.071 71 L CA 1.257 56.036 54.840 -0.101 0.000 0.749 71 L CB -0.593 41.447 42.059 -0.031 0.000 0.890 71 L HN 0.368 nan 8.230 nan 0.000 0.431 72 A N -0.074 122.735 122.820 -0.018 0.000 1.902 72 A HA -0.153 4.168 4.320 0.001 0.000 0.217 72 A C 2.352 179.896 177.584 -0.066 0.000 1.181 72 A CA 1.746 53.768 52.037 -0.024 0.000 0.623 72 A CB -1.287 17.718 19.000 0.009 0.000 0.818 72 A HN 0.492 nan 8.150 nan 0.000 0.443 73 G N -1.272 107.496 108.800 -0.054 0.000 2.446 73 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 73 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 73 G C 1.567 176.318 174.900 -0.249 0.000 1.168 73 G CA 1.036 46.023 45.100 -0.189 0.000 0.771 73 G HN 0.443 nan 8.290 nan 0.000 0.551 74 Q N 0.777 120.506 119.800 -0.120 0.000 2.224 74 Q HA -0.061 4.280 4.340 0.001 0.000 0.203 74 Q C 3.005 178.965 176.000 -0.068 0.000 0.970 74 Q CA 1.468 57.222 55.803 -0.082 0.000 0.865 74 Q CB -0.184 28.464 28.738 -0.149 0.000 0.922 74 Q HN 0.657 nan 8.270 nan 0.000 0.445 75 S N 0.194 115.848 115.700 -0.076 0.000 2.348 75 S HA -0.046 4.424 4.470 0.001 0.000 0.219 75 S C 1.954 176.527 174.600 -0.046 0.000 1.033 75 S CA 0.541 58.713 58.200 -0.048 0.000 0.974 75 S CB -0.226 62.948 63.200 -0.044 0.000 0.868 75 S HN 0.127 nan 8.310 nan 0.000 0.459 76 I N 2.209 122.731 120.570 -0.080 0.000 2.142 76 I HA 0.018 4.189 4.170 0.001 0.000 0.240 76 I C 1.709 177.783 176.117 -0.072 0.000 1.078 76 I CA 1.121 62.373 61.300 -0.080 0.000 1.343 76 I CB -1.500 36.432 38.000 -0.114 0.000 1.046 76 I HN 0.268 nan 8.210 nan 0.000 0.405 77 L N 0.190 121.299 121.223 -0.189 0.000 2.783 77 L HA 0.182 4.522 4.340 0.001 0.000 0.236 77 L C 0.918 177.858 176.870 0.116 0.000 1.225 77 L CA -0.031 54.699 54.840 -0.184 0.000 1.026 77 L CB -0.325 41.234 42.059 -0.833 0.000 1.314 77 L HN -0.038 nan 8.230 nan 0.000 0.489 78 S N 0.547 116.305 115.700 0.097 0.000 2.537 78 S HA 0.331 4.801 4.470 0.001 0.000 0.286 78 S C 1.335 176.027 174.600 0.154 0.000 1.299 78 S CA 0.767 59.037 58.200 0.117 0.000 1.067 78 S CB 0.371 63.606 63.200 0.058 0.000 0.864 78 S HN 0.741 nan 8.310 nan 0.000 0.494 79 G N 3.330 112.225 108.800 0.158 0.000 2.176 79 G HA2 -0.259 3.702 3.960 0.001 0.000 0.253 79 G HA3 -0.259 3.702 3.960 0.001 0.000 0.253 79 G C -0.089 174.846 174.900 0.058 0.000 0.979 79 G CA 0.013 45.172 45.100 0.099 0.000 0.641 79 G HN 0.689 nan 8.290 nan 0.000 0.530 80 Y N 1.380 121.716 120.300 0.060 0.000 2.377 80 Y HA 0.403 4.954 4.550 0.001 0.000 0.330 80 Y C 1.902 177.802 175.900 0.001 0.000 1.108 80 Y CA 0.904 59.034 58.100 0.051 0.000 1.308 80 Y CB 1.438 39.956 38.460 0.097 0.000 1.216 80 Y HN 0.085 nan 8.280 nan 0.000 0.518 81 S N 0.832 116.540 115.700 0.013 0.000 2.461 81 S HA 0.015 4.485 4.470 0.001 0.000 0.228 81 S C 0.120 174.474 174.600 -0.411 0.000 1.005 81 S CA 0.767 58.783 58.200 -0.307 0.000 0.942 81 S CB 0.052 63.085 63.200 -0.277 0.000 0.776 81 S HN 0.694 nan 8.310 nan 0.000 0.514 82 T N 1.137 115.615 114.554 -0.127 0.000 2.982 82 T HA 0.603 4.954 4.350 0.001 0.000 0.321 82 T C -1.174 173.493 174.700 -0.055 0.000 1.229 82 T CA -0.810 61.153 62.100 -0.229 0.000 1.044 82 T CB 1.781 70.494 68.868 -0.259 0.000 1.184 82 T HN 0.351 nan 8.240 nan 0.000 0.477 83 Y N -0.247 119.817 120.300 -0.395 0.000 2.853 83 Y HA 0.833 5.383 4.550 0.001 0.000 0.326 83 Y C -2.215 173.286 175.900 -0.664 0.000 1.384 83 Y CA -1.678 56.206 58.100 -0.359 0.000 1.077 83 Y CB 0.848 39.184 38.460 -0.207 0.000 1.395 83 Y HN 0.580 nan 8.280 nan 0.000 0.451 84 Y N 0.279 120.637 120.300 0.097 0.000 2.605 84 Y HA 0.720 5.270 4.550 0.001 0.000 0.343 84 Y C -0.742 175.147 175.900 -0.018 0.000 1.036 84 Y CA -1.580 56.438 58.100 -0.137 0.000 1.065 84 Y CB 2.283 40.426 38.460 -0.530 0.000 1.288 84 Y HN 0.491 nan 8.280 nan 0.000 0.481 85 I N 2.520 123.178 120.570 0.146 0.000 2.420 85 I HA 0.229 4.399 4.170 0.001 0.000 0.282 85 I C -1.296 174.964 176.117 0.238 0.000 1.019 85 I CA -0.740 60.714 61.300 0.257 0.000 1.130 85 I CB 0.585 38.773 38.000 0.312 0.000 1.262 85 I HN 0.489 nan 8.210 nan 0.000 0.454 86 Y N 5.095 125.611 120.300 0.360 0.000 2.425 86 Y HA 0.195 4.745 4.550 0.001 0.000 0.331 86 Y C 0.483 176.490 175.900 0.178 0.000 1.157 86 Y CA -0.202 58.073 58.100 0.291 0.000 1.372 86 Y CB 0.879 39.447 38.460 0.179 0.000 1.253 86 Y HN 0.196 nan 8.280 nan 0.000 0.536 87 V N 6.261 126.310 119.914 0.224 0.000 2.328 87 V HA 0.309 4.429 4.120 0.001 0.000 0.278 87 V C -0.060 175.978 176.094 -0.093 0.000 1.021 87 V CA -0.737 61.523 62.300 -0.066 0.000 0.838 87 V CB 0.397 32.207 31.823 -0.022 0.000 0.999 87 V HN 0.539 nan 8.190 nan 0.000 0.447 88 I N 3.908 124.368 120.570 -0.183 0.000 2.437 88 I HA 0.665 4.836 4.170 0.001 0.000 0.298 88 I C 0.806 176.796 176.117 -0.212 0.000 0.984 88 I CA -0.213 60.992 61.300 -0.158 0.000 1.214 88 I CB 1.709 39.644 38.000 -0.108 0.000 1.365 88 I HN 0.651 nan 8.210 nan 0.000 0.469 89 A N 3.699 126.402 122.820 -0.194 0.000 2.313 89 A HA 0.574 4.895 4.320 0.001 0.000 0.261 89 A C 0.141 177.650 177.584 -0.126 0.000 1.090 89 A CA -0.348 51.600 52.037 -0.148 0.000 0.807 89 A CB 0.123 19.095 19.000 -0.046 0.000 1.055 89 A HN 0.731 nan 8.150 nan 0.000 0.492 90 T N -0.614 113.908 114.554 -0.053 0.000 2.799 90 T HA 0.693 5.043 4.350 0.001 0.000 0.286 90 T C -0.156 174.568 174.700 0.039 0.000 0.973 90 T CA 0.135 62.218 62.100 -0.030 0.000 1.035 90 T CB 1.265 70.115 68.868 -0.029 0.000 0.932 90 T HN 1.656 nan 8.240 nan 0.000 0.469 91 A N 3.445 126.276 122.820 0.018 0.000 2.609 91 A HA 0.767 5.088 4.320 0.001 0.000 0.291 91 A C -2.646 174.920 177.584 -0.030 0.000 1.096 91 A CA -1.792 50.291 52.037 0.076 0.000 0.684 91 A CB 0.955 20.096 19.000 0.236 0.000 1.282 91 A HN 0.485 nan 8.150 nan 0.000 0.412 92 P HA -0.046 nan 4.420 nan 0.000 0.239 92 P C 0.510 177.679 177.300 -0.219 0.000 1.184 92 P CA 1.016 64.026 63.100 -0.150 0.000 0.760 92 P CB -0.031 31.614 31.700 -0.092 0.000 0.884 93 N N -1.989 116.645 118.700 -0.110 0.000 2.398 93 N HA -0.001 4.740 4.740 0.001 0.000 0.188 93 N C 0.357 175.786 175.510 -0.135 0.000 1.122 93 N CA 0.549 53.557 53.050 -0.071 0.000 0.866 93 N CB -0.403 38.121 38.487 0.062 0.000 0.970 93 N HN 0.086 nan 8.380 nan 0.000 0.462 94 M N 0.593 120.042 119.600 -0.252 0.000 2.367 94 M HA 0.397 4.878 4.480 0.001 0.000 0.339 94 M C -1.037 175.046 176.300 -0.362 0.000 1.177 94 M CA -0.663 54.557 55.300 -0.134 0.000 1.068 94 M CB 0.666 33.218 32.600 -0.079 0.000 1.602 94 M HN -0.141 nan 8.290 nan 0.000 0.457 95 F N 1.174 121.164 119.950 0.068 0.000 2.561 95 F HA 0.323 4.851 4.527 0.001 0.000 0.313 95 F C 0.520 176.334 175.800 0.023 0.000 1.126 95 F CA -0.961 57.064 58.000 0.042 0.000 0.918 95 F CB 1.324 40.360 39.000 0.060 0.000 1.199 95 F HN 0.502 nan 8.300 nan 0.000 0.444 96 N N 2.462 121.281 118.700 0.198 0.000 2.411 96 N HA 0.100 4.841 4.740 0.001 0.000 0.259 96 N C 0.721 176.306 175.510 0.124 0.000 1.103 96 N CA 0.146 53.272 53.050 0.127 0.000 0.954 96 N CB 1.576 40.117 38.487 0.089 0.000 1.085 96 N HN 0.498 nan 8.380 nan 0.000 0.485 97 V N 4.433 124.401 119.914 0.091 0.000 2.515 97 V HA -0.194 3.927 4.120 0.001 0.000 0.250 97 V C 1.572 177.708 176.094 0.070 0.000 1.058 97 V CA 1.598 63.928 62.300 0.050 0.000 1.064 97 V CB -0.545 31.292 31.823 0.024 0.000 0.675 97 V HN 0.686 nan 8.190 nan 0.000 0.461 98 N N -0.043 118.704 118.700 0.078 0.000 2.354 98 N HA -0.101 4.640 4.740 0.001 0.000 0.179 98 N C 1.358 176.952 175.510 0.139 0.000 1.021 98 N CA 0.967 54.072 53.050 0.092 0.000 0.887 98 N CB -0.082 38.444 38.487 0.065 0.000 0.974 98 N HN 0.422 nan 8.380 nan 0.000 0.437 99 D N -0.059 120.422 120.400 0.136 0.000 2.149 99 D HA -0.037 4.604 4.640 0.001 0.000 0.201 99 D C 1.868 178.330 176.300 0.271 0.000 0.972 99 D CA 0.701 54.801 54.000 0.166 0.000 0.835 99 D CB -0.040 40.824 40.800 0.107 0.000 0.966 99 D HN 0.076 nan 8.370 nan 0.000 0.476 100 V N 0.837 120.894 119.914 0.239 0.000 2.379 100 V HA -0.059 4.062 4.120 0.001 0.000 0.243 100 V C 2.380 178.793 176.094 0.532 0.000 1.035 100 V CA 0.779 63.284 62.300 0.341 0.000 1.035 100 V CB -0.169 31.716 31.823 0.103 0.000 0.673 100 V HN 0.165 nan 8.190 nan 0.000 0.457 101 L N -0.082 121.332 121.223 0.320 0.000 2.554 101 L HA 0.278 4.619 4.340 0.001 0.000 0.226 101 L C 1.636 178.889 176.870 0.638 0.000 1.137 101 L CA 0.742 55.782 54.840 0.333 0.000 0.863 101 L CB -1.057 41.057 42.059 0.092 0.000 0.985 101 L HN 0.571 nan 8.230 nan 0.000 0.451 102 G N 1.055 110.207 108.800 0.587 0.000 2.582 102 G HA2 -0.397 3.564 3.960 0.001 0.000 0.288 102 G HA3 -0.397 3.564 3.960 0.001 0.000 0.288 102 G C 0.823 175.893 174.900 0.284 0.000 1.247 102 G CA 0.776 46.183 45.100 0.512 0.000 0.972 102 G HN 0.203 nan 8.290 nan 0.000 0.557 103 V N -2.748 117.245 119.914 0.132 0.000 3.186 103 V HA 0.051 4.172 4.120 0.001 0.000 0.270 103 V C 2.001 177.946 176.094 -0.248 0.000 1.149 103 V CA 2.503 64.713 62.300 -0.149 0.000 1.160 103 V CB -0.949 30.680 31.823 -0.322 0.000 0.758 103 V HN 0.714 nan 8.190 nan 0.000 0.516 104 Y N 0.470 120.842 120.300 0.121 0.000 2.457 104 Y HA 0.421 4.972 4.550 0.001 0.000 0.263 104 Y C 1.778 177.754 175.900 0.128 0.000 1.164 104 Y CA 0.034 58.205 58.100 0.118 0.000 1.274 104 Y CB -0.208 38.317 38.460 0.108 0.000 1.097 104 Y HN 0.237 nan 8.280 nan 0.000 0.523 105 S N 2.240 118.052 115.700 0.186 0.000 2.509 105 S HA 0.031 4.502 4.470 0.001 0.000 0.287 105 S C -1.454 173.129 174.600 -0.029 0.000 1.248 105 S CA -1.143 57.104 58.200 0.079 0.000 1.089 105 S CB 0.644 63.864 63.200 0.033 0.000 0.900 105 S HN 0.112 nan 8.310 nan 0.000 0.496 106 P HA -0.072 nan 4.420 nan 0.000 0.219 106 P C -0.070 176.849 177.300 -0.634 0.000 1.146 106 P CA 1.237 64.159 63.100 -0.298 0.000 0.808 106 P CB 0.075 31.596 31.700 -0.298 0.000 0.779 107 H N -3.033 115.868 119.070 -0.283 0.000 2.379 107 H HA 0.242 4.799 4.556 0.001 0.000 0.229 107 H C -1.932 172.944 175.328 -0.753 0.000 1.423 107 H CA -1.515 54.141 56.048 -0.654 0.000 1.375 107 H CB 0.922 30.404 29.762 -0.467 0.000 1.592 107 H HN 0.094 nan 8.280 nan 0.000 0.507 108 P HA -0.150 nan 4.420 nan 0.000 0.222 108 P C 1.182 178.412 177.300 -0.116 0.000 1.147 108 P CA 1.113 64.090 63.100 -0.206 0.000 0.790 108 P CB -0.158 31.499 31.700 -0.071 0.000 0.780 109 Y N -1.425 118.918 120.300 0.072 0.000 2.516 109 Y HA 0.169 4.719 4.550 0.001 0.000 0.291 109 Y C 1.886 177.822 175.900 0.061 0.000 1.131 109 Y CA 0.284 58.420 58.100 0.060 0.000 1.281 109 Y CB -1.340 37.153 38.460 0.055 0.000 1.013 109 Y HN -0.073 nan 8.280 nan 0.000 0.554 110 E N 0.813 121.004 120.200 -0.015 0.000 2.435 110 E HA -0.039 4.312 4.350 0.001 0.000 0.195 110 E C 0.210 176.837 176.600 0.046 0.000 1.029 110 E CA 0.062 56.494 56.400 0.052 0.000 0.865 110 E CB -0.113 29.568 29.700 -0.032 0.000 0.833 110 E HN 0.394 nan 8.360 nan 0.000 0.510 111 Q N 1.416 121.235 119.800 0.033 0.000 2.383 111 Q HA -0.262 4.079 4.340 0.001 0.000 0.370 111 Q C -0.412 175.623 176.000 0.058 0.000 1.315 111 Q CA 0.659 56.490 55.803 0.047 0.000 1.158 111 Q CB -1.345 27.430 28.738 0.061 0.000 1.352 111 Q HN 0.410 nan 8.270 nan 0.000 0.346 112 E N 0.335 120.564 120.200 0.048 0.000 2.301 112 E HA 0.382 4.732 4.350 0.001 0.000 0.275 112 E C -0.941 175.706 176.600 0.078 0.000 1.030 112 E CA -0.532 55.907 56.400 0.065 0.000 0.852 112 E CB 1.138 30.870 29.700 0.055 0.000 1.060 112 E HN 0.121 nan 8.360 nan 0.000 0.401 113 V N 3.575 123.544 119.914 0.092 0.000 2.409 113 V HA 0.243 4.364 4.120 0.001 0.000 0.291 113 V C -0.422 175.745 176.094 0.122 0.000 1.020 113 V CA -0.542 61.819 62.300 0.101 0.000 0.848 113 V CB 1.729 33.598 31.823 0.077 0.000 0.990 113 V HN 0.642 nan 8.190 nan 0.000 0.430 114 S N 3.307 119.103 115.700 0.160 0.000 2.565 114 S HA 0.805 5.276 4.470 0.001 0.000 0.290 114 S C 0.055 174.831 174.600 0.294 0.000 1.150 114 S CA -0.429 57.886 58.200 0.191 0.000 1.058 114 S CB 1.732 64.991 63.200 0.098 0.000 1.032 114 S HN 0.980 nan 8.310 nan 0.000 0.510 115 A N 2.351 125.304 122.820 0.222 0.000 2.288 115 A HA 0.630 4.950 4.320 0.001 0.000 0.320 115 A C -0.643 176.999 177.584 0.096 0.000 1.217 115 A CA -0.613 51.521 52.037 0.162 0.000 0.840 115 A CB 0.292 19.326 19.000 0.057 0.000 1.179 115 A HN 0.667 nan 8.150 nan 0.000 0.504 116 L N 3.394 124.657 121.223 0.066 0.000 2.278 116 L HA 0.639 4.980 4.340 0.001 0.000 0.287 116 L C 0.948 177.729 176.870 -0.148 0.000 1.072 116 L CA 1.545 56.198 54.840 -0.312 0.000 0.819 116 L CB 0.327 42.291 42.059 -0.158 0.000 1.176 116 L HN 1.465 nan 8.230 nan 0.000 0.435 117 G N 2.312 110.972 108.800 -0.233 0.000 2.278 117 G HA2 0.240 4.201 3.960 0.001 0.000 0.210 117 G HA3 0.240 4.201 3.960 0.001 0.000 0.210 117 G C 0.889 175.797 174.900 0.013 0.000 1.000 117 G CA -0.020 44.996 45.100 -0.140 0.000 0.635 117 G HN 2.023 nan 8.290 nan 0.000 0.495 118 G N -0.805 108.018 108.800 0.038 0.000 2.396 118 G HA2 0.274 4.234 3.960 0.001 0.000 0.254 118 G HA3 0.274 4.234 3.960 0.001 0.000 0.254 118 G C -0.786 174.124 174.900 0.018 0.000 1.248 118 G CA -0.242 44.899 45.100 0.069 0.000 1.033 118 G HN 1.202 nan 8.290 nan 0.000 0.502 119 I N 2.636 123.144 120.570 -0.104 0.000 2.439 119 I HA 0.376 4.547 4.170 0.001 0.000 0.285 119 I C -2.050 173.820 176.117 -0.412 0.000 1.021 119 I CA -2.077 59.095 61.300 -0.213 0.000 1.091 119 I CB 2.677 40.590 38.000 -0.146 0.000 1.242 119 I HN 0.342 nan 8.210 nan 0.000 0.439 120 P HA -0.056 nan 4.420 nan 0.000 0.271 120 P C 0.220 177.367 177.300 -0.257 0.000 1.218 120 P CA 0.013 62.679 63.100 -0.724 0.000 0.780 120 P CB 0.950 32.202 31.700 -0.747 0.000 0.901 121 Y N 2.844 122.990 120.300 -0.256 0.000 2.315 121 Y HA -0.238 4.312 4.550 0.001 0.000 0.288 121 Y C 2.333 178.228 175.900 -0.008 0.000 1.154 121 Y CA 2.463 60.496 58.100 -0.112 0.000 1.229 121 Y CB -0.531 37.882 38.460 -0.078 0.000 0.980 121 Y HN 0.348 nan 8.280 nan 0.000 0.540 122 S N -0.917 114.837 115.700 0.091 0.000 2.515 122 S HA -0.185 4.286 4.470 0.001 0.000 0.231 122 S C 1.693 176.370 174.600 0.129 0.000 0.987 122 S CA 0.995 59.276 58.200 0.134 0.000 0.936 122 S CB -0.246 63.075 63.200 0.202 0.000 0.766 122 S HN 0.667 nan 8.310 nan 0.000 0.528 123 Q N 0.365 120.102 119.800 -0.106 0.000 2.356 123 Q HA 0.315 4.656 4.340 0.001 0.000 0.205 123 Q C -0.144 175.755 176.000 -0.167 0.000 0.901 123 Q CA -0.049 55.500 55.803 -0.423 0.000 0.938 123 Q CB 0.172 28.597 28.738 -0.522 0.000 1.081 123 Q HN 0.545 nan 8.270 nan 0.000 0.517 124 I N 2.054 122.549 120.570 -0.124 0.000 2.308 124 I HA -0.036 4.134 4.170 0.001 0.000 0.293 124 I C 0.445 176.465 176.117 -0.163 0.000 1.078 124 I CA -0.275 60.949 61.300 -0.128 0.000 1.292 124 I CB 0.429 38.313 38.000 -0.192 0.000 1.423 124 I HN 0.257 nan 8.210 nan 0.000 0.493 125 Y N 7.208 127.246 120.300 -0.437 0.000 2.128 125 Y HA -0.084 4.467 4.550 0.001 0.000 0.284 125 Y C 1.325 176.918 175.900 -0.511 0.000 1.154 125 Y CA 1.747 59.388 58.100 -0.765 0.000 1.149 125 Y CB 0.153 38.165 38.460 -0.747 0.000 0.976 125 Y HN 0.584 nan 8.280 nan 0.000 0.505 126 G N -2.917 105.677 108.800 -0.343 0.000 2.348 126 G HA2 0.363 4.324 3.960 0.001 0.000 0.296 126 G HA3 0.363 4.324 3.960 0.001 0.000 0.296 126 G C -2.198 172.553 174.900 -0.248 0.000 1.258 126 G CA -0.421 44.292 45.100 -0.645 0.000 0.868 126 G HN 0.415 nan 8.290 nan 0.000 0.488 127 W N -1.808 119.426 121.300 -0.109 0.000 3.275 127 W HA 0.778 5.438 4.660 0.001 0.000 0.306 127 W C -2.259 174.201 176.519 -0.099 0.000 1.259 127 W CA -1.926 55.339 57.345 -0.132 0.000 1.194 127 W CB 0.548 29.838 29.460 -0.284 0.000 1.375 127 W HN 0.565 nan 8.180 nan 0.000 0.564 128 Y N 1.636 122.097 120.300 0.268 0.000 2.377 128 Y HA 0.572 5.123 4.550 0.001 0.000 0.339 128 Y C 0.696 176.668 175.900 0.121 0.000 1.011 128 Y CA -1.233 56.988 58.100 0.201 0.000 1.093 128 Y CB 1.800 40.303 38.460 0.072 0.000 1.201 128 Y HN 0.447 nan 8.280 nan 0.000 0.455 129 R N 1.609 122.251 120.500 0.237 0.000 2.389 129 R HA 0.566 4.907 4.340 0.001 0.000 0.295 129 R C -1.559 174.604 176.300 -0.227 0.000 1.075 129 R CA -0.262 55.786 56.100 -0.088 0.000 1.005 129 R CB 0.476 30.758 30.300 -0.030 0.000 0.987 129 R HN 0.557 nan 8.270 nan 0.000 0.452 130 V N 4.923 124.542 119.914 -0.491 0.000 2.407 130 V HA 0.311 4.431 4.120 0.001 0.000 0.291 130 V C -0.966 174.810 176.094 -0.530 0.000 1.018 130 V CA -0.943 61.033 62.300 -0.541 0.000 0.842 130 V CB 1.662 32.936 31.823 -0.914 0.000 0.996 130 V HN 0.869 nan 8.190 nan 0.000 0.426 131 N N 3.997 122.494 118.700 -0.338 0.000 2.362 131 N HA 0.696 5.436 4.740 0.001 0.000 0.298 131 N C -0.444 174.904 175.510 -0.269 0.000 1.048 131 N CA -0.845 51.970 53.050 -0.392 0.000 0.858 131 N CB 0.949 39.308 38.487 -0.213 0.000 1.218 131 N HN 0.520 nan 8.380 nan 0.000 0.488 132 F N 1.192 121.124 119.950 -0.030 0.000 3.079 132 F HA -0.199 4.329 4.527 0.001 0.000 0.274 132 F C 1.538 177.357 175.800 0.032 0.000 0.940 132 F CA 0.970 58.979 58.000 0.015 0.000 0.932 132 F CB -2.058 36.947 39.000 0.007 0.000 0.891 132 F HN 0.891 nan 8.300 nan 0.000 0.722 133 G N -1.144 107.694 108.800 0.064 0.000 2.168 133 G HA2 -0.150 3.811 3.960 0.001 0.000 0.257 133 G HA3 -0.150 3.811 3.960 0.001 0.000 0.257 133 G C -0.118 174.892 174.900 0.184 0.000 0.997 133 G CA 0.101 45.295 45.100 0.156 0.000 0.708 133 G HN 0.793 nan 8.290 nan 0.000 0.520 134 V N 1.413 121.349 119.914 0.037 0.000 2.448 134 V HA 0.515 4.636 4.120 0.001 0.000 0.295 134 V C 0.754 176.752 176.094 -0.160 0.000 1.025 134 V CA -0.967 61.328 62.300 -0.009 0.000 0.859 134 V CB 1.761 33.615 31.823 0.050 0.000 0.988 134 V HN 0.308 nan 8.190 nan 0.000 0.431 135 I N 3.785 124.183 120.570 -0.287 0.000 2.471 135 I HA 0.182 4.353 4.170 0.001 0.000 0.286 135 I C 0.216 176.228 176.117 -0.175 0.000 1.079 135 I CA 0.002 61.101 61.300 -0.336 0.000 1.398 135 I CB 0.618 38.313 38.000 -0.508 0.000 1.403 135 I HN 0.567 nan 8.210 nan 0.000 0.530 136 D N 6.775 127.124 120.400 -0.086 0.000 2.339 136 D HA -0.003 4.638 4.640 0.001 0.000 0.241 136 D C 1.002 177.353 176.300 0.085 0.000 1.183 136 D CA -0.123 53.884 54.000 0.012 0.000 0.859 136 D CB 0.977 41.815 40.800 0.064 0.000 1.067 136 D HN 0.368 nan 8.370 nan 0.000 0.484 137 E N 2.627 122.857 120.200 0.050 0.000 2.492 137 E HA -0.127 4.223 4.350 0.001 0.000 0.204 137 E C 0.064 176.803 176.600 0.232 0.000 1.073 137 E CA 0.532 57.000 56.400 0.112 0.000 0.887 137 E CB 0.125 29.847 29.700 0.036 0.000 0.813 137 E HN 0.339 nan 8.360 nan 0.000 0.562 138 R N 1.085 121.688 120.500 0.172 0.000 2.272 138 R HA 0.094 4.435 4.340 0.001 0.000 0.334 138 R C -0.051 176.195 176.300 -0.090 0.000 1.117 138 R CA -0.647 55.450 56.100 -0.005 0.000 0.966 138 R CB -0.277 29.966 30.300 -0.095 0.000 1.049 138 R HN -0.020 nan 8.270 nan 0.000 0.477 139 L N 4.932 126.005 121.223 -0.250 0.000 2.385 139 L HA 0.103 4.444 4.340 0.001 0.000 0.281 139 L C -0.484 176.083 176.870 -0.504 0.000 1.106 139 L CA -0.215 54.272 54.840 -0.589 0.000 0.856 139 L CB -0.118 41.573 42.059 -0.613 0.000 1.186 139 L HN 0.448 nan 8.230 nan 0.000 0.453 140 H N 4.708 123.461 119.070 -0.529 0.000 2.723 140 H HA 0.409 4.965 4.556 0.001 0.000 0.294 140 H C -0.040 174.765 175.328 -0.871 0.000 1.079 140 H CA -0.327 55.384 56.048 -0.563 0.000 1.411 140 H CB 0.441 29.918 29.762 -0.476 0.000 1.439 140 H HN 0.446 nan 8.280 nan 0.000 0.474 141 R N 2.192 122.352 120.500 -0.567 0.000 2.594 141 R HA 0.068 4.409 4.340 0.001 0.000 0.272 141 R C 0.084 175.985 176.300 -0.665 0.000 1.074 141 R CA -0.437 55.277 56.100 -0.643 0.000 1.105 141 R CB 0.584 30.612 30.300 -0.453 0.000 1.008 141 R HN 0.584 nan 8.270 nan 0.000 0.472 142 N N 2.428 120.719 118.700 -0.681 0.000 2.439 142 N HA 0.018 4.759 4.740 0.001 0.000 0.249 142 N C 1.029 176.421 175.510 -0.197 0.000 1.003 142 N CA -0.411 52.385 53.050 -0.423 0.000 0.942 142 N CB 0.816 39.073 38.487 -0.384 0.000 1.115 142 N HN 0.440 nan 8.380 nan 0.000 0.505 143 R N 2.908 123.366 120.500 -0.071 0.000 2.237 143 R HA -0.021 4.320 4.340 0.001 0.000 0.219 143 R C 0.006 176.333 176.300 0.046 0.000 1.080 143 R CA 1.184 57.277 56.100 -0.012 0.000 0.995 143 R CB -0.235 30.077 30.300 0.019 0.000 0.875 143 R HN 0.596 nan 8.270 nan 0.000 0.462 144 E N 0.514 120.771 120.200 0.095 0.000 2.465 144 E HA -0.009 4.341 4.350 0.001 0.000 0.191 144 E C -0.643 176.023 176.600 0.109 0.000 1.053 144 E CA -0.396 56.085 56.400 0.135 0.000 0.869 144 E CB -0.029 29.843 29.700 0.288 0.000 0.977 144 E HN 0.244 nan 8.360 nan 0.000 0.483 145 Y N 1.753 122.015 120.300 -0.063 0.000 2.425 145 Y HA 0.050 4.601 4.550 0.001 0.000 0.331 145 Y C -0.013 175.932 175.900 0.076 0.000 1.157 145 Y CA -0.493 57.586 58.100 -0.035 0.000 1.372 145 Y CB 0.520 38.887 38.460 -0.155 0.000 1.253 145 Y HN -0.234 nan 8.280 nan 0.000 0.536 146 R N 5.876 126.088 120.500 -0.479 0.000 2.870 146 R HA 0.012 4.352 4.340 0.001 0.000 0.254 146 R C 0.834 176.800 176.300 -0.557 0.000 1.392 146 R CA -0.183 55.706 56.100 -0.351 0.000 1.322 146 R CB 0.056 30.293 30.300 -0.105 0.000 1.205 146 R HN 0.889 nan 8.270 nan 0.000 0.597 147 D N 2.275 122.383 120.400 -0.487 0.000 2.106 147 D HA -0.237 4.403 4.640 0.001 0.000 0.191 147 D C 1.709 177.977 176.300 -0.054 0.000 0.997 147 D CA 1.531 55.407 54.000 -0.207 0.000 0.834 147 D CB 0.371 41.204 40.800 0.056 0.000 0.956 147 D HN 0.375 nan 8.370 nan 0.000 0.448 148 R N -1.097 119.377 120.500 -0.044 0.000 2.115 148 R HA -0.189 4.152 4.340 0.001 0.000 0.230 148 R C 2.384 178.667 176.300 -0.028 0.000 1.111 148 R CA 0.962 57.054 56.100 -0.013 0.000 0.976 148 R CB -0.420 29.877 30.300 -0.005 0.000 0.870 148 R HN 0.218 nan 8.270 nan 0.000 0.445 149 Y N -0.105 120.046 120.300 -0.249 0.000 2.153 149 Y HA -0.174 4.376 4.550 0.001 0.000 0.289 149 Y C 1.361 177.016 175.900 -0.409 0.000 1.127 149 Y CA 1.591 59.462 58.100 -0.383 0.000 1.131 149 Y CB -0.328 37.785 38.460 -0.579 0.000 0.995 149 Y HN 0.044 nan 8.280 nan 0.000 0.505 150 Y N 0.024 120.289 120.300 -0.057 0.000 2.457 150 Y HA -0.036 4.515 4.550 0.001 0.000 0.292 150 Y C 2.562 178.456 175.900 -0.011 0.000 1.125 150 Y CA 1.038 59.108 58.100 -0.049 0.000 1.254 150 Y CB -0.642 37.890 38.460 0.121 0.000 1.012 150 Y HN 0.060 nan 8.280 nan 0.000 0.555 151 R N 1.392 121.960 120.500 0.113 0.000 2.185 151 R HA -0.249 4.092 4.340 0.001 0.000 0.247 151 R C 0.282 176.600 176.300 0.030 0.000 1.159 151 R CA 2.125 58.281 56.100 0.092 0.000 0.988 151 R CB -0.237 30.098 30.300 0.059 0.000 0.871 151 R HN 0.594 nan 8.270 nan 0.000 0.458 152 N N -1.558 117.125 118.700 -0.029 0.000 2.143 152 N HA 0.144 4.885 4.740 0.001 0.000 0.229 152 N C -0.420 175.047 175.510 -0.073 0.000 1.294 152 N CA -0.295 52.728 53.050 -0.046 0.000 0.883 152 N CB 0.372 38.826 38.487 -0.055 0.000 1.148 152 N HN 0.011 nan 8.380 nan 0.000 0.511 153 L N 0.156 121.329 121.223 -0.083 0.000 2.399 153 L HA 0.471 4.812 4.340 0.001 0.000 0.266 153 L C -0.209 176.645 176.870 -0.028 0.000 1.114 153 L CA -0.673 54.111 54.840 -0.092 0.000 0.804 153 L CB 1.042 43.023 42.059 -0.130 0.000 1.146 153 L HN 0.207 nan 8.230 nan 0.000 0.451 154 N N 0.475 119.150 118.700 -0.042 0.000 2.774 154 N HA 0.456 5.197 4.740 0.001 0.000 0.264 154 N C -0.781 174.691 175.510 -0.064 0.000 1.415 154 N CA -0.679 52.348 53.050 -0.038 0.000 0.815 154 N CB 1.349 39.814 38.487 -0.036 0.000 1.514 154 N HN 0.337 nan 8.380 nan 0.000 0.523 155 I N 1.354 121.881 120.570 -0.071 0.000 2.932 155 I HA 0.092 4.263 4.170 0.001 0.000 0.295 155 I C 1.060 177.081 176.117 -0.160 0.000 1.227 155 I CA 0.077 61.306 61.300 -0.118 0.000 1.429 155 I CB 0.235 38.192 38.000 -0.072 0.000 1.339 155 I HN 0.525 nan 8.210 nan 0.000 0.589 156 A N 7.341 129.975 122.820 -0.308 0.000 2.483 156 A HA 0.406 4.727 4.320 0.001 0.000 0.238 156 A C -2.262 175.235 177.584 -0.146 0.000 1.070 156 A CA -0.951 50.897 52.037 -0.314 0.000 0.770 156 A CB -0.613 17.948 19.000 -0.732 0.000 1.008 156 A HN 0.487 nan 8.150 nan 0.000 0.497 157 P HA 0.350 nan 4.420 nan 0.000 0.280 157 P C 0.788 178.049 177.300 -0.065 0.000 1.244 157 P CA 0.260 63.333 63.100 -0.045 0.000 0.784 157 P CB 1.242 32.923 31.700 -0.031 0.000 0.913 158 A N 3.353 126.103 122.820 -0.116 0.000 1.985 158 A HA -0.322 3.998 4.320 0.001 0.000 0.223 158 A C 1.850 178.932 177.584 -0.836 0.000 1.189 158 A CA 2.030 53.850 52.037 -0.361 0.000 0.658 158 A CB -1.325 17.524 19.000 -0.252 0.000 0.820 158 A HN 0.678 nan 8.150 nan 0.000 0.464 159 E N -0.513 119.406 120.200 -0.468 0.000 2.108 159 E HA -0.268 4.083 4.350 0.001 0.000 0.203 159 E C 1.402 177.839 176.600 -0.271 0.000 1.022 159 E CA 1.526 57.742 56.400 -0.307 0.000 0.823 159 E CB -0.359 29.346 29.700 0.008 0.000 0.744 159 E HN 0.634 nan 8.360 nan 0.000 0.456 160 D N -0.596 119.737 120.400 -0.111 0.000 2.277 160 D HA -0.032 4.608 4.640 0.001 0.000 0.208 160 D C 1.867 178.212 176.300 0.076 0.000 0.962 160 D CA 0.958 54.990 54.000 0.053 0.000 0.865 160 D CB -0.379 40.504 40.800 0.138 0.000 0.939 160 D HN 0.269 nan 8.370 nan 0.000 0.510 161 G N 0.035 108.799 108.800 -0.060 0.000 2.394 161 G HA2 -0.254 3.706 3.960 0.001 0.000 0.215 161 G HA3 -0.254 3.706 3.960 0.001 0.000 0.215 161 G C 1.184 176.039 174.900 -0.076 0.000 1.165 161 G CA 0.279 45.308 45.100 -0.118 0.000 0.784 161 G HN 0.176 nan 8.290 nan 0.000 0.535 162 Y N 1.405 121.715 120.300 0.017 0.000 2.102 162 Y HA -0.212 4.339 4.550 0.001 0.000 0.280 162 Y C 2.794 178.857 175.900 0.272 0.000 1.178 162 Y CA 1.310 59.482 58.100 0.120 0.000 1.146 162 Y CB -0.622 37.700 38.460 -0.229 0.000 0.968 162 Y HN 0.223 nan 8.280 nan 0.000 0.504 163 R N 1.092 121.805 120.500 0.356 0.000 2.293 163 R HA -0.103 4.238 4.340 0.001 0.000 0.219 163 R C 1.039 177.504 176.300 0.276 0.000 1.091 163 R CA 1.291 57.603 56.100 0.353 0.000 1.004 163 R CB -0.626 29.833 30.300 0.266 0.000 0.865 163 R HN 0.453 nan 8.270 nan 0.000 0.469 164 L N 0.190 121.520 121.223 0.177 0.000 2.693 164 L HA 0.283 4.624 4.340 0.001 0.000 0.235 164 L C 2.223 179.096 176.870 0.004 0.000 1.127 164 L CA 0.293 55.170 54.840 0.062 0.000 0.914 164 L CB 0.202 42.202 42.059 -0.097 0.000 1.193 164 L HN 0.105 nan 8.230 nan 0.000 0.502 165 A N 0.539 123.374 122.820 0.026 0.000 1.978 165 A HA -0.064 4.257 4.320 0.001 0.000 0.220 165 A C 1.887 179.225 177.584 -0.410 0.000 1.170 165 A CA 1.384 53.244 52.037 -0.296 0.000 0.636 165 A CB -0.709 17.942 19.000 -0.582 0.000 0.810 165 A HN 0.550 nan 8.150 nan 0.000 0.448 166 G N -2.170 106.598 108.800 -0.052 0.000 2.221 166 G HA2 -0.255 3.705 3.960 0.001 0.000 0.265 166 G HA3 -0.255 3.705 3.960 0.001 0.000 0.265 166 G C -0.057 174.789 174.900 -0.089 0.000 1.041 166 G CA 0.162 45.294 45.100 0.055 0.000 0.807 166 G HN 0.386 nan 8.290 nan 0.000 0.502 167 F N 1.411 121.088 119.950 -0.456 0.000 2.459 167 F HA 0.399 4.926 4.527 0.001 0.000 0.346 167 F C -0.503 175.203 175.800 -0.156 0.000 1.128 167 F CA -1.788 55.630 58.000 -0.970 0.000 1.268 167 F CB 0.419 38.259 39.000 -1.933 0.000 1.161 167 F HN -0.030 nan 8.300 nan 0.000 0.583 168 P HA -0.006 nan 4.420 nan 0.000 0.271 168 P C -2.146 175.391 177.300 0.395 0.000 1.233 168 P CA -1.143 62.127 63.100 0.285 0.000 0.789 168 P CB 0.313 32.144 31.700 0.218 0.000 0.951 169 P HA -0.173 nan 4.420 nan 0.000 0.220 169 P C 0.817 178.250 177.300 0.223 0.000 1.148 169 P CA 1.610 64.829 63.100 0.199 0.000 0.803 169 P CB -0.138 31.596 31.700 0.057 0.000 0.782 170 D N -2.367 118.129 120.400 0.160 0.000 2.328 170 D HA -0.084 4.556 4.640 0.001 0.000 0.221 170 D C 0.407 176.728 176.300 0.036 0.000 1.072 170 D CA -0.262 53.788 54.000 0.083 0.000 0.850 170 D CB -0.775 40.046 40.800 0.034 0.000 0.922 170 D HN 0.216 nan 8.370 nan 0.000 0.516 171 H N 2.211 121.257 119.070 -0.039 0.000 2.819 171 H HA 0.012 4.568 4.556 0.001 0.000 0.303 171 H C 1.181 176.282 175.328 -0.377 0.000 1.058 171 H CA 0.139 56.008 56.048 -0.298 0.000 1.471 171 H CB 1.409 30.828 29.762 -0.573 0.000 1.480 171 H HN 0.123 nan 8.280 nan 0.000 0.517 172 Q N 3.738 123.341 119.800 -0.328 0.000 2.421 172 Q HA -0.253 4.088 4.340 0.001 0.000 0.215 172 Q C 1.382 177.231 176.000 -0.253 0.000 0.994 172 Q CA 1.623 57.300 55.803 -0.210 0.000 0.909 172 Q CB 0.116 28.741 28.738 -0.189 0.000 0.920 172 Q HN 0.794 nan 8.270 nan 0.000 0.451 173 A N -0.454 121.970 122.820 -0.661 0.000 1.929 173 A HA -0.124 4.197 4.320 0.001 0.000 0.216 173 A C 1.135 178.415 177.584 -0.506 0.000 1.176 173 A CA 0.662 52.039 52.037 -1.100 0.000 0.628 173 A CB -0.904 16.234 19.000 -3.103 0.000 0.816 173 A HN 0.648 nan 8.150 nan 0.000 0.444 174 W N -0.591 120.510 121.300 -0.331 0.000 3.109 174 W HA 0.144 4.804 4.660 0.001 0.000 0.242 174 W C 1.445 177.954 176.519 -0.017 0.000 1.318 174 W CA 0.072 57.366 57.345 -0.085 0.000 1.491 174 W CB 0.097 29.513 29.460 -0.074 0.000 1.120 174 W HN 0.202 nan 8.180 nan 0.000 0.715 175 R N -0.821 119.779 120.500 0.166 0.000 2.538 175 R HA 0.146 4.486 4.340 0.001 0.000 0.372 175 R C -0.149 176.195 176.300 0.073 0.000 0.950 175 R CA 0.011 56.172 56.100 0.101 0.000 1.168 175 R CB 0.594 30.933 30.300 0.065 0.000 1.542 175 R HN 0.101 nan 8.270 nan 0.000 0.536 176 E N 0.131 120.406 120.200 0.125 0.000 2.339 176 E HA 0.243 4.594 4.350 0.001 0.000 0.262 176 E C -0.808 175.790 176.600 -0.004 0.000 0.934 176 E CA -1.035 55.421 56.400 0.093 0.000 0.802 176 E CB 1.299 31.117 29.700 0.196 0.000 1.275 176 E HN -0.093 nan 8.360 nan 0.000 0.427 177 E N 1.671 121.777 120.200 -0.157 0.000 2.376 177 E HA 0.064 4.414 4.350 0.001 0.000 0.266 177 E C -1.868 174.283 176.600 -0.748 0.000 1.009 177 E CA -1.367 54.816 56.400 -0.361 0.000 0.902 177 E CB 0.717 30.273 29.700 -0.241 0.000 0.972 177 E HN 0.261 nan 8.360 nan 0.000 0.439 178 P HA 0.125 nan 4.420 nan 0.000 0.282 178 P C 0.854 177.890 177.300 -0.440 0.000 1.327 178 P CA -0.045 62.604 63.100 -0.752 0.000 0.949 178 P CB 0.306 31.534 31.700 -0.786 0.000 1.445 179 W N 0.792 121.979 121.300 -0.188 0.000 2.350 179 W HA -0.108 4.552 4.660 0.001 0.000 0.289 179 W C 1.372 178.015 176.519 0.207 0.000 1.215 179 W CA 0.610 58.005 57.345 0.084 0.000 1.236 179 W CB -1.274 28.183 29.460 -0.005 0.000 1.130 179 W HN 0.016 nan 8.180 nan 0.000 0.541 180 I N -0.309 120.372 120.570 0.186 0.000 2.315 180 I HA -0.304 3.866 4.170 0.001 0.000 0.251 180 I C 1.849 178.024 176.117 0.097 0.000 1.125 180 I CA 1.640 62.992 61.300 0.087 0.000 1.392 180 I CB -1.750 36.190 38.000 -0.101 0.000 1.065 180 I HN -0.013 nan 8.210 nan 0.000 0.424 181 H N -0.170 118.964 119.070 0.107 0.000 2.539 181 H HA 0.187 4.744 4.556 0.001 0.000 0.267 181 H C 0.440 175.656 175.328 -0.187 0.000 0.982 181 H CA 0.503 56.508 56.048 -0.071 0.000 1.146 181 H CB -0.357 29.297 29.762 -0.180 0.000 1.382 181 H HN 0.604 nan 8.280 nan 0.000 0.577 182 H N -1.677 117.554 119.070 0.267 0.000 2.985 182 H HA 0.451 5.007 4.556 0.001 0.000 0.246 182 H C 0.320 175.797 175.328 0.248 0.000 1.181 182 H CA -0.085 56.124 56.048 0.269 0.000 0.972 182 H CB 0.494 30.477 29.762 0.369 0.000 2.016 182 H HN 0.180 nan 8.280 nan 0.000 0.672 183 A N 2.037 125.006 122.820 0.247 0.000 2.409 183 A HA 0.452 4.773 4.320 0.001 0.000 0.262 183 A C -2.016 175.437 177.584 -0.219 0.000 1.113 183 A CA -1.039 50.929 52.037 -0.115 0.000 0.790 183 A CB 0.213 19.136 19.000 -0.130 0.000 1.046 183 A HN 0.090 nan 8.150 nan 0.000 0.496 184 P HA 0.317 nan 4.420 nan 0.000 0.279 184 P C -0.705 176.457 177.300 -0.230 0.000 1.282 184 P CA -0.566 62.403 63.100 -0.218 0.000 0.788 184 P CB 0.299 31.893 31.700 -0.177 0.000 1.139 185 Q N 0.425 120.144 119.800 -0.134 0.000 2.317 185 Q HA 0.345 4.686 4.340 0.001 0.000 0.286 185 Q C 1.143 177.065 176.000 -0.130 0.000 1.198 185 Q CA 1.781 57.519 55.803 -0.108 0.000 0.973 185 Q CB -1.362 27.339 28.738 -0.063 0.000 1.207 185 Q HN 0.777 nan 8.270 nan 0.000 0.416 186 G N 1.417 110.131 108.800 -0.144 0.000 2.134 186 G HA2 -0.223 3.738 3.960 0.001 0.000 0.209 186 G HA3 -0.223 3.738 3.960 0.001 0.000 0.209 186 G C -0.148 174.641 174.900 -0.185 0.000 0.993 186 G CA -0.336 44.690 45.100 -0.125 0.000 0.669 186 G HN 0.621 nan 8.290 nan 0.000 0.519 187 C N 0.631 119.719 119.300 -0.352 0.000 2.322 187 C HA 0.945 5.405 4.460 0.001 0.000 0.324 187 C C 1.083 175.830 174.990 -0.405 0.000 1.284 187 C CA 0.334 58.991 59.018 -0.602 0.000 1.606 187 C CB 0.377 27.190 27.740 -1.544 0.000 2.251 187 C HN 2.160 nan 8.230 nan 0.000 0.502 188 G N 0.000 108.729 108.800 -0.118 0.000 5.446 188 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 188 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 188 G CA 0.000 45.111 45.100 0.018 0.000 0.502 188 G HN 0.000 nan 8.290 nan 0.000 0.925