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 2e2m_1_A DATA FIRST_RESID 4 DATA SEQUENCE SIPLIGERFP EMEVTTDHGV IKLPDHYVSQ GKWFVLFSHP ADFTPVXTTE DATA SEQUENCE FVSFARRYED FQRLGVDLIG LSVDSVFSHI KWKEWIERHI GVRIPFPIIA DATA SEQUENCE DPQGTVARRL GLLXXXXATH TVRGVFIVDA RGVIRTMLYY PMELGRLVDE DATA SEQUENCE ILRIVKALKL GDSLKRAVPA DWPNNEIIGE GLIVPPPTTE DQARARMESG DATA SEQUENCE QYRSLDWWFC WDTPASRDDV EEARRYLRRA AEKPAKLLYE 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 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.614 174.600 0.023 0.000 1.055 4 S CA 0.000 58.202 58.200 0.003 0.000 1.107 4 S CB 0.000 63.200 63.200 0.000 0.000 0.593 5 I N 0.290 120.883 120.570 0.039 0.000 2.882 5 I HA 0.607 4.776 4.170 -0.001 0.000 0.286 5 I C -2.195 173.983 176.117 0.103 0.000 1.139 5 I CA -1.743 59.624 61.300 0.111 0.000 1.379 5 I CB -0.238 37.852 38.000 0.150 0.000 1.410 5 I HN 0.116 nan 8.210 nan 0.000 0.594 6 P HA 0.285 nan 4.420 nan 0.000 0.270 6 P C -0.793 176.592 177.300 0.141 0.000 1.223 6 P CA -0.158 63.007 63.100 0.108 0.000 0.785 6 P CB 0.570 32.328 31.700 0.097 0.000 0.923 7 L N 1.458 122.736 121.223 0.092 0.000 2.358 7 L HA 0.385 4.725 4.340 -0.001 0.000 0.268 7 L C 0.460 177.381 176.870 0.084 0.000 1.032 7 L CA -1.204 53.683 54.840 0.080 0.000 0.805 7 L CB 0.483 42.569 42.059 0.046 0.000 1.253 7 L HN 0.207 nan 8.230 nan 0.000 0.452 8 I N 1.836 122.447 120.570 0.068 0.000 2.598 8 I HA 0.073 4.242 4.170 -0.001 0.000 0.284 8 I C 1.274 177.412 176.117 0.036 0.000 1.140 8 I CA 1.044 62.376 61.300 0.053 0.000 1.420 8 I CB -0.092 37.932 38.000 0.040 0.000 1.387 8 I HN 0.934 nan 8.210 nan 0.000 0.553 9 G N 5.290 114.107 108.800 0.028 0.000 2.217 9 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.246 9 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.246 9 G C 0.335 175.246 174.900 0.017 0.000 0.990 9 G CA 0.040 45.148 45.100 0.013 0.000 0.627 9 G HN 0.596 nan 8.290 nan 0.000 0.522 10 E N 0.623 120.843 120.200 0.034 0.000 2.301 10 E HA 0.524 4.873 4.350 -0.001 0.000 0.275 10 E C 0.761 177.389 176.600 0.048 0.000 1.030 10 E CA -0.870 55.550 56.400 0.034 0.000 0.852 10 E CB 0.463 30.184 29.700 0.035 0.000 1.060 10 E HN 0.289 nan 8.360 nan 0.000 0.401 11 R N 3.527 124.052 120.500 0.041 0.000 2.537 11 R HA 0.033 4.373 4.340 -0.001 0.000 0.280 11 R C -0.495 175.867 176.300 0.103 0.000 1.058 11 R CA -0.251 55.891 56.100 0.070 0.000 1.057 11 R CB 0.312 30.645 30.300 0.054 0.000 0.973 11 R HN 0.494 nan 8.270 nan 0.000 0.438 12 F N 6.706 126.668 119.950 0.019 0.000 2.602 12 F HA 0.096 4.623 4.527 -0.001 0.000 0.385 12 F C -1.677 174.139 175.800 0.027 0.000 1.063 12 F CA -1.348 56.671 58.000 0.031 0.000 1.233 12 F CB 0.453 39.508 39.000 0.092 0.000 1.067 12 F HN 0.465 nan 8.300 nan 0.000 0.564 13 P HA -0.076 nan 4.420 nan 0.000 0.261 13 P C -0.810 176.410 177.300 -0.134 0.000 1.183 13 P CA 0.292 63.204 63.100 -0.313 0.000 0.761 13 P CB 0.366 31.803 31.700 -0.439 0.000 0.785 14 E N 4.278 124.466 120.200 -0.020 0.000 2.417 14 E HA 0.137 4.487 4.350 -0.001 0.000 0.261 14 E C 0.343 176.950 176.600 0.012 0.000 1.000 14 E CA 0.721 57.143 56.400 0.037 0.000 0.919 14 E CB 0.140 29.855 29.700 0.025 0.000 0.955 14 E HN 0.460 nan 8.360 nan 0.000 0.455 15 M N 0.315 119.943 119.600 0.047 0.000 2.490 15 M HA 0.371 4.850 4.480 -0.001 0.000 0.286 15 M C -0.853 175.461 176.300 0.024 0.000 1.185 15 M CA -0.801 54.513 55.300 0.024 0.000 0.912 15 M CB 2.233 34.841 32.600 0.014 0.000 1.744 15 M HN 0.112 nan 8.290 nan 0.000 0.494 16 E N 2.670 122.872 120.200 0.002 0.000 2.109 16 E HA 0.597 4.947 4.350 -0.001 0.000 0.278 16 E C -1.278 175.311 176.600 -0.017 0.000 0.954 16 E CA -0.755 55.637 56.400 -0.013 0.000 0.779 16 E CB 1.629 31.319 29.700 -0.016 0.000 1.093 16 E HN 0.642 nan 8.360 nan 0.000 0.401 17 V N 1.201 121.096 119.914 -0.031 0.000 2.864 17 V HA 0.622 4.741 4.120 -0.001 0.000 0.314 17 V C -0.218 175.845 176.094 -0.051 0.000 1.073 17 V CA -0.769 61.513 62.300 -0.030 0.000 0.956 17 V CB 1.881 33.694 31.823 -0.017 0.000 1.023 17 V HN 0.532 nan 8.190 nan 0.000 0.435 18 T N 3.113 117.642 114.554 -0.041 0.000 2.749 18 T HA 0.658 5.008 4.350 -0.001 0.000 0.287 18 T C 0.193 174.864 174.700 -0.049 0.000 0.970 18 T CA 0.058 62.126 62.100 -0.054 0.000 0.980 18 T CB 0.916 69.750 68.868 -0.057 0.000 0.924 18 T HN 1.250 nan 8.240 nan 0.000 0.456 19 T N -1.138 113.377 114.554 -0.065 0.000 2.926 19 T HA 0.404 4.754 4.350 -0.001 0.000 0.289 19 T C 0.626 175.278 174.700 -0.079 0.000 1.054 19 T CA -0.928 61.136 62.100 -0.061 0.000 1.015 19 T CB 1.438 70.256 68.868 -0.083 0.000 1.167 19 T HN 0.410 nan 8.240 nan 0.000 0.526 20 D N -1.084 119.249 120.400 -0.112 0.000 2.392 20 D HA -0.043 4.597 4.640 -0.001 0.000 0.228 20 D C 0.930 177.150 176.300 -0.134 0.000 1.003 20 D CA 0.807 54.720 54.000 -0.145 0.000 0.917 20 D CB -0.610 40.092 40.800 -0.164 0.000 0.890 20 D HN 0.867 nan 8.370 nan 0.000 0.532 21 H N -1.389 117.644 119.070 -0.063 0.000 2.827 21 H HA 0.467 5.023 4.556 -0.001 0.000 0.269 21 H C 0.960 176.241 175.328 -0.078 0.000 1.031 21 H CA -0.259 55.749 56.048 -0.065 0.000 1.202 21 H CB 1.169 30.892 29.762 -0.064 0.000 1.511 21 H HN 0.280 nan 8.280 nan 0.000 0.517 22 G N 0.323 109.133 108.800 0.017 0.000 2.316 22 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.349 22 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.349 22 G C -1.461 173.394 174.900 -0.075 0.000 1.274 22 G CA -0.676 44.404 45.100 -0.033 0.000 1.018 22 G HN 0.027 nan 8.290 nan 0.000 0.486 23 V N 1.290 121.156 119.914 -0.081 0.000 2.432 23 V HA 0.622 4.742 4.120 -0.001 0.000 0.275 23 V C 0.829 176.836 176.094 -0.145 0.000 1.043 23 V CA 0.253 62.497 62.300 -0.093 0.000 0.925 23 V CB 0.358 32.143 31.823 -0.063 0.000 0.985 23 V HN 0.998 nan 8.190 nan 0.000 0.466 24 I N 1.488 121.947 120.570 -0.185 0.000 2.969 24 I HA 0.694 4.864 4.170 -0.001 0.000 0.307 24 I C -0.715 175.308 176.117 -0.157 0.000 1.149 24 I CA -1.161 59.981 61.300 -0.264 0.000 1.008 24 I CB 2.310 39.945 38.000 -0.610 0.000 1.232 24 I HN 0.405 nan 8.210 nan 0.000 0.435 25 K N 4.180 124.513 120.400 -0.112 0.000 2.185 25 K HA 0.667 4.986 4.320 -0.001 0.000 0.269 25 K C -1.501 175.082 176.600 -0.028 0.000 0.987 25 K CA -0.600 55.660 56.287 -0.043 0.000 0.865 25 K CB 1.411 33.901 32.500 -0.016 0.000 1.090 25 K HN 0.648 nan 8.250 nan 0.000 0.450 26 L N 6.307 127.545 121.223 0.025 0.000 2.325 26 L HA 0.426 4.766 4.340 -0.001 0.000 0.278 26 L C -1.607 175.402 176.870 0.232 0.000 1.023 26 L CA -2.025 52.856 54.840 0.069 0.000 0.811 26 L CB 1.930 44.056 42.059 0.111 0.000 1.249 26 L HN 0.610 nan 8.230 nan 0.000 0.431 27 P HA 0.038 nan 4.420 nan 0.000 0.255 27 P C 0.308 177.667 177.300 0.098 0.000 1.248 27 P CA 0.165 63.361 63.100 0.160 0.000 0.807 27 P CB 0.402 32.330 31.700 0.379 0.000 1.150 28 D N 0.175 120.617 120.400 0.070 0.000 2.157 28 D HA -0.251 4.389 4.640 -0.001 0.000 0.191 28 D C 1.837 178.116 176.300 -0.034 0.000 1.004 28 D CA 1.549 55.566 54.000 0.028 0.000 0.854 28 D CB -1.158 39.654 40.800 0.019 0.000 0.936 28 D HN 0.317 nan 8.370 nan 0.000 0.446 29 H N -1.416 117.523 119.070 -0.219 0.000 2.460 29 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 29 H C 1.340 176.351 175.328 -0.529 0.000 1.103 29 H CA 1.673 57.469 56.048 -0.419 0.000 1.292 29 H CB -0.119 29.270 29.762 -0.622 0.000 1.376 29 H HN 0.354 nan 8.280 nan 0.000 0.531 30 Y N -2.133 118.062 120.300 -0.175 0.000 2.441 30 Y HA 0.050 4.600 4.550 -0.001 0.000 0.288 30 Y C 2.571 178.449 175.900 -0.035 0.000 1.118 30 Y CA 0.529 58.555 58.100 -0.124 0.000 1.215 30 Y CB 0.069 38.509 38.460 -0.034 0.000 1.118 30 Y HN -0.000 nan 8.280 nan 0.000 0.547 31 V N -0.528 119.461 119.914 0.125 0.000 2.392 31 V HA -0.293 3.827 4.120 -0.001 0.000 0.249 31 V C 2.081 178.185 176.094 0.016 0.000 1.059 31 V CA 2.242 64.586 62.300 0.073 0.000 1.051 31 V CB -0.799 31.063 31.823 0.066 0.000 0.658 31 V HN 0.352 nan 8.190 nan 0.000 0.455 32 S N -0.442 115.235 115.700 -0.038 0.000 2.399 32 S HA -0.218 4.252 4.470 -0.001 0.000 0.231 32 S C 1.771 176.330 174.600 -0.067 0.000 1.022 32 S CA 1.248 59.409 58.200 -0.065 0.000 0.983 32 S CB -0.254 62.877 63.200 -0.114 0.000 0.803 32 S HN 0.724 nan 8.310 nan 0.000 0.480 33 Q N -0.063 119.690 119.800 -0.078 0.000 2.319 33 Q HA 0.280 4.619 4.340 -0.001 0.000 0.202 33 Q C 1.110 177.130 176.000 0.032 0.000 0.896 33 Q CA 0.215 55.990 55.803 -0.047 0.000 0.942 33 Q CB 0.379 29.063 28.738 -0.089 0.000 1.083 33 Q HN 0.560 nan 8.270 nan 0.000 0.510 34 G N 1.972 110.804 108.800 0.053 0.000 2.225 34 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.267 34 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.267 34 G C -0.159 174.838 174.900 0.162 0.000 1.024 34 G CA 0.317 45.471 45.100 0.091 0.000 0.784 34 G HN 0.044 nan 8.290 nan 0.000 0.507 35 K N -1.043 119.478 120.400 0.201 0.000 2.203 35 K HA 0.501 4.820 4.320 -0.001 0.000 0.251 35 K C 0.022 176.841 176.600 0.364 0.000 0.944 35 K CA -0.939 55.528 56.287 0.299 0.000 0.829 35 K CB 1.172 33.838 32.500 0.278 0.000 1.125 35 K HN 0.134 nan 8.250 nan 0.000 0.430 36 W N 2.290 123.640 121.300 0.083 0.000 2.161 36 W HA 0.295 4.955 4.660 -0.001 0.000 0.344 36 W C 0.429 176.956 176.519 0.013 0.000 1.262 36 W CA -0.100 57.257 57.345 0.021 0.000 1.270 36 W CB 0.062 29.512 29.460 -0.017 0.000 1.126 36 W HN 0.458 nan 8.180 nan 0.000 0.598 37 F N -0.623 119.292 119.950 -0.058 0.000 2.591 37 F HA 0.721 5.248 4.527 -0.000 0.000 0.309 37 F C -1.584 174.087 175.800 -0.215 0.000 1.098 37 F CA -1.668 56.128 58.000 -0.341 0.000 0.937 37 F CB 0.606 39.006 39.000 -1.001 0.000 1.250 37 F HN -0.045 nan 8.300 nan 0.000 0.447 38 V N 4.883 124.736 119.914 -0.103 0.000 2.347 38 V HA 0.394 4.514 4.120 -0.001 0.000 0.280 38 V C -0.450 175.606 176.094 -0.064 0.000 1.021 38 V CA -0.591 61.667 62.300 -0.069 0.000 0.847 38 V CB 1.325 33.154 31.823 0.010 0.000 0.990 38 V HN 0.871 nan 8.190 nan 0.000 0.444 39 L N 7.269 128.481 121.223 -0.019 0.000 2.282 39 L HA 0.702 5.042 4.340 -0.001 0.000 0.288 39 L C -0.980 175.908 176.870 0.030 0.000 1.033 39 L CA -0.355 54.424 54.840 -0.102 0.000 0.807 39 L CB 0.801 42.880 42.059 0.033 0.000 1.209 39 L HN 0.670 nan 8.230 nan 0.000 0.423 40 F N 2.147 122.045 119.950 -0.085 0.000 2.507 40 F HA 0.687 5.214 4.527 -0.000 0.000 0.328 40 F C -0.105 175.653 175.800 -0.070 0.000 1.136 40 F CA -0.873 57.070 58.000 -0.095 0.000 0.930 40 F CB 0.960 39.831 39.000 -0.216 0.000 1.166 40 F HN 0.363 nan 8.300 nan 0.000 0.436 41 S N 2.431 118.152 115.700 0.033 0.000 2.617 41 S HA 0.596 5.066 4.470 -0.001 0.000 0.283 41 S C -1.081 173.399 174.600 -0.201 0.000 1.189 41 S CA -0.656 57.557 58.200 0.022 0.000 1.036 41 S CB 1.024 64.311 63.200 0.145 0.000 1.014 41 S HN 0.781 nan 8.310 nan 0.000 0.522 42 H N 0.760 119.957 119.070 0.212 0.000 2.771 42 H HA 0.306 4.862 4.556 -0.001 0.000 0.361 42 H C -2.332 173.065 175.328 0.116 0.000 1.108 42 H CA -1.698 54.462 56.048 0.187 0.000 1.201 42 H CB 2.036 31.945 29.762 0.244 0.000 1.681 42 H HN 0.360 nan 8.280 nan 0.000 0.534 43 P HA -0.031 nan 4.420 nan 0.000 0.216 43 P C -0.097 177.208 177.300 0.008 0.000 1.153 43 P CA 1.210 64.342 63.100 0.053 0.000 0.848 43 P CB 0.702 32.387 31.700 -0.025 0.000 0.787 44 A N -1.798 121.004 122.820 -0.031 0.000 2.610 44 A HA 0.487 4.807 4.320 -0.001 0.000 0.291 44 A C -1.540 175.789 177.584 -0.426 0.000 1.086 44 A CA -0.638 51.311 52.037 -0.146 0.000 0.677 44 A CB 0.453 19.354 19.000 -0.166 0.000 1.278 44 A HN -0.211 nan 8.150 nan 0.000 0.414 45 D N -0.327 119.725 120.400 -0.579 0.000 2.329 45 D HA 0.574 5.214 4.640 -0.001 0.000 0.246 45 D C -0.076 175.492 176.300 -1.220 0.000 1.111 45 D CA 0.304 53.450 54.000 -1.424 0.000 0.941 45 D CB -0.086 40.220 40.800 -0.824 0.000 1.169 45 D HN 0.501 nan 8.370 nan 0.000 0.441 46 F N -1.093 117.731 119.950 -1.877 0.000 2.969 46 F HA -0.228 4.298 4.527 -0.001 0.000 0.273 46 F C 0.276 175.703 175.800 -0.622 0.000 0.986 46 F CA 0.342 57.729 58.000 -1.022 0.000 0.926 46 F CB -2.075 36.527 39.000 -0.664 0.000 0.887 46 F HN 0.163 nan 8.300 nan 0.000 0.816 47 T N -2.177 112.106 114.554 -0.451 0.000 2.824 47 T HA 0.508 4.858 4.350 -0.001 0.000 0.282 47 T C -1.203 173.464 174.700 -0.056 0.000 0.993 47 T CA -1.795 60.184 62.100 -0.201 0.000 0.967 47 T CB 2.799 71.556 68.868 -0.184 0.000 0.960 47 T HN -0.129 nan 8.240 nan 0.000 0.441 48 P HA -0.074 nan 4.420 nan 0.000 0.214 48 P C 1.025 178.358 177.300 0.055 0.000 1.163 48 P CA 0.528 63.640 63.100 0.019 0.000 0.883 48 P CB -0.145 31.560 31.700 0.008 0.000 0.788 52 T N 1.499 116.119 114.554 0.110 0.000 2.788 52 T HA -0.064 4.286 4.350 -0.001 0.000 0.268 52 T C 1.575 176.354 174.700 0.132 0.000 1.044 52 T CA 1.844 64.014 62.100 0.117 0.000 1.139 52 T CB -0.333 68.587 68.868 0.087 0.000 0.867 52 T HN 0.462 nan 8.240 nan 0.000 0.454 53 E N 0.150 120.447 120.200 0.162 0.000 2.077 53 E HA -0.021 4.329 4.350 -0.001 0.000 0.193 53 E C 1.905 178.776 176.600 0.452 0.000 0.989 53 E CA 0.993 57.537 56.400 0.240 0.000 0.800 53 E CB -0.262 29.643 29.700 0.340 0.000 0.746 53 E HN 0.406 nan 8.360 nan 0.000 0.452 54 F N 0.562 120.617 119.950 0.175 0.000 2.095 54 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 54 F C 2.317 178.256 175.800 0.233 0.000 1.104 54 F CA 0.771 58.906 58.000 0.226 0.000 1.232 54 F CB -0.973 37.967 39.000 -0.099 0.000 0.987 54 F HN -0.102 nan 8.300 nan 0.000 0.475 55 V N -1.317 118.786 119.914 0.315 0.000 2.343 55 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 55 V C 2.559 178.755 176.094 0.170 0.000 1.051 55 V CA 1.908 64.324 62.300 0.193 0.000 1.036 55 V CB -0.942 30.970 31.823 0.147 0.000 0.654 55 V HN 0.385 nan 8.190 nan 0.000 0.451 56 S N -0.645 115.133 115.700 0.130 0.000 2.368 56 S HA -0.167 4.303 4.470 -0.001 0.000 0.225 56 S C 1.870 176.465 174.600 -0.008 0.000 1.030 56 S CA 1.627 59.832 58.200 0.009 0.000 0.999 56 S CB -0.408 62.724 63.200 -0.113 0.000 0.844 56 S HN 0.528 nan 8.310 nan 0.000 0.459 57 F N 1.626 121.602 119.950 0.044 0.000 2.171 57 F HA 0.028 4.555 4.527 -0.000 0.000 0.300 57 F C 2.574 178.518 175.800 0.239 0.000 1.090 57 F CA 0.953 58.959 58.000 0.009 0.000 1.293 57 F CB -0.483 38.300 39.000 -0.361 0.000 1.013 57 F HN 0.286 nan 8.300 nan 0.000 0.486 58 A N 0.010 123.112 122.820 0.471 0.000 1.969 58 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 58 A C 2.214 179.947 177.584 0.249 0.000 1.169 58 A CA 1.097 53.336 52.037 0.336 0.000 0.635 58 A CB -0.460 18.622 19.000 0.137 0.000 0.810 58 A HN 0.252 nan 8.150 nan 0.000 0.445 59 R N -0.793 119.823 120.500 0.193 0.000 2.189 59 R HA 0.041 4.380 4.340 -0.001 0.000 0.218 59 R C 1.100 177.499 176.300 0.165 0.000 1.074 59 R CA 0.852 57.038 56.100 0.143 0.000 0.991 59 R CB -0.076 30.279 30.300 0.091 0.000 0.883 59 R HN 0.414 nan 8.270 nan 0.000 0.457 60 R N -0.715 119.916 120.500 0.218 0.000 2.507 60 R HA 0.064 4.404 4.340 -0.001 0.000 0.298 60 R C 0.866 177.402 176.300 0.393 0.000 0.999 60 R CA -0.196 56.035 56.100 0.218 0.000 1.082 60 R CB 0.132 30.513 30.300 0.134 0.000 1.246 60 R HN 0.137 nan 8.270 nan 0.000 0.553 61 Y N 1.531 121.994 120.300 0.272 0.000 2.181 61 Y HA -0.239 4.311 4.550 -0.001 0.000 0.288 61 Y C 2.100 178.143 175.900 0.238 0.000 1.146 61 Y CA 1.800 60.073 58.100 0.289 0.000 1.164 61 Y CB 0.255 38.850 38.460 0.226 0.000 0.982 61 Y HN 0.003 nan 8.280 nan 0.000 0.515 62 E N 0.238 120.588 120.200 0.251 0.000 2.110 62 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 62 E C 1.577 178.214 176.600 0.061 0.000 0.988 62 E CA 1.771 58.250 56.400 0.131 0.000 0.804 62 E CB -0.224 29.555 29.700 0.132 0.000 0.745 62 E HN 0.546 nan 8.360 nan 0.000 0.458 63 D N -0.979 119.453 120.400 0.054 0.000 2.144 63 D HA -0.139 4.500 4.640 -0.001 0.000 0.199 63 D C 1.416 177.618 176.300 -0.164 0.000 0.984 63 D CA 0.933 54.902 54.000 -0.053 0.000 0.834 63 D CB -0.197 40.518 40.800 -0.142 0.000 0.955 63 D HN 0.203 nan 8.370 nan 0.000 0.465 64 F N 0.297 120.176 119.950 -0.118 0.000 2.128 64 F HA -0.100 4.427 4.527 -0.000 0.000 0.295 64 F C 2.578 178.282 175.800 -0.160 0.000 1.100 64 F CA 0.803 58.711 58.000 -0.153 0.000 1.260 64 F CB -0.234 38.673 39.000 -0.155 0.000 1.009 64 F HN -0.163 nan 8.300 nan 0.000 0.476 65 Q N 0.503 120.291 119.800 -0.019 0.000 2.135 65 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 65 Q C 2.198 178.188 176.000 -0.017 0.000 0.981 65 Q CA 1.507 57.273 55.803 -0.061 0.000 0.856 65 Q CB -0.244 28.420 28.738 -0.124 0.000 0.902 65 Q HN 0.197 nan 8.270 nan 0.000 0.425 66 R N -0.764 119.728 120.500 -0.014 0.000 2.148 66 R HA -0.014 4.326 4.340 -0.001 0.000 0.227 66 R C 1.497 177.779 176.300 -0.030 0.000 1.103 66 R CA 0.856 56.950 56.100 -0.009 0.000 0.983 66 R CB -0.040 30.262 30.300 0.003 0.000 0.874 66 R HN 0.313 nan 8.270 nan 0.000 0.451 67 L N -0.493 120.694 121.223 -0.060 0.000 2.599 67 L HA 0.177 4.516 4.340 -0.001 0.000 0.230 67 L C 0.838 177.633 176.870 -0.125 0.000 1.141 67 L CA 0.444 55.213 54.840 -0.118 0.000 0.877 67 L CB 0.276 42.221 42.059 -0.189 0.000 1.009 67 L HN 0.452 nan 8.230 nan 0.000 0.447 68 G N 0.933 109.708 108.800 -0.040 0.000 2.256 68 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.272 68 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.272 68 G C -0.282 174.661 174.900 0.072 0.000 1.076 68 G CA 0.038 45.150 45.100 0.020 0.000 0.882 68 G HN 0.114 nan 8.290 nan 0.000 0.497 69 V N 0.582 120.544 119.914 0.079 0.000 2.483 69 V HA 0.457 4.576 4.120 -0.001 0.000 0.297 69 V C -0.268 175.882 176.094 0.093 0.000 1.027 69 V CA -1.205 61.189 62.300 0.157 0.000 0.855 69 V CB 1.870 33.838 31.823 0.242 0.000 0.995 69 V HN 0.310 nan 8.190 nan 0.000 0.424 70 D N 3.663 124.100 120.400 0.061 0.000 2.253 70 D HA 0.607 5.247 4.640 -0.001 0.000 0.249 70 D C -0.501 175.713 176.300 -0.144 0.000 1.049 70 D CA -0.141 53.854 54.000 -0.008 0.000 0.929 70 D CB 2.373 43.258 40.800 0.141 0.000 1.176 70 D HN 0.302 nan 8.370 nan 0.000 0.437 71 L N 1.821 122.963 121.223 -0.135 0.000 2.329 71 L HA 0.609 4.949 4.340 -0.001 0.000 0.279 71 L C -0.207 176.518 176.870 -0.242 0.000 1.014 71 L CA -0.760 53.907 54.840 -0.288 0.000 0.814 71 L CB 2.100 43.860 42.059 -0.499 0.000 1.257 71 L HN 0.205 nan 8.230 nan 0.000 0.424 72 I N 1.179 121.446 120.570 -0.505 0.000 2.610 72 I HA 0.607 4.777 4.170 -0.001 0.000 0.289 72 I C -0.230 175.244 176.117 -1.071 0.000 1.163 72 I CA -0.171 60.831 61.300 -0.496 0.000 1.044 72 I CB 1.892 39.740 38.000 -0.253 0.000 1.251 72 I HN 0.622 nan 8.210 nan 0.000 0.424 73 G N 7.006 115.301 108.800 -0.842 0.000 2.462 73 G HA2 0.611 4.570 3.960 -0.001 0.000 0.319 73 G HA3 0.611 4.570 3.960 -0.001 0.000 0.319 73 G C -1.621 173.109 174.900 -0.283 0.000 1.171 73 G CA -0.519 44.089 45.100 -0.820 0.000 0.920 73 G HN 0.446 nan 8.290 nan 0.000 0.499 74 L N 0.725 121.933 121.223 -0.025 0.000 2.476 74 L HA 0.730 5.070 4.340 -0.001 0.000 0.269 74 L C -0.998 176.022 176.870 0.249 0.000 0.965 74 L CA -0.517 54.374 54.840 0.085 0.000 0.845 74 L CB 1.448 43.540 42.059 0.056 0.000 1.259 74 L HN 0.590 nan 8.230 nan 0.000 0.403 75 S N 3.431 119.273 115.700 0.237 0.000 2.548 75 S HA 0.546 5.016 4.470 -0.001 0.000 0.276 75 S C -0.653 174.122 174.600 0.292 0.000 1.129 75 S CA -0.434 57.945 58.200 0.297 0.000 0.931 75 S CB 1.753 65.141 63.200 0.312 0.000 1.068 75 S HN 0.361 nan 8.310 nan 0.000 0.480 76 V N 4.936 124.966 119.914 0.194 0.000 2.054 76 V HA 0.395 4.515 4.120 -0.001 0.000 0.243 76 V C -0.166 175.988 176.094 0.100 0.000 1.480 76 V CA 0.176 62.551 62.300 0.125 0.000 1.440 76 V CB -1.236 30.635 31.823 0.079 0.000 1.489 76 V HN 0.723 nan 8.190 nan 0.000 0.502 77 D N 0.351 120.816 120.400 0.109 0.000 2.653 77 D HA 0.262 4.901 4.640 -0.001 0.000 0.258 77 D C -0.191 175.971 176.300 -0.230 0.000 1.252 77 D CA -0.271 53.726 54.000 -0.004 0.000 0.777 77 D CB 2.355 43.191 40.800 0.059 0.000 1.339 77 D HN 0.443 nan 8.370 nan 0.000 0.422 78 S N -0.786 114.791 115.700 -0.205 0.000 2.606 78 S HA 0.076 4.546 4.470 -0.001 0.000 0.257 78 S C 1.256 175.518 174.600 -0.563 0.000 1.327 78 S CA -0.391 57.659 58.200 -0.251 0.000 0.984 78 S CB 1.083 64.288 63.200 0.008 0.000 0.941 78 S HN 0.306 nan 8.310 nan 0.000 0.576 79 V N 0.950 120.525 119.914 -0.565 0.000 2.667 79 V HA 0.005 4.125 4.120 -0.001 0.000 0.252 79 V C 1.610 177.447 176.094 -0.428 0.000 1.065 79 V CA 1.495 63.452 62.300 -0.571 0.000 1.083 79 V CB -1.077 30.394 31.823 -0.588 0.000 0.692 79 V HN 0.820 nan 8.190 nan 0.000 0.468 80 F N 0.002 119.926 119.950 -0.044 0.000 2.259 80 F HA -0.033 4.494 4.527 -0.001 0.000 0.298 80 F C 2.651 178.503 175.800 0.087 0.000 1.088 80 F CA 1.262 59.279 58.000 0.030 0.000 1.358 80 F CB -0.765 38.250 39.000 0.026 0.000 1.040 80 F HN 0.056 nan 8.300 nan 0.000 0.505 81 S N -0.830 114.992 115.700 0.204 0.000 2.368 81 S HA -0.177 4.292 4.470 -0.001 0.000 0.224 81 S C 1.803 176.580 174.600 0.294 0.000 1.029 81 S CA 1.153 59.505 58.200 0.253 0.000 0.988 81 S CB -0.425 62.873 63.200 0.164 0.000 0.838 81 S HN 0.359 nan 8.310 nan 0.000 0.462 82 H N 1.459 120.619 119.070 0.150 0.000 2.319 82 H HA 0.010 4.567 4.556 0.000 0.000 0.299 82 H C 2.084 177.491 175.328 0.131 0.000 1.092 82 H CA 1.126 57.278 56.048 0.173 0.000 1.302 82 H CB -0.752 29.057 29.762 0.079 0.000 1.373 82 H HN 0.369 nan 8.280 nan 0.000 0.497 83 I N 0.346 121.052 120.570 0.226 0.000 2.252 83 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 83 I C 2.281 178.532 176.117 0.222 0.000 1.102 83 I CA 1.000 62.397 61.300 0.161 0.000 1.385 83 I CB -0.142 37.937 38.000 0.131 0.000 1.064 83 I HN 0.056 nan 8.210 nan 0.000 0.414 84 K N 0.018 120.602 120.400 0.306 0.000 2.097 84 K HA -0.216 4.103 4.320 -0.001 0.000 0.206 84 K C 1.782 178.691 176.600 0.515 0.000 1.049 84 K CA 1.215 57.751 56.287 0.415 0.000 0.933 84 K CB -0.574 32.224 32.500 0.497 0.000 0.717 84 K HN 0.410 nan 8.250 nan 0.000 0.442 85 W N 2.456 123.777 121.300 0.036 0.000 2.379 85 W HA -0.099 4.560 4.660 -0.001 0.000 0.307 85 W C 1.701 178.242 176.519 0.036 0.000 1.200 85 W CA 1.188 58.335 57.345 -0.329 0.000 1.297 85 W CB -0.320 28.725 29.460 -0.692 0.000 1.140 85 W HN -0.010 nan 8.180 nan 0.000 0.507 86 K N -0.058 120.400 120.400 0.096 0.000 2.147 86 K HA -0.185 4.135 4.320 -0.001 0.000 0.205 86 K C 1.970 178.624 176.600 0.090 0.000 1.049 86 K CA 1.609 57.880 56.287 -0.027 0.000 0.936 86 K CB -0.258 32.183 32.500 -0.099 0.000 0.722 86 K HN 0.222 nan 8.250 nan 0.000 0.446 87 E N -0.467 119.849 120.200 0.193 0.000 2.072 87 E HA -0.207 4.143 4.350 -0.001 0.000 0.191 87 E C 1.697 178.467 176.600 0.283 0.000 0.985 87 E CA 0.973 57.495 56.400 0.203 0.000 0.801 87 E CB -0.096 29.741 29.700 0.228 0.000 0.750 87 E HN 0.395 nan 8.360 nan 0.000 0.452 88 W N 1.391 122.854 121.300 0.271 0.000 2.363 88 W HA -0.163 4.497 4.660 -0.001 0.000 0.296 88 W C 1.810 178.514 176.519 0.309 0.000 1.212 88 W CA 1.365 58.934 57.345 0.374 0.000 1.260 88 W CB -0.094 29.646 29.460 0.468 0.000 1.131 88 W HN -0.034 nan 8.180 nan 0.000 0.530 89 I N 0.111 120.955 120.570 0.457 0.000 2.202 89 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 89 I C 2.445 178.579 176.117 0.027 0.000 1.091 89 I CA 1.915 63.365 61.300 0.249 0.000 1.368 89 I CB -0.808 37.290 38.000 0.164 0.000 1.058 89 I HN 0.018 nan 8.210 nan 0.000 0.410 90 E N 0.996 121.200 120.200 0.007 0.000 2.204 90 E HA -0.263 4.087 4.350 -0.001 0.000 0.195 90 E C 2.312 178.856 176.600 -0.094 0.000 0.990 90 E CA 1.007 57.380 56.400 -0.044 0.000 0.821 90 E CB 0.126 29.803 29.700 -0.038 0.000 0.750 90 E HN 0.316 nan 8.360 nan 0.000 0.477 91 R N -0.914 119.505 120.500 -0.135 0.000 2.066 91 R HA -0.035 4.304 4.340 -0.001 0.000 0.224 91 R C 2.107 178.139 176.300 -0.446 0.000 1.122 91 R CA 1.140 57.077 56.100 -0.272 0.000 0.974 91 R CB 0.034 30.164 30.300 -0.284 0.000 0.871 91 R HN 0.277 nan 8.270 nan 0.000 0.435 92 H N -0.946 117.809 119.070 -0.524 0.000 2.547 92 H HA 0.133 4.689 4.556 -0.001 0.000 0.272 92 H C 1.571 176.683 175.328 -0.360 0.000 0.971 92 H CA 1.006 56.685 56.048 -0.616 0.000 1.245 92 H CB 0.738 29.677 29.762 -1.371 0.000 1.440 92 H HN 0.248 nan 8.280 nan 0.000 0.540 93 I N -0.982 119.495 120.570 -0.155 0.000 4.139 93 I HA 0.126 4.296 4.170 -0.001 0.000 0.320 93 I C 1.445 177.544 176.117 -0.030 0.000 1.290 93 I CA 0.486 61.771 61.300 -0.025 0.000 1.253 93 I CB 0.842 38.880 38.000 0.064 0.000 1.122 93 I HN 0.198 nan 8.210 nan 0.000 0.421 94 G N 2.128 110.887 108.800 -0.068 0.000 2.160 94 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.251 94 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.251 94 G C 0.057 174.935 174.900 -0.036 0.000 1.008 94 G CA 0.153 45.218 45.100 -0.060 0.000 0.724 94 G HN 0.192 nan 8.290 nan 0.000 0.514 95 V N 0.592 120.491 119.914 -0.025 0.000 2.409 95 V HA 0.497 4.617 4.120 -0.001 0.000 0.291 95 V C 0.764 176.827 176.094 -0.052 0.000 1.020 95 V CA -0.993 61.294 62.300 -0.021 0.000 0.848 95 V CB 1.673 33.503 31.823 0.012 0.000 0.990 95 V HN 0.421 nan 8.190 nan 0.000 0.430 96 R N 4.723 125.176 120.500 -0.078 0.000 2.298 96 R HA 0.383 4.723 4.340 -0.001 0.000 0.310 96 R C -0.723 175.450 176.300 -0.212 0.000 1.068 96 R CA -0.586 55.439 56.100 -0.125 0.000 0.957 96 R CB 0.576 30.808 30.300 -0.113 0.000 1.003 96 R HN 0.529 nan 8.270 nan 0.000 0.454 97 I N 8.666 129.055 120.570 -0.302 0.000 2.291 97 I HA 0.173 4.342 4.170 -0.001 0.000 0.292 97 I C -1.674 174.043 176.117 -0.667 0.000 1.064 97 I CA -2.676 58.279 61.300 -0.574 0.000 1.269 97 I CB 0.937 38.523 38.000 -0.689 0.000 1.418 97 I HN 0.548 nan 8.210 nan 0.000 0.485 98 P HA 0.000 nan 4.420 nan 0.000 0.217 98 P C 0.363 177.488 177.300 -0.293 0.000 1.153 98 P CA 0.513 63.306 63.100 -0.511 0.000 0.843 98 P CB 0.044 31.253 31.700 -0.818 0.000 0.794 99 F N 0.882 120.735 119.950 -0.163 0.000 2.496 99 F HA 0.451 4.977 4.527 -0.001 0.000 0.344 99 F C -2.270 173.454 175.800 -0.127 0.000 1.155 99 F CA -3.423 54.588 58.000 0.019 0.000 1.302 99 F CB -1.499 37.532 39.000 0.052 0.000 1.159 99 F HN -0.157 nan 8.300 nan 0.000 0.595 100 P HA 0.275 nan 4.420 nan 0.000 0.272 100 P C -0.696 176.512 177.300 -0.153 0.000 1.223 100 P CA -0.040 62.945 63.100 -0.191 0.000 0.784 100 P CB 1.298 33.018 31.700 0.034 0.000 0.923 101 I N 2.282 122.707 120.570 -0.243 0.000 2.436 101 I HA 0.337 4.506 4.170 -0.001 0.000 0.289 101 I C 0.584 176.656 176.117 -0.076 0.000 1.010 101 I CA -1.080 60.101 61.300 -0.198 0.000 1.098 101 I CB 1.416 39.219 38.000 -0.330 0.000 1.266 101 I HN 0.142 nan 8.210 nan 0.000 0.434 102 I N 5.476 126.019 120.570 -0.044 0.000 2.517 102 I HA 0.166 4.336 4.170 -0.001 0.000 0.285 102 I C 0.855 177.084 176.117 0.187 0.000 1.106 102 I CA 0.124 61.444 61.300 0.032 0.000 1.402 102 I CB 0.703 38.707 38.000 0.006 0.000 1.399 102 I HN 0.651 nan 8.210 nan 0.000 0.535 103 A N 5.154 128.080 122.820 0.177 0.000 2.347 103 A HA 0.216 4.536 4.320 -0.001 0.000 0.287 103 A C -0.074 177.552 177.584 0.070 0.000 1.199 103 A CA -0.200 51.919 52.037 0.137 0.000 0.851 103 A CB -0.011 18.924 19.000 -0.109 0.000 1.118 103 A HN 0.703 nan 8.150 nan 0.000 0.525 104 D N 3.793 124.257 120.400 0.106 0.000 2.634 104 D HA 0.389 5.028 4.640 -0.001 0.000 0.318 104 D C -2.719 173.609 176.300 0.047 0.000 1.226 104 D CA -1.729 52.311 54.000 0.066 0.000 0.899 104 D CB 0.769 41.619 40.800 0.084 0.000 1.025 104 D HN 0.224 nan 8.370 nan 0.000 0.501 105 P HA 0.192 nan 4.420 nan 0.000 0.274 105 P C 0.119 177.431 177.300 0.019 0.000 1.237 105 P CA 0.050 63.159 63.100 0.015 0.000 0.793 105 P CB 0.821 32.523 31.700 0.002 0.000 0.977 106 Q N 0.397 120.209 119.800 0.021 0.000 2.258 106 Q HA -0.220 4.120 4.340 -0.001 0.000 0.167 106 Q C 0.890 176.905 176.000 0.025 0.000 0.586 106 Q CA 1.020 56.835 55.803 0.020 0.000 1.398 106 Q CB -2.375 26.372 28.738 0.015 0.000 1.415 106 Q HN 0.945 nan 8.270 nan 0.000 0.903 107 G N 0.263 109.082 108.800 0.033 0.000 2.366 107 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.299 107 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.299 107 G C 0.464 175.383 174.900 0.031 0.000 1.020 107 G CA 1.031 46.155 45.100 0.040 0.000 1.026 107 G HN 0.405 nan 8.290 nan 0.000 0.512 108 T N -0.491 114.077 114.554 0.023 0.000 2.732 108 T HA -0.086 4.264 4.350 -0.001 0.000 0.261 108 T C 2.651 177.356 174.700 0.009 0.000 1.040 108 T CA 1.596 63.703 62.100 0.013 0.000 1.145 108 T CB -0.120 68.753 68.868 0.007 0.000 0.866 108 T HN 0.332 nan 8.240 nan 0.000 0.427 109 V N 2.013 121.935 119.914 0.014 0.000 2.358 109 V HA -0.120 4.000 4.120 -0.001 0.000 0.246 109 V C 2.960 179.062 176.094 0.013 0.000 1.047 109 V CA 1.553 63.857 62.300 0.007 0.000 1.035 109 V CB -1.372 30.465 31.823 0.024 0.000 0.658 109 V HN 0.521 nan 8.190 nan 0.000 0.452 110 A N -0.058 122.788 122.820 0.044 0.000 1.940 110 A HA -0.266 4.053 4.320 -0.001 0.000 0.219 110 A C 2.431 180.051 177.584 0.060 0.000 1.176 110 A CA 2.196 54.276 52.037 0.071 0.000 0.631 110 A CB -0.538 18.513 19.000 0.085 0.000 0.814 110 A HN 0.479 nan 8.150 nan 0.000 0.446 111 R N -1.275 119.247 120.500 0.037 0.000 2.090 111 R HA -0.068 4.271 4.340 -0.001 0.000 0.228 111 R C 2.379 178.684 176.300 0.008 0.000 1.110 111 R CA 1.334 57.450 56.100 0.027 0.000 0.973 111 R CB -0.137 30.174 30.300 0.019 0.000 0.869 111 R HN 0.395 nan 8.270 nan 0.000 0.440 112 R N 0.472 120.963 120.500 -0.015 0.000 2.148 112 R HA 0.001 4.340 4.340 -0.001 0.000 0.227 112 R C 1.550 177.800 176.300 -0.084 0.000 1.103 112 R CA 1.295 57.364 56.100 -0.052 0.000 0.983 112 R CB -0.219 30.039 30.300 -0.070 0.000 0.874 112 R HN 0.253 nan 8.270 nan 0.000 0.451 113 L N -0.904 120.278 121.223 -0.068 0.000 2.592 113 L HA 0.288 4.628 4.340 -0.001 0.000 0.227 113 L C 0.928 177.866 176.870 0.113 0.000 1.127 113 L CA 0.418 55.219 54.840 -0.065 0.000 0.884 113 L CB 0.113 42.081 42.059 -0.151 0.000 1.065 113 L HN 0.528 nan 8.230 nan 0.000 0.457 114 G N 0.451 109.301 108.800 0.083 0.000 2.160 114 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.251 114 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.251 114 G C 0.686 175.664 174.900 0.130 0.000 1.008 114 G CA 0.344 45.499 45.100 0.092 0.000 0.724 114 G HN 0.355 nan 8.290 nan 0.000 0.514 115 L N -1.348 119.977 121.223 0.171 0.000 2.395 115 L HA 0.361 4.701 4.340 -0.001 0.000 0.218 115 L C 1.747 178.690 176.870 0.122 0.000 1.130 115 L CA 0.493 55.451 54.840 0.196 0.000 0.826 115 L CB -0.136 42.068 42.059 0.243 0.000 0.941 115 L HN 0.309 nan 8.230 nan 0.000 0.451 122 T N -0.718 113.911 114.554 0.124 0.000 10.479 122 T HA -0.404 3.945 4.350 -0.001 0.000 0.411 122 T C 1.290 176.033 174.700 0.071 0.000 1.504 122 T CA 2.831 64.982 62.100 0.084 0.000 2.475 122 T CB -1.962 66.926 68.868 0.033 0.000 2.895 122 T HN 0.790 nan 8.240 nan 0.000 1.096 123 H N 0.477 119.575 119.070 0.046 0.000 2.456 123 H HA -0.054 4.502 4.556 -0.001 0.000 0.296 123 H C 2.550 177.917 175.328 0.065 0.000 1.079 123 H CA 1.958 58.036 56.048 0.050 0.000 1.322 123 H CB -0.301 29.483 29.762 0.038 0.000 1.388 123 H HN 0.801 nan 8.280 nan 0.000 0.538 124 T N -0.501 114.162 114.554 0.181 0.000 2.962 124 T HA -0.033 4.317 4.350 -0.001 0.000 0.270 124 T C 1.273 176.058 174.700 0.142 0.000 1.088 124 T CA 0.175 62.357 62.100 0.137 0.000 1.127 124 T CB -0.682 68.248 68.868 0.103 0.000 0.883 124 T HN -0.053 nan 8.240 nan 0.000 0.493 125 V N 3.161 123.154 119.914 0.131 0.000 2.304 125 V HA 0.283 4.403 4.120 -0.001 0.000 0.239 125 V C 0.329 176.509 176.094 0.144 0.000 1.201 125 V CA 0.189 62.572 62.300 0.140 0.000 1.254 125 V CB -1.407 30.487 31.823 0.119 0.000 1.335 125 V HN 0.343 nan 8.190 nan 0.000 0.491 126 R N 2.288 122.896 120.500 0.179 0.000 2.643 126 R HA 0.779 5.119 4.340 -0.001 0.000 0.269 126 R C -0.231 176.197 176.300 0.214 0.000 1.037 126 R CA -0.270 55.925 56.100 0.159 0.000 0.894 126 R CB 2.317 32.718 30.300 0.168 0.000 1.238 126 R HN 0.708 nan 8.270 nan 0.000 0.459 127 G N 0.493 109.339 108.800 0.077 0.000 2.282 127 G HA2 0.158 4.118 3.960 -0.001 0.000 0.274 127 G HA3 0.158 4.118 3.960 -0.001 0.000 0.274 127 G C -1.681 173.097 174.900 -0.203 0.000 1.718 127 G CA -0.812 44.158 45.100 -0.218 0.000 0.927 127 G HN 0.275 nan 8.290 nan 0.000 0.733 128 V N 1.302 120.978 119.914 -0.397 0.000 2.472 128 V HA 0.776 4.896 4.120 -0.001 0.000 0.290 128 V C -0.505 175.345 176.094 -0.407 0.000 1.037 128 V CA -0.703 61.499 62.300 -0.164 0.000 0.908 128 V CB 1.293 33.096 31.823 -0.034 0.000 0.985 128 V HN 0.569 nan 8.190 nan 0.000 0.454 129 F N 4.141 124.058 119.950 -0.055 0.000 2.477 129 F HA 0.622 5.149 4.527 -0.000 0.000 0.335 129 F C 0.003 175.721 175.800 -0.136 0.000 1.130 129 F CA -0.550 57.414 58.000 -0.060 0.000 0.948 129 F CB 1.529 40.553 39.000 0.040 0.000 1.154 129 F HN 0.256 nan 8.300 nan 0.000 0.439 130 I N 4.562 125.142 120.570 0.016 0.000 2.312 130 I HA 0.457 4.626 4.170 -0.001 0.000 0.290 130 I C -0.886 175.140 176.117 -0.152 0.000 1.008 130 I CA -0.673 60.607 61.300 -0.033 0.000 1.226 130 I CB 1.187 39.239 38.000 0.086 0.000 1.371 130 I HN 0.207 nan 8.210 nan 0.000 0.468 131 V N 5.419 125.074 119.914 -0.433 0.000 2.531 131 V HA 0.265 4.385 4.120 -0.001 0.000 0.301 131 V C -0.378 175.304 176.094 -0.687 0.000 1.034 131 V CA -0.863 61.057 62.300 -0.632 0.000 0.865 131 V CB 1.801 32.917 31.823 -1.179 0.000 0.995 131 V HN 0.781 nan 8.190 nan 0.000 0.424 132 D N 4.329 124.210 120.400 -0.866 0.000 2.414 132 D HA 0.360 5.000 4.640 -0.001 0.000 0.251 132 D C 1.240 177.022 176.300 -0.863 0.000 1.252 132 D CA 0.040 53.077 54.000 -1.604 0.000 0.999 132 D CB 1.116 40.857 40.800 -1.766 0.000 1.093 132 D HN 0.489 nan 8.370 nan 0.000 0.515 133 A N -0.415 121.912 122.820 -0.823 0.000 2.067 133 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 133 A C 2.042 179.552 177.584 -0.124 0.000 1.158 133 A CA 0.871 52.776 52.037 -0.220 0.000 0.661 133 A CB -0.586 18.408 19.000 -0.009 0.000 0.801 133 A HN 0.520 nan 8.150 nan 0.000 0.452 134 R N -1.360 119.026 120.500 -0.189 0.000 2.307 134 R HA 0.169 4.509 4.340 -0.001 0.000 0.199 134 R C 1.328 177.593 176.300 -0.059 0.000 1.000 134 R CA 0.599 56.641 56.100 -0.097 0.000 1.023 134 R CB -0.106 30.133 30.300 -0.103 0.000 0.908 134 R HN 0.661 nan 8.270 nan 0.000 0.473 135 G N 0.225 108.979 108.800 -0.077 0.000 2.141 135 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.242 135 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.242 135 G C 0.048 174.948 174.900 -0.000 0.000 0.982 135 G CA -0.014 45.100 45.100 0.023 0.000 0.662 135 G HN 0.136 nan 8.290 nan 0.000 0.527 136 V N 1.654 121.503 119.914 -0.108 0.000 2.509 136 V HA 0.484 4.604 4.120 -0.001 0.000 0.284 136 V C 1.149 177.177 176.094 -0.111 0.000 1.047 136 V CA -0.681 61.572 62.300 -0.079 0.000 0.952 136 V CB 1.639 33.403 31.823 -0.098 0.000 0.988 136 V HN 0.303 nan 8.190 nan 0.000 0.469 137 I N 6.061 126.631 120.570 -0.001 0.000 2.452 137 I HA 0.226 4.396 4.170 -0.001 0.000 0.287 137 I C 1.218 177.334 176.117 -0.001 0.000 1.079 137 I CA -0.046 61.274 61.300 0.034 0.000 1.387 137 I CB 0.548 38.658 38.000 0.183 0.000 1.404 137 I HN 0.626 nan 8.210 nan 0.000 0.522 138 R N 3.382 123.866 120.500 -0.026 0.000 2.221 138 R HA 0.266 4.605 4.340 -0.001 0.000 0.195 138 R C -0.148 176.172 176.300 0.033 0.000 0.956 138 R CA 0.469 56.568 56.100 -0.001 0.000 1.064 138 R CB 0.450 30.752 30.300 0.004 0.000 1.049 138 R HN 0.542 nan 8.270 nan 0.000 0.534 139 T N 1.676 116.248 114.554 0.030 0.000 3.097 139 T HA 0.502 4.852 4.350 -0.001 0.000 0.332 139 T C -0.557 174.113 174.700 -0.050 0.000 1.269 139 T CA -0.729 61.379 62.100 0.014 0.000 1.076 139 T CB 2.258 71.148 68.868 0.037 0.000 1.209 139 T HN 0.079 nan 8.240 nan 0.000 0.474 140 M N 2.530 122.070 119.600 -0.100 0.000 2.213 140 M HA 0.672 5.151 4.480 -0.001 0.000 0.286 140 M C -1.780 174.336 176.300 -0.306 0.000 1.008 140 M CA -0.936 54.167 55.300 -0.327 0.000 0.937 140 M CB 1.332 33.651 32.600 -0.467 0.000 1.600 140 M HN 0.334 nan 8.290 nan 0.000 0.450 141 L N 3.590 124.581 121.223 -0.385 0.000 2.317 141 L HA 0.567 4.907 4.340 -0.001 0.000 0.281 141 L C -1.413 175.229 176.870 -0.380 0.000 1.024 141 L CA -0.710 54.022 54.840 -0.180 0.000 0.810 141 L CB 1.201 43.314 42.059 0.090 0.000 1.240 141 L HN 0.648 nan 8.230 nan 0.000 0.427 142 Y N 1.877 122.178 120.300 0.001 0.000 2.749 142 Y HA 0.384 4.934 4.550 -0.001 0.000 0.343 142 Y C -0.625 175.285 175.900 0.017 0.000 1.015 142 Y CA -0.609 57.502 58.100 0.018 0.000 1.270 142 Y CB 0.534 38.974 38.460 -0.032 0.000 1.097 142 Y HN 0.330 nan 8.280 nan 0.000 0.571 143 Y N 4.246 124.596 120.300 0.083 0.000 2.299 143 Y HA 0.320 4.869 4.550 -0.001 0.000 0.326 143 Y C -1.793 174.160 175.900 0.088 0.000 1.164 143 Y CA -2.486 55.657 58.100 0.072 0.000 1.234 143 Y CB 0.615 39.103 38.460 0.046 0.000 1.219 143 Y HN 0.361 nan 8.280 nan 0.000 0.497 144 P HA 0.021 nan 4.420 nan 0.000 0.272 144 P C 0.290 177.692 177.300 0.170 0.000 1.230 144 P CA -0.256 62.936 63.100 0.154 0.000 0.788 144 P CB 0.774 32.537 31.700 0.104 0.000 0.949 145 M N 0.670 120.357 119.600 0.146 0.000 2.374 145 M HA -0.090 4.390 4.480 -0.001 0.000 0.264 145 M C 1.363 177.735 176.300 0.120 0.000 1.067 145 M CA 1.527 56.908 55.300 0.135 0.000 1.103 145 M CB -0.773 31.902 32.600 0.125 0.000 1.402 145 M HN 0.244 nan 8.290 nan 0.000 0.444 146 E N 1.470 121.738 120.200 0.112 0.000 2.481 146 E HA 0.068 4.417 4.350 -0.001 0.000 0.195 146 E C 0.278 176.936 176.600 0.097 0.000 1.047 146 E CA 0.258 56.714 56.400 0.092 0.000 0.867 146 E CB 0.091 29.838 29.700 0.077 0.000 0.858 146 E HN 0.622 nan 8.360 nan 0.000 0.513 147 L N 1.697 122.997 121.223 0.129 0.000 2.343 147 L HA 0.479 4.819 4.340 -0.001 0.000 0.278 147 L C 0.186 177.143 176.870 0.145 0.000 0.996 147 L CA -0.760 54.171 54.840 0.151 0.000 0.831 147 L CB 1.659 43.842 42.059 0.207 0.000 1.232 147 L HN 0.041 nan 8.230 nan 0.000 0.413 148 G N 3.923 112.770 108.800 0.077 0.000 2.544 148 G HA2 0.249 4.209 3.960 -0.001 0.000 0.242 148 G HA3 0.249 4.209 3.960 -0.001 0.000 0.242 148 G C -0.171 174.647 174.900 -0.136 0.000 1.247 148 G CA -0.423 44.679 45.100 0.002 0.000 0.840 148 G HN 0.629 nan 8.290 nan 0.000 0.578 149 R N -0.432 119.881 120.500 -0.311 0.000 2.528 149 R HA 0.294 4.634 4.340 -0.001 0.000 0.271 149 R C -0.457 175.618 176.300 -0.374 0.000 1.056 149 R CA -0.803 54.902 56.100 -0.658 0.000 1.117 149 R CB 1.150 31.058 30.300 -0.654 0.000 1.085 149 R HN 0.333 nan 8.270 nan 0.000 0.530 150 L N 3.200 124.227 121.223 -0.327 0.000 2.328 150 L HA 0.100 4.440 4.340 -0.001 0.000 0.280 150 L C 0.657 177.394 176.870 -0.222 0.000 1.111 150 L CA 0.108 54.843 54.840 -0.175 0.000 0.909 150 L CB 1.126 43.158 42.059 -0.045 0.000 1.277 150 L HN 0.542 nan 8.230 nan 0.000 0.433 151 V N 2.716 122.438 119.914 -0.319 0.000 2.594 151 V HA -0.204 3.916 4.120 -0.001 0.000 0.253 151 V C 1.670 177.597 176.094 -0.278 0.000 1.069 151 V CA 1.639 63.676 62.300 -0.439 0.000 1.082 151 V CB -0.623 30.750 31.823 -0.749 0.000 0.680 151 V HN 0.735 nan 8.190 nan 0.000 0.469 152 D N -0.051 120.219 120.400 -0.216 0.000 2.218 152 D HA -0.176 4.464 4.640 -0.001 0.000 0.204 152 D C 2.181 178.385 176.300 -0.160 0.000 0.976 152 D CA 1.287 55.167 54.000 -0.201 0.000 0.853 152 D CB 0.063 40.811 40.800 -0.088 0.000 0.939 152 D HN 0.510 nan 8.370 nan 0.000 0.481 153 E N 0.841 120.985 120.200 -0.093 0.000 2.152 153 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 153 E C 1.954 178.533 176.600 -0.035 0.000 0.983 153 E CA 0.487 56.869 56.400 -0.030 0.000 0.818 153 E CB -0.253 29.459 29.700 0.018 0.000 0.758 153 E HN 0.185 nan 8.360 nan 0.000 0.467 154 I N 0.183 120.723 120.570 -0.050 0.000 2.226 154 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 154 I C 2.213 178.278 176.117 -0.087 0.000 1.100 154 I CA 0.878 62.189 61.300 0.018 0.000 1.374 154 I CB -0.271 37.826 38.000 0.163 0.000 1.057 154 I HN 0.134 nan 8.210 nan 0.000 0.413 155 L N -0.253 120.769 121.223 -0.336 0.000 2.083 155 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 155 L C 2.716 179.364 176.870 -0.370 0.000 1.083 155 L CA 1.345 55.773 54.840 -0.686 0.000 0.752 155 L CB -0.547 40.724 42.059 -1.313 0.000 0.899 155 L HN 0.187 nan 8.230 nan 0.000 0.433 156 R N 0.611 121.031 120.500 -0.133 0.000 2.062 156 R HA -0.155 4.184 4.340 -0.001 0.000 0.231 156 R C 2.378 178.720 176.300 0.069 0.000 1.136 156 R CA 1.553 57.717 56.100 0.107 0.000 0.948 156 R CB -0.312 30.072 30.300 0.140 0.000 0.845 156 R HN 0.234 nan 8.270 nan 0.000 0.430 157 I N 0.479 121.065 120.570 0.027 0.000 2.087 157 I HA -0.368 3.802 4.170 -0.001 0.000 0.240 157 I C 2.407 178.521 176.117 -0.005 0.000 1.054 157 I CA 1.638 62.956 61.300 0.029 0.000 1.311 157 I CB -0.355 37.672 38.000 0.044 0.000 1.024 157 I HN 0.065 nan 8.210 nan 0.000 0.402 158 V N 0.786 120.667 119.914 -0.055 0.000 2.255 158 V HA -0.347 3.772 4.120 -0.001 0.000 0.247 158 V C 2.509 178.451 176.094 -0.254 0.000 1.051 158 V CA 2.375 64.563 62.300 -0.186 0.000 1.018 158 V CB -0.715 30.966 31.823 -0.237 0.000 0.641 158 V HN 0.408 nan 8.190 nan 0.000 0.445 159 K N 0.884 121.201 120.400 -0.139 0.000 2.074 159 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 159 K C 2.009 178.569 176.600 -0.068 0.000 1.048 159 K CA 1.919 58.173 56.287 -0.054 0.000 0.926 159 K CB -0.654 31.938 32.500 0.154 0.000 0.713 159 K HN 0.415 nan 8.250 nan 0.000 0.444 160 A N 0.163 122.950 122.820 -0.055 0.000 1.898 160 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 160 A C 1.983 179.460 177.584 -0.178 0.000 1.181 160 A CA 1.322 53.246 52.037 -0.188 0.000 0.620 160 A CB -0.550 18.377 19.000 -0.122 0.000 0.819 160 A HN 0.282 nan 8.150 nan 0.000 0.442 161 L N -0.011 121.159 121.223 -0.089 0.000 2.056 161 L HA -0.091 4.249 4.340 -0.001 0.000 0.207 161 L C 2.337 179.214 176.870 0.011 0.000 1.078 161 L CA 1.789 56.636 54.840 0.012 0.000 0.749 161 L CB -0.796 41.377 42.059 0.190 0.000 0.901 161 L HN 0.346 nan 8.230 nan 0.000 0.433 162 K N -0.752 119.559 120.400 -0.149 0.000 2.097 162 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 162 K C 2.103 178.663 176.600 -0.067 0.000 1.049 162 K CA 1.097 57.301 56.287 -0.139 0.000 0.933 162 K CB -0.229 32.077 32.500 -0.324 0.000 0.717 162 K HN 0.267 nan 8.250 nan 0.000 0.442 163 L N -0.144 121.015 121.223 -0.107 0.000 2.072 163 L HA -0.089 4.250 4.340 -0.001 0.000 0.205 163 L C 2.537 179.343 176.870 -0.107 0.000 1.079 163 L CA 1.211 55.987 54.840 -0.106 0.000 0.752 163 L CB -0.684 41.275 42.059 -0.166 0.000 0.906 163 L HN 0.317 nan 8.230 nan 0.000 0.436 164 G N -0.385 108.336 108.800 -0.131 0.000 2.418 164 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.217 164 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.217 164 G C 1.099 175.978 174.900 -0.036 0.000 1.158 164 G CA 0.860 45.896 45.100 -0.107 0.000 0.771 164 G HN 0.290 nan 8.290 nan 0.000 0.545 165 D N 0.569 120.977 120.400 0.013 0.000 2.144 165 D HA -0.090 4.550 4.640 -0.001 0.000 0.200 165 D C 2.959 179.280 176.300 0.034 0.000 0.978 165 D CA 1.594 55.623 54.000 0.049 0.000 0.833 165 D CB -0.189 40.687 40.800 0.126 0.000 0.961 165 D HN 0.487 nan 8.370 nan 0.000 0.470 166 S N -0.619 115.094 115.700 0.023 0.000 2.439 166 S HA 0.012 4.482 4.470 -0.001 0.000 0.224 166 S C 1.605 176.211 174.600 0.010 0.000 1.029 166 S CA 0.061 58.274 58.200 0.021 0.000 0.946 166 S CB -0.001 63.212 63.200 0.021 0.000 0.797 166 S HN 0.025 nan 8.310 nan 0.000 0.504 167 L N 0.973 122.191 121.223 -0.007 0.000 2.567 167 L HA 0.424 4.764 4.340 -0.001 0.000 0.225 167 L C 0.214 177.079 176.870 -0.009 0.000 1.119 167 L CA 0.382 55.218 54.840 -0.007 0.000 0.871 167 L CB -1.076 40.971 42.059 -0.020 0.000 1.036 167 L HN 0.255 nan 8.230 nan 0.000 0.459 168 K N 0.386 120.778 120.400 -0.013 0.000 3.393 168 K HA -0.193 4.126 4.320 -0.001 0.000 0.272 168 K C -0.328 176.248 176.600 -0.039 0.000 1.004 168 K CA 0.382 56.660 56.287 -0.015 0.000 0.764 168 K CB -1.012 31.490 32.500 0.002 0.000 1.373 168 K HN 0.093 nan 8.250 nan 0.000 0.458 169 R N -0.388 120.074 120.500 -0.064 0.000 2.808 169 R HA 0.735 5.074 4.340 -0.001 0.000 0.272 169 R C -0.542 175.687 176.300 -0.118 0.000 0.995 169 R CA -0.551 55.491 56.100 -0.096 0.000 0.917 169 R CB 1.863 32.099 30.300 -0.106 0.000 1.217 169 R HN 0.225 nan 8.270 nan 0.000 0.471 170 A N 1.033 123.774 122.820 -0.132 0.000 2.306 170 A HA 0.657 4.977 4.320 -0.001 0.000 0.330 170 A C -0.547 176.919 177.584 -0.195 0.000 1.146 170 A CA -0.570 51.382 52.037 -0.141 0.000 0.827 170 A CB 1.168 20.098 19.000 -0.117 0.000 1.178 170 A HN 0.300 nan 8.150 nan 0.000 0.490 171 V N 3.820 123.612 119.914 -0.203 0.000 2.384 171 V HA 0.407 4.527 4.120 -0.001 0.000 0.287 171 V C -1.843 174.177 176.094 -0.123 0.000 1.020 171 V CA -1.120 61.016 62.300 -0.274 0.000 0.850 171 V CB 1.249 32.862 31.823 -0.350 0.000 0.987 171 V HN 0.937 nan 8.190 nan 0.000 0.436 172 P HA 0.320 nan 4.420 nan 0.000 0.274 172 P C -0.383 176.968 177.300 0.085 0.000 1.256 172 P CA -0.346 62.765 63.100 0.019 0.000 0.795 172 P CB 0.809 32.539 31.700 0.050 0.000 1.038 173 A N 1.111 123.971 122.820 0.068 0.000 2.511 173 A HA 0.114 4.433 4.320 -0.001 0.000 0.242 173 A C 0.651 178.291 177.584 0.094 0.000 1.069 173 A CA 0.370 52.450 52.037 0.072 0.000 0.763 173 A CB -0.882 18.148 19.000 0.049 0.000 1.001 173 A HN 0.712 nan 8.150 nan 0.000 0.498 174 D N -0.799 119.658 120.400 0.096 0.000 3.076 174 D HA -0.177 4.463 4.640 -0.001 0.000 0.218 174 D C -0.246 176.114 176.300 0.100 0.000 1.156 174 D CA 1.537 55.583 54.000 0.077 0.000 0.921 174 D CB -1.892 38.927 40.800 0.031 0.000 1.113 174 D HN 0.786 nan 8.370 nan 0.000 0.418 175 W N 2.632 123.921 121.300 -0.018 0.000 2.257 175 W HA 0.187 4.846 4.660 -0.001 0.000 0.337 175 W C -1.436 175.074 176.519 -0.017 0.000 1.321 175 W CA -0.715 56.618 57.345 -0.021 0.000 1.267 175 W CB 0.582 30.029 29.460 -0.021 0.000 1.187 175 W HN -0.097 nan 8.180 nan 0.000 0.565 176 P HA 0.056 nan 4.420 nan 0.000 0.253 176 P C -0.628 176.320 177.300 -0.587 0.000 1.459 176 P CA 0.474 62.688 63.100 -1.477 0.000 0.908 176 P CB 0.225 30.910 31.700 -1.693 0.000 1.470 177 N N 0.853 119.376 118.700 -0.294 0.000 2.699 177 N HA 0.064 4.803 4.740 -0.001 0.000 0.317 177 N C -0.247 175.215 175.510 -0.079 0.000 1.661 177 N CA -0.140 52.812 53.050 -0.163 0.000 0.979 177 N CB -0.022 38.386 38.487 -0.132 0.000 1.329 177 N HN 0.194 nan 8.380 nan 0.000 0.497 178 N N 1.004 119.672 118.700 -0.053 0.000 2.497 178 N HA 0.028 4.767 4.740 -0.001 0.000 0.271 178 N C 0.611 176.095 175.510 -0.042 0.000 1.142 178 N CA 0.180 53.221 53.050 -0.014 0.000 0.965 178 N CB 1.278 39.781 38.487 0.026 0.000 1.077 178 N HN 0.202 nan 8.380 nan 0.000 0.462 179 E N 2.697 122.875 120.200 -0.037 0.000 2.268 179 E HA -0.112 4.237 4.350 -0.001 0.000 0.195 179 E C 1.252 177.812 176.600 -0.068 0.000 0.995 179 E CA 1.007 57.380 56.400 -0.045 0.000 0.836 179 E CB 0.310 29.989 29.700 -0.034 0.000 0.763 179 E HN 0.677 nan 8.360 nan 0.000 0.491 180 I N 0.218 120.733 120.570 -0.091 0.000 2.364 180 I HA -0.075 4.095 4.170 -0.001 0.000 0.241 180 I C 2.167 178.146 176.117 -0.230 0.000 1.082 180 I CA 0.757 61.961 61.300 -0.160 0.000 1.401 180 I CB 0.082 37.970 38.000 -0.187 0.000 1.126 180 I HN 0.086 nan 8.210 nan 0.000 0.429 181 I N -2.107 118.306 120.570 -0.263 0.000 4.082 181 I HA 0.553 4.723 4.170 -0.001 0.000 0.337 181 I C 1.206 177.252 176.117 -0.119 0.000 1.352 181 I CA 0.110 61.173 61.300 -0.395 0.000 1.097 181 I CB 0.140 37.597 38.000 -0.905 0.000 1.048 181 I HN 0.289 nan 8.210 nan 0.000 0.393 182 G N 3.763 112.524 108.800 -0.066 0.000 2.565 182 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.295 182 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.295 182 G C 0.584 175.454 174.900 -0.049 0.000 1.165 182 G CA 0.667 45.740 45.100 -0.044 0.000 0.977 182 G HN 0.765 nan 8.290 nan 0.000 0.546 183 E N 1.733 121.910 120.200 -0.039 0.000 2.403 183 E HA 0.431 4.781 4.350 -0.001 0.000 0.188 183 E C 1.131 177.952 176.600 0.369 0.000 1.056 183 E CA 0.271 56.635 56.400 -0.060 0.000 0.892 183 E CB -0.035 29.565 29.700 -0.167 0.000 1.049 183 E HN 0.892 nan 8.360 nan 0.000 0.465 184 G N 1.193 110.180 108.800 0.312 0.000 2.606 184 G HA2 0.423 4.382 3.960 -0.001 0.000 0.252 184 G HA3 0.423 4.382 3.960 -0.001 0.000 0.252 184 G C -0.588 174.507 174.900 0.325 0.000 1.206 184 G CA -0.485 44.837 45.100 0.370 0.000 0.861 184 G HN 0.185 nan 8.290 nan 0.000 0.561 185 L N 0.066 121.429 121.223 0.234 0.000 2.408 185 L HA 0.372 4.712 4.340 -0.001 0.000 0.268 185 L C -0.592 176.296 176.870 0.030 0.000 0.986 185 L CA -0.884 53.974 54.840 0.031 0.000 0.820 185 L CB 2.350 44.371 42.059 -0.062 0.000 1.303 185 L HN 0.314 nan 8.230 nan 0.000 0.411 186 I N 2.664 123.181 120.570 -0.087 0.000 2.533 186 I HA 0.060 4.230 4.170 -0.001 0.000 0.284 186 I C 0.134 176.159 176.117 -0.153 0.000 1.109 186 I CA 0.100 61.313 61.300 -0.145 0.000 1.412 186 I CB 1.119 38.966 38.000 -0.255 0.000 1.396 186 I HN 0.172 nan 8.210 nan 0.000 0.543 187 V N 9.401 129.192 119.914 -0.206 0.000 2.470 187 V HA 0.133 4.252 4.120 -0.001 0.000 0.276 187 V C -1.915 174.076 176.094 -0.173 0.000 1.040 187 V CA -1.491 60.645 62.300 -0.273 0.000 1.008 187 V CB 0.154 31.612 31.823 -0.608 0.000 0.990 187 V HN 0.621 nan 8.190 nan 0.000 0.477 188 P HA 0.053 nan 4.420 nan 0.000 0.260 188 P C -2.238 175.062 177.300 -0.001 0.000 1.172 188 P CA -0.521 62.550 63.100 -0.048 0.000 0.760 188 P CB -0.274 31.410 31.700 -0.026 0.000 0.773 189 P HA 0.138 nan 4.420 nan 0.000 0.269 189 P C -2.493 174.936 177.300 0.214 0.000 1.215 189 P CA -1.121 62.067 63.100 0.148 0.000 0.780 189 P CB -0.632 31.161 31.700 0.155 0.000 0.898 190 P HA 0.098 nan 4.420 nan 0.000 0.271 190 P C 0.706 178.179 177.300 0.289 0.000 1.218 190 P CA 0.183 63.464 63.100 0.301 0.000 0.780 190 P CB 0.130 32.036 31.700 0.343 0.000 0.901 191 T N -3.292 111.349 114.554 0.144 0.000 3.040 191 T HA 0.212 4.561 4.350 -0.001 0.000 0.266 191 T C 0.444 175.166 174.700 0.037 0.000 1.005 191 T CA -0.040 62.123 62.100 0.105 0.000 0.906 191 T CB -0.421 68.493 68.868 0.077 0.000 1.082 191 T HN 0.530 nan 8.240 nan 0.000 0.531 192 T N -1.483 113.069 114.554 -0.003 0.000 2.901 192 T HA 0.542 4.892 4.350 -0.001 0.000 0.293 192 T C 0.397 175.019 174.700 -0.131 0.000 1.084 192 T CA -0.766 61.303 62.100 -0.051 0.000 1.008 192 T CB 2.441 71.293 68.868 -0.027 0.000 1.170 192 T HN -0.052 nan 8.240 nan 0.000 0.509 193 E N 0.058 120.171 120.200 -0.145 0.000 2.152 193 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 193 E C 1.216 177.732 176.600 -0.139 0.000 0.983 193 E CA 0.887 57.168 56.400 -0.198 0.000 0.818 193 E CB 0.051 29.658 29.700 -0.155 0.000 0.758 193 E HN 0.588 nan 8.360 nan 0.000 0.467 194 D N 0.672 121.023 120.400 -0.081 0.000 2.117 194 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 194 D C 1.907 178.188 176.300 -0.031 0.000 0.987 194 D CA 0.971 54.943 54.000 -0.047 0.000 0.829 194 D CB -0.071 40.713 40.800 -0.027 0.000 0.961 194 D HN 0.213 nan 8.370 nan 0.000 0.460 195 Q N 0.138 119.924 119.800 -0.023 0.000 2.084 195 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 195 Q C 2.157 178.174 176.000 0.029 0.000 0.978 195 Q CA 1.348 57.162 55.803 0.018 0.000 0.844 195 Q CB -0.061 28.701 28.738 0.040 0.000 0.898 195 Q HN 0.193 nan 8.270 nan 0.000 0.426 196 A N 0.860 123.647 122.820 -0.055 0.000 1.969 196 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 196 A C 1.982 179.544 177.584 -0.036 0.000 1.169 196 A CA 1.313 53.300 52.037 -0.084 0.000 0.635 196 A CB -0.381 18.263 19.000 -0.594 0.000 0.810 196 A HN 0.207 nan 8.150 nan 0.000 0.445 197 R N -0.423 120.037 120.500 -0.068 0.000 2.062 197 R HA -0.017 4.323 4.340 -0.001 0.000 0.229 197 R C 2.258 178.567 176.300 0.014 0.000 1.128 197 R CA 1.312 57.394 56.100 -0.029 0.000 0.960 197 R CB -0.377 29.897 30.300 -0.044 0.000 0.855 197 R HN 0.403 nan 8.270 nan 0.000 0.432 198 A N 0.483 123.314 122.820 0.019 0.000 2.019 198 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 198 A C 2.088 179.709 177.584 0.061 0.000 1.164 198 A CA 1.366 53.423 52.037 0.032 0.000 0.644 198 A CB -0.382 18.636 19.000 0.029 0.000 0.805 198 A HN 0.272 nan 8.150 nan 0.000 0.449 199 R N -0.939 119.622 120.500 0.101 0.000 2.073 199 R HA 0.034 4.373 4.340 -0.001 0.000 0.229 199 R C 2.005 178.385 176.300 0.133 0.000 1.120 199 R CA 1.648 57.844 56.100 0.160 0.000 0.967 199 R CB -0.305 30.133 30.300 0.230 0.000 0.862 199 R HN 0.393 nan 8.270 nan 0.000 0.436 200 M N 0.217 119.888 119.600 0.119 0.000 2.319 200 M HA -0.037 4.443 4.480 -0.001 0.000 0.265 200 M C 1.611 177.939 176.300 0.047 0.000 1.068 200 M CA 1.465 56.821 55.300 0.094 0.000 1.118 200 M CB -0.495 32.169 32.600 0.108 0.000 1.395 200 M HN 0.219 nan 8.290 nan 0.000 0.435 201 E N 0.279 120.499 120.200 0.033 0.000 2.076 201 E HA -0.109 4.240 4.350 -0.001 0.000 0.190 201 E C 2.113 178.709 176.600 -0.006 0.000 0.979 201 E CA 1.506 57.913 56.400 0.011 0.000 0.807 201 E CB 0.055 29.759 29.700 0.007 0.000 0.761 201 E HN 0.535 nan 8.360 nan 0.000 0.454 202 S N -0.109 115.586 115.700 -0.008 0.000 2.368 202 S HA -0.099 4.370 4.470 -0.001 0.000 0.225 202 S C 1.976 176.529 174.600 -0.079 0.000 1.030 202 S CA 0.913 59.084 58.200 -0.048 0.000 0.999 202 S CB -0.718 62.444 63.200 -0.063 0.000 0.844 202 S HN 0.399 nan 8.310 nan 0.000 0.459 203 G N 1.805 110.567 108.800 -0.063 0.000 2.187 203 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.261 203 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.261 203 G C 0.674 175.479 174.900 -0.158 0.000 1.000 203 G CA 0.745 45.797 45.100 -0.079 0.000 0.718 203 G HN 0.905 nan 8.290 nan 0.000 0.519 204 Q N -1.417 118.209 119.800 -0.289 0.000 2.472 204 Q HA 0.272 4.612 4.340 -0.001 0.000 0.208 204 Q C 0.421 176.065 176.000 -0.594 0.000 0.958 204 Q CA 0.517 56.034 55.803 -0.476 0.000 0.932 204 Q CB 0.028 28.386 28.738 -0.633 0.000 1.007 204 Q HN 0.639 nan 8.270 nan 0.000 0.508 205 Y N 0.308 120.539 120.300 -0.114 0.000 2.462 205 Y HA 0.455 5.004 4.550 -0.001 0.000 0.346 205 Y C -0.149 175.562 175.900 -0.316 0.000 0.976 205 Y CA -1.646 56.338 58.100 -0.193 0.000 1.044 205 Y CB 1.375 39.750 38.460 -0.141 0.000 1.230 205 Y HN -0.176 nan 8.280 nan 0.000 0.455 206 R N 1.584 121.848 120.500 -0.392 0.000 2.522 206 R HA 0.249 4.588 4.340 -0.001 0.000 0.284 206 R C -0.262 175.510 176.300 -0.880 0.000 1.032 206 R CA 0.165 55.794 56.100 -0.785 0.000 1.049 206 R CB 0.626 30.103 30.300 -1.372 0.000 0.956 206 R HN 0.575 nan 8.270 nan 0.000 0.422 207 S N 2.104 117.525 115.700 -0.465 0.000 2.570 207 S HA 0.453 4.923 4.470 -0.001 0.000 0.286 207 S C -0.337 174.316 174.600 0.089 0.000 1.099 207 S CA -0.727 57.416 58.200 -0.095 0.000 0.913 207 S CB 1.610 64.797 63.200 -0.023 0.000 1.085 207 S HN 0.486 nan 8.310 nan 0.000 0.480 208 L N 2.172 123.485 121.223 0.151 0.000 2.694 208 L HA 0.633 4.973 4.340 -0.001 0.000 0.228 208 L C -0.021 176.712 176.870 -0.228 0.000 1.048 208 L CA 0.805 55.615 54.840 -0.050 0.000 0.887 208 L CB 0.475 42.370 42.059 -0.273 0.000 1.265 208 L HN 0.729 nan 8.230 nan 0.000 0.492 209 D N -2.868 117.323 120.400 -0.349 0.000 2.759 209 D HA 0.087 4.727 4.640 -0.001 0.000 0.321 209 D C 0.385 176.492 176.300 -0.321 0.000 1.267 209 D CA -0.228 53.499 54.000 -0.455 0.000 0.933 209 D CB 0.428 40.619 40.800 -1.015 0.000 1.431 209 D HN 0.044 nan 8.370 nan 0.000 0.504 210 W N 1.017 122.245 121.300 -0.120 0.000 2.392 210 W HA -0.040 4.620 4.660 -0.001 0.000 0.279 210 W C 1.171 177.748 176.519 0.096 0.000 1.225 210 W CA 0.527 57.893 57.345 0.034 0.000 1.233 210 W CB -0.802 28.729 29.460 0.119 0.000 1.122 210 W HN 0.493 nan 8.180 nan 0.000 0.561 211 W N -1.433 119.459 121.300 -0.680 0.000 3.290 211 W HA 0.315 4.974 4.660 -0.001 0.000 0.287 211 W C -0.487 175.923 176.519 -0.182 0.000 1.288 211 W CA -0.683 56.298 57.345 -0.606 0.000 1.725 211 W CB -1.464 27.278 29.460 -1.195 0.000 1.103 211 W HN -0.181 nan 8.180 nan 0.000 0.670 212 F N 2.459 122.072 119.950 -0.563 0.000 2.564 212 F HA 0.456 4.982 4.527 -0.001 0.000 0.361 212 F C -0.744 175.033 175.800 -0.039 0.000 1.161 212 F CA -0.442 57.357 58.000 -0.334 0.000 1.198 212 F CB 0.215 38.799 39.000 -0.693 0.000 1.424 212 F HN -0.294 nan 8.300 nan 0.000 0.517 213 C N 3.005 122.348 119.300 0.071 0.000 2.507 213 C HA 0.745 5.205 4.460 -0.001 0.000 0.319 213 C C -0.923 174.145 174.990 0.131 0.000 1.208 213 C CA -0.788 58.295 59.018 0.110 0.000 1.619 213 C CB 0.378 28.086 27.740 -0.053 0.000 2.230 213 C HN 0.942 nan 8.230 nan 0.000 0.492 214 W N 2.417 123.680 121.300 -0.061 0.000 3.075 214 W HA 0.757 5.417 4.660 -0.001 0.000 0.334 214 W C -1.337 175.216 176.519 0.057 0.000 1.243 214 W CA -0.601 56.707 57.345 -0.062 0.000 1.170 214 W CB 0.691 30.139 29.460 -0.021 0.000 1.452 214 W HN 0.660 nan 8.180 nan 0.000 0.572 215 D N -0.468 120.021 120.400 0.148 0.000 2.867 215 D HA 0.522 5.162 4.640 -0.001 0.000 0.308 215 D C -0.659 175.782 176.300 0.235 0.000 1.202 215 D CA -0.517 53.547 54.000 0.107 0.000 1.035 215 D CB 1.038 41.917 40.800 0.133 0.000 1.427 215 D HN 0.440 nan 8.370 nan 0.000 0.570 216 T N -2.619 112.039 114.554 0.173 0.000 3.427 216 T HA 0.432 4.781 4.350 -0.001 0.000 0.306 216 T C -2.021 172.761 174.700 0.136 0.000 1.733 216 T CA -0.995 61.216 62.100 0.185 0.000 1.599 216 T CB 0.694 69.665 68.868 0.172 0.000 0.964 216 T HN 0.237 nan 8.240 nan 0.000 0.701 217 P HA 0.311 nan 4.420 nan 0.000 0.245 217 P C 0.517 177.871 177.300 0.089 0.000 1.206 217 P CA -0.103 63.051 63.100 0.090 0.000 0.781 217 P CB 0.012 31.755 31.700 0.072 0.000 0.994 218 A N 1.019 123.917 122.820 0.130 0.000 2.401 218 A HA 0.447 4.767 4.320 -0.001 0.000 0.259 218 A C 0.815 178.469 177.584 0.118 0.000 1.103 218 A CA -0.206 51.920 52.037 0.148 0.000 0.789 218 A CB 0.040 19.215 19.000 0.292 0.000 1.035 218 A HN 0.288 nan 8.150 nan 0.000 0.491 219 S N 2.124 117.875 115.700 0.084 0.000 2.600 219 S HA 0.167 4.637 4.470 -0.001 0.000 0.265 219 S C 1.226 175.851 174.600 0.041 0.000 1.325 219 S CA 0.097 58.328 58.200 0.053 0.000 1.002 219 S CB 0.656 63.877 63.200 0.034 0.000 0.921 219 S HN 0.812 nan 8.310 nan 0.000 0.554 220 R N 0.435 120.945 120.500 0.017 0.000 2.091 220 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 220 R C 0.975 177.259 176.300 -0.027 0.000 1.136 220 R CA 2.079 58.174 56.100 -0.008 0.000 0.959 220 R CB -0.560 29.733 30.300 -0.013 0.000 0.856 220 R HN 0.761 nan 8.270 nan 0.000 0.437 221 D N 0.315 120.703 120.400 -0.020 0.000 2.219 221 D HA -0.116 4.523 4.640 -0.001 0.000 0.205 221 D C 1.292 177.567 176.300 -0.043 0.000 0.970 221 D CA 0.915 54.894 54.000 -0.037 0.000 0.851 221 D CB -0.201 40.584 40.800 -0.026 0.000 0.943 221 D HN 0.259 nan 8.370 nan 0.000 0.488 222 D N 0.044 120.442 120.400 -0.003 0.000 2.084 222 D HA -0.083 4.556 4.640 -0.001 0.000 0.196 222 D C 2.323 178.630 176.300 0.012 0.000 0.985 222 D CA 0.509 54.529 54.000 0.034 0.000 0.826 222 D CB -0.212 40.654 40.800 0.110 0.000 0.978 222 D HN 0.055 nan 8.370 nan 0.000 0.456 223 V N 1.419 121.322 119.914 -0.018 0.000 2.343 223 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 223 V C 2.287 178.233 176.094 -0.245 0.000 1.051 223 V CA 1.596 63.780 62.300 -0.194 0.000 1.036 223 V CB -0.451 31.264 31.823 -0.179 0.000 0.654 223 V HN 0.197 nan 8.190 nan 0.000 0.451 224 E N -0.312 119.783 120.200 -0.174 0.000 2.106 224 E HA -0.235 4.115 4.350 -0.001 0.000 0.192 224 E C 2.276 178.727 176.600 -0.248 0.000 0.984 224 E CA 1.077 57.366 56.400 -0.184 0.000 0.806 224 E CB -0.074 29.548 29.700 -0.129 0.000 0.750 224 E HN 0.663 nan 8.360 nan 0.000 0.458 225 E N 0.433 120.474 120.200 -0.265 0.000 2.153 225 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 225 E C 1.936 178.085 176.600 -0.752 0.000 0.988 225 E CA 0.806 56.944 56.400 -0.436 0.000 0.811 225 E CB 0.035 29.551 29.700 -0.306 0.000 0.746 225 E HN 0.198 nan 8.360 nan 0.000 0.466 226 A N 0.955 123.507 122.820 -0.447 0.000 1.929 226 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 226 A C 2.087 179.492 177.584 -0.299 0.000 1.176 226 A CA 0.895 52.735 52.037 -0.328 0.000 0.628 226 A CB -0.236 18.655 19.000 -0.181 0.000 0.816 226 A HN 0.109 nan 8.150 nan 0.000 0.444 227 R N -0.945 119.372 120.500 -0.305 0.000 2.148 227 R HA 0.016 4.356 4.340 -0.001 0.000 0.223 227 R C 2.341 178.531 176.300 -0.184 0.000 1.088 227 R CA 0.919 56.887 56.100 -0.219 0.000 0.985 227 R CB -0.184 29.992 30.300 -0.206 0.000 0.880 227 R HN 0.456 nan 8.270 nan 0.000 0.451 228 R N -0.273 120.068 120.500 -0.265 0.000 2.081 228 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 228 R C 1.911 178.158 176.300 -0.090 0.000 1.131 228 R CA 1.720 57.696 56.100 -0.206 0.000 0.960 228 R CB -0.241 29.893 30.300 -0.276 0.000 0.856 228 R HN 0.363 nan 8.270 nan 0.000 0.436 229 Y N 0.212 120.463 120.300 -0.082 0.000 2.181 229 Y HA -0.223 4.326 4.550 -0.000 0.000 0.288 229 Y C 2.190 178.046 175.900 -0.073 0.000 1.146 229 Y CA 0.533 58.581 58.100 -0.088 0.000 1.164 229 Y CB -0.147 38.251 38.460 -0.103 0.000 0.982 229 Y HN 0.026 nan 8.280 nan 0.000 0.515 230 L N -0.661 120.609 121.223 0.079 0.000 2.217 230 L HA -0.130 4.210 4.340 -0.001 0.000 0.211 230 L C 2.586 179.454 176.870 -0.002 0.000 1.107 230 L CA 0.535 55.389 54.840 0.023 0.000 0.783 230 L CB -0.375 41.681 42.059 -0.006 0.000 0.919 230 L HN 0.116 nan 8.230 nan 0.000 0.442 231 R N 0.561 121.050 120.500 -0.019 0.000 2.075 231 R HA -0.113 4.226 4.340 -0.001 0.000 0.232 231 R C 2.310 178.605 176.300 -0.008 0.000 1.126 231 R CA 1.314 57.399 56.100 -0.025 0.000 0.963 231 R CB -0.350 29.922 30.300 -0.045 0.000 0.858 231 R HN 0.305 nan 8.270 nan 0.000 0.435 232 R N -0.074 120.431 120.500 0.008 0.000 2.075 232 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 232 R C 1.993 178.298 176.300 0.007 0.000 1.126 232 R CA 1.454 57.562 56.100 0.014 0.000 0.963 232 R CB -0.224 30.096 30.300 0.034 0.000 0.858 232 R HN 0.163 nan 8.270 nan 0.000 0.435 233 A N 0.580 123.405 122.820 0.007 0.000 1.933 233 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 233 A C 2.280 179.864 177.584 -0.000 0.000 1.175 233 A CA 1.620 53.655 52.037 -0.003 0.000 0.628 233 A CB -0.611 18.387 19.000 -0.003 0.000 0.814 233 A HN 0.541 nan 8.150 nan 0.000 0.444 234 A N -0.654 122.166 122.820 -0.000 0.000 1.970 234 A HA 0.087 4.407 4.320 -0.001 0.000 0.216 234 A C 0.893 178.477 177.584 -0.000 0.000 1.170 234 A CA 0.434 52.470 52.037 -0.001 0.000 0.645 234 A CB -0.121 18.875 19.000 -0.007 0.000 0.816 234 A HN 0.410 nan 8.150 nan 0.000 0.447 235 E N 0.623 120.822 120.200 -0.000 0.000 2.331 235 E HA 0.248 4.598 4.350 -0.001 0.000 0.272 235 E C -0.345 176.259 176.600 0.007 0.000 1.036 235 E CA -0.412 55.989 56.400 0.002 0.000 0.864 235 E CB 1.001 30.701 29.700 -0.000 0.000 1.035 235 E HN 0.283 nan 8.360 nan 0.000 0.408 236 K N 4.242 124.648 120.400 0.010 0.000 2.412 236 K HA 0.107 4.426 4.320 -0.001 0.000 0.284 236 K C -2.134 174.477 176.600 0.018 0.000 1.046 236 K CA -1.053 55.244 56.287 0.016 0.000 0.999 236 K CB 0.098 32.609 32.500 0.018 0.000 0.941 236 K HN 0.155 nan 8.250 nan 0.000 0.474 237 P HA 0.081 nan 4.420 nan 0.000 0.267 237 P C -1.105 176.210 177.300 0.025 0.000 1.205 237 P CA -0.356 62.758 63.100 0.024 0.000 0.765 237 P CB 1.122 32.841 31.700 0.032 0.000 0.828 238 A N 3.646 126.477 122.820 0.018 0.000 2.409 238 A HA 0.352 4.671 4.320 -0.001 0.000 0.267 238 A C 0.255 177.848 177.584 0.014 0.000 1.127 238 A CA -0.267 51.779 52.037 0.014 0.000 0.795 238 A CB -0.334 18.671 19.000 0.008 0.000 1.061 238 A HN 0.626 nan 8.150 nan 0.000 0.502 239 K N 1.083 121.489 120.400 0.011 0.000 6.399 239 K HA -0.097 4.223 4.320 -0.001 0.000 0.786 239 K C -0.986 175.622 176.600 0.014 0.000 1.948 239 K CA 0.129 56.416 56.287 0.001 0.000 1.668 239 K CB -1.141 31.355 32.500 -0.006 0.000 2.091 239 K HN 0.721 nan 8.250 nan 0.000 0.304 240 L N 4.919 126.153 121.223 0.017 0.000 2.399 240 L HA 0.213 4.552 4.340 -0.001 0.000 0.266 240 L C 1.871 178.755 176.870 0.023 0.000 1.114 240 L CA -0.657 54.222 54.840 0.065 0.000 0.804 240 L CB 0.583 42.746 42.059 0.173 0.000 1.146 240 L HN 0.589 nan 8.230 nan 0.000 0.451 241 L N 1.310 122.585 121.223 0.088 0.000 2.240 241 L HA -0.182 4.158 4.340 -0.001 0.000 0.211 241 L C 2.127 179.038 176.870 0.067 0.000 1.106 241 L CA 0.865 55.743 54.840 0.063 0.000 0.793 241 L CB -0.289 41.822 42.059 0.087 0.000 0.927 241 L HN 0.732 nan 8.230 nan 0.000 0.446 242 Y N 0.401 120.726 120.300 0.042 0.000 2.421 242 Y HA 0.017 4.567 4.550 -0.001 0.000 0.292 242 Y C 1.151 177.072 175.900 0.035 0.000 1.136 242 Y CA -0.187 57.943 58.100 0.049 0.000 1.255 242 Y CB -0.651 37.848 38.460 0.065 0.000 0.991 242 Y HN 0.143 nan 8.280 nan 0.000 0.552 243 E N 0.000 119.772 120.200 -0.713 0.000 2.725 243 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 243 E CA 0.000 56.008 56.400 -0.653 0.000 0.976 243 E CB 0.000 29.392 29.700 -0.514 0.000 0.812 243 E HN 0.000 nan 8.360 nan 0.000 0.440