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 1jqd_1_A DATA FIRST_RESID 5 DATA SEQUENCE MRSLFXXHGK YVESFRRFLN HSTEHQCMQE FMDKKLPGII GRIGDTKSEI DATA SEQUENCE KILSIGGGAG EIDLQILSKV QAQYPGVCIN NEVVEPSAEQ IAKYKELVAK DATA SEQUENCE TSNLENVKFA WHKETSSEYQ SRMLEKKELQ KWDFIHMIQM LYYVKDIPAT DATA SEQUENCE LKFFHSLLGT NAKMLIIVVS GSSGWDKLWK KYGSRFPQDD LCQYITSDDL DATA SEQUENCE TQMLDNLGLK YECYDLLSTM DISDCFIDGN ENGDLLWDFL TETCNFNATA DATA SEQUENCE PPDLRAELGK DLQEPEFSAK KEGKVLFNNT LSFIVIEA 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.347 176.300 0.078 0.000 1.140 5 M CA 0.000 55.347 55.300 0.078 0.000 0.988 5 M CB 0.000 32.666 32.600 0.111 0.000 1.302 6 R N 0.505 121.046 120.500 0.069 0.000 2.407 6 R HA 0.544 4.883 4.340 -0.001 0.000 0.303 6 R C 0.458 176.795 176.300 0.062 0.000 0.981 6 R CA -0.510 55.623 56.100 0.055 0.000 0.905 6 R CB 2.291 32.616 30.300 0.042 0.000 1.099 6 R HN 0.497 nan 8.270 nan 0.000 0.459 7 S N 1.934 117.660 115.700 0.044 0.000 2.525 7 S HA 0.032 4.502 4.470 -0.001 0.000 0.285 7 S C 1.894 176.509 174.600 0.025 0.000 1.283 7 S CA -0.292 57.925 58.200 0.028 0.000 1.072 7 S CB 0.455 63.654 63.200 -0.002 0.000 0.867 7 S HN 0.583 nan 8.310 nan 0.000 0.492 8 L N 3.935 125.183 121.223 0.040 0.000 2.671 8 L HA 0.194 4.533 4.340 -0.001 0.000 0.236 8 L C 1.175 178.080 176.870 0.058 0.000 1.178 8 L CA 2.295 57.191 54.840 0.092 0.000 0.829 8 L CB -2.416 39.742 42.059 0.166 0.000 0.956 8 L HN 0.825 nan 8.230 nan 0.000 0.455 13 G N 0.630 109.492 108.800 0.103 0.000 2.464 13 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.217 13 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.217 13 G C 1.625 176.594 174.900 0.115 0.000 1.138 13 G CA 1.045 46.204 45.100 0.098 0.000 0.793 13 G HN 0.575 nan 8.290 nan 0.000 0.539 14 K N -0.762 119.715 120.400 0.127 0.000 2.155 14 K HA 0.009 4.328 4.320 -0.001 0.000 0.203 14 K C 2.045 178.754 176.600 0.181 0.000 1.052 14 K CA 0.604 56.971 56.287 0.132 0.000 0.948 14 K CB -0.230 32.344 32.500 0.123 0.000 0.728 14 K HN 0.340 nan 8.250 nan 0.000 0.448 15 Y N 1.646 122.006 120.300 0.101 0.000 2.114 15 Y HA -0.268 4.281 4.550 -0.001 0.000 0.284 15 Y C 2.005 178.024 175.900 0.198 0.000 1.143 15 Y CA 1.224 59.408 58.100 0.140 0.000 1.135 15 Y CB -0.445 38.060 38.460 0.076 0.000 0.980 15 Y HN -0.267 nan 8.280 nan 0.000 0.499 16 V N 0.460 120.463 119.914 0.149 0.000 2.332 16 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 16 V C 2.319 178.456 176.094 0.072 0.000 1.055 16 V CA 2.290 64.662 62.300 0.118 0.000 1.038 16 V CB -0.742 31.171 31.823 0.149 0.000 0.651 16 V HN 0.349 nan 8.190 nan 0.000 0.450 17 E N 0.295 120.534 120.200 0.064 0.000 2.077 17 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 17 E C 2.360 178.968 176.600 0.012 0.000 0.989 17 E CA 1.723 58.145 56.400 0.038 0.000 0.800 17 E CB -0.294 29.437 29.700 0.051 0.000 0.746 17 E HN 0.552 nan 8.360 nan 0.000 0.452 18 S N -0.395 115.323 115.700 0.029 0.000 2.371 18 S HA -0.052 4.418 4.470 -0.001 0.000 0.224 18 S C 1.514 176.042 174.600 -0.120 0.000 1.029 18 S CA 0.746 58.964 58.200 0.030 0.000 0.978 18 S CB -0.446 62.859 63.200 0.175 0.000 0.833 18 S HN 0.390 nan 8.310 nan 0.000 0.466 19 F N 3.453 123.193 119.950 -0.350 0.000 2.069 19 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 19 F C 2.716 178.367 175.800 -0.248 0.000 1.113 19 F CA 1.839 59.563 58.000 -0.460 0.000 1.214 19 F CB -1.095 37.647 39.000 -0.431 0.000 0.978 19 F HN 0.136 nan 8.300 nan 0.000 0.474 20 R N 0.463 120.802 120.500 -0.269 0.000 2.096 20 R HA -0.180 4.160 4.340 -0.001 0.000 0.240 20 R C 2.361 178.503 176.300 -0.263 0.000 1.139 20 R CA 2.843 58.758 56.100 -0.308 0.000 0.952 20 R CB -2.230 27.995 30.300 -0.125 0.000 0.854 20 R HN 0.518 nan 8.270 nan 0.000 0.436 21 R N -0.207 120.198 120.500 -0.157 0.000 2.091 21 R HA -0.029 4.311 4.340 -0.001 0.000 0.238 21 R C 2.221 178.474 176.300 -0.080 0.000 1.136 21 R CA 1.867 57.931 56.100 -0.059 0.000 0.959 21 R CB -1.547 nan 30.300 nan 0.000 0.856 21 R HN 0.787 nan 8.270 nan 0.000 0.437 22 F N 1.281 120.962 119.950 -0.448 0.000 2.102 22 F HA -0.043 4.484 4.527 -0.001 0.000 0.298 22 F C 2.049 177.646 175.800 -0.338 0.000 1.105 22 F CA 1.612 59.302 58.000 -0.517 0.000 1.239 22 F CB -0.353 37.928 39.000 -1.198 0.000 0.991 22 F HN 0.126 nan 8.300 nan 0.000 0.474 23 L N 0.687 121.470 121.223 -0.733 0.000 2.017 23 L HA -0.269 4.070 4.340 -0.001 0.000 0.208 23 L C 1.968 178.563 176.870 -0.458 0.000 1.073 23 L CA 1.862 56.280 54.840 -0.702 0.000 0.745 23 L CB -1.127 40.553 42.059 -0.632 0.000 0.894 23 L HN 0.332 nan 8.230 nan 0.000 0.432 24 N N -1.417 117.079 118.700 -0.341 0.000 2.571 24 N HA -0.165 4.574 4.740 -0.001 0.000 0.189 24 N C 0.833 176.095 175.510 -0.413 0.000 1.154 24 N CA 0.944 53.802 53.050 -0.321 0.000 0.907 24 N CB -0.371 37.951 38.487 -0.275 0.000 0.977 24 N HN 0.427 nan 8.380 nan 0.000 0.449 25 H N -1.443 117.480 119.070 -0.246 0.000 2.649 25 H HA 0.368 4.923 4.556 -0.001 0.000 0.258 25 H C -0.410 174.817 175.328 -0.168 0.000 1.165 25 H CA -0.269 55.680 56.048 -0.164 0.000 1.006 25 H CB 0.496 30.191 29.762 -0.111 0.000 1.743 25 H HN 0.326 nan 8.280 nan 0.000 0.609 26 S N -1.360 114.223 115.700 -0.196 0.000 2.651 26 S HA 0.257 4.727 4.470 -0.001 0.000 0.279 26 S C 0.713 175.230 174.600 -0.138 0.000 1.148 26 S CA -0.305 57.791 58.200 -0.173 0.000 0.837 26 S CB 1.699 64.666 63.200 -0.388 0.000 1.138 26 S HN 0.130 nan 8.310 nan 0.000 0.478 27 T N -2.619 111.911 114.554 -0.041 0.000 3.223 27 T HA 0.278 4.628 4.350 -0.001 0.000 0.259 27 T C 0.959 175.691 174.700 0.053 0.000 1.015 27 T CA 0.270 62.375 62.100 0.008 0.000 0.908 27 T CB -0.148 68.745 68.868 0.042 0.000 1.054 27 T HN 0.728 nan 8.240 nan 0.000 0.567 28 E N 1.500 121.707 120.200 0.011 0.000 2.058 28 E HA -0.303 4.047 4.350 -0.001 0.000 0.194 28 E C 2.067 178.739 176.600 0.119 0.000 0.997 28 E CA 1.409 57.859 56.400 0.083 0.000 0.801 28 E CB -0.349 29.375 29.700 0.039 0.000 0.746 28 E HN 0.673 nan 8.360 nan 0.000 0.450 29 H N 0.686 119.743 119.070 -0.021 0.000 2.290 29 H HA -0.159 4.396 4.556 -0.001 0.000 0.298 29 H C 2.090 177.438 175.328 0.034 0.000 1.087 29 H CA 2.192 58.241 56.048 0.002 0.000 1.291 29 H CB -0.208 29.523 29.762 -0.052 0.000 1.369 29 H HN 0.377 nan 8.280 nan 0.000 0.492 30 Q N -0.046 119.932 119.800 0.296 0.000 2.124 30 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 30 Q C 2.793 178.869 176.000 0.127 0.000 0.977 30 Q CA 1.605 57.533 55.803 0.210 0.000 0.850 30 Q CB -0.358 28.461 28.738 0.136 0.000 0.901 30 Q HN 0.496 nan 8.270 nan 0.000 0.429 31 C N 0.309 119.693 119.300 0.141 0.000 2.436 31 C HA -0.160 4.300 4.460 -0.001 0.000 0.277 31 C C 2.651 177.774 174.990 0.220 0.000 1.241 31 C CA 0.961 60.086 59.018 0.179 0.000 1.721 31 C CB -0.882 26.994 27.740 0.228 0.000 2.043 31 C HN 0.626 nan 8.230 nan 0.000 0.472 32 M N 0.094 119.830 119.600 0.226 0.000 2.065 32 M HA -0.179 4.301 4.480 -0.001 0.000 0.259 32 M C 2.221 178.619 176.300 0.163 0.000 1.069 32 M CA 2.043 57.500 55.300 0.260 0.000 1.110 32 M CB -1.590 31.097 32.600 0.144 0.000 1.328 32 M HN 0.481 nan 8.290 nan 0.000 0.405 33 Q N 0.723 120.544 119.800 0.035 0.000 2.152 33 Q HA -0.200 4.140 4.340 -0.001 0.000 0.206 33 Q C 1.760 177.778 176.000 0.029 0.000 0.985 33 Q CA 2.011 57.815 55.803 0.002 0.000 0.863 33 Q CB -0.244 28.476 28.738 -0.031 0.000 0.904 33 Q HN 0.566 nan 8.270 nan 0.000 0.422 34 E N -1.474 118.756 120.200 0.049 0.000 2.106 34 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 34 E C 1.578 178.157 176.600 -0.035 0.000 0.984 34 E CA 0.875 57.282 56.400 0.011 0.000 0.806 34 E CB -0.221 29.496 29.700 0.029 0.000 0.750 34 E HN 0.477 nan 8.360 nan 0.000 0.458 35 F N 0.795 120.636 119.950 -0.181 0.000 2.146 35 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 35 F C 2.044 177.722 175.800 -0.204 0.000 1.096 35 F CA 1.173 58.967 58.000 -0.343 0.000 1.275 35 F CB -0.017 38.569 39.000 -0.690 0.000 1.008 35 F HN 0.035 nan 8.300 nan 0.000 0.480 36 M N 0.217 119.816 119.600 -0.001 0.000 2.080 36 M HA -0.214 4.266 4.480 -0.001 0.000 0.260 36 M C 1.780 177.986 176.300 -0.156 0.000 1.068 36 M CA 1.585 56.852 55.300 -0.054 0.000 1.109 36 M CB -1.346 31.273 32.600 0.033 0.000 1.342 36 M HN 0.155 nan 8.290 nan 0.000 0.405 37 D N 0.448 120.771 120.400 -0.128 0.000 2.097 37 D HA -0.093 4.547 4.640 -0.001 0.000 0.197 37 D C 2.088 178.279 176.300 -0.182 0.000 0.984 37 D CA 1.220 55.145 54.000 -0.125 0.000 0.826 37 D CB -0.146 40.606 40.800 -0.080 0.000 0.973 37 D HN 0.411 nan 8.370 nan 0.000 0.460 38 K N 0.203 120.463 120.400 -0.233 0.000 2.137 38 K HA 0.002 4.321 4.320 -0.001 0.000 0.202 38 K C 1.964 178.335 176.600 -0.383 0.000 1.052 38 K CA 0.726 56.856 56.287 -0.262 0.000 0.961 38 K CB 0.303 32.666 32.500 -0.227 0.000 0.741 38 K HN -0.113 nan 8.250 nan 0.000 0.452 39 K N 0.546 120.560 120.400 -0.643 0.000 2.240 39 K HA 0.091 4.411 4.320 -0.001 0.000 0.202 39 K C 1.754 177.943 176.600 -0.685 0.000 1.053 39 K CA 0.060 55.837 56.287 -0.850 0.000 0.973 39 K CB -0.250 31.270 32.500 -1.634 0.000 0.924 39 K HN -0.110 nan 8.250 nan 0.000 0.477 40 L N 1.838 122.658 121.223 -0.673 0.000 2.021 40 L HA -0.161 4.179 4.340 -0.001 0.000 0.215 40 L C -1.307 175.425 176.870 -0.229 0.000 1.074 40 L CA 2.107 56.753 54.840 -0.324 0.000 0.760 40 L CB -1.005 40.953 42.059 -0.167 0.000 0.889 40 L HN 0.107 nan 8.230 nan 0.000 0.433 41 P HA -0.149 nan 4.420 nan 0.000 0.215 41 P C 1.611 178.823 177.300 -0.147 0.000 1.157 41 P CA 1.968 64.970 63.100 -0.164 0.000 0.874 41 P CB -0.417 31.191 31.700 -0.154 0.000 0.790 42 G N -0.650 108.052 108.800 -0.163 0.000 2.422 42 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 42 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 42 G C 1.520 176.375 174.900 -0.075 0.000 1.146 42 G CA 0.575 45.605 45.100 -0.117 0.000 0.769 42 G HN 0.236 nan 8.290 nan 0.000 0.547 43 I N 1.009 121.526 120.570 -0.088 0.000 2.202 43 I HA -0.109 4.061 4.170 -0.001 0.000 0.242 43 I C 2.214 178.317 176.117 -0.024 0.000 1.091 43 I CA 0.986 62.287 61.300 0.000 0.000 1.368 43 I CB -0.168 37.872 38.000 0.067 0.000 1.058 43 I HN 0.269 nan 8.210 nan 0.000 0.410 44 I N -0.849 119.646 120.570 -0.125 0.000 3.749 44 I HA 0.266 4.435 4.170 -0.001 0.000 0.314 44 I C 1.938 178.054 176.117 -0.002 0.000 1.267 44 I CA 0.114 61.322 61.300 -0.154 0.000 1.169 44 I CB -1.192 36.605 38.000 -0.339 0.000 1.009 44 I HN -0.036 nan 8.210 nan 0.000 0.444 45 G N 1.451 110.243 108.800 -0.013 0.000 2.475 45 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.220 45 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.220 45 G C 1.686 176.631 174.900 0.074 0.000 1.125 45 G CA 0.532 45.623 45.100 -0.014 0.000 0.755 45 G HN 0.522 nan 8.290 nan 0.000 0.565 46 R N -0.327 120.254 120.500 0.135 0.000 2.600 46 R HA 0.267 4.607 4.340 -0.001 0.000 0.392 46 R C 1.945 178.347 176.300 0.169 0.000 1.032 46 R CA -0.048 56.166 56.100 0.190 0.000 1.139 46 R CB 0.212 30.574 30.300 0.103 0.000 1.400 46 R HN 0.569 nan 8.270 nan 0.000 0.566 47 I N -3.435 117.220 120.570 0.141 0.000 2.830 47 I HA 0.108 4.277 4.170 -0.001 0.000 0.263 47 I C 1.365 177.399 176.117 -0.138 0.000 1.230 47 I CA 1.390 62.708 61.300 0.030 0.000 1.480 47 I CB 0.017 38.038 38.000 0.034 0.000 1.095 47 I HN -0.021 nan 8.210 nan 0.000 0.455 48 G N 0.572 109.119 108.800 -0.421 0.000 3.126 48 G HA2 0.063 4.023 3.960 -0.001 0.000 0.224 48 G HA3 0.063 4.023 3.960 -0.001 0.000 0.224 48 G C -0.168 174.494 174.900 -0.397 0.000 1.142 48 G CA -0.251 44.312 45.100 -0.894 0.000 0.759 48 G HN 0.238 nan 8.290 nan 0.000 0.550 49 D N 1.441 121.822 120.400 -0.031 0.000 2.450 49 D HA 0.275 4.915 4.640 -0.001 0.000 0.247 49 D C 1.577 177.879 176.300 0.002 0.000 1.162 49 D CA 1.540 55.584 54.000 0.073 0.000 0.879 49 D CB 0.795 41.656 40.800 0.102 0.000 1.163 49 D HN 0.325 nan 8.370 nan 0.000 0.472 50 T N -1.135 113.427 114.554 0.012 0.000 6.386 50 T HA -0.279 4.071 4.350 -0.001 0.000 0.278 50 T C 0.119 174.798 174.700 -0.034 0.000 2.163 50 T CA 1.122 63.218 62.100 -0.006 0.000 3.541 50 T CB -1.937 66.928 68.868 -0.006 0.000 1.383 50 T HN 0.517 nan 8.240 nan 0.000 1.186 51 K N 1.136 121.496 120.400 -0.066 0.000 2.164 51 K HA 0.657 4.977 4.320 -0.001 0.000 0.258 51 K C 1.079 177.627 176.600 -0.088 0.000 0.951 51 K CA -0.165 56.066 56.287 -0.093 0.000 0.844 51 K CB 1.665 34.081 32.500 -0.139 0.000 1.099 51 K HN 0.268 nan 8.250 nan 0.000 0.435 52 S N 0.737 116.393 115.700 -0.073 0.000 2.540 52 S HA 0.057 4.527 4.470 -0.001 0.000 0.218 52 S C 0.121 174.678 174.600 -0.070 0.000 0.977 52 S CA -0.243 57.922 58.200 -0.057 0.000 0.918 52 S CB -0.017 63.158 63.200 -0.041 0.000 0.806 52 S HN 0.677 nan 8.310 nan 0.000 0.496 53 E N 0.476 120.617 120.200 -0.098 0.000 2.347 53 E HA 0.424 4.774 4.350 -0.001 0.000 0.285 53 E C -1.794 174.727 176.600 -0.132 0.000 0.925 53 E CA -0.632 55.706 56.400 -0.104 0.000 0.779 53 E CB 1.433 31.074 29.700 -0.099 0.000 1.233 53 E HN 0.327 nan 8.360 nan 0.000 0.414 54 I N 4.132 124.625 120.570 -0.128 0.000 2.339 54 I HA 0.317 4.487 4.170 -0.001 0.000 0.290 54 I C -0.267 175.818 176.117 -0.054 0.000 0.994 54 I CA -0.702 60.526 61.300 -0.120 0.000 1.191 54 I CB 1.414 39.318 38.000 -0.160 0.000 1.343 54 I HN 0.254 nan 8.210 nan 0.000 0.458 55 K N 7.648 128.033 120.400 -0.026 0.000 2.263 55 K HA 0.597 4.917 4.320 -0.001 0.000 0.272 55 K C -0.836 175.986 176.600 0.370 0.000 1.033 55 K CA -0.380 55.943 56.287 0.061 0.000 0.884 55 K CB 1.648 33.975 32.500 -0.287 0.000 1.107 55 K HN 0.499 nan 8.250 nan 0.000 0.460 56 I N 4.226 125.032 120.570 0.394 0.000 2.378 56 I HA 0.217 4.387 4.170 -0.001 0.000 0.291 56 I C -0.878 175.325 176.117 0.144 0.000 0.992 56 I CA -1.168 60.333 61.300 0.335 0.000 1.154 56 I CB 1.355 39.518 38.000 0.271 0.000 1.315 56 I HN 0.318 nan 8.210 nan 0.000 0.448 57 L N 6.428 127.542 121.223 -0.181 0.000 2.280 57 L HA 0.416 4.755 4.340 -0.001 0.000 0.287 57 L C -0.099 176.335 176.870 -0.726 0.000 1.023 57 L CA 0.170 54.595 54.840 -0.692 0.000 0.819 57 L CB 1.504 42.848 42.059 -1.192 0.000 1.212 57 L HN 0.536 nan 8.230 nan 0.000 0.420 58 S N 6.511 121.843 115.700 -0.614 0.000 2.420 58 S HA 0.572 5.041 4.470 -0.001 0.000 0.313 58 S C -0.382 173.947 174.600 -0.452 0.000 1.079 58 S CA -0.770 57.039 58.200 -0.652 0.000 1.104 58 S CB 0.019 63.127 63.200 -0.154 0.000 0.969 58 S HN 0.465 nan 8.310 nan 0.000 0.471 59 I N 4.555 124.832 120.570 -0.489 0.000 2.304 59 I HA 0.356 4.525 4.170 -0.001 0.000 0.291 59 I C 1.374 177.399 176.117 -0.154 0.000 1.018 59 I CA 0.054 61.128 61.300 -0.376 0.000 1.260 59 I CB 0.011 37.669 38.000 -0.569 0.000 1.390 59 I HN 0.983 nan 8.210 nan 0.000 0.475 60 G N 4.797 113.562 108.800 -0.058 0.000 2.225 60 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.264 60 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.264 60 G C 1.055 176.021 174.900 0.109 0.000 1.060 60 G CA 0.267 45.391 45.100 0.038 0.000 0.833 60 G HN 0.960 nan 8.290 nan 0.000 0.498 61 G N -0.311 108.587 108.800 0.165 0.000 2.501 61 G HA2 0.347 4.307 3.960 -0.001 0.000 0.220 61 G HA3 0.347 4.307 3.960 -0.001 0.000 0.220 61 G C 2.025 177.081 174.900 0.260 0.000 1.114 61 G CA 1.578 46.856 45.100 0.297 0.000 0.757 61 G HN 2.213 nan 8.290 nan 0.000 0.559 62 G N 0.064 109.006 108.800 0.236 0.000 2.611 62 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.301 62 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.301 62 G C 1.389 176.400 174.900 0.185 0.000 1.233 62 G CA 1.586 46.792 45.100 0.177 0.000 0.993 62 G HN 1.328 nan 8.290 nan 0.000 0.553 63 A N 0.262 123.123 122.820 0.069 0.000 2.238 63 A HA 0.523 4.842 4.320 -0.001 0.000 0.208 63 A C 2.697 180.123 177.584 -0.264 0.000 1.177 63 A CA 1.877 53.915 52.037 0.000 0.000 0.804 63 A CB -0.791 18.229 19.000 0.033 0.000 0.823 63 A HN 2.931 nan 8.150 nan 0.000 0.482 64 G N -0.682 107.790 108.800 -0.546 0.000 2.159 64 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.256 64 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.256 64 G C 0.572 175.230 174.900 -0.404 0.000 0.977 64 G CA 0.882 45.350 45.100 -1.052 0.000 0.652 64 G HN 0.532 nan 8.290 nan 0.000 0.531 65 E N 0.193 120.284 120.200 -0.182 0.000 2.047 65 E HA 0.036 4.385 4.350 -0.001 0.000 0.191 65 E C 2.564 179.132 176.600 -0.052 0.000 0.987 65 E CA 1.329 57.683 56.400 -0.076 0.000 0.799 65 E CB -0.112 29.576 29.700 -0.020 0.000 0.752 65 E HN 0.494 nan 8.360 nan 0.000 0.449 66 I N 1.553 122.097 120.570 -0.043 0.000 2.394 66 I HA -0.179 3.991 4.170 -0.001 0.000 0.251 66 I C 1.241 177.357 176.117 -0.001 0.000 1.136 66 I CA 1.233 62.521 61.300 -0.020 0.000 1.425 66 I CB -0.991 37.006 38.000 -0.005 0.000 1.079 66 I HN 0.065 nan 8.210 nan 0.000 0.425 67 D N 1.089 121.501 120.400 0.020 0.000 2.097 67 D HA -0.142 4.497 4.640 -0.001 0.000 0.195 67 D C 2.434 178.840 176.300 0.177 0.000 0.989 67 D CA 1.060 55.149 54.000 0.148 0.000 0.827 67 D CB -0.288 40.685 40.800 0.289 0.000 0.966 67 D HN 0.254 nan 8.370 nan 0.000 0.456 68 L N 0.448 121.750 121.223 0.130 0.000 2.131 68 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 68 L C 2.416 179.352 176.870 0.109 0.000 1.092 68 L CA 0.858 55.796 54.840 0.163 0.000 0.759 68 L CB -0.410 41.723 42.059 0.122 0.000 0.903 68 L HN 0.046 nan 8.230 nan 0.000 0.435 69 Q N 0.107 119.945 119.800 0.064 0.000 2.084 69 Q HA -0.145 4.195 4.340 -0.001 0.000 0.202 69 Q C 2.339 178.368 176.000 0.049 0.000 0.978 69 Q CA 1.513 57.342 55.803 0.043 0.000 0.844 69 Q CB -0.180 28.569 28.738 0.018 0.000 0.898 69 Q HN 0.557 nan 8.270 nan 0.000 0.426 70 I N 0.608 121.216 120.570 0.064 0.000 2.179 70 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 70 I C 2.292 178.459 176.117 0.083 0.000 1.088 70 I CA 0.884 62.228 61.300 0.073 0.000 1.357 70 I CB -0.245 37.817 38.000 0.103 0.000 1.051 70 I HN 0.139 nan 8.210 nan 0.000 0.409 71 L N 0.287 121.585 121.223 0.125 0.000 2.079 71 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 71 L C 2.803 179.722 176.870 0.081 0.000 1.081 71 L CA 1.746 56.656 54.840 0.117 0.000 0.752 71 L CB -0.721 41.438 42.059 0.165 0.000 0.896 71 L HN 0.404 nan 8.230 nan 0.000 0.433 72 S N -0.574 115.170 115.700 0.073 0.000 2.382 72 S HA -0.150 4.320 4.470 -0.001 0.000 0.228 72 S C 1.975 176.589 174.600 0.023 0.000 1.027 72 S CA 0.648 58.878 58.200 0.050 0.000 0.991 72 S CB -0.159 63.067 63.200 0.043 0.000 0.823 72 S HN 0.282 nan 8.310 nan 0.000 0.469 73 K N 1.272 121.676 120.400 0.008 0.000 2.103 73 K HA 0.162 4.482 4.320 -0.001 0.000 0.204 73 K C 2.275 178.867 176.600 -0.013 0.000 1.052 73 K CA 1.018 57.290 56.287 -0.025 0.000 0.945 73 K CB -1.180 31.287 32.500 -0.055 0.000 0.722 73 K HN 0.413 nan 8.250 nan 0.000 0.443 74 V N 1.962 121.885 119.914 0.016 0.000 2.358 74 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 74 V C 2.453 178.621 176.094 0.124 0.000 1.047 74 V CA 1.586 63.933 62.300 0.079 0.000 1.035 74 V CB -0.522 31.338 31.823 0.062 0.000 0.658 74 V HN 0.342 nan 8.190 nan 0.000 0.452 75 Q N -0.094 119.751 119.800 0.075 0.000 2.084 75 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 75 Q C 2.444 178.468 176.000 0.040 0.000 0.978 75 Q CA 1.735 57.579 55.803 0.069 0.000 0.844 75 Q CB -0.406 28.363 28.738 0.053 0.000 0.898 75 Q HN 0.674 nan 8.270 nan 0.000 0.426 76 A N 0.774 123.598 122.820 0.007 0.000 1.933 76 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 76 A C 2.003 179.537 177.584 -0.084 0.000 1.175 76 A CA 1.720 53.738 52.037 -0.031 0.000 0.628 76 A CB -0.397 18.579 19.000 -0.040 0.000 0.814 76 A HN 0.256 nan 8.150 nan 0.000 0.444 77 Q N -1.647 118.082 119.800 -0.118 0.000 2.245 77 Q HA -0.010 4.330 4.340 -0.001 0.000 0.201 77 Q C -0.521 175.136 176.000 -0.571 0.000 0.955 77 Q CA 1.142 56.741 55.803 -0.339 0.000 0.870 77 Q CB -0.165 28.354 28.738 -0.364 0.000 0.945 77 Q HN 0.686 nan 8.270 nan 0.000 0.461 78 Y N 1.113 121.395 120.300 -0.030 0.000 2.490 78 Y HA 0.383 4.933 4.550 -0.000 0.000 0.346 78 Y C -2.230 173.660 175.900 -0.018 0.000 1.023 78 Y CA -2.723 55.363 58.100 -0.024 0.000 1.142 78 Y CB 0.914 39.359 38.460 -0.025 0.000 1.126 78 Y HN 0.091 nan 8.280 nan 0.000 0.647 79 P HA 0.071 nan 4.420 nan 0.000 0.266 79 P C 1.042 178.376 177.300 0.056 0.000 1.195 79 P CA 1.433 64.562 63.100 0.049 0.000 0.768 79 P CB 1.464 33.173 31.700 0.015 0.000 0.838 80 G N 1.199 110.025 108.800 0.043 0.000 2.234 80 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.260 80 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.260 80 G C 0.012 174.930 174.900 0.031 0.000 0.987 80 G CA 0.117 45.237 45.100 0.033 0.000 0.625 80 G HN 0.564 nan 8.290 nan 0.000 0.532 81 V N 1.841 121.782 119.914 0.045 0.000 2.461 81 V HA 0.396 4.516 4.120 -0.001 0.000 0.275 81 V C 1.408 177.499 176.094 -0.005 0.000 1.047 81 V CA -0.646 61.666 62.300 0.019 0.000 0.955 81 V CB 1.092 32.929 31.823 0.022 0.000 0.988 81 V HN 0.452 nan 8.190 nan 0.000 0.471 82 C N 6.438 125.723 119.300 -0.024 0.000 2.657 82 C HA 0.342 4.802 4.460 -0.001 0.000 0.420 82 C C 0.423 175.378 174.990 -0.058 0.000 1.323 82 C CA -0.284 58.712 59.018 -0.037 0.000 1.894 82 C CB -1.104 26.612 27.740 -0.040 0.000 2.681 82 C HN 0.650 nan 8.230 nan 0.000 0.613 83 I N 3.280 123.807 120.570 -0.071 0.000 2.498 83 I HA 0.331 4.500 4.170 -0.001 0.000 0.290 83 I C -0.104 175.934 176.117 -0.132 0.000 1.032 83 I CA -0.067 61.179 61.300 -0.089 0.000 1.073 83 I CB 1.207 39.159 38.000 -0.080 0.000 1.251 83 I HN 0.693 nan 8.210 nan 0.000 0.426 84 N N 4.642 123.282 118.700 -0.100 0.000 2.476 84 N HA 0.270 5.010 4.740 -0.001 0.000 0.257 84 N C -1.034 174.445 175.510 -0.051 0.000 0.970 84 N CA -0.437 52.554 53.050 -0.098 0.000 0.938 84 N CB 0.854 39.307 38.487 -0.056 0.000 1.144 84 N HN 0.594 nan 8.380 nan 0.000 0.500 85 N N 2.668 121.234 118.700 -0.223 0.000 2.621 85 N HA 0.116 4.855 4.740 -0.001 0.000 0.237 85 N C -1.370 174.012 175.510 -0.213 0.000 0.997 85 N CA -0.445 52.486 53.050 -0.200 0.000 0.918 85 N CB 0.766 38.999 38.487 -0.423 0.000 1.122 85 N HN 0.478 nan 8.380 nan 0.000 0.510 86 E N 1.552 121.707 120.200 -0.076 0.000 2.216 86 E HA 0.315 4.665 4.350 -0.001 0.000 0.279 86 E C -0.733 175.698 176.600 -0.283 0.000 0.997 86 E CA -0.812 55.493 56.400 -0.158 0.000 0.817 86 E CB 1.998 31.768 29.700 0.117 0.000 1.096 86 E HN 0.198 nan 8.360 nan 0.000 0.393 87 V N 3.411 123.110 119.914 -0.358 0.000 2.448 87 V HA 0.219 4.338 4.120 -0.001 0.000 0.295 87 V C -0.198 175.819 176.094 -0.128 0.000 1.025 87 V CA -0.855 61.291 62.300 -0.257 0.000 0.859 87 V CB 1.732 33.363 31.823 -0.320 0.000 0.988 87 V HN 0.400 nan 8.190 nan 0.000 0.431 88 V N 4.210 124.033 119.914 -0.151 0.000 2.311 88 V HA 0.597 4.717 4.120 -0.001 0.000 0.275 88 V C -0.289 175.803 176.094 -0.004 0.000 1.022 88 V CA -0.231 62.011 62.300 -0.097 0.000 0.830 88 V CB 1.217 32.864 31.823 -0.294 0.000 1.012 88 V HN 0.982 nan 8.190 nan 0.000 0.452 89 E N 8.216 128.462 120.200 0.077 0.000 2.287 89 E HA 0.452 4.801 4.350 -0.001 0.000 0.274 89 E C -2.372 174.275 176.600 0.078 0.000 0.896 89 E CA -1.652 54.802 56.400 0.090 0.000 0.788 89 E CB 2.720 32.515 29.700 0.158 0.000 1.244 89 E HN 0.271 nan 8.360 nan 0.000 0.408 90 P HA -0.006 nan 4.420 nan 0.000 0.227 90 P C 0.237 177.544 177.300 0.012 0.000 1.161 90 P CA 0.142 63.260 63.100 0.029 0.000 0.788 90 P CB 0.459 32.163 31.700 0.006 0.000 0.822 91 S N -0.305 115.398 115.700 0.005 0.000 2.448 91 S HA 0.445 4.915 4.470 -0.001 0.000 0.279 91 S C 1.447 176.050 174.600 0.004 0.000 1.195 91 S CA -0.157 58.040 58.200 -0.005 0.000 1.051 91 S CB 0.300 63.492 63.200 -0.015 0.000 0.948 91 S HN 0.109 nan 8.310 nan 0.000 0.493 92 A N 4.402 127.218 122.820 -0.006 0.000 1.933 92 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 92 A C 1.984 179.550 177.584 -0.030 0.000 1.175 92 A CA 1.741 53.766 52.037 -0.021 0.000 0.628 92 A CB -0.778 18.210 19.000 -0.020 0.000 0.814 92 A HN 0.944 nan 8.150 nan 0.000 0.444 93 E N -0.698 119.492 120.200 -0.015 0.000 2.077 93 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 93 E C 2.168 178.769 176.600 0.001 0.000 0.989 93 E CA 1.294 57.689 56.400 -0.009 0.000 0.800 93 E CB -0.078 29.625 29.700 0.005 0.000 0.746 93 E HN 0.591 nan 8.360 nan 0.000 0.452 94 Q N 0.214 120.026 119.800 0.020 0.000 2.046 94 Q HA -0.139 4.200 4.340 -0.001 0.000 0.200 94 Q C 2.423 178.459 176.000 0.060 0.000 0.975 94 Q CA 1.078 56.916 55.803 0.058 0.000 0.836 94 Q CB -0.229 28.559 28.738 0.084 0.000 0.896 94 Q HN 0.455 nan 8.270 nan 0.000 0.428 95 I N 0.889 121.460 120.570 0.003 0.000 2.194 95 I HA -0.314 3.856 4.170 -0.001 0.000 0.246 95 I C 2.391 178.342 176.117 -0.277 0.000 1.093 95 I CA 1.162 62.371 61.300 -0.153 0.000 1.355 95 I CB -0.459 37.426 38.000 -0.190 0.000 1.046 95 I HN 0.092 nan 8.210 nan 0.000 0.413 96 A N 0.682 123.396 122.820 -0.177 0.000 1.908 96 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 96 A C 2.315 179.825 177.584 -0.123 0.000 1.181 96 A CA 1.853 53.788 52.037 -0.171 0.000 0.627 96 A CB -0.481 18.459 19.000 -0.101 0.000 0.818 96 A HN 0.343 nan 8.150 nan 0.000 0.445 97 K N -1.977 118.394 120.400 -0.047 0.000 2.097 97 K HA -0.108 4.212 4.320 -0.001 0.000 0.205 97 K C 1.947 178.565 176.600 0.031 0.000 1.050 97 K CA 1.497 57.780 56.287 -0.006 0.000 0.938 97 K CB -0.318 32.196 32.500 0.023 0.000 0.718 97 K HN 0.691 nan 8.250 nan 0.000 0.442 98 Y N 1.728 121.968 120.300 -0.100 0.000 2.145 98 Y HA -0.263 4.286 4.550 -0.001 0.000 0.286 98 Y C 1.977 177.792 175.900 -0.143 0.000 1.145 98 Y CA 1.324 59.406 58.100 -0.030 0.000 1.148 98 Y CB 0.259 38.790 38.460 0.118 0.000 0.981 98 Y HN -0.044 nan 8.280 nan 0.000 0.507 99 K N 0.149 120.409 120.400 -0.233 0.000 2.057 99 K HA -0.195 4.125 4.320 -0.001 0.000 0.207 99 K C 1.810 178.324 176.600 -0.143 0.000 1.049 99 K CA 1.795 57.834 56.287 -0.414 0.000 0.931 99 K CB -0.166 31.927 32.500 -0.679 0.000 0.714 99 K HN 0.479 nan 8.250 nan 0.000 0.440 100 E N 0.856 120.995 120.200 -0.101 0.000 2.058 100 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 100 E C 2.022 178.613 176.600 -0.015 0.000 0.997 100 E CA 0.996 57.365 56.400 -0.052 0.000 0.801 100 E CB -0.128 29.547 29.700 -0.040 0.000 0.746 100 E HN 0.104 nan 8.360 nan 0.000 0.450 101 L N 0.824 122.051 121.223 0.007 0.000 2.046 101 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 101 L C 2.236 179.122 176.870 0.026 0.000 1.077 101 L CA 1.395 56.245 54.840 0.017 0.000 0.747 101 L CB -0.364 41.699 42.059 0.006 0.000 0.896 101 L HN -0.056 nan 8.230 nan 0.000 0.432 102 V N 0.195 120.128 119.914 0.033 0.000 2.343 102 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 102 V C 2.753 178.859 176.094 0.019 0.000 1.051 102 V CA 1.670 63.961 62.300 -0.015 0.000 1.036 102 V CB -1.286 30.451 31.823 -0.143 0.000 0.654 102 V HN 0.622 nan 8.190 nan 0.000 0.451 103 A N -1.212 121.616 122.820 0.014 0.000 2.125 103 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 103 A C 2.282 179.882 177.584 0.027 0.000 1.156 103 A CA 1.776 53.827 52.037 0.023 0.000 0.671 103 A CB -0.345 18.657 19.000 0.003 0.000 0.794 103 A HN 0.533 nan 8.150 nan 0.000 0.459 104 K N -1.088 119.326 120.400 0.024 0.000 2.276 104 K HA 0.050 4.370 4.320 -0.001 0.000 0.198 104 K C -0.053 176.568 176.600 0.036 0.000 1.052 104 K CA 0.475 56.777 56.287 0.025 0.000 0.984 104 K CB 0.229 32.739 32.500 0.017 0.000 0.836 104 K HN 0.375 nan 8.250 nan 0.000 0.490 105 T N 0.729 115.311 114.554 0.048 0.000 2.907 105 T HA 0.006 4.355 4.350 -0.001 0.000 0.298 105 T C 1.121 175.864 174.700 0.071 0.000 1.017 105 T CA -0.287 61.850 62.100 0.063 0.000 1.118 105 T CB 1.655 70.573 68.868 0.084 0.000 0.948 105 T HN 0.252 nan 8.240 nan 0.000 0.531 106 S N 2.301 118.041 115.700 0.066 0.000 2.310 106 S HA 0.024 4.494 4.470 -0.001 0.000 0.205 106 S C 1.724 176.369 174.600 0.076 0.000 1.020 106 S CA 0.301 58.539 58.200 0.064 0.000 0.939 106 S CB -1.200 62.028 63.200 0.048 0.000 0.919 106 S HN 0.836 nan 8.310 nan 0.000 0.501 107 N N 1.389 120.132 118.700 0.071 0.000 3.063 107 N HA 0.391 5.130 4.740 -0.001 0.000 0.327 107 N C 0.374 175.943 175.510 0.098 0.000 1.225 107 N CA 0.351 53.444 53.050 0.073 0.000 1.184 107 N CB -1.243 nan 38.487 nan 0.000 1.438 107 N HN 0.568 nan 8.380 nan 0.000 0.555 108 L N -0.761 120.535 121.223 0.122 0.000 3.202 108 L HA 0.238 4.577 4.340 -0.001 0.000 0.278 108 L C 2.260 179.216 176.870 0.144 0.000 1.268 108 L CA 0.347 55.289 54.840 0.170 0.000 1.034 108 L CB -0.046 42.180 42.059 0.278 0.000 1.407 108 L HN 0.562 nan 8.230 nan 0.000 0.581 109 E N 0.686 120.944 120.200 0.097 0.000 2.051 109 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 109 E C 1.391 178.026 176.600 0.058 0.000 0.991 109 E CA 1.658 58.103 56.400 0.076 0.000 0.799 109 E CB -0.439 nan 29.700 nan 0.000 0.748 109 E HN 0.487 nan 8.360 nan 0.000 0.449 110 N N -0.035 118.691 118.700 0.043 0.000 2.421 110 N HA 0.106 4.845 4.740 -0.001 0.000 0.201 110 N C -0.688 174.814 175.510 -0.013 0.000 1.198 110 N CA 0.218 53.278 53.050 0.017 0.000 0.838 110 N CB 0.916 39.414 38.487 0.017 0.000 1.011 110 N HN 0.293 nan 8.380 nan 0.000 0.463 111 V N 1.308 121.214 119.914 -0.014 0.000 2.487 111 V HA 0.272 4.391 4.120 -0.001 0.000 0.298 111 V C -0.067 175.929 176.094 -0.163 0.000 1.028 111 V CA -1.038 61.180 62.300 -0.137 0.000 0.860 111 V CB 2.076 33.792 31.823 -0.178 0.000 0.991 111 V HN 0.141 nan 8.190 nan 0.000 0.427 112 K N 3.685 123.929 120.400 -0.260 0.000 2.221 112 K HA 0.783 5.103 4.320 -0.001 0.000 0.258 112 K C -1.550 174.814 176.600 -0.394 0.000 0.944 112 K CA -0.530 55.660 56.287 -0.162 0.000 0.823 112 K CB 1.853 34.312 32.500 -0.069 0.000 1.113 112 K HN 0.319 nan 8.250 nan 0.000 0.431 113 F N 0.862 120.690 119.950 -0.203 0.000 2.507 113 F HA 0.687 5.214 4.527 -0.000 0.000 0.327 113 F C -0.207 175.261 175.800 -0.554 0.000 1.068 113 F CA -0.753 56.926 58.000 -0.536 0.000 0.965 113 F CB 2.462 40.897 39.000 -0.942 0.000 1.192 113 F HN 0.780 nan 8.300 nan 0.000 0.476 114 A N 2.051 124.528 122.820 -0.572 0.000 2.459 114 A HA 0.599 4.919 4.320 -0.001 0.000 0.296 114 A C -2.019 175.170 177.584 -0.659 0.000 1.039 114 A CA -0.613 51.183 52.037 -0.401 0.000 0.698 114 A CB 1.051 19.919 19.000 -0.221 0.000 1.261 114 A HN 0.733 nan 8.150 nan 0.000 0.405 115 W N 2.726 123.805 121.300 -0.368 0.000 2.532 115 W HA 0.425 5.085 4.660 -0.000 0.000 0.321 115 W C -0.768 175.507 176.519 -0.407 0.000 1.037 115 W CA -0.283 56.844 57.345 -0.363 0.000 1.220 115 W CB 1.516 30.833 29.460 -0.239 0.000 1.361 115 W HN 0.652 nan 8.180 nan 0.000 0.468 116 H N 2.263 121.435 119.070 0.170 0.000 2.638 116 H HA 0.132 4.688 4.556 -0.000 0.000 0.317 116 H C -0.110 175.290 175.328 0.119 0.000 1.006 116 H CA -0.621 55.510 56.048 0.138 0.000 1.222 116 H CB 1.882 31.723 29.762 0.132 0.000 1.419 116 H HN 0.203 nan 8.280 nan 0.000 0.489 117 K N 4.680 125.203 120.400 0.205 0.000 2.171 117 K HA 0.096 4.416 4.320 -0.001 0.000 0.274 117 K C -0.384 176.289 176.600 0.122 0.000 1.110 117 K CA 0.030 56.396 56.287 0.132 0.000 0.952 117 K CB 0.103 32.656 32.500 0.087 0.000 1.309 117 K HN 0.859 nan 8.250 nan 0.000 0.414 118 E N 0.990 121.262 120.200 0.119 0.000 2.427 118 E HA 0.096 4.446 4.350 -0.001 0.000 0.279 118 E C -1.158 175.498 176.600 0.094 0.000 1.120 118 E CA -1.078 55.385 56.400 0.105 0.000 0.869 118 E CB 0.350 30.133 29.700 0.139 0.000 1.393 118 E HN 0.353 nan 8.360 nan 0.000 0.443 119 T N -1.618 112.987 114.554 0.085 0.000 2.847 119 T HA 0.254 4.604 4.350 -0.001 0.000 0.279 119 T C 1.311 176.093 174.700 0.137 0.000 0.984 119 T CA -0.001 62.148 62.100 0.081 0.000 0.988 119 T CB 1.264 70.167 68.868 0.058 0.000 1.040 119 T HN 0.655 nan 8.240 nan 0.000 0.528 120 S N 0.124 115.912 115.700 0.147 0.000 2.419 120 S HA -0.132 4.338 4.470 -0.001 0.000 0.233 120 S C 2.205 176.972 174.600 0.280 0.000 1.016 120 S CA 1.174 59.548 58.200 0.291 0.000 0.974 120 S CB -0.955 62.419 63.200 0.289 0.000 0.786 120 S HN 0.723 nan 8.310 nan 0.000 0.492 121 S N 1.715 117.496 115.700 0.134 0.000 2.357 121 S HA -0.091 4.378 4.470 -0.001 0.000 0.221 121 S C 1.904 176.495 174.600 -0.014 0.000 1.031 121 S CA 1.189 59.404 58.200 0.026 0.000 0.982 121 S CB -0.469 62.736 63.200 0.008 0.000 0.853 121 S HN 0.717 nan 8.310 nan 0.000 0.458 122 E N -0.620 119.601 120.200 0.035 0.000 2.106 122 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 122 E C 1.851 178.464 176.600 0.022 0.000 0.984 122 E CA 1.358 57.767 56.400 0.015 0.000 0.806 122 E CB -0.324 29.402 29.700 0.043 0.000 0.750 122 E HN 0.719 nan 8.360 nan 0.000 0.458 123 Y N 2.044 122.336 120.300 -0.014 0.000 2.181 123 Y HA -0.300 4.250 4.550 -0.000 0.000 0.288 123 Y C 2.493 178.349 175.900 -0.072 0.000 1.146 123 Y CA 2.170 60.269 58.100 -0.001 0.000 1.164 123 Y CB -0.193 38.325 38.460 0.098 0.000 0.982 123 Y HN -0.015 nan 8.280 nan 0.000 0.515 124 Q N 0.023 119.710 119.800 -0.188 0.000 2.030 124 Q HA -0.217 4.123 4.340 -0.001 0.000 0.204 124 Q C 2.348 177.978 176.000 -0.618 0.000 0.986 124 Q CA 2.803 58.174 55.803 -0.720 0.000 0.843 124 Q CB -0.340 27.844 28.738 -0.924 0.000 0.904 124 Q HN 0.610 nan 8.270 nan 0.000 0.420 125 S N -0.109 115.364 115.700 -0.378 0.000 2.383 125 S HA -0.125 4.345 4.470 -0.001 0.000 0.227 125 S C 1.947 176.412 174.600 -0.225 0.000 1.026 125 S CA 0.872 58.909 58.200 -0.272 0.000 0.981 125 S CB -0.353 62.740 63.200 -0.178 0.000 0.818 125 S HN 0.347 nan 8.310 nan 0.000 0.472 126 R N 0.125 120.490 120.500 -0.225 0.000 2.081 126 R HA 0.087 4.427 4.340 -0.001 0.000 0.235 126 R C 2.188 178.351 176.300 -0.228 0.000 1.131 126 R CA 1.556 57.539 56.100 -0.194 0.000 0.960 126 R CB -0.299 29.891 30.300 -0.182 0.000 0.856 126 R HN 0.388 nan 8.270 nan 0.000 0.436 127 M N 0.162 119.556 119.600 -0.343 0.000 2.394 127 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 127 M C 1.941 178.169 176.300 -0.119 0.000 1.073 127 M CA 1.210 56.358 55.300 -0.252 0.000 1.111 127 M CB -0.391 32.034 32.600 -0.292 0.000 1.401 127 M HN 0.180 nan 8.290 nan 0.000 0.448 128 L N -0.045 121.083 121.223 -0.158 0.000 2.554 128 L HA -0.053 4.287 4.340 -0.001 0.000 0.226 128 L C 2.648 179.470 176.870 -0.079 0.000 1.137 128 L CA 0.702 55.483 54.840 -0.099 0.000 0.863 128 L CB -0.606 41.361 42.059 -0.154 0.000 0.985 128 L HN 0.376 nan 8.230 nan 0.000 0.451 129 E N 0.097 120.242 120.200 -0.090 0.000 2.299 129 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 129 E C 1.014 177.585 176.600 -0.049 0.000 0.998 129 E CA 0.433 56.793 56.400 -0.066 0.000 0.851 129 E CB 0.041 29.700 29.700 -0.069 0.000 0.795 129 E HN 0.116 nan 8.360 nan 0.000 0.492 130 K N -0.519 119.851 120.400 -0.050 0.000 2.149 130 K HA 0.378 4.697 4.320 -0.001 0.000 0.245 130 K C 1.609 178.196 176.600 -0.023 0.000 1.024 130 K CA 0.621 56.888 56.287 -0.033 0.000 0.899 130 K CB 0.997 33.479 32.500 -0.030 0.000 1.038 130 K HN 0.252 nan 8.250 nan 0.000 0.496 131 K N 1.014 121.405 120.400 -0.016 0.000 2.186 131 K HA 0.037 4.356 4.320 -0.001 0.000 0.202 131 K C 1.020 177.616 176.600 -0.008 0.000 1.052 131 K CA 1.837 58.117 56.287 -0.012 0.000 0.965 131 K CB -0.388 32.105 32.500 -0.012 0.000 0.746 131 K HN 0.731 nan 8.250 nan 0.000 0.457 132 E N -0.095 120.101 120.200 -0.007 0.000 2.293 132 E HA 0.682 5.032 4.350 -0.001 0.000 0.270 132 E C -0.755 175.847 176.600 0.004 0.000 0.879 132 E CA -0.800 55.597 56.400 -0.004 0.000 0.756 132 E CB 1.198 30.891 29.700 -0.012 0.000 1.208 132 E HN 0.338 nan 8.360 nan 0.000 0.428 133 L N 2.448 123.678 121.223 0.012 0.000 2.349 133 L HA 0.294 4.633 4.340 -0.001 0.000 0.275 133 L C 1.004 177.883 176.870 0.014 0.000 1.115 133 L CA -0.558 54.299 54.840 0.030 0.000 0.820 133 L CB 1.160 43.234 42.059 0.025 0.000 1.135 133 L HN 0.715 nan 8.230 nan 0.000 0.445 134 Q N 2.649 122.480 119.800 0.052 0.000 2.471 134 Q HA 0.304 4.644 4.340 -0.001 0.000 0.223 134 Q C -0.747 175.224 176.000 -0.049 0.000 1.045 134 Q CA -0.533 55.250 55.803 -0.033 0.000 0.956 134 Q CB 0.870 29.586 28.738 -0.037 0.000 1.249 134 Q HN 0.323 nan 8.270 nan 0.000 0.549 135 K N 0.556 120.811 120.400 -0.241 0.000 2.259 135 K HA 0.447 4.767 4.320 -0.001 0.000 0.249 135 K C -1.337 175.006 176.600 -0.430 0.000 0.942 135 K CA -0.358 55.829 56.287 -0.167 0.000 0.816 135 K CB 1.348 33.771 32.500 -0.127 0.000 1.155 135 K HN 0.519 nan 8.250 nan 0.000 0.428 136 W N 0.579 121.867 121.300 -0.019 0.000 2.864 136 W HA 0.337 4.996 4.660 -0.000 0.000 0.343 136 W C 0.793 177.322 176.519 0.015 0.000 1.109 136 W CA -0.587 56.759 57.345 0.002 0.000 1.192 136 W CB 1.208 30.674 29.460 0.010 0.000 1.426 136 W HN 0.536 nan 8.180 nan 0.000 0.529 137 D N 0.586 121.131 120.400 0.241 0.000 2.240 137 D HA 0.028 4.667 4.640 -0.001 0.000 0.206 137 D C -0.357 176.145 176.300 0.337 0.000 0.963 137 D CA 1.132 55.245 54.000 0.188 0.000 0.863 137 D CB 0.626 41.475 40.800 0.082 0.000 0.973 137 D HN 0.029 nan 8.370 nan 0.000 0.501 138 F N 0.863 120.914 119.950 0.170 0.000 2.588 138 F HA 0.430 4.956 4.527 -0.001 0.000 0.314 138 F C -1.686 174.183 175.800 0.114 0.000 1.134 138 F CA -1.075 57.015 58.000 0.151 0.000 0.961 138 F CB 1.334 40.431 39.000 0.160 0.000 1.239 138 F HN -0.331 nan 8.300 nan 0.000 0.448 139 I N 5.567 125.855 120.570 -0.470 0.000 2.582 139 I HA 0.403 4.572 4.170 -0.001 0.000 0.292 139 I C -1.448 174.248 176.117 -0.702 0.000 1.066 139 I CA -0.805 60.171 61.300 -0.539 0.000 1.053 139 I CB 2.367 40.172 38.000 -0.326 0.000 1.241 139 I HN 0.709 nan 8.210 nan 0.000 0.421 140 H N 4.014 122.742 119.070 -0.570 0.000 2.806 140 H HA 0.728 5.283 4.556 -0.001 0.000 0.367 140 H C -1.461 173.678 175.328 -0.315 0.000 1.136 140 H CA -1.285 54.503 56.048 -0.433 0.000 1.178 140 H CB 1.539 31.090 29.762 -0.352 0.000 1.718 140 H HN 0.433 nan 8.280 nan 0.000 0.540 141 M N 3.969 123.499 119.600 -0.117 0.000 1.987 141 M HA 0.364 4.844 4.480 -0.001 0.000 0.298 141 M C -1.263 174.996 176.300 -0.068 0.000 0.892 141 M CA -0.226 54.987 55.300 -0.146 0.000 0.885 141 M CB 1.283 33.744 32.600 -0.232 0.000 1.469 141 M HN 0.506 nan 8.290 nan 0.000 0.389 142 I N 4.019 124.598 120.570 0.015 0.000 2.307 142 I HA 0.169 4.338 4.170 -0.001 0.000 0.289 142 I C 0.357 176.494 176.117 0.034 0.000 1.021 142 I CA -0.375 60.929 61.300 0.007 0.000 1.224 142 I CB 1.018 39.048 38.000 0.049 0.000 1.376 142 I HN 0.693 nan 8.210 nan 0.000 0.470 143 Q N 5.452 125.248 119.800 -0.006 0.000 2.453 143 Q HA -0.223 4.117 4.340 -0.001 0.000 0.294 143 Q C 0.282 176.386 176.000 0.173 0.000 1.295 143 Q CA 1.045 56.922 55.803 0.124 0.000 0.853 143 Q CB -0.948 27.931 28.738 0.236 0.000 1.193 143 Q HN 0.920 nan 8.270 nan 0.000 0.461 144 M N -4.982 114.595 119.600 -0.039 0.000 2.193 144 M HA 0.257 4.737 4.480 -0.001 0.000 0.365 144 M C 0.908 177.098 176.300 -0.184 0.000 0.877 144 M CA 0.490 55.836 55.300 0.076 0.000 1.077 144 M CB -0.104 32.581 32.600 0.142 0.000 1.967 144 M HN 0.061 nan 8.290 nan 0.000 0.668 145 L N 0.115 121.069 121.223 -0.447 0.000 2.353 145 L HA -0.071 4.269 4.340 -0.001 0.000 0.220 145 L C 1.603 178.169 176.870 -0.505 0.000 1.133 145 L CA 1.349 55.935 54.840 -0.424 0.000 0.798 145 L CB -0.685 41.122 42.059 -0.420 0.000 0.922 145 L HN 0.387 nan 8.230 nan 0.000 0.445 146 Y N -1.893 118.090 120.300 -0.528 0.000 2.333 146 Y HA -0.231 4.319 4.550 -0.000 0.000 0.290 146 Y C 1.607 177.097 175.900 -0.683 0.000 1.144 146 Y CA 0.923 58.605 58.100 -0.697 0.000 1.228 146 Y CB -0.583 37.297 38.460 -0.968 0.000 0.985 146 Y HN 0.172 nan 8.280 nan 0.000 0.542 147 Y N -1.195 119.108 120.300 0.004 0.000 2.468 147 Y HA 0.316 4.865 4.550 -0.001 0.000 0.268 147 Y C 0.197 176.068 175.900 -0.049 0.000 1.177 147 Y CA -0.697 57.379 58.100 -0.039 0.000 1.265 147 Y CB -0.033 38.406 38.460 -0.036 0.000 1.103 147 Y HN -0.249 nan 8.280 nan 0.000 0.522 148 V N 1.082 120.991 119.914 -0.009 0.000 2.407 148 V HA 0.318 4.438 4.120 -0.001 0.000 0.278 148 V C 0.999 177.076 176.094 -0.027 0.000 1.037 148 V CA -0.121 62.179 62.300 -0.001 0.000 0.900 148 V CB 1.003 32.820 31.823 -0.011 0.000 0.983 148 V HN 0.387 nan 8.190 nan 0.000 0.459 149 K N 3.056 123.448 120.400 -0.014 0.000 2.001 149 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 149 K C 0.931 177.513 176.600 -0.030 0.000 1.048 149 K CA 1.751 58.021 56.287 -0.029 0.000 0.932 149 K CB -0.128 32.358 32.500 -0.023 0.000 0.715 149 K HN 0.715 nan 8.250 nan 0.000 0.437 150 D N -0.188 120.201 120.400 -0.018 0.000 2.479 150 D HA 0.329 4.968 4.640 -0.001 0.000 0.247 150 D C 0.743 177.042 176.300 -0.001 0.000 1.119 150 D CA -0.506 53.485 54.000 -0.015 0.000 0.922 150 D CB 0.143 40.933 40.800 -0.016 0.000 1.014 150 D HN 0.312 nan 8.370 nan 0.000 0.510 151 I N 3.295 123.856 120.570 -0.015 0.000 2.202 151 I HA -0.126 4.044 4.170 -0.001 0.000 0.242 151 I C -0.724 175.398 176.117 0.008 0.000 1.091 151 I CA 0.705 61.998 61.300 -0.012 0.000 1.368 151 I CB -0.885 37.086 38.000 -0.047 0.000 1.058 151 I HN 0.290 nan 8.210 nan 0.000 0.410 152 P HA -0.146 nan 4.420 nan 0.000 0.217 152 P C 1.478 178.797 177.300 0.032 0.000 1.150 152 P CA 1.693 64.797 63.100 0.007 0.000 0.832 152 P CB 0.013 31.711 31.700 -0.003 0.000 0.787 153 A N -1.085 121.753 122.820 0.030 0.000 1.930 153 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 153 A C 2.220 179.862 177.584 0.095 0.000 1.175 153 A CA 2.195 54.257 52.037 0.042 0.000 0.627 153 A CB -1.827 17.176 19.000 0.004 0.000 0.815 153 A HN 0.131 nan 8.150 nan 0.000 0.443 154 T N 0.645 115.266 114.554 0.112 0.000 2.708 154 T HA -0.098 4.252 4.350 -0.001 0.000 0.266 154 T C 1.824 176.712 174.700 0.314 0.000 1.037 154 T CA 1.512 63.753 62.100 0.236 0.000 1.146 154 T CB -0.404 68.597 68.868 0.221 0.000 0.865 154 T HN 0.373 nan 8.240 nan 0.000 0.435 155 L N 0.805 122.139 121.223 0.185 0.000 2.017 155 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 155 L C 2.710 179.683 176.870 0.172 0.000 1.073 155 L CA 1.525 56.460 54.840 0.159 0.000 0.745 155 L CB -0.550 41.542 42.059 0.055 0.000 0.894 155 L HN 0.252 nan 8.230 nan 0.000 0.432 156 K N 0.128 120.605 120.400 0.128 0.000 2.026 156 K HA -0.252 4.068 4.320 -0.001 0.000 0.208 156 K C 2.252 178.943 176.600 0.152 0.000 1.048 156 K CA 1.668 58.027 56.287 0.120 0.000 0.929 156 K CB -0.270 32.280 32.500 0.083 0.000 0.713 156 K HN 0.086 nan 8.250 nan 0.000 0.439 157 F N 0.892 120.833 119.950 -0.016 0.000 2.051 157 F HA -0.131 4.395 4.527 -0.001 0.000 0.296 157 F C 1.660 177.361 175.800 -0.166 0.000 1.122 157 F CA 1.561 59.473 58.000 -0.146 0.000 1.201 157 F CB -0.607 38.201 39.000 -0.320 0.000 0.978 157 F HN -0.016 nan 8.300 nan 0.000 0.472 158 F N -0.277 119.611 119.950 -0.103 0.000 2.216 158 F HA -0.223 4.305 4.527 0.000 0.000 0.300 158 F C 2.834 178.540 175.800 -0.157 0.000 1.085 158 F CA 1.696 59.558 58.000 -0.230 0.000 1.326 158 F CB -0.880 38.082 39.000 -0.064 0.000 1.027 158 F HN 0.219 nan 8.300 nan 0.000 0.497 159 H N 0.134 119.223 119.070 0.031 0.000 2.421 159 H HA -0.130 4.425 4.556 -0.001 0.000 0.298 159 H C 2.180 177.492 175.328 -0.026 0.000 1.087 159 H CA 1.639 57.702 56.048 0.025 0.000 1.330 159 H CB -0.083 29.703 29.762 0.041 0.000 1.388 159 H HN 0.317 nan 8.280 nan 0.000 0.526 160 S N 0.061 115.696 115.700 -0.108 0.000 2.555 160 S HA 0.020 4.490 4.470 -0.001 0.000 0.230 160 S C 2.010 176.485 174.600 -0.208 0.000 0.978 160 S CA 0.208 58.318 58.200 -0.150 0.000 0.934 160 S CB -0.380 62.769 63.200 -0.086 0.000 0.766 160 S HN 0.422 nan 8.310 nan 0.000 0.533 161 L N 0.606 121.689 121.223 -0.233 0.000 2.592 161 L HA 0.377 4.716 4.340 -0.001 0.000 0.227 161 L C 0.234 177.140 176.870 0.060 0.000 1.127 161 L CA -0.061 54.737 54.840 -0.070 0.000 0.884 161 L CB -0.157 41.881 42.059 -0.035 0.000 1.065 161 L HN 0.273 nan 8.230 nan 0.000 0.457 162 L N 0.403 121.594 121.223 -0.054 0.000 2.410 162 L HA 0.223 4.562 4.340 -0.001 0.000 0.273 162 L C 1.084 177.937 176.870 -0.029 0.000 1.152 162 L CA -0.290 54.539 54.840 -0.019 0.000 0.855 162 L CB 0.666 42.658 42.059 -0.111 0.000 1.129 162 L HN 0.001 nan 8.230 nan 0.000 0.463 163 G N 1.861 110.670 108.800 0.015 0.000 2.510 163 G HA2 0.255 4.214 3.960 -0.001 0.000 0.280 163 G HA3 0.255 4.214 3.960 -0.001 0.000 0.280 163 G C -0.314 174.584 174.900 -0.003 0.000 1.386 163 G CA -0.497 44.596 45.100 -0.013 0.000 1.047 163 G HN 0.497 nan 8.290 nan 0.000 0.527 164 T N 0.851 115.401 114.554 -0.007 0.000 2.867 164 T HA 0.125 4.474 4.350 -0.001 0.000 0.297 164 T C 0.624 175.338 174.700 0.023 0.000 0.989 164 T CA 0.909 63.013 62.100 0.006 0.000 1.159 164 T CB 0.015 68.883 68.868 -0.001 0.000 0.928 164 T HN 0.630 nan 8.240 nan 0.000 0.538 165 N N -0.359 118.365 118.700 0.040 0.000 2.753 165 N HA -0.185 4.555 4.740 -0.001 0.000 0.251 165 N C 0.076 175.637 175.510 0.085 0.000 1.097 165 N CA 0.833 53.919 53.050 0.061 0.000 0.786 165 N CB -1.191 37.328 38.487 0.053 0.000 1.137 165 N HN 0.870 nan 8.380 nan 0.000 0.566 166 A N -0.032 122.840 122.820 0.087 0.000 2.313 166 A HA 0.624 4.943 4.320 -0.001 0.000 0.261 166 A C 0.489 178.183 177.584 0.183 0.000 1.090 166 A CA 0.320 52.441 52.037 0.139 0.000 0.807 166 A CB 0.707 19.778 19.000 0.119 0.000 1.055 166 A HN 0.217 nan 8.150 nan 0.000 0.492 167 K N -0.312 120.264 120.400 0.293 0.000 2.469 167 K HA 0.544 4.864 4.320 -0.001 0.000 0.254 167 K C -1.213 175.547 176.600 0.265 0.000 0.939 167 K CA -0.358 56.126 56.287 0.327 0.000 0.812 167 K CB 2.328 35.081 32.500 0.423 0.000 1.301 167 K HN 0.760 nan 8.250 nan 0.000 0.433 168 M N 3.799 123.498 119.600 0.165 0.000 2.243 168 M HA 0.395 4.874 4.480 -0.001 0.000 0.324 168 M C -1.802 174.527 176.300 0.048 0.000 1.031 168 M CA -1.085 54.214 55.300 -0.000 0.000 0.949 168 M CB 1.079 33.701 32.600 0.037 0.000 1.615 168 M HN 0.534 nan 8.290 nan 0.000 0.430 169 L N 7.016 128.190 121.223 -0.081 0.000 2.313 169 L HA 0.702 5.042 4.340 -0.001 0.000 0.283 169 L C -1.725 175.146 176.870 0.003 0.000 1.013 169 L CA -0.155 54.733 54.840 0.081 0.000 0.816 169 L CB 1.240 43.428 42.059 0.216 0.000 1.236 169 L HN 0.767 nan 8.230 nan 0.000 0.419 170 I N 6.127 126.701 120.570 0.007 0.000 2.545 170 I HA 0.469 4.639 4.170 -0.001 0.000 0.292 170 I C -0.803 175.234 176.117 -0.133 0.000 1.040 170 I CA -0.503 60.750 61.300 -0.079 0.000 1.068 170 I CB 2.067 40.005 38.000 -0.103 0.000 1.251 170 I HN 0.502 nan 8.210 nan 0.000 0.424 171 I N 6.902 127.352 120.570 -0.200 0.000 2.478 171 I HA 0.530 4.700 4.170 -0.001 0.000 0.287 171 I C -0.621 175.339 176.117 -0.263 0.000 1.042 171 I CA -0.762 60.337 61.300 -0.334 0.000 1.067 171 I CB 1.963 39.693 38.000 -0.451 0.000 1.233 171 I HN 0.306 nan 8.210 nan 0.000 0.431 172 V N 3.855 123.627 119.914 -0.237 0.000 3.181 172 V HA 0.650 4.769 4.120 -0.001 0.000 0.308 172 V C 0.004 176.089 176.094 -0.014 0.000 1.214 172 V CA -0.977 61.247 62.300 -0.127 0.000 1.053 172 V CB 1.599 33.297 31.823 -0.210 0.000 1.069 172 V HN 0.482 nan 8.190 nan 0.000 0.441 173 V N -0.625 119.379 119.914 0.150 0.000 3.139 173 V HA 0.521 4.641 4.120 -0.001 0.000 0.307 173 V C 0.730 176.885 176.094 0.103 0.000 1.095 173 V CA 0.640 63.013 62.300 0.121 0.000 1.160 173 V CB 0.899 32.774 31.823 0.087 0.000 1.003 173 V HN 1.382 nan 8.190 nan 0.000 0.489 174 S N 2.201 117.959 115.700 0.097 0.000 2.617 174 S HA 0.495 4.965 4.470 -0.001 0.000 0.269 174 S C 1.372 176.008 174.600 0.061 0.000 1.292 174 S CA 0.045 58.288 58.200 0.070 0.000 1.010 174 S CB 0.956 64.198 63.200 0.069 0.000 0.944 174 S HN 1.416 nan 8.310 nan 0.000 0.536 175 G N 0.979 109.808 108.800 0.048 0.000 2.534 175 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.217 175 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.217 175 G C 0.983 175.878 174.900 -0.008 0.000 1.128 175 G CA 0.695 45.816 45.100 0.035 0.000 0.784 175 G HN 0.895 nan 8.290 nan 0.000 0.542 176 S N 0.025 115.717 115.700 -0.013 0.000 2.574 176 S HA 0.382 4.852 4.470 -0.001 0.000 0.242 176 S C 0.826 175.366 174.600 -0.100 0.000 0.982 176 S CA 0.124 58.293 58.200 -0.053 0.000 0.977 176 S CB 0.101 63.286 63.200 -0.024 0.000 0.814 176 S HN 0.380 nan 8.310 nan 0.000 0.464 177 S N 0.099 115.739 115.700 -0.100 0.000 2.713 177 S HA 0.705 5.174 4.470 -0.001 0.000 0.283 177 S C 1.395 175.769 174.600 -0.378 0.000 1.161 177 S CA -0.183 57.918 58.200 -0.165 0.000 0.999 177 S CB 0.781 64.001 63.200 0.034 0.000 1.039 177 S HN 0.252 nan 8.310 nan 0.000 0.548 178 G N -0.269 108.096 108.800 -0.724 0.000 2.432 178 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.219 178 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.219 178 G C 0.861 175.414 174.900 -0.578 0.000 1.135 178 G CA 0.275 44.749 45.100 -1.044 0.000 0.767 178 G HN 0.840 nan 8.290 nan 0.000 0.550 179 W N 0.926 122.035 121.300 -0.318 0.000 2.318 179 W HA -0.075 4.585 4.660 -0.000 0.000 0.313 179 W C 2.313 178.331 176.519 -0.835 0.000 1.221 179 W CA 0.950 57.854 57.345 -0.734 0.000 1.266 179 W CB -0.208 28.593 29.460 -1.099 0.000 1.150 179 W HN 0.169 nan 8.180 nan 0.000 0.496 180 D N 0.926 121.178 120.400 -0.247 0.000 2.133 180 D HA -0.254 4.386 4.640 -0.001 0.000 0.195 180 D C 2.282 178.524 176.300 -0.095 0.000 0.997 180 D CA 2.799 56.753 54.000 -0.078 0.000 0.840 180 D CB 0.061 40.835 40.800 -0.042 0.000 0.947 180 D HN 0.249 nan 8.370 nan 0.000 0.452 181 K N 0.754 120.984 120.400 -0.284 0.000 2.031 181 K HA -0.073 4.247 4.320 -0.001 0.000 0.205 181 K C 2.291 178.883 176.600 -0.013 0.000 1.049 181 K CA 1.126 57.224 56.287 -0.315 0.000 0.939 181 K CB -1.289 30.622 32.500 -0.981 0.000 0.717 181 K HN 0.207 nan 8.250 nan 0.000 0.438 182 L N -0.363 120.871 121.223 0.017 0.000 2.013 182 L HA -0.133 4.206 4.340 -0.001 0.000 0.212 182 L C 2.387 179.449 176.870 0.321 0.000 1.073 182 L CA 2.143 57.198 54.840 0.357 0.000 0.753 182 L CB -0.534 41.625 42.059 0.167 0.000 0.890 182 L HN 0.632 nan 8.230 nan 0.000 0.432 183 W N 0.181 121.505 121.300 0.040 0.000 2.381 183 W HA -0.077 4.582 4.660 -0.001 0.000 0.301 183 W C 2.570 178.999 176.519 -0.149 0.000 1.205 183 W CA 0.920 58.110 57.345 -0.258 0.000 1.285 183 W CB -0.989 28.217 29.460 -0.424 0.000 1.133 183 W HN 0.199 nan 8.180 nan 0.000 0.521 184 K N 0.291 120.801 120.400 0.183 0.000 2.147 184 K HA -0.180 4.140 4.320 -0.001 0.000 0.205 184 K C 2.002 178.627 176.600 0.041 0.000 1.049 184 K CA 1.507 57.856 56.287 0.104 0.000 0.936 184 K CB -0.146 32.403 32.500 0.082 0.000 0.722 184 K HN 0.049 nan 8.250 nan 0.000 0.446 185 K N -0.526 119.907 120.400 0.054 0.000 2.244 185 K HA -0.012 4.308 4.320 -0.001 0.000 0.200 185 K C 0.759 177.127 176.600 -0.387 0.000 1.052 185 K CA 0.645 56.854 56.287 -0.129 0.000 0.980 185 K CB 0.370 32.823 32.500 -0.077 0.000 0.838 185 K HN 0.046 nan 8.250 nan 0.000 0.481 186 Y N -0.772 119.429 120.300 -0.166 0.000 2.500 186 Y HA 0.313 4.862 4.550 -0.001 0.000 0.246 186 Y C 1.736 177.175 175.900 -0.768 0.000 1.146 186 Y CA -0.141 57.668 58.100 -0.484 0.000 1.230 186 Y CB 0.537 38.602 38.460 -0.659 0.000 1.214 186 Y HN 0.125 nan 8.280 nan 0.000 0.526 187 G N 0.655 109.302 108.800 -0.255 0.000 2.476 187 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.218 187 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.218 187 G C 1.866 176.804 174.900 0.064 0.000 1.164 187 G CA 1.629 46.669 45.100 -0.100 0.000 0.768 187 G HN 0.453 nan 8.290 nan 0.000 0.560 188 S N -0.061 115.643 115.700 0.007 0.000 2.515 188 S HA 0.055 4.525 4.470 -0.001 0.000 0.231 188 S C 2.070 176.694 174.600 0.041 0.000 0.987 188 S CA 0.853 59.079 58.200 0.042 0.000 0.936 188 S CB -0.051 63.157 63.200 0.013 0.000 0.766 188 S HN 0.388 nan 8.310 nan 0.000 0.528 189 R N -0.357 120.126 120.500 -0.028 0.000 2.334 189 R HA 0.437 4.776 4.340 -0.001 0.000 0.216 189 R C -0.321 176.144 176.300 0.274 0.000 0.905 189 R CA -0.071 56.069 56.100 0.067 0.000 1.064 189 R CB 0.109 30.437 30.300 0.047 0.000 1.046 189 R HN 0.429 nan 8.270 nan 0.000 0.508 190 F N 2.017 122.105 119.950 0.230 0.000 2.397 190 F HA 0.375 4.901 4.527 -0.001 0.000 0.331 190 F C -1.507 174.395 175.800 0.171 0.000 1.090 190 F CA -2.982 55.156 58.000 0.230 0.000 1.065 190 F CB 1.016 40.177 39.000 0.268 0.000 1.184 190 F HN -0.155 nan 8.300 nan 0.000 0.499 191 P HA 0.100 nan 4.420 nan 0.000 0.267 191 P C -1.068 176.308 177.300 0.126 0.000 1.200 191 P CA -0.053 63.154 63.100 0.179 0.000 0.772 191 P CB 0.622 32.400 31.700 0.129 0.000 0.855 192 Q N 1.495 121.331 119.800 0.061 0.000 2.274 192 Q HA 0.442 4.781 4.340 -0.001 0.000 0.260 192 Q C -0.709 175.266 176.000 -0.041 0.000 0.974 192 Q CA -0.624 55.172 55.803 -0.011 0.000 0.876 192 Q CB 1.536 30.264 28.738 -0.016 0.000 1.297 192 Q HN 0.628 nan 8.270 nan 0.000 0.446 193 D N 0.096 120.442 120.400 -0.091 0.000 2.757 193 D HA 0.385 5.024 4.640 -0.001 0.000 0.249 193 D C 0.239 176.479 176.300 -0.100 0.000 1.168 193 D CA 0.484 54.433 54.000 -0.085 0.000 0.870 193 D CB 1.645 42.388 40.800 -0.096 0.000 1.411 193 D HN 0.676 nan 8.370 nan 0.000 0.525 194 D N 2.330 122.685 120.400 -0.074 0.000 2.403 194 D HA -0.013 4.626 4.640 -0.001 0.000 0.227 194 D C 1.746 178.007 176.300 -0.064 0.000 0.995 194 D CA 1.308 55.267 54.000 -0.070 0.000 0.928 194 D CB -0.413 40.356 40.800 -0.050 0.000 0.887 194 D HN 0.383 nan 8.370 nan 0.000 0.529 195 L N -1.261 119.923 121.223 -0.065 0.000 2.529 195 L HA 0.577 4.916 4.340 -0.001 0.000 0.223 195 L C 1.471 178.358 176.870 0.029 0.000 1.113 195 L CA 0.848 55.671 54.840 -0.027 0.000 0.861 195 L CB -1.006 41.018 42.059 -0.059 0.000 1.012 195 L HN 0.644 nan 8.230 nan 0.000 0.461 196 C N 0.337 119.592 119.300 -0.076 0.000 2.783 196 C HA 0.720 5.179 4.460 -0.001 0.000 0.312 196 C C -0.839 173.944 174.990 -0.345 0.000 1.182 196 C CA -0.232 58.692 59.018 -0.156 0.000 1.432 196 C CB 1.343 28.987 27.740 -0.161 0.000 1.933 196 C HN 0.825 nan 8.230 nan 0.000 0.473 197 Q N 3.695 123.266 119.800 -0.383 0.000 2.372 197 Q HA 0.523 4.863 4.340 -0.001 0.000 0.273 197 Q C -1.784 173.918 176.000 -0.496 0.000 1.078 197 Q CA -0.652 54.868 55.803 -0.472 0.000 0.806 197 Q CB 1.357 29.938 28.738 -0.262 0.000 1.332 197 Q HN 0.764 nan 8.270 nan 0.000 0.435 198 Y N 2.820 122.853 120.300 -0.445 0.000 2.496 198 Y HA 0.361 4.911 4.550 -0.001 0.000 0.334 198 Y C 0.412 176.194 175.900 -0.198 0.000 1.080 198 Y CA -0.559 57.124 58.100 -0.694 0.000 1.355 198 Y CB 0.354 38.354 38.460 -0.767 0.000 1.193 198 Y HN 0.533 nan 8.280 nan 0.000 0.523 199 I N 0.281 120.949 120.570 0.164 0.000 2.802 199 I HA 0.840 5.010 4.170 -0.001 0.000 0.298 199 I C -0.651 175.699 176.117 0.388 0.000 1.176 199 I CA -0.838 60.584 61.300 0.204 0.000 1.025 199 I CB 2.770 40.770 38.000 -0.001 0.000 1.243 199 I HN 0.505 nan 8.210 nan 0.000 0.424 200 T N -0.481 114.226 114.554 0.255 0.000 2.838 200 T HA 0.352 4.702 4.350 -0.001 0.000 0.292 200 T C 0.903 175.649 174.700 0.077 0.000 1.113 200 T CA 0.009 62.241 62.100 0.220 0.000 1.008 200 T CB 1.387 70.393 68.868 0.230 0.000 1.259 200 T HN 0.859 nan 8.240 nan 0.000 0.520 201 S N -0.250 115.476 115.700 0.044 0.000 2.440 201 S HA -0.156 4.314 4.470 -0.001 0.000 0.238 201 S C 1.342 175.940 174.600 -0.003 0.000 1.010 201 S CA 1.311 59.507 58.200 -0.006 0.000 0.972 201 S CB -0.774 62.429 63.200 0.005 0.000 0.774 201 S HN 0.719 nan 8.310 nan 0.000 0.501 202 D N 1.962 122.381 120.400 0.031 0.000 2.097 202 D HA -0.104 4.536 4.640 -0.001 0.000 0.197 202 D C 1.481 177.790 176.300 0.015 0.000 0.984 202 D CA 1.402 55.420 54.000 0.029 0.000 0.826 202 D CB -0.284 40.543 40.800 0.045 0.000 0.973 202 D HN 0.423 nan 8.370 nan 0.000 0.460 203 D N 0.605 121.021 120.400 0.026 0.000 2.117 203 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 203 D C 2.216 178.496 176.300 -0.034 0.000 0.987 203 D CA 0.365 54.371 54.000 0.011 0.000 0.829 203 D CB -0.142 40.676 40.800 0.032 0.000 0.961 203 D HN 0.161 nan 8.370 nan 0.000 0.460 204 L N 1.272 122.458 121.223 -0.061 0.000 1.994 204 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 204 L C 2.622 179.379 176.870 -0.189 0.000 1.071 204 L CA 2.142 56.907 54.840 -0.123 0.000 0.745 204 L CB -1.278 40.695 42.059 -0.145 0.000 0.892 204 L HN 0.105 nan 8.230 nan 0.000 0.431 205 T N -3.461 110.978 114.554 -0.193 0.000 2.833 205 T HA -0.249 4.101 4.350 -0.001 0.000 0.269 205 T C 1.834 176.473 174.700 -0.102 0.000 1.054 205 T CA 1.446 63.385 62.100 -0.269 0.000 1.135 205 T CB -0.486 68.342 68.868 -0.068 0.000 0.869 205 T HN 0.497 nan 8.240 nan 0.000 0.466 206 Q N 0.392 120.165 119.800 -0.045 0.000 2.079 206 Q HA -0.041 4.299 4.340 -0.001 0.000 0.200 206 Q C 2.428 178.414 176.000 -0.024 0.000 0.974 206 Q CA 1.402 57.200 55.803 -0.008 0.000 0.840 206 Q CB -0.238 28.501 28.738 0.002 0.000 0.898 206 Q HN 0.620 nan 8.270 nan 0.000 0.430 207 M N 0.050 119.618 119.600 -0.052 0.000 2.175 207 M HA -0.173 4.307 4.480 -0.001 0.000 0.264 207 M C 2.165 178.428 176.300 -0.062 0.000 1.063 207 M CA 1.173 56.443 55.300 -0.050 0.000 1.119 207 M CB -0.222 32.343 32.600 -0.058 0.000 1.377 207 M HN 0.227 nan 8.290 nan 0.000 0.415 208 L N -0.091 121.060 121.223 -0.121 0.000 2.093 208 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 208 L C 2.032 178.910 176.870 0.012 0.000 1.085 208 L CA 0.894 55.661 54.840 -0.123 0.000 0.755 208 L CB -0.741 41.088 42.059 -0.384 0.000 0.904 208 L HN 0.263 nan 8.230 nan 0.000 0.435 209 D N 0.044 120.479 120.400 0.059 0.000 2.097 209 D HA -0.167 4.473 4.640 -0.001 0.000 0.195 209 D C 1.955 178.284 176.300 0.049 0.000 0.989 209 D CA 1.108 55.175 54.000 0.111 0.000 0.827 209 D CB -0.319 40.545 40.800 0.107 0.000 0.966 209 D HN 0.233 nan 8.370 nan 0.000 0.456 210 N N 0.405 119.118 118.700 0.022 0.000 2.223 210 N HA -0.068 4.672 4.740 -0.001 0.000 0.185 210 N C 1.959 177.471 175.510 0.002 0.000 1.016 210 N CA 0.293 53.349 53.050 0.010 0.000 0.863 210 N CB -0.260 38.229 38.487 0.003 0.000 0.983 210 N HN 0.256 nan 8.380 nan 0.000 0.429 211 L N -0.274 120.944 121.223 -0.008 0.000 2.376 211 L HA 0.035 4.374 4.340 -0.001 0.000 0.219 211 L C 1.118 177.971 176.870 -0.027 0.000 1.133 211 L CA 0.529 55.355 54.840 -0.023 0.000 0.816 211 L CB -0.419 41.614 42.059 -0.043 0.000 0.933 211 L HN 0.247 nan 8.230 nan 0.000 0.449 212 G N 0.533 109.331 108.800 -0.003 0.000 2.160 212 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.244 212 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.244 212 G C 0.032 174.925 174.900 -0.013 0.000 1.022 212 G CA -0.169 44.932 45.100 0.002 0.000 0.741 212 G HN 0.221 nan 8.290 nan 0.000 0.508 213 L N -0.232 120.987 121.223 -0.008 0.000 2.325 213 L HA 0.750 5.089 4.340 -0.001 0.000 0.279 213 L C 0.911 177.864 176.870 0.139 0.000 1.054 213 L CA -0.488 54.337 54.840 -0.025 0.000 0.804 213 L CB 1.219 43.198 42.059 -0.135 0.000 1.200 213 L HN 0.259 nan 8.230 nan 0.000 0.436 214 K N 2.975 123.443 120.400 0.114 0.000 2.234 214 K HA 0.527 4.847 4.320 -0.001 0.000 0.282 214 K C -0.951 175.762 176.600 0.188 0.000 1.039 214 K CA -0.179 56.165 56.287 0.094 0.000 0.928 214 K CB 0.776 33.307 32.500 0.052 0.000 1.039 214 K HN 0.650 nan 8.250 nan 0.000 0.470 215 Y N -1.970 118.346 120.300 0.026 0.000 2.725 215 Y HA 0.712 5.261 4.550 -0.001 0.000 0.333 215 Y C -0.695 175.197 175.900 -0.013 0.000 1.242 215 Y CA -1.311 56.807 58.100 0.030 0.000 1.059 215 Y CB 1.211 39.684 38.460 0.022 0.000 1.306 215 Y HN 0.586 nan 8.280 nan 0.000 0.454 216 E N 0.547 120.775 120.200 0.047 0.000 2.317 216 E HA 0.579 4.928 4.350 -0.001 0.000 0.270 216 E C -1.894 174.612 176.600 -0.156 0.000 0.885 216 E CA -1.078 55.207 56.400 -0.192 0.000 0.760 216 E CB 2.792 32.354 29.700 -0.231 0.000 1.227 216 E HN 0.808 nan 8.360 nan 0.000 0.434 217 C N 3.160 122.280 119.300 -0.301 0.000 2.396 217 C HA 0.627 5.086 4.460 -0.001 0.000 0.321 217 C C -1.635 173.179 174.990 -0.293 0.000 1.233 217 C CA -0.521 58.403 59.018 -0.158 0.000 1.440 217 C CB -0.586 27.221 27.740 0.111 0.000 2.110 217 C HN 0.692 nan 8.230 nan 0.000 0.473 218 Y N 3.236 123.685 120.300 0.248 0.000 2.409 218 Y HA 0.560 5.110 4.550 -0.001 0.000 0.343 218 Y C 0.050 176.119 175.900 0.282 0.000 0.973 218 Y CA -0.847 57.398 58.100 0.241 0.000 1.064 218 Y CB 0.899 39.523 38.460 0.273 0.000 1.207 218 Y HN 0.527 nan 8.280 nan 0.000 0.452 219 D N 1.969 122.583 120.400 0.357 0.000 2.163 219 D HA 0.705 5.345 4.640 -0.001 0.000 0.248 219 D C -0.785 175.694 176.300 0.297 0.000 1.035 219 D CA -0.227 53.954 54.000 0.302 0.000 0.872 219 D CB 1.714 42.623 40.800 0.182 0.000 1.183 219 D HN 0.665 nan 8.370 nan 0.000 0.445 220 L N 1.752 123.176 121.223 0.334 0.000 2.441 220 L HA 0.577 4.916 4.340 -0.001 0.000 0.270 220 L C -0.385 176.619 176.870 0.224 0.000 0.973 220 L CA -1.199 53.802 54.840 0.269 0.000 0.842 220 L CB 1.040 43.290 42.059 0.318 0.000 1.239 220 L HN 0.453 nan 8.230 nan 0.000 0.406 221 L N 2.751 124.063 121.223 0.149 0.000 2.490 221 L HA 0.675 5.015 4.340 -0.001 0.000 0.274 221 L C 0.579 177.528 176.870 0.132 0.000 1.201 221 L CA 1.066 55.975 54.840 0.116 0.000 0.869 221 L CB 1.229 43.333 42.059 0.075 0.000 1.123 221 L HN 1.106 nan 8.230 nan 0.000 0.484 222 S N 2.694 118.475 115.700 0.135 0.000 2.556 222 S HA 0.900 5.370 4.470 -0.001 0.000 0.271 222 S C -0.666 174.019 174.600 0.143 0.000 1.135 222 S CA 0.054 58.344 58.200 0.150 0.000 0.858 222 S CB 1.414 64.736 63.200 0.203 0.000 1.114 222 S HN 1.065 nan 8.310 nan 0.000 0.468 223 T N 0.634 115.268 114.554 0.134 0.000 2.865 223 T HA 0.720 5.070 4.350 -0.001 0.000 0.294 223 T C -0.799 174.008 174.700 0.178 0.000 1.119 223 T CA -0.814 61.372 62.100 0.143 0.000 1.007 223 T CB 1.639 70.558 68.868 0.086 0.000 1.225 223 T HN 0.736 nan 8.240 nan 0.000 0.515 224 M N 2.274 122.016 119.600 0.236 0.000 2.151 224 M HA 0.386 4.866 4.480 -0.001 0.000 0.290 224 M C -1.683 174.720 176.300 0.172 0.000 0.965 224 M CA -0.500 54.942 55.300 0.236 0.000 0.930 224 M CB 1.544 34.398 32.600 0.424 0.000 1.560 224 M HN 0.845 nan 8.290 nan 0.000 0.438 225 D N 5.363 125.840 120.400 0.128 0.000 2.344 225 D HA 0.179 4.819 4.640 -0.001 0.000 0.253 225 D C 0.666 176.992 176.300 0.043 0.000 1.255 225 D CA 0.047 54.112 54.000 0.108 0.000 0.894 225 D CB 0.300 41.189 40.800 0.148 0.000 1.067 225 D HN 0.623 nan 8.370 nan 0.000 0.492 226 I N 0.505 121.097 120.570 0.036 0.000 3.816 226 I HA 0.216 4.386 4.170 -0.001 0.000 0.334 226 I C 0.914 177.061 176.117 0.051 0.000 1.551 226 I CA -0.548 60.710 61.300 -0.070 0.000 1.153 226 I CB 0.432 38.327 38.000 -0.176 0.000 1.197 226 I HN 0.054 nan 8.210 nan 0.000 0.439 227 S N 1.682 117.454 115.700 0.119 0.000 2.370 227 S HA -0.218 4.251 4.470 -0.001 0.000 0.226 227 S C 1.954 176.676 174.600 0.202 0.000 1.033 227 S CA 2.130 60.459 58.200 0.215 0.000 1.011 227 S CB -0.656 62.610 63.200 0.110 0.000 0.852 227 S HN 0.820 nan 8.310 nan 0.000 0.457 228 D N -0.214 120.212 120.400 0.042 0.000 2.351 228 D HA -0.091 4.548 4.640 -0.001 0.000 0.216 228 D C 1.671 177.964 176.300 -0.013 0.000 0.968 228 D CA 1.221 55.228 54.000 0.011 0.000 0.899 228 D CB -1.079 nan 40.800 nan 0.000 0.907 228 D HN 0.564 nan 8.370 nan 0.000 0.514 229 C N -0.695 118.507 119.300 -0.163 0.000 2.500 229 C HA 0.237 4.697 4.460 -0.001 0.000 0.273 229 C C 0.696 175.539 174.990 -0.245 0.000 1.428 229 C CA -0.294 58.482 59.018 -0.404 0.000 1.766 229 C CB -1.685 25.338 27.740 -1.196 0.000 1.817 229 C HN 0.577 nan 8.230 nan 0.000 0.543 230 F N 1.222 121.242 119.950 0.116 0.000 2.611 230 F HA 0.573 5.100 4.527 -0.001 0.000 0.321 230 F C 0.107 175.976 175.800 0.115 0.000 1.208 230 F CA -0.006 58.081 58.000 0.145 0.000 1.249 230 F CB -0.191 38.853 39.000 0.074 0.000 1.514 230 F HN -0.008 nan 8.300 nan 0.000 0.561 231 I N 1.147 121.843 120.570 0.209 0.000 2.758 231 I HA -0.014 4.156 4.170 -0.001 0.000 0.283 231 I C -1.166 175.010 176.117 0.098 0.000 1.566 231 I CA -0.904 60.480 61.300 0.140 0.000 1.084 231 I CB 1.485 39.555 38.000 0.117 0.000 1.469 231 I HN 0.124 nan 8.210 nan 0.000 0.422 232 D N 5.304 125.742 120.400 0.063 0.000 2.449 232 D HA 0.330 4.970 4.640 -0.001 0.000 0.236 232 D C 1.188 177.506 176.300 0.030 0.000 1.149 232 D CA 1.501 55.516 54.000 0.026 0.000 0.878 232 D CB 1.334 42.139 40.800 0.008 0.000 1.198 232 D HN 0.876 nan 8.370 nan 0.000 0.446 233 G N 3.200 112.011 108.800 0.018 0.000 2.708 233 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.229 233 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.229 233 G C 0.565 175.485 174.900 0.034 0.000 1.236 233 G CA 0.249 45.361 45.100 0.021 0.000 0.749 233 G HN 0.982 nan 8.290 nan 0.000 0.515 234 N N 1.730 120.458 118.700 0.047 0.000 2.236 234 N HA -0.030 4.710 4.740 -0.001 0.000 0.274 234 N C 1.376 176.915 175.510 0.048 0.000 1.339 234 N CA 0.823 53.901 53.050 0.047 0.000 0.845 234 N CB 0.372 38.893 38.487 0.056 0.000 1.091 234 N HN 0.502 nan 8.380 nan 0.000 0.489 235 E N 3.328 123.549 120.200 0.035 0.000 2.072 235 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 235 E C 1.363 177.981 176.600 0.030 0.000 0.985 235 E CA 0.777 57.198 56.400 0.035 0.000 0.801 235 E CB -0.387 29.330 29.700 0.028 0.000 0.750 235 E HN 0.718 nan 8.360 nan 0.000 0.452 236 N N 0.725 119.428 118.700 0.004 0.000 2.120 236 N HA -0.133 4.607 4.740 -0.001 0.000 0.188 236 N C 2.056 177.525 175.510 -0.069 0.000 1.024 236 N CA 1.305 54.326 53.050 -0.049 0.000 0.852 236 N CB -0.103 38.325 38.487 -0.098 0.000 1.003 236 N HN 0.139 nan 8.380 nan 0.000 0.424 237 G N 0.576 109.357 108.800 -0.032 0.000 2.440 237 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 237 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 237 G C 1.120 176.107 174.900 0.144 0.000 1.154 237 G CA 1.075 46.166 45.100 -0.016 0.000 0.767 237 G HN 0.346 nan 8.290 nan 0.000 0.552 238 D N 0.139 120.662 120.400 0.206 0.000 2.178 238 D HA -0.028 4.612 4.640 -0.001 0.000 0.201 238 D C 2.586 179.007 176.300 0.202 0.000 0.980 238 D CA 0.342 54.500 54.000 0.262 0.000 0.842 238 D CB -0.155 40.726 40.800 0.134 0.000 0.948 238 D HN 0.304 nan 8.370 nan 0.000 0.472 239 L N -0.102 121.184 121.223 0.105 0.000 2.093 239 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 239 L C 2.273 179.198 176.870 0.091 0.000 1.085 239 L CA 0.626 55.517 54.840 0.085 0.000 0.755 239 L CB -0.214 41.866 42.059 0.034 0.000 0.904 239 L HN 0.103 nan 8.230 nan 0.000 0.435 240 L N -2.202 119.030 121.223 0.015 0.000 2.109 240 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 240 L C 2.383 179.221 176.870 -0.053 0.000 1.086 240 L CA 1.248 56.066 54.840 -0.037 0.000 0.760 240 L CB -0.496 41.440 42.059 -0.206 0.000 0.910 240 L HN 0.328 nan 8.230 nan 0.000 0.437 241 W N 1.171 122.416 121.300 -0.092 0.000 2.333 241 W HA -0.247 4.413 4.660 -0.001 0.000 0.316 241 W C 2.382 178.800 176.519 -0.168 0.000 1.215 241 W CA 1.235 58.486 57.345 -0.156 0.000 1.278 241 W CB -0.198 29.241 29.460 -0.036 0.000 1.154 241 W HN 0.180 nan 8.180 nan 0.000 0.486 242 D N -0.741 119.798 120.400 0.231 0.000 2.104 242 D HA -0.234 4.406 4.640 -0.001 0.000 0.194 242 D C 1.768 178.116 176.300 0.081 0.000 0.994 242 D CA 1.434 55.523 54.000 0.149 0.000 0.830 242 D CB -0.971 39.934 40.800 0.176 0.000 0.959 242 D HN 0.036 nan 8.370 nan 0.000 0.452 243 F N 1.057 120.996 119.950 -0.018 0.000 2.075 243 F HA -0.104 4.422 4.527 -0.001 0.000 0.297 243 F C 2.124 177.907 175.800 -0.029 0.000 1.113 243 F CA 1.122 59.112 58.000 -0.018 0.000 1.218 243 F CB -0.395 38.597 39.000 -0.014 0.000 0.984 243 F HN -0.098 nan 8.300 nan 0.000 0.472 244 L N -0.372 120.763 121.223 -0.148 0.000 2.191 244 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 244 L C 2.085 178.733 176.870 -0.370 0.000 1.103 244 L CA 1.774 56.424 54.840 -0.316 0.000 0.769 244 L CB -1.004 40.703 42.059 -0.586 0.000 0.908 244 L HN 0.353 nan 8.230 nan 0.000 0.438 245 T N -4.893 109.326 114.554 -0.558 0.000 3.054 245 T HA 0.272 4.621 4.350 -0.001 0.000 0.255 245 T C 0.973 175.252 174.700 -0.701 0.000 1.035 245 T CA 0.550 61.982 62.100 -1.112 0.000 0.941 245 T CB 0.247 68.293 68.868 -1.370 0.000 1.026 245 T HN 0.345 nan 8.240 nan 0.000 0.533 246 E N -0.290 119.719 120.200 -0.319 0.000 2.440 246 E HA -0.179 4.170 4.350 -0.001 0.000 0.246 246 E C 0.149 176.707 176.600 -0.069 0.000 1.165 246 E CA 1.306 57.625 56.400 -0.134 0.000 0.726 246 E CB -2.869 26.790 29.700 -0.068 0.000 1.271 246 E HN 0.757 nan 8.360 nan 0.000 0.397 247 T N -1.099 113.420 114.554 -0.058 0.000 2.863 247 T HA 0.575 4.924 4.350 -0.001 0.000 0.285 247 T C 0.204 174.974 174.700 0.117 0.000 1.009 247 T CA -0.048 62.089 62.100 0.063 0.000 0.989 247 T CB 1.750 70.724 68.868 0.177 0.000 1.004 247 T HN 0.607 nan 8.240 nan 0.000 0.455 248 C N 3.725 123.092 119.300 0.112 0.000 2.514 248 C HA 0.260 4.720 4.460 -0.001 0.000 0.392 248 C C 0.873 175.926 174.990 0.103 0.000 1.294 248 C CA -0.739 58.341 59.018 0.104 0.000 1.957 248 C CB -1.118 26.669 27.740 0.078 0.000 2.541 248 C HN 0.977 nan 8.230 nan 0.000 0.569 249 N N 1.894 120.656 118.700 0.104 0.000 2.686 249 N HA -0.226 4.513 4.740 -0.001 0.000 0.261 249 N C 0.276 175.827 175.510 0.068 0.000 1.001 249 N CA 0.586 53.680 53.050 0.073 0.000 0.764 249 N CB -0.863 37.640 38.487 0.027 0.000 0.898 249 N HN 0.836 nan 8.380 nan 0.000 0.544 250 F N 1.770 121.702 119.950 -0.029 0.000 2.065 250 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 250 F C 1.944 177.646 175.800 -0.164 0.000 1.112 250 F CA 1.875 59.831 58.000 -0.073 0.000 1.212 250 F CB -0.124 38.849 39.000 -0.045 0.000 0.975 250 F HN 0.214 nan 8.300 nan 0.000 0.476 251 N N 0.402 118.940 118.700 -0.269 0.000 2.272 251 N HA -0.153 4.587 4.740 -0.001 0.000 0.185 251 N C 1.729 177.035 175.510 -0.340 0.000 1.014 251 N CA 1.387 54.170 53.050 -0.445 0.000 0.870 251 N CB -0.542 37.727 38.487 -0.362 0.000 0.975 251 N HN 0.462 nan 8.380 nan 0.000 0.433 252 A N -0.324 122.362 122.820 -0.223 0.000 2.169 252 A HA 0.061 4.381 4.320 -0.001 0.000 0.210 252 A C 1.987 179.475 177.584 -0.161 0.000 1.168 252 A CA 1.187 53.127 52.037 -0.162 0.000 0.813 252 A CB -0.015 18.930 19.000 -0.092 0.000 0.861 252 A HN 0.424 nan 8.150 nan 0.000 0.481 253 T N -3.985 110.450 114.554 -0.199 0.000 2.964 253 T HA 0.553 4.902 4.350 -0.001 0.000 0.249 253 T C 0.923 175.499 174.700 -0.206 0.000 1.000 253 T CA 0.583 62.590 62.100 -0.154 0.000 0.992 253 T CB -0.367 68.455 68.868 -0.076 0.000 1.087 253 T HN 0.518 nan 8.240 nan 0.000 0.489 254 A N 3.012 125.588 122.820 -0.408 0.000 2.425 254 A HA 0.591 4.911 4.320 -0.001 0.000 0.242 254 A C -2.478 174.919 177.584 -0.311 0.000 1.077 254 A CA -1.232 50.538 52.037 -0.446 0.000 0.781 254 A CB -0.451 nan 19.000 nan 0.000 1.020 254 A HN 0.275 nan 8.150 nan 0.000 0.494 255 P HA 0.108 nan 4.420 nan 0.000 0.267 255 P C -1.760 175.471 177.300 -0.116 0.000 1.205 255 P CA -1.002 62.042 63.100 -0.093 0.000 0.765 255 P CB 0.379 32.070 31.700 -0.015 0.000 0.828 256 P HA -0.270 nan 4.420 nan 0.000 0.217 256 P C 1.066 178.339 177.300 -0.045 0.000 1.148 256 P CA 2.181 65.219 63.100 -0.104 0.000 0.828 256 P CB -0.534 31.117 31.700 -0.080 0.000 0.783 257 D N 0.161 120.555 120.400 -0.011 0.000 2.144 257 D HA -0.147 4.492 4.640 -0.001 0.000 0.200 257 D C 2.054 178.402 176.300 0.080 0.000 0.978 257 D CA 1.166 55.184 54.000 0.029 0.000 0.833 257 D CB -0.909 39.909 40.800 0.029 0.000 0.961 257 D HN 0.096 nan 8.370 nan 0.000 0.470 258 L N -0.009 121.271 121.223 0.096 0.000 1.973 258 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 258 L C 2.442 179.450 176.870 0.230 0.000 1.073 258 L CA 2.301 57.274 54.840 0.222 0.000 0.746 258 L CB -0.654 41.562 42.059 0.261 0.000 0.891 258 L HN 0.226 nan 8.230 nan 0.000 0.433 259 R N 0.505 121.058 120.500 0.088 0.000 2.143 259 R HA -0.222 4.118 4.340 -0.001 0.000 0.239 259 R C 2.139 178.474 176.300 0.058 0.000 1.126 259 R CA 2.424 58.536 56.100 0.020 0.000 0.927 259 R CB -1.395 28.739 30.300 -0.276 0.000 0.860 259 R HN 0.525 nan 8.270 nan 0.000 0.433 260 A N 0.368 123.205 122.820 0.028 0.000 1.903 260 A HA -0.284 4.035 4.320 -0.001 0.000 0.219 260 A C 2.258 179.909 177.584 0.111 0.000 1.191 260 A CA 2.084 54.157 52.037 0.059 0.000 0.638 260 A CB -0.898 nan 19.000 nan 0.000 0.823 260 A HN 0.678 nan 8.150 nan 0.000 0.451 261 E N -0.550 119.735 120.200 0.142 0.000 2.077 261 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 261 E C 2.037 178.737 176.600 0.168 0.000 0.989 261 E CA 1.033 57.542 56.400 0.181 0.000 0.800 261 E CB -0.196 29.664 29.700 0.267 0.000 0.746 261 E HN 0.643 nan 8.360 nan 0.000 0.452 262 L N -0.005 121.301 121.223 0.138 0.000 2.012 262 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 262 L C 2.584 179.527 176.870 0.123 0.000 1.073 262 L CA 1.322 56.153 54.840 -0.015 0.000 0.748 262 L CB -0.769 41.366 42.059 0.127 0.000 0.891 262 L HN 0.318 nan 8.230 nan 0.000 0.431 263 G N -0.174 108.789 108.800 0.273 0.000 2.469 263 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.219 263 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.219 263 G C 1.848 176.916 174.900 0.280 0.000 1.150 263 G CA 1.604 46.912 45.100 0.347 0.000 0.763 263 G HN 0.424 nan 8.290 nan 0.000 0.561 264 K N 0.639 121.130 120.400 0.151 0.000 1.984 264 K HA -0.038 4.282 4.320 -0.001 0.000 0.209 264 K C 2.154 178.752 176.600 -0.003 0.000 1.046 264 K CA 1.770 58.108 56.287 0.085 0.000 0.934 264 K CB -1.127 nan 32.500 nan 0.000 0.717 264 K HN 0.253 nan 8.250 nan 0.000 0.438 265 D N 0.721 121.054 120.400 -0.112 0.000 2.123 265 D HA -0.107 4.532 4.640 -0.001 0.000 0.196 265 D C 1.903 177.897 176.300 -0.509 0.000 0.992 265 D CA 1.228 54.980 54.000 -0.414 0.000 0.833 265 D CB -0.151 40.227 40.800 -0.703 0.000 0.954 265 D HN 0.357 nan 8.370 nan 0.000 0.455 266 L N 0.366 121.412 121.223 -0.296 0.000 2.351 266 L HA -0.205 4.134 4.340 -0.001 0.000 0.220 266 L C 2.031 178.976 176.870 0.126 0.000 1.127 266 L CA 1.075 55.896 54.840 -0.032 0.000 0.786 266 L CB -0.227 41.855 42.059 0.038 0.000 0.914 266 L HN 0.083 nan 8.230 nan 0.000 0.443 267 Q N -1.154 118.683 119.800 0.061 0.000 2.319 267 Q HA 0.068 4.408 4.340 -0.001 0.000 0.209 267 Q C 0.097 176.104 176.000 0.012 0.000 0.884 267 Q CA -0.216 55.587 55.803 0.000 0.000 0.938 267 Q CB 0.627 29.305 28.738 -0.099 0.000 1.098 267 Q HN 0.354 nan 8.270 nan 0.000 0.517 268 E N 1.154 121.376 120.200 0.037 0.000 2.398 268 E HA -0.000 4.350 4.350 -0.001 0.000 0.263 268 E C -1.826 174.847 176.600 0.122 0.000 1.046 268 E CA -1.674 54.777 56.400 0.084 0.000 0.908 268 E CB 0.456 30.233 29.700 0.128 0.000 0.963 268 E HN -0.049 nan 8.360 nan 0.000 0.431 269 P HA -0.220 nan 4.420 nan 0.000 0.216 269 P C 1.192 178.509 177.300 0.028 0.000 1.154 269 P CA 2.521 65.645 63.100 0.039 0.000 0.865 269 P CB 0.218 31.932 31.700 0.023 0.000 0.789 270 E N -1.669 118.571 120.200 0.067 0.000 2.265 270 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 270 E C 1.546 178.018 176.600 -0.214 0.000 0.996 270 E CA 1.172 57.543 56.400 -0.049 0.000 0.832 270 E CB -1.582 28.100 29.700 -0.029 0.000 0.756 270 E HN 0.273 nan 8.360 nan 0.000 0.491 271 F N -0.298 119.562 119.950 -0.150 0.000 2.453 271 F HA 0.328 4.855 4.527 -0.001 0.000 0.284 271 F C 1.077 176.652 175.800 -0.375 0.000 1.065 271 F CA 0.627 58.469 58.000 -0.263 0.000 1.411 271 F CB 0.769 39.723 39.000 -0.077 0.000 1.131 271 F HN 0.028 nan 8.300 nan 0.000 0.582 272 S N -1.212 114.501 115.700 0.022 0.000 2.651 272 S HA 0.821 5.291 4.470 -0.001 0.000 0.279 272 S C -1.019 173.569 174.600 -0.020 0.000 1.148 272 S CA -0.780 57.402 58.200 -0.029 0.000 0.837 272 S CB 1.784 65.032 63.200 0.080 0.000 1.138 272 S HN 0.116 nan 8.310 nan 0.000 0.478 273 A N 1.231 124.038 122.820 -0.022 0.000 2.350 273 A HA 0.755 5.074 4.320 -0.001 0.000 0.324 273 A C -1.007 176.567 177.584 -0.016 0.000 1.118 273 A CA -0.798 51.227 52.037 -0.020 0.000 0.783 273 A CB 0.822 19.809 19.000 -0.021 0.000 1.236 273 A HN 0.642 nan 8.150 nan 0.000 0.457 274 K N 1.191 121.576 120.400 -0.025 0.000 2.339 274 K HA 0.667 4.986 4.320 -0.001 0.000 0.264 274 K C -0.405 176.179 176.600 -0.026 0.000 0.986 274 K CA -0.377 55.888 56.287 -0.036 0.000 0.866 274 K CB 1.655 34.120 32.500 -0.059 0.000 1.103 274 K HN 0.799 nan 8.250 nan 0.000 0.441 275 K N 0.974 121.363 120.400 -0.020 0.000 2.557 275 K HA 0.548 4.868 4.320 -0.001 0.000 0.257 275 K C -0.030 176.564 176.600 -0.010 0.000 0.933 275 K CA -0.181 56.098 56.287 -0.013 0.000 0.820 275 K CB 0.777 nan 32.500 nan 0.000 1.330 275 K HN 0.733 nan 8.250 nan 0.000 0.432 276 E N -0.252 119.942 120.200 -0.010 0.000 2.340 276 E HA 0.130 4.479 4.350 -0.001 0.000 0.240 276 E C 1.840 178.436 176.600 -0.008 0.000 1.154 276 E CA 1.828 58.224 56.400 -0.007 0.000 0.717 276 E CB -2.620 nan 29.700 nan 0.000 1.250 276 E HN 2.819 nan 8.360 nan 0.000 0.386 277 G N -1.220 107.571 108.800 -0.016 0.000 2.244 277 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.274 277 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.274 277 G C 0.392 175.280 174.900 -0.020 0.000 1.002 277 G CA 1.293 46.380 45.100 -0.022 0.000 0.740 277 G HN 1.080 nan 8.290 nan 0.000 0.516 278 K N -0.849 119.542 120.400 -0.015 0.000 2.267 278 K HA 0.635 4.954 4.320 -0.001 0.000 0.246 278 K C -0.439 176.154 176.600 -0.012 0.000 0.954 278 K CA -0.948 55.339 56.287 -0.001 0.000 0.824 278 K CB 2.755 35.266 32.500 0.019 0.000 1.167 278 K HN -0.022 nan 8.250 nan 0.000 0.431 279 V N 3.959 123.879 119.914 0.009 0.000 2.334 279 V HA 0.299 4.418 4.120 -0.001 0.000 0.281 279 V C -0.567 175.574 176.094 0.077 0.000 1.016 279 V CA -0.734 61.576 62.300 0.017 0.000 0.832 279 V CB 0.712 32.543 31.823 0.013 0.000 0.999 279 V HN 0.535 nan 8.190 nan 0.000 0.439 280 L N 5.670 126.930 121.223 0.061 0.000 2.295 280 L HA 0.476 4.815 4.340 -0.001 0.000 0.281 280 L C -0.233 176.691 176.870 0.091 0.000 1.018 280 L CA -0.441 54.449 54.840 0.083 0.000 0.841 280 L CB 1.065 43.154 42.059 0.051 0.000 1.218 280 L HN 0.519 nan 8.230 nan 0.000 0.424 281 F N 3.902 123.838 119.950 -0.024 0.000 2.578 281 F HA 0.003 4.529 4.527 -0.001 0.000 0.381 281 F C 1.114 176.873 175.800 -0.067 0.000 1.069 281 F CA -0.015 57.935 58.000 -0.083 0.000 1.231 281 F CB 0.370 39.267 39.000 -0.173 0.000 1.086 281 F HN 0.482 nan 8.300 nan 0.000 0.564 282 N N 5.023 123.303 118.700 -0.700 0.000 2.406 282 N HA -0.097 4.642 4.740 -0.001 0.000 0.274 282 N C -0.266 175.027 175.510 -0.363 0.000 1.249 282 N CA 0.263 53.047 53.050 -0.444 0.000 0.951 282 N CB -0.285 37.938 38.487 -0.441 0.000 1.241 282 N HN 0.697 nan 8.380 nan 0.000 0.485 283 N N 2.224 120.958 118.700 0.057 0.000 2.376 283 N HA 0.085 4.824 4.740 -0.001 0.000 0.249 283 N C -0.813 174.872 175.510 0.292 0.000 1.140 283 N CA -0.321 52.956 53.050 0.378 0.000 0.870 283 N CB 0.152 38.986 38.487 0.578 0.000 1.124 283 N HN 0.282 nan 8.380 nan 0.000 0.505 284 T N 0.971 115.616 114.554 0.152 0.000 2.923 284 T HA 0.026 4.375 4.350 -0.001 0.000 0.304 284 T C 0.219 175.018 174.700 0.166 0.000 1.044 284 T CA 0.443 62.628 62.100 0.143 0.000 1.141 284 T CB 0.357 69.273 68.868 0.080 0.000 1.023 284 T HN 0.149 nan 8.240 nan 0.000 0.533 285 L N 2.293 123.615 121.223 0.165 0.000 2.334 285 L HA 0.501 4.840 4.340 -0.001 0.000 0.273 285 L C 0.282 177.165 176.870 0.022 0.000 1.013 285 L CA -0.812 54.054 54.840 0.042 0.000 0.816 285 L CB 1.985 44.006 42.059 -0.063 0.000 1.278 285 L HN 0.543 nan 8.230 nan 0.000 0.431 286 S N 1.513 117.130 115.700 -0.137 0.000 2.454 286 S HA 0.638 5.108 4.470 -0.001 0.000 0.306 286 S C -0.904 173.526 174.600 -0.285 0.000 1.100 286 S CA -0.417 57.759 58.200 -0.040 0.000 1.087 286 S CB 0.863 64.064 63.200 0.001 0.000 1.019 286 S HN 0.216 nan 8.310 nan 0.000 0.480 287 F N 2.682 122.617 119.950 -0.025 0.000 2.402 287 F HA 0.534 5.060 4.527 -0.001 0.000 0.355 287 F C 0.046 175.924 175.800 0.131 0.000 1.123 287 F CA -0.756 57.185 58.000 -0.099 0.000 1.021 287 F CB 0.612 39.291 39.000 -0.535 0.000 1.160 287 F HN 0.325 nan 8.300 nan 0.000 0.451 288 I N 4.215 124.896 120.570 0.186 0.000 2.362 288 I HA 0.411 4.580 4.170 -0.001 0.000 0.289 288 I C -0.867 175.398 176.117 0.247 0.000 0.994 288 I CA -0.902 60.505 61.300 0.179 0.000 1.158 288 I CB 1.696 39.707 38.000 0.020 0.000 1.315 288 I HN 0.174 nan 8.210 nan 0.000 0.451 289 V N 7.704 127.815 119.914 0.328 0.000 2.357 289 V HA 0.433 4.552 4.120 -0.001 0.000 0.284 289 V C 0.100 176.372 176.094 0.296 0.000 1.018 289 V CA -0.404 62.105 62.300 0.348 0.000 0.841 289 V CB 1.535 33.630 31.823 0.454 0.000 0.991 289 V HN 0.481 nan 8.190 nan 0.000 0.437 290 I N 4.498 125.221 120.570 0.254 0.000 2.359 290 I HA 0.427 4.596 4.170 -0.001 0.000 0.294 290 I C 0.174 176.441 176.117 0.249 0.000 0.987 290 I CA -0.596 60.857 61.300 0.255 0.000 1.225 290 I CB 1.464 39.594 38.000 0.216 0.000 1.366 290 I HN 0.482 nan 8.210 nan 0.000 0.466 291 E N 4.281 124.626 120.200 0.242 0.000 2.313 291 E HA 0.465 4.815 4.350 -0.001 0.000 0.272 291 E C 0.017 176.761 176.600 0.240 0.000 1.038 291 E CA -0.453 56.072 56.400 0.210 0.000 0.863 291 E CB 1.534 31.334 29.700 0.166 0.000 1.060 291 E HN 0.663 nan 8.360 nan 0.000 0.402 292 A N 0.000 122.904 122.820 0.140 0.000 2.254 292 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 292 A CA 0.000 52.048 52.037 0.019 0.000 0.836 292 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 292 A HN 0.000 nan 8.150 nan 0.000 0.486