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 1oqv_1_A DATA FIRST_RESID 29 DATA SEQUENCE DSQNMTKAAQ SLNSIQVALT QTYRGLGNYP ATADATAASK LTSGLVSLGK DATA SEQUENCE ISSDEAKNPF IGTNMNIFSF PRNAAANKAF AISVDGLTQA QcKTLITSVG DATA SEQUENCE DMFPYIAIKA GGAVALADLG DFENSAAAAE TGVGVIKSIA PASKNLDLTN DATA SEQUENCE ITHVEKLcKG TAPFGVAFGN S 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 29 D HA 0.000 nan 4.640 nan 0.000 0.175 29 D C 0.000 176.318 176.300 0.030 0.000 2.045 29 D CA 0.000 54.011 54.000 0.019 0.000 0.868 29 D CB 0.000 40.807 40.800 0.012 0.000 0.688 30 S N 0.469 116.195 115.700 0.043 0.000 2.573 30 S HA 0.106 4.576 4.470 0.000 0.000 0.277 30 S C 1.292 175.907 174.600 0.026 0.000 1.346 30 S CA -0.143 58.082 58.200 0.043 0.000 1.034 30 S CB 1.367 64.608 63.200 0.068 0.000 0.879 30 S HN 0.020 nan 8.310 nan 0.000 0.528 31 Q N 1.676 121.481 119.800 0.007 0.000 2.124 31 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 31 Q C 1.639 177.607 176.000 -0.053 0.000 0.977 31 Q CA 1.648 57.440 55.803 -0.018 0.000 0.850 31 Q CB -0.402 28.322 28.738 -0.024 0.000 0.901 31 Q HN 0.691 nan 8.270 nan 0.000 0.429 32 N N -0.516 118.137 118.700 -0.078 0.000 2.216 32 N HA -0.028 4.712 4.740 0.000 0.000 0.183 32 N C 1.409 176.818 175.510 -0.169 0.000 1.017 32 N CA 0.942 53.846 53.050 -0.243 0.000 0.861 32 N CB -0.047 38.192 38.487 -0.413 0.000 0.986 32 N HN 0.224 nan 8.380 nan 0.000 0.428 33 M N 0.409 120.042 119.600 0.056 0.000 2.132 33 M HA -0.032 4.448 4.480 0.000 0.000 0.263 33 M C 1.774 178.109 176.300 0.059 0.000 1.065 33 M CA 1.202 56.590 55.300 0.147 0.000 1.122 33 M CB -1.390 31.302 32.600 0.154 0.000 1.365 33 M HN 0.056 nan 8.290 nan 0.000 0.411 34 T N 0.339 114.906 114.554 0.022 0.000 2.746 34 T HA -0.155 4.195 4.350 0.000 0.000 0.267 34 T C 1.861 176.556 174.700 -0.008 0.000 1.039 34 T CA 1.651 63.756 62.100 0.009 0.000 1.142 34 T CB -0.135 68.735 68.868 0.003 0.000 0.866 34 T HN 0.170 nan 8.240 nan 0.000 0.444 35 K N 1.844 122.221 120.400 -0.038 0.000 2.057 35 K HA 0.134 4.454 4.320 0.000 0.000 0.206 35 K C 2.255 178.830 176.600 -0.041 0.000 1.050 35 K CA 1.417 57.673 56.287 -0.053 0.000 0.935 35 K CB -0.770 31.673 32.500 -0.095 0.000 0.715 35 K HN 0.224 nan 8.250 nan 0.000 0.439 36 A N 0.691 123.483 122.820 -0.046 0.000 1.908 36 A HA -0.073 4.247 4.320 0.000 0.000 0.218 36 A C 2.402 180.004 177.584 0.030 0.000 1.181 36 A CA 2.112 54.161 52.037 0.019 0.000 0.627 36 A CB -1.154 17.931 19.000 0.143 0.000 0.818 36 A HN 0.448 nan 8.150 nan 0.000 0.445 37 A N -0.716 122.119 122.820 0.024 0.000 1.883 37 A HA -0.241 4.079 4.320 0.000 0.000 0.217 37 A C 2.145 179.743 177.584 0.024 0.000 1.186 37 A CA 1.749 53.797 52.037 0.017 0.000 0.624 37 A CB -0.623 18.387 19.000 0.016 0.000 0.822 37 A HN 0.665 nan 8.150 nan 0.000 0.444 38 Q N -0.417 119.392 119.800 0.015 0.000 2.050 38 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 38 Q C 2.509 178.524 176.000 0.025 0.000 0.980 38 Q CA 1.797 57.608 55.803 0.013 0.000 0.840 38 Q CB -0.224 28.516 28.738 0.003 0.000 0.898 38 Q HN 0.659 nan 8.270 nan 0.000 0.424 39 S N 1.006 116.722 115.700 0.027 0.000 2.355 39 S HA -0.087 4.383 4.470 0.000 0.000 0.222 39 S C 2.000 176.648 174.600 0.080 0.000 1.031 39 S CA 0.857 59.081 58.200 0.041 0.000 0.993 39 S CB -0.226 62.993 63.200 0.031 0.000 0.859 39 S HN 0.241 nan 8.310 nan 0.000 0.453 40 L N 1.940 123.225 121.223 0.104 0.000 2.046 40 L HA -0.165 4.175 4.340 0.000 0.000 0.208 40 L C 2.505 179.527 176.870 0.253 0.000 1.077 40 L CA 1.141 56.104 54.840 0.205 0.000 0.747 40 L CB -0.624 41.540 42.059 0.176 0.000 0.896 40 L HN 0.439 nan 8.230 nan 0.000 0.432 41 N N -0.507 118.270 118.700 0.127 0.000 2.084 41 N HA -0.191 4.549 4.740 0.000 0.000 0.190 41 N C 1.920 177.462 175.510 0.054 0.000 1.030 41 N CA 1.675 54.752 53.050 0.045 0.000 0.849 41 N CB 0.131 38.617 38.487 -0.003 0.000 1.012 41 N HN 0.213 nan 8.380 nan 0.000 0.423 42 S N 0.879 116.609 115.700 0.051 0.000 2.370 42 S HA -0.077 4.393 4.470 0.000 0.000 0.226 42 S C 2.026 176.654 174.600 0.047 0.000 1.033 42 S CA 0.859 59.081 58.200 0.038 0.000 1.011 42 S CB -0.163 63.053 63.200 0.028 0.000 0.852 42 S HN 0.317 nan 8.310 nan 0.000 0.457 43 I N 1.869 122.483 120.570 0.073 0.000 2.252 43 I HA -0.255 3.915 4.170 0.000 0.000 0.245 43 I C 2.804 178.951 176.117 0.049 0.000 1.102 43 I CA 1.412 62.748 61.300 0.060 0.000 1.385 43 I CB -0.507 37.547 38.000 0.089 0.000 1.064 43 I HN 0.441 nan 8.210 nan 0.000 0.414 44 Q N 0.708 120.605 119.800 0.161 0.000 2.172 44 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 44 Q C 2.098 178.174 176.000 0.127 0.000 0.964 44 Q CA 1.349 57.281 55.803 0.214 0.000 0.855 44 Q CB -0.506 28.516 28.738 0.474 0.000 0.918 44 Q HN 0.305 nan 8.270 nan 0.000 0.444 45 V N 1.713 121.674 119.914 0.078 0.000 2.343 45 V HA -0.274 3.846 4.120 0.000 0.000 0.247 45 V C 2.597 178.714 176.094 0.037 0.000 1.051 45 V CA 1.850 64.183 62.300 0.055 0.000 1.036 45 V CB -1.062 30.779 31.823 0.029 0.000 0.654 45 V HN 0.583 nan 8.190 nan 0.000 0.451 46 A N -0.280 122.549 122.820 0.015 0.000 1.902 46 A HA -0.160 4.160 4.320 0.000 0.000 0.217 46 A C 2.222 179.807 177.584 0.001 0.000 1.181 46 A CA 1.843 53.879 52.037 -0.003 0.000 0.623 46 A CB -0.533 18.464 19.000 -0.005 0.000 0.818 46 A HN 0.498 nan 8.150 nan 0.000 0.443 47 L N -0.190 121.013 121.223 -0.033 0.000 2.027 47 L HA -0.166 4.174 4.340 0.000 0.000 0.206 47 L C 3.069 180.082 176.870 0.238 0.000 1.074 47 L CA 1.876 56.724 54.840 0.013 0.000 0.745 47 L CB -0.868 40.823 42.059 -0.614 0.000 0.898 47 L HN 0.659 nan 8.230 nan 0.000 0.433 48 T N -3.749 110.930 114.554 0.208 0.000 2.777 48 T HA -0.181 4.169 4.350 0.000 0.000 0.266 48 T C 1.854 176.643 174.700 0.148 0.000 1.040 48 T CA 0.679 62.964 62.100 0.309 0.000 1.141 48 T CB -0.282 68.763 68.868 0.296 0.000 0.868 48 T HN 0.231 nan 8.240 nan 0.000 0.444 49 Q N 0.759 120.600 119.800 0.069 0.000 2.135 49 Q HA -0.085 4.255 4.340 0.000 0.000 0.204 49 Q C 2.551 178.513 176.000 -0.064 0.000 0.981 49 Q CA 1.941 57.746 55.803 0.004 0.000 0.856 49 Q CB -0.762 27.969 28.738 -0.011 0.000 0.902 49 Q HN 0.605 nan 8.270 nan 0.000 0.425 50 T N -0.482 113.998 114.554 -0.124 0.000 2.851 50 T HA -0.066 4.284 4.350 0.000 0.000 0.262 50 T C 1.182 175.590 174.700 -0.487 0.000 1.043 50 T CA 1.058 62.937 62.100 -0.367 0.000 1.140 50 T CB -0.126 68.397 68.868 -0.575 0.000 0.872 50 T HN 0.326 nan 8.240 nan 0.000 0.446 51 Y N -0.084 120.186 120.300 -0.049 0.000 2.444 51 Y HA 0.364 4.914 4.550 0.000 0.000 0.252 51 Y C 2.411 178.140 175.900 -0.286 0.000 1.091 51 Y CA -0.589 57.398 58.100 -0.188 0.000 1.276 51 Y CB 0.283 38.557 38.460 -0.310 0.000 1.170 51 Y HN -0.077 nan 8.280 nan 0.000 0.517 52 R N 0.044 120.517 120.500 -0.046 0.000 2.105 52 R HA -0.121 4.219 4.340 0.000 0.000 0.239 52 R C 2.203 178.464 176.300 -0.065 0.000 1.135 52 R CA 1.436 57.497 56.100 -0.065 0.000 0.967 52 R CB -0.566 29.751 30.300 0.029 0.000 0.861 52 R HN 0.349 nan 8.270 nan 0.000 0.442 53 G N -0.226 108.543 108.800 -0.052 0.000 2.920 53 G HA2 -0.019 3.941 3.960 0.000 0.000 0.208 53 G HA3 -0.019 3.941 3.960 0.000 0.000 0.208 53 G C 1.086 175.958 174.900 -0.046 0.000 1.159 53 G CA -0.101 44.972 45.100 -0.045 0.000 0.784 53 G HN 0.144 nan 8.290 nan 0.000 0.535 54 L N -0.312 120.881 121.223 -0.050 0.000 2.640 54 L HA 0.279 4.619 4.340 0.000 0.000 0.230 54 L C 2.093 178.940 176.870 -0.038 0.000 1.123 54 L CA 0.468 55.294 54.840 -0.023 0.000 0.900 54 L CB 0.245 42.324 42.059 0.033 0.000 1.146 54 L HN 0.322 nan 8.230 nan 0.000 0.484 55 G N 1.145 109.899 108.800 -0.077 0.000 2.363 55 G HA2 -0.295 3.665 3.960 0.000 0.000 0.238 55 G HA3 -0.295 3.665 3.960 0.000 0.000 0.238 55 G C 0.211 175.035 174.900 -0.128 0.000 1.062 55 G CA 0.353 45.404 45.100 -0.082 0.000 0.629 55 G HN 0.532 nan 8.290 nan 0.000 0.514 56 N N -0.887 117.715 118.700 -0.164 0.000 2.610 56 N HA 0.528 5.268 4.740 0.000 0.000 0.264 56 N C -1.039 174.254 175.510 -0.362 0.000 1.348 56 N CA -0.842 52.087 53.050 -0.202 0.000 0.819 56 N CB 1.131 39.571 38.487 -0.078 0.000 1.521 56 N HN 0.150 nan 8.380 nan 0.000 0.497 57 Y N -0.438 119.795 120.300 -0.112 0.000 2.307 57 Y HA 0.386 4.936 4.550 -0.000 0.000 0.324 57 Y C -1.862 173.843 175.900 -0.325 0.000 1.238 57 Y CA -1.681 56.216 58.100 -0.338 0.000 1.280 57 Y CB 0.600 38.971 38.460 -0.148 0.000 1.248 57 Y HN 0.330 nan 8.280 nan 0.000 0.508 58 P HA 0.053 nan 4.420 nan 0.000 0.268 58 P C -0.915 176.356 177.300 -0.049 0.000 1.204 58 P CA -0.090 62.908 63.100 -0.170 0.000 0.768 58 P CB 0.479 32.062 31.700 -0.194 0.000 0.842 59 A N 3.184 125.995 122.820 -0.016 0.000 2.498 59 A HA 0.443 4.763 4.320 0.000 0.000 0.239 59 A C 0.401 177.998 177.584 0.022 0.000 1.068 59 A CA 0.500 52.550 52.037 0.021 0.000 0.766 59 A CB -0.503 18.510 19.000 0.021 0.000 1.003 59 A HN 0.599 nan 8.150 nan 0.000 0.497 60 T N -0.611 113.979 114.554 0.059 0.000 3.008 60 T HA 0.572 4.922 4.350 0.000 0.000 0.328 60 T C 0.410 175.175 174.700 0.108 0.000 1.020 60 T CA 0.060 62.190 62.100 0.049 0.000 1.043 60 T CB 1.059 69.928 68.868 0.002 0.000 1.010 60 T HN 1.231 nan 8.240 nan 0.000 0.466 61 A N 3.178 126.043 122.820 0.074 0.000 2.066 61 A HA 0.350 4.670 4.320 0.000 0.000 0.218 61 A C 0.831 178.488 177.584 0.121 0.000 1.157 61 A CA 1.284 53.374 52.037 0.087 0.000 0.670 61 A CB -0.573 18.460 19.000 0.054 0.000 0.804 61 A HN 1.007 nan 8.150 nan 0.000 0.453 62 D N -5.076 115.401 120.400 0.128 0.000 2.713 62 D HA 0.481 5.121 4.640 0.000 0.000 0.306 62 D C 0.423 176.792 176.300 0.116 0.000 1.299 62 D CA 0.016 54.116 54.000 0.167 0.000 0.823 62 D CB 0.558 41.413 40.800 0.090 0.000 1.353 62 D HN 0.023 nan 8.370 nan 0.000 0.447 63 A N -0.555 122.355 122.820 0.149 0.000 1.969 63 A HA -0.023 4.297 4.320 0.000 0.000 0.218 63 A C 1.841 179.360 177.584 -0.108 0.000 1.169 63 A CA 2.112 54.143 52.037 -0.010 0.000 0.635 63 A CB -1.196 17.896 19.000 0.154 0.000 0.810 63 A HN 0.588 nan 8.150 nan 0.000 0.445 64 T N 0.387 114.918 114.554 -0.038 0.000 2.720 64 T HA -0.073 4.277 4.350 0.000 0.000 0.268 64 T C 2.202 176.856 174.700 -0.076 0.000 1.037 64 T CA 1.656 63.729 62.100 -0.046 0.000 1.144 64 T CB -0.392 68.467 68.868 -0.016 0.000 0.864 64 T HN 0.593 nan 8.240 nan 0.000 0.444 65 A N 1.229 124.002 122.820 -0.078 0.000 1.930 65 A HA 0.260 4.580 4.320 0.000 0.000 0.217 65 A C 2.622 180.111 177.584 -0.158 0.000 1.175 65 A CA 1.622 53.608 52.037 -0.085 0.000 0.627 65 A CB -0.967 18.006 19.000 -0.046 0.000 0.815 65 A HN 0.497 nan 8.150 nan 0.000 0.443 66 A N 0.438 123.074 122.820 -0.308 0.000 1.933 66 A HA -0.101 4.219 4.320 0.000 0.000 0.218 66 A C 2.522 179.931 177.584 -0.292 0.000 1.175 66 A CA 2.310 54.058 52.037 -0.481 0.000 0.628 66 A CB -0.916 17.340 19.000 -1.239 0.000 0.814 66 A HN 0.976 nan 8.150 nan 0.000 0.444 67 S N -0.076 115.495 115.700 -0.216 0.000 2.383 67 S HA -0.155 4.315 4.470 0.000 0.000 0.227 67 S C 1.840 176.392 174.600 -0.080 0.000 1.026 67 S CA 1.461 59.589 58.200 -0.120 0.000 0.981 67 S CB -0.360 62.792 63.200 -0.080 0.000 0.818 67 S HN 0.591 nan 8.310 nan 0.000 0.472 68 K N 0.483 120.837 120.400 -0.076 0.000 2.148 68 K HA 0.101 4.421 4.320 0.000 0.000 0.204 68 K C 2.057 178.632 176.600 -0.042 0.000 1.050 68 K CA 0.989 57.247 56.287 -0.048 0.000 0.942 68 K CB -0.386 32.091 32.500 -0.038 0.000 0.724 68 K HN 0.303 nan 8.250 nan 0.000 0.446 69 L N 1.287 122.472 121.223 -0.064 0.000 2.017 69 L HA -0.165 4.175 4.340 0.000 0.000 0.208 69 L C 1.926 178.779 176.870 -0.029 0.000 1.073 69 L CA 1.986 56.797 54.840 -0.047 0.000 0.745 69 L CB -0.885 41.129 42.059 -0.075 0.000 0.894 69 L HN 0.075 nan 8.230 nan 0.000 0.432 70 T N -1.309 113.218 114.554 -0.045 0.000 2.684 70 T HA -0.211 4.139 4.350 0.000 0.000 0.267 70 T C 2.078 176.773 174.700 -0.008 0.000 1.036 70 T CA 1.702 63.789 62.100 -0.022 0.000 1.148 70 T CB -0.500 68.353 68.868 -0.025 0.000 0.863 70 T HN 0.477 nan 8.240 nan 0.000 0.436 71 S N 0.484 116.175 115.700 -0.014 0.000 2.382 71 S HA -0.055 4.415 4.470 0.000 0.000 0.228 71 S C 2.360 176.961 174.600 0.001 0.000 1.027 71 S CA 1.642 59.838 58.200 -0.007 0.000 0.991 71 S CB -0.858 62.336 63.200 -0.010 0.000 0.823 71 S HN 0.600 nan 8.310 nan 0.000 0.469 72 G N 1.374 110.176 108.800 0.003 0.000 2.418 72 G HA2 -0.106 3.855 3.960 0.000 0.000 0.217 72 G HA3 -0.106 3.855 3.960 0.000 0.000 0.217 72 G C 1.407 176.321 174.900 0.024 0.000 1.158 72 G CA 0.878 45.986 45.100 0.014 0.000 0.771 72 G HN 0.524 nan 8.290 nan 0.000 0.545 73 L N 0.237 121.477 121.223 0.030 0.000 2.093 73 L HA -0.048 4.293 4.340 0.000 0.000 0.208 73 L C 2.973 179.853 176.870 0.018 0.000 1.085 73 L CA 0.211 55.073 54.840 0.036 0.000 0.755 73 L CB -0.361 41.727 42.059 0.048 0.000 0.904 73 L HN 0.077 nan 8.230 nan 0.000 0.435 74 V N -0.188 119.733 119.914 0.012 0.000 2.332 74 V HA -0.296 3.824 4.120 0.000 0.000 0.248 74 V C 2.689 178.785 176.094 0.005 0.000 1.055 74 V CA 2.105 64.409 62.300 0.007 0.000 1.038 74 V CB -0.643 31.183 31.823 0.005 0.000 0.651 74 V HN 0.666 nan 8.190 nan 0.000 0.450 75 S N -0.265 115.438 115.700 0.006 0.000 2.447 75 S HA -0.031 4.439 4.470 0.000 0.000 0.233 75 S C 1.701 176.303 174.600 0.003 0.000 1.006 75 S CA 1.112 59.315 58.200 0.004 0.000 0.957 75 S CB -0.486 62.716 63.200 0.004 0.000 0.773 75 S HN 0.567 nan 8.310 nan 0.000 0.507 76 L N 0.797 122.023 121.223 0.004 0.000 2.591 76 L HA 0.312 4.652 4.340 0.000 0.000 0.228 76 L C 1.873 178.738 176.870 -0.007 0.000 1.133 76 L CA 0.330 55.169 54.840 -0.002 0.000 0.880 76 L CB -0.782 41.276 42.059 -0.001 0.000 1.033 76 L HN 0.583 nan 8.230 nan 0.000 0.450 77 G N 0.243 109.041 108.800 -0.004 0.000 2.153 77 G HA2 -0.283 3.677 3.960 0.000 0.000 0.252 77 G HA3 -0.283 3.677 3.960 0.000 0.000 0.252 77 G C 1.107 176.001 174.900 -0.009 0.000 0.994 77 G CA 0.324 45.420 45.100 -0.007 0.000 0.698 77 G HN 0.196 nan 8.290 nan 0.000 0.521 78 K N -0.330 120.065 120.400 -0.009 0.000 2.167 78 K HA 0.198 4.518 4.320 0.000 0.000 0.203 78 K C 1.542 178.139 176.600 -0.005 0.000 1.052 78 K CA 1.480 57.759 56.287 -0.013 0.000 0.956 78 K CB 0.029 32.519 32.500 -0.015 0.000 0.735 78 K HN 0.898 nan 8.250 nan 0.000 0.451 79 I N -1.917 118.654 120.570 0.002 0.000 2.730 79 I HA 0.312 4.482 4.170 0.000 0.000 0.298 79 I C -0.003 176.117 176.117 0.004 0.000 1.089 79 I CA -1.103 60.201 61.300 0.006 0.000 1.041 79 I CB 2.250 40.257 38.000 0.012 0.000 1.235 79 I HN -0.183 nan 8.210 nan 0.000 0.423 80 S N 2.715 118.418 115.700 0.004 0.000 2.632 80 S HA 0.214 4.684 4.470 0.000 0.000 0.267 80 S C 1.061 175.663 174.600 0.003 0.000 1.276 80 S CA 0.085 58.286 58.200 0.002 0.000 0.998 80 S CB 1.601 64.802 63.200 0.000 0.000 0.953 80 S HN 0.801 nan 8.310 nan 0.000 0.547 81 S N 0.375 116.075 115.700 0.001 0.000 2.374 81 S HA -0.207 4.263 4.470 0.000 0.000 0.227 81 S C 1.492 176.092 174.600 0.001 0.000 1.037 81 S CA 2.037 60.238 58.200 0.001 0.000 1.024 81 S CB -0.939 62.261 63.200 -0.000 0.000 0.861 81 S HN 0.904 nan 8.310 nan 0.000 0.456 82 D N 0.242 120.641 120.400 -0.002 0.000 2.144 82 D HA -0.067 4.573 4.640 0.000 0.000 0.200 82 D C 2.000 178.298 176.300 -0.004 0.000 0.978 82 D CA 1.223 55.220 54.000 -0.006 0.000 0.833 82 D CB -0.151 40.644 40.800 -0.009 0.000 0.961 82 D HN 0.546 nan 8.370 nan 0.000 0.470 83 E N -0.272 119.929 120.200 0.003 0.000 2.150 83 E HA -0.097 4.253 4.350 0.000 0.000 0.193 83 E C 2.005 178.616 176.600 0.020 0.000 0.985 83 E CA 0.869 57.276 56.400 0.011 0.000 0.814 83 E CB -0.093 29.616 29.700 0.015 0.000 0.752 83 E HN 0.338 nan 8.360 nan 0.000 0.466 84 A N 1.175 124.005 122.820 0.018 0.000 2.066 84 A HA -0.071 4.249 4.320 0.000 0.000 0.218 84 A C 0.855 178.456 177.584 0.027 0.000 1.157 84 A CA 0.546 52.597 52.037 0.024 0.000 0.670 84 A CB 0.043 19.052 19.000 0.016 0.000 0.804 84 A HN -0.087 nan 8.150 nan 0.000 0.453 85 K N 1.899 122.309 120.400 0.016 0.000 2.412 85 K HA 0.033 4.353 4.320 0.000 0.000 0.281 85 K C -0.238 176.374 176.600 0.020 0.000 1.027 85 K CA -0.355 55.940 56.287 0.014 0.000 0.989 85 K CB 0.101 32.599 32.500 -0.004 0.000 0.935 85 K HN 0.342 nan 8.250 nan 0.000 0.475 86 N N 5.141 123.869 118.700 0.047 0.000 2.427 86 N HA 0.012 4.752 4.740 0.000 0.000 0.269 86 N C -1.798 173.712 175.510 -0.000 0.000 1.235 86 N CA -1.525 51.575 53.050 0.083 0.000 0.934 86 N CB 0.832 39.406 38.487 0.144 0.000 1.121 86 N HN 0.194 nan 8.380 nan 0.000 0.480 87 P HA -0.026 nan 4.420 nan 0.000 0.226 87 P C 0.734 177.802 177.300 -0.385 0.000 1.153 87 P CA 0.974 63.880 63.100 -0.323 0.000 0.777 87 P CB -0.022 31.376 31.700 -0.503 0.000 0.794 88 F N -0.095 119.878 119.950 0.039 0.000 2.512 88 F HA 0.121 4.648 4.527 0.000 0.000 0.296 88 F C 2.159 177.980 175.800 0.036 0.000 1.110 88 F CA 0.644 58.668 58.000 0.039 0.000 1.446 88 F CB -0.399 38.631 39.000 0.049 0.000 1.092 88 F HN -0.123 nan 8.300 nan 0.000 0.554 89 I N -4.775 115.898 120.570 0.173 0.000 4.655 89 I HA 0.563 4.733 4.170 0.000 0.000 0.333 89 I C 1.414 177.569 176.117 0.063 0.000 1.312 89 I CA 0.579 61.949 61.300 0.116 0.000 1.270 89 I CB 0.735 38.808 38.000 0.122 0.000 1.318 89 I HN 0.074 nan 8.210 nan 0.000 0.456 90 G N 2.445 111.269 108.800 0.041 0.000 2.176 90 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 90 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 90 G C 0.276 175.189 174.900 0.021 0.000 0.979 90 G CA 0.448 45.559 45.100 0.019 0.000 0.641 90 G HN 0.759 nan 8.290 nan 0.000 0.530 91 T N -1.591 112.983 114.554 0.034 0.000 2.942 91 T HA 0.652 5.002 4.350 0.000 0.000 0.289 91 T C -0.069 174.651 174.700 0.034 0.000 1.044 91 T CA -0.755 61.362 62.100 0.029 0.000 1.023 91 T CB 1.650 70.536 68.868 0.030 0.000 1.123 91 T HN 0.093 nan 8.240 nan 0.000 0.512 92 N N 1.237 119.952 118.700 0.024 0.000 2.412 92 N HA 0.155 4.895 4.740 0.000 0.000 0.254 92 N C -0.124 175.408 175.510 0.037 0.000 1.232 92 N CA 0.138 53.203 53.050 0.025 0.000 0.880 92 N CB -0.059 38.433 38.487 0.009 0.000 1.076 92 N HN 0.627 nan 8.380 nan 0.000 0.458 93 M N 1.816 121.447 119.600 0.052 0.000 2.228 93 M HA 0.099 4.579 4.480 0.000 0.000 0.351 93 M C 0.309 176.632 176.300 0.038 0.000 1.233 93 M CA -0.198 55.146 55.300 0.072 0.000 1.129 93 M CB 0.369 33.032 32.600 0.105 0.000 1.604 93 M HN 0.259 nan 8.290 nan 0.000 0.457 94 N N 3.093 121.810 118.700 0.029 0.000 2.518 94 N HA 0.375 5.115 4.740 0.000 0.000 0.266 94 N C -0.893 174.594 175.510 -0.038 0.000 1.196 94 N CA 0.198 53.202 53.050 -0.077 0.000 0.947 94 N CB 0.715 39.106 38.487 -0.160 0.000 1.098 94 N HN 0.513 nan 8.380 nan 0.000 0.450 95 I N 2.568 123.061 120.570 -0.130 0.000 2.382 95 I HA 0.304 4.474 4.170 0.000 0.000 0.286 95 I C -0.637 175.405 176.117 -0.125 0.000 1.002 95 I CA -0.538 60.749 61.300 -0.021 0.000 1.135 95 I CB 0.618 38.609 38.000 -0.015 0.000 1.288 95 I HN 0.204 nan 8.210 nan 0.000 0.448 96 F N 3.224 123.211 119.950 0.062 0.000 2.425 96 F HA 0.424 4.951 4.527 -0.000 0.000 0.331 96 F C 0.770 176.652 175.800 0.138 0.000 1.085 96 F CA -0.430 57.608 58.000 0.063 0.000 1.028 96 F CB 1.604 40.609 39.000 0.008 0.000 1.177 96 F HN 0.292 nan 8.300 nan 0.000 0.487 97 S N 3.479 119.371 115.700 0.320 0.000 2.537 97 S HA 0.689 5.159 4.470 0.000 0.000 0.275 97 S C -0.791 174.036 174.600 0.379 0.000 1.272 97 S CA -0.527 57.848 58.200 0.293 0.000 1.050 97 S CB 0.432 63.742 63.200 0.184 0.000 0.961 97 S HN 0.525 nan 8.310 nan 0.000 0.496 98 F N 0.512 120.481 119.950 0.032 0.000 2.711 98 F HA 0.778 5.305 4.527 -0.000 0.000 0.313 98 F C -3.332 172.465 175.800 -0.006 0.000 1.141 98 F CA -2.856 55.145 58.000 0.003 0.000 0.941 98 F CB 0.744 39.715 39.000 -0.048 0.000 1.349 98 F HN 0.274 nan 8.300 nan 0.000 0.464 99 P HA 0.294 nan 4.420 nan 0.000 0.276 99 P C -1.545 175.606 177.300 -0.247 0.000 1.244 99 P CA -0.384 62.652 63.100 -0.107 0.000 0.801 99 P CB 1.170 32.876 31.700 0.011 0.000 1.006 100 R N 2.085 122.496 120.500 -0.149 0.000 2.473 100 R HA 0.252 4.592 4.340 0.000 0.000 0.303 100 R C -0.279 176.015 176.300 -0.011 0.000 1.002 100 R CA -0.425 55.624 56.100 -0.085 0.000 0.884 100 R CB -0.080 30.137 30.300 -0.139 0.000 1.173 100 R HN 0.400 nan 8.270 nan 0.000 0.464 101 N N 3.518 122.234 118.700 0.025 0.000 2.727 101 N HA -0.311 4.429 4.740 0.000 0.000 0.249 101 N C 0.014 175.533 175.510 0.015 0.000 1.048 101 N CA 1.531 54.598 53.050 0.027 0.000 0.714 101 N CB -0.777 37.728 38.487 0.030 0.000 0.959 101 N HN 0.994 nan 8.380 nan 0.000 0.544 102 A N -3.489 119.339 122.820 0.014 0.000 3.553 102 A HA -0.130 4.190 4.320 0.000 0.000 0.261 102 A C 0.819 178.406 177.584 0.006 0.000 1.096 102 A CA 1.747 53.793 52.037 0.014 0.000 1.308 102 A CB -2.146 16.864 19.000 0.016 0.000 1.084 102 A HN 1.830 nan 8.150 nan 0.000 0.914 103 A N 0.079 122.896 122.820 -0.005 0.000 2.362 103 A HA 0.735 5.055 4.320 0.000 0.000 0.276 103 A C 0.766 178.340 177.584 -0.016 0.000 1.153 103 A CA 0.786 52.817 52.037 -0.010 0.000 0.813 103 A CB 0.016 19.007 19.000 -0.016 0.000 1.081 103 A HN 2.225 nan 8.150 nan 0.000 0.507 104 A N 3.425 126.244 122.820 -0.002 0.000 2.462 104 A HA 0.421 4.741 4.320 0.000 0.000 0.243 104 A C 0.831 178.420 177.584 0.008 0.000 1.076 104 A CA 0.002 52.045 52.037 0.010 0.000 0.773 104 A CB -0.271 18.741 19.000 0.018 0.000 1.010 104 A HN 1.251 nan 8.150 nan 0.000 0.493 105 N N -0.372 118.345 118.700 0.028 0.000 2.725 105 N HA -0.166 4.574 4.740 0.000 0.000 0.249 105 N C 0.294 175.860 175.510 0.093 0.000 1.103 105 N CA 1.587 54.677 53.050 0.066 0.000 0.707 105 N CB -0.688 37.830 38.487 0.052 0.000 1.043 105 N HN 0.766 nan 8.380 nan 0.000 0.553 106 K N -0.304 120.102 120.400 0.010 0.000 2.358 106 K HA 0.441 4.761 4.320 0.000 0.000 0.200 106 K C 0.270 176.840 176.600 -0.051 0.000 1.030 106 K CA 0.710 57.002 56.287 0.008 0.000 1.097 106 K CB 0.703 33.159 32.500 -0.074 0.000 0.862 106 K HN 0.383 nan 8.250 nan 0.000 0.534 107 A N -0.095 122.555 122.820 -0.283 0.000 2.485 107 A HA 0.727 5.047 4.320 0.000 0.000 0.292 107 A C -1.217 176.112 177.584 -0.425 0.000 1.147 107 A CA -0.837 50.784 52.037 -0.693 0.000 0.750 107 A CB 0.680 18.837 19.000 -1.405 0.000 1.331 107 A HN 0.198 nan 8.150 nan 0.000 0.419 108 F N -1.934 117.758 119.950 -0.431 0.000 2.620 108 F HA 0.925 5.452 4.527 -0.000 0.000 0.320 108 F C -0.252 175.676 175.800 0.213 0.000 1.069 108 F CA -1.076 56.854 58.000 -0.116 0.000 0.953 108 F CB 1.701 40.434 39.000 -0.444 0.000 1.322 108 F HN 0.910 nan 8.300 nan 0.000 0.479 109 A N 2.297 125.369 122.820 0.420 0.000 2.427 109 A HA 0.762 5.082 4.320 0.000 0.000 0.298 109 A C -1.392 176.405 177.584 0.355 0.000 1.036 109 A CA -0.689 51.509 52.037 0.269 0.000 0.701 109 A CB 0.941 19.897 19.000 -0.074 0.000 1.250 109 A HN 0.778 nan 8.150 nan 0.000 0.412 110 I N 2.125 122.892 120.570 0.328 0.000 2.315 110 I HA 0.373 4.543 4.170 0.000 0.000 0.291 110 I C 0.684 176.938 176.117 0.228 0.000 1.006 110 I CA -0.213 61.253 61.300 0.277 0.000 1.265 110 I CB 1.766 39.933 38.000 0.278 0.000 1.387 110 I HN 0.552 nan 8.210 nan 0.000 0.475 111 S N 6.150 121.988 115.700 0.230 0.000 2.462 111 S HA 0.556 5.026 4.470 0.000 0.000 0.294 111 S C -0.506 174.200 174.600 0.178 0.000 1.144 111 S CA -0.580 57.731 58.200 0.183 0.000 1.088 111 S CB 1.169 64.517 63.200 0.247 0.000 1.009 111 S HN 0.350 nan 8.310 nan 0.000 0.484 112 V N 5.893 125.907 119.914 0.167 0.000 2.275 112 V HA 0.399 4.519 4.120 0.000 0.000 0.272 112 V C -0.184 175.985 176.094 0.124 0.000 1.028 112 V CA -0.788 61.627 62.300 0.191 0.000 0.810 112 V CB 0.655 32.646 31.823 0.280 0.000 1.043 112 V HN 0.837 nan 8.190 nan 0.000 0.453 113 D N 2.975 123.447 120.400 0.119 0.000 2.437 113 D HA 0.522 5.162 4.640 0.000 0.000 0.259 113 D C 1.210 177.561 176.300 0.085 0.000 1.118 113 D CA 0.718 54.768 54.000 0.084 0.000 1.017 113 D CB 1.833 42.681 40.800 0.079 0.000 1.120 113 D HN 0.731 nan 8.370 nan 0.000 0.541 114 G N 0.071 108.907 108.800 0.059 0.000 2.160 114 G HA2 -0.235 3.725 3.960 0.000 0.000 0.251 114 G HA3 -0.235 3.725 3.960 0.000 0.000 0.251 114 G C 0.152 175.085 174.900 0.056 0.000 1.008 114 G CA 0.031 45.166 45.100 0.058 0.000 0.724 114 G HN 0.320 nan 8.290 nan 0.000 0.514 115 L N 0.977 122.226 121.223 0.042 0.000 2.399 115 L HA 0.564 4.904 4.340 0.000 0.000 0.266 115 L C 1.599 178.527 176.870 0.096 0.000 1.114 115 L CA -0.232 54.595 54.840 -0.022 0.000 0.804 115 L CB 0.922 42.917 42.059 -0.106 0.000 1.146 115 L HN 0.398 nan 8.230 nan 0.000 0.451 116 T N -2.137 112.433 114.554 0.027 0.000 2.788 116 T HA 0.047 4.397 4.350 0.000 0.000 0.287 116 T C 0.727 175.429 174.700 0.003 0.000 1.007 116 T CA -0.411 61.744 62.100 0.092 0.000 1.005 116 T CB 1.276 70.162 68.868 0.030 0.000 1.012 116 T HN 0.704 nan 8.240 nan 0.000 0.530 117 Q N 0.462 120.249 119.800 -0.022 0.000 2.096 117 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 117 Q C 2.431 178.240 176.000 -0.318 0.000 0.982 117 Q CA 1.746 57.278 55.803 -0.451 0.000 0.850 117 Q CB -0.791 27.794 28.738 -0.255 0.000 0.901 117 Q HN 0.916 nan 8.270 nan 0.000 0.422 118 A N 0.459 123.183 122.820 -0.160 0.000 1.908 118 A HA -0.261 4.059 4.320 0.000 0.000 0.218 118 A C 1.930 179.432 177.584 -0.137 0.000 1.181 118 A CA 1.745 53.709 52.037 -0.121 0.000 0.627 118 A CB -0.567 18.396 19.000 -0.061 0.000 0.818 118 A HN 0.542 nan 8.150 nan 0.000 0.445 119 Q N -1.382 118.316 119.800 -0.170 0.000 2.079 119 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 119 Q C 2.351 178.198 176.000 -0.254 0.000 0.974 119 Q CA 1.415 57.066 55.803 -0.252 0.000 0.840 119 Q CB -0.516 27.955 28.738 -0.445 0.000 0.898 119 Q HN 0.796 nan 8.270 nan 0.000 0.430 120 c N 1.347 119.789 118.600 -0.262 0.000 2.413 120 c HA -0.183 4.387 4.570 0.000 0.000 0.277 120 c C 2.315 176.297 174.090 -0.180 0.000 1.228 120 c CA 1.212 57.395 56.329 -0.243 0.000 1.731 120 c CB -0.534 41.728 42.510 -0.413 0.000 2.042 120 c HN 0.420 nan 8.230 nan 0.000 0.468 121 K N -0.267 120.012 120.400 -0.202 0.000 2.057 121 K HA -0.106 4.214 4.320 0.000 0.000 0.206 121 K C 2.049 178.615 176.600 -0.058 0.000 1.050 121 K CA 2.027 58.236 56.287 -0.129 0.000 0.935 121 K CB -0.464 31.956 32.500 -0.133 0.000 0.715 121 K HN 0.521 nan 8.250 nan 0.000 0.439 122 T N 1.728 116.249 114.554 -0.055 0.000 2.777 122 T HA -0.088 4.262 4.350 0.000 0.000 0.266 122 T C 1.709 176.429 174.700 0.033 0.000 1.040 122 T CA 0.815 62.911 62.100 -0.007 0.000 1.141 122 T CB -0.153 68.713 68.868 -0.002 0.000 0.868 122 T HN 0.054 nan 8.240 nan 0.000 0.444 123 L N 1.114 122.358 121.223 0.035 0.000 2.017 123 L HA 0.072 4.412 4.340 0.000 0.000 0.208 123 L C 2.139 179.119 176.870 0.184 0.000 1.073 123 L CA 1.503 56.411 54.840 0.112 0.000 0.745 123 L CB -0.646 41.489 42.059 0.126 0.000 0.894 123 L HN 0.256 nan 8.230 nan 0.000 0.432 124 I N -1.118 119.569 120.570 0.194 0.000 2.208 124 I HA -0.321 3.849 4.170 0.000 0.000 0.245 124 I C 2.369 178.585 176.117 0.165 0.000 1.097 124 I CA 1.961 63.408 61.300 0.244 0.000 1.363 124 I CB -0.503 37.545 38.000 0.080 0.000 1.051 124 I HN 0.358 nan 8.210 nan 0.000 0.413 125 T N -1.129 113.478 114.554 0.089 0.000 3.055 125 T HA -0.027 4.323 4.350 0.000 0.000 0.265 125 T C 1.896 176.637 174.700 0.068 0.000 1.111 125 T CA 1.313 63.455 62.100 0.069 0.000 1.118 125 T CB 0.030 68.921 68.868 0.037 0.000 0.909 125 T HN 0.237 nan 8.240 nan 0.000 0.501 126 S N 0.364 116.107 115.700 0.072 0.000 2.404 126 S HA 0.047 4.518 4.470 0.000 0.000 0.223 126 S C 1.894 176.526 174.600 0.053 0.000 1.040 126 S CA 1.104 59.338 58.200 0.057 0.000 0.957 126 S CB 0.312 63.547 63.200 0.059 0.000 0.826 126 S HN 0.605 nan 8.310 nan 0.000 0.491 127 V N -0.853 119.091 119.914 0.051 0.000 3.605 127 V HA 0.495 4.615 4.120 0.000 0.000 0.284 127 V C 1.753 177.925 176.094 0.129 0.000 1.386 127 V CA 0.710 63.025 62.300 0.025 0.000 1.053 127 V CB -0.426 31.328 31.823 -0.115 0.000 0.857 127 V HN 0.336 nan 8.190 nan 0.000 0.436 128 G N 0.709 109.633 108.800 0.206 0.000 2.448 128 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 128 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 128 G C 1.012 176.070 174.900 0.263 0.000 1.127 128 G CA 1.128 46.429 45.100 0.335 0.000 0.766 128 G HN 0.526 nan 8.290 nan 0.000 0.552 129 D N 0.414 120.906 120.400 0.153 0.000 2.309 129 D HA -0.051 4.589 4.640 0.000 0.000 0.212 129 D C 2.254 178.598 176.300 0.074 0.000 0.968 129 D CA 0.554 54.615 54.000 0.101 0.000 0.882 129 D CB -0.023 40.812 40.800 0.059 0.000 0.918 129 D HN 0.225 nan 8.370 nan 0.000 0.503 130 M N -0.711 118.922 119.600 0.055 0.000 2.595 130 M HA 0.120 4.600 4.480 0.000 0.000 0.248 130 M C -0.154 175.962 176.300 -0.305 0.000 1.119 130 M CA 0.215 55.429 55.300 -0.144 0.000 1.079 130 M CB -0.546 31.881 32.600 -0.288 0.000 1.472 130 M HN -0.174 nan 8.290 nan 0.000 0.501 131 F N 0.946 120.977 119.950 0.136 0.000 2.529 131 F HA 0.376 4.903 4.527 0.000 0.000 0.320 131 F C -1.606 174.301 175.800 0.179 0.000 1.118 131 F CA -1.754 56.366 58.000 0.200 0.000 0.915 131 F CB 1.585 40.779 39.000 0.322 0.000 1.161 131 F HN -0.141 nan 8.300 nan 0.000 0.445 132 P HA -0.128 nan 4.420 nan 0.000 0.225 132 P C -0.545 176.861 177.300 0.178 0.000 1.156 132 P CA 1.187 64.419 63.100 0.221 0.000 0.787 132 P CB 0.291 32.124 31.700 0.221 0.000 0.802 133 Y N 0.459 120.849 120.300 0.150 0.000 2.409 133 Y HA 0.617 5.167 4.550 -0.000 0.000 0.343 133 Y C -0.930 175.004 175.900 0.057 0.000 0.973 133 Y CA -1.147 56.974 58.100 0.035 0.000 1.064 133 Y CB 1.318 39.827 38.460 0.082 0.000 1.207 133 Y HN -0.323 nan 8.280 nan 0.000 0.452 134 I N 5.464 125.723 120.570 -0.519 0.000 2.607 134 I HA 0.742 4.912 4.170 0.000 0.000 0.290 134 I C -1.088 174.585 176.117 -0.741 0.000 1.129 134 I CA -0.944 60.042 61.300 -0.523 0.000 1.042 134 I CB 2.063 39.885 38.000 -0.297 0.000 1.242 134 I HN 0.748 nan 8.210 nan 0.000 0.421 135 A N 6.818 129.269 122.820 -0.614 0.000 2.435 135 A HA 0.933 5.253 4.320 0.000 0.000 0.304 135 A C -1.121 176.266 177.584 -0.329 0.000 1.064 135 A CA -0.500 51.269 52.037 -0.447 0.000 0.727 135 A CB 1.547 20.340 19.000 -0.345 0.000 1.284 135 A HN 0.642 nan 8.150 nan 0.000 0.415 136 I N 1.049 121.479 120.570 -0.235 0.000 2.465 136 I HA 0.419 4.589 4.170 0.000 0.000 0.291 136 I C -0.342 175.720 176.117 -0.091 0.000 1.014 136 I CA -0.809 60.402 61.300 -0.148 0.000 1.093 136 I CB 2.276 40.214 38.000 -0.104 0.000 1.267 136 I HN 0.598 nan 8.210 nan 0.000 0.431 137 K N 5.473 125.837 120.400 -0.060 0.000 2.265 137 K HA 0.732 5.052 4.320 0.000 0.000 0.267 137 K C -0.865 175.713 176.600 -0.037 0.000 0.994 137 K CA -0.243 56.007 56.287 -0.062 0.000 0.860 137 K CB 1.474 33.920 32.500 -0.089 0.000 1.099 137 K HN 0.662 nan 8.250 nan 0.000 0.448 138 A N 2.731 125.503 122.820 -0.079 0.000 2.306 138 A HA 0.611 4.931 4.320 0.000 0.000 0.314 138 A C 0.814 178.197 177.584 -0.334 0.000 1.164 138 A CA -0.085 51.780 52.037 -0.287 0.000 0.822 138 A CB 0.346 19.270 19.000 -0.127 0.000 1.130 138 A HN 1.296 nan 8.150 nan 0.000 0.496 139 G N 0.202 108.696 108.800 -0.511 0.000 2.147 139 G HA2 0.304 4.264 3.960 0.000 0.000 0.244 139 G HA3 0.304 4.264 3.960 0.000 0.000 0.244 139 G C 1.000 175.776 174.900 -0.207 0.000 1.005 139 G CA 0.783 45.693 45.100 -0.317 0.000 0.713 139 G HN 2.728 nan 8.290 nan 0.000 0.515 140 G N -1.881 106.802 108.800 -0.195 0.000 2.323 140 G HA2 0.736 4.696 3.960 0.000 0.000 0.291 140 G HA3 0.736 4.696 3.960 0.000 0.000 0.291 140 G C -0.427 174.425 174.900 -0.081 0.000 1.278 140 G CA 0.678 45.711 45.100 -0.112 0.000 0.860 140 G HN 1.851 nan 8.290 nan 0.000 0.504 141 A N -0.625 122.171 122.820 -0.040 0.000 2.304 141 A HA 0.729 5.049 4.320 0.000 0.000 0.301 141 A C 0.528 178.104 177.584 -0.013 0.000 1.132 141 A CA -0.341 51.694 52.037 -0.003 0.000 0.819 141 A CB 1.019 20.038 19.000 0.031 0.000 1.094 141 A HN 1.587 nan 8.150 nan 0.000 0.492 142 V N 1.243 121.153 119.914 -0.006 0.000 2.694 142 V HA 0.344 4.464 4.120 0.000 0.000 0.306 142 V C 0.891 176.927 176.094 -0.095 0.000 1.054 142 V CA 0.955 63.200 62.300 -0.092 0.000 1.161 142 V CB 0.413 32.162 31.823 -0.124 0.000 0.916 142 V HN 1.143 nan 8.190 nan 0.000 0.490 143 A N 3.829 126.513 122.820 -0.226 0.000 2.384 143 A HA 0.710 5.030 4.320 0.000 0.000 0.312 143 A C 0.418 177.727 177.584 -0.457 0.000 1.113 143 A CA -0.675 51.238 52.037 -0.207 0.000 0.779 143 A CB 1.221 20.176 19.000 -0.075 0.000 1.307 143 A HN 0.784 nan 8.150 nan 0.000 0.436 144 L N 1.564 122.582 121.223 -0.341 0.000 2.043 144 L HA -0.123 4.217 4.340 0.000 0.000 0.212 144 L C 2.400 179.135 176.870 -0.225 0.000 1.075 144 L CA 3.200 57.841 54.840 -0.332 0.000 0.752 144 L CB -0.641 41.420 42.059 0.002 0.000 0.891 144 L HN 0.822 nan 8.230 nan 0.000 0.432 145 A N -1.098 121.643 122.820 -0.131 0.000 2.019 145 A HA -0.185 4.135 4.320 0.000 0.000 0.219 145 A C 1.892 179.410 177.584 -0.110 0.000 1.164 145 A CA 1.627 53.614 52.037 -0.083 0.000 0.644 145 A CB -0.727 18.244 19.000 -0.048 0.000 0.805 145 A HN 0.577 nan 8.150 nan 0.000 0.449 146 D N 0.040 120.337 120.400 -0.171 0.000 2.264 146 D HA -0.065 4.575 4.640 0.000 0.000 0.208 146 D C 1.715 177.916 176.300 -0.166 0.000 0.966 146 D CA 0.781 54.683 54.000 -0.163 0.000 0.864 146 D CB -0.125 40.559 40.800 -0.193 0.000 0.933 146 D HN 0.504 nan 8.370 nan 0.000 0.499 147 L N -0.130 120.946 121.223 -0.245 0.000 2.270 147 L HA 0.119 4.459 4.340 0.000 0.000 0.210 147 L C 1.778 178.646 176.870 -0.005 0.000 1.104 147 L CA 0.433 55.101 54.840 -0.285 0.000 0.804 147 L CB -0.586 40.958 42.059 -0.859 0.000 0.937 147 L HN 0.074 nan 8.230 nan 0.000 0.450 148 G N 0.638 109.463 108.800 0.041 0.000 2.583 148 G HA2 -0.337 3.623 3.960 0.000 0.000 0.292 148 G HA3 -0.337 3.623 3.960 0.000 0.000 0.292 148 G C -0.346 174.731 174.900 0.294 0.000 1.203 148 G CA 0.270 45.456 45.100 0.144 0.000 0.987 148 G HN 0.346 nan 8.290 nan 0.000 0.554 149 D N -0.550 120.025 120.400 0.292 0.000 2.649 149 D HA 0.489 5.129 4.640 0.000 0.000 0.249 149 D C 0.949 177.405 176.300 0.259 0.000 1.112 149 D CA -0.382 53.761 54.000 0.239 0.000 0.850 149 D CB 1.556 42.429 40.800 0.121 0.000 1.399 149 D HN 0.201 nan 8.370 nan 0.000 0.503 150 F N 3.549 123.419 119.950 -0.134 0.000 2.161 150 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 150 F C 1.922 177.733 175.800 0.018 0.000 1.089 150 F CA 1.753 59.644 58.000 -0.181 0.000 1.282 150 F CB 0.409 39.026 39.000 -0.638 0.000 1.010 150 F HN 0.517 nan 8.300 nan 0.000 0.485 151 E N -0.951 119.319 120.200 0.118 0.000 2.340 151 E HA -0.009 4.341 4.350 0.000 0.000 0.198 151 E C 1.382 178.000 176.600 0.029 0.000 0.961 151 E CA 0.580 57.014 56.400 0.056 0.000 0.905 151 E CB -0.003 29.770 29.700 0.122 0.000 0.884 151 E HN 0.549 nan 8.360 nan 0.000 0.491 152 N N -0.565 118.166 118.700 0.053 0.000 2.250 152 N HA 0.091 4.831 4.740 0.000 0.000 0.190 152 N C -0.479 175.057 175.510 0.043 0.000 1.116 152 N CA -0.203 52.872 53.050 0.041 0.000 0.881 152 N CB 0.857 39.369 38.487 0.042 0.000 1.006 152 N HN -0.153 nan 8.380 nan 0.000 0.491 153 S N 1.484 117.226 115.700 0.071 0.000 2.422 153 S HA 0.354 4.824 4.470 0.000 0.000 0.283 153 S C 0.110 174.722 174.600 0.020 0.000 1.163 153 S CA -0.660 57.577 58.200 0.061 0.000 1.054 153 S CB 0.888 64.159 63.200 0.120 0.000 0.967 153 S HN 0.252 nan 8.310 nan 0.000 0.499 154 A N 3.412 126.230 122.820 -0.003 0.000 2.409 154 A HA 0.624 4.944 4.320 0.000 0.000 0.262 154 A C 0.697 178.251 177.584 -0.049 0.000 1.113 154 A CA -0.586 51.436 52.037 -0.025 0.000 0.790 154 A CB 0.006 18.994 19.000 -0.019 0.000 1.046 154 A HN 0.973 nan 8.150 nan 0.000 0.496 155 A N 1.828 124.604 122.820 -0.074 0.000 2.511 155 A HA 0.492 4.812 4.320 0.000 0.000 0.242 155 A C 0.711 178.242 177.584 -0.089 0.000 1.069 155 A CA 0.493 52.466 52.037 -0.107 0.000 0.763 155 A CB -0.028 18.903 19.000 -0.116 0.000 1.001 155 A HN 2.195 nan 8.150 nan 0.000 0.498 156 A N 2.249 124.999 122.820 -0.117 0.000 3.317 156 A HA 0.593 4.913 4.320 0.000 0.000 0.307 156 A C 0.987 178.454 177.584 -0.194 0.000 1.003 156 A CA 0.360 52.325 52.037 -0.120 0.000 0.882 156 A CB -0.255 18.691 19.000 -0.091 0.000 1.136 156 A HN 1.831 nan 8.150 nan 0.000 0.488 157 A N 0.943 123.600 122.820 -0.272 0.000 2.121 157 A HA -0.063 4.257 4.320 0.000 0.000 0.218 157 A C 1.822 179.008 177.584 -0.664 0.000 1.154 157 A CA 1.492 53.268 52.037 -0.434 0.000 0.679 157 A CB -0.185 18.553 19.000 -0.437 0.000 0.795 157 A HN 0.742 nan 8.150 nan 0.000 0.458 158 E N 0.838 120.669 120.200 -0.614 0.000 2.333 158 E HA -0.174 4.176 4.350 0.000 0.000 0.198 158 E C 1.439 177.933 176.600 -0.176 0.000 1.007 158 E CA 1.697 57.889 56.400 -0.346 0.000 0.845 158 E CB -1.181 28.487 29.700 -0.054 0.000 0.766 158 E HN 0.618 nan 8.360 nan 0.000 0.507 159 T N -3.532 110.922 114.554 -0.167 0.000 3.081 159 T HA 0.315 4.665 4.350 0.000 0.000 0.255 159 T C 1.623 176.261 174.700 -0.104 0.000 1.113 159 T CA 0.730 62.767 62.100 -0.106 0.000 1.082 159 T CB -0.091 68.725 68.868 -0.087 0.000 0.939 159 T HN 0.347 nan 8.240 nan 0.000 0.506 160 G N 0.286 108.999 108.800 -0.144 0.000 2.168 160 G HA2 -0.186 3.774 3.960 0.000 0.000 0.263 160 G HA3 -0.186 3.774 3.960 0.000 0.000 0.263 160 G C 0.120 174.961 174.900 -0.098 0.000 0.977 160 G CA 0.331 45.358 45.100 -0.122 0.000 0.659 160 G HN 1.122 nan 8.290 nan 0.000 0.533 161 V N -1.491 118.365 119.914 -0.095 0.000 3.216 161 V HA 0.842 4.962 4.120 0.000 0.000 0.302 161 V C 0.985 177.017 176.094 -0.104 0.000 1.286 161 V CA 1.227 63.483 62.300 -0.074 0.000 1.048 161 V CB 1.624 33.431 31.823 -0.027 0.000 1.081 161 V HN 2.353 nan 8.190 nan 0.000 0.442 162 G N 2.170 110.906 108.800 -0.108 0.000 2.562 162 G HA2 -0.137 3.823 3.960 0.000 0.000 0.250 162 G HA3 -0.137 3.823 3.960 0.000 0.000 0.250 162 G C -0.305 174.482 174.900 -0.187 0.000 1.269 162 G CA -0.232 44.791 45.100 -0.128 0.000 0.919 162 G HN 1.664 nan 8.290 nan 0.000 0.574 163 V N 1.239 121.040 119.914 -0.189 0.000 2.446 163 V HA 0.354 4.474 4.120 0.000 0.000 0.276 163 V C 1.629 177.570 176.094 -0.255 0.000 1.030 163 V CA 1.311 63.441 62.300 -0.285 0.000 1.033 163 V CB 0.595 32.289 31.823 -0.216 0.000 0.993 163 V HN 1.062 nan 8.190 nan 0.000 0.477 164 I N 1.552 121.942 120.570 -0.300 0.000 4.154 164 I HA 0.512 4.683 4.170 0.000 0.000 0.334 164 I C 0.492 176.490 176.117 -0.198 0.000 1.371 164 I CA 0.184 61.347 61.300 -0.228 0.000 1.110 164 I CB 0.218 38.093 38.000 -0.209 0.000 1.085 164 I HN 0.472 nan 8.210 nan 0.000 0.398 165 K N 1.671 121.916 120.400 -0.257 0.000 2.565 165 K HA 0.609 4.929 4.320 0.000 0.000 0.251 165 K C -1.131 175.329 176.600 -0.233 0.000 0.956 165 K CA -0.176 56.003 56.287 -0.179 0.000 0.809 165 K CB 1.819 34.256 32.500 -0.104 0.000 1.267 165 K HN 0.359 nan 8.250 nan 0.000 0.438 166 S N 2.605 118.215 115.700 -0.152 0.000 2.615 166 S HA 0.305 4.775 4.470 0.000 0.000 0.269 166 S C 0.662 175.179 174.600 -0.138 0.000 1.161 166 S CA -0.938 57.167 58.200 -0.159 0.000 0.817 166 S CB 0.537 63.667 63.200 -0.118 0.000 1.131 166 S HN 0.692 nan 8.310 nan 0.000 0.467 167 I N -0.392 120.049 120.570 -0.215 0.000 3.444 167 I HA 0.457 4.627 4.170 0.000 0.000 0.287 167 I C 0.943 177.017 176.117 -0.071 0.000 1.302 167 I CA -0.110 61.117 61.300 -0.122 0.000 1.368 167 I CB -0.793 37.138 38.000 -0.114 0.000 1.048 167 I HN 0.699 nan 8.210 nan 0.000 0.487 168 A N 2.695 125.471 122.820 -0.073 0.000 2.546 168 A HA 0.207 4.527 4.320 0.000 0.000 0.243 168 A C -1.272 176.299 177.584 -0.020 0.000 1.063 168 A CA -0.740 51.278 52.037 -0.032 0.000 0.757 168 A CB -0.316 18.670 19.000 -0.024 0.000 0.991 168 A HN 0.212 nan 8.150 nan 0.000 0.503 169 P HA -0.092 nan 4.420 nan 0.000 0.220 169 P C 1.201 178.498 177.300 -0.005 0.000 1.148 169 P CA 1.729 64.827 63.100 -0.004 0.000 0.803 169 P CB 0.240 31.942 31.700 0.002 0.000 0.782 170 A N -1.091 121.726 122.820 -0.006 0.000 2.238 170 A HA 0.097 4.417 4.320 0.000 0.000 0.208 170 A C 1.006 178.585 177.584 -0.010 0.000 1.177 170 A CA 0.195 52.229 52.037 -0.005 0.000 0.804 170 A CB -0.949 18.049 19.000 -0.004 0.000 0.823 170 A HN 0.092 nan 8.150 nan 0.000 0.482 171 S N 0.867 116.557 115.700 -0.016 0.000 2.558 171 S HA 0.138 4.608 4.470 0.000 0.000 0.288 171 S C 0.181 174.775 174.600 -0.010 0.000 1.318 171 S CA 0.208 58.393 58.200 -0.024 0.000 1.056 171 S CB 0.472 63.649 63.200 -0.038 0.000 0.853 171 S HN 0.432 nan 8.310 nan 0.000 0.505 172 K N 3.153 123.547 120.400 -0.010 0.000 2.290 172 K HA 0.216 4.536 4.320 0.000 0.000 0.250 172 K C -0.516 176.099 176.600 0.026 0.000 1.092 172 K CA -0.525 55.777 56.287 0.025 0.000 1.006 172 K CB 0.238 32.757 32.500 0.031 0.000 1.549 172 K HN 0.435 nan 8.250 nan 0.000 0.436 173 N N 1.770 120.492 118.700 0.037 0.000 2.503 173 N HA 0.045 4.785 4.740 0.000 0.000 0.267 173 N C -0.053 175.519 175.510 0.104 0.000 1.214 173 N CA -0.534 52.530 53.050 0.022 0.000 0.959 173 N CB 0.563 39.056 38.487 0.009 0.000 1.142 173 N HN 0.293 nan 8.380 nan 0.000 0.455 174 L N 1.442 122.701 121.223 0.061 0.000 2.578 174 L HA -0.038 4.302 4.340 0.000 0.000 0.279 174 L C -0.029 176.938 176.870 0.161 0.000 1.227 174 L CA 0.806 55.734 54.840 0.148 0.000 0.900 174 L CB -0.174 41.912 42.059 0.045 0.000 1.144 174 L HN 0.477 nan 8.230 nan 0.000 0.496 175 D N 4.302 124.811 120.400 0.181 0.000 2.336 175 D HA 0.166 4.806 4.640 0.000 0.000 0.248 175 D C 0.536 176.805 176.300 -0.052 0.000 1.326 175 D CA -0.314 53.672 54.000 -0.023 0.000 0.973 175 D CB 0.461 41.130 40.800 -0.218 0.000 1.255 175 D HN 0.604 nan 8.370 nan 0.000 0.558 176 L N 2.127 123.344 121.223 -0.010 0.000 2.551 176 L HA -0.014 4.326 4.340 0.000 0.000 0.228 176 L C 2.121 178.972 176.870 -0.033 0.000 1.153 176 L CA 1.218 56.054 54.840 -0.006 0.000 0.851 176 L CB -0.368 41.696 42.059 0.007 0.000 0.959 176 L HN 0.460 nan 8.230 nan 0.000 0.451 177 T N -4.216 110.302 114.554 -0.060 0.000 3.088 177 T HA -0.047 4.303 4.350 0.000 0.000 0.259 177 T C 0.942 175.590 174.700 -0.087 0.000 1.122 177 T CA -0.022 62.041 62.100 -0.062 0.000 1.095 177 T CB -0.246 68.586 68.868 -0.059 0.000 0.930 177 T HN 0.091 nan 8.240 nan 0.000 0.508 178 N N 1.020 119.636 118.700 -0.140 0.000 2.485 178 N HA 0.220 4.960 4.740 0.000 0.000 0.243 178 N C 0.599 176.064 175.510 -0.075 0.000 0.987 178 N CA -0.783 52.164 53.050 -0.172 0.000 0.940 178 N CB 1.026 39.254 38.487 -0.432 0.000 1.122 178 N HN 0.110 nan 8.380 nan 0.000 0.509 179 I N 3.409 123.956 120.570 -0.038 0.000 2.454 179 I HA -0.190 3.980 4.170 0.000 0.000 0.254 179 I C 1.618 177.747 176.117 0.020 0.000 1.156 179 I CA 1.560 62.856 61.300 -0.007 0.000 1.433 179 I CB -0.224 37.771 38.000 -0.009 0.000 1.082 179 I HN 0.526 nan 8.210 nan 0.000 0.432 180 T N -0.380 114.196 114.554 0.036 0.000 2.708 180 T HA -0.197 4.153 4.350 0.000 0.000 0.266 180 T C 1.780 176.560 174.700 0.132 0.000 1.037 180 T CA 1.915 64.062 62.100 0.078 0.000 1.146 180 T CB -0.434 68.498 68.868 0.105 0.000 0.865 180 T HN 0.404 nan 8.240 nan 0.000 0.435 181 H N 0.408 119.461 119.070 -0.028 0.000 2.353 181 H HA 0.047 4.603 4.556 0.000 0.000 0.300 181 H C 2.373 177.678 175.328 -0.038 0.000 1.090 181 H CA 0.616 56.644 56.048 -0.034 0.000 1.327 181 H CB -0.946 28.796 29.762 -0.032 0.000 1.383 181 H HN 0.149 nan 8.280 nan 0.000 0.508 182 V N 0.812 120.785 119.914 0.098 0.000 2.295 182 V HA -0.221 3.900 4.120 0.000 0.000 0.246 182 V C 2.108 178.204 176.094 0.003 0.000 1.049 182 V CA 1.993 64.313 62.300 0.033 0.000 1.024 182 V CB -0.332 31.501 31.823 0.016 0.000 0.648 182 V HN 0.474 nan 8.190 nan 0.000 0.447 183 E N -0.375 119.829 120.200 0.007 0.000 2.107 183 E HA -0.153 4.197 4.350 0.000 0.000 0.191 183 E C 2.229 178.815 176.600 -0.023 0.000 0.982 183 E CA 0.754 57.148 56.400 -0.010 0.000 0.809 183 E CB -0.075 29.623 29.700 -0.003 0.000 0.756 183 E HN 0.462 nan 8.360 nan 0.000 0.459 184 K N 0.629 121.017 120.400 -0.019 0.000 2.296 184 K HA -0.006 4.314 4.320 0.000 0.000 0.200 184 K C 0.690 177.249 176.600 -0.068 0.000 1.048 184 K CA -0.065 56.198 56.287 -0.039 0.000 0.966 184 K CB -0.212 32.263 32.500 -0.042 0.000 0.754 184 K HN 0.065 nan 8.250 nan 0.000 0.466 185 L N 1.683 122.860 121.223 -0.077 0.000 2.628 185 L HA -0.152 4.188 4.340 0.000 0.000 0.274 185 L C -0.048 176.721 176.870 -0.169 0.000 1.209 185 L CA 0.771 55.544 54.840 -0.112 0.000 0.930 185 L CB -0.547 41.457 42.059 -0.092 0.000 1.183 185 L HN 0.408 nan 8.230 nan 0.000 0.492 186 c N 3.374 121.859 118.600 -0.192 0.000 4.533 186 c HA -0.150 4.420 4.570 0.000 0.000 0.304 186 c C 0.851 174.815 174.090 -0.210 0.000 1.316 186 c CA 0.659 56.786 56.329 -0.337 0.000 2.053 186 c CB -2.761 39.331 42.510 -0.696 0.000 1.242 186 c HN 0.936 nan 8.230 nan 0.000 0.758 187 K N 0.891 121.285 120.400 -0.010 0.000 2.412 187 K HA 0.476 4.796 4.320 0.000 0.000 0.281 187 K C 0.920 177.657 176.600 0.229 0.000 1.027 187 K CA 1.161 57.490 56.287 0.070 0.000 0.989 187 K CB 0.300 32.813 32.500 0.021 0.000 0.935 187 K HN 1.307 nan 8.250 nan 0.000 0.475 188 G N 1.242 110.181 108.800 0.232 0.000 2.280 188 G HA2 -0.136 3.824 3.960 0.000 0.000 0.277 188 G HA3 -0.136 3.824 3.960 0.000 0.000 0.277 188 G C -0.781 174.218 174.900 0.166 0.000 1.288 188 G CA -0.319 44.876 45.100 0.158 0.000 1.075 188 G HN 0.697 nan 8.290 nan 0.000 0.480 189 T N -0.464 114.044 114.554 -0.077 0.000 2.934 189 T HA 0.792 5.142 4.350 0.000 0.000 0.283 189 T C 0.757 175.128 174.700 -0.548 0.000 1.005 189 T CA 1.109 63.113 62.100 -0.160 0.000 1.041 189 T CB 0.896 69.690 68.868 -0.123 0.000 1.042 189 T HN 2.075 nan 8.240 nan 0.000 0.505 190 A N 4.219 126.820 122.820 -0.366 0.000 2.257 190 A HA 0.769 5.089 4.320 0.000 0.000 0.289 190 A C -2.207 175.193 177.584 -0.307 0.000 1.095 190 A CA -1.547 50.217 52.037 -0.455 0.000 0.836 190 A CB -0.164 18.815 19.000 -0.034 0.000 1.111 190 A HN 0.788 nan 8.150 nan 0.000 0.497 191 P HA 0.374 nan 4.420 nan 0.000 0.274 191 P C -1.150 175.903 177.300 -0.411 0.000 1.246 191 P CA 0.113 63.097 63.100 -0.194 0.000 0.795 191 P CB 0.335 31.990 31.700 -0.075 0.000 1.006 192 F N -0.338 119.577 119.950 -0.057 0.000 2.443 192 F HA 0.573 5.100 4.527 0.000 0.000 0.335 192 F C 1.149 176.905 175.800 -0.073 0.000 1.104 192 F CA -0.144 57.811 58.000 -0.074 0.000 1.013 192 F CB 1.869 40.814 39.000 -0.091 0.000 1.136 192 F HN 0.286 nan 8.300 nan 0.000 0.470 193 G N 1.619 110.467 108.800 0.080 0.000 2.461 193 G HA2 0.616 4.576 3.960 0.000 0.000 0.323 193 G HA3 0.616 4.576 3.960 0.000 0.000 0.323 193 G C -1.824 173.053 174.900 -0.037 0.000 1.229 193 G CA -0.701 44.413 45.100 0.022 0.000 0.941 193 G HN 0.481 nan 8.290 nan 0.000 0.477 194 V N 1.081 120.943 119.914 -0.087 0.000 2.540 194 V HA 0.738 4.858 4.120 0.000 0.000 0.302 194 V C 0.262 176.142 176.094 -0.356 0.000 1.035 194 V CA -0.891 61.241 62.300 -0.281 0.000 0.873 194 V CB 1.511 33.111 31.823 -0.372 0.000 0.992 194 V HN 1.083 nan 8.190 nan 0.000 0.428 195 A N 4.853 127.414 122.820 -0.431 0.000 2.271 195 A HA 0.857 5.177 4.320 0.000 0.000 0.317 195 A C -0.998 176.311 177.584 -0.458 0.000 1.245 195 A CA -0.288 51.572 52.037 -0.294 0.000 0.857 195 A CB 0.286 19.186 19.000 -0.165 0.000 1.175 195 A HN 0.661 nan 8.150 nan 0.000 0.512 196 F N 2.123 121.969 119.950 -0.172 0.000 2.388 196 F HA 0.573 5.101 4.527 0.000 0.000 0.358 196 F C 1.002 176.671 175.800 -0.218 0.000 1.122 196 F CA -0.058 57.647 58.000 -0.491 0.000 1.056 196 F CB 2.223 40.427 39.000 -1.327 0.000 1.155 196 F HN 0.683 nan 8.300 nan 0.000 0.461 197 G N 2.339 111.345 108.800 0.345 0.000 2.498 197 G HA2 0.571 4.531 3.960 0.000 0.000 0.312 197 G HA3 0.571 4.531 3.960 0.000 0.000 0.312 197 G C -1.565 173.564 174.900 0.381 0.000 1.230 197 G CA -0.488 44.809 45.100 0.329 0.000 0.968 197 G HN 0.482 nan 8.290 nan 0.000 0.481 198 N N -1.524 116.962 118.700 -0.356 0.000 3.243 198 N HA 0.720 5.460 4.740 0.000 0.000 0.280 198 N C -1.121 173.747 175.510 -1.070 0.000 1.545 198 N CA -0.338 52.475 53.050 -0.394 0.000 0.854 198 N CB 2.089 40.473 38.487 -0.172 0.000 1.612 198 N HN 0.670 nan 8.380 nan 0.000 0.577 199 S N 0.000 115.318 115.700 -0.636 0.000 2.498 199 S HA 0.000 4.470 4.470 0.000 0.000 0.327 199 S CA 0.000 57.911 58.200 -0.481 0.000 1.107 199 S CB 0.000 62.572 63.200 -1.047 0.000 0.593 199 S HN 0.000 nan 8.310 nan 0.000 0.517