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 1ju6_1_D DATA FIRST_RESID 28 DATA SEQUENCE HGELQYLGQI QHILRCGVEK DDRTGTGTLS VFGMQARYSL RDEFPLLTTK DATA SEQUENCE RVFWKGVLEE LLWFIKGSTN AKELSSKGVK IWDANGSRDF LDSLGFSTRE DATA SEQUENCE EGDLGPVYGF QWRHFGAEYR DMESDYSGQG VDQLQRVIDT IKTNPDDRRI DATA SEQUENCE IMCAWNPRDL PLMALPPCHA LCQFYVVNSE LSCQLYQRSG DMGLGVPFNI DATA SEQUENCE ASYALLTYMI AHITGLKPGD FIHTLGDAHI YLNHIEPLKI QLQREPRPFP DATA SEQUENCE KLRILRKVEK IDDFKAEDFQ IEGYNPHPTI KMEMAV 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 28 H HA 0.000 nan 4.556 nan 0.000 0.296 28 H C 0.000 175.347 175.328 0.032 0.000 0.993 28 H CA 0.000 56.043 56.048 -0.008 0.000 1.023 28 H CB 0.000 29.736 29.762 -0.043 0.000 1.292 29 G N -0.422 108.740 108.800 0.603 0.000 2.411 29 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.213 29 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.213 29 G C 1.234 176.424 174.900 0.483 0.000 1.166 29 G CA 0.738 46.159 45.100 0.534 0.000 0.802 29 G HN 0.616 nan 8.290 nan 0.000 0.533 30 E N -0.066 120.331 120.200 0.329 0.000 2.396 30 E HA 0.001 4.351 4.350 -0.000 0.000 0.200 30 E C 2.260 178.936 176.600 0.126 0.000 1.023 30 E CA 0.130 56.687 56.400 0.262 0.000 0.857 30 E CB -0.141 29.570 29.700 0.018 0.000 0.775 30 E HN 0.427 nan 8.360 nan 0.000 0.525 31 L N 0.159 121.352 121.223 -0.050 0.000 2.217 31 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 31 L C 2.449 179.342 176.870 0.038 0.000 1.107 31 L CA 0.901 55.715 54.840 -0.043 0.000 0.783 31 L CB -0.227 41.773 42.059 -0.099 0.000 0.919 31 L HN 0.223 nan 8.230 nan 0.000 0.442 32 Q N -0.963 118.890 119.800 0.088 0.000 2.084 32 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 32 Q C 2.043 178.145 176.000 0.169 0.000 0.978 32 Q CA 2.046 57.885 55.803 0.061 0.000 0.844 32 Q CB -0.230 28.465 28.738 -0.071 0.000 0.898 32 Q HN 0.529 nan 8.270 nan 0.000 0.426 33 Y N 1.122 121.546 120.300 0.207 0.000 2.089 33 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 33 Y C 1.932 177.904 175.900 0.120 0.000 1.139 33 Y CA 1.329 59.560 58.100 0.219 0.000 1.123 33 Y CB -0.162 38.464 38.460 0.277 0.000 0.980 33 Y HN -0.005 nan 8.280 nan 0.000 0.493 34 L N 0.267 121.423 121.223 -0.113 0.000 2.129 34 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 34 L C 2.685 179.454 176.870 -0.170 0.000 1.087 34 L CA 1.297 56.000 54.840 -0.228 0.000 0.757 34 L CB -1.181 40.837 42.059 -0.067 0.000 0.896 34 L HN 0.502 nan 8.230 nan 0.000 0.434 35 G N -0.832 107.918 108.800 -0.084 0.000 2.404 35 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 35 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 35 G C 1.481 176.356 174.900 -0.041 0.000 1.174 35 G CA 0.339 45.411 45.100 -0.046 0.000 0.780 35 G HN 0.409 nan 8.290 nan 0.000 0.537 36 Q N -0.212 119.546 119.800 -0.070 0.000 2.124 36 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 36 Q C 2.600 178.562 176.000 -0.064 0.000 0.977 36 Q CA 0.835 56.602 55.803 -0.060 0.000 0.850 36 Q CB -0.192 28.523 28.738 -0.037 0.000 0.901 36 Q HN 0.372 nan 8.270 nan 0.000 0.429 37 I N 0.979 121.433 120.570 -0.193 0.000 2.163 37 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 37 I C 2.446 178.521 176.117 -0.069 0.000 1.085 37 I CA 1.611 62.807 61.300 -0.174 0.000 1.347 37 I CB -1.067 36.746 38.000 -0.312 0.000 1.044 37 I HN 0.383 nan 8.210 nan 0.000 0.408 38 Q N -0.251 119.513 119.800 -0.060 0.000 2.046 38 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 38 Q C 2.486 178.492 176.000 0.009 0.000 0.975 38 Q CA 1.332 57.119 55.803 -0.027 0.000 0.836 38 Q CB -0.198 28.521 28.738 -0.031 0.000 0.896 38 Q HN 0.493 nan 8.270 nan 0.000 0.428 39 H N 0.687 119.725 119.070 -0.054 0.000 2.319 39 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 39 H C 1.968 177.280 175.328 -0.028 0.000 1.092 39 H CA 1.902 57.928 56.048 -0.038 0.000 1.302 39 H CB -0.198 29.541 29.762 -0.040 0.000 1.373 39 H HN 0.323 nan 8.280 nan 0.000 0.497 40 I N 0.435 121.118 120.570 0.188 0.000 2.226 40 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 40 I C 2.731 178.869 176.117 0.036 0.000 1.100 40 I CA 0.842 62.217 61.300 0.125 0.000 1.374 40 I CB -0.246 37.800 38.000 0.075 0.000 1.057 40 I HN 0.190 nan 8.210 nan 0.000 0.413 41 L N 0.013 121.241 121.223 0.009 0.000 2.056 41 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 41 L C 2.730 179.581 176.870 -0.032 0.000 1.078 41 L CA 1.129 55.965 54.840 -0.006 0.000 0.749 41 L CB -0.478 41.575 42.059 -0.009 0.000 0.901 41 L HN 0.199 nan 8.230 nan 0.000 0.433 42 R N -1.108 119.352 120.500 -0.067 0.000 2.127 42 R HA 0.057 4.397 4.340 -0.000 0.000 0.217 42 R C 1.729 177.949 176.300 -0.133 0.000 1.074 42 R CA 0.856 56.899 56.100 -0.094 0.000 0.991 42 R CB -0.786 29.450 30.300 -0.108 0.000 0.895 42 R HN 0.342 nan 8.270 nan 0.000 0.450 43 C N -0.149 119.026 119.300 -0.208 0.000 3.336 43 C HA 0.405 4.865 4.460 -0.000 0.000 0.291 43 C C 1.111 176.057 174.990 -0.074 0.000 1.363 43 C CA -0.847 58.044 59.018 -0.211 0.000 1.737 43 C CB -0.127 27.327 27.740 -0.476 0.000 2.274 43 C HN 0.347 nan 8.230 nan 0.000 0.663 44 G N 1.092 109.880 108.800 -0.019 0.000 2.432 44 G HA2 0.476 4.436 3.960 -0.000 0.000 0.257 44 G HA3 0.476 4.436 3.960 -0.000 0.000 0.257 44 G C -0.338 174.574 174.900 0.021 0.000 1.238 44 G CA 0.199 45.321 45.100 0.037 0.000 0.838 44 G HN 0.154 nan 8.290 nan 0.000 0.547 45 V N 1.523 121.455 119.914 0.030 0.000 2.567 45 V HA 0.227 4.347 4.120 -0.000 0.000 0.289 45 V C 0.650 176.754 176.094 0.017 0.000 1.049 45 V CA -0.753 61.558 62.300 0.018 0.000 0.969 45 V CB 1.620 33.453 31.823 0.016 0.000 0.995 45 V HN 0.864 nan 8.190 nan 0.000 0.471 46 E N 3.480 123.687 120.200 0.011 0.000 2.344 46 E HA 0.261 4.611 4.350 -0.000 0.000 0.270 46 E C -0.418 176.186 176.600 0.006 0.000 1.021 46 E CA -0.057 56.350 56.400 0.012 0.000 0.887 46 E CB 0.580 30.287 29.700 0.012 0.000 0.997 46 E HN 0.572 nan 8.360 nan 0.000 0.429 47 K N 3.600 124.002 120.400 0.003 0.000 2.501 47 K HA 0.189 4.509 4.320 -0.000 0.000 0.252 47 K C -1.633 174.963 176.600 -0.006 0.000 0.934 47 K CA -0.872 55.411 56.287 -0.008 0.000 0.797 47 K CB 1.183 33.671 32.500 -0.019 0.000 1.270 47 K HN 0.453 nan 8.250 nan 0.000 0.431 48 D N 2.133 122.531 120.400 -0.003 0.000 2.339 48 D HA 0.139 4.778 4.640 -0.000 0.000 0.245 48 D C -0.330 175.971 176.300 0.001 0.000 1.115 48 D CA 0.078 54.082 54.000 0.007 0.000 0.917 48 D CB 0.944 41.748 40.800 0.007 0.000 1.192 48 D HN 0.457 nan 8.370 nan 0.000 0.428 49 D N -0.735 119.680 120.400 0.024 0.000 2.531 49 D HA 0.162 4.801 4.640 -0.000 0.000 0.244 49 D C 0.677 177.003 176.300 0.045 0.000 1.090 49 D CA -0.900 53.117 54.000 0.028 0.000 0.989 49 D CB 1.259 42.098 40.800 0.065 0.000 1.433 49 D HN 0.467 nan 8.370 nan 0.000 0.492 50 R N -0.746 119.786 120.500 0.053 0.000 2.193 50 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 50 R C 1.446 177.782 176.300 0.059 0.000 1.110 50 R CA 2.111 58.245 56.100 0.056 0.000 0.988 50 R CB -0.899 29.445 30.300 0.074 0.000 0.871 50 R HN 0.520 nan 8.270 nan 0.000 0.458 51 T N -3.913 110.677 114.554 0.060 0.000 3.113 51 T HA 0.253 4.603 4.350 -0.000 0.000 0.256 51 T C 1.500 176.197 174.700 -0.004 0.000 1.131 51 T CA 0.436 62.548 62.100 0.020 0.000 1.074 51 T CB 0.341 69.172 68.868 -0.062 0.000 0.944 51 T HN 0.544 nan 8.240 nan 0.000 0.516 52 G N 0.716 109.523 108.800 0.012 0.000 2.241 52 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 52 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 52 G C 0.380 175.282 174.900 0.003 0.000 0.998 52 G CA 0.236 45.339 45.100 0.005 0.000 0.621 52 G HN 0.758 nan 8.290 nan 0.000 0.519 53 T N 0.885 115.433 114.554 -0.010 0.000 2.726 53 T HA 0.539 4.889 4.350 -0.000 0.000 0.294 53 T C 1.087 175.837 174.700 0.082 0.000 1.013 53 T CA 0.339 62.441 62.100 0.003 0.000 0.996 53 T CB 1.320 70.135 68.868 -0.088 0.000 1.016 53 T HN 1.117 nan 8.240 nan 0.000 0.529 54 G N -0.460 108.400 108.800 0.101 0.000 2.488 54 G HA2 0.579 4.539 3.960 -0.000 0.000 0.318 54 G HA3 0.579 4.539 3.960 -0.000 0.000 0.318 54 G C -0.825 174.161 174.900 0.142 0.000 1.188 54 G CA -0.371 44.785 45.100 0.095 0.000 0.944 54 G HN 0.677 nan 8.290 nan 0.000 0.495 55 T N -0.329 114.265 114.554 0.066 0.000 2.923 55 T HA 0.488 4.838 4.350 -0.000 0.000 0.311 55 T C -0.977 173.731 174.700 0.013 0.000 1.183 55 T CA -0.347 61.761 62.100 0.015 0.000 1.020 55 T CB 1.349 70.163 68.868 -0.090 0.000 1.165 55 T HN 0.332 nan 8.240 nan 0.000 0.482 56 L N 3.090 124.325 121.223 0.019 0.000 2.325 56 L HA 0.736 5.076 4.340 -0.000 0.000 0.281 56 L C -0.043 176.857 176.870 0.051 0.000 1.004 56 L CA -0.622 54.237 54.840 0.032 0.000 0.823 56 L CB 1.734 43.813 42.059 0.035 0.000 1.236 56 L HN 0.752 nan 8.230 nan 0.000 0.415 57 S N 2.742 118.477 115.700 0.058 0.000 2.595 57 S HA 0.877 5.347 4.470 -0.000 0.000 0.281 57 S C -1.007 173.657 174.600 0.106 0.000 1.117 57 S CA -0.691 57.565 58.200 0.094 0.000 0.873 57 S CB 2.529 65.788 63.200 0.098 0.000 1.108 57 S HN 0.197 nan 8.310 nan 0.000 0.477 58 V N 1.716 121.707 119.914 0.129 0.000 2.962 58 V HA 0.669 4.789 4.120 -0.000 0.000 0.313 58 V C -1.593 174.612 176.094 0.184 0.000 1.099 58 V CA -0.745 61.642 62.300 0.144 0.000 0.971 58 V CB 1.959 33.855 31.823 0.121 0.000 1.028 58 V HN 0.918 nan 8.190 nan 0.000 0.430 59 F N 2.754 122.707 119.950 0.005 0.000 2.445 59 F HA 0.768 5.295 4.527 -0.000 0.000 0.348 59 F C 0.355 176.137 175.800 -0.029 0.000 1.125 59 F CA 0.099 58.094 58.000 -0.008 0.000 0.983 59 F CB 1.260 40.264 39.000 0.006 0.000 1.198 59 F HN 0.820 nan 8.300 nan 0.000 0.436 60 G N 7.175 115.665 108.800 -0.516 0.000 3.251 60 G HA2 0.001 3.961 3.960 -0.000 0.000 0.680 60 G HA3 0.001 3.961 3.960 -0.000 0.000 0.680 60 G C -1.295 173.433 174.900 -0.287 0.000 1.129 60 G CA -0.439 44.382 45.100 -0.465 0.000 0.994 60 G HN 0.685 nan 8.290 nan 0.000 0.450 61 M N 1.043 120.466 119.600 -0.294 0.000 2.622 61 M HA 0.704 5.184 4.480 -0.000 0.000 0.276 61 M C -0.456 175.688 176.300 -0.261 0.000 1.265 61 M CA -0.888 54.257 55.300 -0.257 0.000 0.850 61 M CB 2.880 35.333 32.600 -0.245 0.000 1.720 61 M HN 0.579 nan 8.290 nan 0.000 0.465 62 Q N 0.744 120.412 119.800 -0.220 0.000 2.352 62 Q HA 0.770 5.110 4.340 -0.000 0.000 0.270 62 Q C -2.292 173.601 176.000 -0.179 0.000 1.006 62 Q CA -0.477 55.199 55.803 -0.211 0.000 0.880 62 Q CB 2.985 31.610 28.738 -0.188 0.000 1.392 62 Q HN 0.887 nan 8.270 nan 0.000 0.401 63 A N 3.289 126.006 122.820 -0.172 0.000 2.422 63 A HA 0.713 5.033 4.320 -0.000 0.000 0.302 63 A C -1.501 175.861 177.584 -0.370 0.000 1.041 63 A CA -0.661 51.224 52.037 -0.254 0.000 0.708 63 A CB 1.743 20.628 19.000 -0.191 0.000 1.257 63 A HN 0.701 nan 8.150 nan 0.000 0.414 64 R N 2.239 122.487 120.500 -0.419 0.000 2.246 64 R HA 0.526 4.866 4.340 -0.000 0.000 0.332 64 R C -1.804 174.288 176.300 -0.347 0.000 0.974 64 R CA -0.241 55.677 56.100 -0.303 0.000 0.837 64 R CB 0.435 30.630 30.300 -0.175 0.000 1.145 64 R HN 0.698 nan 8.270 nan 0.000 0.467 65 Y N 1.828 122.163 120.300 0.058 0.000 2.328 65 Y HA 0.211 4.761 4.550 -0.000 0.000 0.337 65 Y C 0.635 176.612 175.900 0.128 0.000 1.008 65 Y CA -0.405 57.774 58.100 0.132 0.000 1.129 65 Y CB 2.031 40.593 38.460 0.169 0.000 1.185 65 Y HN 0.468 nan 8.280 nan 0.000 0.476 66 S N 3.512 119.355 115.700 0.238 0.000 2.523 66 S HA 0.256 4.726 4.470 -0.000 0.000 0.275 66 S C 0.299 175.016 174.600 0.194 0.000 1.281 66 S CA -0.652 57.659 58.200 0.185 0.000 1.050 66 S CB 0.328 63.617 63.200 0.148 0.000 0.937 66 S HN 0.617 nan 8.310 nan 0.000 0.492 67 L N 4.681 126.022 121.223 0.196 0.000 2.667 67 L HA 0.328 4.668 4.340 -0.000 0.000 0.232 67 L C 0.909 177.904 176.870 0.208 0.000 1.138 67 L CA 0.454 55.454 54.840 0.266 0.000 0.921 67 L CB -1.087 41.164 42.059 0.320 0.000 1.180 67 L HN 0.625 nan 8.230 nan 0.000 0.487 68 R N 0.914 121.500 120.500 0.144 0.000 2.291 68 R HA 0.092 4.432 4.340 -0.000 0.000 0.333 68 R C -0.055 176.320 176.300 0.126 0.000 1.082 68 R CA -0.247 55.915 56.100 0.104 0.000 0.948 68 R CB -0.029 30.318 30.300 0.079 0.000 1.009 68 R HN 0.021 nan 8.270 nan 0.000 0.460 69 D N 1.810 122.290 120.400 0.134 0.000 2.837 69 D HA -0.208 4.432 4.640 -0.000 0.000 0.230 69 D C -0.957 175.434 176.300 0.152 0.000 1.152 69 D CA 1.992 56.071 54.000 0.132 0.000 0.736 69 D CB -0.472 40.380 40.800 0.088 0.000 1.084 69 D HN 0.813 nan 8.370 nan 0.000 0.429 70 E N -1.476 118.851 120.200 0.211 0.000 2.431 70 E HA 0.351 4.700 4.350 -0.000 0.000 0.287 70 E C -1.386 175.324 176.600 0.183 0.000 1.032 70 E CA -1.010 55.500 56.400 0.184 0.000 0.839 70 E CB 0.474 30.281 29.700 0.178 0.000 1.218 70 E HN 0.011 nan 8.360 nan 0.000 0.424 71 F N 3.665 123.518 119.950 -0.162 0.000 2.449 71 F HA 0.449 4.976 4.527 -0.000 0.000 0.342 71 F C -2.257 173.133 175.800 -0.684 0.000 1.127 71 F CA -2.606 55.151 58.000 -0.406 0.000 0.975 71 F CB 1.916 40.568 39.000 -0.580 0.000 1.146 71 F HN 0.221 nan 8.300 nan 0.000 0.444 72 P HA 0.049 nan 4.420 nan 0.000 0.249 72 P C -0.878 175.562 177.300 -1.433 0.000 1.737 72 P CA 0.099 61.975 63.100 -2.039 0.000 1.128 72 P CB 0.390 31.342 31.700 -1.246 0.000 1.942 73 L N 4.675 125.339 121.223 -0.933 0.000 2.295 73 L HA 0.265 4.605 4.340 -0.000 0.000 0.281 73 L C 0.173 177.135 176.870 0.154 0.000 1.018 73 L CA -0.932 53.688 54.840 -0.366 0.000 0.841 73 L CB 0.588 42.368 42.059 -0.466 0.000 1.218 73 L HN 0.128 nan 8.230 nan 0.000 0.424 74 L N 3.837 125.207 121.223 0.245 0.000 2.667 74 L HA -0.087 4.253 4.340 -0.000 0.000 0.296 74 L C 1.359 178.529 176.870 0.500 0.000 1.252 74 L CA 1.062 56.164 54.840 0.437 0.000 0.891 74 L CB 0.095 42.274 42.059 0.199 0.000 1.141 74 L HN 0.844 nan 8.230 nan 0.000 0.501 75 T N -4.378 110.429 114.554 0.422 0.000 2.990 75 T HA -0.041 4.309 4.350 -0.000 0.000 0.250 75 T C 1.369 176.243 174.700 0.290 0.000 1.041 75 T CA 0.372 62.674 62.100 0.336 0.000 1.010 75 T CB -0.070 68.942 68.868 0.239 0.000 1.003 75 T HN 0.722 nan 8.240 nan 0.000 0.499 76 T N 0.010 114.740 114.554 0.294 0.000 3.227 76 T HA 0.221 4.571 4.350 -0.000 0.000 0.257 76 T C 0.286 175.113 174.700 0.212 0.000 1.162 76 T CA -0.085 62.174 62.100 0.265 0.000 1.051 76 T CB -0.435 68.522 68.868 0.148 0.000 0.953 76 T HN 0.667 nan 8.240 nan 0.000 0.535 77 K N 0.217 120.754 120.400 0.229 0.000 2.610 77 K HA 0.292 4.612 4.320 -0.000 0.000 0.278 77 K C -1.801 174.915 176.600 0.193 0.000 0.964 77 K CA -0.876 55.521 56.287 0.183 0.000 0.859 77 K CB 1.680 34.281 32.500 0.168 0.000 1.434 77 K HN 0.044 nan 8.250 nan 0.000 0.410 78 R N 3.132 123.721 120.500 0.148 0.000 2.216 78 R HA 0.306 4.646 4.340 -0.000 0.000 0.332 78 R C -0.881 175.583 176.300 0.273 0.000 1.056 78 R CA -0.463 55.739 56.100 0.171 0.000 0.901 78 R CB 0.838 31.180 30.300 0.070 0.000 1.039 78 R HN 0.354 nan 8.270 nan 0.000 0.456 79 V N 6.218 126.370 119.914 0.396 0.000 2.567 79 V HA 0.111 4.231 4.120 -0.000 0.000 0.289 79 V C 0.449 176.791 176.094 0.414 0.000 1.049 79 V CA -0.436 62.072 62.300 0.347 0.000 0.969 79 V CB 1.289 33.250 31.823 0.231 0.000 0.995 79 V HN 0.737 nan 8.190 nan 0.000 0.471 80 F N 4.945 125.039 119.950 0.241 0.000 2.677 80 F HA -0.002 4.524 4.527 -0.000 0.000 0.358 80 F C 1.318 177.150 175.800 0.055 0.000 1.266 80 F CA -0.214 57.910 58.000 0.207 0.000 1.262 80 F CB -0.194 38.995 39.000 0.316 0.000 1.684 80 F HN 0.850 nan 8.300 nan 0.000 0.671 81 W N 4.715 126.005 121.300 -0.017 0.000 2.308 81 W HA -0.307 4.353 4.660 -0.000 0.000 0.301 81 W C 1.813 178.085 176.519 -0.413 0.000 1.220 81 W CA 1.842 59.023 57.345 -0.273 0.000 1.240 81 W CB -0.091 29.260 29.460 -0.183 0.000 1.142 81 W HN 0.465 nan 8.180 nan 0.000 0.521 82 K N 0.235 120.357 120.400 -0.463 0.000 1.987 82 K HA -0.183 4.137 4.320 -0.000 0.000 0.216 82 K C 2.335 178.365 176.600 -0.949 0.000 1.051 82 K CA 2.438 58.326 56.287 -0.665 0.000 0.942 82 K CB -1.115 31.218 32.500 -0.277 0.000 0.722 82 K HN 0.157 nan 8.250 nan 0.000 0.444 83 G N 0.486 108.397 108.800 -1.482 0.000 2.475 83 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 83 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 83 G C 1.476 176.043 174.900 -0.554 0.000 1.125 83 G CA 1.119 45.693 45.100 -0.877 0.000 0.755 83 G HN 0.243 nan 8.290 nan 0.000 0.565 84 V N 0.642 120.016 119.914 -0.899 0.000 2.237 84 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 84 V C 2.668 178.254 176.094 -0.848 0.000 1.046 84 V CA 1.681 63.410 62.300 -0.951 0.000 1.007 84 V CB -0.583 30.590 31.823 -1.083 0.000 0.638 84 V HN 0.388 nan 8.190 nan 0.000 0.445 85 L N -0.316 120.202 121.223 -1.175 0.000 1.994 85 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 85 L C 2.866 179.365 176.870 -0.617 0.000 1.071 85 L CA 1.756 55.970 54.840 -1.043 0.000 0.745 85 L CB -0.422 40.891 42.059 -1.243 0.000 0.892 85 L HN 0.365 nan 8.230 nan 0.000 0.431 86 E N -0.085 119.793 120.200 -0.536 0.000 2.118 86 E HA -0.312 4.038 4.350 -0.000 0.000 0.195 86 E C 1.859 178.290 176.600 -0.282 0.000 0.992 86 E CA 1.545 57.738 56.400 -0.345 0.000 0.804 86 E CB -0.167 29.337 29.700 -0.327 0.000 0.741 86 E HN 0.599 nan 8.360 nan 0.000 0.458 87 E N 0.710 120.709 120.200 -0.335 0.000 2.031 87 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 87 E C 2.359 178.695 176.600 -0.439 0.000 0.994 87 E CA 0.602 56.797 56.400 -0.342 0.000 0.800 87 E CB -0.163 29.380 29.700 -0.261 0.000 0.752 87 E HN 0.172 nan 8.360 nan 0.000 0.447 88 L N 0.457 121.479 121.223 -0.336 0.000 2.013 88 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 88 L C 2.499 179.331 176.870 -0.062 0.000 1.073 88 L CA 0.989 55.737 54.840 -0.152 0.000 0.753 88 L CB -0.235 41.692 42.059 -0.219 0.000 0.890 88 L HN 0.303 nan 8.230 nan 0.000 0.432 89 L N -1.246 119.913 121.223 -0.107 0.000 2.083 89 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 89 L C 2.068 178.975 176.870 0.063 0.000 1.083 89 L CA 1.800 56.637 54.840 -0.005 0.000 0.752 89 L CB -1.182 40.860 42.059 -0.029 0.000 0.899 89 L HN 0.459 nan 8.230 nan 0.000 0.433 90 W N -0.472 120.700 121.300 -0.214 0.000 2.358 90 W HA -0.255 4.405 4.660 -0.000 0.000 0.303 90 W C 2.333 178.775 176.519 -0.128 0.000 1.208 90 W CA 1.322 58.541 57.345 -0.209 0.000 1.274 90 W CB -0.456 28.796 29.460 -0.348 0.000 1.138 90 W HN 0.085 nan 8.180 nan 0.000 0.515 91 F N 0.431 120.257 119.950 -0.208 0.000 2.075 91 F HA -0.177 4.349 4.527 -0.000 0.000 0.297 91 F C 2.422 178.052 175.800 -0.283 0.000 1.113 91 F CA 1.500 59.202 58.000 -0.496 0.000 1.218 91 F CB -1.556 37.049 39.000 -0.657 0.000 0.984 91 F HN -0.193 nan 8.300 nan 0.000 0.472 92 I N 0.546 121.212 120.570 0.161 0.000 2.248 92 I HA -0.335 3.835 4.170 -0.000 0.000 0.248 92 I C 2.070 178.258 176.117 0.119 0.000 1.107 92 I CA 1.761 63.186 61.300 0.209 0.000 1.373 92 I CB -0.589 37.542 38.000 0.219 0.000 1.055 92 I HN 0.191 nan 8.210 nan 0.000 0.418 93 K N 1.390 121.829 120.400 0.065 0.000 2.522 93 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 93 K C 1.146 177.768 176.600 0.036 0.000 1.026 93 K CA 0.677 57.000 56.287 0.061 0.000 1.119 93 K CB -0.098 32.444 32.500 0.070 0.000 0.856 93 K HN 0.267 nan 8.250 nan 0.000 0.513 94 G N 1.318 110.107 108.800 -0.020 0.000 2.249 94 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.273 94 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.273 94 G C -0.060 174.796 174.900 -0.072 0.000 1.036 94 G CA 0.594 45.676 45.100 -0.031 0.000 0.824 94 G HN 0.518 nan 8.290 nan 0.000 0.504 95 S N -0.707 114.818 115.700 -0.292 0.000 2.584 95 S HA 0.654 5.124 4.470 -0.000 0.000 0.273 95 S C 1.306 175.555 174.600 -0.586 0.000 1.311 95 S CA 0.838 58.846 58.200 -0.321 0.000 1.034 95 S CB 1.028 64.058 63.200 -0.284 0.000 0.939 95 S HN 1.206 nan 8.310 nan 0.000 0.513 96 T N 0.902 115.328 114.554 -0.214 0.000 3.288 96 T HA 0.321 4.670 4.350 -0.000 0.000 0.293 96 T C -0.142 174.636 174.700 0.129 0.000 1.008 96 T CA -0.577 61.412 62.100 -0.184 0.000 0.929 96 T CB -0.909 67.880 68.868 -0.132 0.000 1.152 96 T HN 0.606 nan 8.240 nan 0.000 0.517 97 N N 0.454 119.355 118.700 0.335 0.000 2.476 97 N HA 0.548 5.288 4.740 -0.000 0.000 0.257 97 N C 1.436 177.240 175.510 0.490 0.000 0.970 97 N CA -0.224 53.052 53.050 0.376 0.000 0.938 97 N CB 1.183 39.828 38.487 0.263 0.000 1.144 97 N HN 0.205 nan 8.380 nan 0.000 0.500 98 A N 4.175 127.184 122.820 0.315 0.000 1.986 98 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 98 A C 1.923 179.482 177.584 -0.042 0.000 1.171 98 A CA 1.367 53.455 52.037 0.085 0.000 0.640 98 A CB -0.211 18.883 19.000 0.157 0.000 0.811 98 A HN 0.776 nan 8.150 nan 0.000 0.451 99 K N -0.519 119.910 120.400 0.049 0.000 2.147 99 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 99 K C 1.858 178.451 176.600 -0.011 0.000 1.049 99 K CA 1.465 57.762 56.287 0.016 0.000 0.936 99 K CB -0.154 32.376 32.500 0.050 0.000 0.722 99 K HN 0.620 nan 8.250 nan 0.000 0.446 100 E N 0.507 120.737 120.200 0.049 0.000 2.204 100 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 100 E C 1.748 178.273 176.600 -0.125 0.000 0.990 100 E CA 0.640 57.077 56.400 0.062 0.000 0.821 100 E CB 0.101 29.966 29.700 0.275 0.000 0.750 100 E HN 0.098 nan 8.360 nan 0.000 0.477 101 L N -0.264 120.697 121.223 -0.437 0.000 2.168 101 L HA 0.043 4.383 4.340 -0.000 0.000 0.203 101 L C 2.169 178.845 176.870 -0.324 0.000 1.078 101 L CA 1.257 55.719 54.840 -0.631 0.000 0.780 101 L CB -0.285 41.001 42.059 -1.289 0.000 0.939 101 L HN -0.106 nan 8.230 nan 0.000 0.451 102 S N -1.224 114.334 115.700 -0.237 0.000 2.469 102 S HA -0.139 4.330 4.470 -0.000 0.000 0.238 102 S C 1.933 176.487 174.600 -0.077 0.000 0.998 102 S CA 1.375 59.503 58.200 -0.120 0.000 0.957 102 S CB -0.261 62.896 63.200 -0.073 0.000 0.764 102 S HN 0.619 nan 8.310 nan 0.000 0.514 103 S N 0.840 116.492 115.700 -0.080 0.000 2.453 103 S HA 0.106 4.576 4.470 -0.000 0.000 0.231 103 S C 1.504 176.079 174.600 -0.042 0.000 1.005 103 S CA 0.529 58.704 58.200 -0.042 0.000 0.949 103 S CB -0.019 63.166 63.200 -0.025 0.000 0.774 103 S HN 0.383 nan 8.310 nan 0.000 0.510 104 K N 0.608 120.964 120.400 -0.072 0.000 2.404 104 K HA 0.288 4.608 4.320 -0.000 0.000 0.194 104 K C 1.209 177.785 176.600 -0.039 0.000 1.023 104 K CA 0.473 56.722 56.287 -0.064 0.000 1.094 104 K CB -0.115 32.322 32.500 -0.104 0.000 0.841 104 K HN 0.395 nan 8.250 nan 0.000 0.523 105 G N 0.708 109.495 108.800 -0.022 0.000 2.131 105 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.223 105 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.223 105 G C -0.172 174.779 174.900 0.086 0.000 0.990 105 G CA 0.039 45.159 45.100 0.034 0.000 0.671 105 G HN 0.097 nan 8.290 nan 0.000 0.521 106 V N 1.725 121.639 119.914 0.001 0.000 2.284 106 V HA 0.366 4.486 4.120 -0.000 0.000 0.274 106 V C 0.918 176.993 176.094 -0.031 0.000 1.023 106 V CA -0.730 61.580 62.300 0.016 0.000 0.808 106 V CB 1.372 33.104 31.823 -0.152 0.000 1.035 106 V HN 0.204 nan 8.190 nan 0.000 0.445 107 K N 3.601 124.017 120.400 0.026 0.000 2.444 107 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 107 K C 1.797 178.365 176.600 -0.053 0.000 1.024 107 K CA 0.455 56.728 56.287 -0.023 0.000 1.077 107 K CB -0.020 32.471 32.500 -0.015 0.000 0.833 107 K HN 0.855 nan 8.250 nan 0.000 0.517 108 I N -3.058 117.472 120.570 -0.067 0.000 2.367 108 I HA -0.237 3.933 4.170 -0.000 0.000 0.256 108 I C 1.318 177.256 176.117 -0.298 0.000 1.132 108 I CA 1.609 62.789 61.300 -0.200 0.000 1.397 108 I CB -0.406 37.424 38.000 -0.283 0.000 1.074 108 I HN 0.033 nan 8.210 nan 0.000 0.435 109 W N 1.284 122.483 121.300 -0.167 0.000 3.107 109 W HA 0.134 4.793 4.660 -0.000 0.000 0.293 109 W C 1.924 178.395 176.519 -0.080 0.000 1.239 109 W CA 0.024 57.305 57.345 -0.106 0.000 1.653 109 W CB -0.027 29.363 29.460 -0.116 0.000 1.068 109 W HN 0.060 nan 8.180 nan 0.000 0.615 110 D N 0.779 121.222 120.400 0.071 0.000 2.133 110 D HA -0.279 4.360 4.640 -0.000 0.000 0.192 110 D C 2.220 178.534 176.300 0.024 0.000 1.001 110 D CA 2.196 56.224 54.000 0.047 0.000 0.844 110 D CB -0.982 39.819 40.800 0.003 0.000 0.944 110 D HN 0.110 nan 8.370 nan 0.000 0.447 111 A N 0.974 123.761 122.820 -0.055 0.000 1.884 111 A HA -0.277 4.042 4.320 -0.000 0.000 0.219 111 A C 1.869 179.342 177.584 -0.185 0.000 1.197 111 A CA 2.193 54.153 52.037 -0.129 0.000 0.637 111 A CB -1.004 17.868 19.000 -0.214 0.000 0.827 111 A HN 0.290 nan 8.150 nan 0.000 0.450 112 N N -0.512 118.080 118.700 -0.180 0.000 2.521 112 N HA 0.155 4.895 4.740 -0.000 0.000 0.188 112 N C 1.158 176.808 175.510 0.233 0.000 1.146 112 N CA 0.768 53.709 53.050 -0.183 0.000 0.893 112 N CB 0.033 38.535 38.487 0.024 0.000 0.975 112 N HN 0.487 nan 8.380 nan 0.000 0.451 113 G N -0.582 108.342 108.800 0.206 0.000 3.192 113 G HA2 0.005 3.965 3.960 -0.000 0.000 0.239 113 G HA3 0.005 3.965 3.960 -0.000 0.000 0.239 113 G C 0.444 175.464 174.900 0.200 0.000 1.084 113 G CA -0.223 45.023 45.100 0.243 0.000 0.784 113 G HN 0.327 nan 8.290 nan 0.000 0.540 114 S N -0.284 115.521 115.700 0.175 0.000 2.592 114 S HA 0.191 4.661 4.470 -0.000 0.000 0.256 114 S C 1.521 176.221 174.600 0.167 0.000 1.369 114 S CA -0.185 58.102 58.200 0.145 0.000 0.984 114 S CB 1.270 64.544 63.200 0.123 0.000 0.919 114 S HN 0.103 nan 8.310 nan 0.000 0.576 115 R N 0.607 121.180 120.500 0.121 0.000 2.062 115 R HA -0.025 4.315 4.340 -0.000 0.000 0.226 115 R C 1.831 178.191 176.300 0.099 0.000 1.125 115 R CA 1.834 57.995 56.100 0.103 0.000 0.966 115 R CB -1.222 29.121 30.300 0.072 0.000 0.861 115 R HN 0.818 nan 8.270 nan 0.000 0.433 116 D N -0.168 120.291 120.400 0.100 0.000 2.104 116 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 116 D C 1.575 177.937 176.300 0.103 0.000 0.994 116 D CA 1.316 55.367 54.000 0.086 0.000 0.830 116 D CB -0.179 40.673 40.800 0.088 0.000 0.959 116 D HN 0.082 nan 8.370 nan 0.000 0.452 117 F N 0.459 120.415 119.950 0.010 0.000 2.113 117 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 117 F C 1.845 177.635 175.800 -0.018 0.000 1.103 117 F CA 0.797 58.797 58.000 -0.000 0.000 1.248 117 F CB -0.213 38.804 39.000 0.028 0.000 0.999 117 F HN -0.098 nan 8.300 nan 0.000 0.475 118 L N 0.321 121.626 121.223 0.136 0.000 2.042 118 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 118 L C 2.138 178.957 176.870 -0.086 0.000 1.076 118 L CA 1.843 56.731 54.840 0.080 0.000 0.749 118 L CB -1.080 41.110 42.059 0.218 0.000 0.893 118 L HN 0.110 nan 8.230 nan 0.000 0.432 119 D N -1.253 119.122 120.400 -0.042 0.000 2.178 119 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 119 D C 2.284 178.483 176.300 -0.168 0.000 0.974 119 D CA 1.463 55.422 54.000 -0.069 0.000 0.841 119 D CB -0.025 40.765 40.800 -0.017 0.000 0.953 119 D HN 0.440 nan 8.370 nan 0.000 0.478 120 S N 0.262 115.824 115.700 -0.231 0.000 2.442 120 S HA -0.067 4.403 4.470 -0.000 0.000 0.236 120 S C 2.010 176.374 174.600 -0.394 0.000 1.007 120 S CA 0.486 58.520 58.200 -0.277 0.000 0.965 120 S CB -0.420 62.601 63.200 -0.300 0.000 0.773 120 S HN 0.253 nan 8.310 nan 0.000 0.504 121 L N 0.690 121.563 121.223 -0.584 0.000 2.592 121 L HA 0.349 4.688 4.340 -0.000 0.000 0.227 121 L C 1.792 178.212 176.870 -0.750 0.000 1.127 121 L CA 0.347 54.704 54.840 -0.805 0.000 0.884 121 L CB -0.536 40.734 42.059 -1.314 0.000 1.065 121 L HN 0.582 nan 8.230 nan 0.000 0.457 122 G N -0.028 108.522 108.800 -0.417 0.000 2.141 122 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.242 122 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.242 122 G C 0.340 175.310 174.900 0.117 0.000 0.982 122 G CA -0.334 44.685 45.100 -0.135 0.000 0.662 122 G HN 0.391 nan 8.290 nan 0.000 0.527 123 F N 2.340 122.269 119.950 -0.034 0.000 2.949 123 F HA 0.184 4.711 4.527 -0.000 0.000 0.291 123 F C 2.242 178.042 175.800 0.000 0.000 1.214 123 F CA -0.076 57.917 58.000 -0.011 0.000 1.381 123 F CB 0.215 39.215 39.000 -0.001 0.000 1.066 123 F HN 0.303 nan 8.300 nan 0.000 0.520 124 S N -0.915 114.879 115.700 0.157 0.000 2.387 124 S HA -0.264 4.206 4.470 -0.000 0.000 0.230 124 S C 2.138 176.786 174.600 0.081 0.000 1.035 124 S CA 1.915 60.170 58.200 0.091 0.000 1.014 124 S CB -1.045 62.187 63.200 0.053 0.000 0.836 124 S HN 0.583 nan 8.310 nan 0.000 0.466 125 T N -0.557 114.042 114.554 0.076 0.000 3.035 125 T HA 0.050 4.400 4.350 -0.000 0.000 0.268 125 T C 0.827 175.550 174.700 0.037 0.000 1.109 125 T CA -0.002 62.123 62.100 0.042 0.000 1.119 125 T CB -0.453 68.429 68.868 0.023 0.000 0.900 125 T HN 0.474 nan 8.240 nan 0.000 0.503 126 R N 1.523 122.061 120.500 0.063 0.000 2.539 126 R HA 0.185 4.525 4.340 -0.000 0.000 0.275 126 R C -0.473 175.868 176.300 0.069 0.000 1.077 126 R CA -0.328 55.802 56.100 0.051 0.000 1.097 126 R CB 0.459 30.798 30.300 0.066 0.000 1.018 126 R HN 0.430 nan 8.270 nan 0.000 0.483 127 E N 2.166 122.397 120.200 0.053 0.000 2.331 127 E HA -0.022 4.328 4.350 -0.000 0.000 0.272 127 E C -0.624 176.028 176.600 0.087 0.000 1.036 127 E CA -0.255 56.180 56.400 0.059 0.000 0.864 127 E CB 1.024 30.748 29.700 0.041 0.000 1.035 127 E HN 0.512 nan 8.360 nan 0.000 0.408 128 E N 0.735 120.988 120.200 0.088 0.000 2.465 128 E HA 0.004 4.354 4.350 -0.000 0.000 0.260 128 E C 0.656 177.322 176.600 0.111 0.000 0.980 128 E CA 0.948 57.412 56.400 0.106 0.000 0.927 128 E CB 0.119 29.871 29.700 0.087 0.000 0.934 128 E HN 0.750 nan 8.360 nan 0.000 0.459 129 G N 4.245 113.130 108.800 0.141 0.000 2.238 129 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 129 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 129 G C -0.012 174.995 174.900 0.177 0.000 0.996 129 G CA 0.031 45.222 45.100 0.152 0.000 0.632 129 G HN 0.668 nan 8.290 nan 0.000 0.503 130 D N 1.367 121.863 120.400 0.160 0.000 2.374 130 D HA 0.440 5.080 4.640 -0.000 0.000 0.240 130 D C 1.816 178.212 176.300 0.160 0.000 1.229 130 D CA -0.344 53.748 54.000 0.153 0.000 0.895 130 D CB 0.251 41.123 40.800 0.120 0.000 1.046 130 D HN 0.265 nan 8.370 nan 0.000 0.498 131 L N 2.957 124.267 121.223 0.144 0.000 2.465 131 L HA 0.178 4.518 4.340 -0.000 0.000 0.224 131 L C 1.604 178.458 176.870 -0.026 0.000 1.145 131 L CA 0.495 55.410 54.840 0.124 0.000 0.834 131 L CB -0.686 41.433 42.059 0.101 0.000 0.944 131 L HN 0.657 nan 8.230 nan 0.000 0.451 132 G N 0.298 109.013 108.800 -0.142 0.000 2.582 132 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.222 132 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.222 132 G C -2.603 171.652 174.900 -1.075 0.000 1.311 132 G CA -0.425 44.371 45.100 -0.505 0.000 0.915 132 G HN -0.014 nan 8.290 nan 0.000 0.528 133 P HA 0.360 nan 4.420 nan 0.000 0.230 133 P C 0.782 177.750 177.300 -0.554 0.000 1.791 133 P CA 0.643 62.978 63.100 -1.274 0.000 1.020 133 P CB -0.150 30.855 31.700 -1.158 0.000 1.977 134 V N -0.707 118.918 119.914 -0.483 0.000 3.653 134 V HA 0.250 4.370 4.120 -0.000 0.000 0.281 134 V C 1.542 177.365 176.094 -0.452 0.000 1.132 134 V CA -0.490 61.518 62.300 -0.487 0.000 0.915 134 V CB -0.860 30.654 31.823 -0.514 0.000 1.241 134 V HN 0.071 nan 8.190 nan 0.000 0.441 135 Y N 1.421 121.439 120.300 -0.470 0.000 1.987 135 Y HA -0.329 4.221 4.550 -0.000 0.000 0.222 135 Y C 2.749 178.089 175.900 -0.934 0.000 1.222 135 Y CA 3.054 60.640 58.100 -0.856 0.000 1.007 135 Y CB -1.889 35.732 38.460 -1.399 0.000 0.811 135 Y HN 0.785 nan 8.280 nan 0.000 0.530 136 G N -1.275 107.189 108.800 -0.559 0.000 2.514 136 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.217 136 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.217 136 G C 1.674 176.487 174.900 -0.145 0.000 1.198 136 G CA 1.137 46.002 45.100 -0.390 0.000 0.780 136 G HN 0.476 nan 8.290 nan 0.000 0.565 137 F N 1.126 120.929 119.950 -0.245 0.000 2.161 137 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 137 F C 2.966 178.720 175.800 -0.078 0.000 1.089 137 F CA 2.006 59.922 58.000 -0.141 0.000 1.282 137 F CB 0.141 38.962 39.000 -0.297 0.000 1.010 137 F HN 0.103 nan 8.300 nan 0.000 0.485 138 Q N -0.857 118.895 119.800 -0.080 0.000 2.187 138 Q HA -0.164 4.176 4.340 -0.000 0.000 0.199 138 Q C 1.995 178.140 176.000 0.241 0.000 0.957 138 Q CA 1.164 56.974 55.803 0.012 0.000 0.857 138 Q CB -0.802 28.010 28.738 0.123 0.000 0.929 138 Q HN 0.536 nan 8.270 nan 0.000 0.453 139 W N 1.344 122.605 121.300 -0.064 0.000 2.388 139 W HA -0.068 4.592 4.660 -0.000 0.000 0.294 139 W C 1.889 178.330 176.519 -0.130 0.000 1.212 139 W CA 0.708 58.029 57.345 -0.041 0.000 1.271 139 W CB -0.077 29.366 29.460 -0.027 0.000 1.126 139 W HN 0.126 nan 8.180 nan 0.000 0.535 140 R N -1.561 118.903 120.500 -0.061 0.000 2.307 140 R HA 0.101 4.441 4.340 -0.000 0.000 0.200 140 R C 0.122 175.974 176.300 -0.747 0.000 0.893 140 R CA 0.660 56.510 56.100 -0.416 0.000 1.042 140 R CB -0.413 29.543 30.300 -0.574 0.000 1.059 140 R HN 0.278 nan 8.270 nan 0.000 0.530 141 H N -0.948 117.960 119.070 -0.270 0.000 2.924 141 H HA 0.128 4.684 4.556 -0.000 0.000 0.229 141 H C 0.567 175.615 175.328 -0.468 0.000 1.345 141 H CA -0.827 54.976 56.048 -0.409 0.000 1.044 141 H CB -0.299 29.044 29.762 -0.697 0.000 2.221 141 H HN -0.053 nan 8.280 nan 0.000 0.574 142 F N 2.412 122.212 119.950 -0.249 0.000 2.048 142 F HA -0.295 4.232 4.527 -0.000 0.000 0.296 142 F C 2.385 178.118 175.800 -0.111 0.000 1.109 142 F CA 2.545 60.448 58.000 -0.162 0.000 1.214 142 F CB -0.246 38.717 39.000 -0.062 0.000 0.963 142 F HN 0.358 nan 8.300 nan 0.000 0.491 143 G N -0.376 108.529 108.800 0.176 0.000 2.443 143 G HA2 0.047 4.007 3.960 -0.000 0.000 0.219 143 G HA3 0.047 4.007 3.960 -0.000 0.000 0.219 143 G C 0.810 175.726 174.900 0.027 0.000 1.131 143 G CA 0.365 45.530 45.100 0.108 0.000 0.775 143 G HN 0.705 nan 8.290 nan 0.000 0.547 144 A N 0.431 123.248 122.820 -0.004 0.000 2.613 144 A HA 0.287 4.607 4.320 -0.000 0.000 0.230 144 A C 0.408 178.138 177.584 0.244 0.000 1.051 144 A CA 0.384 52.482 52.037 0.102 0.000 0.754 144 A CB 0.103 19.122 19.000 0.032 0.000 0.979 144 A HN 0.379 nan 8.150 nan 0.000 0.510 145 E N 1.417 121.764 120.200 0.245 0.000 2.089 145 E HA 0.348 4.698 4.350 -0.000 0.000 0.284 145 E C -0.828 175.922 176.600 0.250 0.000 1.023 145 E CA -0.370 56.146 56.400 0.194 0.000 0.819 145 E CB 0.147 29.915 29.700 0.113 0.000 1.076 145 E HN 0.471 nan 8.360 nan 0.000 0.396 146 Y N 4.513 124.794 120.300 -0.031 0.000 2.497 146 Y HA 0.134 4.684 4.550 -0.000 0.000 0.334 146 Y C 0.757 176.599 175.900 -0.097 0.000 1.199 146 Y CA 0.584 58.501 58.100 -0.306 0.000 1.425 146 Y CB 0.696 38.752 38.460 -0.675 0.000 1.291 146 Y HN 0.691 nan 8.280 nan 0.000 0.562 147 R N 1.278 121.371 120.500 -0.678 0.000 2.242 147 R HA 0.232 4.572 4.340 -0.000 0.000 0.138 147 R C -0.915 174.895 176.300 -0.816 0.000 2.004 147 R CA 0.275 56.073 56.100 -0.504 0.000 1.618 147 R CB 0.167 30.295 30.300 -0.286 0.000 1.371 147 R HN 0.751 nan 8.270 nan 0.000 0.480 148 D N -0.625 119.341 120.400 -0.723 0.000 2.579 148 D HA 0.081 4.721 4.640 -0.000 0.000 0.257 148 D C 0.523 176.654 176.300 -0.282 0.000 1.176 148 D CA -0.726 52.970 54.000 -0.507 0.000 0.914 148 D CB 0.606 41.269 40.800 -0.228 0.000 1.431 148 D HN 0.235 nan 8.370 nan 0.000 0.454 149 M N -1.400 118.197 119.600 -0.006 0.000 2.706 149 M HA 0.019 4.499 4.480 -0.000 0.000 0.253 149 M C -0.061 176.293 176.300 0.090 0.000 1.063 149 M CA 1.420 56.802 55.300 0.137 0.000 1.067 149 M CB -0.310 32.377 32.600 0.146 0.000 1.423 149 M HN 0.418 nan 8.290 nan 0.000 0.530 150 E N 0.209 120.407 120.200 -0.004 0.000 2.601 150 E HA 0.225 4.575 4.350 -0.000 0.000 0.219 150 E C -0.222 176.306 176.600 -0.120 0.000 0.964 150 E CA -0.316 56.068 56.400 -0.026 0.000 1.050 150 E CB 0.872 30.554 29.700 -0.030 0.000 1.068 150 E HN 0.419 nan 8.360 nan 0.000 0.496 151 S N 1.438 116.992 115.700 -0.245 0.000 2.584 151 S HA 0.028 4.497 4.470 -0.000 0.000 0.270 151 S C -0.031 174.172 174.600 -0.663 0.000 1.346 151 S CA -0.203 57.685 58.200 -0.520 0.000 1.018 151 S CB 0.651 63.368 63.200 -0.805 0.000 0.899 151 S HN 0.123 nan 8.310 nan 0.000 0.542 152 D N 0.203 120.251 120.400 -0.587 0.000 2.380 152 D HA 0.237 4.877 4.640 -0.000 0.000 0.230 152 D C -0.555 175.432 176.300 -0.522 0.000 1.154 152 D CA -0.214 53.544 54.000 -0.402 0.000 0.859 152 D CB 0.156 40.827 40.800 -0.214 0.000 1.045 152 D HN 0.465 nan 8.370 nan 0.000 0.495 153 Y N 1.119 121.333 120.300 -0.143 0.000 2.449 153 Y HA 0.097 4.647 4.550 -0.000 0.000 0.254 153 Y C 1.344 177.040 175.900 -0.340 0.000 1.140 153 Y CA -0.309 57.591 58.100 -0.333 0.000 1.272 153 Y CB -0.300 37.765 38.460 -0.657 0.000 1.114 153 Y HN 0.282 nan 8.280 nan 0.000 0.525 154 S N 0.327 116.028 115.700 0.001 0.000 2.573 154 S HA 0.229 4.699 4.470 -0.000 0.000 0.297 154 S C 1.616 176.277 174.600 0.102 0.000 1.280 154 S CA 0.472 58.752 58.200 0.133 0.000 1.061 154 S CB 0.422 63.679 63.200 0.096 0.000 0.812 154 S HN 0.903 nan 8.310 nan 0.000 0.500 155 G N 2.172 111.063 108.800 0.152 0.000 2.205 155 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.261 155 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.261 155 G C -0.123 174.846 174.900 0.114 0.000 0.980 155 G CA 0.438 45.602 45.100 0.106 0.000 0.632 155 G HN 0.895 nan 8.290 nan 0.000 0.533 156 Q N -0.060 119.828 119.800 0.146 0.000 2.235 156 Q HA 0.546 4.886 4.340 -0.000 0.000 0.256 156 Q C 0.731 176.844 176.000 0.188 0.000 0.951 156 Q CA -0.232 55.650 55.803 0.132 0.000 0.890 156 Q CB 1.896 30.696 28.738 0.104 0.000 1.279 156 Q HN 1.566 nan 8.270 nan 0.000 0.444 157 G N 0.150 109.023 108.800 0.121 0.000 2.888 157 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.441 157 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.441 157 G C -0.595 174.365 174.900 0.100 0.000 1.461 157 G CA -0.330 44.831 45.100 0.101 0.000 0.897 157 G HN 0.767 nan 8.290 nan 0.000 0.547 158 V N -0.316 119.654 119.914 0.093 0.000 2.509 158 V HA 0.627 4.747 4.120 -0.000 0.000 0.284 158 V C 0.151 176.250 176.094 0.009 0.000 1.047 158 V CA 0.135 62.466 62.300 0.051 0.000 0.952 158 V CB 1.751 33.596 31.823 0.037 0.000 0.988 158 V HN 0.931 nan 8.190 nan 0.000 0.469 159 D N 4.425 124.814 120.400 -0.020 0.000 2.479 159 D HA 0.272 4.912 4.640 -0.000 0.000 0.218 159 D C 1.006 177.284 176.300 -0.035 0.000 1.131 159 D CA 0.124 54.090 54.000 -0.056 0.000 0.916 159 D CB 1.302 42.071 40.800 -0.052 0.000 1.022 159 D HN 0.760 nan 8.370 nan 0.000 0.515 160 Q N 1.724 121.507 119.800 -0.028 0.000 2.124 160 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 160 Q C 1.701 177.663 176.000 -0.063 0.000 0.977 160 Q CA 0.785 56.560 55.803 -0.047 0.000 0.850 160 Q CB 0.181 28.888 28.738 -0.052 0.000 0.901 160 Q HN 0.435 nan 8.270 nan 0.000 0.429 161 L N 1.134 122.323 121.223 -0.056 0.000 1.970 161 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 161 L C 2.419 179.253 176.870 -0.060 0.000 1.071 161 L CA 2.096 56.895 54.840 -0.068 0.000 0.751 161 L CB -0.692 41.374 42.059 0.011 0.000 0.889 161 L HN 0.130 nan 8.230 nan 0.000 0.432 162 Q N -0.445 119.335 119.800 -0.034 0.000 2.096 162 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 162 Q C 2.398 178.371 176.000 -0.044 0.000 0.982 162 Q CA 1.801 57.585 55.803 -0.032 0.000 0.850 162 Q CB -0.284 28.444 28.738 -0.018 0.000 0.901 162 Q HN 0.353 nan 8.270 nan 0.000 0.422 163 R N -0.823 119.651 120.500 -0.043 0.000 2.096 163 R HA -0.121 4.218 4.340 -0.000 0.000 0.240 163 R C 2.152 178.419 176.300 -0.054 0.000 1.139 163 R CA 1.622 57.697 56.100 -0.042 0.000 0.952 163 R CB -0.939 29.337 30.300 -0.039 0.000 0.854 163 R HN 0.232 nan 8.270 nan 0.000 0.436 164 V N 0.689 120.558 119.914 -0.075 0.000 2.233 164 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 164 V C 2.273 178.284 176.094 -0.139 0.000 1.050 164 V CA 2.297 64.530 62.300 -0.110 0.000 1.010 164 V CB -0.463 31.246 31.823 -0.190 0.000 0.637 164 V HN 0.339 nan 8.190 nan 0.000 0.444 165 I N 0.205 120.688 120.570 -0.145 0.000 2.113 165 I HA -0.348 3.821 4.170 -0.000 0.000 0.242 165 I C 2.299 178.371 176.117 -0.075 0.000 1.057 165 I CA 2.109 63.340 61.300 -0.115 0.000 1.314 165 I CB -0.678 37.279 38.000 -0.072 0.000 1.022 165 I HN 0.379 nan 8.210 nan 0.000 0.408 166 D N 0.255 120.621 120.400 -0.056 0.000 2.144 166 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 166 D C 2.216 178.493 176.300 -0.039 0.000 0.984 166 D CA 1.618 55.594 54.000 -0.040 0.000 0.834 166 D CB -0.339 40.442 40.800 -0.031 0.000 0.955 166 D HN 0.364 nan 8.370 nan 0.000 0.465 167 T N 1.094 115.622 114.554 -0.043 0.000 2.777 167 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 167 T C 2.265 176.942 174.700 -0.037 0.000 1.040 167 T CA 0.397 62.477 62.100 -0.034 0.000 1.141 167 T CB -0.111 68.742 68.868 -0.026 0.000 0.868 167 T HN 0.158 nan 8.240 nan 0.000 0.444 168 I N 0.761 121.300 120.570 -0.052 0.000 2.264 168 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 168 I C 2.561 178.652 176.117 -0.043 0.000 1.111 168 I CA 1.368 62.637 61.300 -0.051 0.000 1.382 168 I CB -0.274 37.678 38.000 -0.080 0.000 1.060 168 I HN 0.197 nan 8.210 nan 0.000 0.418 169 K N -0.018 120.358 120.400 -0.041 0.000 2.155 169 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 169 K C 2.029 178.612 176.600 -0.029 0.000 1.052 169 K CA 1.898 58.165 56.287 -0.032 0.000 0.948 169 K CB -0.044 32.439 32.500 -0.029 0.000 0.728 169 K HN 0.477 nan 8.250 nan 0.000 0.448 170 T N -2.740 111.797 114.554 -0.029 0.000 3.015 170 T HA 0.044 4.394 4.350 -0.000 0.000 0.250 170 T C 0.517 175.201 174.700 -0.026 0.000 1.057 170 T CA 0.062 62.147 62.100 -0.025 0.000 1.066 170 T CB 0.173 69.028 68.868 -0.022 0.000 0.959 170 T HN -0.047 nan 8.240 nan 0.000 0.488 171 N N 1.663 120.345 118.700 -0.030 0.000 2.785 171 N HA 0.291 5.031 4.740 -0.000 0.000 0.224 171 N C -2.528 172.958 175.510 -0.041 0.000 1.448 171 N CA -1.621 51.410 53.050 -0.032 0.000 0.748 171 N CB 1.477 39.949 38.487 -0.026 0.000 1.385 171 N HN -0.073 nan 8.380 nan 0.000 0.538 172 P HA -0.037 nan 4.420 nan 0.000 0.229 172 P C -0.172 177.062 177.300 -0.110 0.000 1.150 172 P CA 0.872 63.929 63.100 -0.071 0.000 0.765 172 P CB 0.482 32.139 31.700 -0.072 0.000 0.783 173 D N -0.649 119.697 120.400 -0.089 0.000 2.333 173 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 173 D C 0.716 176.974 176.300 -0.069 0.000 0.984 173 D CA 0.344 54.283 54.000 -0.102 0.000 0.873 173 D CB -0.454 40.305 40.800 -0.068 0.000 0.935 173 D HN 0.201 nan 8.370 nan 0.000 0.521 174 D N 1.519 121.893 120.400 -0.043 0.000 2.658 174 D HA -0.117 4.522 4.640 -0.000 0.000 0.230 174 D C 0.631 176.934 176.300 0.004 0.000 1.118 174 D CA 0.313 54.303 54.000 -0.016 0.000 0.848 174 D CB 0.616 41.410 40.800 -0.009 0.000 1.160 174 D HN 0.071 nan 8.370 nan 0.000 0.497 175 R N 3.251 123.761 120.500 0.018 0.000 2.391 175 R HA 0.120 4.460 4.340 -0.000 0.000 0.249 175 R C 0.606 176.933 176.300 0.045 0.000 0.957 175 R CA 0.055 56.182 56.100 0.045 0.000 1.093 175 R CB 0.443 30.768 30.300 0.041 0.000 1.156 175 R HN 0.276 nan 8.270 nan 0.000 0.526 176 R N 0.310 120.832 120.500 0.037 0.000 2.590 176 R HA 0.276 4.616 4.340 -0.000 0.000 0.410 176 R C -0.151 176.176 176.300 0.044 0.000 1.010 176 R CA -0.189 55.929 56.100 0.030 0.000 1.155 176 R CB 0.679 30.984 30.300 0.009 0.000 1.455 176 R HN 0.058 nan 8.270 nan 0.000 0.567 177 I N 2.509 123.126 120.570 0.079 0.000 2.455 177 I HA 0.084 4.254 4.170 -0.000 0.000 0.303 177 I C -0.084 176.136 176.117 0.172 0.000 1.180 177 I CA 0.730 62.101 61.300 0.119 0.000 1.469 177 I CB -0.285 37.814 38.000 0.164 0.000 1.480 177 I HN 0.057 nan 8.210 nan 0.000 0.669 178 I N 5.730 126.361 120.570 0.102 0.000 2.646 178 I HA 0.470 4.640 4.170 -0.000 0.000 0.299 178 I C -0.358 175.789 176.117 0.049 0.000 1.036 178 I CA -0.755 60.592 61.300 0.079 0.000 1.074 178 I CB 2.465 40.478 38.000 0.022 0.000 1.258 178 I HN 0.474 nan 8.210 nan 0.000 0.430 179 M N 6.692 126.318 119.600 0.042 0.000 2.106 179 M HA 0.432 4.912 4.480 -0.000 0.000 0.288 179 M C -1.732 174.568 176.300 0.001 0.000 0.941 179 M CA -0.232 55.045 55.300 -0.039 0.000 0.934 179 M CB 1.368 33.880 32.600 -0.146 0.000 1.551 179 M HN 0.713 nan 8.290 nan 0.000 0.437 180 C N 4.314 123.638 119.300 0.040 0.000 2.319 180 C HA 0.835 5.295 4.460 -0.000 0.000 0.323 180 C C 1.135 176.329 174.990 0.340 0.000 1.277 180 C CA 0.005 59.123 59.018 0.168 0.000 1.517 180 C CB 0.484 28.284 27.740 0.100 0.000 2.206 180 C HN 1.032 nan 8.230 nan 0.000 0.486 181 A N 5.313 128.394 122.820 0.435 0.000 2.095 181 A HA 0.165 4.484 4.320 -0.000 0.000 0.212 181 A C 0.952 178.738 177.584 0.337 0.000 1.162 181 A CA -0.162 52.141 52.037 0.443 0.000 0.753 181 A CB -0.201 19.085 19.000 0.476 0.000 0.840 181 A HN 0.918 nan 8.150 nan 0.000 0.468 182 W N 2.273 123.703 121.300 0.217 0.000 2.565 182 W HA 0.173 4.833 4.660 0.000 0.000 0.325 182 W C -0.689 175.962 176.519 0.220 0.000 1.408 182 W CA 0.084 57.527 57.345 0.163 0.000 1.350 182 W CB 0.259 29.811 29.460 0.154 0.000 1.426 182 W HN 0.225 nan 8.180 nan 0.000 0.538 183 N N 8.104 126.623 118.700 -0.302 0.000 2.776 183 N HA 0.188 4.927 4.740 -0.000 0.000 0.245 183 N C -1.816 173.483 175.510 -0.353 0.000 1.121 183 N CA -1.885 51.023 53.050 -0.236 0.000 0.852 183 N CB 1.263 39.450 38.487 -0.501 0.000 1.142 183 N HN 0.075 nan 8.380 nan 0.000 0.514 184 P HA -0.240 nan 4.420 nan 0.000 0.222 184 P C 1.233 178.462 177.300 -0.119 0.000 1.155 184 P CA 1.473 64.508 63.100 -0.108 0.000 0.890 184 P CB 0.350 32.105 31.700 0.092 0.000 0.790 185 R N -0.670 119.767 120.500 -0.105 0.000 2.115 185 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 185 R C 1.283 177.501 176.300 -0.137 0.000 1.100 185 R CA 1.574 57.618 56.100 -0.093 0.000 0.980 185 R CB -0.412 29.849 30.300 -0.065 0.000 0.875 185 R HN 0.096 nan 8.270 nan 0.000 0.445 186 D N -0.020 120.251 120.400 -0.215 0.000 2.346 186 D HA -0.038 4.602 4.640 -0.000 0.000 0.206 186 D C 1.614 177.765 176.300 -0.247 0.000 1.001 186 D CA 0.155 54.017 54.000 -0.231 0.000 0.871 186 D CB 0.140 40.771 40.800 -0.280 0.000 0.943 186 D HN 0.103 nan 8.370 nan 0.000 0.518 187 L N 1.290 122.343 121.223 -0.284 0.000 2.030 187 L HA -0.200 4.140 4.340 -0.000 0.000 0.222 187 L C -0.611 176.185 176.870 -0.124 0.000 1.082 187 L CA 2.130 56.808 54.840 -0.271 0.000 0.785 187 L CB -1.952 39.935 42.059 -0.287 0.000 0.895 187 L HN 0.081 nan 8.230 nan 0.000 0.439 188 P HA -0.143 nan 4.420 nan 0.000 0.222 188 P C 1.366 178.715 177.300 0.082 0.000 1.142 188 P CA 1.227 64.341 63.100 0.023 0.000 0.788 188 P CB -0.004 31.701 31.700 0.009 0.000 0.767 189 L N -3.272 117.914 121.223 -0.062 0.000 2.728 189 L HA 0.254 4.594 4.340 -0.000 0.000 0.238 189 L C 0.745 177.500 176.870 -0.191 0.000 1.143 189 L CA -0.190 54.516 54.840 -0.225 0.000 0.937 189 L CB -0.257 41.625 42.059 -0.295 0.000 1.225 189 L HN -0.033 nan 8.230 nan 0.000 0.507 190 M N -0.231 119.346 119.600 -0.038 0.000 2.233 190 M HA 0.326 4.806 4.480 -0.000 0.000 0.355 190 M C 1.323 177.760 176.300 0.228 0.000 1.191 190 M CA -0.198 55.088 55.300 -0.023 0.000 1.101 190 M CB 1.803 34.321 32.600 -0.136 0.000 1.592 190 M HN 0.029 nan 8.290 nan 0.000 0.461 191 A N 3.768 126.758 122.820 0.283 0.000 2.067 191 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 191 A C 0.685 178.510 177.584 0.401 0.000 1.158 191 A CA 1.065 53.352 52.037 0.415 0.000 0.661 191 A CB 0.263 19.542 19.000 0.464 0.000 0.801 191 A HN 0.690 nan 8.150 nan 0.000 0.452 192 L N -0.540 120.864 121.223 0.301 0.000 2.973 192 L HA 0.299 4.639 4.340 -0.000 0.000 0.254 192 L C -3.181 173.805 176.870 0.193 0.000 0.947 192 L CA -1.219 53.805 54.840 0.308 0.000 1.064 192 L CB 1.502 43.819 42.059 0.430 0.000 1.534 192 L HN -0.045 nan 8.230 nan 0.000 0.504 193 P HA 0.131 nan 4.420 nan 0.000 0.267 193 P C -2.459 174.926 177.300 0.142 0.000 1.195 193 P CA -0.410 62.715 63.100 0.042 0.000 0.773 193 P CB -0.110 31.670 31.700 0.133 0.000 0.837 194 P HA -0.033 nan 4.420 nan 0.000 0.264 194 P C 0.160 177.707 177.300 0.412 0.000 1.183 194 P CA 0.305 63.430 63.100 0.042 0.000 0.763 194 P CB 0.192 31.898 31.700 0.010 0.000 0.807 195 C N 1.171 120.767 119.300 0.493 0.000 2.524 195 C HA 0.016 4.476 4.460 -0.000 0.000 0.284 195 C C 1.075 176.331 174.990 0.443 0.000 1.346 195 C CA 0.306 59.596 59.018 0.453 0.000 1.739 195 C CB -1.666 26.369 27.740 0.492 0.000 2.119 195 C HN 0.683 nan 8.230 nan 0.000 0.501 196 H N -0.625 118.752 119.070 0.512 0.000 2.787 196 H HA 0.641 5.197 4.556 -0.000 0.000 0.275 196 H C 0.505 176.155 175.328 0.535 0.000 1.183 196 H CA 0.104 56.405 56.048 0.422 0.000 1.290 196 H CB 0.465 30.501 29.762 0.457 0.000 1.438 196 H HN 0.173 nan 8.280 nan 0.000 0.487 197 A N 4.118 127.197 122.820 0.431 0.000 2.147 197 A HA 0.272 4.592 4.320 -0.000 0.000 0.211 197 A C 0.393 178.215 177.584 0.398 0.000 1.160 197 A CA 0.131 52.438 52.037 0.451 0.000 0.781 197 A CB 0.315 19.586 19.000 0.452 0.000 0.842 197 A HN 0.666 nan 8.150 nan 0.000 0.475 198 L N -0.282 121.135 121.223 0.323 0.000 2.592 198 L HA 0.527 4.867 4.340 -0.000 0.000 0.258 198 L C -1.613 175.327 176.870 0.116 0.000 0.926 198 L CA -0.972 53.997 54.840 0.215 0.000 0.885 198 L CB 1.877 44.032 42.059 0.160 0.000 1.380 198 L HN 0.359 nan 8.230 nan 0.000 0.415 199 C N 2.028 121.352 119.300 0.040 0.000 2.797 199 C HA 0.808 5.268 4.460 -0.000 0.000 0.306 199 C C -0.784 174.119 174.990 -0.145 0.000 1.207 199 C CA -0.576 58.381 59.018 -0.102 0.000 1.507 199 C CB 1.398 29.046 27.740 -0.153 0.000 2.028 199 C HN 0.997 nan 8.230 nan 0.000 0.475 200 Q N 1.353 121.013 119.800 -0.234 0.000 2.375 200 Q HA 0.755 5.095 4.340 -0.000 0.000 0.271 200 Q C -1.884 173.959 176.000 -0.262 0.000 1.074 200 Q CA -0.398 55.323 55.803 -0.135 0.000 0.808 200 Q CB 1.719 30.437 28.738 -0.033 0.000 1.327 200 Q HN 0.744 nan 8.270 nan 0.000 0.441 201 F N 1.760 121.765 119.950 0.092 0.000 2.497 201 F HA 0.598 5.125 4.527 -0.000 0.000 0.331 201 F C -0.686 175.227 175.800 0.188 0.000 1.060 201 F CA -0.624 57.453 58.000 0.129 0.000 0.989 201 F CB 1.415 40.472 39.000 0.094 0.000 1.245 201 F HN 0.555 nan 8.300 nan 0.000 0.486 202 Y N 0.386 120.818 120.300 0.220 0.000 2.544 202 Y HA 0.716 5.266 4.550 -0.000 0.000 0.342 202 Y C -1.964 174.003 175.900 0.111 0.000 1.062 202 Y CA -1.076 57.096 58.100 0.121 0.000 1.023 202 Y CB 1.641 40.142 38.460 0.068 0.000 1.308 202 Y HN 0.372 nan 8.280 nan 0.000 0.457 203 V N 5.555 125.290 119.914 -0.298 0.000 2.789 203 V HA 0.852 4.972 4.120 -0.000 0.000 0.311 203 V C -1.253 174.628 176.094 -0.355 0.000 1.073 203 V CA -0.875 61.312 62.300 -0.188 0.000 0.921 203 V CB 1.783 33.544 31.823 -0.104 0.000 1.009 203 V HN 0.656 nan 8.190 nan 0.000 0.426 204 V N 3.669 123.513 119.914 -0.117 0.000 2.903 204 V HA 0.417 4.537 4.120 -0.000 0.000 0.289 204 V C -0.403 175.696 176.094 0.008 0.000 1.355 204 V CA -0.828 61.431 62.300 -0.068 0.000 0.953 204 V CB 2.278 34.110 31.823 0.015 0.000 1.102 204 V HN 0.964 nan 8.190 nan 0.000 0.435 205 N N 2.855 121.553 118.700 -0.003 0.000 2.735 205 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 205 N C 0.673 176.187 175.510 0.006 0.000 1.083 205 N CA 1.263 54.318 53.050 0.008 0.000 0.703 205 N CB -1.159 37.344 38.487 0.026 0.000 1.005 205 N HN 1.030 nan 8.380 nan 0.000 0.550 206 S N -2.352 113.345 115.700 -0.005 0.000 3.261 206 S HA -0.261 4.209 4.470 -0.000 0.000 0.287 206 S C 0.151 174.754 174.600 0.006 0.000 1.281 206 S CA 1.708 59.905 58.200 -0.005 0.000 1.053 206 S CB -0.984 62.211 63.200 -0.008 0.000 1.251 206 S HN 0.862 nan 8.310 nan 0.000 0.659 207 E N 0.114 120.329 120.200 0.025 0.000 2.222 207 E HA 0.706 5.056 4.350 -0.000 0.000 0.267 207 E C -0.674 175.975 176.600 0.082 0.000 0.884 207 E CA -1.146 55.279 56.400 0.042 0.000 0.764 207 E CB 1.575 31.304 29.700 0.047 0.000 1.169 207 E HN 0.141 nan 8.360 nan 0.000 0.413 208 L N 2.226 123.504 121.223 0.091 0.000 2.275 208 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 208 L C -0.916 176.085 176.870 0.219 0.000 1.046 208 L CA 0.128 55.063 54.840 0.158 0.000 0.805 208 L CB 1.463 43.605 42.059 0.138 0.000 1.193 208 L HN 0.627 nan 8.230 nan 0.000 0.426 209 S N 3.286 119.159 115.700 0.288 0.000 2.607 209 S HA 0.718 5.188 4.470 -0.000 0.000 0.303 209 S C -1.321 173.435 174.600 0.260 0.000 1.086 209 S CA -0.600 57.752 58.200 0.254 0.000 0.995 209 S CB 1.633 64.948 63.200 0.191 0.000 1.084 209 S HN 0.840 nan 8.310 nan 0.000 0.507 210 C N 2.392 121.795 119.300 0.172 0.000 2.686 210 C HA 0.734 5.194 4.460 -0.000 0.000 0.318 210 C C -1.088 173.892 174.990 -0.017 0.000 1.160 210 C CA -0.318 58.684 59.018 -0.028 0.000 1.396 210 C CB 0.822 28.547 27.740 -0.025 0.000 1.924 210 C HN 0.989 nan 8.230 nan 0.000 0.471 211 Q N 3.492 123.188 119.800 -0.173 0.000 2.365 211 Q HA 0.811 5.151 4.340 -0.000 0.000 0.269 211 Q C -1.769 174.112 176.000 -0.199 0.000 1.061 211 Q CA -0.692 54.983 55.803 -0.214 0.000 0.816 211 Q CB 2.014 30.643 28.738 -0.181 0.000 1.325 211 Q HN 0.849 nan 8.270 nan 0.000 0.446 212 L N 3.107 124.204 121.223 -0.210 0.000 2.381 212 L HA 0.507 4.847 4.340 -0.000 0.000 0.268 212 L C -2.129 174.708 176.870 -0.055 0.000 0.997 212 L CA -0.573 54.165 54.840 -0.171 0.000 0.818 212 L CB 1.871 43.731 42.059 -0.330 0.000 1.310 212 L HN 0.734 nan 8.230 nan 0.000 0.416 213 Y N 3.619 123.874 120.300 -0.074 0.000 2.369 213 Y HA 0.467 5.017 4.550 -0.000 0.000 0.337 213 Y C -0.443 175.480 175.900 0.038 0.000 0.961 213 Y CA -0.074 57.996 58.100 -0.049 0.000 1.186 213 Y CB 1.006 39.429 38.460 -0.061 0.000 1.139 213 Y HN 0.730 nan 8.280 nan 0.000 0.494 214 Q N 7.015 126.534 119.800 -0.468 0.000 2.466 214 Q HA 0.225 4.565 4.340 -0.000 0.000 0.242 214 Q C 1.095 176.882 176.000 -0.356 0.000 1.046 214 Q CA -0.564 55.133 55.803 -0.177 0.000 0.841 214 Q CB 0.663 29.438 28.738 0.062 0.000 1.193 214 Q HN 0.977 nan 8.270 nan 0.000 0.508 215 R N 1.047 121.424 120.500 -0.204 0.000 2.103 215 R HA -0.063 4.277 4.340 -0.000 0.000 0.242 215 R C 0.498 176.822 176.300 0.040 0.000 1.142 215 R CA 1.252 57.307 56.100 -0.074 0.000 0.960 215 R CB -0.035 30.291 30.300 0.042 0.000 0.858 215 R HN 0.288 nan 8.270 nan 0.000 0.439 216 S N -0.418 115.357 115.700 0.125 0.000 2.532 216 S HA 0.609 5.078 4.470 -0.000 0.000 0.299 216 S C -0.862 173.851 174.600 0.188 0.000 1.105 216 S CA -0.466 57.869 58.200 0.226 0.000 1.018 216 S CB 2.005 65.388 63.200 0.304 0.000 1.021 216 S HN 0.489 nan 8.310 nan 0.000 0.483 217 G N 2.655 111.500 108.800 0.075 0.000 2.782 217 G HA2 0.342 4.302 3.960 -0.000 0.000 0.289 217 G HA3 0.342 4.302 3.960 -0.000 0.000 0.289 217 G C -1.220 173.382 174.900 -0.496 0.000 1.463 217 G CA -0.554 44.499 45.100 -0.078 0.000 1.019 217 G HN 0.645 nan 8.290 nan 0.000 0.536 218 D N 3.929 124.156 120.400 -0.288 0.000 2.383 218 D HA 0.058 4.698 4.640 -0.000 0.000 0.245 218 D C 1.708 177.985 176.300 -0.039 0.000 1.263 218 D CA -0.595 53.242 54.000 -0.272 0.000 0.936 218 D CB 0.674 41.572 40.800 0.164 0.000 1.053 218 D HN 0.122 nan 8.370 nan 0.000 0.507 219 M N 2.655 122.213 119.600 -0.070 0.000 2.195 219 M HA -0.057 4.423 4.480 -0.000 0.000 0.260 219 M C 1.988 178.445 176.300 0.262 0.000 1.066 219 M CA 1.113 56.501 55.300 0.146 0.000 1.089 219 M CB -1.260 31.405 32.600 0.109 0.000 1.377 219 M HN 0.481 nan 8.290 nan 0.000 0.411 220 G N -0.626 108.336 108.800 0.271 0.000 2.403 220 G HA2 0.029 3.989 3.960 -0.000 0.000 0.216 220 G HA3 0.029 3.989 3.960 -0.000 0.000 0.216 220 G C 1.628 176.617 174.900 0.149 0.000 1.154 220 G CA 0.371 45.613 45.100 0.236 0.000 0.784 220 G HN 0.407 nan 8.290 nan 0.000 0.538 221 L N -0.752 120.584 121.223 0.188 0.000 2.783 221 L HA 0.311 4.650 4.340 -0.000 0.000 0.174 221 L C 3.035 179.944 176.870 0.065 0.000 1.235 221 L CA 0.641 55.537 54.840 0.093 0.000 0.862 221 L CB -0.787 41.320 42.059 0.079 0.000 1.249 221 L HN 0.186 nan 8.230 nan 0.000 0.518 222 G N 0.325 109.167 108.800 0.071 0.000 2.491 222 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 222 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 222 G C 1.558 176.552 174.900 0.156 0.000 1.180 222 G CA 1.237 46.393 45.100 0.093 0.000 0.774 222 G HN 0.105 nan 8.290 nan 0.000 0.562 223 V N 2.196 122.194 119.914 0.140 0.000 2.278 223 V HA -0.177 3.943 4.120 -0.000 0.000 0.251 223 V C 0.453 176.537 176.094 -0.016 0.000 1.062 223 V CA 2.541 64.909 62.300 0.115 0.000 1.038 223 V CB -1.192 30.752 31.823 0.201 0.000 0.646 223 V HN 0.321 nan 8.190 nan 0.000 0.447 224 P HA -0.119 nan 4.420 nan 0.000 0.218 224 P C 1.584 178.878 177.300 -0.009 0.000 1.149 224 P CA 1.375 64.400 63.100 -0.125 0.000 0.817 224 P CB -0.070 31.608 31.700 -0.038 0.000 0.785 225 F N 0.025 119.919 119.950 -0.093 0.000 2.098 225 F HA -0.095 4.432 4.527 -0.000 0.000 0.294 225 F C 2.071 177.797 175.800 -0.123 0.000 1.107 225 F CA 1.512 59.463 58.000 -0.081 0.000 1.234 225 F CB -1.264 37.715 39.000 -0.036 0.000 1.002 225 F HN -0.105 nan 8.300 nan 0.000 0.472 226 N N 0.411 119.171 118.700 0.101 0.000 2.021 226 N HA -0.259 4.481 4.740 -0.000 0.000 0.198 226 N C 1.956 177.380 175.510 -0.144 0.000 1.041 226 N CA 1.855 54.906 53.050 0.001 0.000 0.862 226 N CB -0.387 38.123 38.487 0.038 0.000 1.048 226 N HN 0.175 nan 8.380 nan 0.000 0.427 227 I N 1.141 121.536 120.570 -0.291 0.000 2.118 227 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 227 I C 2.496 178.254 176.117 -0.598 0.000 1.070 227 I CA 1.287 62.314 61.300 -0.454 0.000 1.327 227 I CB -0.458 37.211 38.000 -0.552 0.000 1.034 227 I HN 0.223 nan 8.210 nan 0.000 0.405 228 A N -0.552 121.980 122.820 -0.480 0.000 1.969 228 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 228 A C 2.468 179.891 177.584 -0.269 0.000 1.169 228 A CA 1.981 53.745 52.037 -0.454 0.000 0.635 228 A CB -0.660 18.207 19.000 -0.223 0.000 0.810 228 A HN 0.411 nan 8.150 nan 0.000 0.445 229 S N -1.672 113.853 115.700 -0.292 0.000 2.356 229 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 229 S C 1.878 176.257 174.600 -0.367 0.000 1.032 229 S CA 1.587 59.610 58.200 -0.295 0.000 1.005 229 S CB -0.488 62.558 63.200 -0.257 0.000 0.867 229 S HN 0.621 nan 8.310 nan 0.000 0.449 230 Y N 1.343 121.394 120.300 -0.414 0.000 2.314 230 Y HA 0.196 4.745 4.550 -0.000 0.000 0.293 230 Y C 2.604 178.213 175.900 -0.485 0.000 1.129 230 Y CA 0.702 58.527 58.100 -0.458 0.000 1.201 230 Y CB -0.543 37.499 38.460 -0.696 0.000 0.999 230 Y HN 0.370 nan 8.280 nan 0.000 0.541 231 A N -0.204 122.286 122.820 -0.550 0.000 1.972 231 A HA -0.149 4.170 4.320 -0.000 0.000 0.219 231 A C 2.228 179.908 177.584 0.160 0.000 1.169 231 A CA 1.250 53.091 52.037 -0.326 0.000 0.635 231 A CB -0.852 17.666 19.000 -0.803 0.000 0.810 231 A HN 0.525 nan 8.150 nan 0.000 0.446 232 L N -1.080 120.239 121.223 0.161 0.000 2.023 232 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 232 L C 2.465 179.364 176.870 0.048 0.000 1.073 232 L CA 1.547 56.466 54.840 0.132 0.000 0.745 232 L CB -0.289 41.724 42.059 -0.078 0.000 0.900 232 L HN 0.434 nan 8.230 nan 0.000 0.435 233 L N -0.184 121.032 121.223 -0.012 0.000 2.043 233 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 233 L C 2.381 179.367 176.870 0.194 0.000 1.075 233 L CA 2.443 57.315 54.840 0.052 0.000 0.752 233 L CB -0.926 41.145 42.059 0.019 0.000 0.891 233 L HN 0.246 nan 8.230 nan 0.000 0.432 234 T N -1.465 113.259 114.554 0.283 0.000 2.652 234 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 234 T C 1.724 176.605 174.700 0.302 0.000 1.039 234 T CA 1.930 64.247 62.100 0.363 0.000 1.153 234 T CB -0.591 68.495 68.868 0.363 0.000 0.863 234 T HN 0.312 nan 8.240 nan 0.000 0.428 235 Y N 1.261 121.657 120.300 0.160 0.000 2.114 235 Y HA -0.152 4.398 4.550 -0.000 0.000 0.282 235 Y C 2.583 178.578 175.900 0.159 0.000 1.165 235 Y CA 1.157 59.355 58.100 0.163 0.000 1.148 235 Y CB -0.614 37.944 38.460 0.164 0.000 0.972 235 Y HN 0.174 nan 8.280 nan 0.000 0.504 236 M N -0.802 118.946 119.600 0.247 0.000 2.065 236 M HA -0.284 4.196 4.480 -0.000 0.000 0.259 236 M C 2.163 178.631 176.300 0.280 0.000 1.071 236 M CA 1.956 57.336 55.300 0.134 0.000 1.109 236 M CB -0.686 31.894 32.600 -0.033 0.000 1.313 236 M HN 0.210 nan 8.290 nan 0.000 0.408 237 I N -0.040 120.639 120.570 0.183 0.000 2.286 237 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 237 I C 2.656 178.835 176.117 0.103 0.000 1.115 237 I CA 1.146 62.504 61.300 0.095 0.000 1.392 237 I CB -0.576 37.364 38.000 -0.100 0.000 1.065 237 I HN 0.295 nan 8.210 nan 0.000 0.418 238 A N 0.009 122.902 122.820 0.120 0.000 1.933 238 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 238 A C 2.333 179.989 177.584 0.120 0.000 1.175 238 A CA 1.656 53.741 52.037 0.080 0.000 0.628 238 A CB -0.898 18.117 19.000 0.025 0.000 0.814 238 A HN 0.498 nan 8.150 nan 0.000 0.444 239 H N 0.298 119.427 119.070 0.098 0.000 2.270 239 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 239 H C 1.917 177.309 175.328 0.106 0.000 1.077 239 H CA 2.036 58.159 56.048 0.125 0.000 1.294 239 H CB -0.349 29.555 29.762 0.237 0.000 1.371 239 H HN 0.436 nan 8.280 nan 0.000 0.491 240 I N 1.052 121.868 120.570 0.410 0.000 2.423 240 I HA -0.219 3.951 4.170 -0.000 0.000 0.254 240 I C 2.140 178.311 176.117 0.089 0.000 1.151 240 I CA 1.743 63.184 61.300 0.236 0.000 1.421 240 I CB -0.211 37.891 38.000 0.169 0.000 1.079 240 I HN 0.411 nan 8.210 nan 0.000 0.431 241 T N -2.757 111.834 114.554 0.061 0.000 3.060 241 T HA 0.287 4.637 4.350 -0.000 0.000 0.249 241 T C 1.380 176.074 174.700 -0.009 0.000 1.079 241 T CA 0.344 62.450 62.100 0.010 0.000 1.013 241 T CB 0.533 69.397 68.868 -0.007 0.000 0.975 241 T HN 0.460 nan 8.240 nan 0.000 0.518 242 G N 1.403 110.191 108.800 -0.020 0.000 2.256 242 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.272 242 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.272 242 G C -0.292 174.587 174.900 -0.036 0.000 1.076 242 G CA 0.248 45.318 45.100 -0.049 0.000 0.882 242 G HN 0.657 nan 8.290 nan 0.000 0.497 243 L N -1.138 120.070 121.223 -0.024 0.000 2.333 243 L HA 0.705 5.045 4.340 -0.000 0.000 0.263 243 L C 0.242 177.095 176.870 -0.029 0.000 1.014 243 L CA -1.357 53.472 54.840 -0.018 0.000 0.820 243 L CB 1.950 44.008 42.059 -0.002 0.000 1.352 243 L HN 0.001 nan 8.230 nan 0.000 0.421 244 K N 1.886 122.268 120.400 -0.031 0.000 2.156 244 K HA 0.456 4.776 4.320 -0.000 0.000 0.271 244 K C -2.629 173.932 176.600 -0.065 0.000 0.995 244 K CA -1.934 54.317 56.287 -0.060 0.000 0.890 244 K CB 1.911 34.389 32.500 -0.037 0.000 1.073 244 K HN 0.125 nan 8.250 nan 0.000 0.454 245 P HA -0.007 nan 4.420 nan 0.000 0.265 245 P C -0.138 177.160 177.300 -0.004 0.000 1.187 245 P CA 0.184 63.205 63.100 -0.133 0.000 0.766 245 P CB 0.799 32.235 31.700 -0.440 0.000 0.820 246 G N 2.327 111.172 108.800 0.076 0.000 2.754 246 G HA2 0.161 4.121 3.960 -0.000 0.000 0.210 246 G HA3 0.161 4.121 3.960 -0.000 0.000 0.210 246 G C -0.517 174.458 174.900 0.125 0.000 2.092 246 G CA 0.053 45.214 45.100 0.101 0.000 0.766 246 G HN 0.396 nan 8.290 nan 0.000 0.745 247 D N -0.816 119.667 120.400 0.138 0.000 2.419 247 D HA 0.471 5.111 4.640 -0.000 0.000 0.234 247 D C -1.685 174.747 176.300 0.221 0.000 1.014 247 D CA -0.337 53.753 54.000 0.149 0.000 0.919 247 D CB 2.715 43.555 40.800 0.066 0.000 1.366 247 D HN 0.082 nan 8.370 nan 0.000 0.490 248 F N 1.770 121.780 119.950 0.100 0.000 2.445 248 F HA 0.421 4.948 4.527 0.000 0.000 0.348 248 F C -1.238 174.637 175.800 0.124 0.000 1.125 248 F CA -0.955 57.104 58.000 0.098 0.000 0.983 248 F CB 0.406 39.466 39.000 0.099 0.000 1.198 248 F HN 0.057 nan 8.300 nan 0.000 0.436 249 I N 6.301 126.538 120.570 -0.555 0.000 2.301 249 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 249 I C 0.011 175.667 176.117 -0.768 0.000 1.046 249 I CA -0.119 60.870 61.300 -0.518 0.000 1.282 249 I CB 0.505 38.325 38.000 -0.301 0.000 1.409 249 I HN 0.553 nan 8.210 nan 0.000 0.484 250 H N 5.796 124.455 119.070 -0.684 0.000 2.640 250 H HA 0.398 4.954 4.556 -0.000 0.000 0.297 250 H C -0.892 174.284 175.328 -0.253 0.000 1.073 250 H CA -0.502 55.261 56.048 -0.475 0.000 1.305 250 H CB 0.691 30.393 29.762 -0.100 0.000 1.404 250 H HN 0.528 nan 8.280 nan 0.000 0.459 251 T N 7.108 121.463 114.554 -0.332 0.000 2.758 251 T HA 0.223 4.573 4.350 -0.000 0.000 0.285 251 T C -0.226 174.144 174.700 -0.550 0.000 0.981 251 T CA -0.806 61.067 62.100 -0.378 0.000 0.965 251 T CB 0.762 69.512 68.868 -0.196 0.000 0.927 251 T HN 0.333 nan 8.240 nan 0.000 0.448 252 L N 2.686 123.578 121.223 -0.552 0.000 2.334 252 L HA 0.599 4.939 4.340 -0.000 0.000 0.275 252 L C 1.246 177.816 176.870 -0.500 0.000 1.036 252 L CA 0.116 54.653 54.840 -0.506 0.000 0.807 252 L CB 1.219 43.047 42.059 -0.385 0.000 1.231 252 L HN 0.831 nan 8.230 nan 0.000 0.438 253 G N 1.199 109.725 108.800 -0.458 0.000 2.680 253 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.224 253 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.224 253 G C -0.169 174.674 174.900 -0.094 0.000 1.454 253 G CA 0.146 45.005 45.100 -0.402 0.000 0.900 253 G HN 0.554 nan 8.290 nan 0.000 0.570 254 D N 1.527 122.029 120.400 0.169 0.000 2.485 254 D HA 0.532 5.172 4.640 -0.000 0.000 0.221 254 D C -0.072 176.367 176.300 0.231 0.000 1.112 254 D CA -0.485 53.695 54.000 0.301 0.000 0.911 254 D CB 0.528 41.504 40.800 0.294 0.000 1.019 254 D HN 0.270 nan 8.370 nan 0.000 0.516 255 A N 4.923 127.805 122.820 0.104 0.000 2.276 255 A HA 0.529 4.849 4.320 -0.000 0.000 0.300 255 A C -0.173 177.434 177.584 0.038 0.000 1.235 255 A CA -0.497 51.533 52.037 -0.012 0.000 0.867 255 A CB 0.305 19.269 19.000 -0.060 0.000 1.137 255 A HN 0.712 nan 8.150 nan 0.000 0.527 256 H N 0.552 119.592 119.070 -0.050 0.000 2.928 256 H HA 0.677 5.233 4.556 -0.000 0.000 0.371 256 H C -1.709 173.531 175.328 -0.147 0.000 1.186 256 H CA -1.319 54.658 56.048 -0.119 0.000 1.134 256 H CB 1.362 30.988 29.762 -0.226 0.000 1.824 256 H HN 0.417 nan 8.280 nan 0.000 0.554 257 I N 2.569 123.123 120.570 -0.026 0.000 2.411 257 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 257 I C -0.567 175.547 176.117 -0.006 0.000 1.012 257 I CA -0.689 60.613 61.300 0.004 0.000 1.119 257 I CB 0.885 38.923 38.000 0.062 0.000 1.261 257 I HN 0.448 nan 8.210 nan 0.000 0.448 258 Y N 5.135 125.470 120.300 0.058 0.000 2.578 258 Y HA 0.003 4.553 4.550 -0.000 0.000 0.339 258 Y C 1.570 177.458 175.900 -0.021 0.000 1.231 258 Y CA -0.207 57.855 58.100 -0.062 0.000 1.461 258 Y CB 0.717 38.974 38.460 -0.340 0.000 1.323 258 Y HN 0.524 nan 8.280 nan 0.000 0.590 259 L N 1.651 122.979 121.223 0.175 0.000 2.079 259 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 259 L C 1.783 178.724 176.870 0.118 0.000 1.081 259 L CA 1.512 56.422 54.840 0.115 0.000 0.752 259 L CB -0.465 41.644 42.059 0.083 0.000 0.896 259 L HN 0.761 nan 8.230 nan 0.000 0.433 260 N N -1.238 117.526 118.700 0.106 0.000 2.421 260 N HA -0.134 4.606 4.740 -0.000 0.000 0.201 260 N C 0.956 176.648 175.510 0.303 0.000 1.198 260 N CA 0.554 53.686 53.050 0.136 0.000 0.838 260 N CB -0.318 38.218 38.487 0.082 0.000 1.011 260 N HN 0.571 nan 8.380 nan 0.000 0.463 261 H N -0.607 118.533 119.070 0.116 0.000 3.046 261 H HA 0.330 4.886 4.556 -0.000 0.000 0.262 261 H C 1.623 176.998 175.328 0.080 0.000 1.044 261 H CA -0.411 55.702 56.048 0.109 0.000 1.209 261 H CB 0.900 30.758 29.762 0.160 0.000 1.507 261 H HN 0.057 nan 8.280 nan 0.000 0.507 262 I N 1.148 121.833 120.570 0.192 0.000 2.163 262 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 262 I C 2.219 178.380 176.117 0.074 0.000 1.085 262 I CA 1.318 62.684 61.300 0.111 0.000 1.347 262 I CB -0.025 38.025 38.000 0.083 0.000 1.044 262 I HN 0.278 nan 8.210 nan 0.000 0.408 263 E N 0.485 120.726 120.200 0.068 0.000 2.047 263 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 263 E C -0.122 176.497 176.600 0.032 0.000 0.987 263 E CA 1.330 57.755 56.400 0.042 0.000 0.799 263 E CB -1.599 28.123 29.700 0.037 0.000 0.752 263 E HN 0.399 nan 8.360 nan 0.000 0.449 264 P HA -0.115 nan 4.420 nan 0.000 0.216 264 P C 1.519 178.827 177.300 0.014 0.000 1.150 264 P CA 0.781 63.889 63.100 0.013 0.000 0.837 264 P CB 0.057 31.751 31.700 -0.010 0.000 0.786 265 L N -0.327 120.914 121.223 0.030 0.000 2.093 265 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 265 L C 2.112 178.987 176.870 0.008 0.000 1.085 265 L CA 1.836 56.694 54.840 0.029 0.000 0.755 265 L CB -1.134 40.956 42.059 0.050 0.000 0.904 265 L HN -0.121 nan 8.230 nan 0.000 0.435 266 K N -0.746 119.660 120.400 0.010 0.000 2.152 266 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 266 K C 2.054 178.646 176.600 -0.013 0.000 1.048 266 K CA 1.282 57.568 56.287 -0.003 0.000 0.933 266 K CB -0.150 32.352 32.500 0.004 0.000 0.721 266 K HN 0.307 nan 8.250 nan 0.000 0.447 267 I N 0.498 121.061 120.570 -0.011 0.000 2.333 267 I HA -0.241 3.929 4.170 -0.000 0.000 0.246 267 I C 2.709 178.803 176.117 -0.039 0.000 1.106 267 I CA 0.931 62.217 61.300 -0.023 0.000 1.411 267 I CB -0.160 37.830 38.000 -0.016 0.000 1.082 267 I HN 0.259 nan 8.210 nan 0.000 0.420 268 Q N 1.291 121.077 119.800 -0.024 0.000 2.124 268 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 268 Q C 2.379 178.355 176.000 -0.040 0.000 0.977 268 Q CA 1.426 57.215 55.803 -0.024 0.000 0.850 268 Q CB -0.014 28.744 28.738 0.033 0.000 0.901 268 Q HN 0.503 nan 8.270 nan 0.000 0.429 269 L N 0.367 121.568 121.223 -0.038 0.000 2.191 269 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 269 L C 2.150 178.986 176.870 -0.057 0.000 1.103 269 L CA 1.249 56.058 54.840 -0.051 0.000 0.769 269 L CB -0.046 41.983 42.059 -0.050 0.000 0.908 269 L HN 0.400 nan 8.230 nan 0.000 0.438 270 Q N -0.734 119.029 119.800 -0.062 0.000 2.331 270 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 270 Q C 0.394 176.334 176.000 -0.100 0.000 0.944 270 Q CA 0.231 55.994 55.803 -0.066 0.000 0.892 270 Q CB 0.240 28.946 28.738 -0.055 0.000 0.983 270 Q HN 0.460 nan 8.270 nan 0.000 0.482 271 R N 1.190 121.592 120.500 -0.163 0.000 2.679 271 R HA 0.147 4.486 4.340 -0.000 0.000 0.269 271 R C -0.009 176.182 176.300 -0.182 0.000 1.076 271 R CA -0.004 55.908 56.100 -0.314 0.000 1.160 271 R CB 0.499 30.408 30.300 -0.651 0.000 1.054 271 R HN 0.070 nan 8.270 nan 0.000 0.507 272 E N 3.488 123.634 120.200 -0.091 0.000 2.175 272 E HA 0.241 4.591 4.350 -0.000 0.000 0.278 272 E C -2.113 174.590 176.600 0.171 0.000 0.969 272 E CA -2.291 54.139 56.400 0.049 0.000 0.796 272 E CB 1.263 31.008 29.700 0.076 0.000 1.104 272 E HN 0.301 nan 8.360 nan 0.000 0.395 273 P HA 0.097 nan 4.420 nan 0.000 0.272 273 P C -0.789 176.581 177.300 0.117 0.000 1.230 273 P CA -0.178 62.969 63.100 0.078 0.000 0.788 273 P CB 0.948 32.567 31.700 -0.136 0.000 0.949 274 R N 0.841 121.428 120.500 0.144 0.000 2.902 274 R HA 0.568 4.908 4.340 -0.000 0.000 0.258 274 R C -2.463 173.885 176.300 0.081 0.000 1.071 274 R CA -2.455 53.701 56.100 0.094 0.000 1.024 274 R CB -0.534 29.778 30.300 0.021 0.000 1.184 274 R HN 0.301 nan 8.270 nan 0.000 0.492 275 P HA 0.061 nan 4.420 nan 0.000 0.268 275 P C -0.409 176.831 177.300 -0.101 0.000 1.204 275 P CA 0.067 63.063 63.100 -0.173 0.000 0.768 275 P CB 0.157 31.821 31.700 -0.060 0.000 0.842 276 F N 5.032 124.871 119.950 -0.184 0.000 2.589 276 F HA 0.095 4.622 4.527 -0.000 0.000 0.352 276 F C -1.009 174.779 175.800 -0.021 0.000 1.168 276 F CA -1.392 56.571 58.000 -0.062 0.000 1.353 276 F CB -0.808 38.137 39.000 -0.093 0.000 1.116 276 F HN 0.326 nan 8.300 nan 0.000 0.608 277 P HA 0.226 nan 4.420 nan 0.000 0.297 277 P C -1.325 175.992 177.300 0.028 0.000 1.303 277 P CA -0.506 62.645 63.100 0.085 0.000 0.753 277 P CB 1.152 32.851 31.700 -0.002 0.000 1.281 278 K N -0.756 119.619 120.400 -0.042 0.000 2.267 278 K HA 0.563 4.883 4.320 -0.000 0.000 0.246 278 K C -0.905 175.575 176.600 -0.201 0.000 0.954 278 K CA -0.929 55.331 56.287 -0.045 0.000 0.824 278 K CB 1.419 33.922 32.500 0.006 0.000 1.167 278 K HN 0.229 nan 8.250 nan 0.000 0.431 279 L N 2.544 123.621 121.223 -0.243 0.000 2.294 279 L HA 0.384 4.724 4.340 -0.000 0.000 0.283 279 L C -0.634 176.164 176.870 -0.120 0.000 1.015 279 L CA -0.183 54.397 54.840 -0.434 0.000 0.831 279 L CB 0.965 42.440 42.059 -0.973 0.000 1.217 279 L HN 0.531 nan 8.230 nan 0.000 0.420 280 R N 5.263 125.715 120.500 -0.080 0.000 2.474 280 R HA 0.608 4.948 4.340 -0.000 0.000 0.295 280 R C -1.158 175.143 176.300 0.002 0.000 0.980 280 R CA -0.652 55.452 56.100 0.007 0.000 0.934 280 R CB 1.025 31.321 30.300 -0.008 0.000 1.101 280 R HN 0.754 nan 8.270 nan 0.000 0.469 281 I N 6.910 127.490 120.570 0.017 0.000 2.337 281 I HA 0.092 4.262 4.170 -0.000 0.000 0.285 281 I C 1.035 177.111 176.117 -0.068 0.000 1.041 281 I CA -0.398 60.830 61.300 -0.120 0.000 1.199 281 I CB 1.567 39.522 38.000 -0.075 0.000 1.370 281 I HN 0.652 nan 8.210 nan 0.000 0.470 282 L N 5.547 126.704 121.223 -0.110 0.000 2.651 282 L HA -0.005 4.334 4.340 -0.000 0.000 0.236 282 L C 1.054 177.906 176.870 -0.031 0.000 1.173 282 L CA 0.895 55.704 54.840 -0.053 0.000 0.843 282 L CB -0.868 41.161 42.059 -0.050 0.000 0.964 282 L HN 0.638 nan 8.230 nan 0.000 0.454 283 R N 0.375 120.860 120.500 -0.025 0.000 2.664 283 R HA 0.232 4.572 4.340 -0.000 0.000 0.266 283 R C -1.320 175.044 176.300 0.108 0.000 1.046 283 R CA -0.826 55.284 56.100 0.016 0.000 0.885 283 R CB 1.386 31.671 30.300 -0.026 0.000 1.254 283 R HN -0.175 nan 8.270 nan 0.000 0.465 284 K N 3.087 123.555 120.400 0.114 0.000 2.316 284 K HA 0.274 4.594 4.320 -0.000 0.000 0.289 284 K C -1.145 175.518 176.600 0.105 0.000 1.070 284 K CA -0.303 56.104 56.287 0.200 0.000 0.928 284 K CB 0.905 33.453 32.500 0.081 0.000 1.039 284 K HN 0.355 nan 8.250 nan 0.000 0.480 285 V N 4.555 124.556 119.914 0.144 0.000 2.555 285 V HA 0.167 4.287 4.120 -0.000 0.000 0.302 285 V C 0.696 176.716 176.094 -0.124 0.000 1.038 285 V CA -0.680 61.491 62.300 -0.215 0.000 0.887 285 V CB 1.677 32.994 31.823 -0.844 0.000 0.991 285 V HN 0.827 nan 8.190 nan 0.000 0.434 286 E N 2.025 122.132 120.200 -0.156 0.000 2.065 286 E HA 0.123 4.473 4.350 -0.000 0.000 0.191 286 E C 0.079 176.608 176.600 -0.119 0.000 0.960 286 E CA 0.551 56.897 56.400 -0.090 0.000 0.824 286 E CB 0.206 29.867 29.700 -0.066 0.000 0.793 286 E HN 0.474 nan 8.360 nan 0.000 0.459 287 K N 1.291 121.594 120.400 -0.161 0.000 2.130 287 K HA 0.260 4.580 4.320 -0.000 0.000 0.268 287 K C 1.184 177.666 176.600 -0.197 0.000 0.983 287 K CA -0.271 55.941 56.287 -0.125 0.000 0.893 287 K CB 2.009 34.461 32.500 -0.081 0.000 1.066 287 K HN 0.023 nan 8.250 nan 0.000 0.450 288 I N 1.195 121.723 120.570 -0.069 0.000 2.567 288 I HA -0.275 3.895 4.170 -0.000 0.000 0.257 288 I C 0.279 176.453 176.117 0.094 0.000 1.184 288 I CA 1.555 62.888 61.300 0.055 0.000 1.451 288 I CB 0.190 38.288 38.000 0.163 0.000 1.089 288 I HN 0.557 nan 8.210 nan 0.000 0.441 289 D N 0.383 120.798 120.400 0.025 0.000 2.355 289 D HA -0.100 4.540 4.640 -0.000 0.000 0.218 289 D C 1.391 177.701 176.300 0.016 0.000 1.004 289 D CA 0.424 54.457 54.000 0.055 0.000 0.880 289 D CB 0.053 40.879 40.800 0.043 0.000 0.911 289 D HN 0.325 nan 8.370 nan 0.000 0.528 290 D N -0.227 120.114 120.400 -0.098 0.000 2.194 290 D HA -0.033 4.607 4.640 -0.000 0.000 0.204 290 D C 0.281 176.538 176.300 -0.072 0.000 0.964 290 D CA 0.139 54.061 54.000 -0.129 0.000 0.846 290 D CB -0.129 40.527 40.800 -0.240 0.000 0.962 290 D HN 0.228 nan 8.370 nan 0.000 0.490 291 F N 1.647 121.616 119.950 0.031 0.000 2.623 291 F HA -0.063 4.464 4.527 -0.000 0.000 0.386 291 F C 1.407 177.264 175.800 0.096 0.000 1.068 291 F CA 0.441 58.483 58.000 0.070 0.000 1.265 291 F CB 0.418 39.531 39.000 0.187 0.000 1.026 291 F HN -0.392 nan 8.300 nan 0.000 0.568 292 K N 2.203 122.797 120.400 0.323 0.000 2.400 292 K HA 0.549 4.869 4.320 -0.000 0.000 0.246 292 K C 0.537 177.281 176.600 0.238 0.000 0.995 292 K CA -0.573 55.835 56.287 0.201 0.000 0.840 292 K CB 1.761 34.328 32.500 0.112 0.000 1.293 292 K HN 0.533 nan 8.250 nan 0.000 0.445 293 A N 1.301 124.204 122.820 0.139 0.000 1.948 293 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 293 A C 1.513 179.205 177.584 0.180 0.000 1.177 293 A CA 1.937 54.043 52.037 0.115 0.000 0.636 293 A CB -0.506 18.497 19.000 0.005 0.000 0.815 293 A HN 0.795 nan 8.150 nan 0.000 0.449 294 E N 0.712 120.985 120.200 0.120 0.000 2.268 294 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 294 E C 1.083 177.714 176.600 0.052 0.000 0.995 294 E CA 1.046 57.496 56.400 0.084 0.000 0.836 294 E CB -0.237 29.492 29.700 0.049 0.000 0.763 294 E HN 0.601 nan 8.360 nan 0.000 0.491 295 D N -0.439 119.973 120.400 0.019 0.000 2.348 295 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 295 D C -0.151 175.862 176.300 -0.477 0.000 0.970 295 D CA 0.661 54.525 54.000 -0.227 0.000 0.889 295 D CB 0.077 40.694 40.800 -0.305 0.000 0.912 295 D HN 0.149 nan 8.370 nan 0.000 0.524 296 F N 0.052 120.001 119.950 -0.002 0.000 2.556 296 F HA 0.445 4.972 4.527 -0.000 0.000 0.327 296 F C 0.339 176.139 175.800 0.000 0.000 1.059 296 F CA -0.924 57.063 58.000 -0.022 0.000 0.953 296 F CB 1.762 40.748 39.000 -0.023 0.000 1.227 296 F HN -0.409 nan 8.300 nan 0.000 0.478 297 Q N 2.030 121.909 119.800 0.132 0.000 2.313 297 Q HA 0.386 4.726 4.340 -0.000 0.000 0.260 297 Q C -1.940 173.969 176.000 -0.151 0.000 0.972 297 Q CA -0.576 55.236 55.803 0.016 0.000 0.886 297 Q CB 2.104 30.843 28.738 0.002 0.000 1.373 297 Q HN 0.508 nan 8.270 nan 0.000 0.416 298 I N 3.000 123.405 120.570 -0.275 0.000 2.396 298 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 298 I C 0.038 176.027 176.117 -0.213 0.000 0.999 298 I CA 0.089 61.125 61.300 -0.441 0.000 1.310 298 I CB 1.372 38.922 38.000 -0.750 0.000 1.404 298 I HN 0.703 nan 8.210 nan 0.000 0.496 299 E N 2.751 122.851 120.200 -0.168 0.000 2.256 299 E HA 0.504 4.854 4.350 -0.000 0.000 0.267 299 E C 0.269 176.857 176.600 -0.019 0.000 0.892 299 E CA -0.734 55.626 56.400 -0.066 0.000 0.775 299 E CB 1.860 31.534 29.700 -0.044 0.000 1.207 299 E HN 0.809 nan 8.360 nan 0.000 0.420 300 G N 2.106 110.917 108.800 0.018 0.000 2.305 300 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.287 300 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.287 300 G C -0.477 174.493 174.900 0.117 0.000 1.036 300 G CA 0.425 45.554 45.100 0.047 0.000 0.887 300 G HN 0.612 nan 8.290 nan 0.000 0.505 301 Y N 0.787 121.056 120.300 -0.052 0.000 2.504 301 Y HA 0.414 4.964 4.550 -0.000 0.000 0.351 301 Y C 0.626 176.512 175.900 -0.023 0.000 0.988 301 Y CA -0.789 57.288 58.100 -0.038 0.000 1.239 301 Y CB 0.520 38.934 38.460 -0.077 0.000 1.128 301 Y HN 0.215 nan 8.280 nan 0.000 0.525 302 N N 9.303 127.927 118.700 -0.127 0.000 2.841 302 N HA 0.277 5.017 4.740 -0.000 0.000 0.257 302 N C -3.036 172.278 175.510 -0.327 0.000 1.396 302 N CA -1.759 51.147 53.050 -0.240 0.000 0.823 302 N CB 0.982 39.398 38.487 -0.118 0.000 1.162 302 N HN 0.389 nan 8.380 nan 0.000 0.503 303 P HA 0.242 nan 4.420 nan 0.000 0.280 303 P C -0.486 176.667 177.300 -0.245 0.000 1.272 303 P CA -0.262 62.623 63.100 -0.358 0.000 0.819 303 P CB 1.540 32.938 31.700 -0.504 0.000 1.122 304 H N -0.386 118.646 119.070 -0.064 0.000 2.639 304 H HA 0.223 4.779 4.556 -0.000 0.000 0.373 304 H C -1.724 173.584 175.328 -0.032 0.000 1.372 304 H CA -0.814 55.215 56.048 -0.032 0.000 1.448 304 H CB -0.543 29.221 29.762 0.003 0.000 1.544 304 H HN 0.291 nan 8.280 nan 0.000 0.615 305 P HA -0.027 nan 4.420 nan 0.000 0.270 305 P C -0.157 177.181 177.300 0.063 0.000 1.227 305 P CA 0.178 63.314 63.100 0.059 0.000 0.788 305 P CB 0.325 32.056 31.700 0.052 0.000 0.926 306 T N 1.189 115.766 114.554 0.039 0.000 2.802 306 T HA 0.323 4.673 4.350 -0.000 0.000 0.305 306 T C 0.414 175.133 174.700 0.032 0.000 1.053 306 T CA 0.277 62.402 62.100 0.042 0.000 1.058 306 T CB -0.093 68.787 68.868 0.020 0.000 0.988 306 T HN 0.199 nan 8.240 nan 0.000 0.539 307 I N 1.510 122.098 120.570 0.029 0.000 2.534 307 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 307 I C -0.421 175.689 176.117 -0.012 0.000 1.094 307 I CA -1.169 60.136 61.300 0.009 0.000 1.055 307 I CB 1.779 39.788 38.000 0.016 0.000 1.225 307 I HN 0.293 nan 8.210 nan 0.000 0.435 308 K N 7.269 127.654 120.400 -0.024 0.000 2.218 308 K HA 0.684 5.004 4.320 -0.000 0.000 0.276 308 K C -0.725 175.836 176.600 -0.065 0.000 1.022 308 K CA -0.241 56.023 56.287 -0.039 0.000 0.946 308 K CB 1.508 33.990 32.500 -0.030 0.000 1.000 308 K HN 0.600 nan 8.250 nan 0.000 0.468 309 M N 1.282 120.827 119.600 -0.091 0.000 2.322 309 M HA 0.172 4.652 4.480 -0.000 0.000 0.286 309 M C -0.537 175.779 176.300 0.027 0.000 1.111 309 M CA -0.454 54.752 55.300 -0.158 0.000 0.941 309 M CB 2.902 35.145 32.600 -0.595 0.000 1.671 309 M HN 0.478 nan 8.290 nan 0.000 0.470 310 E N 3.690 123.993 120.200 0.172 0.000 2.257 310 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 310 E C -0.796 175.886 176.600 0.137 0.000 1.049 310 E CA -0.250 56.219 56.400 0.116 0.000 0.876 310 E CB 1.068 30.801 29.700 0.054 0.000 1.035 310 E HN 0.623 nan 8.360 nan 0.000 0.419 311 M N 3.977 123.581 119.600 0.008 0.000 2.217 311 M HA 0.190 4.670 4.480 -0.000 0.000 0.352 311 M C -0.574 175.603 176.300 -0.204 0.000 1.376 311 M CA -0.182 55.071 55.300 -0.078 0.000 1.107 311 M CB 0.536 33.062 32.600 -0.123 0.000 1.723 311 M HN 0.564 nan 8.290 nan 0.000 0.461 312 A N 5.869 128.461 122.820 -0.379 0.000 2.409 312 A HA 0.490 4.810 4.320 -0.000 0.000 0.267 312 A C -0.202 177.218 177.584 -0.274 0.000 1.127 312 A CA -0.595 51.161 52.037 -0.469 0.000 0.795 312 A CB 0.118 18.503 19.000 -1.025 0.000 1.061 312 A HN 0.759 nan 8.150 nan 0.000 0.502 313 V N 0.000 119.798 119.914 -0.194 0.000 2.409 313 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 313 V CA 0.000 62.198 62.300 -0.170 0.000 1.235 313 V CB 0.000 31.729 31.823 -0.156 0.000 1.184 313 V HN 0.000 nan 8.190 nan 0.000 0.556