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 2eqb_1_A DATA FIRST_RESID 17 DATA SEQUENCE GSSIMKILLI GDSGVGKSCL LVRFVEDKFN PSFITTIGID FKIKTVDING DATA SEQUENCE KKVKLQLWDT AGQERFRTIT TAYYRGAMGI ILVYDVTDER TFTNIKQWFK DATA SEQUENCE TVNEHANDEA QLLLVGNKSD METRVVTADQ GEALAKELGI PFIESSAKND DATA SEQUENCE DNVNEIFFTL AKLIQEKIDS N 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 17 G C 0.000 174.899 174.900 -0.002 0.000 0.946 17 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 18 S N -0.995 114.704 115.700 -0.001 0.000 4.209 18 S HA 0.585 5.055 4.470 -0.000 0.000 0.225 18 S C -0.104 174.499 174.600 0.004 0.000 1.128 18 S CA 0.106 58.306 58.200 0.001 0.000 1.240 18 S CB 0.555 63.755 63.200 -0.000 0.000 1.892 18 S HN 0.446 nan 8.310 nan 0.000 0.639 19 S N 1.317 117.019 115.700 0.003 0.000 2.474 19 S HA 0.551 5.021 4.470 -0.000 0.000 0.276 19 S C -0.669 173.933 174.600 0.003 0.000 1.227 19 S CA -0.404 57.799 58.200 0.006 0.000 1.050 19 S CB -0.614 62.590 63.200 0.007 0.000 0.939 19 S HN 0.285 nan 8.310 nan 0.000 0.490 20 I N 4.991 125.568 120.570 0.011 0.000 2.797 20 I HA 0.499 4.669 4.170 -0.000 0.000 0.310 20 I C 0.319 176.445 176.117 0.015 0.000 0.990 20 I CA -0.015 61.293 61.300 0.012 0.000 1.228 20 I CB 1.138 39.156 38.000 0.029 0.000 1.406 20 I HN 0.549 nan 8.210 nan 0.000 0.534 21 M N 3.490 123.097 119.600 0.012 0.000 2.234 21 M HA 0.318 4.797 4.480 -0.000 0.000 0.267 21 M C -1.293 175.021 176.300 0.023 0.000 1.022 21 M CA -0.688 54.622 55.300 0.017 0.000 0.993 21 M CB 1.909 34.510 32.600 0.001 0.000 1.836 21 M HN 0.449 nan 8.290 nan 0.000 0.479 22 K N 3.149 123.582 120.400 0.055 0.000 2.258 22 K HA 0.707 5.026 4.320 -0.000 0.000 0.284 22 K C -0.995 175.650 176.600 0.074 0.000 1.051 22 K CA -0.453 55.885 56.287 0.085 0.000 0.923 22 K CB 1.274 33.863 32.500 0.149 0.000 1.046 22 K HN 0.391 nan 8.250 nan 0.000 0.474 23 I N 3.011 123.616 120.570 0.060 0.000 2.828 23 I HA 0.439 4.609 4.170 -0.000 0.000 0.302 23 I C -1.054 175.112 176.117 0.082 0.000 1.101 23 I CA -0.923 60.408 61.300 0.051 0.000 1.031 23 I CB 1.898 39.917 38.000 0.032 0.000 1.231 23 I HN 0.480 nan 8.210 nan 0.000 0.427 24 L N 5.088 126.347 121.223 0.061 0.000 2.465 24 L HA 0.712 5.052 4.340 -0.000 0.000 0.257 24 L C -2.164 174.705 176.870 -0.001 0.000 0.988 24 L CA -0.487 54.396 54.840 0.071 0.000 0.827 24 L CB 2.059 44.156 42.059 0.063 0.000 1.397 24 L HN 0.412 nan 8.230 nan 0.000 0.410 25 L N 4.170 125.393 121.223 -0.000 0.000 2.305 25 L HA 0.563 4.903 4.340 -0.000 0.000 0.284 25 L C -0.608 176.201 176.870 -0.102 0.000 1.013 25 L CA -0.451 54.357 54.840 -0.053 0.000 0.819 25 L CB 1.566 43.608 42.059 -0.028 0.000 1.227 25 L HN 0.586 nan 8.230 nan 0.000 0.417 26 I N 2.316 122.792 120.570 -0.156 0.000 2.412 26 I HA 0.806 4.975 4.170 -0.000 0.000 0.296 26 I C 0.501 176.296 176.117 -0.536 0.000 0.987 26 I CA -0.230 60.911 61.300 -0.266 0.000 1.180 26 I CB 1.985 39.944 38.000 -0.069 0.000 1.340 26 I HN 0.760 nan 8.210 nan 0.000 0.455 27 G N 4.762 112.916 108.800 -1.076 0.000 2.337 27 G HA2 0.068 4.028 3.960 -0.000 0.000 0.298 27 G HA3 0.068 4.028 3.960 -0.000 0.000 0.298 27 G C -1.790 172.620 174.900 -0.816 0.000 1.335 27 G CA -0.756 43.693 45.100 -1.085 0.000 0.875 27 G HN 0.459 nan 8.290 nan 0.000 0.579 28 D N -0.514 119.696 120.400 -0.315 0.000 2.511 28 D HA 0.550 5.190 4.640 -0.000 0.000 0.276 28 D C 1.000 177.331 176.300 0.053 0.000 1.220 28 D CA 0.343 54.389 54.000 0.077 0.000 1.077 28 D CB 1.262 42.206 40.800 0.240 0.000 1.126 28 D HN 0.603 nan 8.370 nan 0.000 0.583 29 S N -1.921 113.845 115.700 0.111 0.000 2.617 29 S HA 0.484 4.954 4.470 -0.000 0.000 0.269 29 S C 1.103 175.744 174.600 0.068 0.000 1.292 29 S CA 0.101 58.351 58.200 0.083 0.000 1.010 29 S CB 1.557 64.816 63.200 0.097 0.000 0.944 29 S HN 0.810 nan 8.310 nan 0.000 0.536 30 G N 0.252 109.083 108.800 0.053 0.000 2.417 30 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.233 30 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.233 30 G C 0.855 175.775 174.900 0.033 0.000 1.103 30 G CA 0.180 45.308 45.100 0.046 0.000 0.647 30 G HN 1.166 nan 8.290 nan 0.000 0.512 31 V N 1.554 121.484 119.914 0.028 0.000 2.636 31 V HA 0.147 4.267 4.120 -0.000 0.000 0.258 31 V C 2.446 178.532 176.094 -0.014 0.000 1.092 31 V CA 2.906 65.209 62.300 0.005 0.000 1.110 31 V CB -1.016 30.793 31.823 -0.023 0.000 0.685 31 V HN 2.387 nan 8.190 nan 0.000 0.481 32 G N -0.502 108.297 108.800 -0.002 0.000 2.204 32 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 32 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 32 G C 0.719 175.615 174.900 -0.008 0.000 1.062 32 G CA 0.575 45.673 45.100 -0.003 0.000 0.798 32 G HN 0.446 nan 8.290 nan 0.000 0.496 33 K N -0.236 120.158 120.400 -0.011 0.000 2.148 33 K HA -0.000 4.320 4.320 -0.000 0.000 0.204 33 K C 2.612 179.225 176.600 0.022 0.000 1.050 33 K CA 1.549 57.829 56.287 -0.011 0.000 0.942 33 K CB -0.124 32.359 32.500 -0.029 0.000 0.724 33 K HN 0.442 nan 8.250 nan 0.000 0.446 34 S N 0.486 116.200 115.700 0.024 0.000 2.326 34 S HA -0.154 4.316 4.470 -0.000 0.000 0.211 34 S C 2.080 176.694 174.600 0.022 0.000 1.031 34 S CA 1.216 59.433 58.200 0.028 0.000 0.985 34 S CB -0.510 62.706 63.200 0.027 0.000 0.961 34 S HN 0.432 nan 8.310 nan 0.000 0.436 35 C N 1.801 121.110 119.300 0.015 0.000 2.396 35 C HA -0.145 4.315 4.460 -0.000 0.000 0.279 35 C C 2.498 177.503 174.990 0.025 0.000 1.229 35 C CA 0.655 59.679 59.018 0.010 0.000 1.801 35 C CB -1.639 26.104 27.740 0.006 0.000 2.050 35 C HN 0.528 nan 8.230 nan 0.000 0.491 36 L N -0.467 120.783 121.223 0.046 0.000 2.093 36 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 36 L C 2.418 179.372 176.870 0.140 0.000 1.085 36 L CA 1.397 56.294 54.840 0.097 0.000 0.755 36 L CB -0.191 41.925 42.059 0.096 0.000 0.904 36 L HN 0.368 nan 8.230 nan 0.000 0.435 37 L N -1.807 119.473 121.223 0.095 0.000 2.068 37 L HA -0.148 4.192 4.340 -0.000 0.000 0.204 37 L C 2.394 179.255 176.870 -0.014 0.000 1.076 37 L CA 0.676 55.549 54.840 0.055 0.000 0.753 37 L CB -0.390 41.684 42.059 0.025 0.000 0.910 37 L HN 0.012 nan 8.230 nan 0.000 0.439 38 V N 0.039 119.937 119.914 -0.027 0.000 2.231 38 V HA -0.400 3.720 4.120 -0.000 0.000 0.250 38 V C 2.613 178.661 176.094 -0.076 0.000 1.058 38 V CA 2.377 64.637 62.300 -0.066 0.000 1.022 38 V CB -0.799 30.992 31.823 -0.053 0.000 0.640 38 V HN 0.461 nan 8.190 nan 0.000 0.445 39 R N -0.854 119.628 120.500 -0.029 0.000 2.081 39 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 39 R C 2.258 178.547 176.300 -0.018 0.000 1.131 39 R CA 1.897 57.985 56.100 -0.020 0.000 0.960 39 R CB -0.381 29.933 30.300 0.024 0.000 0.856 39 R HN 0.487 nan 8.270 nan 0.000 0.436 40 F N 0.860 120.716 119.950 -0.156 0.000 2.171 40 F HA -0.021 4.506 4.527 -0.000 0.000 0.300 40 F C 0.198 175.828 175.800 -0.283 0.000 1.090 40 F CA 0.701 58.535 58.000 -0.277 0.000 1.293 40 F CB 0.071 38.670 39.000 -0.667 0.000 1.013 40 F HN -0.260 nan 8.300 nan 0.000 0.486 41 V N 1.565 121.191 119.914 -0.479 0.000 2.427 41 V HA 0.160 4.280 4.120 -0.000 0.000 0.286 41 V C -0.016 175.877 176.094 -0.336 0.000 1.034 41 V CA -0.838 61.142 62.300 -0.534 0.000 0.893 41 V CB 1.377 32.951 31.823 -0.415 0.000 0.982 41 V HN 0.044 nan 8.190 nan 0.000 0.452 42 E N 2.938 122.944 120.200 -0.323 0.000 2.261 42 E HA 0.193 4.542 4.350 -0.000 0.000 0.308 42 E C -0.768 175.697 176.600 -0.224 0.000 1.400 42 E CA -0.033 56.225 56.400 -0.238 0.000 1.542 42 E CB 0.077 29.652 29.700 -0.208 0.000 1.369 42 E HN 0.560 nan 8.360 nan 0.000 0.493 43 D N 0.873 121.138 120.400 -0.226 0.000 2.696 43 D HA 0.087 4.727 4.640 -0.000 0.000 0.251 43 D C 0.350 176.492 176.300 -0.265 0.000 1.188 43 D CA -0.572 53.289 54.000 -0.232 0.000 0.876 43 D CB 1.115 41.818 40.800 -0.162 0.000 1.334 43 D HN 0.093 nan 8.370 nan 0.000 0.540 44 K N 2.305 122.446 120.400 -0.433 0.000 2.323 44 K HA 0.156 4.475 4.320 -0.000 0.000 0.197 44 K C 1.342 177.742 176.600 -0.333 0.000 1.043 44 K CA 0.328 56.360 56.287 -0.426 0.000 0.997 44 K CB 0.149 32.319 32.500 -0.549 0.000 0.807 44 K HN 0.255 nan 8.250 nan 0.000 0.497 45 F N 2.140 122.046 119.950 -0.073 0.000 2.149 45 F HA 0.019 4.546 4.527 -0.000 0.000 0.294 45 F C 0.865 176.616 175.800 -0.081 0.000 1.095 45 F CA -0.281 57.679 58.000 -0.067 0.000 1.276 45 F CB -0.377 38.590 39.000 -0.055 0.000 1.023 45 F HN -0.054 nan 8.300 nan 0.000 0.480 46 N N 3.058 121.801 118.700 0.072 0.000 2.292 46 N HA -0.023 4.717 4.740 -0.000 0.000 0.258 46 N C -2.219 173.235 175.510 -0.094 0.000 1.261 46 N CA -0.830 52.212 53.050 -0.014 0.000 0.845 46 N CB 0.239 38.694 38.487 -0.055 0.000 1.064 46 N HN -0.022 nan 8.380 nan 0.000 0.471 47 P HA 0.083 nan 4.420 nan 0.000 0.277 47 P C -1.105 175.920 177.300 -0.458 0.000 1.271 47 P CA -0.452 62.433 63.100 -0.358 0.000 0.795 47 P CB 1.121 32.486 31.700 -0.559 0.000 1.101 48 S N -0.107 115.297 115.700 -0.494 0.000 2.669 48 S HA 0.410 4.880 4.470 -0.000 0.000 0.315 48 S C 0.021 174.420 174.600 -0.336 0.000 1.106 48 S CA -0.678 57.326 58.200 -0.327 0.000 1.107 48 S CB -0.520 62.593 63.200 -0.145 0.000 0.990 48 S HN 0.279 nan 8.310 nan 0.000 0.471 49 F N 3.168 123.149 119.950 0.051 0.000 2.698 49 F HA 0.240 4.766 4.527 -0.000 0.000 0.295 49 F C 1.816 177.661 175.800 0.076 0.000 1.124 49 F CA -0.248 57.788 58.000 0.060 0.000 1.426 49 F CB 0.033 39.069 39.000 0.060 0.000 1.120 49 F HN 0.584 nan 8.300 nan 0.000 0.583 50 I N 0.616 121.319 120.570 0.221 0.000 2.502 50 I HA -0.282 3.888 4.170 -0.000 0.000 0.258 50 I C 1.971 178.179 176.117 0.151 0.000 1.172 50 I CA 1.707 63.115 61.300 0.180 0.000 1.430 50 I CB -0.539 37.541 38.000 0.133 0.000 1.086 50 I HN 0.025 nan 8.210 nan 0.000 0.440 51 T N -1.173 113.459 114.554 0.130 0.000 2.978 51 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 51 T C 1.621 176.400 174.700 0.131 0.000 1.063 51 T CA 1.626 63.791 62.100 0.108 0.000 1.140 51 T CB -0.279 68.634 68.868 0.075 0.000 0.886 51 T HN 0.582 nan 8.240 nan 0.000 0.470 52 T N -0.477 114.181 114.554 0.173 0.000 3.085 52 T HA 0.249 4.599 4.350 -0.000 0.000 0.241 52 T C 1.779 176.601 174.700 0.203 0.000 0.988 52 T CA -0.193 62.015 62.100 0.181 0.000 1.117 52 T CB -0.171 68.819 68.868 0.203 0.000 0.978 52 T HN 0.045 nan 8.240 nan 0.000 0.454 53 I N 2.041 122.746 120.570 0.225 0.000 2.339 53 I HA 0.319 4.489 4.170 -0.000 0.000 0.245 53 I C 2.385 178.653 176.117 0.251 0.000 1.096 53 I CA 1.314 62.724 61.300 0.184 0.000 1.408 53 I CB -1.445 36.587 38.000 0.053 0.000 1.092 53 I HN 0.696 nan 8.210 nan 0.000 0.423 54 G N 0.647 109.586 108.800 0.230 0.000 2.179 54 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 54 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 54 G C 0.342 175.383 174.900 0.236 0.000 0.990 54 G CA 0.016 45.258 45.100 0.237 0.000 0.646 54 G HN 0.275 nan 8.290 nan 0.000 0.517 55 I N -0.360 120.346 120.570 0.227 0.000 2.994 55 I HA 0.664 4.833 4.170 -0.000 0.000 0.306 55 I C -1.414 174.889 176.117 0.311 0.000 1.195 55 I CA -0.966 60.501 61.300 0.278 0.000 1.001 55 I CB 2.544 40.701 38.000 0.262 0.000 1.244 55 I HN -0.033 nan 8.210 nan 0.000 0.437 56 D N 2.577 123.189 120.400 0.353 0.000 2.836 56 D HA 0.380 5.019 4.640 -0.000 0.000 0.215 56 D C -2.013 174.433 176.300 0.242 0.000 1.255 56 D CA -0.174 54.008 54.000 0.302 0.000 0.822 56 D CB 3.022 43.938 40.800 0.194 0.000 1.656 56 D HN 0.310 nan 8.370 nan 0.000 0.511 57 F N 2.297 122.193 119.950 -0.090 0.000 2.551 57 F HA 0.649 5.175 4.527 -0.000 0.000 0.316 57 F C -1.273 174.336 175.800 -0.318 0.000 1.089 57 F CA -0.351 57.365 58.000 -0.472 0.000 0.915 57 F CB 1.332 39.768 39.000 -0.939 0.000 1.186 57 F HN 0.072 nan 8.300 nan 0.000 0.456 58 K N 6.945 126.698 120.400 -1.077 0.000 2.535 58 K HA 0.538 4.858 4.320 -0.000 0.000 0.251 58 K C -1.407 174.628 176.600 -0.941 0.000 0.942 58 K CA -0.615 55.180 56.287 -0.820 0.000 0.798 58 K CB 2.697 34.949 32.500 -0.412 0.000 1.267 58 K HN 0.590 nan 8.250 nan 0.000 0.434 59 I N 2.047 122.206 120.570 -0.685 0.000 2.577 59 I HA 0.422 4.592 4.170 -0.000 0.000 0.305 59 I C -0.571 175.352 176.117 -0.324 0.000 0.986 59 I CA -0.873 60.145 61.300 -0.471 0.000 1.189 59 I CB 1.709 39.530 38.000 -0.299 0.000 1.355 59 I HN 0.454 nan 8.210 nan 0.000 0.476 60 K N 3.148 123.392 120.400 -0.261 0.000 2.670 60 K HA 0.243 4.563 4.320 -0.000 0.000 0.274 60 K C -1.273 175.209 176.600 -0.196 0.000 1.068 60 K CA -0.327 55.800 56.287 -0.266 0.000 0.967 60 K CB 0.980 33.254 32.500 -0.378 0.000 1.297 60 K HN 0.515 nan 8.250 nan 0.000 0.477 61 T N 3.461 117.918 114.554 -0.161 0.000 2.799 61 T HA 0.382 4.732 4.350 -0.000 0.000 0.296 61 T C -0.268 174.361 174.700 -0.118 0.000 0.947 61 T CA -0.204 61.827 62.100 -0.115 0.000 1.141 61 T CB 0.427 69.246 68.868 -0.081 0.000 0.891 61 T HN 0.316 nan 8.240 nan 0.000 0.533 62 V N 3.787 123.632 119.914 -0.114 0.000 3.141 62 V HA 0.731 4.851 4.120 -0.000 0.000 0.312 62 V C -0.662 175.389 176.094 -0.072 0.000 1.157 62 V CA -0.903 61.320 62.300 -0.129 0.000 1.041 62 V CB 2.449 34.086 31.823 -0.310 0.000 1.071 62 V HN 1.059 nan 8.190 nan 0.000 0.441 63 D N 0.860 121.268 120.400 0.013 0.000 2.639 63 D HA 0.636 5.276 4.640 -0.000 0.000 0.271 63 D C -1.541 174.888 176.300 0.215 0.000 1.254 63 D CA -0.389 53.655 54.000 0.073 0.000 0.810 63 D CB 2.460 43.296 40.800 0.061 0.000 1.351 63 D HN 0.521 nan 8.370 nan 0.000 0.427 64 I N -1.465 119.201 120.570 0.160 0.000 2.746 64 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 64 I C -0.987 175.188 176.117 0.098 0.000 1.600 64 I CA -1.098 60.306 61.300 0.175 0.000 1.019 64 I CB 1.770 39.922 38.000 0.253 0.000 1.426 64 I HN 0.421 nan 8.210 nan 0.000 0.460 65 N N 2.844 121.587 118.700 0.071 0.000 2.671 65 N HA -0.154 4.586 4.740 -0.000 0.000 0.261 65 N C 0.727 176.262 175.510 0.042 0.000 1.053 65 N CA 1.236 54.315 53.050 0.048 0.000 0.732 65 N CB -0.940 37.575 38.487 0.047 0.000 0.887 65 N HN 1.389 nan 8.380 nan 0.000 0.546 66 G N 0.821 109.644 108.800 0.039 0.000 2.332 66 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.277 66 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.277 66 G C 0.109 175.025 174.900 0.027 0.000 0.884 66 G CA 1.116 46.234 45.100 0.030 0.000 1.251 66 G HN 0.898 nan 8.290 nan 0.000 0.462 67 K N 0.062 120.481 120.400 0.031 0.000 2.604 67 K HA 0.498 4.818 4.320 -0.000 0.000 0.247 67 K C -0.176 176.433 176.600 0.014 0.000 0.956 67 K CA -1.285 55.016 56.287 0.022 0.000 0.896 67 K CB 1.917 34.431 32.500 0.025 0.000 1.131 67 K HN -0.064 nan 8.250 nan 0.000 0.440 68 K N 3.994 124.399 120.400 0.008 0.000 2.121 68 K HA 0.064 4.384 4.320 -0.000 0.000 0.235 68 K C -0.438 176.157 176.600 -0.008 0.000 1.200 68 K CA -0.103 56.183 56.287 -0.001 0.000 1.115 68 K CB -0.183 32.317 32.500 -0.001 0.000 1.474 68 K HN 0.648 nan 8.250 nan 0.000 0.295 69 V N 0.232 120.136 119.914 -0.016 0.000 2.483 69 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 69 V C -0.236 175.832 176.094 -0.044 0.000 1.035 69 V CA -1.047 61.238 62.300 -0.024 0.000 0.896 69 V CB 1.543 33.352 31.823 -0.024 0.000 0.986 69 V HN 0.280 nan 8.190 nan 0.000 0.447 70 K N 4.911 125.287 120.400 -0.042 0.000 2.235 70 K HA 0.663 4.983 4.320 -0.000 0.000 0.266 70 K C -1.077 175.482 176.600 -0.068 0.000 0.980 70 K CA -0.539 55.711 56.287 -0.062 0.000 0.849 70 K CB 1.987 34.457 32.500 -0.051 0.000 1.098 70 K HN 0.651 nan 8.250 nan 0.000 0.445 71 L N 3.182 124.348 121.223 -0.095 0.000 2.307 71 L HA 0.331 4.671 4.340 -0.000 0.000 0.282 71 L C -0.043 176.718 176.870 -0.181 0.000 1.051 71 L CA -0.708 54.075 54.840 -0.094 0.000 0.804 71 L CB 1.036 43.065 42.059 -0.051 0.000 1.197 71 L HN 0.473 nan 8.230 nan 0.000 0.431 72 Q N 4.867 124.557 119.800 -0.184 0.000 2.331 72 Q HA 0.699 5.039 4.340 -0.000 0.000 0.267 72 Q C -1.321 174.467 176.000 -0.353 0.000 1.006 72 Q CA -0.577 55.007 55.803 -0.365 0.000 0.818 72 Q CB 2.721 31.371 28.738 -0.146 0.000 1.276 72 Q HN 0.505 nan 8.270 nan 0.000 0.450 73 L N 0.431 121.316 121.223 -0.564 0.000 2.410 73 L HA 0.644 4.984 4.340 -0.000 0.000 0.270 73 L C -1.186 175.430 176.870 -0.423 0.000 0.983 73 L CA -0.937 53.703 54.840 -0.333 0.000 0.822 73 L CB 1.349 43.313 42.059 -0.158 0.000 1.285 73 L HN 0.534 nan 8.230 nan 0.000 0.409 74 W N 1.115 122.351 121.300 -0.107 0.000 2.520 74 W HA 0.520 5.179 4.660 -0.000 0.000 0.323 74 W C -0.400 176.085 176.519 -0.056 0.000 1.062 74 W CA 0.039 57.313 57.345 -0.117 0.000 1.215 74 W CB 1.837 31.099 29.460 -0.330 0.000 1.340 74 W HN 0.419 nan 8.180 nan 0.000 0.516 75 D N 1.574 122.126 120.400 0.253 0.000 2.593 75 D HA 0.369 5.008 4.640 -0.000 0.000 0.251 75 D C -0.895 175.537 176.300 0.220 0.000 1.140 75 D CA -0.308 53.795 54.000 0.172 0.000 0.855 75 D CB 1.578 42.443 40.800 0.108 0.000 1.267 75 D HN 0.211 nan 8.370 nan 0.000 0.532 76 T N 0.932 115.601 114.554 0.192 0.000 2.908 76 T HA 0.656 5.006 4.350 -0.000 0.000 0.290 76 T C 0.405 175.211 174.700 0.177 0.000 1.034 76 T CA -0.433 61.796 62.100 0.216 0.000 1.010 76 T CB 1.559 70.575 68.868 0.247 0.000 1.068 76 T HN 0.330 nan 8.240 nan 0.000 0.481 77 A N 1.505 124.438 122.820 0.188 0.000 2.302 77 A HA 0.557 4.877 4.320 -0.000 0.000 0.219 77 A C 2.000 179.697 177.584 0.188 0.000 1.243 77 A CA 0.725 52.863 52.037 0.169 0.000 0.856 77 A CB -1.460 17.636 19.000 0.160 0.000 0.893 77 A HN 2.012 nan 8.150 nan 0.000 0.491 78 G N 0.603 109.533 108.800 0.217 0.000 2.916 78 G HA2 -0.499 3.461 3.960 -0.000 0.000 0.234 78 G HA3 -0.499 3.461 3.960 -0.000 0.000 0.234 78 G C 0.628 175.634 174.900 0.176 0.000 1.147 78 G CA 0.937 46.182 45.100 0.242 0.000 0.788 78 G HN 1.501 nan 8.290 nan 0.000 0.536 79 Q N 1.064 120.955 119.800 0.152 0.000 3.089 79 Q HA 0.054 4.394 4.340 -0.000 0.000 0.398 79 Q C 1.460 177.501 176.000 0.068 0.000 1.125 79 Q CA 1.437 57.303 55.803 0.104 0.000 1.180 79 Q CB 0.107 28.908 28.738 0.104 0.000 1.134 79 Q HN 0.728 nan 8.270 nan 0.000 0.478 80 E N 3.437 123.652 120.200 0.025 0.000 2.160 80 E HA -0.386 3.964 4.350 -0.000 0.000 0.237 80 E C 1.300 177.864 176.600 -0.060 0.000 1.069 80 E CA 2.078 58.467 56.400 -0.018 0.000 0.950 80 E CB -0.565 29.114 29.700 -0.035 0.000 0.832 80 E HN 0.781 nan 8.360 nan 0.000 0.496 81 R N 0.039 120.457 120.500 -0.137 0.000 2.832 81 R HA -0.269 4.071 4.340 -0.000 0.000 0.228 81 R C 1.683 177.800 176.300 -0.305 0.000 0.625 81 R CA 2.424 58.319 56.100 -0.343 0.000 0.751 81 R CB -0.992 28.942 30.300 -0.610 0.000 0.594 81 R HN 0.352 nan 8.270 nan 0.000 0.424 82 F N 1.345 121.286 119.950 -0.016 0.000 2.729 82 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 82 F C 2.090 177.840 175.800 -0.083 0.000 1.292 82 F CA 0.603 58.573 58.000 -0.049 0.000 1.450 82 F CB -0.576 38.399 39.000 -0.042 0.000 1.109 82 F HN 0.318 nan 8.300 nan 0.000 0.561 83 R N 0.485 121.010 120.500 0.041 0.000 2.159 83 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 83 R C 1.649 177.917 176.300 -0.053 0.000 1.131 83 R CA 1.750 57.852 56.100 0.003 0.000 0.982 83 R CB -0.446 29.848 30.300 -0.010 0.000 0.868 83 R HN 0.250 nan 8.270 nan 0.000 0.453 84 T N 0.612 115.138 114.554 -0.046 0.000 2.881 84 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 84 T C 1.671 176.296 174.700 -0.124 0.000 1.068 84 T CA 1.415 63.474 62.100 -0.068 0.000 1.131 84 T CB -0.012 68.831 68.868 -0.042 0.000 0.871 84 T HN 0.292 nan 8.240 nan 0.000 0.479 85 I N 1.234 121.706 120.570 -0.163 0.000 2.729 85 I HA -0.042 4.128 4.170 -0.000 0.000 0.256 85 I C 2.797 178.443 176.117 -0.785 0.000 1.115 85 I CA 0.983 62.063 61.300 -0.367 0.000 1.446 85 I CB -1.038 36.784 38.000 -0.296 0.000 1.176 85 I HN 0.215 nan 8.210 nan 0.000 0.446 86 T N -1.066 113.103 114.554 -0.641 0.000 2.802 86 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 86 T C 1.757 176.195 174.700 -0.436 0.000 1.062 86 T CA 2.061 63.720 62.100 -0.734 0.000 1.133 86 T CB -1.017 67.800 68.868 -0.085 0.000 0.852 86 T HN 0.227 nan 8.240 nan 0.000 0.485 87 T N 1.882 116.295 114.554 -0.235 0.000 2.867 87 T HA 0.159 4.509 4.350 -0.000 0.000 0.268 87 T C 2.350 177.014 174.700 -0.059 0.000 1.057 87 T CA 0.992 63.042 62.100 -0.083 0.000 1.136 87 T CB -0.612 68.144 68.868 -0.185 0.000 0.874 87 T HN 0.619 nan 8.240 nan 0.000 0.466 88 A N -0.028 122.639 122.820 -0.256 0.000 2.172 88 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 88 A C 1.753 179.314 177.584 -0.038 0.000 1.154 88 A CA 0.768 52.711 52.037 -0.156 0.000 0.701 88 A CB -0.856 18.017 19.000 -0.212 0.000 0.789 88 A HN 0.712 nan 8.150 nan 0.000 0.465 89 Y N -2.410 117.823 120.300 -0.111 0.000 2.337 89 Y HA -0.198 4.352 4.550 -0.000 0.000 0.293 89 Y C 2.134 178.005 175.900 -0.049 0.000 1.123 89 Y CA 0.770 58.737 58.100 -0.221 0.000 1.201 89 Y CB -0.242 37.916 38.460 -0.504 0.000 1.011 89 Y HN 0.409 nan 8.280 nan 0.000 0.545 90 Y N -0.117 120.224 120.300 0.069 0.000 2.163 90 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 90 Y C 2.527 178.475 175.900 0.080 0.000 1.136 90 Y CA 1.033 59.174 58.100 0.069 0.000 1.147 90 Y CB -0.657 37.811 38.460 0.013 0.000 0.987 90 Y HN -0.059 nan 8.280 nan 0.000 0.509 91 R N 0.278 120.930 120.500 0.253 0.000 2.211 91 R HA -0.152 4.188 4.340 -0.000 0.000 0.240 91 R C 1.926 178.309 176.300 0.139 0.000 1.144 91 R CA 1.534 57.730 56.100 0.161 0.000 0.992 91 R CB -0.564 29.803 30.300 0.111 0.000 0.869 91 R HN 0.480 nan 8.270 nan 0.000 0.462 92 G N -0.675 108.219 108.800 0.158 0.000 2.784 92 G HA2 0.212 4.172 3.960 -0.000 0.000 0.208 92 G HA3 0.212 4.172 3.960 -0.000 0.000 0.208 92 G C 0.113 175.102 174.900 0.149 0.000 1.120 92 G CA 0.177 45.367 45.100 0.149 0.000 0.774 92 G HN 0.421 nan 8.290 nan 0.000 0.528 93 A N 0.582 123.495 122.820 0.155 0.000 2.598 93 A HA 0.283 4.603 4.320 -0.000 0.000 0.239 93 A C 1.279 178.924 177.584 0.102 0.000 1.032 93 A CA 0.535 52.650 52.037 0.130 0.000 0.760 93 A CB 0.034 19.097 19.000 0.104 0.000 0.946 93 A HN 0.318 nan 8.150 nan 0.000 0.512 94 M N 1.889 121.541 119.600 0.087 0.000 2.441 94 M HA 0.194 4.674 4.480 -0.000 0.000 0.244 94 M C 0.907 177.237 176.300 0.051 0.000 1.122 94 M CA 1.097 56.436 55.300 0.066 0.000 1.041 94 M CB 0.396 33.030 32.600 0.057 0.000 1.438 94 M HN 0.881 nan 8.290 nan 0.000 0.484 95 G N 1.143 109.973 108.800 0.050 0.000 2.655 95 G HA2 0.518 4.477 3.960 -0.000 0.000 0.296 95 G HA3 0.518 4.477 3.960 -0.000 0.000 0.296 95 G C -2.168 172.747 174.900 0.025 0.000 1.485 95 G CA -0.588 44.531 45.100 0.031 0.000 0.869 95 G HN 0.100 nan 8.290 nan 0.000 0.540 96 I N -0.074 120.507 120.570 0.018 0.000 2.656 96 I HA 0.800 4.970 4.170 -0.000 0.000 0.292 96 I C -1.777 174.330 176.117 -0.017 0.000 1.144 96 I CA -1.457 59.845 61.300 0.004 0.000 1.038 96 I CB 1.983 39.999 38.000 0.027 0.000 1.244 96 I HN 0.323 nan 8.210 nan 0.000 0.420 97 I N 7.479 128.010 120.570 -0.065 0.000 2.307 97 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 97 I C -0.767 175.305 176.117 -0.075 0.000 1.021 97 I CA -0.161 61.077 61.300 -0.104 0.000 1.224 97 I CB 1.137 39.003 38.000 -0.223 0.000 1.376 97 I HN 0.445 nan 8.210 nan 0.000 0.470 98 L N 7.827 129.041 121.223 -0.015 0.000 2.283 98 L HA 0.446 4.786 4.340 -0.000 0.000 0.287 98 L C -0.159 176.698 176.870 -0.021 0.000 1.073 98 L CA -0.139 54.700 54.840 -0.002 0.000 0.822 98 L CB 0.428 42.559 42.059 0.119 0.000 1.186 98 L HN 0.218 nan 8.230 nan 0.000 0.436 99 V N 3.572 123.423 119.914 -0.105 0.000 2.667 99 V HA 0.623 4.743 4.120 -0.000 0.000 0.308 99 V C -0.651 175.441 176.094 -0.004 0.000 1.048 99 V CA -0.780 61.465 62.300 -0.091 0.000 0.928 99 V CB 1.551 33.281 31.823 -0.156 0.000 1.004 99 V HN 0.648 nan 8.190 nan 0.000 0.444 100 Y N -0.000 120.253 120.300 -0.077 0.000 2.544 100 Y HA 0.763 5.313 4.550 -0.000 0.000 0.342 100 Y C -1.077 174.841 175.900 0.030 0.000 1.062 100 Y CA -1.516 56.569 58.100 -0.024 0.000 1.023 100 Y CB 1.486 39.942 38.460 -0.006 0.000 1.308 100 Y HN 0.551 nan 8.280 nan 0.000 0.457 101 D N 1.574 122.068 120.400 0.157 0.000 2.210 101 D HA 0.256 4.896 4.640 -0.000 0.000 0.249 101 D C 0.660 177.098 176.300 0.231 0.000 1.078 101 D CA -0.406 53.650 54.000 0.092 0.000 0.875 101 D CB 2.182 43.036 40.800 0.090 0.000 1.175 101 D HN 0.725 nan 8.370 nan 0.000 0.440 102 V N 1.510 121.513 119.914 0.148 0.000 3.649 102 V HA 0.110 4.230 4.120 -0.000 0.000 0.275 102 V C 1.293 177.470 176.094 0.139 0.000 1.281 102 V CA 1.106 63.537 62.300 0.219 0.000 1.143 102 V CB -0.563 31.366 31.823 0.177 0.000 0.892 102 V HN 0.670 nan 8.190 nan 0.000 0.441 103 T N -3.938 110.679 114.554 0.105 0.000 3.040 103 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 103 T C 0.246 174.994 174.700 0.079 0.000 1.058 103 T CA 0.045 62.189 62.100 0.074 0.000 0.988 103 T CB -0.011 68.888 68.868 0.052 0.000 0.993 103 T HN 0.475 nan 8.240 nan 0.000 0.519 104 D N 1.286 121.752 120.400 0.110 0.000 2.505 104 D HA 0.311 4.951 4.640 -0.000 0.000 0.249 104 D C 0.479 176.862 176.300 0.139 0.000 1.082 104 D CA -0.425 53.640 54.000 0.109 0.000 0.839 104 D CB 2.351 43.219 40.800 0.113 0.000 1.317 104 D HN 0.287 nan 8.370 nan 0.000 0.497 105 E N 1.066 121.328 120.200 0.103 0.000 2.086 105 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 105 E C 1.781 178.466 176.600 0.143 0.000 0.975 105 E CA 0.267 56.726 56.400 0.097 0.000 0.813 105 E CB 0.297 30.016 29.700 0.032 0.000 0.768 105 E HN 0.296 nan 8.360 nan 0.000 0.457 106 R N 1.244 121.817 120.500 0.123 0.000 2.249 106 R HA -0.049 4.291 4.340 -0.000 0.000 0.230 106 R C 1.621 178.025 176.300 0.174 0.000 1.121 106 R CA 1.049 57.228 56.100 0.132 0.000 0.997 106 R CB -1.418 28.946 30.300 0.106 0.000 0.867 106 R HN 0.053 nan 8.270 nan 0.000 0.465 107 T N 1.471 116.143 114.554 0.196 0.000 2.701 107 T HA -0.074 4.276 4.350 -0.000 0.000 0.263 107 T C 1.430 176.273 174.700 0.238 0.000 1.040 107 T CA 1.362 63.596 62.100 0.224 0.000 1.147 107 T CB -0.399 68.614 68.868 0.241 0.000 0.865 107 T HN 0.226 nan 8.240 nan 0.000 0.426 108 F N 2.522 122.509 119.950 0.062 0.000 2.046 108 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 108 F C 2.697 178.457 175.800 -0.066 0.000 1.123 108 F CA 2.171 60.103 58.000 -0.113 0.000 1.199 108 F CB -0.943 37.976 39.000 -0.134 0.000 0.972 108 F HN 0.270 nan 8.300 nan 0.000 0.474 109 T N -0.744 113.994 114.554 0.306 0.000 2.564 109 T HA -0.388 3.962 4.350 -0.000 0.000 0.264 109 T C 1.812 176.585 174.700 0.121 0.000 1.100 109 T CA 1.936 64.157 62.100 0.202 0.000 1.171 109 T CB -1.342 67.623 68.868 0.160 0.000 0.863 109 T HN 0.427 nan 8.240 nan 0.000 0.430 110 N N 1.531 120.332 118.700 0.169 0.000 2.334 110 N HA -0.068 4.672 4.740 -0.000 0.000 0.187 110 N C 1.940 177.642 175.510 0.320 0.000 1.016 110 N CA 1.495 54.688 53.050 0.238 0.000 0.879 110 N CB -0.498 38.213 38.487 0.374 0.000 0.965 110 N HN 0.564 nan 8.380 nan 0.000 0.438 111 I N 1.568 122.242 120.570 0.173 0.000 2.248 111 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 111 I C 2.302 178.516 176.117 0.162 0.000 1.107 111 I CA 1.349 62.723 61.300 0.123 0.000 1.373 111 I CB -0.240 37.628 38.000 -0.221 0.000 1.055 111 I HN 0.082 nan 8.210 nan 0.000 0.418 112 K N 0.058 120.500 120.400 0.070 0.000 2.057 112 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 112 K C 2.269 178.996 176.600 0.212 0.000 1.049 112 K CA 1.225 57.574 56.287 0.102 0.000 0.931 112 K CB -0.174 32.352 32.500 0.043 0.000 0.714 112 K HN 0.210 nan 8.250 nan 0.000 0.440 113 Q N 0.272 120.166 119.800 0.158 0.000 1.967 113 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 113 Q C 1.821 177.891 176.000 0.116 0.000 0.985 113 Q CA 1.796 57.649 55.803 0.083 0.000 0.839 113 Q CB -0.580 28.142 28.738 -0.028 0.000 0.906 113 Q HN 0.356 nan 8.270 nan 0.000 0.423 114 W N -0.046 121.323 121.300 0.115 0.000 2.325 114 W HA -0.226 4.434 4.660 -0.000 0.000 0.299 114 W C 2.160 178.770 176.519 0.150 0.000 1.215 114 W CA 1.164 58.589 57.345 0.132 0.000 1.244 114 W CB -0.799 28.746 29.460 0.142 0.000 1.140 114 W HN 0.225 nan 8.180 nan 0.000 0.523 115 F N 1.359 121.470 119.950 0.269 0.000 2.126 115 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 115 F C 2.238 178.111 175.800 0.123 0.000 1.096 115 F CA 1.967 60.069 58.000 0.169 0.000 1.255 115 F CB -0.538 38.522 39.000 0.099 0.000 0.997 115 F HN -0.258 nan 8.300 nan 0.000 0.479 116 K N -0.588 119.892 120.400 0.135 0.000 2.026 116 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 116 K C 1.918 178.485 176.600 -0.055 0.000 1.048 116 K CA 2.064 58.356 56.287 0.008 0.000 0.929 116 K CB -0.670 31.855 32.500 0.042 0.000 0.713 116 K HN 0.229 nan 8.250 nan 0.000 0.439 117 T N 1.028 115.581 114.554 -0.001 0.000 2.822 117 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 117 T C 1.904 176.639 174.700 0.058 0.000 1.064 117 T CA 1.253 63.360 62.100 0.011 0.000 1.131 117 T CB -0.148 68.709 68.868 -0.018 0.000 0.858 117 T HN -0.022 nan 8.240 nan 0.000 0.483 118 V N 2.229 122.175 119.914 0.053 0.000 2.488 118 V HA -0.077 4.043 4.120 -0.000 0.000 0.246 118 V C 2.292 178.360 176.094 -0.042 0.000 1.046 118 V CA 1.083 63.435 62.300 0.088 0.000 1.053 118 V CB -0.495 31.362 31.823 0.056 0.000 0.679 118 V HN 0.467 nan 8.190 nan 0.000 0.458 119 N N 0.463 119.033 118.700 -0.217 0.000 2.223 119 N HA -0.162 4.577 4.740 -0.000 0.000 0.185 119 N C 1.727 177.153 175.510 -0.141 0.000 1.016 119 N CA 1.215 54.140 53.050 -0.209 0.000 0.863 119 N CB -0.115 38.216 38.487 -0.260 0.000 0.983 119 N HN 0.616 nan 8.380 nan 0.000 0.429 120 E N 0.201 120.297 120.200 -0.174 0.000 2.012 120 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 120 E C 1.468 177.837 176.600 -0.386 0.000 1.007 120 E CA 1.538 57.726 56.400 -0.352 0.000 0.816 120 E CB -0.094 29.230 29.700 -0.627 0.000 0.762 120 E HN 0.610 nan 8.360 nan 0.000 0.451 121 H N -0.422 118.560 119.070 -0.147 0.000 2.439 121 H HA 0.351 4.907 4.556 -0.000 0.000 0.299 121 H C 0.337 175.659 175.328 -0.010 0.000 1.033 121 H CA 0.324 56.309 56.048 -0.105 0.000 1.348 121 H CB -0.265 29.378 29.762 -0.198 0.000 1.449 121 H HN 0.078 nan 8.280 nan 0.000 0.544 122 A N 3.264 126.203 122.820 0.198 0.000 2.553 122 A HA -0.050 4.270 4.320 -0.000 0.000 0.258 122 A C 0.387 178.025 177.584 0.091 0.000 1.069 122 A CA -0.120 52.025 52.037 0.181 0.000 0.767 122 A CB -0.541 18.563 19.000 0.173 0.000 0.997 122 A HN 0.627 nan 8.150 nan 0.000 0.512 123 N N 3.490 122.244 118.700 0.091 0.000 2.416 123 N HA -0.068 4.672 4.740 -0.000 0.000 0.291 123 N C -0.324 175.215 175.510 0.047 0.000 1.257 123 N CA 0.061 53.145 53.050 0.056 0.000 1.043 123 N CB 0.327 38.849 38.487 0.059 0.000 1.441 123 N HN 0.583 nan 8.380 nan 0.000 0.490 124 D N 0.688 121.104 120.400 0.027 0.000 2.434 124 D HA -0.243 4.397 4.640 -0.000 0.000 0.215 124 D C 0.686 177.007 176.300 0.035 0.000 0.981 124 D CA 0.943 54.954 54.000 0.019 0.000 0.995 124 D CB 0.142 40.942 40.800 -0.001 0.000 0.854 124 D HN 0.754 nan 8.370 nan 0.000 0.490 125 E N 0.005 120.228 120.200 0.040 0.000 2.445 125 E HA 0.178 4.528 4.350 -0.000 0.000 0.189 125 E C 0.024 176.653 176.600 0.048 0.000 1.069 125 E CA -0.321 56.104 56.400 0.042 0.000 0.871 125 E CB 0.244 29.967 29.700 0.038 0.000 0.991 125 E HN 0.122 nan 8.360 nan 0.000 0.481 126 A N 1.126 123.979 122.820 0.054 0.000 2.340 126 A HA 0.211 4.531 4.320 -0.000 0.000 0.268 126 A C -0.097 177.523 177.584 0.060 0.000 1.100 126 A CA -0.468 51.605 52.037 0.060 0.000 0.803 126 A CB 0.904 19.947 19.000 0.071 0.000 1.043 126 A HN 0.209 nan 8.150 nan 0.000 0.488 127 Q N 2.144 121.975 119.800 0.052 0.000 2.389 127 Q HA 0.411 4.751 4.340 -0.000 0.000 0.244 127 Q C -0.673 175.358 176.000 0.052 0.000 1.056 127 Q CA 0.080 55.912 55.803 0.049 0.000 0.908 127 Q CB 0.048 28.804 28.738 0.029 0.000 1.273 127 Q HN 0.605 nan 8.270 nan 0.000 0.471 128 L N 3.601 124.876 121.223 0.086 0.000 2.479 128 L HA 0.561 4.901 4.340 -0.000 0.000 0.249 128 L C -0.417 176.499 176.870 0.077 0.000 1.178 128 L CA -0.874 54.032 54.840 0.110 0.000 0.811 128 L CB 0.728 42.919 42.059 0.220 0.000 1.187 128 L HN 0.725 nan 8.230 nan 0.000 0.480 129 L N 1.250 122.515 121.223 0.070 0.000 2.751 129 L HA 0.309 4.649 4.340 -0.000 0.000 0.261 129 L C -1.140 175.759 176.870 0.049 0.000 0.927 129 L CA -0.228 54.630 54.840 0.030 0.000 0.968 129 L CB 1.410 43.432 42.059 -0.061 0.000 1.432 129 L HN 0.241 nan 8.230 nan 0.000 0.439 130 L N 4.894 126.195 121.223 0.130 0.000 2.397 130 L HA 0.552 4.892 4.340 -0.000 0.000 0.271 130 L C -0.626 176.301 176.870 0.096 0.000 1.148 130 L CA 0.019 55.008 54.840 0.250 0.000 0.825 130 L CB 1.588 43.949 42.059 0.502 0.000 1.117 130 L HN 0.500 nan 8.230 nan 0.000 0.456 131 V N 3.204 123.144 119.914 0.044 0.000 2.509 131 V HA 0.348 4.468 4.120 -0.000 0.000 0.289 131 V C 0.421 176.182 176.094 -0.556 0.000 1.026 131 V CA -0.795 61.323 62.300 -0.303 0.000 0.872 131 V CB 1.626 33.270 31.823 -0.299 0.000 1.017 131 V HN 0.915 nan 8.190 nan 0.000 0.436 132 G N 3.010 111.412 108.800 -0.664 0.000 2.365 132 G HA2 0.421 4.380 3.960 -0.000 0.000 0.293 132 G HA3 0.421 4.380 3.960 -0.000 0.000 0.293 132 G C -0.356 174.244 174.900 -0.500 0.000 1.128 132 G CA -0.060 44.517 45.100 -0.871 0.000 0.971 132 G HN 0.622 nan 8.290 nan 0.000 0.422 133 N N 0.964 119.385 118.700 -0.466 0.000 2.563 133 N HA 0.373 5.113 4.740 -0.000 0.000 0.288 133 N C 0.655 176.087 175.510 -0.130 0.000 1.246 133 N CA -0.832 52.074 53.050 -0.239 0.000 0.946 133 N CB 0.856 39.222 38.487 -0.201 0.000 1.213 133 N HN 0.406 nan 8.380 nan 0.000 0.578 134 K N -1.032 119.321 120.400 -0.078 0.000 3.069 134 K HA -0.145 4.175 4.320 -0.000 0.000 0.267 134 K C -0.321 176.267 176.600 -0.019 0.000 1.082 134 K CA 0.754 57.020 56.287 -0.035 0.000 0.782 134 K CB -1.919 30.572 32.500 -0.015 0.000 1.230 134 K HN 0.592 nan 8.250 nan 0.000 0.488 135 S N -0.225 115.458 115.700 -0.029 0.000 2.803 135 S HA -0.052 4.418 4.470 -0.000 0.000 0.226 135 S C 0.951 175.551 174.600 -0.001 0.000 0.962 135 S CA 0.149 58.346 58.200 -0.006 0.000 0.968 135 S CB 0.128 63.323 63.200 -0.009 0.000 0.786 135 S HN 0.221 nan 8.310 nan 0.000 0.527 136 D N 2.530 122.928 120.400 -0.003 0.000 2.083 136 D HA 0.032 4.672 4.640 -0.000 0.000 0.225 136 D C 0.953 177.256 176.300 0.006 0.000 0.974 136 D CA 0.703 54.702 54.000 -0.000 0.000 0.906 136 D CB -0.317 40.482 40.800 -0.001 0.000 1.028 136 D HN 0.365 nan 8.370 nan 0.000 0.446 137 M N 0.839 120.444 119.600 0.008 0.000 2.214 137 M HA -0.080 4.400 4.480 -0.000 0.000 0.306 137 M C 0.236 176.545 176.300 0.015 0.000 0.998 137 M CA 1.206 56.513 55.300 0.012 0.000 1.071 137 M CB 0.168 32.777 32.600 0.015 0.000 1.466 137 M HN -0.026 nan 8.290 nan 0.000 0.433 138 E N 0.451 120.659 120.200 0.015 0.000 3.312 138 E HA 0.171 4.521 4.350 -0.000 0.000 0.215 138 E C -0.275 176.336 176.600 0.018 0.000 1.160 138 E CA -0.164 56.246 56.400 0.017 0.000 1.267 138 E CB 0.254 29.963 29.700 0.014 0.000 1.361 138 E HN 0.646 nan 8.360 nan 0.000 0.433 139 T N 0.110 114.677 114.554 0.022 0.000 3.145 139 T HA 0.056 4.406 4.350 -0.000 0.000 0.255 139 T C 1.004 175.721 174.700 0.029 0.000 1.039 139 T CA -0.413 61.700 62.100 0.023 0.000 0.928 139 T CB -0.014 68.869 68.868 0.025 0.000 1.029 139 T HN 0.171 nan 8.240 nan 0.000 0.554 140 R N 2.971 123.491 120.500 0.032 0.000 4.227 140 R HA -0.086 4.254 4.340 -0.000 0.000 0.139 140 R C 1.369 177.691 176.300 0.036 0.000 0.878 140 R CA -0.018 56.108 56.100 0.044 0.000 0.934 140 R CB -0.997 29.329 30.300 0.042 0.000 1.182 140 R HN 0.388 nan 8.270 nan 0.000 0.458 141 V N -0.788 119.146 119.914 0.034 0.000 3.440 141 V HA -0.025 4.095 4.120 -0.000 0.000 0.274 141 V C 0.697 176.778 176.094 -0.020 0.000 1.207 141 V CA 0.574 62.879 62.300 0.008 0.000 1.183 141 V CB -0.421 31.410 31.823 0.013 0.000 0.837 141 V HN 0.061 nan 8.190 nan 0.000 0.532 142 V N -0.306 119.616 119.914 0.013 0.000 3.114 142 V HA 0.717 4.837 4.120 -0.000 0.000 0.308 142 V C -0.079 176.042 176.094 0.044 0.000 1.168 142 V CA 0.124 62.414 62.300 -0.016 0.000 1.015 142 V CB 2.257 34.121 31.823 0.068 0.000 1.050 142 V HN 0.543 nan 8.190 nan 0.000 0.433 143 T N -0.616 113.953 114.554 0.026 0.000 2.908 143 T HA 0.694 5.044 4.350 -0.000 0.000 0.290 143 T C 1.048 175.810 174.700 0.104 0.000 1.034 143 T CA 0.142 62.276 62.100 0.057 0.000 1.010 143 T CB 1.972 70.847 68.868 0.011 0.000 1.068 143 T HN 1.119 nan 8.240 nan 0.000 0.481 144 A N 1.564 124.463 122.820 0.132 0.000 1.958 144 A HA -0.142 4.177 4.320 -0.000 0.000 0.221 144 A C 1.982 179.584 177.584 0.031 0.000 1.178 144 A CA 2.099 54.245 52.037 0.182 0.000 0.642 144 A CB -1.059 18.053 19.000 0.187 0.000 0.816 144 A HN 0.948 nan 8.150 nan 0.000 0.453 145 D N -0.622 119.780 120.400 0.004 0.000 2.117 145 D HA -0.144 4.495 4.640 -0.000 0.000 0.198 145 D C 2.240 178.487 176.300 -0.088 0.000 0.982 145 D CA 1.452 55.424 54.000 -0.047 0.000 0.828 145 D CB -0.345 40.439 40.800 -0.026 0.000 0.967 145 D HN 0.659 nan 8.370 nan 0.000 0.464 146 Q N 0.260 120.027 119.800 -0.054 0.000 2.045 146 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 146 Q C 2.343 178.361 176.000 0.030 0.000 0.991 146 Q CA 1.559 57.341 55.803 -0.034 0.000 0.851 146 Q CB -0.463 28.203 28.738 -0.121 0.000 0.911 146 Q HN 0.260 nan 8.270 nan 0.000 0.418 147 G N 1.166 109.949 108.800 -0.029 0.000 2.432 147 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 147 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 147 G C 1.010 175.432 174.900 -0.796 0.000 1.135 147 G CA 0.522 45.430 45.100 -0.319 0.000 0.767 147 G HN 0.353 nan 8.290 nan 0.000 0.550 148 E N 0.510 120.221 120.200 -0.816 0.000 2.478 148 E HA 0.153 4.503 4.350 -0.000 0.000 0.198 148 E C 2.577 179.022 176.600 -0.258 0.000 1.046 148 E CA 0.259 56.325 56.400 -0.556 0.000 0.870 148 E CB 0.073 29.588 29.700 -0.308 0.000 0.818 148 E HN 0.458 nan 8.360 nan 0.000 0.527 149 A N 1.360 124.057 122.820 -0.205 0.000 1.835 149 A HA -0.088 4.232 4.320 -0.000 0.000 0.213 149 A C 2.183 179.691 177.584 -0.126 0.000 1.210 149 A CA 0.618 52.586 52.037 -0.115 0.000 0.605 149 A CB -0.613 18.350 19.000 -0.061 0.000 0.860 149 A HN 0.125 nan 8.150 nan 0.000 0.447 150 L N -0.086 121.050 121.223 -0.146 0.000 2.013 150 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 150 L C 2.966 179.703 176.870 -0.221 0.000 1.073 150 L CA 1.462 56.183 54.840 -0.198 0.000 0.753 150 L CB -0.976 40.903 42.059 -0.299 0.000 0.890 150 L HN 0.377 nan 8.230 nan 0.000 0.432 151 A N 0.318 123.020 122.820 -0.197 0.000 1.892 151 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 151 A C 2.486 180.010 177.584 -0.101 0.000 1.188 151 A CA 2.326 54.293 52.037 -0.117 0.000 0.631 151 A CB -0.576 18.407 19.000 -0.029 0.000 0.822 151 A HN 0.421 nan 8.150 nan 0.000 0.447 152 K N -0.361 119.981 120.400 -0.097 0.000 2.155 152 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 152 K C 1.797 178.350 176.600 -0.078 0.000 1.052 152 K CA 1.340 57.587 56.287 -0.065 0.000 0.948 152 K CB -0.124 32.344 32.500 -0.053 0.000 0.728 152 K HN 0.647 nan 8.250 nan 0.000 0.448 153 E N 0.333 120.467 120.200 -0.111 0.000 2.150 153 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 153 E C 1.773 178.280 176.600 -0.155 0.000 0.985 153 E CA 0.885 57.217 56.400 -0.114 0.000 0.814 153 E CB 0.079 29.704 29.700 -0.125 0.000 0.752 153 E HN 0.309 nan 8.360 nan 0.000 0.466 154 L N -0.667 120.406 121.223 -0.250 0.000 2.446 154 L HA 0.172 4.512 4.340 -0.000 0.000 0.219 154 L C 1.302 178.102 176.870 -0.117 0.000 1.116 154 L CA 0.360 54.966 54.840 -0.391 0.000 0.844 154 L CB 0.067 41.643 42.059 -0.806 0.000 0.970 154 L HN 0.193 nan 8.230 nan 0.000 0.457 155 G N 1.802 110.566 108.800 -0.060 0.000 2.212 155 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.255 155 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.255 155 G C 0.010 174.936 174.900 0.044 0.000 1.062 155 G CA 0.455 45.561 45.100 0.010 0.000 0.815 155 G HN 0.454 nan 8.290 nan 0.000 0.497 156 I N -3.293 117.295 120.570 0.030 0.000 2.769 156 I HA 0.758 4.928 4.170 -0.000 0.000 0.298 156 I C -2.178 173.981 176.117 0.070 0.000 1.128 156 I CA -3.097 58.243 61.300 0.066 0.000 1.031 156 I CB 2.309 40.371 38.000 0.104 0.000 1.235 156 I HN -0.062 nan 8.210 nan 0.000 0.423 157 P HA 0.207 nan 4.420 nan 0.000 0.274 157 P C -1.242 176.166 177.300 0.180 0.000 1.264 157 P CA 0.302 63.462 63.100 0.100 0.000 0.795 157 P CB 0.782 32.517 31.700 0.058 0.000 1.064 158 F N -0.656 119.291 119.950 -0.005 0.000 2.662 158 F HA 0.678 5.205 4.527 -0.000 0.000 0.312 158 F C -1.239 174.553 175.800 -0.012 0.000 1.113 158 F CA -0.711 57.289 58.000 0.000 0.000 0.951 158 F CB 1.366 40.381 39.000 0.025 0.000 1.344 158 F HN 0.224 nan 8.300 nan 0.000 0.462 159 I N 0.982 120.828 120.570 -1.206 0.000 3.339 159 I HA 0.421 4.591 4.170 -0.000 0.000 0.318 159 I C -1.564 173.880 176.117 -1.121 0.000 1.300 159 I CA -0.938 59.832 61.300 -0.883 0.000 0.906 159 I CB 2.527 40.273 38.000 -0.425 0.000 1.317 159 I HN 0.594 nan 8.210 nan 0.000 0.492 160 E N 0.163 120.035 120.200 -0.545 0.000 2.460 160 E HA 0.784 5.134 4.350 -0.000 0.000 0.277 160 E C -1.560 174.908 176.600 -0.220 0.000 1.010 160 E CA -0.693 55.488 56.400 -0.364 0.000 0.838 160 E CB 2.701 32.292 29.700 -0.182 0.000 1.448 160 E HN 0.774 nan 8.360 nan 0.000 0.462 161 S N -0.600 115.006 115.700 -0.156 0.000 2.653 161 S HA 0.479 4.949 4.470 -0.000 0.000 0.264 161 S C -1.696 172.861 174.600 -0.071 0.000 1.070 161 S CA -0.968 57.174 58.200 -0.096 0.000 0.885 161 S CB 1.095 64.242 63.200 -0.088 0.000 1.157 161 S HN 0.340 nan 8.310 nan 0.000 0.479 162 S N 0.255 115.931 115.700 -0.040 0.000 2.599 162 S HA 0.647 5.117 4.470 -0.000 0.000 0.269 162 S C 0.042 174.637 174.600 -0.009 0.000 1.135 162 S CA -0.203 57.981 58.200 -0.027 0.000 1.027 162 S CB 1.236 64.424 63.200 -0.021 0.000 1.129 162 S HN 1.706 nan 8.310 nan 0.000 0.458 163 A N 2.428 125.246 122.820 -0.002 0.000 2.081 163 A HA 0.067 4.387 4.320 -0.000 0.000 0.213 163 A C 1.163 178.747 177.584 0.000 0.000 1.374 163 A CA 0.723 52.765 52.037 0.009 0.000 1.203 163 A CB -0.317 18.692 19.000 0.015 0.000 0.786 163 A HN 0.491 nan 8.150 nan 0.000 0.535 164 K N -0.386 120.012 120.400 -0.003 0.000 2.469 164 K HA 0.154 4.474 4.320 -0.000 0.000 0.204 164 K C -0.196 176.400 176.600 -0.007 0.000 1.047 164 K CA -0.023 56.260 56.287 -0.006 0.000 1.072 164 K CB 0.488 32.985 32.500 -0.006 0.000 0.863 164 K HN 0.550 nan 8.250 nan 0.000 0.530 165 N N 0.116 118.813 118.700 -0.005 0.000 1.885 165 N HA -0.066 4.673 4.740 -0.000 0.000 0.229 165 N C -0.247 175.262 175.510 -0.002 0.000 1.411 165 N CA 0.093 53.139 53.050 -0.006 0.000 0.790 165 N CB 0.925 39.407 38.487 -0.007 0.000 1.064 165 N HN 0.005 nan 8.380 nan 0.000 0.492 166 D N 1.532 121.936 120.400 0.006 0.000 3.059 166 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 166 D C -0.711 175.602 176.300 0.022 0.000 1.169 166 D CA 1.115 55.127 54.000 0.020 0.000 0.902 166 D CB -0.967 39.837 40.800 0.008 0.000 1.116 166 D HN 0.524 nan 8.370 nan 0.000 0.417 167 D N -0.854 119.551 120.400 0.008 0.000 2.210 167 D HA 0.399 5.039 4.640 -0.000 0.000 0.249 167 D C 1.110 177.409 176.300 -0.002 0.000 1.078 167 D CA 0.048 54.047 54.000 -0.002 0.000 0.875 167 D CB 0.455 41.248 40.800 -0.013 0.000 1.175 167 D HN 0.149 nan 8.370 nan 0.000 0.440 168 N N 1.796 120.492 118.700 -0.006 0.000 2.932 168 N HA -0.251 4.489 4.740 -0.000 0.000 0.227 168 N C 1.318 176.839 175.510 0.019 0.000 0.854 168 N CA 1.067 54.106 53.050 -0.018 0.000 1.064 168 N CB -0.934 37.516 38.487 -0.062 0.000 1.029 168 N HN 0.327 nan 8.380 nan 0.000 0.619 169 V N 1.929 121.883 119.914 0.067 0.000 2.219 169 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 169 V C 2.165 178.443 176.094 0.307 0.000 1.053 169 V CA 2.439 64.836 62.300 0.161 0.000 1.009 169 V CB -0.444 31.492 31.823 0.189 0.000 0.636 169 V HN 0.449 nan 8.190 nan 0.000 0.445 170 N N -0.601 118.313 118.700 0.357 0.000 2.205 170 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 170 N C 1.746 177.584 175.510 0.547 0.000 1.015 170 N CA 1.491 54.894 53.050 0.587 0.000 0.862 170 N CB -0.108 38.663 38.487 0.472 0.000 0.986 170 N HN 0.575 nan 8.380 nan 0.000 0.429 171 E N 1.478 121.807 120.200 0.215 0.000 2.031 171 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 171 E C 2.061 178.707 176.600 0.078 0.000 0.994 171 E CA 0.602 57.075 56.400 0.122 0.000 0.800 171 E CB -0.277 29.424 29.700 0.001 0.000 0.752 171 E HN 0.287 nan 8.360 nan 0.000 0.447 172 I N 0.057 120.590 120.570 -0.062 0.000 2.141 172 I HA -0.385 3.785 4.170 -0.000 0.000 0.243 172 I C 1.956 177.788 176.117 -0.474 0.000 1.035 172 I CA 1.640 62.741 61.300 -0.331 0.000 1.302 172 I CB -0.396 37.280 38.000 -0.540 0.000 1.006 172 I HN 0.105 nan 8.210 nan 0.000 0.413 173 F N -0.647 119.146 119.950 -0.263 0.000 2.179 173 F HA -0.053 4.474 4.527 -0.000 0.000 0.292 173 F C 2.185 177.861 175.800 -0.207 0.000 1.089 173 F CA 0.886 58.649 58.000 -0.394 0.000 1.295 173 F CB -0.808 37.606 39.000 -0.977 0.000 1.041 173 F HN -0.148 nan 8.300 nan 0.000 0.487 174 F N 0.767 120.747 119.950 0.050 0.000 2.250 174 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 174 F C 2.362 178.161 175.800 -0.001 0.000 1.077 174 F CA 1.598 59.627 58.000 0.047 0.000 1.348 174 F CB -1.398 37.638 39.000 0.059 0.000 1.040 174 F HN -0.090 nan 8.300 nan 0.000 0.509 175 T N 0.731 115.357 114.554 0.121 0.000 2.639 175 T HA -0.173 4.177 4.350 -0.000 0.000 0.261 175 T C 2.146 176.845 174.700 -0.001 0.000 1.053 175 T CA 0.934 63.055 62.100 0.035 0.000 1.158 175 T CB -0.674 68.174 68.868 -0.033 0.000 0.863 175 T HN 0.043 nan 8.240 nan 0.000 0.413 176 L N 1.465 122.653 121.223 -0.059 0.000 2.034 176 L HA -0.225 4.115 4.340 -0.000 0.000 0.217 176 L C 2.856 179.710 176.870 -0.025 0.000 1.077 176 L CA 2.445 57.248 54.840 -0.062 0.000 0.769 176 L CB -1.661 40.325 42.059 -0.123 0.000 0.890 176 L HN 0.339 nan 8.230 nan 0.000 0.435 177 A N -0.316 122.489 122.820 -0.024 0.000 1.869 177 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 177 A C 2.320 179.912 177.584 0.013 0.000 1.203 177 A CA 2.324 54.352 52.037 -0.015 0.000 0.638 177 A CB -0.508 18.467 19.000 -0.041 0.000 0.831 177 A HN 0.477 nan 8.150 nan 0.000 0.450 178 K N -0.581 119.840 120.400 0.035 0.000 2.002 178 K HA -0.066 4.253 4.320 -0.000 0.000 0.209 178 K C 1.977 178.594 176.600 0.028 0.000 1.048 178 K CA 1.493 57.804 56.287 0.040 0.000 0.930 178 K CB -0.527 32.005 32.500 0.054 0.000 0.714 178 K HN 0.469 nan 8.250 nan 0.000 0.438 179 L N 1.042 122.279 121.223 0.023 0.000 2.051 179 L HA -0.265 4.075 4.340 -0.000 0.000 0.214 179 L C 2.441 179.324 176.870 0.022 0.000 1.076 179 L CA 1.377 56.230 54.840 0.022 0.000 0.758 179 L CB -0.555 41.514 42.059 0.017 0.000 0.890 179 L HN 0.222 nan 8.230 nan 0.000 0.433 180 I N -1.016 119.565 120.570 0.018 0.000 2.163 180 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 180 I C 2.701 178.831 176.117 0.021 0.000 1.081 180 I CA 1.028 62.340 61.300 0.020 0.000 1.353 180 I CB -0.293 37.715 38.000 0.014 0.000 1.054 180 I HN 0.287 nan 8.210 nan 0.000 0.407 181 Q N 1.814 121.626 119.800 0.020 0.000 2.077 181 Q HA -0.278 4.062 4.340 -0.000 0.000 0.206 181 Q C 1.896 177.910 176.000 0.023 0.000 0.989 181 Q CA 2.541 58.356 55.803 0.021 0.000 0.853 181 Q CB -0.331 28.421 28.738 0.023 0.000 0.907 181 Q HN 0.696 nan 8.270 nan 0.000 0.418 182 E N -0.371 119.843 120.200 0.024 0.000 2.072 182 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 182 E C 1.802 178.416 176.600 0.024 0.000 0.985 182 E CA 1.174 57.588 56.400 0.024 0.000 0.801 182 E CB -0.468 29.247 29.700 0.025 0.000 0.750 182 E HN 0.292 nan 8.360 nan 0.000 0.452 183 K N 0.637 121.052 120.400 0.025 0.000 2.585 183 K HA -0.041 4.279 4.320 -0.000 0.000 0.194 183 K C 1.435 178.050 176.600 0.025 0.000 1.037 183 K CA 0.655 56.958 56.287 0.026 0.000 0.964 183 K CB 0.034 32.551 32.500 0.029 0.000 0.787 183 K HN 0.312 nan 8.250 nan 0.000 0.488 184 I N -0.128 120.456 120.570 0.024 0.000 4.035 184 I HA -0.065 4.105 4.170 -0.000 0.000 0.321 184 I C 0.831 176.961 176.117 0.021 0.000 1.289 184 I CA 0.087 61.401 61.300 0.023 0.000 1.236 184 I CB 0.270 38.283 38.000 0.022 0.000 1.076 184 I HN 0.033 nan 8.210 nan 0.000 0.418 185 D N 0.579 120.991 120.400 0.020 0.000 2.327 185 D HA -0.043 4.597 4.640 -0.000 0.000 0.205 185 D C 2.170 178.481 176.300 0.018 0.000 0.989 185 D CA 1.009 55.021 54.000 0.019 0.000 0.873 185 D CB 0.170 40.981 40.800 0.019 0.000 0.955 185 D HN 0.265 nan 8.370 nan 0.000 0.515 186 S N 0.308 116.019 115.700 0.019 0.000 2.547 186 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 186 S C 0.939 175.549 174.600 0.017 0.000 0.980 186 S CA 0.162 58.373 58.200 0.018 0.000 0.941 186 S CB 0.055 63.267 63.200 0.020 0.000 0.763 186 S HN 0.071 nan 8.310 nan 0.000 0.532 187 N N 0.000 118.711 118.700 0.018 0.000 1.763 187 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 187 N CA 0.000 53.060 53.050 0.017 0.000 0.885 187 N CB 0.000 38.498 38.487 0.019 0.000 1.341 187 N HN 0.000 nan 8.380 nan 0.000 0.667