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 3exu_1_B DATA FIRST_RESID 1 DATA SEQUENCE ASTDYWQNWT FGGGIVNAVN GSGGNYSVNW SNTGNFVVGK GWTTGSPFRT DATA SEQUENCE INYNAGVWAP NGNGYLTLYG WTRSPLIEYY VVDSWGTYRP TGTYKGTVKS DATA SEQUENCE DGGTYDIYTT TXXXXXXXXX XXXTFTQYWS VRQSKRPTGS NATITFSNHV DATA SEQUENCE NAWKSHGMNL GSNWAYQVMA TEGYQSSGSS NVTVW 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.827 177.584 0.405 0.000 1.274 1 A CA 0.000 52.282 52.037 0.408 0.000 0.836 1 A CB 0.000 19.273 19.000 0.455 0.000 0.831 2 S N 2.319 118.199 115.700 0.300 0.000 2.465 2 S HA 0.436 4.928 4.470 0.038 0.000 0.280 2 S C 0.863 175.559 174.600 0.160 0.000 1.232 2 S CA 0.512 58.830 58.200 0.196 0.000 1.066 2 S CB 0.012 63.296 63.200 0.139 0.000 0.929 2 S HN 1.214 nan 8.310 nan 0.000 0.494 3 T N 0.285 114.784 114.554 -0.091 0.000 2.926 3 T HA 0.193 4.566 4.350 0.038 0.000 0.307 3 T C 0.304 174.874 174.700 -0.216 0.000 1.059 3 T CA -0.539 61.224 62.100 -0.561 0.000 1.122 3 T CB 0.587 69.097 68.868 -0.597 0.000 0.972 3 T HN 0.630 nan 8.240 nan 0.000 0.545 4 D N -0.630 119.662 120.400 -0.181 0.000 2.540 4 D HA 0.115 4.778 4.640 0.038 0.000 0.229 4 D C -0.481 175.894 176.300 0.126 0.000 1.250 4 D CA -0.414 53.602 54.000 0.026 0.000 0.817 4 D CB -0.214 40.648 40.800 0.102 0.000 1.060 4 D HN 0.605 nan 8.370 nan 0.000 0.508 5 Y N 0.619 120.870 120.300 -0.082 0.000 2.470 5 Y HA 0.470 5.046 4.550 0.043 0.000 0.341 5 Y C -2.106 173.798 175.900 0.007 0.000 1.021 5 Y CA -1.597 56.486 58.100 -0.029 0.000 1.025 5 Y CB 1.645 40.084 38.460 -0.035 0.000 1.266 5 Y HN 0.089 nan 8.280 nan 0.000 0.448 6 W N 9.053 129.897 121.300 -0.760 0.000 2.739 6 W HA 0.549 5.243 4.660 0.057 0.000 0.331 6 W C -2.044 173.844 176.519 -1.052 0.000 1.049 6 W CA -0.702 56.193 57.345 -0.750 0.000 1.234 6 W CB 2.152 31.374 29.460 -0.397 0.000 1.404 6 W HN 0.780 nan 8.180 nan 0.000 0.477 7 Q N 5.271 123.999 119.800 -1.788 0.000 2.356 7 Q HA 0.303 4.665 4.340 0.038 0.000 0.270 7 Q C -1.926 173.092 176.000 -1.637 0.000 1.058 7 Q CA -0.580 54.312 55.803 -1.518 0.000 0.802 7 Q CB 2.199 30.183 28.738 -1.257 0.000 1.303 7 Q HN 0.497 nan 8.270 nan 0.000 0.444 8 N N 4.292 122.385 118.700 -1.012 0.000 2.448 8 N HA 0.342 5.104 4.740 0.038 0.000 0.279 8 N C -2.050 173.338 175.510 -0.204 0.000 1.025 8 N CA -0.263 52.424 53.050 -0.605 0.000 0.898 8 N CB 0.879 39.169 38.487 -0.328 0.000 1.303 8 N HN 0.524 nan 8.380 nan 0.000 0.495 9 W N 2.520 123.610 121.300 -0.351 0.000 2.417 9 W HA 0.446 5.135 4.660 0.049 0.000 0.315 9 W C -0.353 175.872 176.519 -0.490 0.000 1.045 9 W CA -0.648 56.425 57.345 -0.453 0.000 1.221 9 W CB 0.902 30.130 29.460 -0.387 0.000 1.309 9 W HN 0.224 nan 8.180 nan 0.000 0.453 10 T N 4.509 118.847 114.554 -0.360 0.000 2.809 10 T HA 0.568 4.941 4.350 0.038 0.000 0.284 10 T C -0.981 173.498 174.700 -0.368 0.000 0.992 10 T CA -0.359 61.608 62.100 -0.221 0.000 0.957 10 T CB 0.559 69.376 68.868 -0.085 0.000 0.942 10 T HN -0.044 nan 8.240 nan 0.000 0.439 11 F N 1.874 121.897 119.950 0.123 0.000 2.458 11 F HA 0.685 5.235 4.527 0.038 0.000 0.336 11 F C 1.200 177.041 175.800 0.068 0.000 1.114 11 F CA -0.295 57.751 58.000 0.076 0.000 0.987 11 F CB 1.462 40.508 39.000 0.076 0.000 1.130 11 F HN 0.933 nan 8.300 nan 0.000 0.458 12 G N 1.293 110.213 108.800 0.200 0.000 2.642 12 G HA2 0.175 4.158 3.960 0.038 0.000 0.231 12 G HA3 0.175 4.158 3.960 0.038 0.000 0.231 12 G C 0.081 175.029 174.900 0.081 0.000 1.338 12 G CA -0.530 44.642 45.100 0.120 0.000 0.883 12 G HN 1.163 nan 8.290 nan 0.000 0.570 13 G N -1.868 106.969 108.800 0.062 0.000 2.736 13 G HA2 0.915 4.897 3.960 0.038 0.000 0.229 13 G HA3 0.915 4.897 3.960 0.038 0.000 0.229 13 G C 1.131 176.063 174.900 0.054 0.000 1.380 13 G CA 1.108 46.235 45.100 0.046 0.000 1.040 13 G HN 2.745 nan 8.290 nan 0.000 0.568 14 G N -1.501 107.325 108.800 0.043 0.000 2.681 14 G HA2 -0.082 3.900 3.960 0.038 0.000 0.220 14 G HA3 -0.082 3.900 3.960 0.038 0.000 0.220 14 G C -0.460 174.469 174.900 0.048 0.000 1.353 14 G CA -0.108 45.023 45.100 0.051 0.000 0.872 14 G HN 0.902 nan 8.290 nan 0.000 0.557 15 I N 0.054 120.660 120.570 0.060 0.000 2.336 15 I HA 0.511 4.703 4.170 0.038 0.000 0.292 15 I C 0.066 176.216 176.117 0.055 0.000 0.991 15 I CA -0.814 60.512 61.300 0.044 0.000 1.227 15 I CB 1.814 39.835 38.000 0.035 0.000 1.366 15 I HN 0.366 nan 8.210 nan 0.000 0.466 16 V N 6.200 126.106 119.914 -0.014 0.000 2.385 16 V HA 0.208 4.351 4.120 0.038 0.000 0.277 16 V C -0.100 175.941 176.094 -0.088 0.000 1.012 16 V CA -0.674 61.548 62.300 -0.129 0.000 0.832 16 V CB 1.260 32.881 31.823 -0.337 0.000 1.028 16 V HN 0.762 nan 8.190 nan 0.000 0.436 17 N N 3.821 122.508 118.700 -0.023 0.000 2.602 17 N HA 0.482 5.245 4.740 0.038 0.000 0.238 17 N C -0.144 175.396 175.510 0.050 0.000 1.084 17 N CA -0.136 52.923 53.050 0.015 0.000 0.952 17 N CB 1.136 39.640 38.487 0.028 0.000 1.244 17 N HN 0.752 nan 8.380 nan 0.000 0.512 18 A N 3.307 126.167 122.820 0.066 0.000 2.292 18 A HA 0.502 4.844 4.320 0.038 0.000 0.319 18 A C -0.368 177.311 177.584 0.159 0.000 1.206 18 A CA -0.510 51.639 52.037 0.188 0.000 0.835 18 A CB 1.201 20.365 19.000 0.273 0.000 1.164 18 A HN 0.393 nan 8.150 nan 0.000 0.505 19 V N 3.381 123.360 119.914 0.107 0.000 2.378 19 V HA 0.221 4.364 4.120 0.038 0.000 0.288 19 V C -0.072 175.812 176.094 -0.351 0.000 1.016 19 V CA -0.850 61.404 62.300 -0.076 0.000 0.840 19 V CB 1.494 33.298 31.823 -0.032 0.000 0.994 19 V HN 0.897 nan 8.190 nan 0.000 0.431 20 N N 4.297 122.585 118.700 -0.685 0.000 2.508 20 N HA 0.275 5.038 4.740 0.038 0.000 0.253 20 N C 0.384 175.584 175.510 -0.516 0.000 1.145 20 N CA 0.217 52.603 53.050 -1.108 0.000 0.973 20 N CB 1.063 38.684 38.487 -1.444 0.000 1.305 20 N HN 0.810 nan 8.380 nan 0.000 0.506 21 G N 1.332 109.931 108.800 -0.334 0.000 2.563 21 G HA2 0.185 4.168 3.960 0.038 0.000 0.283 21 G HA3 0.185 4.168 3.960 0.038 0.000 0.283 21 G C -0.211 174.603 174.900 -0.143 0.000 1.309 21 G CA -0.483 44.514 45.100 -0.172 0.000 1.022 21 G HN 0.503 nan 8.290 nan 0.000 0.501 22 S N -0.755 114.891 115.700 -0.089 0.000 2.579 22 S HA 0.454 4.947 4.470 0.038 0.000 0.275 22 S C 1.345 175.918 174.600 -0.044 0.000 1.345 22 S CA 0.643 58.803 58.200 -0.067 0.000 1.031 22 S CB 0.520 63.690 63.200 -0.050 0.000 0.892 22 S HN 1.693 nan 8.310 nan 0.000 0.529 23 G N 2.647 111.428 108.800 -0.032 0.000 2.672 23 G HA2 -0.292 3.691 3.960 0.038 0.000 0.324 23 G HA3 -0.292 3.691 3.960 0.038 0.000 0.324 23 G C 0.862 175.770 174.900 0.014 0.000 1.286 23 G CA 0.262 45.359 45.100 -0.006 0.000 1.004 23 G HN 1.294 nan 8.290 nan 0.000 0.548 24 G N 0.657 109.495 108.800 0.063 0.000 3.233 24 G HA2 0.296 4.279 3.960 0.038 0.000 0.227 24 G HA3 0.296 4.279 3.960 0.038 0.000 0.227 24 G C 0.543 175.546 174.900 0.172 0.000 1.175 24 G CA 0.803 45.979 45.100 0.127 0.000 0.781 24 G HN 0.770 nan 8.290 nan 0.000 0.542 25 N N 0.199 118.959 118.700 0.099 0.000 2.518 25 N HA 0.399 5.161 4.740 0.038 0.000 0.283 25 N C -1.042 174.535 175.510 0.112 0.000 1.119 25 N CA -0.366 52.732 53.050 0.080 0.000 0.983 25 N CB 1.121 39.621 38.487 0.021 0.000 1.139 25 N HN 0.235 nan 8.380 nan 0.000 0.465 26 Y N -0.293 120.034 120.300 0.045 0.000 2.655 26 Y HA 0.596 5.170 4.550 0.040 0.000 0.336 26 Y C -1.175 174.786 175.900 0.102 0.000 1.154 26 Y CA -1.095 57.011 58.100 0.009 0.000 1.055 26 Y CB 0.838 39.365 38.460 0.113 0.000 1.295 26 Y HN 0.422 nan 8.280 nan 0.000 0.465 27 S N 0.698 116.570 115.700 0.287 0.000 2.564 27 S HA 0.896 5.389 4.470 0.038 0.000 0.274 27 S C -1.950 172.875 174.600 0.375 0.000 1.124 27 S CA -0.670 57.674 58.200 0.240 0.000 0.869 27 S CB 1.687 64.958 63.200 0.119 0.000 1.105 27 S HN 1.073 nan 8.310 nan 0.000 0.472 28 V N 2.854 122.995 119.914 0.379 0.000 2.733 28 V HA 0.602 4.745 4.120 0.038 0.000 0.306 28 V C -1.084 175.239 176.094 0.381 0.000 1.084 28 V CA -0.845 61.674 62.300 0.365 0.000 0.905 28 V CB 1.769 33.844 31.823 0.421 0.000 1.010 28 V HN 1.062 nan 8.190 nan 0.000 0.424 29 N N 2.983 121.834 118.700 0.251 0.000 2.269 29 N HA 0.656 5.419 4.740 0.038 0.000 0.304 29 N C -1.327 174.318 175.510 0.225 0.000 1.072 29 N CA -0.625 52.532 53.050 0.178 0.000 0.802 29 N CB 3.201 41.699 38.487 0.018 0.000 1.348 29 N HN 0.835 nan 8.380 nan 0.000 0.484 30 W N 0.127 121.407 121.300 -0.033 0.000 3.031 30 W HA 0.684 5.361 4.660 0.028 0.000 0.337 30 W C -1.360 175.162 176.519 0.006 0.000 1.187 30 W CA -1.069 56.246 57.345 -0.049 0.000 1.166 30 W CB 1.426 30.843 29.460 -0.071 0.000 1.437 30 W HN 0.426 nan 8.180 nan 0.000 0.551 31 S N 2.967 118.777 115.700 0.183 0.000 2.397 31 S HA 0.284 4.777 4.470 0.038 0.000 0.190 31 S C -1.359 173.335 174.600 0.158 0.000 1.100 31 S CA -0.725 57.540 58.200 0.108 0.000 1.150 31 S CB -0.859 62.342 63.200 0.002 0.000 1.302 31 S HN 0.632 nan 8.310 nan 0.000 0.417 32 N N 1.712 120.556 118.700 0.240 0.000 2.453 32 N HA 0.688 5.451 4.740 0.038 0.000 0.290 32 N C 0.744 176.310 175.510 0.093 0.000 1.250 32 N CA 0.261 53.406 53.050 0.158 0.000 0.815 32 N CB 0.702 39.308 38.487 0.199 0.000 1.381 32 N HN 0.640 nan 8.380 nan 0.000 0.510 33 T N -3.423 111.140 114.554 0.015 0.000 13.744 33 T HA -0.207 4.166 4.350 0.038 0.000 0.419 33 T C 0.768 175.438 174.700 -0.050 0.000 1.443 33 T CA 1.726 63.820 62.100 -0.010 0.000 2.349 33 T CB -2.028 66.849 68.868 0.015 0.000 2.778 33 T HN 1.202 nan 8.240 nan 0.000 0.457 34 G N 2.989 111.800 108.800 0.018 0.000 3.310 34 G HA2 0.644 4.627 3.960 0.038 0.000 0.176 34 G HA3 0.644 4.627 3.960 0.038 0.000 0.176 34 G C -0.484 174.455 174.900 0.065 0.000 1.307 34 G CA 0.218 45.343 45.100 0.041 0.000 0.935 34 G HN 1.080 nan 8.290 nan 0.000 0.628 35 N N -1.211 117.639 118.700 0.251 0.000 2.242 35 N HA 0.568 5.331 4.740 0.038 0.000 0.292 35 N C -1.814 173.973 175.510 0.462 0.000 1.125 35 N CA -0.614 52.615 53.050 0.299 0.000 0.783 35 N CB 2.531 41.205 38.487 0.312 0.000 1.558 35 N HN 0.410 nan 8.380 nan 0.000 0.472 36 F N -0.128 119.925 119.950 0.172 0.000 2.613 36 F HA 0.735 5.282 4.527 0.033 0.000 0.310 36 F C -1.864 173.949 175.800 0.021 0.000 1.085 36 F CA -0.791 57.274 58.000 0.108 0.000 0.945 36 F CB 1.156 40.114 39.000 -0.069 0.000 1.298 36 F HN 0.012 nan 8.300 nan 0.000 0.455 37 V N 3.106 123.104 119.914 0.140 0.000 2.482 37 V HA 0.660 4.803 4.120 0.038 0.000 0.295 37 V C -1.031 174.875 176.094 -0.312 0.000 1.026 37 V CA -0.681 61.504 62.300 -0.192 0.000 0.856 37 V CB 1.414 32.978 31.823 -0.432 0.000 1.001 37 V HN 0.829 nan 8.190 nan 0.000 0.424 38 V N 3.363 123.121 119.914 -0.261 0.000 2.709 38 V HA 1.030 5.173 4.120 0.038 0.000 0.308 38 V C 0.356 176.045 176.094 -0.676 0.000 1.062 38 V CA 0.091 62.070 62.300 -0.534 0.000 0.901 38 V CB 1.963 33.643 31.823 -0.239 0.000 1.003 38 V HN 1.098 nan 8.190 nan 0.000 0.425 39 G N 3.261 111.422 108.800 -1.065 0.000 2.547 39 G HA2 0.539 4.522 3.960 0.038 0.000 0.291 39 G HA3 0.539 4.522 3.960 0.038 0.000 0.291 39 G C -1.979 172.531 174.900 -0.650 0.000 1.471 39 G CA -0.741 43.840 45.100 -0.865 0.000 0.798 39 G HN 0.580 nan 8.290 nan 0.000 0.504 40 K N -0.472 119.785 120.400 -0.239 0.000 2.207 40 K HA 0.795 5.138 4.320 0.038 0.000 0.255 40 K C 0.354 176.881 176.600 -0.123 0.000 0.941 40 K CA 0.202 56.472 56.287 -0.029 0.000 0.825 40 K CB 2.018 34.639 32.500 0.203 0.000 1.119 40 K HN 1.086 nan 8.250 nan 0.000 0.430 41 G N 1.901 110.555 108.800 -0.242 0.000 2.565 41 G HA2 0.223 4.206 3.960 0.038 0.000 0.142 41 G HA3 0.223 4.206 3.960 0.038 0.000 0.142 41 G C -1.840 172.759 174.900 -0.501 0.000 1.181 41 G CA -0.695 44.129 45.100 -0.460 0.000 1.066 41 G HN 0.488 nan 8.290 nan 0.000 0.530 42 W N 0.502 121.930 121.300 0.213 0.000 2.819 42 W HA 0.463 5.161 4.660 0.063 0.000 0.337 42 W C 0.631 177.180 176.519 0.051 0.000 1.077 42 W CA -0.294 57.134 57.345 0.138 0.000 1.226 42 W CB 1.890 31.396 29.460 0.077 0.000 1.419 42 W HN 0.514 nan 8.180 nan 0.000 0.502 43 T N 0.589 115.243 114.554 0.168 0.000 2.821 43 T HA -0.121 4.251 4.350 0.038 0.000 0.267 43 T C 0.834 175.519 174.700 -0.025 0.000 1.046 43 T CA 1.509 63.564 62.100 -0.075 0.000 1.139 43 T CB 0.035 68.881 68.868 -0.036 0.000 0.871 43 T HN 0.299 nan 8.240 nan 0.000 0.454 44 T N 1.584 116.178 114.554 0.066 0.000 2.788 44 T HA 0.579 4.952 4.350 0.038 0.000 0.296 44 T C 0.281 175.013 174.700 0.053 0.000 1.009 44 T CA -0.698 61.421 62.100 0.033 0.000 0.949 44 T CB 0.636 69.514 68.868 0.016 0.000 0.946 44 T HN 0.244 nan 8.240 nan 0.000 0.453 45 G N 2.718 111.570 108.800 0.086 0.000 2.569 45 G HA2 0.476 4.459 3.960 0.038 0.000 0.249 45 G HA3 0.476 4.459 3.960 0.038 0.000 0.249 45 G C -0.489 174.261 174.900 -0.250 0.000 1.216 45 G CA -0.425 44.736 45.100 0.102 0.000 0.845 45 G HN 0.818 nan 8.290 nan 0.000 0.568 46 S N 0.469 115.854 115.700 -0.524 0.000 2.540 46 S HA 0.630 5.123 4.470 0.038 0.000 0.275 46 S C -2.014 172.008 174.600 -0.964 0.000 1.123 46 S CA -1.323 56.317 58.200 -0.934 0.000 0.907 46 S CB 2.549 65.468 63.200 -0.468 0.000 1.081 46 S HN 0.324 nan 8.310 nan 0.000 0.476 47 P HA 0.152 nan 4.420 nan 0.000 0.242 47 P C 0.261 177.087 177.300 -0.790 0.000 1.197 47 P CA 0.444 62.960 63.100 -0.974 0.000 0.765 47 P CB -0.195 30.858 31.700 -1.078 0.000 0.936 48 F N -0.684 119.088 119.950 -0.296 0.000 2.678 48 F HA 0.315 4.864 4.527 0.036 0.000 0.305 48 F C 1.462 177.156 175.800 -0.176 0.000 1.090 48 F CA -0.917 56.950 58.000 -0.221 0.000 1.272 48 F CB -0.354 38.513 39.000 -0.223 0.000 1.060 48 F HN -0.239 nan 8.300 nan 0.000 0.576 49 R N 0.906 121.372 120.500 -0.056 0.000 2.537 49 R HA 0.248 4.610 4.340 0.038 0.000 0.280 49 R C -0.526 175.722 176.300 -0.086 0.000 1.058 49 R CA 0.332 56.335 56.100 -0.162 0.000 1.057 49 R CB 0.449 30.532 30.300 -0.363 0.000 0.973 49 R HN -0.050 nan 8.270 nan 0.000 0.438 50 T N 5.947 120.427 114.554 -0.123 0.000 2.756 50 T HA 0.344 4.717 4.350 0.038 0.000 0.290 50 T C -0.299 174.326 174.700 -0.124 0.000 0.985 50 T CA -0.464 61.591 62.100 -0.074 0.000 0.955 50 T CB 0.566 69.406 68.868 -0.047 0.000 0.930 50 T HN 0.364 nan 8.240 nan 0.000 0.451 51 I N 4.586 125.116 120.570 -0.067 0.000 2.315 51 I HA 0.250 4.443 4.170 0.038 0.000 0.291 51 I C 0.478 176.567 176.117 -0.047 0.000 1.006 51 I CA -0.381 60.918 61.300 -0.003 0.000 1.265 51 I CB 0.692 38.755 38.000 0.104 0.000 1.387 51 I HN 0.479 nan 8.210 nan 0.000 0.475 52 N N 6.945 125.493 118.700 -0.254 0.000 2.430 52 N HA 0.490 5.253 4.740 0.038 0.000 0.292 52 N C -1.045 174.008 175.510 -0.762 0.000 1.051 52 N CA -0.431 52.182 53.050 -0.727 0.000 0.917 52 N CB 2.053 39.635 38.487 -1.509 0.000 1.164 52 N HN 0.588 nan 8.380 nan 0.000 0.484 53 Y N -0.870 119.007 120.300 -0.704 0.000 2.638 53 Y HA 0.526 5.087 4.550 0.018 0.000 0.335 53 Y C -1.604 174.259 175.900 -0.062 0.000 1.155 53 Y CA -1.210 56.688 58.100 -0.337 0.000 1.046 53 Y CB 1.584 40.004 38.460 -0.067 0.000 1.303 53 Y HN 0.302 nan 8.280 nan 0.000 0.460 54 N N 1.605 120.490 118.700 0.308 0.000 2.533 54 N HA 0.462 5.224 4.740 0.038 0.000 0.289 54 N C -1.738 173.954 175.510 0.304 0.000 1.103 54 N CA -0.164 53.028 53.050 0.238 0.000 0.877 54 N CB 2.013 40.705 38.487 0.341 0.000 1.419 54 N HN 1.096 nan 8.380 nan 0.000 0.517 55 A N 2.432 125.440 122.820 0.313 0.000 2.671 55 A HA 0.445 4.788 4.320 0.038 0.000 0.306 55 A C 1.417 179.126 177.584 0.208 0.000 1.473 55 A CA 0.066 52.265 52.037 0.271 0.000 1.155 55 A CB -0.590 18.588 19.000 0.296 0.000 1.123 55 A HN 0.749 nan 8.150 nan 0.000 0.545 56 G N 1.293 110.190 108.800 0.161 0.000 2.422 56 G HA2 0.101 4.084 3.960 0.038 0.000 0.218 56 G HA3 0.101 4.084 3.960 0.038 0.000 0.218 56 G C 0.508 175.491 174.900 0.138 0.000 1.146 56 G CA 1.295 46.470 45.100 0.126 0.000 0.769 56 G HN 0.653 nan 8.290 nan 0.000 0.547 57 V N -0.411 119.607 119.914 0.174 0.000 2.577 57 V HA 0.498 4.641 4.120 0.038 0.000 0.303 57 V C -1.324 174.986 176.094 0.359 0.000 1.042 57 V CA -1.002 61.416 62.300 0.197 0.000 0.872 57 V CB 2.243 34.146 31.823 0.133 0.000 0.998 57 V HN 0.356 nan 8.190 nan 0.000 0.423 58 W N 5.808 127.169 121.300 0.102 0.000 2.517 58 W HA 0.699 5.376 4.660 0.029 0.000 0.301 58 W C -0.707 175.875 176.519 0.104 0.000 1.002 58 W CA -0.704 56.722 57.345 0.135 0.000 1.415 58 W CB 1.712 31.256 29.460 0.140 0.000 1.275 58 W HN 0.644 nan 8.180 nan 0.000 0.413 59 A N 7.720 130.284 122.820 -0.427 0.000 3.355 59 A HA 0.353 4.696 4.320 0.038 0.000 0.290 59 A C -2.733 174.522 177.584 -0.549 0.000 0.973 59 A CA -1.030 50.754 52.037 -0.421 0.000 0.933 59 A CB 0.320 19.194 19.000 -0.210 0.000 1.138 59 A HN 0.262 nan 8.150 nan 0.000 0.490 60 P HA 0.178 nan 4.420 nan 0.000 0.276 60 P C -0.126 177.022 177.300 -0.253 0.000 1.230 60 P CA -0.099 62.747 63.100 -0.422 0.000 0.776 60 P CB 1.135 32.660 31.700 -0.293 0.000 0.888 61 N N 1.013 119.586 118.700 -0.211 0.000 2.424 61 N HA 0.063 4.826 4.740 0.038 0.000 0.178 61 N C 1.210 176.713 175.510 -0.013 0.000 1.060 61 N CA 0.736 53.713 53.050 -0.122 0.000 0.901 61 N CB 0.312 38.706 38.487 -0.156 0.000 0.979 61 N HN 0.589 nan 8.380 nan 0.000 0.451 62 G N -0.132 108.706 108.800 0.063 0.000 3.265 62 G HA2 0.055 4.038 3.960 0.038 0.000 0.171 62 G HA3 0.055 4.038 3.960 0.038 0.000 0.171 62 G C -0.849 174.182 174.900 0.219 0.000 1.110 62 G CA -0.286 44.894 45.100 0.134 0.000 0.855 62 G HN 0.041 nan 8.290 nan 0.000 0.658 63 N N 1.263 120.104 118.700 0.235 0.000 2.399 63 N HA 0.502 5.265 4.740 0.038 0.000 0.259 63 N C -0.157 175.461 175.510 0.180 0.000 1.160 63 N CA 0.416 53.608 53.050 0.237 0.000 0.946 63 N CB 0.364 38.976 38.487 0.209 0.000 1.156 63 N HN 0.787 nan 8.380 nan 0.000 0.489 64 G N 2.191 111.124 108.800 0.222 0.000 2.733 64 G HA2 0.526 4.508 3.960 0.038 0.000 0.297 64 G HA3 0.526 4.508 3.960 0.038 0.000 0.297 64 G C -1.967 173.231 174.900 0.497 0.000 1.422 64 G CA -0.412 44.813 45.100 0.207 0.000 0.942 64 G HN 0.307 nan 8.290 nan 0.000 0.510 65 Y N 0.100 120.718 120.300 0.531 0.000 2.409 65 Y HA 0.630 5.201 4.550 0.035 0.000 0.343 65 Y C -0.263 175.783 175.900 0.244 0.000 0.973 65 Y CA -1.729 56.655 58.100 0.473 0.000 1.064 65 Y CB 2.286 40.955 38.460 0.347 0.000 1.207 65 Y HN 0.468 nan 8.280 nan 0.000 0.452 66 L N 3.036 124.264 121.223 0.007 0.000 2.276 66 L HA 0.747 5.109 4.340 0.038 0.000 0.286 66 L C -0.359 176.464 176.870 -0.077 0.000 1.024 66 L CA 0.201 54.808 54.840 -0.389 0.000 0.826 66 L CB 0.817 42.178 42.059 -1.163 0.000 1.211 66 L HN 0.732 nan 8.230 nan 0.000 0.422 67 T N 4.602 119.159 114.554 0.004 0.000 3.012 67 T HA 0.375 4.747 4.350 0.038 0.000 0.330 67 T C -1.255 173.480 174.700 0.058 0.000 1.321 67 T CA -0.591 61.580 62.100 0.119 0.000 1.067 67 T CB 0.838 69.914 68.868 0.347 0.000 1.235 67 T HN 0.568 nan 8.240 nan 0.000 0.479 68 L N 5.026 126.276 121.223 0.045 0.000 2.490 68 L HA 0.574 4.937 4.340 0.038 0.000 0.274 68 L C -1.141 175.747 176.870 0.029 0.000 1.201 68 L CA 0.343 55.195 54.840 0.021 0.000 0.869 68 L CB 0.097 42.135 42.059 -0.036 0.000 1.123 68 L HN 0.732 nan 8.230 nan 0.000 0.484 69 Y N 4.232 124.404 120.300 -0.214 0.000 2.470 69 Y HA 0.741 5.312 4.550 0.035 0.000 0.341 69 Y C -0.261 175.340 175.900 -0.499 0.000 1.021 69 Y CA -0.066 57.746 58.100 -0.480 0.000 1.025 69 Y CB 1.788 39.988 38.460 -0.435 0.000 1.266 69 Y HN 0.788 nan 8.280 nan 0.000 0.448 70 G N 3.279 110.971 108.800 -1.847 0.000 2.488 70 G HA2 0.516 4.499 3.960 0.038 0.000 0.301 70 G HA3 0.516 4.499 3.960 0.038 0.000 0.301 70 G C -2.222 171.743 174.900 -1.557 0.000 1.339 70 G CA -0.469 43.699 45.100 -1.554 0.000 0.803 70 G HN 0.913 nan 8.290 nan 0.000 0.482 71 W N -0.396 120.252 121.300 -1.086 0.000 3.042 71 W HA 0.763 5.444 4.660 0.035 0.000 0.342 71 W C -0.649 175.600 176.519 -0.450 0.000 1.240 71 W CA -0.569 56.359 57.345 -0.695 0.000 1.166 71 W CB 0.676 29.735 29.460 -0.668 0.000 1.469 71 W HN 1.085 nan 8.180 nan 0.000 0.579 72 T N -0.579 113.796 114.554 -0.298 0.000 2.930 72 T HA 0.760 5.132 4.350 0.038 0.000 0.290 72 T C -0.450 174.133 174.700 -0.194 0.000 1.052 72 T CA -0.921 60.868 62.100 -0.518 0.000 1.017 72 T CB 2.886 71.315 68.868 -0.732 0.000 1.137 72 T HN 0.523 nan 8.240 nan 0.000 0.511 73 R N 0.064 120.431 120.500 -0.223 0.000 2.856 73 R HA 0.660 5.022 4.340 0.038 0.000 0.258 73 R C -0.379 175.854 176.300 -0.112 0.000 1.066 73 R CA -0.928 55.129 56.100 -0.073 0.000 1.045 73 R CB 1.483 31.778 30.300 -0.007 0.000 1.178 73 R HN 0.913 nan 8.270 nan 0.000 0.499 74 S N 0.608 116.268 115.700 -0.067 0.000 3.527 74 S HA -0.085 4.407 4.470 0.038 0.000 0.409 74 S C -2.398 172.163 174.600 -0.065 0.000 0.900 74 S CA -0.083 58.085 58.200 -0.054 0.000 1.320 74 S CB -1.445 61.732 63.200 -0.038 0.000 0.915 74 S HN 0.464 nan 8.310 nan 0.000 0.575 75 P HA 0.482 nan 4.420 nan 0.000 0.278 75 P C -0.038 177.201 177.300 -0.102 0.000 1.266 75 P CA -1.003 62.059 63.100 -0.064 0.000 0.807 75 P CB 0.536 32.212 31.700 -0.039 0.000 1.094 76 L N 1.800 122.958 121.223 -0.108 0.000 2.456 76 L HA 0.296 4.659 4.340 0.038 0.000 0.277 76 L C -0.754 175.993 176.870 -0.205 0.000 1.124 76 L CA 0.624 55.363 54.840 -0.168 0.000 0.880 76 L CB -1.188 40.700 42.059 -0.284 0.000 1.192 76 L HN 0.177 nan 8.230 nan 0.000 0.463 77 I N 4.562 125.013 120.570 -0.198 0.000 2.569 77 I HA 0.334 4.527 4.170 0.038 0.000 0.290 77 I C -0.357 175.652 176.117 -0.179 0.000 1.088 77 I CA -0.537 60.625 61.300 -0.230 0.000 1.047 77 I CB 1.984 39.719 38.000 -0.443 0.000 1.237 77 I HN 0.524 nan 8.210 nan 0.000 0.421 78 E N 5.042 125.170 120.200 -0.121 0.000 2.277 78 E HA 0.464 4.837 4.350 0.038 0.000 0.274 78 E C -1.669 174.788 176.600 -0.239 0.000 1.022 78 E CA -0.556 55.721 56.400 -0.205 0.000 0.853 78 E CB 1.898 31.611 29.700 0.023 0.000 1.086 78 E HN 0.458 nan 8.360 nan 0.000 0.397 79 Y N -0.164 119.906 120.300 -0.384 0.000 2.562 79 Y HA 0.608 5.180 4.550 0.037 0.000 0.345 79 Y C -1.682 174.017 175.900 -0.334 0.000 1.045 79 Y CA -1.243 56.700 58.100 -0.261 0.000 1.028 79 Y CB 0.912 39.412 38.460 0.067 0.000 1.297 79 Y HN 0.341 nan 8.280 nan 0.000 0.463 80 Y N 0.784 121.077 120.300 -0.011 0.000 2.492 80 Y HA 0.669 5.242 4.550 0.038 0.000 0.346 80 Y C -1.117 174.973 175.900 0.316 0.000 0.997 80 Y CA -1.454 56.654 58.100 0.013 0.000 1.025 80 Y CB 2.688 40.904 38.460 -0.406 0.000 1.263 80 Y HN 0.595 nan 8.280 nan 0.000 0.454 81 V N 4.044 124.187 119.914 0.382 0.000 2.325 81 V HA 0.337 4.480 4.120 0.038 0.000 0.280 81 V C -0.800 175.471 176.094 0.295 0.000 1.016 81 V CA -0.856 61.592 62.300 0.247 0.000 0.818 81 V CB 1.139 32.877 31.823 -0.140 0.000 1.019 81 V HN 0.538 nan 8.190 nan 0.000 0.434 82 V N 3.949 124.120 119.914 0.428 0.000 2.385 82 V HA 0.310 4.453 4.120 0.038 0.000 0.269 82 V C 0.657 177.047 176.094 0.493 0.000 1.043 82 V CA -0.054 62.493 62.300 0.411 0.000 0.906 82 V CB 1.357 33.389 31.823 0.350 0.000 0.995 82 V HN 0.778 nan 8.190 nan 0.000 0.467 83 D N 1.814 122.435 120.400 0.369 0.000 2.277 83 D HA 0.136 4.798 4.640 0.038 0.000 0.209 83 D C 0.882 177.321 176.300 0.232 0.000 0.970 83 D CA 0.874 55.080 54.000 0.344 0.000 0.874 83 D CB 0.869 41.842 40.800 0.289 0.000 0.982 83 D HN 0.549 nan 8.370 nan 0.000 0.504 84 S N -1.597 114.199 115.700 0.159 0.000 2.638 84 S HA 0.643 5.136 4.470 0.038 0.000 0.274 84 S C -1.903 172.965 174.600 0.447 0.000 1.157 84 S CA -0.914 57.300 58.200 0.023 0.000 0.826 84 S CB 0.789 63.813 63.200 -0.292 0.000 1.139 84 S HN 0.196 nan 8.310 nan 0.000 0.474 85 W N 0.112 121.715 121.300 0.504 0.000 2.962 85 W HA 0.831 5.514 4.660 0.038 0.000 0.405 85 W C 0.146 177.051 176.519 0.642 0.000 1.121 85 W CA -0.376 57.370 57.345 0.668 0.000 1.164 85 W CB -0.016 29.730 29.460 0.476 0.000 1.489 85 W HN 0.804 nan 8.180 nan 0.000 0.599 86 G N -0.143 109.094 108.800 0.729 0.000 3.198 86 G HA2 0.313 4.296 3.960 0.038 0.000 0.203 86 G HA3 0.313 4.296 3.960 0.038 0.000 0.203 86 G C 0.749 175.909 174.900 0.434 0.000 1.950 86 G CA 0.466 45.807 45.100 0.401 0.000 0.798 86 G HN 0.843 nan 8.290 nan 0.000 0.720 87 T N -3.000 111.782 114.554 0.380 0.000 3.100 87 T HA 0.201 4.574 4.350 0.038 0.000 0.253 87 T C 0.031 174.980 174.700 0.416 0.000 1.118 87 T CA 0.398 62.695 62.100 0.330 0.000 1.058 87 T CB -0.112 68.893 68.868 0.228 0.000 0.953 87 T HN 0.239 nan 8.240 nan 0.000 0.515 88 Y N 1.657 122.164 120.300 0.346 0.000 2.329 88 Y HA 0.551 5.123 4.550 0.037 0.000 0.328 88 Y C -0.310 175.633 175.900 0.073 0.000 0.992 88 Y CA -2.028 56.190 58.100 0.196 0.000 1.151 88 Y CB 1.323 39.867 38.460 0.139 0.000 1.150 88 Y HN -0.042 nan 8.280 nan 0.000 0.450 89 R N 8.170 128.166 120.500 -0.840 0.000 2.248 89 R HA 0.359 4.722 4.340 0.038 0.000 0.328 89 R C -2.614 172.764 176.300 -1.536 0.000 1.067 89 R CA -1.782 53.445 56.100 -1.455 0.000 0.924 89 R CB 0.558 30.138 30.300 -1.201 0.000 1.013 89 R HN 0.436 nan 8.270 nan 0.000 0.454 90 P HA 0.085 nan 4.420 nan 0.000 0.276 90 P C -0.916 175.686 177.300 -1.164 0.000 1.230 90 P CA -0.059 62.335 63.100 -1.177 0.000 0.776 90 P CB 1.559 32.537 31.700 -1.202 0.000 0.888 91 T N -0.258 113.610 114.554 -1.143 0.000 2.778 91 T HA 0.859 5.232 4.350 0.038 0.000 0.293 91 T C -0.108 173.891 174.700 -1.169 0.000 1.144 91 T CA -0.488 60.709 62.100 -1.504 0.000 1.010 91 T CB 1.840 70.021 68.868 -1.144 0.000 1.325 91 T HN 0.539 nan 8.240 nan 0.000 0.515 92 G N -0.235 107.915 108.800 -1.083 0.000 2.604 92 G HA2 0.507 4.490 3.960 0.038 0.000 0.242 92 G HA3 0.507 4.490 3.960 0.038 0.000 0.242 92 G C -1.019 173.833 174.900 -0.080 0.000 1.208 92 G CA -0.506 44.337 45.100 -0.428 0.000 0.912 92 G HN 0.868 nan 8.290 nan 0.000 0.502 93 T N 1.371 115.957 114.554 0.054 0.000 2.751 93 T HA 0.273 4.646 4.350 0.038 0.000 0.290 93 T C -0.398 174.453 174.700 0.253 0.000 0.919 93 T CA 0.259 62.437 62.100 0.131 0.000 1.136 93 T CB 0.152 69.058 68.868 0.063 0.000 0.875 93 T HN 0.384 nan 8.240 nan 0.000 0.532 94 Y N 4.096 124.493 120.300 0.161 0.000 2.526 94 Y HA 0.118 4.691 4.550 0.037 0.000 0.330 94 Y C 1.138 176.976 175.900 -0.104 0.000 1.156 94 Y CA 0.164 58.275 58.100 0.018 0.000 1.419 94 Y CB 0.564 39.033 38.460 0.014 0.000 1.250 94 Y HN 0.456 nan 8.280 nan 0.000 0.540 95 K N 3.967 123.801 120.400 -0.943 0.000 2.424 95 K HA 0.445 4.788 4.320 0.038 0.000 0.198 95 K C 0.532 176.367 176.600 -1.275 0.000 1.190 95 K CA 0.705 56.492 56.287 -0.833 0.000 0.935 95 K CB 0.982 33.134 32.500 -0.579 0.000 1.087 95 K HN 0.882 nan 8.250 nan 0.000 0.524 96 G N 0.711 108.574 108.800 -1.561 0.000 2.336 96 G HA2 0.189 4.172 3.960 0.038 0.000 0.286 96 G HA3 0.189 4.172 3.960 0.038 0.000 0.286 96 G C -1.429 173.188 174.900 -0.472 0.000 1.269 96 G CA -0.177 44.344 45.100 -0.964 0.000 0.873 96 G HN 0.052 nan 8.290 nan 0.000 0.494 97 T N -2.962 111.541 114.554 -0.086 0.000 2.906 97 T HA 0.805 5.177 4.350 0.038 0.000 0.295 97 T C -1.297 173.461 174.700 0.097 0.000 1.075 97 T CA -0.487 61.647 62.100 0.056 0.000 1.005 97 T CB 1.902 70.840 68.868 0.116 0.000 1.136 97 T HN 1.930 nan 8.240 nan 0.000 0.498 98 V N 1.104 121.092 119.914 0.124 0.000 2.760 98 V HA 0.607 4.750 4.120 0.038 0.000 0.309 98 V C -1.291 174.869 176.094 0.110 0.000 1.077 98 V CA -0.890 61.442 62.300 0.054 0.000 0.910 98 V CB 2.000 33.772 31.823 -0.085 0.000 1.008 98 V HN 1.002 nan 8.190 nan 0.000 0.424 99 K N 3.613 124.044 120.400 0.052 0.000 2.201 99 K HA 0.720 5.063 4.320 0.038 0.000 0.278 99 K C -0.730 175.888 176.600 0.029 0.000 1.027 99 K CA -0.182 56.156 56.287 0.086 0.000 0.909 99 K CB 1.659 34.190 32.500 0.053 0.000 1.062 99 K HN 0.648 nan 8.250 nan 0.000 0.465 100 S N 2.250 118.027 115.700 0.128 0.000 2.548 100 S HA 0.103 4.596 4.470 0.038 0.000 0.278 100 S C -1.411 173.315 174.600 0.210 0.000 1.150 100 S CA -0.700 57.538 58.200 0.064 0.000 0.907 100 S CB 0.717 63.809 63.200 -0.180 0.000 1.108 100 S HN 0.809 nan 8.310 nan 0.000 0.459 101 D N 2.890 123.368 120.400 0.129 0.000 2.689 101 D HA -0.184 4.478 4.640 0.038 0.000 0.237 101 D C 0.946 177.331 176.300 0.141 0.000 1.148 101 D CA 1.602 55.683 54.000 0.136 0.000 0.656 101 D CB -1.533 39.371 40.800 0.173 0.000 1.050 101 D HN 1.567 nan 8.370 nan 0.000 0.426 102 G N -1.200 107.664 108.800 0.107 0.000 2.168 102 G HA2 -0.176 3.807 3.960 0.038 0.000 0.263 102 G HA3 -0.176 3.807 3.960 0.038 0.000 0.263 102 G C 0.545 175.493 174.900 0.079 0.000 0.977 102 G CA 0.672 45.820 45.100 0.080 0.000 0.659 102 G HN 0.967 nan 8.290 nan 0.000 0.533 103 G N -1.643 107.229 108.800 0.121 0.000 2.569 103 G HA2 0.717 4.699 3.960 0.038 0.000 0.300 103 G HA3 0.717 4.699 3.960 0.038 0.000 0.300 103 G C -0.656 174.275 174.900 0.052 0.000 1.269 103 G CA 0.258 45.374 45.100 0.027 0.000 0.959 103 G HN 0.578 nan 8.290 nan 0.000 0.478 104 T N 0.626 115.149 114.554 -0.051 0.000 2.797 104 T HA 0.524 4.897 4.350 0.038 0.000 0.279 104 T C -1.343 173.322 174.700 -0.057 0.000 0.991 104 T CA 0.017 62.143 62.100 0.042 0.000 0.979 104 T CB 0.869 69.768 68.868 0.051 0.000 0.943 104 T HN 0.313 nan 8.240 nan 0.000 0.444 105 Y N 1.057 121.444 120.300 0.144 0.000 2.393 105 Y HA 0.380 4.952 4.550 0.035 0.000 0.341 105 Y C 0.445 176.418 175.900 0.123 0.000 0.988 105 Y CA -1.237 56.978 58.100 0.193 0.000 1.078 105 Y CB 1.139 39.783 38.460 0.308 0.000 1.203 105 Y HN 0.519 nan 8.280 nan 0.000 0.453 106 D N 3.129 123.656 120.400 0.212 0.000 2.304 106 D HA 0.321 4.984 4.640 0.038 0.000 0.250 106 D C -0.354 175.842 176.300 -0.173 0.000 1.107 106 D CA 0.095 54.081 54.000 -0.024 0.000 0.885 106 D CB 1.470 42.187 40.800 -0.138 0.000 1.192 106 D HN 0.397 nan 8.370 nan 0.000 0.436 107 I N 2.580 122.926 120.570 -0.373 0.000 2.336 107 I HA 0.224 4.416 4.170 0.038 0.000 0.292 107 I C -0.665 175.114 176.117 -0.564 0.000 0.991 107 I CA -0.599 60.536 61.300 -0.274 0.000 1.227 107 I CB 0.526 38.450 38.000 -0.127 0.000 1.366 107 I HN 0.167 nan 8.210 nan 0.000 0.466 108 Y N 2.856 123.161 120.300 0.008 0.000 2.536 108 Y HA 0.566 5.138 4.550 0.037 0.000 0.347 108 Y C 0.390 176.325 175.900 0.057 0.000 1.000 108 Y CA -1.055 57.027 58.100 -0.029 0.000 1.051 108 Y CB 2.234 40.627 38.460 -0.112 0.000 1.259 108 Y HN 0.505 nan 8.280 nan 0.000 0.468 109 T N -1.583 113.101 114.554 0.217 0.000 2.885 109 T HA 0.806 5.179 4.350 0.038 0.000 0.285 109 T C -0.298 174.516 174.700 0.190 0.000 1.019 109 T CA -0.700 61.549 62.100 0.248 0.000 1.010 109 T CB 1.687 70.642 68.868 0.145 0.000 1.022 109 T HN 0.731 nan 8.240 nan 0.000 0.466 110 T N -0.603 114.104 114.554 0.255 0.000 2.888 110 T HA 0.786 5.159 4.350 0.038 0.000 0.288 110 T C -0.253 174.482 174.700 0.058 0.000 1.063 110 T CA -0.739 61.429 62.100 0.114 0.000 1.010 110 T CB 1.692 70.635 68.868 0.124 0.000 1.214 110 T HN 0.683 nan 8.240 nan 0.000 0.533 125 F N -0.054 119.873 119.950 -0.039 0.000 2.556 125 F HA 0.904 5.453 4.527 0.037 0.000 0.327 125 F C -0.205 175.572 175.800 -0.038 0.000 1.059 125 F CA -1.033 56.937 58.000 -0.051 0.000 0.953 125 F CB 1.247 40.199 39.000 -0.080 0.000 1.227 125 F HN 0.630 nan 8.300 nan 0.000 0.478 126 T N 1.562 116.170 114.554 0.091 0.000 2.907 126 T HA 0.407 4.780 4.350 0.038 0.000 0.284 126 T C -0.690 174.017 174.700 0.012 0.000 1.004 126 T CA -0.623 61.486 62.100 0.015 0.000 1.063 126 T CB 1.279 70.197 68.868 0.083 0.000 0.992 126 T HN 0.624 nan 8.240 nan 0.000 0.483 127 Q N 0.912 120.738 119.800 0.043 0.000 2.309 127 Q HA 0.465 4.828 4.340 0.038 0.000 0.264 127 Q C -1.380 174.695 176.000 0.124 0.000 1.008 127 Q CA -0.951 54.864 55.803 0.020 0.000 0.853 127 Q CB 1.649 30.463 28.738 0.127 0.000 1.314 127 Q HN 0.534 nan 8.270 nan 0.000 0.448 128 Y N 0.448 120.614 120.300 -0.224 0.000 2.360 128 Y HA 0.430 5.002 4.550 0.037 0.000 0.337 128 Y C -0.851 174.748 175.900 -0.501 0.000 1.039 128 Y CA -1.583 56.236 58.100 -0.469 0.000 1.109 128 Y CB 0.857 38.734 38.460 -0.971 0.000 1.201 128 Y HN 0.546 nan 8.280 nan 0.000 0.458 129 W N 0.478 121.701 121.300 -0.130 0.000 2.883 129 W HA 0.657 5.340 4.660 0.038 0.000 0.335 129 W C -0.579 176.108 176.519 0.280 0.000 1.083 129 W CA -0.609 56.822 57.345 0.144 0.000 1.233 129 W CB 2.037 31.592 29.460 0.158 0.000 1.412 129 W HN 0.211 nan 8.180 nan 0.000 0.490 130 S N 1.623 117.787 115.700 0.773 0.000 2.478 130 S HA 0.727 5.219 4.470 0.038 0.000 0.312 130 S C -1.048 173.950 174.600 0.664 0.000 1.094 130 S CA -0.655 57.973 58.200 0.714 0.000 1.081 130 S CB 1.188 64.791 63.200 0.671 0.000 1.007 130 S HN 0.207 nan 8.310 nan 0.000 0.475 131 V N 4.258 124.539 119.914 0.611 0.000 2.483 131 V HA 0.438 4.580 4.120 0.038 0.000 0.297 131 V C 0.296 176.633 176.094 0.405 0.000 1.027 131 V CA -0.917 61.665 62.300 0.469 0.000 0.855 131 V CB 1.589 33.562 31.823 0.250 0.000 0.995 131 V HN 0.782 nan 8.190 nan 0.000 0.424 132 R N 2.419 123.134 120.500 0.359 0.000 2.623 132 R HA 0.078 4.441 4.340 0.038 0.000 0.271 132 R C 1.248 177.643 176.300 0.158 0.000 1.043 132 R CA 0.255 56.315 56.100 -0.067 0.000 1.083 132 R CB 0.539 30.803 30.300 -0.059 0.000 0.974 132 R HN 0.751 nan 8.270 nan 0.000 0.436 133 Q N 0.598 120.426 119.800 0.048 0.000 2.167 133 Q HA -0.069 4.294 4.340 0.038 0.000 0.202 133 Q C 0.135 176.279 176.000 0.240 0.000 0.970 133 Q CA 1.318 57.198 55.803 0.127 0.000 0.855 133 Q CB 0.253 29.032 28.738 0.068 0.000 0.911 133 Q HN 0.661 nan 8.270 nan 0.000 0.438 134 S N -0.615 115.218 115.700 0.222 0.000 2.599 134 S HA 0.432 4.925 4.470 0.038 0.000 0.287 134 S C -0.936 173.713 174.600 0.082 0.000 1.105 134 S CA -1.184 57.150 58.200 0.224 0.000 0.899 134 S CB 1.964 65.222 63.200 0.095 0.000 1.100 134 S HN -0.038 nan 8.310 nan 0.000 0.482 135 K N 1.053 121.313 120.400 -0.234 0.000 2.484 135 K HA 0.060 4.403 4.320 0.038 0.000 0.280 135 K C 0.292 176.812 176.600 -0.134 0.000 1.013 135 K CA 0.073 56.096 56.287 -0.439 0.000 1.029 135 K CB 0.367 32.531 32.500 -0.560 0.000 0.902 135 K HN 0.471 nan 8.250 nan 0.000 0.481 136 R N 3.815 124.279 120.500 -0.059 0.000 2.442 136 R HA 0.075 4.438 4.340 0.038 0.000 0.291 136 R C -2.177 174.135 176.300 0.020 0.000 1.069 136 R CA -1.426 54.685 56.100 0.017 0.000 1.022 136 R CB 0.310 30.669 30.300 0.097 0.000 0.976 136 R HN 0.320 nan 8.270 nan 0.000 0.443 137 P HA -0.009 nan 4.420 nan 0.000 0.266 137 P C -0.859 176.478 177.300 0.061 0.000 1.195 137 P CA 0.157 63.282 63.100 0.043 0.000 0.768 137 P CB 0.871 32.592 31.700 0.034 0.000 0.838 138 T N -1.489 113.119 114.554 0.090 0.000 2.942 138 T HA 0.640 5.012 4.350 0.038 0.000 0.289 138 T C 0.843 175.604 174.700 0.103 0.000 1.044 138 T CA -0.056 62.114 62.100 0.116 0.000 1.023 138 T CB 1.796 70.778 68.868 0.190 0.000 1.123 138 T HN 0.660 nan 8.240 nan 0.000 0.512 139 G N 0.486 109.348 108.800 0.104 0.000 2.238 139 G HA2 -0.152 3.831 3.960 0.038 0.000 0.217 139 G HA3 -0.152 3.831 3.960 0.038 0.000 0.217 139 G C 0.189 175.132 174.900 0.070 0.000 0.996 139 G CA 0.093 45.248 45.100 0.092 0.000 0.632 139 G HN 1.020 nan 8.290 nan 0.000 0.503 140 S N 0.636 116.365 115.700 0.047 0.000 2.681 140 S HA 0.636 5.129 4.470 0.038 0.000 0.299 140 S C -0.065 174.544 174.600 0.015 0.000 1.113 140 S CA -0.710 57.513 58.200 0.039 0.000 1.013 140 S CB 1.114 64.331 63.200 0.027 0.000 1.076 140 S HN 0.359 nan 8.310 nan 0.000 0.534 141 N N 1.888 120.627 118.700 0.064 0.000 2.447 141 N HA 0.386 5.149 4.740 0.038 0.000 0.263 141 N C -0.427 175.020 175.510 -0.104 0.000 1.226 141 N CA 0.167 53.264 53.050 0.079 0.000 0.906 141 N CB 0.388 39.022 38.487 0.245 0.000 1.060 141 N HN 0.687 nan 8.380 nan 0.000 0.468 142 A N 1.281 123.888 122.820 -0.355 0.000 2.380 142 A HA 0.781 5.124 4.320 0.038 0.000 0.315 142 A C -0.095 177.261 177.584 -0.379 0.000 1.101 142 A CA -0.698 51.082 52.037 -0.429 0.000 0.771 142 A CB 1.077 19.619 19.000 -0.763 0.000 1.287 142 A HN 0.590 nan 8.150 nan 0.000 0.436 143 T N -1.054 113.410 114.554 -0.150 0.000 2.863 143 T HA 0.729 5.102 4.350 0.038 0.000 0.285 143 T C -0.673 174.080 174.700 0.088 0.000 1.009 143 T CA -0.379 61.689 62.100 -0.053 0.000 0.989 143 T CB 0.896 69.746 68.868 -0.029 0.000 1.004 143 T HN 0.432 nan 8.240 nan 0.000 0.455 144 I N 2.493 123.137 120.570 0.123 0.000 2.382 144 I HA 0.251 4.444 4.170 0.038 0.000 0.285 144 I C 0.071 176.258 176.117 0.118 0.000 1.007 144 I CA -0.752 60.643 61.300 0.159 0.000 1.142 144 I CB 1.836 39.926 38.000 0.149 0.000 1.289 144 I HN 0.717 nan 8.210 nan 0.000 0.453 145 T N 6.760 121.390 114.554 0.127 0.000 3.176 145 T HA 0.070 4.442 4.350 0.038 0.000 0.301 145 T C 0.946 175.730 174.700 0.140 0.000 1.115 145 T CA -0.210 61.939 62.100 0.082 0.000 1.027 145 T CB -0.184 68.698 68.868 0.024 0.000 1.063 145 T HN 0.400 nan 8.240 nan 0.000 0.669 146 F N 3.400 123.318 119.950 -0.054 0.000 2.161 146 F HA -0.185 4.368 4.527 0.044 0.000 0.300 146 F C 2.507 178.195 175.800 -0.187 0.000 1.089 146 F CA 1.671 59.602 58.000 -0.114 0.000 1.282 146 F CB -0.637 38.253 39.000 -0.183 0.000 1.010 146 F HN 0.554 nan 8.300 nan 0.000 0.485 147 S N 0.176 115.740 115.700 -0.226 0.000 2.400 147 S HA -0.251 4.242 4.470 0.038 0.000 0.232 147 S C 1.914 176.300 174.600 -0.357 0.000 1.025 147 S CA 1.435 59.437 58.200 -0.330 0.000 0.993 147 S CB -0.823 62.317 63.200 -0.100 0.000 0.808 147 S HN 0.464 nan 8.310 nan 0.000 0.478 148 N N 1.663 120.184 118.700 -0.298 0.000 2.120 148 N HA -0.084 4.679 4.740 0.038 0.000 0.188 148 N C 1.704 176.879 175.510 -0.558 0.000 1.024 148 N CA 1.675 54.506 53.050 -0.366 0.000 0.852 148 N CB -0.725 37.555 38.487 -0.346 0.000 1.003 148 N HN 0.651 nan 8.380 nan 0.000 0.424 149 H N 0.086 118.788 119.070 -0.612 0.000 2.326 149 H HA 0.034 4.613 4.556 0.039 0.000 0.301 149 H C 2.156 176.630 175.328 -1.423 0.000 1.081 149 H CA 0.943 56.383 56.048 -1.012 0.000 1.334 149 H CB -0.254 28.884 29.762 -1.041 0.000 1.385 149 H HN -0.019 nan 8.280 nan 0.000 0.504 150 V N 2.126 121.334 119.914 -1.176 0.000 2.287 150 V HA -0.263 3.880 4.120 0.038 0.000 0.248 150 V C 2.125 177.957 176.094 -0.438 0.000 1.053 150 V CA 1.831 63.608 62.300 -0.871 0.000 1.027 150 V CB -0.375 30.939 31.823 -0.848 0.000 0.646 150 V HN 0.453 nan 8.190 nan 0.000 0.447 151 N N 0.396 118.864 118.700 -0.387 0.000 2.142 151 N HA -0.087 4.676 4.740 0.038 0.000 0.186 151 N C 1.886 177.282 175.510 -0.190 0.000 1.023 151 N CA 1.616 54.527 53.050 -0.232 0.000 0.852 151 N CB -0.533 37.836 38.487 -0.196 0.000 0.998 151 N HN 0.493 nan 8.380 nan 0.000 0.424 152 A N 0.959 123.640 122.820 -0.233 0.000 1.877 152 A HA -0.130 4.213 4.320 0.038 0.000 0.216 152 A C 1.877 179.509 177.584 0.080 0.000 1.186 152 A CA 1.076 53.048 52.037 -0.108 0.000 0.620 152 A CB -0.914 18.020 19.000 -0.110 0.000 0.822 152 A HN 0.304 nan 8.150 nan 0.000 0.443 153 W N 0.425 121.672 121.300 -0.089 0.000 2.335 153 W HA -0.129 4.553 4.660 0.036 0.000 0.311 153 W C 2.185 178.601 176.519 -0.172 0.000 1.213 153 W CA 1.217 58.483 57.345 -0.132 0.000 1.274 153 W CB -1.030 28.303 29.460 -0.212 0.000 1.148 153 W HN 0.367 nan 8.180 nan 0.000 0.498 154 K N 0.485 120.915 120.400 0.049 0.000 2.063 154 K HA -0.190 4.153 4.320 0.038 0.000 0.208 154 K C 2.175 178.723 176.600 -0.087 0.000 1.048 154 K CA 2.276 58.547 56.287 -0.027 0.000 0.928 154 K CB -0.731 31.740 32.500 -0.049 0.000 0.713 154 K HN 0.114 nan 8.250 nan 0.000 0.442 155 S N 0.613 116.211 115.700 -0.169 0.000 2.465 155 S HA -0.158 4.335 4.470 0.038 0.000 0.241 155 S C 1.165 175.496 174.600 -0.448 0.000 1.000 155 S CA 0.937 58.944 58.200 -0.321 0.000 0.964 155 S CB -0.313 62.635 63.200 -0.420 0.000 0.763 155 S HN 0.316 nan 8.310 nan 0.000 0.512 156 H N 0.364 119.401 119.070 -0.054 0.000 2.486 156 H HA 0.385 4.964 4.556 0.038 0.000 0.284 156 H C 1.550 176.823 175.328 -0.093 0.000 1.103 156 H CA 0.093 56.094 56.048 -0.079 0.000 1.089 156 H CB 0.076 29.774 29.762 -0.107 0.000 1.603 156 H HN 0.564 nan 8.280 nan 0.000 0.557 157 G N 1.622 110.410 108.800 -0.019 0.000 2.143 157 G HA2 -0.301 3.681 3.960 0.038 0.000 0.248 157 G HA3 -0.301 3.681 3.960 0.038 0.000 0.248 157 G C 0.234 175.096 174.900 -0.064 0.000 0.991 157 G CA 0.095 45.180 45.100 -0.025 0.000 0.689 157 G HN 0.307 nan 8.290 nan 0.000 0.522 158 M N 1.618 121.122 119.600 -0.160 0.000 2.208 158 M HA 0.325 4.828 4.480 0.038 0.000 0.352 158 M C -0.246 175.926 176.300 -0.214 0.000 1.137 158 M CA -0.334 54.673 55.300 -0.489 0.000 1.091 158 M CB 0.672 32.613 32.600 -1.098 0.000 1.309 158 M HN 0.071 nan 8.290 nan 0.000 0.408 159 N N 3.362 122.119 118.700 0.094 0.000 2.400 159 N HA 0.533 5.296 4.740 0.038 0.000 0.288 159 N C -0.891 174.810 175.510 0.318 0.000 1.024 159 N CA -0.459 52.701 53.050 0.183 0.000 0.894 159 N CB 2.224 40.771 38.487 0.099 0.000 1.173 159 N HN 0.472 nan 8.380 nan 0.000 0.487 160 L N 0.673 122.040 121.223 0.239 0.000 2.439 160 L HA 0.368 4.731 4.340 0.038 0.000 0.261 160 L C 1.638 178.456 176.870 -0.086 0.000 1.153 160 L CA -0.540 54.334 54.840 0.056 0.000 0.808 160 L CB 0.500 42.517 42.059 -0.070 0.000 1.126 160 L HN 0.491 nan 8.230 nan 0.000 0.460 161 G N 0.029 108.680 108.800 -0.248 0.000 2.684 161 G HA2 0.158 4.140 3.960 0.038 0.000 0.255 161 G HA3 0.158 4.140 3.960 0.038 0.000 0.255 161 G C 0.600 175.358 174.900 -0.237 0.000 1.219 161 G CA -0.392 44.577 45.100 -0.218 0.000 0.901 161 G HN 0.664 nan 8.290 nan 0.000 0.548 162 S N -0.438 115.197 115.700 -0.108 0.000 2.478 162 S HA 0.005 4.497 4.470 0.038 0.000 0.222 162 S C 1.060 175.685 174.600 0.043 0.000 1.008 162 S CA 0.034 58.241 58.200 0.012 0.000 0.928 162 S CB -0.013 63.206 63.200 0.033 0.000 0.781 162 S HN 0.553 nan 8.310 nan 0.000 0.518 163 N N 1.005 119.656 118.700 -0.082 0.000 2.678 163 N HA 0.183 4.946 4.740 0.038 0.000 0.231 163 N C -1.726 173.684 175.510 -0.167 0.000 1.038 163 N CA -0.532 52.486 53.050 -0.054 0.000 0.932 163 N CB 0.083 38.531 38.487 -0.064 0.000 1.176 163 N HN 0.118 nan 8.380 nan 0.000 0.511 164 W N 2.877 124.069 121.300 -0.179 0.000 2.253 164 W HA 0.441 5.122 4.660 0.036 0.000 0.322 164 W C 0.872 177.143 176.519 -0.412 0.000 1.342 164 W CA -0.249 56.944 57.345 -0.254 0.000 1.218 164 W CB 0.511 29.870 29.460 -0.169 0.000 1.205 164 W HN 0.471 nan 8.180 nan 0.000 0.551 165 A N 3.863 126.339 122.820 -0.573 0.000 3.538 165 A HA 0.641 4.984 4.320 0.038 0.000 0.174 165 A C -0.797 176.419 177.584 -0.614 0.000 1.733 165 A CA -0.428 51.042 52.037 -0.945 0.000 0.888 165 A CB -0.479 17.052 19.000 -2.448 0.000 1.804 165 A HN 0.602 nan 8.150 nan 0.000 0.626 166 Y N -1.180 118.751 120.300 -0.614 0.000 2.281 166 Y HA 0.596 5.171 4.550 0.041 0.000 0.337 166 Y C 0.038 175.847 175.900 -0.152 0.000 1.304 166 Y CA -0.575 57.337 58.100 -0.314 0.000 1.465 166 Y CB 0.400 38.614 38.460 -0.410 0.000 1.350 166 Y HN 0.652 nan 8.280 nan 0.000 0.575 167 Q N 1.931 121.923 119.800 0.320 0.000 2.275 167 Q HA 0.612 4.975 4.340 0.038 0.000 0.258 167 Q C -2.067 174.172 176.000 0.399 0.000 0.960 167 Q CA -0.812 55.148 55.803 0.261 0.000 0.801 167 Q CB 2.086 30.968 28.738 0.240 0.000 1.302 167 Q HN 0.918 nan 8.270 nan 0.000 0.433 168 V N 0.719 120.803 119.914 0.283 0.000 3.078 168 V HA 0.717 4.859 4.120 0.038 0.000 0.311 168 V C -0.914 175.265 176.094 0.142 0.000 1.138 168 V CA -1.182 61.243 62.300 0.207 0.000 1.007 168 V CB 2.039 33.906 31.823 0.073 0.000 1.045 168 V HN 0.874 nan 8.190 nan 0.000 0.432 169 M N 3.702 123.378 119.600 0.126 0.000 2.094 169 M HA 0.805 5.308 4.480 0.038 0.000 0.348 169 M C -0.103 176.265 176.300 0.113 0.000 1.267 169 M CA -0.230 55.119 55.300 0.082 0.000 1.125 169 M CB -0.209 32.439 32.600 0.079 0.000 1.527 169 M HN 1.246 nan 8.290 nan 0.000 0.447 170 A N 3.241 126.096 122.820 0.058 0.000 2.330 170 A HA 0.881 5.224 4.320 0.038 0.000 0.329 170 A C -0.512 177.152 177.584 0.134 0.000 1.135 170 A CA -0.650 51.408 52.037 0.035 0.000 0.817 170 A CB 1.001 19.943 19.000 -0.096 0.000 1.269 170 A HN 0.653 nan 8.150 nan 0.000 0.469 171 T N 1.379 116.049 114.554 0.193 0.000 2.779 171 T HA 0.500 4.873 4.350 0.038 0.000 0.280 171 T C -0.465 174.228 174.700 -0.013 0.000 0.987 171 T CA -0.187 62.068 62.100 0.257 0.000 0.966 171 T CB 0.936 70.116 68.868 0.520 0.000 0.933 171 T HN 0.700 nan 8.240 nan 0.000 0.442 172 E N 1.837 121.949 120.200 -0.147 0.000 2.212 172 E HA 0.679 5.052 4.350 0.038 0.000 0.268 172 E C -0.613 175.435 176.600 -0.920 0.000 0.902 172 E CA -0.858 55.206 56.400 -0.560 0.000 0.779 172 E CB 1.346 30.954 29.700 -0.154 0.000 1.172 172 E HN 0.763 nan 8.360 nan 0.000 0.409 173 G N 2.382 110.222 108.800 -1.601 0.000 2.682 173 G HA2 0.426 4.408 3.960 0.038 0.000 0.300 173 G HA3 0.426 4.408 3.960 0.038 0.000 0.300 173 G C -2.227 172.368 174.900 -0.509 0.000 1.391 173 G CA -0.525 43.888 45.100 -1.145 0.000 0.990 173 G HN 0.428 nan 8.290 nan 0.000 0.501 174 Y N 1.363 121.503 120.300 -0.267 0.000 2.322 174 Y HA 0.376 4.948 4.550 0.036 0.000 0.324 174 Y C 0.510 176.424 175.900 0.024 0.000 1.027 174 Y CA -0.524 57.508 58.100 -0.114 0.000 1.179 174 Y CB 1.263 39.629 38.460 -0.157 0.000 1.136 174 Y HN 0.791 nan 8.280 nan 0.000 0.449 175 Q N 3.305 122.919 119.800 -0.310 0.000 2.443 175 Q HA -0.210 4.153 4.340 0.038 0.000 0.337 175 Q C -0.461 175.538 176.000 -0.002 0.000 1.401 175 Q CA 1.288 56.945 55.803 -0.243 0.000 0.943 175 Q CB -1.484 26.942 28.738 -0.520 0.000 1.177 175 Q HN 0.751 nan 8.270 nan 0.000 0.394 176 S N -2.013 113.798 115.700 0.184 0.000 2.757 176 S HA 0.813 5.306 4.470 0.038 0.000 0.285 176 S C -0.592 174.180 174.600 0.286 0.000 1.196 176 S CA -0.254 58.093 58.200 0.245 0.000 0.856 176 S CB 2.254 65.652 63.200 0.330 0.000 1.212 176 S HN 0.656 nan 8.310 nan 0.000 0.516 177 S N -0.895 114.816 115.700 0.017 0.000 2.661 177 S HA 1.014 5.506 4.470 0.038 0.000 0.285 177 S C 0.048 174.056 174.600 -0.986 0.000 1.138 177 S CA -0.223 57.705 58.200 -0.454 0.000 0.855 177 S CB 1.038 64.079 63.200 -0.264 0.000 1.136 177 S HN 2.493 nan 8.310 nan 0.000 0.484 178 G N 0.168 108.041 108.800 -1.544 0.000 2.341 178 G HA2 0.508 4.491 3.960 0.038 0.000 0.293 178 G HA3 0.508 4.491 3.960 0.038 0.000 0.293 178 G C -1.125 172.940 174.900 -1.391 0.000 1.298 178 G CA -0.113 44.068 45.100 -1.533 0.000 0.868 178 G HN 1.984 nan 8.290 nan 0.000 0.540 179 S N -1.381 113.847 115.700 -0.787 0.000 2.541 179 S HA 0.909 5.402 4.470 0.038 0.000 0.271 179 S C -0.484 174.193 174.600 0.127 0.000 1.133 179 S CA 0.314 58.400 58.200 -0.189 0.000 0.876 179 S CB 1.721 64.847 63.200 -0.123 0.000 1.105 179 S HN 2.327 nan 8.310 nan 0.000 0.470 180 S N 1.310 117.247 115.700 0.396 0.000 2.564 180 S HA 0.716 5.209 4.470 0.038 0.000 0.274 180 S C -1.518 173.250 174.600 0.280 0.000 1.124 180 S CA -0.762 57.715 58.200 0.461 0.000 0.869 180 S CB 1.819 65.484 63.200 0.775 0.000 1.105 180 S HN 0.832 nan 8.310 nan 0.000 0.472 181 N N 1.195 120.008 118.700 0.189 0.000 2.500 181 N HA 0.514 5.277 4.740 0.038 0.000 0.291 181 N C -1.951 173.542 175.510 -0.029 0.000 1.092 181 N CA -0.264 52.810 53.050 0.039 0.000 0.890 181 N CB 2.044 40.569 38.487 0.062 0.000 1.466 181 N HN 0.604 nan 8.380 nan 0.000 0.507 182 V N 2.081 121.817 119.914 -0.297 0.000 2.638 182 V HA 0.521 4.664 4.120 0.038 0.000 0.306 182 V C -0.139 175.861 176.094 -0.156 0.000 1.052 182 V CA -0.586 61.568 62.300 -0.243 0.000 0.885 182 V CB 1.982 33.552 31.823 -0.421 0.000 0.999 182 V HN 0.589 nan 8.190 nan 0.000 0.424 183 T N 3.879 118.515 114.554 0.137 0.000 2.779 183 T HA 0.670 5.042 4.350 0.038 0.000 0.280 183 T C -0.470 174.528 174.700 0.496 0.000 0.987 183 T CA -0.408 61.858 62.100 0.277 0.000 0.966 183 T CB 1.563 70.590 68.868 0.265 0.000 0.933 183 T HN 0.411 nan 8.240 nan 0.000 0.442 184 V N 4.296 124.488 119.914 0.463 0.000 2.604 184 V HA 0.848 4.991 4.120 0.038 0.000 0.305 184 V C -0.678 175.743 176.094 0.546 0.000 1.043 184 V CA -0.975 61.573 62.300 0.413 0.000 0.888 184 V CB 1.226 33.193 31.823 0.239 0.000 0.995 184 V HN 1.063 nan 8.190 nan 0.000 0.429 185 W N 0.000 121.453 121.300 0.254 0.000 2.388 185 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 185 W CA 0.000 57.517 57.345 0.286 0.000 1.226 185 W CB 0.000 29.567 29.460 0.179 0.000 1.126 185 W HN 0.000 nan 8.180 nan 0.000 0.535