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 3qbo_1_B DATA FIRST_RESID 3 DATA SEQUENCE QVYNFSAGPA MLPVEVLRRA QQELRDWHGL GTSVMEVSHR SKEFMQVAEE DATA SEQUENCE SEKDLRDLLN VPANYKVLFC HGGARAQFAA VPLNLLGDRN SADYVDGGYW DATA SEQUENCE AHSAIKEAQK YCTPNVIDVT THDNGLTGIQ PMKQWKLSDN AAYVHYCPNE DATA SEQUENCE TIDGIAIDEQ PDFGNKVVVA DFSSSILSRP IDVSRYGVIY AGAQKNIGPA DATA SEQUENCE GLTLVIVRED LLGKAHTALP SILDYKILAD NDSMFNTPPT FAWYLSGLVF DATA SEQUENCE KWLKEQGGLG EMEKRNQAKA ELLYGAIDRT GFYRNDVAIT NRSWMNVPFQ DATA SEQUENCE MADASLDKLF LSEAEAQGLQ ALKGHRVAGG MRASIYNAMP IEGVKALTDF DATA SEQUENCE MADFERRHG 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.806 176.000 -0.324 0.000 1.003 3 Q CA 0.000 55.654 55.803 -0.248 0.000 1.022 3 Q CB 0.000 28.546 28.738 -0.319 0.000 1.108 4 V N 3.527 123.203 119.914 -0.397 0.000 2.427 4 V HA 0.544 4.664 4.120 -0.000 0.000 0.286 4 V C -1.062 174.713 176.094 -0.532 0.000 1.034 4 V CA -0.359 61.754 62.300 -0.312 0.000 0.893 4 V CB 1.072 32.790 31.823 -0.174 0.000 0.982 4 V HN 0.594 nan 8.190 nan 0.000 0.452 5 Y N 2.863 123.105 120.300 -0.097 0.000 2.409 5 Y HA 0.523 5.073 4.550 -0.000 0.000 0.343 5 Y C 0.178 175.863 175.900 -0.359 0.000 0.973 5 Y CA -1.089 56.853 58.100 -0.263 0.000 1.064 5 Y CB 1.794 40.077 38.460 -0.296 0.000 1.207 5 Y HN 0.633 nan 8.280 nan 0.000 0.452 6 N N 2.429 120.935 118.700 -0.323 0.000 2.573 6 N HA 0.257 4.997 4.740 -0.000 0.000 0.262 6 N C -1.330 174.017 175.510 -0.272 0.000 1.029 6 N CA -0.561 52.377 53.050 -0.187 0.000 0.882 6 N CB 0.189 38.628 38.487 -0.081 0.000 1.204 6 N HN 0.482 nan 8.380 nan 0.000 0.519 7 F N 0.832 120.827 119.950 0.073 0.000 2.664 7 F HA 0.272 4.799 4.527 -0.000 0.000 0.301 7 F C 1.526 177.360 175.800 0.057 0.000 1.126 7 F CA -0.320 57.711 58.000 0.052 0.000 1.373 7 F CB -0.008 39.013 39.000 0.034 0.000 1.042 7 F HN 0.338 nan 8.300 nan 0.000 0.535 8 S N 0.601 116.413 115.700 0.187 0.000 2.558 8 S HA 0.287 4.757 4.470 -0.000 0.000 0.288 8 S C 1.376 176.123 174.600 0.245 0.000 1.318 8 S CA 0.187 58.492 58.200 0.175 0.000 1.056 8 S CB 1.007 64.282 63.200 0.127 0.000 0.853 8 S HN 0.393 nan 8.310 nan 0.000 0.505 9 A N 3.724 126.687 122.820 0.238 0.000 2.072 9 A HA 0.515 4.835 4.320 -0.000 0.000 0.216 9 A C 1.080 178.879 177.584 0.357 0.000 1.156 9 A CA 0.624 52.861 52.037 0.334 0.000 0.701 9 A CB -0.585 18.555 19.000 0.233 0.000 0.816 9 A HN 1.671 nan 8.150 nan 0.000 0.458 10 G N -0.389 108.535 108.800 0.208 0.000 2.158 10 G HA2 0.388 4.348 3.960 -0.000 0.000 0.238 10 G HA3 0.388 4.348 3.960 -0.000 0.000 0.238 10 G C -3.172 171.775 174.900 0.079 0.000 1.723 10 G CA -0.816 44.346 45.100 0.104 0.000 0.911 10 G HN 0.066 nan 8.290 nan 0.000 0.741 11 P HA 0.507 nan 4.420 nan 0.000 0.267 11 P C 0.313 177.639 177.300 0.044 0.000 1.201 11 P CA 0.493 63.604 63.100 0.018 0.000 0.775 11 P CB 0.965 32.673 31.700 0.014 0.000 0.854 12 A N 1.720 124.549 122.820 0.015 0.000 2.486 12 A HA 0.635 4.955 4.320 -0.000 0.000 0.289 12 A C -0.314 177.279 177.584 0.015 0.000 1.176 12 A CA -0.954 51.120 52.037 0.062 0.000 0.757 12 A CB 0.954 19.992 19.000 0.064 0.000 1.337 12 A HN 0.603 nan 8.150 nan 0.000 0.423 13 M N 1.034 120.655 119.600 0.036 0.000 2.248 13 M HA 0.175 4.655 4.480 -0.000 0.000 0.343 13 M C -1.227 175.033 176.300 -0.067 0.000 1.243 13 M CA 0.674 55.962 55.300 -0.021 0.000 1.025 13 M CB -0.301 32.287 32.600 -0.021 0.000 1.759 13 M HN 0.526 nan 8.290 nan 0.000 0.452 14 L N 6.288 127.444 121.223 -0.112 0.000 2.375 14 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 14 L C -2.145 174.558 176.870 -0.277 0.000 1.058 14 L CA -2.315 52.413 54.840 -0.186 0.000 0.803 14 L CB 0.918 42.874 42.059 -0.172 0.000 1.212 14 L HN 0.540 nan 8.230 nan 0.000 0.451 15 P HA 0.010 nan 4.420 nan 0.000 0.267 15 P C 0.865 177.892 177.300 -0.456 0.000 1.205 15 P CA -0.170 62.500 63.100 -0.716 0.000 0.765 15 P CB 0.784 31.491 31.700 -1.655 0.000 0.828 16 V N 3.388 123.126 119.914 -0.292 0.000 2.324 16 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 16 V C 1.915 177.927 176.094 -0.138 0.000 1.060 16 V CA 2.078 64.283 62.300 -0.159 0.000 1.042 16 V CB -1.008 30.768 31.823 -0.078 0.000 0.650 16 V HN 0.594 nan 8.190 nan 0.000 0.450 17 E N -0.392 119.719 120.200 -0.148 0.000 2.150 17 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 17 E C 2.092 178.641 176.600 -0.085 0.000 0.985 17 E CA 1.073 57.442 56.400 -0.051 0.000 0.814 17 E CB -0.325 29.432 29.700 0.094 0.000 0.752 17 E HN 0.443 nan 8.360 nan 0.000 0.466 18 V N 0.832 120.613 119.914 -0.222 0.000 2.295 18 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 18 V C 2.196 178.217 176.094 -0.121 0.000 1.049 18 V CA 1.503 63.690 62.300 -0.189 0.000 1.024 18 V CB -0.370 31.275 31.823 -0.297 0.000 0.648 18 V HN 0.297 nan 8.190 nan 0.000 0.447 19 L N -0.733 120.417 121.223 -0.121 0.000 2.141 19 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 19 L C 2.752 179.621 176.870 -0.001 0.000 1.094 19 L CA 1.384 56.194 54.840 -0.049 0.000 0.763 19 L CB -0.393 41.632 42.059 -0.057 0.000 0.908 19 L HN 0.256 nan 8.230 nan 0.000 0.437 20 R N -0.104 120.390 120.500 -0.009 0.000 2.075 20 R HA -0.182 4.158 4.340 -0.000 0.000 0.232 20 R C 2.414 178.745 176.300 0.052 0.000 1.126 20 R CA 1.258 57.370 56.100 0.021 0.000 0.963 20 R CB -0.045 30.264 30.300 0.016 0.000 0.858 20 R HN 0.218 nan 8.270 nan 0.000 0.435 21 R N 0.059 120.592 120.500 0.055 0.000 2.070 21 R HA -0.122 4.218 4.340 -0.000 0.000 0.233 21 R C 2.096 178.491 176.300 0.158 0.000 1.137 21 R CA 1.746 57.906 56.100 0.099 0.000 0.945 21 R CB -0.330 30.023 30.300 0.088 0.000 0.845 21 R HN 0.243 nan 8.270 nan 0.000 0.430 22 A N 0.622 123.533 122.820 0.151 0.000 1.940 22 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 22 A C 2.124 179.847 177.584 0.232 0.000 1.176 22 A CA 1.591 53.789 52.037 0.269 0.000 0.631 22 A CB -0.705 18.451 19.000 0.259 0.000 0.814 22 A HN 0.588 nan 8.150 nan 0.000 0.446 23 Q N -0.574 119.316 119.800 0.149 0.000 2.061 23 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 23 Q C 2.109 178.173 176.000 0.107 0.000 0.984 23 Q CA 2.041 57.908 55.803 0.108 0.000 0.846 23 Q CB -0.172 28.606 28.738 0.067 0.000 0.902 23 Q HN 0.810 nan 8.270 nan 0.000 0.421 24 Q N -0.287 119.581 119.800 0.112 0.000 2.369 24 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 24 Q C 0.823 176.906 176.000 0.137 0.000 0.963 24 Q CA 1.282 57.149 55.803 0.105 0.000 0.894 24 Q CB 0.237 29.029 28.738 0.091 0.000 0.965 24 Q HN 0.542 nan 8.270 nan 0.000 0.475 25 E N -0.690 119.628 120.200 0.198 0.000 2.603 25 E HA 0.025 4.375 4.350 -0.000 0.000 0.211 25 E C 1.263 177.998 176.600 0.225 0.000 0.995 25 E CA -0.154 56.400 56.400 0.256 0.000 0.990 25 E CB 0.098 30.048 29.700 0.417 0.000 1.036 25 E HN 0.091 nan 8.360 nan 0.000 0.475 26 L N 1.439 122.759 121.223 0.161 0.000 2.042 26 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 26 L C 2.192 179.095 176.870 0.054 0.000 1.076 26 L CA 1.929 56.829 54.840 0.101 0.000 0.749 26 L CB -0.111 41.983 42.059 0.059 0.000 0.893 26 L HN 0.081 nan 8.230 nan 0.000 0.432 27 R N -1.879 118.661 120.500 0.066 0.000 2.254 27 R HA 0.084 4.424 4.340 -0.000 0.000 0.193 27 R C -0.124 176.222 176.300 0.076 0.000 0.929 27 R CA 0.525 56.653 56.100 0.045 0.000 1.038 27 R CB 0.461 30.777 30.300 0.026 0.000 1.009 27 R HN 0.225 nan 8.270 nan 0.000 0.512 28 D N -0.319 120.151 120.400 0.116 0.000 2.468 28 D HA 0.026 4.666 4.640 -0.000 0.000 0.272 28 D C -1.527 174.892 176.300 0.198 0.000 1.221 28 D CA -0.561 53.515 54.000 0.127 0.000 0.860 28 D CB 0.022 40.868 40.800 0.077 0.000 1.190 28 D HN -0.060 nan 8.370 nan 0.000 0.509 29 W N 3.255 124.578 121.300 0.038 0.000 2.266 29 W HA 0.322 4.982 4.660 -0.000 0.000 0.317 29 W C 0.690 177.306 176.519 0.161 0.000 1.310 29 W CA 0.600 57.991 57.345 0.076 0.000 1.207 29 W CB 0.089 29.547 29.460 -0.003 0.000 1.199 29 W HN 0.545 nan 8.180 nan 0.000 0.544 30 H N 2.906 121.657 119.070 -0.533 0.000 3.179 30 H HA -0.212 4.344 4.556 -0.000 0.000 0.250 30 H C 1.588 176.755 175.328 -0.267 0.000 1.142 30 H CA 2.159 57.842 56.048 -0.609 0.000 1.165 30 H CB -1.095 28.059 29.762 -1.013 0.000 1.253 30 H HN 1.046 nan 8.280 nan 0.000 0.325 31 G N -0.878 107.887 108.800 -0.058 0.000 2.205 31 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.261 31 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.261 31 G C 1.241 176.146 174.900 0.007 0.000 0.980 31 G CA 0.416 45.498 45.100 -0.030 0.000 0.632 31 G HN 0.515 nan 8.290 nan 0.000 0.533 32 L N 0.733 121.978 121.223 0.038 0.000 2.450 32 L HA 0.251 4.591 4.340 -0.000 0.000 0.224 32 L C 2.301 179.206 176.870 0.058 0.000 1.149 32 L CA 1.130 56.004 54.840 0.057 0.000 0.816 32 L CB -0.461 41.658 42.059 0.101 0.000 0.932 32 L HN 1.225 nan 8.230 nan 0.000 0.449 33 G N 0.236 109.073 108.800 0.062 0.000 2.147 33 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 33 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 33 G C 0.238 175.171 174.900 0.054 0.000 1.005 33 G CA 0.426 45.555 45.100 0.049 0.000 0.713 33 G HN 0.406 nan 8.290 nan 0.000 0.515 34 T N -1.708 112.897 114.554 0.084 0.000 2.889 34 T HA 0.646 4.996 4.350 -0.000 0.000 0.315 34 T C 0.090 174.855 174.700 0.108 0.000 1.291 34 T CA 0.822 62.965 62.100 0.072 0.000 1.028 34 T CB 1.543 70.447 68.868 0.061 0.000 1.235 34 T HN 1.157 nan 8.240 nan 0.000 0.491 35 S N 1.304 117.026 115.700 0.036 0.000 2.585 35 S HA 0.245 4.715 4.470 -0.000 0.000 0.273 35 S C 1.559 176.092 174.600 -0.111 0.000 1.339 35 S CA 0.022 58.207 58.200 -0.024 0.000 1.028 35 S CB 0.910 64.049 63.200 -0.101 0.000 0.906 35 S HN 0.830 nan 8.310 nan 0.000 0.528 36 V N 5.524 125.212 119.914 -0.378 0.000 2.759 36 V HA -0.082 4.038 4.120 -0.000 0.000 0.256 36 V C 1.961 177.830 176.094 -0.375 0.000 1.080 36 V CA 2.063 63.933 62.300 -0.716 0.000 1.101 36 V CB -0.580 30.271 31.823 -1.621 0.000 0.698 36 V HN 0.987 nan 8.190 nan 0.000 0.477 37 M N -0.768 118.696 119.600 -0.227 0.000 2.460 37 M HA -0.070 4.409 4.480 -0.000 0.000 0.263 37 M C 1.547 177.751 176.300 -0.160 0.000 1.071 37 M CA 1.517 56.715 55.300 -0.169 0.000 1.096 37 M CB 0.056 32.510 32.600 -0.242 0.000 1.408 37 M HN 0.393 nan 8.290 nan 0.000 0.463 38 E N -0.575 119.541 120.200 -0.141 0.000 2.498 38 E HA 0.082 4.432 4.350 -0.000 0.000 0.203 38 E C -0.151 176.401 176.600 -0.080 0.000 1.013 38 E CA -0.234 56.109 56.400 -0.096 0.000 0.927 38 E CB 0.792 30.452 29.700 -0.067 0.000 1.012 38 E HN 0.330 nan 8.360 nan 0.000 0.482 39 V N -2.596 117.254 119.914 -0.106 0.000 3.019 39 V HA 0.487 4.607 4.120 -0.000 0.000 0.317 39 V C 0.215 176.239 176.094 -0.117 0.000 1.094 39 V CA -1.137 61.117 62.300 -0.077 0.000 1.000 39 V CB 1.865 33.674 31.823 -0.024 0.000 1.060 39 V HN -0.121 nan 8.190 nan 0.000 0.443 40 S N 1.054 116.703 115.700 -0.086 0.000 2.549 40 S HA 0.102 4.572 4.470 -0.000 0.000 0.286 40 S C 1.328 175.829 174.600 -0.165 0.000 1.314 40 S CA 0.298 58.426 58.200 -0.119 0.000 1.062 40 S CB -0.032 63.083 63.200 -0.142 0.000 0.865 40 S HN 1.200 nan 8.310 nan 0.000 0.498 41 H N 4.403 123.311 119.070 -0.270 0.000 2.518 41 H HA 0.092 4.648 4.556 -0.000 0.000 0.289 41 H C 0.894 176.239 175.328 0.028 0.000 1.051 41 H CA 0.630 56.500 56.048 -0.296 0.000 1.280 41 H CB -0.015 29.572 29.762 -0.292 0.000 1.380 41 H HN 0.396 nan 8.280 nan 0.000 0.566 42 R N 1.934 122.209 120.500 -0.374 0.000 2.388 42 R HA 0.116 4.455 4.340 -0.000 0.000 0.247 42 R C 0.423 176.674 176.300 -0.081 0.000 0.931 42 R CA 0.236 56.209 56.100 -0.211 0.000 1.082 42 R CB -0.045 30.071 30.300 -0.306 0.000 1.135 42 R HN 0.446 nan 8.270 nan 0.000 0.525 43 S N -0.411 115.273 115.700 -0.025 0.000 2.592 43 S HA 0.193 4.663 4.470 -0.000 0.000 0.271 43 S C 1.059 175.683 174.600 0.040 0.000 1.326 43 S CA -0.570 57.641 58.200 0.017 0.000 1.024 43 S CB 1.837 65.067 63.200 0.050 0.000 0.921 43 S HN -0.001 nan 8.310 nan 0.000 0.527 44 K N 1.123 121.539 120.400 0.026 0.000 2.103 44 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 44 K C 1.944 178.562 176.600 0.029 0.000 1.048 44 K CA 1.931 58.230 56.287 0.020 0.000 0.930 44 K CB -0.226 32.283 32.500 0.014 0.000 0.716 44 K HN 0.669 nan 8.250 nan 0.000 0.444 45 E N 0.128 120.363 120.200 0.059 0.000 2.051 45 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 45 E C 1.682 178.379 176.600 0.163 0.000 0.991 45 E CA 1.109 57.552 56.400 0.070 0.000 0.799 45 E CB -0.278 29.474 29.700 0.087 0.000 0.748 45 E HN 0.229 nan 8.360 nan 0.000 0.449 46 F N 0.503 120.463 119.950 0.016 0.000 2.259 46 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 46 F C 1.921 177.606 175.800 -0.190 0.000 1.088 46 F CA 1.018 58.946 58.000 -0.120 0.000 1.358 46 F CB 0.056 38.944 39.000 -0.186 0.000 1.040 46 F HN -0.036 nan 8.300 nan 0.000 0.505 47 M N -0.194 119.351 119.600 -0.092 0.000 2.213 47 M HA -0.234 4.246 4.480 -0.000 0.000 0.263 47 M C 2.249 178.420 176.300 -0.214 0.000 1.062 47 M CA 1.478 56.680 55.300 -0.164 0.000 1.105 47 M CB -1.192 31.384 32.600 -0.040 0.000 1.385 47 M HN 0.363 nan 8.290 nan 0.000 0.417 48 Q N 0.495 120.208 119.800 -0.145 0.000 2.046 48 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 48 Q C 2.003 177.906 176.000 -0.161 0.000 0.975 48 Q CA 1.576 57.321 55.803 -0.096 0.000 0.836 48 Q CB 0.082 28.809 28.738 -0.017 0.000 0.896 48 Q HN 0.294 nan 8.270 nan 0.000 0.428 49 V N 1.423 121.175 119.914 -0.271 0.000 2.252 49 V HA -0.350 3.770 4.120 -0.000 0.000 0.249 49 V C 2.469 178.211 176.094 -0.586 0.000 1.056 49 V CA 2.086 64.142 62.300 -0.407 0.000 1.022 49 V CB -1.246 30.168 31.823 -0.682 0.000 0.641 49 V HN 0.567 nan 8.190 nan 0.000 0.445 50 A N -0.650 121.602 122.820 -0.948 0.000 1.883 50 A HA -0.276 4.043 4.320 -0.000 0.000 0.217 50 A C 2.174 179.655 177.584 -0.173 0.000 1.186 50 A CA 2.123 53.633 52.037 -0.879 0.000 0.624 50 A CB -0.534 17.861 19.000 -1.008 0.000 0.822 50 A HN 0.644 nan 8.150 nan 0.000 0.444 51 E N -0.530 119.592 120.200 -0.129 0.000 2.072 51 E HA -0.158 4.191 4.350 -0.000 0.000 0.191 51 E C 2.086 178.718 176.600 0.053 0.000 0.985 51 E CA 1.203 57.611 56.400 0.013 0.000 0.801 51 E CB -0.113 29.586 29.700 -0.002 0.000 0.750 51 E HN 0.716 nan 8.360 nan 0.000 0.452 52 E N 0.371 120.582 120.200 0.019 0.000 2.047 52 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 52 E C 2.320 179.003 176.600 0.138 0.000 0.987 52 E CA 1.339 57.776 56.400 0.062 0.000 0.799 52 E CB -0.046 29.681 29.700 0.047 0.000 0.752 52 E HN 0.197 nan 8.360 nan 0.000 0.449 53 S N 1.282 117.089 115.700 0.177 0.000 2.365 53 S HA -0.299 4.171 4.470 -0.000 0.000 0.225 53 S C 2.086 176.939 174.600 0.422 0.000 1.039 53 S CA 1.691 60.132 58.200 0.402 0.000 1.033 53 S CB -0.446 63.023 63.200 0.447 0.000 0.887 53 S HN 0.328 nan 8.310 nan 0.000 0.447 54 E N 1.761 122.199 120.200 0.397 0.000 2.051 54 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 54 E C 2.238 178.927 176.600 0.147 0.000 0.991 54 E CA 1.336 57.950 56.400 0.356 0.000 0.799 54 E CB -0.252 29.671 29.700 0.371 0.000 0.748 54 E HN 0.669 nan 8.360 nan 0.000 0.449 55 K N 0.212 120.684 120.400 0.119 0.000 2.032 55 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 55 K C 1.683 178.293 176.600 0.016 0.000 1.048 55 K CA 1.935 58.256 56.287 0.056 0.000 0.927 55 K CB -0.062 32.470 32.500 0.054 0.000 0.712 55 K HN 0.144 nan 8.250 nan 0.000 0.441 56 D N 0.917 121.342 120.400 0.041 0.000 2.144 56 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 56 D C 1.901 178.096 176.300 -0.176 0.000 0.984 56 D CA 0.645 54.640 54.000 -0.007 0.000 0.834 56 D CB -0.151 40.710 40.800 0.102 0.000 0.955 56 D HN 0.145 nan 8.370 nan 0.000 0.465 57 L N 1.341 122.374 121.223 -0.315 0.000 2.042 57 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 57 L C 2.237 178.940 176.870 -0.278 0.000 1.076 57 L CA 1.617 56.154 54.840 -0.505 0.000 0.749 57 L CB -0.392 41.358 42.059 -0.515 0.000 0.893 57 L HN -0.123 nan 8.230 nan 0.000 0.432 58 R N -0.598 119.804 120.500 -0.163 0.000 2.081 58 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 58 R C 1.862 178.092 176.300 -0.115 0.000 1.131 58 R CA 1.530 57.557 56.100 -0.122 0.000 0.960 58 R CB -0.420 29.845 30.300 -0.060 0.000 0.856 58 R HN 0.448 nan 8.270 nan 0.000 0.436 59 D N 0.564 120.906 120.400 -0.097 0.000 2.144 59 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 59 D C 1.989 178.229 176.300 -0.100 0.000 0.978 59 D CA 0.921 54.874 54.000 -0.080 0.000 0.833 59 D CB -0.082 40.687 40.800 -0.052 0.000 0.961 59 D HN 0.173 nan 8.370 nan 0.000 0.470 60 L N 0.004 121.146 121.223 -0.136 0.000 2.027 60 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 60 L C 2.288 179.073 176.870 -0.142 0.000 1.074 60 L CA 0.782 55.541 54.840 -0.134 0.000 0.745 60 L CB -0.125 41.832 42.059 -0.171 0.000 0.898 60 L HN -0.009 nan 8.230 nan 0.000 0.433 61 L N -0.845 120.267 121.223 -0.185 0.000 2.567 61 L HA 0.087 4.427 4.340 -0.000 0.000 0.225 61 L C 0.181 176.946 176.870 -0.175 0.000 1.119 61 L CA -0.003 54.718 54.840 -0.199 0.000 0.871 61 L CB -0.076 41.823 42.059 -0.267 0.000 1.036 61 L HN 0.355 nan 8.230 nan 0.000 0.459 62 N N 0.393 119.007 118.700 -0.143 0.000 2.746 62 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 62 N C -0.405 175.017 175.510 -0.147 0.000 1.055 62 N CA 0.139 53.118 53.050 -0.118 0.000 0.699 62 N CB -1.382 37.048 38.487 -0.095 0.000 0.919 62 N HN 0.005 nan 8.380 nan 0.000 0.548 63 V N 1.064 120.881 119.914 -0.162 0.000 2.572 63 V HA 0.194 4.314 4.120 -0.000 0.000 0.291 63 V C -1.332 174.704 176.094 -0.097 0.000 1.039 63 V CA -0.688 61.494 62.300 -0.196 0.000 1.055 63 V CB 0.770 32.483 31.823 -0.183 0.000 0.969 63 V HN 0.153 nan 8.190 nan 0.000 0.482 64 P HA 0.283 nan 4.420 nan 0.000 0.274 64 P C 0.621 177.997 177.300 0.128 0.000 1.246 64 P CA -0.338 62.794 63.100 0.054 0.000 0.795 64 P CB 0.756 32.526 31.700 0.118 0.000 1.006 65 A N 1.986 124.860 122.820 0.090 0.000 1.978 65 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 65 A C 1.504 179.135 177.584 0.078 0.000 1.170 65 A CA 1.807 53.886 52.037 0.069 0.000 0.636 65 A CB -1.260 17.765 19.000 0.043 0.000 0.810 65 A HN 0.736 nan 8.150 nan 0.000 0.448 66 N N -1.429 117.330 118.700 0.097 0.000 2.383 66 N HA 0.030 4.770 4.740 -0.000 0.000 0.192 66 N C -0.784 174.660 175.510 -0.110 0.000 1.141 66 N CA -0.028 53.020 53.050 -0.003 0.000 0.851 66 N CB -0.291 38.166 38.487 -0.050 0.000 0.976 66 N HN 0.430 nan 8.380 nan 0.000 0.465 67 Y N 0.941 121.224 120.300 -0.028 0.000 2.387 67 Y HA 0.381 4.931 4.550 -0.000 0.000 0.336 67 Y C 0.552 176.418 175.900 -0.056 0.000 1.067 67 Y CA -0.898 57.173 58.100 -0.048 0.000 1.114 67 Y CB 1.247 39.666 38.460 -0.069 0.000 1.208 67 Y HN -0.262 nan 8.280 nan 0.000 0.458 68 K N 2.338 122.766 120.400 0.047 0.000 2.174 68 K HA 0.455 4.774 4.320 -0.000 0.000 0.275 68 K C -0.928 175.646 176.600 -0.044 0.000 1.015 68 K CA -0.596 55.691 56.287 0.000 0.000 0.933 68 K CB 1.605 34.086 32.500 -0.031 0.000 1.025 68 K HN 0.386 nan 8.250 nan 0.000 0.463 69 V N 4.967 124.838 119.914 -0.071 0.000 2.347 69 V HA 0.391 4.511 4.120 -0.000 0.000 0.280 69 V C -0.037 175.890 176.094 -0.279 0.000 1.021 69 V CA -0.790 61.390 62.300 -0.201 0.000 0.847 69 V CB 0.802 32.524 31.823 -0.169 0.000 0.990 69 V HN 0.486 nan 8.190 nan 0.000 0.444 70 L N 5.072 126.037 121.223 -0.431 0.000 2.365 70 L HA 0.655 4.995 4.340 -0.000 0.000 0.273 70 L C -1.144 175.321 176.870 -0.675 0.000 1.000 70 L CA -0.430 54.187 54.840 -0.372 0.000 0.819 70 L CB 2.057 43.992 42.059 -0.206 0.000 1.284 70 L HN 0.431 nan 8.230 nan 0.000 0.418 71 F N 1.256 121.005 119.950 -0.335 0.000 2.388 71 F HA 0.523 5.050 4.527 -0.000 0.000 0.358 71 F C 0.114 175.696 175.800 -0.364 0.000 1.122 71 F CA -0.542 57.150 58.000 -0.514 0.000 1.056 71 F CB 1.442 39.736 39.000 -1.177 0.000 1.155 71 F HN 0.354 nan 8.300 nan 0.000 0.461 72 C N 2.055 121.270 119.300 -0.141 0.000 2.779 72 C HA 0.469 4.929 4.460 -0.000 0.000 0.314 72 C C 0.016 174.935 174.990 -0.120 0.000 1.231 72 C CA -0.928 58.034 59.018 -0.093 0.000 1.652 72 C CB 1.559 29.281 27.740 -0.029 0.000 2.198 72 C HN 0.678 nan 8.230 nan 0.000 0.483 73 H N 0.028 119.110 119.070 0.020 0.000 2.607 73 H HA 0.444 5.000 4.556 -0.000 0.000 0.367 73 H C 1.092 176.413 175.328 -0.012 0.000 1.181 73 H CA 1.509 57.564 56.048 0.012 0.000 1.402 73 H CB 0.828 30.607 29.762 0.027 0.000 1.474 73 H HN 1.117 nan 8.280 nan 0.000 0.596 74 G N 0.242 109.114 108.800 0.121 0.000 2.296 74 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.188 74 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.188 74 G C 0.592 175.477 174.900 -0.025 0.000 1.000 74 G CA 0.160 45.286 45.100 0.043 0.000 0.672 74 G HN 1.244 nan 8.290 nan 0.000 0.483 75 G N -0.486 108.288 108.800 -0.044 0.000 2.855 75 G HA2 0.292 4.252 3.960 -0.000 0.000 0.352 75 G HA3 0.292 4.252 3.960 -0.000 0.000 0.352 75 G C 1.099 175.893 174.900 -0.177 0.000 1.415 75 G CA 1.101 46.142 45.100 -0.098 0.000 0.871 75 G HN 1.855 nan 8.290 nan 0.000 0.543 76 A N -0.530 122.143 122.820 -0.245 0.000 2.066 76 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 76 A C 2.373 179.491 177.584 -0.777 0.000 1.157 76 A CA 1.964 53.790 52.037 -0.353 0.000 0.670 76 A CB -0.238 18.629 19.000 -0.223 0.000 0.804 76 A HN 0.702 nan 8.150 nan 0.000 0.453 77 R N -0.503 119.584 120.500 -0.688 0.000 2.148 77 R HA -0.057 4.283 4.340 -0.000 0.000 0.227 77 R C 2.287 178.403 176.300 -0.305 0.000 1.103 77 R CA 0.991 56.684 56.100 -0.678 0.000 0.983 77 R CB -0.303 29.875 30.300 -0.203 0.000 0.874 77 R HN 0.520 nan 8.270 nan 0.000 0.451 78 A N 0.637 123.326 122.820 -0.219 0.000 1.968 78 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 78 A C 1.871 179.375 177.584 -0.133 0.000 1.169 78 A CA 0.848 52.821 52.037 -0.107 0.000 0.638 78 A CB -0.042 18.918 19.000 -0.066 0.000 0.812 78 A HN 0.147 nan 8.150 nan 0.000 0.446 79 Q N -0.901 118.735 119.800 -0.274 0.000 2.297 79 Q HA -0.046 4.293 4.340 -0.000 0.000 0.204 79 Q C 1.438 177.363 176.000 -0.125 0.000 0.962 79 Q CA 0.686 56.281 55.803 -0.346 0.000 0.879 79 Q CB -0.446 27.780 28.738 -0.854 0.000 0.947 79 Q HN 0.693 nan 8.270 nan 0.000 0.462 80 F N 0.376 120.249 119.950 -0.127 0.000 2.333 80 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 80 F C 2.110 177.929 175.800 0.032 0.000 1.083 80 F CA 0.686 58.688 58.000 0.002 0.000 1.395 80 F CB -0.796 38.245 39.000 0.069 0.000 1.056 80 F HN 0.056 nan 8.300 nan 0.000 0.529 81 A N -0.793 122.133 122.820 0.177 0.000 1.993 81 A HA 0.413 4.733 4.320 -0.000 0.000 0.207 81 A C 2.295 179.770 177.584 -0.182 0.000 1.224 81 A CA 0.705 52.794 52.037 0.086 0.000 0.749 81 A CB -0.854 18.254 19.000 0.180 0.000 0.884 81 A HN 0.157 nan 8.150 nan 0.000 0.467 82 A N -0.135 122.600 122.820 -0.143 0.000 1.969 82 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 82 A C 2.106 179.531 177.584 -0.265 0.000 1.169 82 A CA 1.622 53.512 52.037 -0.246 0.000 0.635 82 A CB -0.702 18.186 19.000 -0.186 0.000 0.810 82 A HN 0.303 nan 8.150 nan 0.000 0.445 83 V N 1.005 120.855 119.914 -0.107 0.000 2.237 83 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 83 V C -0.135 175.911 176.094 -0.080 0.000 1.046 83 V CA 2.447 64.712 62.300 -0.058 0.000 1.007 83 V CB -1.535 30.303 31.823 0.026 0.000 0.638 83 V HN 0.389 nan 8.190 nan 0.000 0.445 84 P HA -0.142 nan 4.420 nan 0.000 0.215 84 P C 1.990 179.243 177.300 -0.078 0.000 1.153 84 P CA 1.563 64.737 63.100 0.122 0.000 0.853 84 P CB -0.069 31.720 31.700 0.147 0.000 0.788 85 L N -0.713 120.303 121.223 -0.345 0.000 2.093 85 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 85 L C 2.421 179.176 176.870 -0.191 0.000 1.085 85 L CA 1.267 55.905 54.840 -0.337 0.000 0.755 85 L CB -0.803 40.959 42.059 -0.495 0.000 0.904 85 L HN -0.007 nan 8.230 nan 0.000 0.435 86 N N -0.196 118.338 118.700 -0.275 0.000 2.216 86 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 86 N C 1.626 177.088 175.510 -0.079 0.000 1.017 86 N CA 1.228 54.109 53.050 -0.280 0.000 0.861 86 N CB 0.221 38.320 38.487 -0.647 0.000 0.986 86 N HN 0.349 nan 8.380 nan 0.000 0.428 87 L N -0.067 121.157 121.223 0.001 0.000 2.817 87 L HA 0.238 4.578 4.340 -0.000 0.000 0.248 87 L C 1.830 178.837 176.870 0.228 0.000 1.133 87 L CA 0.012 54.920 54.840 0.113 0.000 0.935 87 L CB 0.289 42.380 42.059 0.054 0.000 1.266 87 L HN -0.016 nan 8.230 nan 0.000 0.535 88 L N 0.185 121.534 121.223 0.211 0.000 2.093 88 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 88 L C 1.770 178.714 176.870 0.122 0.000 1.085 88 L CA 1.113 56.069 54.840 0.194 0.000 0.755 88 L CB -0.757 41.397 42.059 0.158 0.000 0.904 88 L HN 0.470 nan 8.230 nan 0.000 0.435 89 G N 1.398 110.257 108.800 0.098 0.000 2.596 89 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.295 89 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.295 89 G C 0.130 175.069 174.900 0.066 0.000 1.240 89 G CA 0.603 45.744 45.100 0.067 0.000 0.985 89 G HN 0.573 nan 8.290 nan 0.000 0.555 90 D N 0.590 121.018 120.400 0.047 0.000 2.336 90 D HA 0.291 4.931 4.640 -0.000 0.000 0.228 90 D C 0.996 177.319 176.300 0.038 0.000 1.120 90 D CA -0.088 53.937 54.000 0.041 0.000 0.839 90 D CB 0.172 40.988 40.800 0.026 0.000 0.932 90 D HN 0.383 nan 8.370 nan 0.000 0.509 91 R N 0.766 121.291 120.500 0.041 0.000 2.410 91 R HA 0.208 4.548 4.340 -0.000 0.000 0.288 91 R C 0.731 177.046 176.300 0.027 0.000 1.051 91 R CA -0.247 55.868 56.100 0.025 0.000 1.021 91 R CB 0.583 30.892 30.300 0.015 0.000 1.032 91 R HN 0.183 nan 8.270 nan 0.000 0.481 92 N N 0.135 118.842 118.700 0.011 0.000 2.416 92 N HA -0.080 4.660 4.740 -0.000 0.000 0.177 92 N C -0.446 175.063 175.510 -0.002 0.000 1.036 92 N CA 0.396 53.452 53.050 0.011 0.000 0.901 92 N CB 0.522 39.010 38.487 0.003 0.000 0.976 92 N HN 0.615 nan 8.380 nan 0.000 0.444 93 S N -0.903 114.782 115.700 -0.026 0.000 2.618 93 S HA 0.826 5.296 4.470 -0.000 0.000 0.277 93 S C -1.140 173.381 174.600 -0.132 0.000 1.138 93 S CA -0.794 57.377 58.200 -0.049 0.000 0.844 93 S CB 2.467 65.641 63.200 -0.043 0.000 1.127 93 S HN 0.181 nan 8.310 nan 0.000 0.474 94 A N 0.768 123.498 122.820 -0.151 0.000 2.572 94 A HA 0.728 5.048 4.320 -0.000 0.000 0.295 94 A C -1.791 175.688 177.584 -0.175 0.000 1.072 94 A CA -0.793 50.999 52.037 -0.408 0.000 0.691 94 A CB 1.174 19.530 19.000 -1.073 0.000 1.291 94 A HN 0.746 nan 8.150 nan 0.000 0.404 95 D N 0.947 121.202 120.400 -0.242 0.000 2.312 95 D HA 0.444 5.084 4.640 -0.000 0.000 0.252 95 D C -1.363 174.842 176.300 -0.160 0.000 1.150 95 D CA 1.112 55.045 54.000 -0.112 0.000 0.870 95 D CB 0.425 41.153 40.800 -0.119 0.000 1.153 95 D HN 0.338 nan 8.370 nan 0.000 0.457 96 Y N 1.138 121.418 120.300 -0.034 0.000 2.388 96 Y HA 0.260 4.810 4.550 -0.000 0.000 0.328 96 Y C 0.081 175.950 175.900 -0.053 0.000 0.963 96 Y CA -0.849 57.259 58.100 0.013 0.000 1.240 96 Y CB 1.237 39.666 38.460 -0.050 0.000 1.118 96 Y HN 0.052 nan 8.280 nan 0.000 0.484 97 V N 3.826 123.744 119.914 0.007 0.000 2.508 97 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 97 V C -0.225 175.837 176.094 -0.054 0.000 1.041 97 V CA -0.019 62.163 62.300 -0.196 0.000 1.016 97 V CB 0.986 32.536 31.823 -0.455 0.000 0.984 97 V HN 0.618 nan 8.190 nan 0.000 0.478 98 D N 4.026 124.366 120.400 -0.100 0.000 2.462 98 D HA 0.521 5.161 4.640 -0.000 0.000 0.245 98 D C 0.443 176.728 176.300 -0.025 0.000 1.122 98 D CA -0.270 53.730 54.000 -0.000 0.000 0.864 98 D CB 1.506 42.323 40.800 0.028 0.000 1.098 98 D HN 0.600 nan 8.370 nan 0.000 0.541 99 G N 1.749 110.562 108.800 0.021 0.000 4.238 99 G HA2 0.577 4.536 3.960 -0.000 0.000 0.292 99 G HA3 0.577 4.536 3.960 -0.000 0.000 0.292 99 G C 0.420 175.356 174.900 0.060 0.000 1.036 99 G CA 0.039 45.154 45.100 0.024 0.000 0.812 99 G HN 0.785 nan 8.290 nan 0.000 0.489 100 G N -0.927 107.919 108.800 0.077 0.000 2.345 100 G HA2 0.179 4.139 3.960 -0.000 0.000 0.285 100 G HA3 0.179 4.139 3.960 -0.000 0.000 0.285 100 G C 0.108 175.065 174.900 0.096 0.000 1.297 100 G CA -0.063 45.086 45.100 0.081 0.000 0.875 100 G HN 0.099 nan 8.290 nan 0.000 0.506 101 Y N -0.263 119.983 120.300 -0.089 0.000 2.128 101 Y HA -0.040 4.510 4.550 -0.000 0.000 0.284 101 Y C 2.481 178.293 175.900 -0.146 0.000 1.154 101 Y CA 2.745 60.700 58.100 -0.242 0.000 1.149 101 Y CB -0.093 38.045 38.460 -0.536 0.000 0.976 101 Y HN 0.531 nan 8.280 nan 0.000 0.505 102 W N -0.870 120.625 121.300 0.325 0.000 2.494 102 W HA 0.053 4.713 4.660 -0.000 0.000 0.286 102 W C 2.614 179.236 176.519 0.171 0.000 1.218 102 W CA 0.857 58.402 57.345 0.333 0.000 1.313 102 W CB -0.454 29.234 29.460 0.381 0.000 1.105 102 W HN 0.061 nan 8.180 nan 0.000 0.561 103 A N -0.569 122.476 122.820 0.375 0.000 1.978 103 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 103 A C 1.803 179.432 177.584 0.075 0.000 1.170 103 A CA 1.813 53.994 52.037 0.240 0.000 0.636 103 A CB -1.170 17.962 19.000 0.220 0.000 0.810 103 A HN 0.452 nan 8.150 nan 0.000 0.448 104 H N 0.171 119.199 119.070 -0.070 0.000 2.326 104 H HA -0.075 4.481 4.556 -0.000 0.000 0.301 104 H C 2.239 177.407 175.328 -0.266 0.000 1.081 104 H CA 1.741 57.679 56.048 -0.183 0.000 1.334 104 H CB 0.137 29.752 29.762 -0.245 0.000 1.385 104 H HN 0.503 nan 8.280 nan 0.000 0.504 105 S N 0.637 116.206 115.700 -0.219 0.000 2.400 105 S HA -0.148 4.322 4.470 -0.000 0.000 0.232 105 S C 2.400 176.705 174.600 -0.492 0.000 1.025 105 S CA 0.838 58.912 58.200 -0.209 0.000 0.993 105 S CB -0.314 62.966 63.200 0.132 0.000 0.808 105 S HN 0.560 nan 8.310 nan 0.000 0.478 106 A N 1.589 123.872 122.820 -0.895 0.000 1.933 106 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 106 A C 2.070 179.244 177.584 -0.683 0.000 1.175 106 A CA 1.100 52.416 52.037 -1.201 0.000 0.628 106 A CB -0.703 17.757 19.000 -0.901 0.000 0.814 106 A HN 0.479 nan 8.150 nan 0.000 0.444 107 I N -0.505 119.682 120.570 -0.637 0.000 2.208 107 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 107 I C 2.415 178.198 176.117 -0.557 0.000 1.097 107 I CA 1.852 62.702 61.300 -0.750 0.000 1.363 107 I CB -0.202 37.425 38.000 -0.621 0.000 1.051 107 I HN 0.303 nan 8.210 nan 0.000 0.413 108 K N 0.162 120.298 120.400 -0.440 0.000 2.062 108 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 108 K C 2.033 178.512 176.600 -0.203 0.000 1.051 108 K CA 1.089 57.201 56.287 -0.291 0.000 0.941 108 K CB -0.144 32.229 32.500 -0.211 0.000 0.719 108 K HN 0.069 nan 8.250 nan 0.000 0.440 109 E N 1.292 121.405 120.200 -0.145 0.000 2.058 109 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 109 E C 1.801 178.371 176.600 -0.051 0.000 0.997 109 E CA 1.571 57.952 56.400 -0.030 0.000 0.801 109 E CB -0.225 29.566 29.700 0.152 0.000 0.746 109 E HN 0.305 nan 8.360 nan 0.000 0.450 110 A N 0.116 122.849 122.820 -0.144 0.000 2.070 110 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 110 A C 2.026 179.529 177.584 -0.134 0.000 1.159 110 A CA 1.509 53.497 52.037 -0.083 0.000 0.656 110 A CB -0.515 18.254 19.000 -0.386 0.000 0.800 110 A HN 0.343 nan 8.150 nan 0.000 0.453 111 Q N -0.334 119.330 119.800 -0.227 0.000 2.226 111 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 111 Q C 1.811 177.669 176.000 -0.237 0.000 0.975 111 Q CA 1.566 57.243 55.803 -0.209 0.000 0.866 111 Q CB -0.145 28.470 28.738 -0.204 0.000 0.915 111 Q HN 0.670 nan 8.270 nan 0.000 0.440 112 K N -0.701 119.479 120.400 -0.366 0.000 2.209 112 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 112 K C 0.937 177.130 176.600 -0.679 0.000 1.048 112 K CA 1.235 57.150 56.287 -0.621 0.000 0.940 112 K CB 0.121 32.017 32.500 -1.007 0.000 0.729 112 K HN 0.285 nan 8.250 nan 0.000 0.451 113 Y N -1.341 118.914 120.300 -0.075 0.000 2.483 113 Y HA 0.140 4.690 4.550 -0.000 0.000 0.258 113 Y C 1.044 176.916 175.900 -0.047 0.000 1.083 113 Y CA -0.851 57.208 58.100 -0.068 0.000 1.283 113 Y CB 0.438 38.871 38.460 -0.046 0.000 1.178 113 Y HN 0.175 nan 8.280 nan 0.000 0.515 114 C N -1.880 117.457 119.300 0.062 0.000 3.293 114 C HA 0.778 5.238 4.460 -0.000 0.000 0.362 114 C C -0.341 174.627 174.990 -0.035 0.000 1.539 114 C CA -0.588 58.447 59.018 0.029 0.000 1.201 114 C CB 1.340 29.118 27.740 0.064 0.000 1.770 114 C HN 0.218 nan 8.230 nan 0.000 0.440 115 T N -0.019 114.513 114.554 -0.036 0.000 3.053 115 T HA 0.617 4.967 4.350 -0.000 0.000 0.363 115 T C -2.483 172.182 174.700 -0.059 0.000 1.239 115 T CA -0.777 61.287 62.100 -0.060 0.000 1.071 115 T CB 0.425 69.265 68.868 -0.046 0.000 1.089 115 T HN 0.844 nan 8.240 nan 0.000 0.527 116 P HA 0.182 nan 4.420 nan 0.000 0.274 116 P C -0.608 176.672 177.300 -0.032 0.000 1.231 116 P CA -0.495 62.568 63.100 -0.062 0.000 0.790 116 P CB 0.871 32.406 31.700 -0.276 0.000 0.951 117 N N 1.289 120.006 118.700 0.028 0.000 2.462 117 N HA 0.243 4.983 4.740 -0.000 0.000 0.242 117 N C -0.921 174.602 175.510 0.023 0.000 1.010 117 N CA -0.579 52.473 53.050 0.003 0.000 0.939 117 N CB 0.527 39.006 38.487 -0.013 0.000 1.127 117 N HN 0.064 nan 8.380 nan 0.000 0.509 118 V N 5.832 125.739 119.914 -0.011 0.000 2.353 118 V HA 0.276 4.396 4.120 -0.000 0.000 0.264 118 V C 0.234 176.309 176.094 -0.032 0.000 1.049 118 V CA -0.402 61.890 62.300 -0.014 0.000 0.896 118 V CB 0.488 32.286 31.823 -0.040 0.000 1.025 118 V HN 0.577 nan 8.190 nan 0.000 0.475 119 I N 4.283 124.818 120.570 -0.058 0.000 2.306 119 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 119 I C 0.129 176.163 176.117 -0.138 0.000 1.036 119 I CA -0.242 60.992 61.300 -0.110 0.000 1.221 119 I CB 1.161 39.057 38.000 -0.173 0.000 1.385 119 I HN 0.476 nan 8.210 nan 0.000 0.472 120 D N 5.969 126.317 120.400 -0.087 0.000 2.339 120 D HA 0.107 4.747 4.640 -0.000 0.000 0.256 120 D C 0.358 176.595 176.300 -0.106 0.000 1.214 120 D CA 0.242 54.199 54.000 -0.073 0.000 0.877 120 D CB 1.583 42.373 40.800 -0.017 0.000 1.111 120 D HN 0.243 nan 8.370 nan 0.000 0.478 121 V N 3.255 123.078 119.914 -0.151 0.000 3.528 121 V HA 0.037 4.157 4.120 -0.000 0.000 0.294 121 V C 0.650 176.709 176.094 -0.058 0.000 1.404 121 V CA 0.511 62.708 62.300 -0.172 0.000 1.065 121 V CB 0.166 31.713 31.823 -0.459 0.000 0.904 121 V HN 0.744 nan 8.190 nan 0.000 0.435 122 T N 0.501 115.014 114.554 -0.068 0.000 2.907 122 T HA 0.412 4.762 4.350 -0.000 0.000 0.298 122 T C 0.253 174.848 174.700 -0.175 0.000 1.017 122 T CA 0.008 62.029 62.100 -0.130 0.000 1.118 122 T CB 1.243 70.005 68.868 -0.176 0.000 0.948 122 T HN 0.433 nan 8.240 nan 0.000 0.531 123 T N -0.676 113.736 114.554 -0.237 0.000 2.950 123 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 123 T C -0.935 173.508 174.700 -0.427 0.000 1.035 123 T CA -1.019 60.966 62.100 -0.192 0.000 1.028 123 T CB 1.261 70.099 68.868 -0.049 0.000 1.109 123 T HN 0.806 nan 8.240 nan 0.000 0.514 124 H N 1.246 120.333 119.070 0.027 0.000 3.181 124 H HA 0.369 4.925 4.556 -0.000 0.000 0.331 124 H C -1.606 173.735 175.328 0.021 0.000 0.988 124 H CA -0.677 55.385 56.048 0.023 0.000 1.449 124 H CB 1.408 31.181 29.762 0.017 0.000 1.749 124 H HN 0.672 nan 8.280 nan 0.000 0.501 125 D N 1.534 122.003 120.400 0.115 0.000 2.336 125 D HA 0.224 4.864 4.640 -0.000 0.000 0.248 125 D C 1.100 177.435 176.300 0.059 0.000 1.326 125 D CA 0.418 54.463 54.000 0.075 0.000 0.973 125 D CB 0.955 41.785 40.800 0.050 0.000 1.255 125 D HN 0.957 nan 8.370 nan 0.000 0.558 126 N N 0.389 119.122 118.700 0.056 0.000 2.993 126 N HA -0.057 4.683 4.740 -0.000 0.000 0.207 126 N C 1.406 176.944 175.510 0.047 0.000 0.916 126 N CA 1.095 54.171 53.050 0.043 0.000 1.033 126 N CB -1.661 36.849 38.487 0.037 0.000 1.028 126 N HN 1.308 nan 8.380 nan 0.000 0.565 127 G N -2.196 106.642 108.800 0.062 0.000 2.195 127 G HA2 0.134 4.094 3.960 -0.000 0.000 0.224 127 G HA3 0.134 4.094 3.960 -0.000 0.000 0.224 127 G C -0.125 174.824 174.900 0.082 0.000 0.990 127 G CA 0.453 45.592 45.100 0.066 0.000 0.639 127 G HN 1.478 nan 8.290 nan 0.000 0.514 128 L N 2.665 123.933 121.223 0.076 0.000 2.265 128 L HA 0.585 4.925 4.340 -0.000 0.000 0.288 128 L C 0.749 177.655 176.870 0.060 0.000 1.058 128 L CA 0.154 55.032 54.840 0.063 0.000 0.809 128 L CB 1.347 43.432 42.059 0.043 0.000 1.179 128 L HN 0.127 nan 8.230 nan 0.000 0.429 129 T N 2.865 117.448 114.554 0.048 0.000 2.845 129 T HA 0.748 5.098 4.350 -0.000 0.000 0.288 129 T C 0.363 175.044 174.700 -0.033 0.000 0.980 129 T CA -0.308 61.784 62.100 -0.014 0.000 1.071 129 T CB 1.361 70.236 68.868 0.013 0.000 0.941 129 T HN 0.778 nan 8.240 nan 0.000 0.487 130 G N 1.424 110.173 108.800 -0.086 0.000 2.827 130 G HA2 0.725 4.685 3.960 -0.000 0.000 0.296 130 G HA3 0.725 4.685 3.960 -0.000 0.000 0.296 130 G C -1.797 173.085 174.900 -0.030 0.000 1.362 130 G CA -0.620 44.459 45.100 -0.034 0.000 0.809 130 G HN 0.591 nan 8.290 nan 0.000 0.522 131 I N 0.381 120.970 120.570 0.031 0.000 2.619 131 I HA 0.275 4.444 4.170 -0.000 0.000 0.292 131 I C -0.139 176.065 176.117 0.145 0.000 1.100 131 I CA -0.549 60.805 61.300 0.090 0.000 1.043 131 I CB 1.910 39.999 38.000 0.150 0.000 1.239 131 I HN 0.569 nan 8.210 nan 0.000 0.420 132 Q N 5.949 125.875 119.800 0.211 0.000 2.315 132 Q HA 0.094 4.434 4.340 -0.000 0.000 0.289 132 Q C -2.073 174.106 176.000 0.300 0.000 1.044 132 Q CA -1.077 54.887 55.803 0.268 0.000 0.920 132 Q CB 0.152 29.107 28.738 0.361 0.000 1.214 132 Q HN 0.273 nan 8.270 nan 0.000 0.392 133 P HA -0.102 nan 4.420 nan 0.000 0.269 133 P C 0.035 177.103 177.300 -0.388 0.000 1.209 133 P CA 0.321 63.357 63.100 -0.107 0.000 0.776 133 P CB 0.647 32.292 31.700 -0.091 0.000 0.876 134 M N 1.217 120.336 119.600 -0.801 0.000 2.202 134 M HA -0.192 4.288 4.480 -0.000 0.000 0.262 134 M C 2.029 178.022 176.300 -0.511 0.000 1.063 134 M CA 1.875 56.393 55.300 -1.304 0.000 1.097 134 M CB -0.607 31.340 32.600 -1.087 0.000 1.382 134 M HN 0.407 nan 8.290 nan 0.000 0.413 135 K N 0.684 120.898 120.400 -0.311 0.000 2.127 135 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 135 K C 1.761 178.356 176.600 -0.008 0.000 1.047 135 K CA 2.102 58.312 56.287 -0.128 0.000 0.927 135 K CB -0.187 32.247 32.500 -0.109 0.000 0.716 135 K HN 0.582 nan 8.250 nan 0.000 0.450 136 Q N -1.178 118.639 119.800 0.029 0.000 2.247 136 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 136 Q C -0.576 175.593 176.000 0.282 0.000 0.872 136 Q CA -0.410 55.472 55.803 0.132 0.000 0.951 136 Q CB 0.108 28.914 28.738 0.112 0.000 1.099 136 Q HN 0.034 nan 8.270 nan 0.000 0.501 137 W N 2.537 123.861 121.300 0.039 0.000 2.381 137 W HA 0.199 4.859 4.660 -0.000 0.000 0.321 137 W C 0.271 176.778 176.519 -0.019 0.000 1.407 137 W CA -0.996 56.351 57.345 0.003 0.000 1.274 137 W CB 0.529 29.980 29.460 -0.016 0.000 1.310 137 W HN -0.030 nan 8.180 nan 0.000 0.551 138 K N 5.644 126.135 120.400 0.151 0.000 2.155 138 K HA 0.183 4.503 4.320 -0.000 0.000 0.240 138 K C 0.199 176.811 176.600 0.021 0.000 1.193 138 K CA -0.045 56.283 56.287 0.068 0.000 1.104 138 K CB -0.333 32.189 32.500 0.036 0.000 1.558 138 K HN 0.381 nan 8.250 nan 0.000 0.313 139 L N 0.090 121.323 121.223 0.017 0.000 2.479 139 L HA 0.252 4.592 4.340 -0.000 0.000 0.249 139 L C 0.834 177.686 176.870 -0.030 0.000 1.178 139 L CA -0.326 54.490 54.840 -0.041 0.000 0.811 139 L CB 1.022 43.019 42.059 -0.103 0.000 1.187 139 L HN 0.267 nan 8.230 nan 0.000 0.480 140 S N -1.152 114.520 115.700 -0.047 0.000 2.536 140 S HA 0.253 4.723 4.470 -0.000 0.000 0.298 140 S C 0.017 174.599 174.600 -0.030 0.000 1.083 140 S CA -0.698 57.482 58.200 -0.033 0.000 0.995 140 S CB 1.450 64.626 63.200 -0.039 0.000 1.058 140 S HN 0.564 nan 8.310 nan 0.000 0.488 141 D N 2.082 122.472 120.400 -0.016 0.000 2.120 141 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 141 D C 1.025 177.318 176.300 -0.011 0.000 0.972 141 D CA 1.002 54.997 54.000 -0.008 0.000 0.837 141 D CB -0.146 40.654 40.800 -0.001 0.000 0.989 141 D HN 0.502 nan 8.370 nan 0.000 0.469 142 N N 0.945 119.636 118.700 -0.015 0.000 2.571 142 N HA 0.033 4.773 4.740 -0.000 0.000 0.189 142 N C 0.253 175.743 175.510 -0.033 0.000 1.154 142 N CA 0.073 53.112 53.050 -0.017 0.000 0.907 142 N CB 0.007 38.485 38.487 -0.015 0.000 0.977 142 N HN 0.052 nan 8.380 nan 0.000 0.449 143 A N 0.367 123.156 122.820 -0.051 0.000 2.440 143 A HA 0.505 4.825 4.320 -0.000 0.000 0.251 143 A C 1.429 178.955 177.584 -0.097 0.000 1.089 143 A CA 0.074 52.051 52.037 -0.101 0.000 0.779 143 A CB 0.430 19.354 19.000 -0.128 0.000 1.022 143 A HN 0.236 nan 8.150 nan 0.000 0.492 144 A N 2.116 124.836 122.820 -0.167 0.000 1.972 144 A HA 0.322 4.642 4.320 -0.000 0.000 0.219 144 A C 0.597 178.228 177.584 0.078 0.000 1.169 144 A CA 2.017 54.018 52.037 -0.059 0.000 0.635 144 A CB -0.512 18.453 19.000 -0.059 0.000 0.810 144 A HN 1.773 nan 8.150 nan 0.000 0.446 145 Y N -5.869 114.448 120.300 0.028 0.000 2.852 145 Y HA 0.543 5.092 4.550 -0.000 0.000 0.350 145 Y C -1.208 174.677 175.900 -0.025 0.000 1.272 145 Y CA -1.911 56.204 58.100 0.024 0.000 1.086 145 Y CB 0.480 38.978 38.460 0.063 0.000 1.408 145 Y HN -0.074 nan 8.280 nan 0.000 0.447 146 V N 2.257 122.320 119.914 0.248 0.000 2.459 146 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 146 V C -0.795 175.460 176.094 0.268 0.000 1.029 146 V CA -0.432 61.937 62.300 0.116 0.000 0.874 146 V CB 1.233 33.038 31.823 -0.029 0.000 0.985 146 V HN 0.945 nan 8.190 nan 0.000 0.438 147 H N 4.993 124.069 119.070 0.010 0.000 2.589 147 H HA 0.617 5.173 4.556 -0.000 0.000 0.351 147 H C -1.749 173.660 175.328 0.136 0.000 1.074 147 H CA -0.410 55.656 56.048 0.030 0.000 1.203 147 H CB 1.984 31.554 29.762 -0.321 0.000 1.558 147 H HN 0.755 nan 8.280 nan 0.000 0.522 148 Y N 2.060 122.163 120.300 -0.329 0.000 2.655 148 Y HA 0.452 5.002 4.550 -0.000 0.000 0.336 148 Y C -1.676 174.089 175.900 -0.226 0.000 1.154 148 Y CA -1.565 56.461 58.100 -0.123 0.000 1.055 148 Y CB 0.802 39.292 38.460 0.050 0.000 1.295 148 Y HN 0.586 nan 8.280 nan 0.000 0.465 149 C N 5.544 124.733 119.300 -0.185 0.000 2.258 149 C HA 0.520 4.980 4.460 -0.000 0.000 0.321 149 C C -1.472 173.347 174.990 -0.286 0.000 1.168 149 C CA -1.990 56.849 59.018 -0.298 0.000 1.531 149 C CB 0.153 27.913 27.740 0.034 0.000 2.095 149 C HN 0.737 nan 8.230 nan 0.000 0.449 150 P HA -0.008 nan 4.420 nan 0.000 0.237 150 P C -0.288 176.887 177.300 -0.209 0.000 1.178 150 P CA 0.966 63.858 63.100 -0.346 0.000 0.766 150 P CB -0.060 31.191 31.700 -0.748 0.000 0.876 151 N N 0.141 118.732 118.700 -0.182 0.000 2.549 151 N HA 0.096 4.835 4.740 -0.000 0.000 0.290 151 N C -1.030 174.530 175.510 0.082 0.000 1.122 151 N CA -0.289 52.746 53.050 -0.025 0.000 0.885 151 N CB 1.172 39.649 38.487 -0.017 0.000 1.455 151 N HN -0.292 nan 8.380 nan 0.000 0.521 152 E N 2.362 122.651 120.200 0.148 0.000 2.089 152 E HA 0.143 4.493 4.350 -0.000 0.000 0.284 152 E C 0.519 177.276 176.600 0.263 0.000 1.023 152 E CA -0.075 56.481 56.400 0.259 0.000 0.819 152 E CB 1.133 30.960 29.700 0.212 0.000 1.076 152 E HN 0.643 nan 8.360 nan 0.000 0.396 153 T N 2.715 117.495 114.554 0.376 0.000 2.788 153 T HA -0.092 4.257 4.350 -0.000 0.000 0.268 153 T C 1.877 176.709 174.700 0.219 0.000 1.044 153 T CA 0.956 63.242 62.100 0.311 0.000 1.139 153 T CB 0.090 69.195 68.868 0.396 0.000 0.867 153 T HN 0.398 nan 8.240 nan 0.000 0.454 154 I N 0.963 121.635 120.570 0.171 0.000 2.480 154 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 154 I C 2.056 178.168 176.117 -0.008 0.000 1.124 154 I CA 0.993 62.288 61.300 -0.009 0.000 1.444 154 I CB -0.188 37.641 38.000 -0.285 0.000 1.098 154 I HN 0.132 nan 8.210 nan 0.000 0.428 155 D N 0.812 121.233 120.400 0.034 0.000 2.323 155 D HA 0.009 4.649 4.640 -0.000 0.000 0.209 155 D C 1.517 177.871 176.300 0.090 0.000 0.973 155 D CA 1.088 55.116 54.000 0.046 0.000 0.874 155 D CB 0.271 41.106 40.800 0.058 0.000 0.930 155 D HN 0.433 nan 8.370 nan 0.000 0.521 156 G N 1.459 110.330 108.800 0.118 0.000 2.176 156 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 156 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 156 G C 0.114 175.107 174.900 0.155 0.000 1.024 156 G CA -0.218 44.975 45.100 0.154 0.000 0.755 156 G HN 0.234 nan 8.290 nan 0.000 0.507 157 I N 0.690 121.336 120.570 0.126 0.000 2.389 157 I HA 0.717 4.887 4.170 -0.000 0.000 0.288 157 I C 0.463 176.637 176.117 0.095 0.000 0.999 157 I CA -0.856 60.506 61.300 0.103 0.000 1.129 157 I CB 1.246 39.299 38.000 0.088 0.000 1.288 157 I HN 0.376 nan 8.210 nan 0.000 0.444 158 A N 7.456 130.321 122.820 0.075 0.000 2.374 158 A HA 0.857 5.177 4.320 -0.000 0.000 0.317 158 A C -0.627 176.986 177.584 0.049 0.000 1.094 158 A CA -0.541 51.520 52.037 0.041 0.000 0.765 158 A CB 1.336 20.329 19.000 -0.011 0.000 1.268 158 A HN 0.602 nan 8.150 nan 0.000 0.438 159 I N 2.176 122.788 120.570 0.070 0.000 2.371 159 I HA 0.205 4.374 4.170 -0.000 0.000 0.282 159 I C -0.144 176.006 176.117 0.054 0.000 1.031 159 I CA -0.337 61.031 61.300 0.113 0.000 1.180 159 I CB 1.358 39.529 38.000 0.285 0.000 1.336 159 I HN 0.677 nan 8.210 nan 0.000 0.467 160 D N 3.656 124.048 120.400 -0.014 0.000 2.277 160 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 160 D C 0.872 177.163 176.300 -0.016 0.000 0.962 160 D CA 0.708 54.675 54.000 -0.056 0.000 0.865 160 D CB 0.322 41.053 40.800 -0.116 0.000 0.939 160 D HN 0.573 nan 8.370 nan 0.000 0.510 161 E N 1.816 121.995 120.200 -0.034 0.000 2.417 161 E HA -0.048 4.301 4.350 -0.000 0.000 0.261 161 E C -0.126 176.431 176.600 -0.073 0.000 1.000 161 E CA -0.135 56.210 56.400 -0.092 0.000 0.919 161 E CB 0.454 30.049 29.700 -0.175 0.000 0.955 161 E HN -0.000 nan 8.360 nan 0.000 0.455 162 Q N 5.249 125.003 119.800 -0.077 0.000 2.288 162 Q HA 0.228 4.568 4.340 -0.000 0.000 0.254 162 Q C -2.008 173.838 176.000 -0.257 0.000 0.932 162 Q CA -1.779 53.983 55.803 -0.070 0.000 0.902 162 Q CB 1.033 29.747 28.738 -0.040 0.000 1.203 162 Q HN 0.516 nan 8.270 nan 0.000 0.415 163 P HA 0.088 nan 4.420 nan 0.000 0.275 163 P C -0.499 176.464 177.300 -0.563 0.000 1.228 163 P CA -0.048 62.727 63.100 -0.542 0.000 0.786 163 P CB 0.748 32.272 31.700 -0.294 0.000 0.927 164 D N 0.896 120.775 120.400 -0.867 0.000 2.940 164 D HA 0.272 4.912 4.640 -0.000 0.000 0.366 164 D C -0.734 175.236 176.300 -0.550 0.000 1.446 164 D CA -0.299 53.366 54.000 -0.559 0.000 0.780 164 D CB -0.508 40.015 40.800 -0.460 0.000 1.206 164 D HN 0.076 nan 8.370 nan 0.000 0.454 165 F N -0.662 119.217 119.950 -0.119 0.000 2.368 165 F HA 0.560 5.087 4.527 -0.000 0.000 0.315 165 F C 1.943 177.715 175.800 -0.047 0.000 1.145 165 F CA -0.447 57.508 58.000 -0.074 0.000 1.095 165 F CB 0.743 39.711 39.000 -0.053 0.000 1.286 165 F HN -0.028 nan 8.300 nan 0.000 0.530 166 G N 0.565 109.466 108.800 0.168 0.000 2.586 166 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.199 166 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.199 166 G C 0.782 175.725 174.900 0.071 0.000 1.614 166 G CA 0.152 45.299 45.100 0.078 0.000 0.921 166 G HN 0.681 nan 8.290 nan 0.000 0.428 167 N N 0.681 119.421 118.700 0.067 0.000 2.235 167 N HA 0.069 4.809 4.740 -0.000 0.000 0.209 167 N C -0.035 175.520 175.510 0.075 0.000 1.122 167 N CA -0.033 53.053 53.050 0.060 0.000 0.845 167 N CB 0.457 38.971 38.487 0.044 0.000 1.004 167 N HN 0.303 nan 8.380 nan 0.000 0.499 168 K N 0.999 121.456 120.400 0.094 0.000 2.382 168 K HA 0.212 4.532 4.320 -0.000 0.000 0.275 168 K C -0.207 176.469 176.600 0.127 0.000 1.009 168 K CA -0.345 56.000 56.287 0.097 0.000 0.970 168 K CB 1.786 34.332 32.500 0.076 0.000 0.934 168 K HN -0.162 nan 8.250 nan 0.000 0.479 169 V N 3.519 123.520 119.914 0.145 0.000 2.406 169 V HA 0.093 4.213 4.120 -0.000 0.000 0.272 169 V C -0.036 176.191 176.094 0.221 0.000 1.043 169 V CA -0.669 61.738 62.300 0.179 0.000 0.915 169 V CB 1.341 33.279 31.823 0.192 0.000 0.988 169 V HN 0.424 nan 8.190 nan 0.000 0.466 170 V N 6.465 126.516 119.914 0.228 0.000 2.370 170 V HA 0.423 4.543 4.120 -0.000 0.000 0.279 170 V C -0.054 176.233 176.094 0.323 0.000 1.029 170 V CA -0.470 61.999 62.300 0.282 0.000 0.870 170 V CB 1.764 33.748 31.823 0.267 0.000 0.984 170 V HN 0.608 nan 8.190 nan 0.000 0.451 171 V N 4.053 124.133 119.914 0.278 0.000 2.459 171 V HA 0.866 4.986 4.120 -0.000 0.000 0.295 171 V C 0.262 176.377 176.094 0.035 0.000 1.029 171 V CA -0.463 61.947 62.300 0.183 0.000 0.874 171 V CB 1.604 33.489 31.823 0.103 0.000 0.985 171 V HN 0.980 nan 8.190 nan 0.000 0.438 172 A N 2.647 125.422 122.820 -0.075 0.000 2.356 172 A HA 0.664 4.984 4.320 -0.000 0.000 0.310 172 A C -0.840 176.294 177.584 -0.751 0.000 1.075 172 A CA -0.522 51.240 52.037 -0.459 0.000 0.746 172 A CB 1.385 20.247 19.000 -0.228 0.000 1.221 172 A HN 0.754 nan 8.150 nan 0.000 0.443 173 D N 2.146 121.990 120.400 -0.927 0.000 2.468 173 D HA 0.280 4.920 4.640 -0.000 0.000 0.218 173 D C -0.670 175.276 176.300 -0.591 0.000 1.155 173 D CA -0.070 53.343 54.000 -0.978 0.000 0.924 173 D CB -0.271 40.319 40.800 -0.351 0.000 1.029 173 D HN 0.337 nan 8.370 nan 0.000 0.515 174 F N 1.779 121.401 119.950 -0.546 0.000 2.660 174 F HA 0.089 4.616 4.527 -0.000 0.000 0.297 174 F C 2.179 177.840 175.800 -0.232 0.000 1.132 174 F CA -0.246 57.547 58.000 -0.345 0.000 1.372 174 F CB 0.343 39.130 39.000 -0.357 0.000 1.003 174 F HN 0.250 nan 8.300 nan 0.000 0.524 175 S N -0.118 115.517 115.700 -0.108 0.000 2.372 175 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 175 S C 2.118 176.685 174.600 -0.056 0.000 1.044 175 S CA 2.128 60.275 58.200 -0.089 0.000 1.050 175 S CB -0.402 62.704 63.200 -0.157 0.000 0.901 175 S HN 0.511 nan 8.310 nan 0.000 0.447 176 S N 0.107 115.805 115.700 -0.004 0.000 2.605 176 S HA 0.211 4.681 4.470 -0.000 0.000 0.217 176 S C 0.985 175.720 174.600 0.225 0.000 0.958 176 S CA 0.382 58.659 58.200 0.128 0.000 0.919 176 S CB 0.277 63.612 63.200 0.225 0.000 0.780 176 S HN 0.493 nan 8.310 nan 0.000 0.507 177 S N -0.155 115.641 115.700 0.161 0.000 2.993 177 S HA 0.360 4.830 4.470 -0.000 0.000 0.257 177 S C -0.186 174.546 174.600 0.220 0.000 0.997 177 S CA -0.555 57.772 58.200 0.212 0.000 1.191 177 S CB -0.585 62.715 63.200 0.167 0.000 1.143 177 S HN 0.323 nan 8.310 nan 0.000 0.655 178 I N 2.915 123.578 120.570 0.155 0.000 2.556 178 I HA 0.356 4.526 4.170 -0.000 0.000 0.284 178 I C 0.712 176.838 176.117 0.015 0.000 1.114 178 I CA 0.187 61.498 61.300 0.019 0.000 1.418 178 I CB -0.086 37.876 38.000 -0.064 0.000 1.394 178 I HN 0.521 nan 8.210 nan 0.000 0.552 179 L N 4.545 125.747 121.223 -0.035 0.000 4.800 179 L HA -0.283 4.057 4.340 -0.000 0.000 0.412 179 L C 1.463 178.382 176.870 0.081 0.000 1.063 179 L CA 0.719 55.562 54.840 0.005 0.000 1.114 179 L CB -2.337 39.748 42.059 0.043 0.000 2.089 179 L HN 0.800 nan 8.230 nan 0.000 0.686 180 S N 0.087 115.855 115.700 0.113 0.000 2.453 180 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 180 S C 0.793 175.491 174.600 0.163 0.000 1.005 180 S CA 0.778 59.086 58.200 0.179 0.000 0.949 180 S CB 0.077 63.411 63.200 0.223 0.000 0.774 180 S HN 0.702 nan 8.310 nan 0.000 0.510 181 R N -0.726 119.824 120.500 0.084 0.000 2.728 181 R HA 0.444 4.784 4.340 -0.000 0.000 0.274 181 R C -3.830 172.466 176.300 -0.007 0.000 1.032 181 R CA -1.831 54.307 56.100 0.063 0.000 0.866 181 R CB -0.419 29.917 30.300 0.060 0.000 1.263 181 R HN -0.082 nan 8.270 nan 0.000 0.475 182 P HA 0.200 nan 4.420 nan 0.000 0.268 182 P C -0.499 176.764 177.300 -0.062 0.000 1.205 182 P CA -0.132 62.938 63.100 -0.050 0.000 0.771 182 P CB 0.367 32.048 31.700 -0.030 0.000 0.858 183 I N -2.030 118.473 120.570 -0.112 0.000 2.828 183 I HA 0.529 4.699 4.170 -0.000 0.000 0.302 183 I C -0.532 175.538 176.117 -0.079 0.000 1.101 183 I CA -1.244 60.002 61.300 -0.090 0.000 1.031 183 I CB 2.331 40.217 38.000 -0.190 0.000 1.231 183 I HN -0.006 nan 8.210 nan 0.000 0.427 184 D N 3.832 124.235 120.400 0.004 0.000 2.470 184 D HA 0.193 4.833 4.640 -0.000 0.000 0.226 184 D C 0.940 177.275 176.300 0.058 0.000 1.196 184 D CA -0.061 53.942 54.000 0.005 0.000 0.979 184 D CB 1.112 41.918 40.800 0.009 0.000 1.059 184 D HN 0.447 nan 8.370 nan 0.000 0.515 185 V N 2.927 122.788 119.914 -0.088 0.000 2.594 185 V HA -0.234 3.886 4.120 -0.000 0.000 0.253 185 V C 2.431 178.448 176.094 -0.128 0.000 1.069 185 V CA 2.009 64.194 62.300 -0.192 0.000 1.082 185 V CB -0.561 30.980 31.823 -0.470 0.000 0.680 185 V HN 0.660 nan 8.190 nan 0.000 0.469 186 S N 0.428 116.090 115.700 -0.064 0.000 2.474 186 S HA -0.151 4.318 4.470 -0.000 0.000 0.235 186 S C 1.852 176.536 174.600 0.140 0.000 0.997 186 S CA 0.879 59.126 58.200 0.078 0.000 0.949 186 S CB -0.426 62.813 63.200 0.066 0.000 0.766 186 S HN 0.656 nan 8.310 nan 0.000 0.517 187 R N -0.570 119.975 120.500 0.075 0.000 2.297 187 R HA 0.242 4.582 4.340 -0.000 0.000 0.197 187 R C -0.510 175.713 176.300 -0.129 0.000 0.943 187 R CA 0.238 56.294 56.100 -0.074 0.000 1.038 187 R CB 0.006 30.164 30.300 -0.237 0.000 0.957 187 R HN 0.480 nan 8.270 nan 0.000 0.484 188 Y N -1.755 118.625 120.300 0.132 0.000 2.528 188 Y HA 0.393 4.943 4.550 -0.000 0.000 0.335 188 Y C 1.445 177.499 175.900 0.257 0.000 1.093 188 Y CA -0.809 57.399 58.100 0.180 0.000 1.134 188 Y CB 1.419 39.953 38.460 0.124 0.000 1.253 188 Y HN -0.149 nan 8.280 nan 0.000 0.478 189 G N 0.351 109.369 108.800 0.364 0.000 2.471 189 G HA2 0.180 4.140 3.960 -0.000 0.000 0.211 189 G HA3 0.180 4.140 3.960 -0.000 0.000 0.211 189 G C -0.457 174.578 174.900 0.226 0.000 1.194 189 G CA 0.318 45.568 45.100 0.250 0.000 0.816 189 G HN 0.337 nan 8.290 nan 0.000 0.545 190 V N 1.155 121.188 119.914 0.198 0.000 2.588 190 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 190 V C -0.841 175.315 176.094 0.104 0.000 1.042 190 V CA -0.600 61.770 62.300 0.117 0.000 0.877 190 V CB 2.010 33.877 31.823 0.074 0.000 0.996 190 V HN 0.197 nan 8.190 nan 0.000 0.425 191 I N 5.750 126.310 120.570 -0.016 0.000 2.404 191 I HA 0.590 4.760 4.170 -0.000 0.000 0.293 191 I C -0.904 175.183 176.117 -0.050 0.000 0.992 191 I CA -0.665 60.553 61.300 -0.137 0.000 1.149 191 I CB 1.693 39.463 38.000 -0.383 0.000 1.315 191 I HN 0.788 nan 8.210 nan 0.000 0.446 192 Y N 4.344 124.595 120.300 -0.081 0.000 2.609 192 Y HA 0.917 5.467 4.550 -0.000 0.000 0.342 192 Y C -1.051 174.814 175.900 -0.058 0.000 1.058 192 Y CA -1.321 56.725 58.100 -0.090 0.000 1.055 192 Y CB 1.831 40.262 38.460 -0.049 0.000 1.292 192 Y HN 0.534 nan 8.280 nan 0.000 0.476 193 A N 1.315 124.213 122.820 0.131 0.000 2.518 193 A HA 0.595 4.915 4.320 -0.000 0.000 0.295 193 A C -0.294 177.296 177.584 0.010 0.000 1.052 193 A CA -0.299 51.754 52.037 0.026 0.000 0.824 193 A CB 0.315 19.292 19.000 -0.039 0.000 1.325 193 A HN 1.627 nan 8.150 nan 0.000 0.394 194 G N 0.758 109.547 108.800 -0.018 0.000 2.414 194 G HA2 0.518 4.478 3.960 -0.000 0.000 0.236 194 G HA3 0.518 4.478 3.960 -0.000 0.000 0.236 194 G C 1.045 175.899 174.900 -0.078 0.000 1.293 194 G CA 0.344 45.403 45.100 -0.068 0.000 0.869 194 G HN 1.876 nan 8.290 nan 0.000 0.556 195 A N 1.497 124.275 122.820 -0.071 0.000 2.119 195 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 195 A C 2.136 179.656 177.584 -0.107 0.000 1.152 195 A CA 1.148 53.142 52.037 -0.072 0.000 0.708 195 A CB -0.092 18.874 19.000 -0.056 0.000 0.805 195 A HN 0.620 nan 8.150 nan 0.000 0.460 196 Q N -0.010 119.724 119.800 -0.111 0.000 2.541 196 Q HA -0.003 4.337 4.340 -0.000 0.000 0.215 196 Q C 1.330 177.215 176.000 -0.192 0.000 0.977 196 Q CA 1.303 57.036 55.803 -0.115 0.000 0.934 196 Q CB -0.143 28.547 28.738 -0.079 0.000 0.988 196 Q HN 0.677 nan 8.270 nan 0.000 0.521 197 K N -0.779 119.443 120.400 -0.297 0.000 2.344 197 K HA 0.152 4.472 4.320 -0.000 0.000 0.229 197 K C 1.117 177.259 176.600 -0.764 0.000 1.112 197 K CA 0.351 56.248 56.287 -0.650 0.000 0.850 197 K CB 0.168 32.288 32.500 -0.632 0.000 1.311 197 K HN -0.094 nan 8.250 nan 0.000 0.448 198 N N 0.090 118.497 118.700 -0.488 0.000 2.230 198 N HA 0.191 4.931 4.740 -0.000 0.000 0.202 198 N C 0.744 176.208 175.510 -0.076 0.000 1.119 198 N CA 0.250 53.147 53.050 -0.254 0.000 0.851 198 N CB 0.446 38.893 38.487 -0.067 0.000 0.990 198 N HN 0.078 nan 8.380 nan 0.000 0.497 199 I N -1.539 118.973 120.570 -0.096 0.000 2.681 199 I HA 0.292 4.462 4.170 -0.000 0.000 0.247 199 I C 1.829 177.870 176.117 -0.127 0.000 1.091 199 I CA 1.016 62.282 61.300 -0.058 0.000 1.442 199 I CB -0.006 37.967 38.000 -0.046 0.000 1.219 199 I HN 0.154 nan 8.210 nan 0.000 0.451 200 G N -0.676 108.031 108.800 -0.154 0.000 2.481 200 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.200 200 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.200 200 G C -2.433 172.403 174.900 -0.107 0.000 1.012 200 G CA -0.467 44.545 45.100 -0.145 0.000 0.676 200 G HN 0.230 nan 8.290 nan 0.000 0.488 201 P HA 0.633 nan 4.420 nan 0.000 0.297 201 P C -0.125 177.152 177.300 -0.037 0.000 1.331 201 P CA 0.214 63.276 63.100 -0.063 0.000 0.803 201 P CB 1.491 33.136 31.700 -0.092 0.000 0.929 202 A N 2.886 125.701 122.820 -0.008 0.000 2.340 202 A HA 0.616 4.936 4.320 -0.000 0.000 0.268 202 A C 1.193 178.790 177.584 0.022 0.000 1.100 202 A CA 0.259 52.295 52.037 -0.001 0.000 0.803 202 A CB -0.553 18.451 19.000 0.008 0.000 1.043 202 A HN 0.798 nan 8.150 nan 0.000 0.488 203 G N -0.609 108.201 108.800 0.017 0.000 2.138 203 G HA2 0.127 4.087 3.960 -0.000 0.000 0.193 203 G HA3 0.127 4.087 3.960 -0.000 0.000 0.193 203 G C -0.554 174.361 174.900 0.026 0.000 0.998 203 G CA 0.291 45.416 45.100 0.041 0.000 0.668 203 G HN 1.739 nan 8.290 nan 0.000 0.516 204 L N 0.244 121.461 121.223 -0.010 0.000 2.466 204 L HA 0.917 5.257 4.340 -0.000 0.000 0.258 204 L C -0.588 176.250 176.870 -0.052 0.000 0.973 204 L CA -0.364 54.450 54.840 -0.044 0.000 0.826 204 L CB 2.261 44.294 42.059 -0.043 0.000 1.372 204 L HN 0.120 nan 8.230 nan 0.000 0.409 205 T N 3.907 118.418 114.554 -0.072 0.000 2.886 205 T HA 0.585 4.935 4.350 -0.000 0.000 0.292 205 T C -1.069 173.560 174.700 -0.119 0.000 1.012 205 T CA -0.339 61.718 62.100 -0.072 0.000 0.982 205 T CB 1.589 70.420 68.868 -0.062 0.000 1.018 205 T HN 0.524 nan 8.240 nan 0.000 0.451 206 L N 3.496 124.647 121.223 -0.120 0.000 2.292 206 L HA 0.680 5.020 4.340 -0.000 0.000 0.284 206 L C -0.909 175.850 176.870 -0.184 0.000 1.065 206 L CA -0.204 54.500 54.840 -0.226 0.000 0.806 206 L CB 1.067 43.017 42.059 -0.182 0.000 1.175 206 L HN 0.426 nan 8.230 nan 0.000 0.431 207 V N 5.902 125.647 119.914 -0.282 0.000 2.525 207 V HA 0.443 4.563 4.120 -0.000 0.000 0.299 207 V C -0.294 175.621 176.094 -0.298 0.000 1.034 207 V CA -0.531 61.620 62.300 -0.249 0.000 0.863 207 V CB 1.706 33.335 31.823 -0.323 0.000 0.999 207 V HN 0.487 nan 8.190 nan 0.000 0.423 208 I N 5.241 125.674 120.570 -0.228 0.000 2.339 208 I HA 0.598 4.768 4.170 -0.000 0.000 0.290 208 I C -0.619 175.456 176.117 -0.070 0.000 0.994 208 I CA -0.743 60.461 61.300 -0.160 0.000 1.191 208 I CB 1.816 39.703 38.000 -0.189 0.000 1.343 208 I HN 0.363 nan 8.210 nan 0.000 0.458 209 V N 5.108 124.989 119.914 -0.055 0.000 2.588 209 V HA 0.462 4.582 4.120 -0.000 0.000 0.304 209 V C 0.150 176.176 176.094 -0.114 0.000 1.042 209 V CA -0.973 61.277 62.300 -0.083 0.000 0.877 209 V CB 1.617 33.295 31.823 -0.242 0.000 0.996 209 V HN 0.673 nan 8.190 nan 0.000 0.425 210 R N 2.570 122.911 120.500 -0.265 0.000 2.522 210 R HA 0.051 4.391 4.340 -0.000 0.000 0.284 210 R C 1.716 177.821 176.300 -0.325 0.000 1.032 210 R CA 0.325 56.007 56.100 -0.697 0.000 1.049 210 R CB 0.629 30.571 30.300 -0.597 0.000 0.956 210 R HN 1.012 nan 8.270 nan 0.000 0.422 211 E N 3.724 123.740 120.200 -0.305 0.000 2.160 211 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 211 E C 0.381 176.928 176.600 -0.089 0.000 0.991 211 E CA 1.786 58.101 56.400 -0.143 0.000 0.810 211 E CB -0.101 29.534 29.700 -0.108 0.000 0.742 211 E HN 0.769 nan 8.360 nan 0.000 0.466 212 D N 1.217 121.557 120.400 -0.100 0.000 2.348 212 D HA -0.136 4.504 4.640 -0.000 0.000 0.216 212 D C 2.004 178.291 176.300 -0.022 0.000 0.970 212 D CA 0.478 54.449 54.000 -0.050 0.000 0.889 212 D CB -0.162 40.610 40.800 -0.046 0.000 0.912 212 D HN 0.360 nan 8.370 nan 0.000 0.524 213 L N 0.130 121.341 121.223 -0.021 0.000 2.418 213 L HA 0.125 4.465 4.340 -0.000 0.000 0.218 213 L C 1.252 178.150 176.870 0.047 0.000 1.125 213 L CA 0.025 54.880 54.840 0.024 0.000 0.835 213 L CB -0.137 41.945 42.059 0.038 0.000 0.953 213 L HN -0.060 nan 8.230 nan 0.000 0.454 214 L N 0.044 121.289 121.223 0.036 0.000 2.439 214 L HA 0.238 4.578 4.340 -0.000 0.000 0.269 214 L C 1.292 178.176 176.870 0.023 0.000 1.179 214 L CA 0.627 55.496 54.840 0.049 0.000 0.828 214 L CB 0.428 42.510 42.059 0.039 0.000 1.106 214 L HN 0.299 nan 8.230 nan 0.000 0.467 215 G N 1.599 110.407 108.800 0.013 0.000 2.179 215 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 215 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 215 G C 0.598 175.493 174.900 -0.008 0.000 0.990 215 G CA 0.060 45.158 45.100 -0.003 0.000 0.646 215 G HN 0.685 nan 8.290 nan 0.000 0.517 216 K N 0.638 121.038 120.400 -0.001 0.000 2.446 216 K HA 0.653 4.973 4.320 -0.000 0.000 0.203 216 K C 1.118 177.709 176.600 -0.015 0.000 1.027 216 K CA 0.350 56.636 56.287 -0.001 0.000 1.166 216 K CB 0.968 33.483 32.500 0.024 0.000 0.869 216 K HN 0.618 nan 8.250 nan 0.000 0.504 217 A N 1.910 124.706 122.820 -0.040 0.000 2.511 217 A HA -0.038 4.282 4.320 -0.000 0.000 0.242 217 A C -0.099 177.465 177.584 -0.034 0.000 1.069 217 A CA -0.149 51.851 52.037 -0.062 0.000 0.763 217 A CB -0.056 18.882 19.000 -0.104 0.000 1.001 217 A HN 0.347 nan 8.150 nan 0.000 0.498 218 H N 1.706 120.722 119.070 -0.090 0.000 2.871 218 H HA 0.034 4.590 4.556 -0.000 0.000 0.355 218 H C 1.280 176.571 175.328 -0.062 0.000 1.092 218 H CA 1.264 57.275 56.048 -0.062 0.000 1.420 218 H CB 0.855 30.581 29.762 -0.061 0.000 1.400 218 H HN 0.710 nan 8.280 nan 0.000 0.604 219 T N 3.490 117.954 114.554 -0.151 0.000 2.833 219 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 219 T C 1.871 176.664 174.700 0.156 0.000 1.054 219 T CA 1.326 63.421 62.100 -0.008 0.000 1.135 219 T CB -0.182 68.623 68.868 -0.105 0.000 0.869 219 T HN 0.679 nan 8.240 nan 0.000 0.466 220 A N 0.575 123.648 122.820 0.421 0.000 2.168 220 A HA 0.201 4.521 4.320 -0.000 0.000 0.215 220 A C 0.987 178.616 177.584 0.076 0.000 1.152 220 A CA 0.147 52.304 52.037 0.200 0.000 0.716 220 A CB -0.460 18.603 19.000 0.106 0.000 0.794 220 A HN 0.422 nan 8.150 nan 0.000 0.465 221 L N 1.492 122.743 121.223 0.046 0.000 2.418 221 L HA 0.324 4.664 4.340 -0.000 0.000 0.274 221 L C -2.451 174.397 176.870 -0.037 0.000 1.135 221 L CA -1.936 52.874 54.840 -0.051 0.000 0.870 221 L CB 0.084 42.072 42.059 -0.118 0.000 1.154 221 L HN -0.042 nan 8.230 nan 0.000 0.462 222 P HA 0.059 nan 4.420 nan 0.000 0.262 222 P C 0.595 177.870 177.300 -0.041 0.000 1.182 222 P CA 0.241 63.339 63.100 -0.005 0.000 0.761 222 P CB 0.631 32.340 31.700 0.014 0.000 0.795 223 S N 2.932 118.602 115.700 -0.050 0.000 2.380 223 S HA -0.218 4.251 4.470 -0.000 0.000 0.229 223 S C 1.698 176.152 174.600 -0.244 0.000 1.043 223 S CA 1.775 59.833 58.200 -0.237 0.000 1.038 223 S CB -1.011 61.946 63.200 -0.405 0.000 0.872 223 S HN 0.683 nan 8.310 nan 0.000 0.456 224 I N -1.068 119.526 120.570 0.039 0.000 2.700 224 I HA -0.023 4.147 4.170 -0.000 0.000 0.261 224 I C 1.401 177.567 176.117 0.081 0.000 1.219 224 I CA 1.462 62.868 61.300 0.177 0.000 1.463 224 I CB -0.327 37.832 38.000 0.265 0.000 1.092 224 I HN 0.154 nan 8.210 nan 0.000 0.452 225 L N 0.311 121.528 121.223 -0.009 0.000 2.693 225 L HA 0.273 4.613 4.340 -0.000 0.000 0.235 225 L C 0.389 177.171 176.870 -0.146 0.000 1.127 225 L CA -0.108 54.706 54.840 -0.044 0.000 0.914 225 L CB -0.109 41.910 42.059 -0.068 0.000 1.193 225 L HN 0.209 nan 8.230 nan 0.000 0.502 226 D N -0.375 119.933 120.400 -0.153 0.000 2.325 226 D HA -0.026 4.614 4.640 -0.000 0.000 0.251 226 D C 0.741 177.010 176.300 -0.051 0.000 1.196 226 D CA -0.099 53.785 54.000 -0.193 0.000 0.866 226 D CB 0.961 41.647 40.800 -0.190 0.000 1.101 226 D HN -0.013 nan 8.370 nan 0.000 0.476 227 Y N 3.486 123.743 120.300 -0.072 0.000 2.181 227 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 227 Y C 2.443 178.314 175.900 -0.048 0.000 1.146 227 Y CA 0.984 59.050 58.100 -0.056 0.000 1.164 227 Y CB -0.576 37.854 38.460 -0.051 0.000 0.982 227 Y HN 0.473 nan 8.280 nan 0.000 0.515 228 K N 0.199 120.661 120.400 0.102 0.000 2.103 228 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 228 K C 1.754 178.359 176.600 0.008 0.000 1.048 228 K CA 1.543 57.855 56.287 0.041 0.000 0.930 228 K CB -0.194 32.312 32.500 0.009 0.000 0.716 228 K HN 0.124 nan 8.250 nan 0.000 0.444 229 I N 1.564 122.105 120.570 -0.050 0.000 2.163 229 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 229 I C 2.385 178.493 176.117 -0.015 0.000 1.081 229 I CA 1.158 62.391 61.300 -0.112 0.000 1.353 229 I CB -1.191 36.593 38.000 -0.359 0.000 1.054 229 I HN 0.232 nan 8.210 nan 0.000 0.407 230 L N 0.947 122.183 121.223 0.022 0.000 2.013 230 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 230 L C 2.833 179.777 176.870 0.123 0.000 1.073 230 L CA 1.827 56.734 54.840 0.111 0.000 0.753 230 L CB -0.752 41.375 42.059 0.114 0.000 0.890 230 L HN 0.227 nan 8.230 nan 0.000 0.432 231 A N -0.537 122.337 122.820 0.090 0.000 1.898 231 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 231 A C 1.942 179.582 177.584 0.092 0.000 1.181 231 A CA 1.919 54.005 52.037 0.083 0.000 0.620 231 A CB -0.550 18.483 19.000 0.055 0.000 0.819 231 A HN 0.365 nan 8.150 nan 0.000 0.442 232 D N 0.135 120.583 120.400 0.080 0.000 2.218 232 D HA -0.078 4.561 4.640 -0.000 0.000 0.204 232 D C 0.909 177.281 176.300 0.120 0.000 0.976 232 D CA 0.902 54.952 54.000 0.083 0.000 0.853 232 D CB -0.212 40.625 40.800 0.062 0.000 0.939 232 D HN 0.484 nan 8.370 nan 0.000 0.481 233 N N 0.802 119.597 118.700 0.158 0.000 2.204 233 N HA -0.031 4.709 4.740 -0.000 0.000 0.219 233 N C -0.676 174.972 175.510 0.229 0.000 1.151 233 N CA -0.004 53.170 53.050 0.206 0.000 0.867 233 N CB 1.016 39.675 38.487 0.287 0.000 1.043 233 N HN -0.032 nan 8.380 nan 0.000 0.516 234 D N 0.845 121.373 120.400 0.213 0.000 2.689 234 D HA -0.154 4.486 4.640 -0.000 0.000 0.237 234 D C -0.164 176.363 176.300 0.379 0.000 1.148 234 D CA 0.835 54.995 54.000 0.266 0.000 0.656 234 D CB -1.514 39.433 40.800 0.245 0.000 1.050 234 D HN 0.119 nan 8.370 nan 0.000 0.426 235 S N -2.277 113.618 115.700 0.325 0.000 3.380 235 S HA -0.275 4.195 4.470 -0.000 0.000 0.300 235 S C 0.938 175.787 174.600 0.415 0.000 1.255 235 S CA 1.424 59.828 58.200 0.340 0.000 0.963 235 S CB -0.888 62.514 63.200 0.336 0.000 1.106 235 S HN 0.614 nan 8.310 nan 0.000 0.629 236 M N -0.321 119.513 119.600 0.389 0.000 2.963 236 M HA 0.283 4.763 4.480 -0.000 0.000 0.350 236 M C 0.983 177.467 176.300 0.307 0.000 1.253 236 M CA -0.157 55.357 55.300 0.357 0.000 0.856 236 M CB -0.018 32.820 32.600 0.397 0.000 1.356 236 M HN 0.282 nan 8.290 nan 0.000 0.510 237 F N 2.687 122.741 119.950 0.172 0.000 2.069 237 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 237 F C 1.287 177.161 175.800 0.122 0.000 1.113 237 F CA 1.538 59.619 58.000 0.134 0.000 1.214 237 F CB 0.155 39.223 39.000 0.113 0.000 0.978 237 F HN 0.385 nan 8.300 nan 0.000 0.474 238 N N -0.876 117.819 118.700 -0.008 0.000 2.906 238 N HA 0.139 4.879 4.740 -0.000 0.000 0.327 238 N C -0.953 174.500 175.510 -0.094 0.000 1.344 238 N CA -0.341 52.632 53.050 -0.128 0.000 0.823 238 N CB 0.001 38.426 38.487 -0.104 0.000 1.351 238 N HN -0.071 nan 8.380 nan 0.000 0.604 239 T N 2.138 116.578 114.554 -0.189 0.000 2.817 239 T HA 0.248 4.598 4.350 -0.000 0.000 0.295 239 T C -2.205 172.457 174.700 -0.064 0.000 0.958 239 T CA -0.316 61.532 62.100 -0.421 0.000 1.157 239 T CB 0.380 69.062 68.868 -0.310 0.000 0.898 239 T HN 0.455 nan 8.240 nan 0.000 0.536 240 P HA 0.259 nan 4.420 nan 0.000 0.274 240 P C -2.602 174.719 177.300 0.036 0.000 1.256 240 P CA -1.905 61.215 63.100 0.033 0.000 0.795 240 P CB -0.341 31.567 31.700 0.347 0.000 1.038 241 P HA 0.055 nan 4.420 nan 0.000 0.244 241 P C 0.893 178.292 177.300 0.165 0.000 1.769 241 P CA 0.165 63.326 63.100 0.102 0.000 1.102 241 P CB -0.737 31.006 31.700 0.070 0.000 1.937 242 T N -0.876 113.700 114.554 0.037 0.000 2.665 242 T HA -0.293 4.056 4.350 -0.000 0.000 0.268 242 T C 1.521 176.343 174.700 0.204 0.000 1.035 242 T CA 1.145 63.204 62.100 -0.068 0.000 1.151 242 T CB -1.241 67.275 68.868 -0.586 0.000 0.862 242 T HN 0.118 nan 8.240 nan 0.000 0.438 243 F N 2.789 122.747 119.950 0.013 0.000 2.134 243 F HA 0.163 4.689 4.527 -0.000 0.000 0.299 243 F C 2.744 178.651 175.800 0.177 0.000 1.097 243 F CA 0.627 58.664 58.000 0.062 0.000 1.264 243 F CB -1.017 37.980 39.000 -0.004 0.000 1.001 243 F HN 0.265 nan 8.300 nan 0.000 0.479 244 A N 0.071 122.988 122.820 0.162 0.000 1.883 244 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 244 A C 2.204 179.817 177.584 0.048 0.000 1.186 244 A CA 1.713 53.785 52.037 0.058 0.000 0.624 244 A CB -1.759 17.296 19.000 0.092 0.000 0.822 244 A HN 0.696 nan 8.150 nan 0.000 0.444 245 W N -0.203 121.066 121.300 -0.053 0.000 2.379 245 W HA -0.196 4.464 4.660 -0.000 0.000 0.307 245 W C 2.122 178.529 176.519 -0.187 0.000 1.200 245 W CA 1.392 58.667 57.345 -0.117 0.000 1.297 245 W CB -1.189 28.256 29.460 -0.025 0.000 1.140 245 W HN 0.558 nan 8.180 nan 0.000 0.507 246 Y N 0.667 120.962 120.300 -0.009 0.000 2.128 246 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 246 Y C 2.494 178.214 175.900 -0.301 0.000 1.154 246 Y CA 2.720 60.679 58.100 -0.234 0.000 1.149 246 Y CB -0.980 37.280 38.460 -0.334 0.000 0.976 246 Y HN -0.100 nan 8.280 nan 0.000 0.505 247 L N -0.551 120.299 121.223 -0.622 0.000 2.046 247 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 247 L C 2.600 179.143 176.870 -0.545 0.000 1.077 247 L CA 1.648 56.047 54.840 -0.736 0.000 0.747 247 L CB -0.672 41.056 42.059 -0.553 0.000 0.896 247 L HN 0.250 nan 8.230 nan 0.000 0.432 248 S N -0.065 115.367 115.700 -0.447 0.000 2.365 248 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 248 S C 1.988 175.976 174.600 -1.021 0.000 1.039 248 S CA 1.312 59.127 58.200 -0.641 0.000 1.033 248 S CB -0.787 62.134 63.200 -0.464 0.000 0.887 248 S HN 0.645 nan 8.310 nan 0.000 0.447 249 G N 1.874 110.316 108.800 -0.596 0.000 2.476 249 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 249 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 249 G C 1.320 176.052 174.900 -0.280 0.000 1.164 249 G CA 0.942 45.846 45.100 -0.328 0.000 0.768 249 G HN 0.455 nan 8.290 nan 0.000 0.560 250 L N 0.143 121.125 121.223 -0.402 0.000 2.083 250 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 250 L C 3.018 179.815 176.870 -0.123 0.000 1.083 250 L CA 0.464 55.145 54.840 -0.267 0.000 0.752 250 L CB -0.596 41.225 42.059 -0.397 0.000 0.899 250 L HN 0.104 nan 8.230 nan 0.000 0.433 251 V N -0.235 119.537 119.914 -0.238 0.000 2.332 251 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 251 V C 2.401 178.622 176.094 0.213 0.000 1.055 251 V CA 1.878 64.138 62.300 -0.068 0.000 1.038 251 V CB -0.660 31.043 31.823 -0.199 0.000 0.651 251 V HN 0.205 nan 8.190 nan 0.000 0.450 252 F N 0.808 120.809 119.950 0.084 0.000 2.102 252 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 252 F C 2.325 178.177 175.800 0.087 0.000 1.105 252 F CA 1.171 59.221 58.000 0.083 0.000 1.239 252 F CB -1.201 37.837 39.000 0.063 0.000 0.991 252 F HN 0.134 nan 8.300 nan 0.000 0.474 253 K N -1.218 119.339 120.400 0.262 0.000 2.103 253 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 253 K C 2.022 178.732 176.600 0.184 0.000 1.048 253 K CA 1.733 58.126 56.287 0.175 0.000 0.930 253 K CB -0.597 31.980 32.500 0.127 0.000 0.716 253 K HN 0.345 nan 8.250 nan 0.000 0.444 254 W N 1.664 122.986 121.300 0.038 0.000 2.379 254 W HA -0.126 4.534 4.660 -0.000 0.000 0.307 254 W C 1.457 178.002 176.519 0.045 0.000 1.200 254 W CA 1.164 58.525 57.345 0.027 0.000 1.297 254 W CB -0.342 29.122 29.460 0.006 0.000 1.140 254 W HN -0.084 nan 8.180 nan 0.000 0.507 255 L N 0.977 122.298 121.223 0.162 0.000 1.990 255 L HA -0.337 4.003 4.340 -0.000 0.000 0.213 255 L C 2.640 179.430 176.870 -0.133 0.000 1.072 255 L CA 2.185 56.999 54.840 -0.043 0.000 0.755 255 L CB -1.002 41.147 42.059 0.151 0.000 0.889 255 L HN -0.059 nan 8.230 nan 0.000 0.432 256 K N -0.125 120.255 120.400 -0.034 0.000 2.089 256 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 256 K C 1.967 178.505 176.600 -0.103 0.000 1.048 256 K CA 2.024 58.281 56.287 -0.051 0.000 0.926 256 K CB -0.253 32.248 32.500 0.000 0.000 0.714 256 K HN 0.420 nan 8.250 nan 0.000 0.448 257 E N 0.318 120.436 120.200 -0.136 0.000 2.150 257 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 257 E C 2.070 178.530 176.600 -0.233 0.000 0.985 257 E CA 0.714 57.024 56.400 -0.152 0.000 0.814 257 E CB 0.130 29.751 29.700 -0.132 0.000 0.752 257 E HN 0.227 nan 8.360 nan 0.000 0.466 258 Q N -0.861 118.704 119.800 -0.392 0.000 2.297 258 Q HA 0.006 4.346 4.340 -0.000 0.000 0.204 258 Q C 1.362 177.229 176.000 -0.223 0.000 0.962 258 Q CA 1.194 56.760 55.803 -0.396 0.000 0.879 258 Q CB 0.834 29.170 28.738 -0.670 0.000 0.947 258 Q HN 0.428 nan 8.270 nan 0.000 0.462 259 G N -1.084 107.613 108.800 -0.172 0.000 2.173 259 G HA2 0.087 4.047 3.960 -0.000 0.000 0.142 259 G HA3 0.087 4.047 3.960 -0.000 0.000 0.142 259 G C 0.463 175.314 174.900 -0.083 0.000 1.019 259 G CA -0.003 45.034 45.100 -0.105 0.000 0.699 259 G HN 0.700 nan 8.290 nan 0.000 0.495 260 G N -0.959 107.785 108.800 -0.093 0.000 2.725 260 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.220 260 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.220 260 G C 0.853 175.727 174.900 -0.044 0.000 1.357 260 G CA -0.111 44.952 45.100 -0.062 0.000 0.866 260 G HN 1.071 nan 8.290 nan 0.000 0.548 261 L N 1.118 122.323 121.223 -0.030 0.000 2.376 261 L HA 0.119 4.459 4.340 -0.000 0.000 0.219 261 L C 3.019 179.896 176.870 0.013 0.000 1.133 261 L CA 1.524 56.360 54.840 -0.006 0.000 0.816 261 L CB -0.817 41.227 42.059 -0.025 0.000 0.933 261 L HN 0.810 nan 8.230 nan 0.000 0.449 262 G N -0.065 108.735 108.800 -0.000 0.000 2.422 262 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 262 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 262 G C 1.505 176.418 174.900 0.022 0.000 1.140 262 G CA 0.522 45.630 45.100 0.015 0.000 0.775 262 G HN 0.285 nan 8.290 nan 0.000 0.545 263 E N 0.002 120.201 120.200 -0.001 0.000 2.076 263 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 263 E C 2.541 179.151 176.600 0.017 0.000 0.979 263 E CA 0.517 56.912 56.400 -0.008 0.000 0.807 263 E CB -0.227 29.445 29.700 -0.047 0.000 0.761 263 E HN 0.152 nan 8.360 nan 0.000 0.454 264 M N 0.670 120.287 119.600 0.028 0.000 2.082 264 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 264 M C 2.239 178.621 176.300 0.137 0.000 1.069 264 M CA 1.888 57.236 55.300 0.080 0.000 1.102 264 M CB -1.240 31.418 32.600 0.096 0.000 1.336 264 M HN 0.287 nan 8.290 nan 0.000 0.404 265 E N 0.424 120.718 120.200 0.157 0.000 2.049 265 E HA -0.247 4.103 4.350 -0.000 0.000 0.198 265 E C 1.951 178.666 176.600 0.191 0.000 1.007 265 E CA 1.823 58.381 56.400 0.264 0.000 0.809 265 E CB 0.066 29.898 29.700 0.220 0.000 0.749 265 E HN 0.499 nan 8.360 nan 0.000 0.450 266 K N -0.067 120.389 120.400 0.093 0.000 2.026 266 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 266 K C 2.434 179.026 176.600 -0.014 0.000 1.048 266 K CA 1.470 57.772 56.287 0.025 0.000 0.929 266 K CB -0.136 32.373 32.500 0.015 0.000 0.713 266 K HN 0.095 nan 8.250 nan 0.000 0.439 267 R N 0.657 121.167 120.500 0.016 0.000 2.081 267 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 267 R C 2.024 178.317 176.300 -0.012 0.000 1.131 267 R CA 1.225 57.330 56.100 0.008 0.000 0.960 267 R CB -0.296 30.029 30.300 0.041 0.000 0.856 267 R HN 0.232 nan 8.270 nan 0.000 0.436 268 N N 0.853 119.576 118.700 0.038 0.000 2.142 268 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 268 N C 1.802 177.146 175.510 -0.276 0.000 1.023 268 N CA 1.120 54.200 53.050 0.049 0.000 0.852 268 N CB -0.294 38.376 38.487 0.305 0.000 0.998 268 N HN 0.187 nan 8.380 nan 0.000 0.424 269 Q N 1.473 120.953 119.800 -0.533 0.000 2.014 269 Q HA -0.080 4.260 4.340 -0.000 0.000 0.207 269 Q C 1.828 177.530 176.000 -0.498 0.000 0.993 269 Q CA 2.438 57.668 55.803 -0.954 0.000 0.850 269 Q CB -0.752 27.634 28.738 -0.588 0.000 0.916 269 Q HN 0.301 nan 8.270 nan 0.000 0.417 270 A N 0.118 122.782 122.820 -0.261 0.000 1.933 270 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 270 A C 2.052 179.552 177.584 -0.141 0.000 1.175 270 A CA 1.765 53.705 52.037 -0.161 0.000 0.628 270 A CB -0.490 18.454 19.000 -0.092 0.000 0.814 270 A HN 0.468 nan 8.150 nan 0.000 0.444 271 K N -0.308 120.012 120.400 -0.133 0.000 2.057 271 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 271 K C 2.281 178.806 176.600 -0.125 0.000 1.050 271 K CA 1.134 57.363 56.287 -0.097 0.000 0.935 271 K CB -0.289 32.184 32.500 -0.046 0.000 0.715 271 K HN 0.436 nan 8.250 nan 0.000 0.439 272 A N 1.332 124.044 122.820 -0.181 0.000 1.898 272 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 272 A C 2.083 179.654 177.584 -0.021 0.000 1.181 272 A CA 1.650 53.615 52.037 -0.119 0.000 0.620 272 A CB -0.451 18.444 19.000 -0.175 0.000 0.819 272 A HN 0.429 nan 8.150 nan 0.000 0.442 273 E N -0.439 119.699 120.200 -0.103 0.000 2.085 273 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 273 E C 1.875 178.463 176.600 -0.020 0.000 0.994 273 E CA 1.471 57.848 56.400 -0.038 0.000 0.801 273 E CB -0.239 29.405 29.700 -0.093 0.000 0.743 273 E HN 0.420 nan 8.360 nan 0.000 0.453 274 L N 0.665 121.850 121.223 -0.063 0.000 2.017 274 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 274 L C 2.266 179.082 176.870 -0.090 0.000 1.073 274 L CA 1.549 56.350 54.840 -0.064 0.000 0.745 274 L CB -0.732 41.284 42.059 -0.070 0.000 0.894 274 L HN 0.334 nan 8.230 nan 0.000 0.432 275 L N -1.629 119.505 121.223 -0.148 0.000 2.072 275 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 275 L C 2.285 178.989 176.870 -0.276 0.000 1.079 275 L CA 1.686 56.370 54.840 -0.259 0.000 0.752 275 L CB -0.960 40.890 42.059 -0.349 0.000 0.906 275 L HN 0.295 nan 8.230 nan 0.000 0.436 276 Y N 0.059 120.299 120.300 -0.101 0.000 2.274 276 Y HA -0.050 4.499 4.550 -0.000 0.000 0.290 276 Y C 2.516 178.376 175.900 -0.066 0.000 1.145 276 Y CA 1.200 59.255 58.100 -0.075 0.000 1.203 276 Y CB -1.242 37.198 38.460 -0.034 0.000 0.984 276 Y HN 0.250 nan 8.280 nan 0.000 0.533 277 G N -0.427 108.419 108.800 0.075 0.000 2.440 277 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 277 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 277 G C 1.912 176.814 174.900 0.004 0.000 1.154 277 G CA 1.099 46.218 45.100 0.031 0.000 0.767 277 G HN 0.476 nan 8.290 nan 0.000 0.552 278 A N 0.403 123.190 122.820 -0.055 0.000 1.929 278 A HA 0.183 4.503 4.320 -0.000 0.000 0.216 278 A C 2.371 179.929 177.584 -0.044 0.000 1.176 278 A CA 1.057 53.051 52.037 -0.071 0.000 0.628 278 A CB -0.239 18.667 19.000 -0.158 0.000 0.816 278 A HN 0.362 nan 8.150 nan 0.000 0.444 279 I N -0.049 120.456 120.570 -0.107 0.000 2.252 279 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 279 I C 1.619 177.798 176.117 0.104 0.000 1.102 279 I CA 1.408 62.692 61.300 -0.027 0.000 1.385 279 I CB -0.267 37.688 38.000 -0.074 0.000 1.064 279 I HN 0.177 nan 8.210 nan 0.000 0.414 280 D N 0.613 121.066 120.400 0.089 0.000 2.234 280 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 280 D C 2.085 178.432 176.300 0.078 0.000 0.962 280 D CA 0.764 54.817 54.000 0.087 0.000 0.855 280 D CB -0.164 40.681 40.800 0.074 0.000 0.951 280 D HN 0.425 nan 8.370 nan 0.000 0.500 281 R N -0.198 120.346 120.500 0.074 0.000 2.323 281 R HA 0.078 4.418 4.340 -0.000 0.000 0.198 281 R C 0.426 176.768 176.300 0.071 0.000 0.988 281 R CA 0.437 56.574 56.100 0.061 0.000 1.041 281 R CB 0.141 30.470 30.300 0.048 0.000 0.926 281 R HN -0.117 nan 8.270 nan 0.000 0.476 282 T N -2.052 112.563 114.554 0.102 0.000 2.900 282 T HA 0.437 4.787 4.350 -0.000 0.000 0.303 282 T C 0.524 175.295 174.700 0.118 0.000 1.142 282 T CA -0.381 61.783 62.100 0.108 0.000 1.007 282 T CB 1.715 70.665 68.868 0.136 0.000 1.156 282 T HN 0.145 nan 8.240 nan 0.000 0.490 283 G N 1.185 110.043 108.800 0.097 0.000 2.712 283 G HA2 0.043 4.003 3.960 -0.000 0.000 0.212 283 G HA3 0.043 4.003 3.960 -0.000 0.000 0.212 283 G C 1.075 176.020 174.900 0.074 0.000 1.142 283 G CA 0.007 45.155 45.100 0.080 0.000 0.789 283 G HN 0.656 nan 8.290 nan 0.000 0.535 284 F N 0.818 120.704 119.950 -0.107 0.000 2.134 284 F HA 0.133 4.660 4.527 -0.000 0.000 0.299 284 F C 0.536 176.139 175.800 -0.329 0.000 1.097 284 F CA 0.480 58.324 58.000 -0.259 0.000 1.264 284 F CB 0.083 38.831 39.000 -0.421 0.000 1.001 284 F HN 0.069 nan 8.300 nan 0.000 0.479 285 Y N 0.222 120.630 120.300 0.181 0.000 2.457 285 Y HA 0.625 5.175 4.550 -0.000 0.000 0.333 285 Y C -0.181 175.763 175.900 0.074 0.000 1.119 285 Y CA -1.319 56.839 58.100 0.097 0.000 1.143 285 Y CB 1.006 39.514 38.460 0.080 0.000 1.230 285 Y HN -0.271 nan 8.280 nan 0.000 0.469 286 R N 1.599 122.256 120.500 0.261 0.000 2.771 286 R HA 0.468 4.808 4.340 -0.000 0.000 0.274 286 R C -1.588 174.836 176.300 0.207 0.000 0.987 286 R CA -1.130 55.077 56.100 0.178 0.000 0.908 286 R CB 2.538 32.902 30.300 0.106 0.000 1.213 286 R HN 0.682 nan 8.270 nan 0.000 0.468 287 N N 1.142 119.946 118.700 0.174 0.000 2.336 287 N HA 0.139 4.879 4.740 -0.000 0.000 0.290 287 N C -1.389 174.201 175.510 0.132 0.000 1.058 287 N CA -0.284 52.879 53.050 0.188 0.000 0.865 287 N CB 2.072 40.718 38.487 0.266 0.000 1.581 287 N HN 0.529 nan 8.380 nan 0.000 0.480 288 D N 2.021 122.491 120.400 0.116 0.000 2.755 288 D HA 0.235 4.874 4.640 -0.000 0.000 0.257 288 D C -0.337 176.010 176.300 0.078 0.000 1.291 288 D CA 0.115 54.167 54.000 0.087 0.000 0.836 288 D CB 0.755 41.603 40.800 0.079 0.000 1.059 288 D HN 0.169 nan 8.370 nan 0.000 0.486 289 V N 0.920 120.881 119.914 0.078 0.000 2.483 289 V HA 0.619 4.739 4.120 -0.000 0.000 0.295 289 V C 0.618 176.723 176.094 0.019 0.000 1.035 289 V CA -1.375 60.958 62.300 0.056 0.000 0.896 289 V CB 1.658 33.527 31.823 0.076 0.000 0.986 289 V HN 0.230 nan 8.190 nan 0.000 0.447 290 A N 4.491 127.318 122.820 0.012 0.000 2.531 290 A HA 0.273 4.593 4.320 -0.000 0.000 0.236 290 A C 1.373 178.941 177.584 -0.027 0.000 1.062 290 A CA -0.262 51.774 52.037 -0.001 0.000 0.760 290 A CB -0.074 18.929 19.000 0.004 0.000 0.995 290 A HN 0.706 nan 8.150 nan 0.000 0.501 291 I N 2.379 122.926 120.570 -0.039 0.000 2.145 291 I HA -0.230 3.940 4.170 -0.000 0.000 0.244 291 I C 2.608 178.701 176.117 -0.040 0.000 1.075 291 I CA 2.547 63.806 61.300 -0.068 0.000 1.332 291 I CB -1.802 36.173 38.000 -0.042 0.000 1.033 291 I HN 0.779 nan 8.210 nan 0.000 0.410 292 T N 0.422 114.971 114.554 -0.010 0.000 3.007 292 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 292 T C 1.276 175.983 174.700 0.013 0.000 1.107 292 T CA 1.562 63.667 62.100 0.008 0.000 1.118 292 T CB -0.453 68.420 68.868 0.007 0.000 0.889 292 T HN 0.439 nan 8.240 nan 0.000 0.506 293 N N -0.085 118.621 118.700 0.010 0.000 2.187 293 N HA 0.227 4.967 4.740 -0.000 0.000 0.212 293 N C -0.127 175.407 175.510 0.040 0.000 1.152 293 N CA -0.288 52.778 53.050 0.027 0.000 0.872 293 N CB 0.507 39.015 38.487 0.036 0.000 1.025 293 N HN 0.142 nan 8.380 nan 0.000 0.514 294 R N 1.346 121.856 120.500 0.016 0.000 2.404 294 R HA 0.084 4.424 4.340 -0.000 0.000 0.315 294 R C 0.100 176.529 176.300 0.215 0.000 1.032 294 R CA 0.056 56.179 56.100 0.039 0.000 0.992 294 R CB 0.512 30.623 30.300 -0.315 0.000 0.959 294 R HN 0.052 nan 8.270 nan 0.000 0.428 295 S N 2.460 118.319 115.700 0.265 0.000 2.560 295 S HA -0.051 4.419 4.470 -0.000 0.000 0.284 295 S C 0.496 175.413 174.600 0.527 0.000 1.327 295 S CA -0.419 57.953 58.200 0.286 0.000 1.055 295 S CB 0.372 63.706 63.200 0.222 0.000 0.868 295 S HN 0.585 nan 8.310 nan 0.000 0.506 296 W N 3.751 125.161 121.300 0.184 0.000 3.139 296 W HA 0.206 4.866 4.660 -0.000 0.000 0.260 296 W C 1.567 178.143 176.519 0.096 0.000 1.312 296 W CA -0.209 57.240 57.345 0.174 0.000 1.606 296 W CB -0.577 28.967 29.460 0.140 0.000 1.118 296 W HN 0.619 nan 8.180 nan 0.000 0.675 297 M N -1.119 118.646 119.600 0.274 0.000 2.800 297 M HA 0.129 4.608 4.480 -0.000 0.000 0.257 297 M C -0.510 175.735 176.300 -0.092 0.000 1.309 297 M CA 0.946 56.300 55.300 0.090 0.000 1.202 297 M CB -0.749 31.957 32.600 0.177 0.000 1.273 297 M HN -0.246 nan 8.290 nan 0.000 0.528 298 N N 0.233 118.950 118.700 0.029 0.000 2.399 298 N HA 0.424 5.164 4.740 -0.000 0.000 0.280 298 N C -1.125 174.435 175.510 0.083 0.000 1.008 298 N CA -0.233 52.825 53.050 0.013 0.000 0.894 298 N CB 2.705 41.232 38.487 0.067 0.000 1.273 298 N HN -0.204 nan 8.380 nan 0.000 0.486 299 V N 2.909 122.848 119.914 0.043 0.000 2.315 299 V HA 0.385 4.505 4.120 -0.000 0.000 0.265 299 V C -2.218 173.951 176.094 0.125 0.000 1.019 299 V CA -1.488 60.841 62.300 0.047 0.000 0.824 299 V CB 0.650 32.369 31.823 -0.174 0.000 1.072 299 V HN 0.607 nan 8.190 nan 0.000 0.448 300 P HA 0.472 nan 4.420 nan 0.000 0.275 300 P C -0.859 176.560 177.300 0.199 0.000 1.228 300 P CA 0.012 63.156 63.100 0.074 0.000 0.786 300 P CB 0.924 32.660 31.700 0.059 0.000 0.927 301 F N -0.834 119.095 119.950 -0.035 0.000 2.688 301 F HA 0.559 5.086 4.527 -0.000 0.000 0.308 301 F C -1.480 174.288 175.800 -0.052 0.000 1.117 301 F CA -1.114 56.869 58.000 -0.027 0.000 0.976 301 F CB 0.991 39.957 39.000 -0.056 0.000 1.291 301 F HN 0.146 nan 8.300 nan 0.000 0.439 302 Q N 3.060 122.950 119.800 0.150 0.000 2.378 302 Q HA 0.615 4.955 4.340 -0.000 0.000 0.276 302 Q C -1.097 174.954 176.000 0.085 0.000 1.083 302 Q CA -1.109 54.696 55.803 0.003 0.000 0.856 302 Q CB 2.116 30.832 28.738 -0.036 0.000 1.383 302 Q HN 0.945 nan 8.270 nan 0.000 0.458 303 M N 0.503 120.059 119.600 -0.073 0.000 2.409 303 M HA 0.507 4.987 4.480 -0.000 0.000 0.329 303 M C 0.922 177.075 176.300 -0.245 0.000 1.180 303 M CA -0.544 54.610 55.300 -0.243 0.000 1.053 303 M CB 1.668 34.031 32.600 -0.396 0.000 1.586 303 M HN 0.900 nan 8.290 nan 0.000 0.461 304 A N 0.537 123.142 122.820 -0.358 0.000 1.930 304 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 304 A C 0.694 178.169 177.584 -0.182 0.000 1.175 304 A CA 1.501 53.409 52.037 -0.215 0.000 0.627 304 A CB -0.251 18.631 19.000 -0.196 0.000 0.815 304 A HN 0.803 nan 8.150 nan 0.000 0.443 305 D N -0.754 119.493 120.400 -0.254 0.000 2.485 305 D HA 0.575 5.215 4.640 -0.000 0.000 0.221 305 D C 0.850 177.076 176.300 -0.123 0.000 1.112 305 D CA 0.360 54.272 54.000 -0.147 0.000 0.911 305 D CB 0.883 41.622 40.800 -0.102 0.000 1.019 305 D HN 0.156 nan 8.370 nan 0.000 0.516 306 A N 2.420 125.186 122.820 -0.090 0.000 2.178 306 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 306 A C 1.938 179.501 177.584 -0.036 0.000 1.157 306 A CA 1.374 53.368 52.037 -0.071 0.000 0.689 306 A CB -0.324 18.641 19.000 -0.059 0.000 0.787 306 A HN 0.500 nan 8.150 nan 0.000 0.465 307 S N -0.965 114.723 115.700 -0.019 0.000 2.603 307 S HA 0.175 4.645 4.470 -0.000 0.000 0.220 307 S C 1.281 175.902 174.600 0.035 0.000 0.967 307 S CA 0.460 58.663 58.200 0.006 0.000 0.920 307 S CB -0.404 62.801 63.200 0.008 0.000 0.773 307 S HN 0.451 nan 8.310 nan 0.000 0.529 308 L N 0.645 121.898 121.223 0.051 0.000 2.567 308 L HA 0.193 4.533 4.340 -0.000 0.000 0.225 308 L C 1.688 178.661 176.870 0.172 0.000 1.119 308 L CA 0.130 55.056 54.840 0.144 0.000 0.871 308 L CB -0.249 41.958 42.059 0.247 0.000 1.036 308 L HN 0.133 nan 8.230 nan 0.000 0.459 309 D N 1.031 121.473 120.400 0.070 0.000 2.133 309 D HA -0.227 4.413 4.640 -0.000 0.000 0.192 309 D C 2.090 178.453 176.300 0.105 0.000 1.001 309 D CA 1.432 55.455 54.000 0.038 0.000 0.844 309 D CB 0.088 40.870 40.800 -0.030 0.000 0.944 309 D HN 0.213 nan 8.370 nan 0.000 0.447 310 K N -0.312 120.141 120.400 0.088 0.000 2.025 310 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 310 K C 2.078 178.755 176.600 0.129 0.000 1.049 310 K CA 0.377 56.716 56.287 0.086 0.000 0.933 310 K CB -0.246 32.290 32.500 0.060 0.000 0.714 310 K HN 0.037 nan 8.250 nan 0.000 0.438 311 L N 0.659 121.985 121.223 0.172 0.000 2.083 311 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 311 L C 1.970 179.002 176.870 0.270 0.000 1.083 311 L CA 1.489 56.467 54.840 0.231 0.000 0.752 311 L CB -0.462 41.749 42.059 0.255 0.000 0.899 311 L HN 0.113 nan 8.230 nan 0.000 0.433 312 F N -0.633 119.337 119.950 0.033 0.000 2.084 312 F HA -0.207 4.320 4.527 -0.000 0.000 0.296 312 F C 2.071 177.830 175.800 -0.068 0.000 1.111 312 F CA 1.763 59.577 58.000 -0.309 0.000 1.224 312 F CB -0.164 38.594 39.000 -0.404 0.000 0.991 312 F HN 0.016 nan 8.300 nan 0.000 0.471 313 L N -0.607 120.773 121.223 0.262 0.000 2.046 313 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 313 L C 2.776 179.642 176.870 -0.006 0.000 1.077 313 L CA 1.555 56.470 54.840 0.124 0.000 0.747 313 L CB -0.934 41.190 42.059 0.107 0.000 0.896 313 L HN 0.256 nan 8.230 nan 0.000 0.432 314 S N -0.616 115.106 115.700 0.037 0.000 2.355 314 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 314 S C 1.945 176.546 174.600 0.001 0.000 1.031 314 S CA 1.112 59.328 58.200 0.026 0.000 0.993 314 S CB -0.085 63.152 63.200 0.063 0.000 0.859 314 S HN 0.349 nan 8.310 nan 0.000 0.453 315 E N 1.371 121.602 120.200 0.052 0.000 2.110 315 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 315 E C 2.390 178.869 176.600 -0.201 0.000 0.988 315 E CA 1.087 57.547 56.400 0.099 0.000 0.804 315 E CB -0.744 29.192 29.700 0.393 0.000 0.745 315 E HN 0.594 nan 8.360 nan 0.000 0.458 316 A N 1.561 124.005 122.820 -0.626 0.000 1.883 316 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 316 A C 2.168 179.440 177.584 -0.519 0.000 1.186 316 A CA 1.956 53.257 52.037 -1.228 0.000 0.624 316 A CB -0.636 17.677 19.000 -1.145 0.000 0.822 316 A HN 0.324 nan 8.150 nan 0.000 0.444 317 E N -0.249 119.793 120.200 -0.264 0.000 2.070 317 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 317 E C 2.080 178.625 176.600 -0.092 0.000 1.004 317 E CA 1.176 57.503 56.400 -0.121 0.000 0.805 317 E CB -0.297 29.368 29.700 -0.059 0.000 0.744 317 E HN 0.551 nan 8.360 nan 0.000 0.451 318 A N 0.585 123.359 122.820 -0.077 0.000 2.076 318 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 318 A C 1.784 179.347 177.584 -0.034 0.000 1.160 318 A CA 1.333 53.351 52.037 -0.032 0.000 0.653 318 A CB -0.199 18.805 19.000 0.007 0.000 0.801 318 A HN 0.318 nan 8.150 nan 0.000 0.455 319 Q N -1.691 118.058 119.800 -0.085 0.000 2.247 319 Q HA 0.265 4.605 4.340 -0.000 0.000 0.204 319 Q C 0.935 176.912 176.000 -0.039 0.000 0.872 319 Q CA 0.584 56.355 55.803 -0.054 0.000 0.951 319 Q CB 0.506 29.187 28.738 -0.095 0.000 1.099 319 Q HN 0.968 nan 8.270 nan 0.000 0.501 320 G N 1.371 110.142 108.800 -0.048 0.000 2.141 320 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.231 320 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.231 320 G C -0.054 174.873 174.900 0.045 0.000 0.984 320 G CA -0.266 44.823 45.100 -0.019 0.000 0.660 320 G HN 0.283 nan 8.290 nan 0.000 0.525 321 L N 1.217 122.450 121.223 0.017 0.000 2.283 321 L HA 0.500 4.840 4.340 -0.000 0.000 0.281 321 L C 0.465 177.415 176.870 0.133 0.000 1.033 321 L CA -0.572 54.364 54.840 0.161 0.000 0.848 321 L CB 1.008 43.051 42.059 -0.026 0.000 1.226 321 L HN 0.235 nan 8.230 nan 0.000 0.429 322 Q N 2.321 122.258 119.800 0.228 0.000 2.241 322 Q HA 0.708 5.048 4.340 -0.000 0.000 0.262 322 Q C 0.372 176.497 176.000 0.208 0.000 1.014 322 Q CA -0.821 55.066 55.803 0.139 0.000 0.885 322 Q CB 2.300 31.080 28.738 0.070 0.000 1.311 322 Q HN 0.662 nan 8.270 nan 0.000 0.461 323 A N 1.132 124.027 122.820 0.124 0.000 2.578 323 A HA -0.175 4.145 4.320 -0.000 0.000 0.298 323 A C -0.019 177.650 177.584 0.141 0.000 1.472 323 A CA 0.535 52.644 52.037 0.119 0.000 0.734 323 A CB -1.978 17.096 19.000 0.123 0.000 1.091 323 A HN 0.710 nan 8.150 nan 0.000 0.426 324 L N -0.874 120.400 121.223 0.085 0.000 2.766 324 L HA 0.190 4.530 4.340 -0.000 0.000 0.242 324 L C 1.121 177.970 176.870 -0.036 0.000 1.136 324 L CA 0.047 54.903 54.840 0.026 0.000 0.933 324 L CB 0.227 42.288 42.059 0.002 0.000 1.241 324 L HN 0.527 nan 8.230 nan 0.000 0.522 325 K N 1.082 121.475 120.400 -0.011 0.000 2.448 325 K HA 0.187 4.507 4.320 -0.000 0.000 0.278 325 K C 0.754 177.318 176.600 -0.060 0.000 1.009 325 K CA 0.066 56.327 56.287 -0.043 0.000 0.995 325 K CB 0.863 33.352 32.500 -0.019 0.000 0.917 325 K HN 0.102 nan 8.250 nan 0.000 0.481 326 G N 1.813 110.551 108.800 -0.104 0.000 2.525 326 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.276 326 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.276 326 G C -0.761 174.134 174.900 -0.008 0.000 1.388 326 G CA -0.191 44.864 45.100 -0.075 0.000 1.050 326 G HN 0.807 nan 8.290 nan 0.000 0.520 327 H N -1.493 117.531 119.070 -0.077 0.000 2.482 327 H HA 0.428 4.984 4.556 -0.000 0.000 0.344 327 H C 1.679 176.969 175.328 -0.064 0.000 1.151 327 H CA -0.500 55.505 56.048 -0.071 0.000 1.300 327 H CB 1.210 30.922 29.762 -0.082 0.000 1.494 327 H HN 0.337 nan 8.280 nan 0.000 0.542 328 R N 2.190 122.380 120.500 -0.517 0.000 2.119 328 R HA -0.059 4.281 4.340 -0.000 0.000 0.222 328 R C 1.966 178.202 176.300 -0.106 0.000 1.088 328 R CA 1.077 57.021 56.100 -0.261 0.000 0.984 328 R CB -0.048 30.087 30.300 -0.274 0.000 0.884 328 R HN 0.412 nan 8.270 nan 0.000 0.447 329 V N 1.137 121.050 119.914 -0.002 0.000 2.324 329 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 329 V C 2.319 178.457 176.094 0.074 0.000 1.060 329 V CA 2.272 64.636 62.300 0.107 0.000 1.042 329 V CB -0.584 31.369 31.823 0.217 0.000 0.650 329 V HN 0.434 nan 8.190 nan 0.000 0.450 330 A N -1.717 121.162 122.820 0.098 0.000 1.997 330 A HA 0.460 4.780 4.320 -0.000 0.000 0.212 330 A C 1.693 179.270 177.584 -0.011 0.000 1.178 330 A CA 1.366 53.427 52.037 0.039 0.000 0.698 330 A CB -0.446 18.581 19.000 0.045 0.000 0.842 330 A HN 1.093 nan 8.150 nan 0.000 0.458 331 G N -1.334 107.449 108.800 -0.030 0.000 2.552 331 G HA2 0.209 4.169 3.960 -0.000 0.000 0.265 331 G HA3 0.209 4.169 3.960 -0.000 0.000 0.265 331 G C 1.388 176.226 174.900 -0.103 0.000 1.234 331 G CA 0.686 45.746 45.100 -0.067 0.000 0.944 331 G HN 2.300 nan 8.290 nan 0.000 0.568 332 G N -1.792 106.924 108.800 -0.140 0.000 2.582 332 G HA2 0.129 4.089 3.960 -0.000 0.000 0.288 332 G HA3 0.129 4.089 3.960 -0.000 0.000 0.288 332 G C 0.077 174.777 174.900 -0.334 0.000 1.247 332 G CA 1.843 46.798 45.100 -0.241 0.000 0.972 332 G HN 1.805 nan 8.290 nan 0.000 0.557 333 M N -0.297 118.956 119.600 -0.577 0.000 2.716 333 M HA 0.784 5.264 4.480 -0.000 0.000 0.307 333 M C 0.177 176.158 176.300 -0.533 0.000 1.223 333 M CA -0.650 54.236 55.300 -0.690 0.000 0.871 333 M CB 2.244 34.026 32.600 -1.364 0.000 1.739 333 M HN 0.785 nan 8.290 nan 0.000 0.475 334 R N 0.588 120.899 120.500 -0.316 0.000 2.515 334 R HA 0.820 5.160 4.340 -0.000 0.000 0.291 334 R C -1.901 174.363 176.300 -0.059 0.000 1.046 334 R CA -0.419 55.596 56.100 -0.141 0.000 0.914 334 R CB 1.296 31.572 30.300 -0.041 0.000 1.191 334 R HN 0.859 nan 8.270 nan 0.000 0.435 335 A N 3.041 125.857 122.820 -0.007 0.000 2.249 335 A HA 0.487 4.807 4.320 -0.000 0.000 0.314 335 A C -0.681 176.923 177.584 0.034 0.000 1.290 335 A CA -0.489 51.548 52.037 0.000 0.000 0.893 335 A CB 1.119 20.035 19.000 -0.141 0.000 1.165 335 A HN 0.661 nan 8.150 nan 0.000 0.530 336 S N 2.073 117.809 115.700 0.059 0.000 2.480 336 S HA 0.567 5.037 4.470 -0.000 0.000 0.286 336 S C 0.108 174.642 174.600 -0.111 0.000 1.180 336 S CA -0.393 57.693 58.200 -0.190 0.000 1.075 336 S CB 0.539 63.541 63.200 -0.331 0.000 0.996 336 S HN 0.763 nan 8.310 nan 0.000 0.487 337 I N -0.098 120.340 120.570 -0.221 0.000 2.925 337 I HA 0.441 4.611 4.170 -0.000 0.000 0.296 337 I C -1.113 174.990 176.117 -0.023 0.000 1.413 337 I CA -0.846 60.438 61.300 -0.027 0.000 0.932 337 I CB -0.147 37.885 38.000 0.052 0.000 1.873 337 I HN 0.344 nan 8.210 nan 0.000 0.619 338 Y N 1.450 121.818 120.300 0.114 0.000 2.188 338 Y HA 0.206 4.756 4.550 -0.000 0.000 0.360 338 Y C 1.841 177.814 175.900 0.120 0.000 1.324 338 Y CA 0.085 58.253 58.100 0.113 0.000 1.726 338 Y CB 0.115 38.624 38.460 0.082 0.000 1.536 338 Y HN 0.332 nan 8.280 nan 0.000 0.628 339 N N 0.174 119.077 118.700 0.338 0.000 2.094 339 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 339 N C 1.758 177.445 175.510 0.295 0.000 1.023 339 N CA 1.681 54.912 53.050 0.302 0.000 0.857 339 N CB -0.696 37.985 38.487 0.325 0.000 1.013 339 N HN 0.708 nan 8.380 nan 0.000 0.426 340 A N 0.275 123.193 122.820 0.163 0.000 1.972 340 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 340 A C 1.212 178.836 177.584 0.067 0.000 1.169 340 A CA 0.554 52.587 52.037 -0.006 0.000 0.635 340 A CB -0.401 18.526 19.000 -0.123 0.000 0.810 340 A HN 0.305 nan 8.150 nan 0.000 0.446 341 M N 1.937 121.594 119.600 0.095 0.000 2.307 341 M HA 0.236 4.716 4.480 -0.000 0.000 0.346 341 M C -2.358 173.992 176.300 0.084 0.000 1.552 341 M CA -2.611 52.723 55.300 0.056 0.000 1.116 341 M CB 0.450 33.056 32.600 0.011 0.000 1.889 341 M HN 0.041 nan 8.290 nan 0.000 0.460 342 P HA 0.075 nan 4.420 nan 0.000 0.276 342 P C 0.702 177.994 177.300 -0.013 0.000 1.252 342 P CA -0.359 62.784 63.100 0.071 0.000 0.802 342 P CB 0.617 32.383 31.700 0.109 0.000 1.035 343 I N 1.315 121.884 120.570 -0.001 0.000 2.264 343 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 343 I C 1.830 177.903 176.117 -0.074 0.000 1.111 343 I CA 1.859 63.140 61.300 -0.031 0.000 1.382 343 I CB -0.800 37.191 38.000 -0.016 0.000 1.060 343 I HN 0.295 nan 8.210 nan 0.000 0.418 344 E N 0.318 120.477 120.200 -0.068 0.000 2.160 344 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 344 E C 2.256 178.644 176.600 -0.353 0.000 0.991 344 E CA 1.264 57.606 56.400 -0.097 0.000 0.810 344 E CB -0.826 28.892 29.700 0.029 0.000 0.742 344 E HN 0.622 nan 8.360 nan 0.000 0.466 345 G N 0.054 108.471 108.800 -0.639 0.000 2.404 345 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 345 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 345 G C 1.674 176.324 174.900 -0.416 0.000 1.174 345 G CA 0.888 45.214 45.100 -1.290 0.000 0.780 345 G HN 0.215 nan 8.290 nan 0.000 0.537 346 V N 0.767 120.587 119.914 -0.158 0.000 2.515 346 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 346 V C 2.604 178.663 176.094 -0.058 0.000 1.058 346 V CA 2.009 64.297 62.300 -0.020 0.000 1.064 346 V CB -0.229 31.579 31.823 -0.025 0.000 0.675 346 V HN 0.324 nan 8.190 nan 0.000 0.461 347 K N 1.519 121.870 120.400 -0.081 0.000 2.057 347 K HA -0.030 4.290 4.320 -0.000 0.000 0.206 347 K C 2.102 178.696 176.600 -0.010 0.000 1.050 347 K CA 1.658 57.919 56.287 -0.043 0.000 0.935 347 K CB -0.716 31.764 32.500 -0.033 0.000 0.715 347 K HN 0.353 nan 8.250 nan 0.000 0.439 348 A N 0.569 123.375 122.820 -0.024 0.000 1.972 348 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 348 A C 2.066 179.712 177.584 0.103 0.000 1.169 348 A CA 1.617 53.694 52.037 0.066 0.000 0.635 348 A CB -0.653 18.420 19.000 0.121 0.000 0.810 348 A HN 0.382 nan 8.150 nan 0.000 0.446 349 L N 0.412 121.670 121.223 0.060 0.000 2.072 349 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 349 L C 2.648 179.554 176.870 0.059 0.000 1.079 349 L CA 2.990 57.849 54.840 0.032 0.000 0.752 349 L CB -1.123 40.841 42.059 -0.159 0.000 0.906 349 L HN 0.524 nan 8.230 nan 0.000 0.436 350 T N -4.040 110.510 114.554 -0.008 0.000 2.821 350 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 350 T C 1.679 176.399 174.700 0.033 0.000 1.046 350 T CA 1.140 63.223 62.100 -0.028 0.000 1.139 350 T CB -0.663 68.169 68.868 -0.060 0.000 0.871 350 T HN 0.280 nan 8.240 nan 0.000 0.454 351 D N 0.744 121.180 120.400 0.061 0.000 2.104 351 D HA -0.037 4.603 4.640 -0.000 0.000 0.194 351 D C 1.575 177.944 176.300 0.115 0.000 0.994 351 D CA 0.817 54.863 54.000 0.077 0.000 0.830 351 D CB -0.593 40.259 40.800 0.086 0.000 0.959 351 D HN 0.445 nan 8.370 nan 0.000 0.452 352 F N 0.935 120.899 119.950 0.022 0.000 2.134 352 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 352 F C 2.312 178.170 175.800 0.097 0.000 1.097 352 F CA 1.271 59.288 58.000 0.028 0.000 1.264 352 F CB -0.254 38.720 39.000 -0.044 0.000 1.001 352 F HN -0.142 nan 8.300 nan 0.000 0.479 353 M N -0.036 119.611 119.600 0.078 0.000 2.213 353 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 353 M C 2.374 178.783 176.300 0.182 0.000 1.062 353 M CA 1.620 56.996 55.300 0.126 0.000 1.105 353 M CB -0.651 31.908 32.600 -0.069 0.000 1.385 353 M HN 0.335 nan 8.290 nan 0.000 0.417 354 A N 0.041 122.902 122.820 0.067 0.000 1.929 354 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 354 A C 1.710 179.276 177.584 -0.029 0.000 1.176 354 A CA 2.026 54.089 52.037 0.042 0.000 0.628 354 A CB -0.776 18.236 19.000 0.020 0.000 0.816 354 A HN 0.535 nan 8.150 nan 0.000 0.444 355 D N -1.573 118.788 120.400 -0.064 0.000 2.117 355 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 355 D C 1.642 177.857 176.300 -0.142 0.000 0.982 355 D CA 1.285 55.226 54.000 -0.098 0.000 0.828 355 D CB -0.226 40.529 40.800 -0.074 0.000 0.967 355 D HN 0.378 nan 8.370 nan 0.000 0.464 356 F N 1.000 120.748 119.950 -0.336 0.000 2.113 356 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 356 F C 2.329 177.969 175.800 -0.267 0.000 1.103 356 F CA 1.312 59.170 58.000 -0.236 0.000 1.248 356 F CB -0.095 38.746 39.000 -0.264 0.000 0.999 356 F HN -0.068 nan 8.300 nan 0.000 0.475 357 E N 0.779 120.821 120.200 -0.263 0.000 2.110 357 E HA -0.272 4.077 4.350 -0.000 0.000 0.193 357 E C 2.397 178.656 176.600 -0.568 0.000 0.988 357 E CA 1.130 57.011 56.400 -0.865 0.000 0.804 357 E CB -0.353 28.978 29.700 -0.614 0.000 0.745 357 E HN 0.403 nan 8.360 nan 0.000 0.458 358 R N 0.249 120.550 120.500 -0.331 0.000 2.083 358 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 358 R C 2.644 178.746 176.300 -0.329 0.000 1.137 358 R CA 1.787 57.731 56.100 -0.260 0.000 0.951 358 R CB -0.038 30.157 30.300 -0.176 0.000 0.851 358 R HN 0.078 nan 8.270 nan 0.000 0.434 359 R N -1.292 118.943 120.500 -0.442 0.000 2.070 359 R HA -0.100 4.240 4.340 -0.000 0.000 0.233 359 R C 1.562 177.433 176.300 -0.715 0.000 1.137 359 R CA 1.496 57.211 56.100 -0.641 0.000 0.945 359 R CB -0.166 29.563 30.300 -0.952 0.000 0.845 359 R HN 0.458 nan 8.270 nan 0.000 0.430 360 H N -1.227 117.585 119.070 -0.430 0.000 2.755 360 H HA 0.234 4.790 4.556 -0.000 0.000 0.273 360 H C 0.801 176.055 175.328 -0.123 0.000 1.055 360 H CA 0.188 56.069 56.048 -0.278 0.000 1.191 360 H CB 0.601 30.166 29.762 -0.329 0.000 1.536 360 H HN 0.189 nan 8.280 nan 0.000 0.529 361 G N 0.000 108.659 108.800 -0.234 0.000 5.446 361 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 361 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 361 G CA 0.000 45.036 45.100 -0.107 0.000 0.502 361 G HN 0.000 nan 8.290 nan 0.000 0.925