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 3ej1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLXXX TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.324 55.300 0.039 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.049 0.000 1.302 2 E N 0.120 120.304 120.200 -0.027 0.000 2.427 2 E HA 0.160 4.510 4.350 -0.000 0.000 0.196 2 E C 0.885 177.426 176.600 -0.099 0.000 1.028 2 E CA 0.755 57.124 56.400 -0.052 0.000 0.864 2 E CB -0.185 29.486 29.700 -0.048 0.000 0.813 2 E HN 0.420 nan 8.360 nan 0.000 0.514 3 N N -0.065 118.522 118.700 -0.188 0.000 2.383 3 N HA 0.044 4.784 4.740 -0.000 0.000 0.192 3 N C -0.866 174.344 175.510 -0.500 0.000 1.141 3 N CA 0.304 53.146 53.050 -0.347 0.000 0.851 3 N CB 0.207 38.422 38.487 -0.453 0.000 0.976 3 N HN 0.053 nan 8.380 nan 0.000 0.465 4 F N 0.357 120.240 119.950 -0.111 0.000 2.469 4 F HA 0.351 4.878 4.527 -0.000 0.000 0.332 4 F C 0.520 176.249 175.800 -0.118 0.000 1.103 4 F CA -1.080 56.847 58.000 -0.122 0.000 0.979 4 F CB 1.600 40.500 39.000 -0.167 0.000 1.137 4 F HN -0.248 nan 8.300 nan 0.000 0.463 5 Q N 3.527 123.393 119.800 0.110 0.000 2.325 5 Q HA 0.328 4.668 4.340 -0.000 0.000 0.262 5 Q C -0.941 175.075 176.000 0.026 0.000 0.968 5 Q CA -0.561 55.261 55.803 0.032 0.000 0.877 5 Q CB 1.050 29.792 28.738 0.007 0.000 1.253 5 Q HN 0.471 nan 8.270 nan 0.000 0.448 6 K N 2.554 122.946 120.400 -0.014 0.000 2.350 6 K HA 0.158 4.478 4.320 -0.000 0.000 0.279 6 K C -0.096 176.521 176.600 0.029 0.000 1.027 6 K CA -0.190 56.090 56.287 -0.010 0.000 0.969 6 K CB 1.140 33.588 32.500 -0.086 0.000 0.954 6 K HN 0.522 nan 8.250 nan 0.000 0.474 7 V N 1.749 121.699 119.914 0.059 0.000 2.854 7 V HA 0.001 4.121 4.120 -0.000 0.000 0.236 7 V C -0.011 176.128 176.094 0.075 0.000 1.157 7 V CA 0.717 63.039 62.300 0.037 0.000 1.187 7 V CB 0.084 31.895 31.823 -0.019 0.000 0.949 7 V HN 0.973 nan 8.190 nan 0.000 0.488 8 E N -0.820 119.455 120.200 0.126 0.000 2.392 8 E HA 0.304 4.654 4.350 -0.000 0.000 0.281 8 E C -1.185 175.490 176.600 0.125 0.000 1.088 8 E CA -0.879 55.598 56.400 0.128 0.000 0.850 8 E CB 1.473 31.213 29.700 0.067 0.000 1.267 8 E HN 0.028 nan 8.360 nan 0.000 0.438 9 K N 1.801 122.210 120.400 0.013 0.000 2.412 9 K HA 0.180 4.500 4.320 -0.000 0.000 0.281 9 K C 0.545 177.094 176.600 -0.085 0.000 1.027 9 K CA 0.242 56.402 56.287 -0.212 0.000 0.989 9 K CB 0.314 32.656 32.500 -0.263 0.000 0.935 9 K HN 0.618 nan 8.250 nan 0.000 0.475 10 I N -0.097 120.423 120.570 -0.082 0.000 4.439 10 I HA 0.374 4.544 4.170 -0.000 0.000 0.331 10 I C 0.462 176.552 176.117 -0.044 0.000 1.345 10 I CA -0.621 60.676 61.300 -0.005 0.000 1.193 10 I CB 1.292 39.353 38.000 0.101 0.000 1.221 10 I HN 0.472 nan 8.210 nan 0.000 0.429 11 G N 0.651 109.394 108.800 -0.096 0.000 2.718 11 G HA2 0.706 4.666 3.960 -0.000 0.000 0.295 11 G HA3 0.706 4.666 3.960 -0.000 0.000 0.295 11 G C -1.244 173.588 174.900 -0.114 0.000 1.421 11 G CA 0.314 45.358 45.100 -0.093 0.000 0.902 11 G HN 0.259 nan 8.290 nan 0.000 0.501 12 E N -1.341 118.808 120.200 -0.086 0.000 2.586 12 E HA 0.967 5.317 4.350 -0.000 0.000 0.232 12 E C 0.524 177.088 176.600 -0.060 0.000 0.854 12 E CA -0.515 55.839 56.400 -0.077 0.000 0.938 12 E CB 1.150 30.814 29.700 -0.061 0.000 1.518 12 E HN 2.580 nan 8.360 nan 0.000 0.400 13 G N -2.051 106.721 108.800 -0.048 0.000 2.375 13 G HA2 0.203 4.163 3.960 -0.000 0.000 0.663 13 G HA3 0.203 4.163 3.960 -0.000 0.000 0.663 13 G C 0.662 175.546 174.900 -0.027 0.000 1.391 13 G CA 0.735 45.812 45.100 -0.038 0.000 0.949 13 G HN 1.099 nan 8.290 nan 0.000 0.646 14 T N -0.544 113.997 114.554 -0.023 0.000 2.821 14 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 14 T C 2.589 177.284 174.700 -0.010 0.000 1.046 14 T CA 3.572 65.663 62.100 -0.016 0.000 1.139 14 T CB -0.648 68.211 68.868 -0.015 0.000 0.871 14 T HN 1.725 nan 8.240 nan 0.000 0.454 15 Y N 0.208 120.503 120.300 -0.008 0.000 2.256 15 Y HA 0.337 4.887 4.550 -0.000 0.000 0.288 15 Y C 1.488 177.391 175.900 0.005 0.000 1.155 15 Y CA 0.968 59.069 58.100 0.001 0.000 1.203 15 Y CB -0.793 37.670 38.460 0.006 0.000 0.980 15 Y HN 0.729 nan 8.280 nan 0.000 0.530 16 G N -2.908 105.892 108.800 0.000 0.000 2.341 16 G HA2 0.420 4.380 3.960 -0.000 0.000 0.293 16 G HA3 0.420 4.380 3.960 -0.000 0.000 0.293 16 G C -1.545 173.357 174.900 0.002 0.000 1.298 16 G CA -0.249 44.855 45.100 0.007 0.000 0.868 16 G HN 0.702 nan 8.290 nan 0.000 0.540 17 V N -0.115 119.813 119.914 0.024 0.000 2.509 17 V HA 0.599 4.719 4.120 -0.000 0.000 0.284 17 V C 0.312 176.406 176.094 0.001 0.000 1.047 17 V CA -0.693 61.587 62.300 -0.032 0.000 0.952 17 V CB 1.339 33.151 31.823 -0.019 0.000 0.988 17 V HN 0.697 nan 8.190 nan 0.000 0.469 18 V N 5.270 125.118 119.914 -0.110 0.000 2.384 18 V HA 0.444 4.564 4.120 -0.000 0.000 0.287 18 V C -0.864 175.164 176.094 -0.110 0.000 1.020 18 V CA -0.600 61.695 62.300 -0.008 0.000 0.850 18 V CB 1.014 32.830 31.823 -0.012 0.000 0.987 18 V HN 0.727 nan 8.190 nan 0.000 0.436 19 Y N 2.803 123.158 120.300 0.093 0.000 2.387 19 Y HA 0.460 5.010 4.550 -0.000 0.000 0.336 19 Y C 0.445 176.404 175.900 0.098 0.000 1.067 19 Y CA -0.893 57.258 58.100 0.084 0.000 1.114 19 Y CB 1.357 39.862 38.460 0.075 0.000 1.208 19 Y HN 0.499 nan 8.280 nan 0.000 0.458 20 K N 2.136 122.677 120.400 0.235 0.000 2.322 20 K HA 0.706 5.026 4.320 -0.000 0.000 0.283 20 K C -0.958 175.686 176.600 0.074 0.000 1.042 20 K CA -0.117 56.257 56.287 0.144 0.000 0.958 20 K CB 0.333 32.849 32.500 0.028 0.000 0.984 20 K HN 0.837 nan 8.250 nan 0.000 0.473 21 A N 4.258 127.086 122.820 0.014 0.000 2.566 21 A HA 0.589 4.909 4.320 -0.000 0.000 0.292 21 A C -1.344 176.254 177.584 0.023 0.000 1.112 21 A CA -0.899 51.149 52.037 0.018 0.000 0.707 21 A CB 1.575 20.573 19.000 -0.004 0.000 1.302 21 A HN 0.812 nan 8.150 nan 0.000 0.409 22 R N 0.956 121.501 120.500 0.075 0.000 2.534 22 R HA 0.306 4.646 4.340 -0.000 0.000 0.301 22 R C -0.843 175.541 176.300 0.140 0.000 0.961 22 R CA -0.750 55.392 56.100 0.071 0.000 0.871 22 R CB 1.186 31.482 30.300 -0.007 0.000 1.170 22 R HN 0.789 nan 8.270 nan 0.000 0.446 23 N N 3.269 122.037 118.700 0.112 0.000 2.406 23 N HA -0.027 4.713 4.740 -0.000 0.000 0.265 23 N C 0.206 175.640 175.510 -0.128 0.000 1.203 23 N CA 0.517 53.508 53.050 -0.098 0.000 0.945 23 N CB 0.839 39.276 38.487 -0.083 0.000 1.165 23 N HN 0.562 nan 8.380 nan 0.000 0.485 24 K N 2.888 123.186 120.400 -0.171 0.000 2.280 24 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 24 K C 1.207 177.738 176.600 -0.115 0.000 1.047 24 K CA 0.952 57.167 56.287 -0.120 0.000 0.942 24 K CB 0.344 32.773 32.500 -0.118 0.000 0.739 24 K HN 0.550 nan 8.250 nan 0.000 0.457 25 L N -0.588 120.547 121.223 -0.147 0.000 2.362 25 L HA -0.036 4.304 4.340 -0.000 0.000 0.204 25 L C 2.433 179.251 176.870 -0.087 0.000 1.060 25 L CA 0.998 55.768 54.840 -0.116 0.000 0.827 25 L CB -0.067 41.910 42.059 -0.137 0.000 1.027 25 L HN 0.199 nan 8.230 nan 0.000 0.474 26 T N -4.453 110.047 114.554 -0.090 0.000 3.037 26 T HA 0.239 4.589 4.350 -0.000 0.000 0.251 26 T C 1.504 176.181 174.700 -0.038 0.000 1.079 26 T CA 0.666 62.733 62.100 -0.056 0.000 1.067 26 T CB 0.853 69.692 68.868 -0.048 0.000 0.948 26 T HN 0.401 nan 8.240 nan 0.000 0.496 27 G N 1.470 110.245 108.800 -0.042 0.000 2.217 27 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.246 27 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.246 27 G C -0.084 174.809 174.900 -0.012 0.000 0.990 27 G CA 0.232 45.315 45.100 -0.028 0.000 0.627 27 G HN 0.902 nan 8.290 nan 0.000 0.522 28 E N 0.898 121.101 120.200 0.004 0.000 2.465 28 E HA 0.333 4.683 4.350 -0.000 0.000 0.260 28 E C 0.370 176.997 176.600 0.044 0.000 0.980 28 E CA -0.201 56.217 56.400 0.030 0.000 0.927 28 E CB 0.533 30.263 29.700 0.051 0.000 0.934 28 E HN 0.213 nan 8.360 nan 0.000 0.459 29 V N 5.783 125.706 119.914 0.015 0.000 2.498 29 V HA 0.277 4.397 4.120 -0.000 0.000 0.279 29 V C 0.317 176.444 176.094 0.055 0.000 1.048 29 V CA -0.310 61.967 62.300 -0.039 0.000 0.967 29 V CB 0.898 32.606 31.823 -0.192 0.000 0.988 29 V HN 0.572 nan 8.190 nan 0.000 0.473 30 V N 1.745 121.699 119.914 0.067 0.000 3.130 30 V HA 1.009 5.129 4.120 -0.000 0.000 0.310 30 V C -0.196 176.030 176.094 0.220 0.000 1.158 30 V CA -1.119 61.274 62.300 0.155 0.000 1.029 30 V CB 1.991 33.858 31.823 0.074 0.000 1.057 30 V HN 1.013 nan 8.190 nan 0.000 0.436 31 A N 2.725 125.716 122.820 0.285 0.000 2.258 31 A HA 0.818 5.138 4.320 -0.000 0.000 0.316 31 A C -0.538 177.199 177.584 0.254 0.000 1.279 31 A CA -0.573 51.638 52.037 0.290 0.000 0.876 31 A CB 0.264 19.408 19.000 0.241 0.000 1.170 31 A HN 0.909 nan 8.150 nan 0.000 0.520 32 L N 2.224 123.565 121.223 0.197 0.000 2.312 32 L HA 0.432 4.772 4.340 -0.000 0.000 0.281 32 L C 0.476 177.546 176.870 0.333 0.000 1.070 32 L CA -0.350 54.604 54.840 0.189 0.000 0.805 32 L CB 1.484 43.592 42.059 0.081 0.000 1.174 32 L HN 0.706 nan 8.230 nan 0.000 0.434 33 K N 4.452 125.060 120.400 0.347 0.000 2.389 33 K HA 0.252 4.572 4.320 -0.000 0.000 0.261 33 K C -0.657 176.047 176.600 0.174 0.000 1.014 33 K CA -0.626 55.838 56.287 0.295 0.000 0.920 33 K CB 0.986 33.723 32.500 0.395 0.000 1.149 33 K HN 0.392 nan 8.250 nan 0.000 0.444 34 K N 5.092 125.565 120.400 0.122 0.000 2.205 34 K HA 0.318 4.638 4.320 -0.000 0.000 0.279 34 K C -0.918 175.600 176.600 -0.138 0.000 1.027 34 K CA -0.424 55.752 56.287 -0.186 0.000 0.932 34 K CB 0.671 33.115 32.500 -0.093 0.000 1.032 34 K HN 0.548 nan 8.250 nan 0.000 0.466 35 I N 2.989 123.416 120.570 -0.237 0.000 2.499 35 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 35 I C 0.297 176.326 176.117 -0.147 0.000 1.048 35 I CA -0.568 60.654 61.300 -0.130 0.000 1.062 35 I CB 1.895 39.848 38.000 -0.078 0.000 1.238 35 I HN 0.680 nan 8.210 nan 0.000 0.426 36 R N 6.322 126.769 120.500 -0.088 0.000 2.531 36 R HA 0.870 5.210 4.340 -0.000 0.000 0.273 36 R C -0.969 175.303 176.300 -0.047 0.000 1.070 36 R CA 0.009 56.069 56.100 -0.067 0.000 1.112 36 R CB 0.380 30.658 30.300 -0.036 0.000 1.049 36 R HN 0.680 nan 8.270 nan 0.000 0.508 42 E N 1.481 121.682 120.200 0.003 0.000 2.887 42 E HA 0.419 4.769 4.350 -0.000 0.000 0.206 42 E C 1.209 177.812 176.600 0.005 0.000 0.983 42 E CA 0.397 56.800 56.400 0.005 0.000 1.141 42 E CB 0.840 30.544 29.700 0.007 0.000 1.061 42 E HN 1.299 nan 8.360 nan 0.000 0.468 43 G N 0.645 109.446 108.800 0.003 0.000 2.562 43 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.250 43 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.250 43 G C 0.033 174.934 174.900 0.001 0.000 1.269 43 G CA -0.253 44.849 45.100 0.002 0.000 0.919 43 G HN 0.103 nan 8.290 nan 0.000 0.574 44 V N 3.139 123.054 119.914 0.002 0.000 2.521 44 V HA 0.364 4.484 4.120 -0.000 0.000 0.286 44 V C -1.276 174.820 176.094 0.005 0.000 1.034 44 V CA -0.280 62.020 62.300 0.001 0.000 1.045 44 V CB 0.891 32.715 31.823 0.002 0.000 0.974 44 V HN 0.647 nan 8.190 nan 0.000 0.480 45 P HA 0.078 nan 4.420 nan 0.000 0.268 45 P C 0.981 178.289 177.300 0.014 0.000 1.205 45 P CA 0.082 63.187 63.100 0.008 0.000 0.771 45 P CB 0.646 32.350 31.700 0.007 0.000 0.858 46 S N 1.688 117.399 115.700 0.018 0.000 2.374 46 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 46 S C 1.792 176.407 174.600 0.026 0.000 1.037 46 S CA 2.095 60.309 58.200 0.023 0.000 1.024 46 S CB -1.920 61.295 63.200 0.025 0.000 0.861 46 S HN 0.612 nan 8.310 nan 0.000 0.456 47 T N 0.090 114.659 114.554 0.025 0.000 2.833 47 T HA 0.123 4.473 4.350 -0.000 0.000 0.269 47 T C 1.955 176.679 174.700 0.040 0.000 1.054 47 T CA 1.249 63.367 62.100 0.029 0.000 1.135 47 T CB -0.884 67.997 68.868 0.022 0.000 0.869 47 T HN 0.636 nan 8.240 nan 0.000 0.466 48 A N 0.932 123.773 122.820 0.034 0.000 1.970 48 A HA 0.278 4.598 4.320 -0.000 0.000 0.216 48 A C 2.321 179.924 177.584 0.032 0.000 1.170 48 A CA 0.765 52.825 52.037 0.038 0.000 0.645 48 A CB -0.661 18.352 19.000 0.022 0.000 0.816 48 A HN 0.556 nan 8.150 nan 0.000 0.447 49 I N -0.614 119.972 120.570 0.026 0.000 2.202 49 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 49 I C 2.747 178.881 176.117 0.028 0.000 1.091 49 I CA 1.151 62.464 61.300 0.022 0.000 1.368 49 I CB -0.214 37.798 38.000 0.020 0.000 1.058 49 I HN 0.272 nan 8.210 nan 0.000 0.410 50 R N 0.251 120.774 120.500 0.039 0.000 2.066 50 R HA -0.201 4.139 4.340 -0.000 0.000 0.232 50 R C 2.203 178.542 176.300 0.064 0.000 1.131 50 R CA 1.540 57.671 56.100 0.050 0.000 0.955 50 R CB -0.498 29.835 30.300 0.055 0.000 0.851 50 R HN 0.429 nan 8.270 nan 0.000 0.432 51 E N 1.128 121.376 120.200 0.080 0.000 2.058 51 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 51 E C 1.961 178.593 176.600 0.053 0.000 0.997 51 E CA 1.234 57.703 56.400 0.114 0.000 0.801 51 E CB -0.017 29.776 29.700 0.156 0.000 0.746 51 E HN 0.264 nan 8.360 nan 0.000 0.450 52 I N 0.868 121.453 120.570 0.026 0.000 2.110 52 I HA -0.282 3.888 4.170 -0.000 0.000 0.236 52 I C 2.778 178.878 176.117 -0.028 0.000 1.068 52 I CA 1.407 62.695 61.300 -0.019 0.000 1.333 52 I CB -0.479 37.505 38.000 -0.025 0.000 1.054 52 I HN 0.196 nan 8.210 nan 0.000 0.402 53 S N 1.248 116.942 115.700 -0.010 0.000 2.400 53 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 53 S C 1.971 176.560 174.600 -0.018 0.000 1.025 53 S CA 1.128 59.322 58.200 -0.011 0.000 0.993 53 S CB -0.881 62.320 63.200 0.002 0.000 0.808 53 S HN 0.388 nan 8.310 nan 0.000 0.478 54 L N 0.377 121.591 121.223 -0.015 0.000 2.068 54 L HA 0.123 4.463 4.340 -0.000 0.000 0.204 54 L C 2.659 179.462 176.870 -0.112 0.000 1.076 54 L CA 0.867 55.690 54.840 -0.029 0.000 0.753 54 L CB -0.551 41.528 42.059 0.033 0.000 0.910 54 L HN 0.283 nan 8.230 nan 0.000 0.439 55 L N -0.091 121.026 121.223 -0.177 0.000 2.127 55 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 55 L C 2.545 179.332 176.870 -0.138 0.000 1.089 55 L CA 1.263 55.956 54.840 -0.246 0.000 0.757 55 L CB -0.410 41.521 42.059 -0.213 0.000 0.899 55 L HN 0.235 nan 8.230 nan 0.000 0.434 56 K N -0.233 120.112 120.400 -0.092 0.000 2.280 56 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 56 K C 1.798 178.373 176.600 -0.041 0.000 1.047 56 K CA 1.043 57.293 56.287 -0.062 0.000 0.942 56 K CB 0.025 32.497 32.500 -0.047 0.000 0.739 56 K HN 0.488 nan 8.250 nan 0.000 0.457 57 E N 0.512 120.689 120.200 -0.040 0.000 2.140 57 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 57 E C 0.497 177.093 176.600 -0.007 0.000 0.973 57 E CA 0.413 56.804 56.400 -0.015 0.000 0.829 57 E CB 0.126 29.819 29.700 -0.012 0.000 0.781 57 E HN 0.221 nan 8.360 nan 0.000 0.466 58 L N 3.235 124.444 121.223 -0.024 0.000 2.387 58 L HA 0.198 4.538 4.340 -0.000 0.000 0.267 58 L C 0.066 176.923 176.870 -0.021 0.000 1.197 58 L CA -0.496 54.388 54.840 0.075 0.000 1.070 58 L CB -0.477 41.589 42.059 0.012 0.000 1.349 58 L HN -0.093 nan 8.230 nan 0.000 0.422 59 N N 2.993 121.681 118.700 -0.021 0.000 2.420 59 N HA 0.223 4.963 4.740 -0.000 0.000 0.249 59 N C -1.051 174.246 175.510 -0.355 0.000 1.033 59 N CA 0.090 53.063 53.050 -0.129 0.000 0.944 59 N CB 0.412 38.859 38.487 -0.066 0.000 1.113 59 N HN 0.431 nan 8.380 nan 0.000 0.502 60 H N 3.557 122.331 119.070 -0.493 0.000 3.085 60 H HA 0.238 4.794 4.556 -0.000 0.000 0.356 60 H C -2.189 172.940 175.328 -0.331 0.000 1.178 60 H CA -1.122 54.548 56.048 -0.629 0.000 1.214 60 H CB 2.494 31.622 29.762 -1.057 0.000 1.881 60 H HN 0.323 nan 8.280 nan 0.000 0.538 61 P HA -0.059 nan 4.420 nan 0.000 0.222 61 P C 0.014 177.264 177.300 -0.085 0.000 1.147 61 P CA 1.085 64.010 63.100 -0.291 0.000 0.790 61 P CB 0.408 31.897 31.700 -0.352 0.000 0.780 62 N N -0.838 117.952 118.700 0.151 0.000 2.234 62 N HA 0.244 4.984 4.740 -0.000 0.000 0.227 62 N C -0.055 175.499 175.510 0.073 0.000 1.151 62 N CA -0.116 53.002 53.050 0.113 0.000 0.865 62 N CB 0.269 38.816 38.487 0.100 0.000 1.066 62 N HN 0.154 nan 8.380 nan 0.000 0.515 63 I N 0.351 120.959 120.570 0.063 0.000 2.465 63 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 63 I C 0.026 176.150 176.117 0.011 0.000 1.014 63 I CA -1.239 60.087 61.300 0.044 0.000 1.093 63 I CB 2.107 40.099 38.000 -0.013 0.000 1.267 63 I HN -0.204 nan 8.210 nan 0.000 0.431 64 V N 6.674 126.614 119.914 0.042 0.000 2.752 64 V HA -0.076 4.044 4.120 -0.000 0.000 0.306 64 V C 0.449 176.587 176.094 0.074 0.000 1.099 64 V CA 0.555 62.886 62.300 0.051 0.000 1.240 64 V CB 0.506 32.360 31.823 0.053 0.000 0.887 64 V HN 0.686 nan 8.190 nan 0.000 0.499 65 K N 5.620 126.072 120.400 0.088 0.000 2.262 65 K HA 0.304 4.624 4.320 -0.000 0.000 0.282 65 K C -0.598 176.061 176.600 0.098 0.000 1.066 65 K CA -0.723 55.597 56.287 0.055 0.000 0.901 65 K CB 0.944 33.451 32.500 0.011 0.000 1.089 65 K HN 0.647 nan 8.250 nan 0.000 0.476 66 L N 6.342 127.562 121.223 -0.005 0.000 2.385 66 L HA 0.091 4.431 4.340 -0.000 0.000 0.281 66 L C 0.537 177.300 176.870 -0.179 0.000 1.106 66 L CA 0.462 55.158 54.840 -0.241 0.000 0.856 66 L CB 0.354 42.239 42.059 -0.290 0.000 1.186 66 L HN 0.773 nan 8.230 nan 0.000 0.453 67 L N 2.742 123.856 121.223 -0.181 0.000 2.168 67 L HA 0.253 4.593 4.340 -0.000 0.000 0.203 67 L C 0.113 176.932 176.870 -0.085 0.000 1.078 67 L CA 0.521 55.309 54.840 -0.087 0.000 0.780 67 L CB -0.004 42.036 42.059 -0.031 0.000 0.939 67 L HN 0.657 nan 8.230 nan 0.000 0.451 68 D N -1.988 118.334 120.400 -0.131 0.000 2.654 68 D HA 0.355 4.995 4.640 -0.000 0.000 0.231 68 D C -1.410 174.816 176.300 -0.124 0.000 1.239 68 D CA -0.203 53.748 54.000 -0.082 0.000 0.790 68 D CB 2.744 43.545 40.800 0.002 0.000 1.480 68 D HN -0.352 nan 8.370 nan 0.000 0.442 69 V N 3.326 123.196 119.914 -0.074 0.000 2.407 69 V HA 0.509 4.629 4.120 -0.000 0.000 0.291 69 V C -0.129 175.964 176.094 -0.003 0.000 1.018 69 V CA -0.559 61.706 62.300 -0.058 0.000 0.842 69 V CB 1.327 33.114 31.823 -0.060 0.000 0.996 69 V HN 0.428 nan 8.190 nan 0.000 0.426 70 I N 4.068 124.658 120.570 0.033 0.000 2.355 70 I HA 0.572 4.742 4.170 -0.000 0.000 0.288 70 I C 0.436 176.607 176.117 0.090 0.000 0.999 70 I CA -0.299 61.042 61.300 0.069 0.000 1.163 70 I CB 1.176 39.232 38.000 0.094 0.000 1.316 70 I HN 0.844 nan 8.210 nan 0.000 0.454 71 H N 3.183 122.289 119.070 0.060 0.000 2.551 71 H HA 0.690 5.246 4.556 -0.000 0.000 0.321 71 H C 0.169 175.528 175.328 0.052 0.000 1.028 71 H CA -0.494 55.584 56.048 0.049 0.000 1.215 71 H CB 1.107 30.883 29.762 0.024 0.000 1.414 71 H HN 0.680 nan 8.280 nan 0.000 0.480 72 T N -0.703 113.887 114.554 0.060 0.000 2.893 72 T HA 0.247 4.597 4.350 -0.000 0.000 0.281 72 T C 0.845 175.563 174.700 0.030 0.000 1.027 72 T CA 0.028 62.158 62.100 0.050 0.000 0.953 72 T CB 0.974 69.884 68.868 0.071 0.000 1.434 72 T HN 0.643 nan 8.240 nan 0.000 0.597 73 E N 1.056 121.271 120.200 0.025 0.000 2.016 73 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 73 E C 1.809 178.415 176.600 0.011 0.000 0.985 73 E CA 1.393 57.802 56.400 0.015 0.000 0.802 73 E CB -0.159 29.549 29.700 0.014 0.000 0.762 73 E HN 0.781 nan 8.360 nan 0.000 0.448 74 N N 0.343 119.051 118.700 0.013 0.000 2.299 74 N HA 0.046 4.786 4.740 -0.000 0.000 0.187 74 N C -0.035 175.470 175.510 -0.009 0.000 1.099 74 N CA 0.323 53.376 53.050 0.005 0.000 0.867 74 N CB 0.441 38.934 38.487 0.010 0.000 0.974 74 N HN -0.116 nan 8.380 nan 0.000 0.477 75 K N -0.494 119.904 120.400 -0.004 0.000 2.508 75 K HA 0.513 4.833 4.320 -0.000 0.000 0.260 75 K C -2.080 174.491 176.600 -0.049 0.000 0.949 75 K CA -0.911 55.343 56.287 -0.056 0.000 0.834 75 K CB 2.276 34.745 32.500 -0.051 0.000 1.365 75 K HN 0.022 nan 8.250 nan 0.000 0.437 76 L N 2.394 123.522 121.223 -0.158 0.000 2.441 76 L HA 0.483 4.823 4.340 -0.000 0.000 0.270 76 L C -2.074 174.679 176.870 -0.194 0.000 0.973 76 L CA -0.224 54.562 54.840 -0.090 0.000 0.842 76 L CB 1.021 43.043 42.059 -0.061 0.000 1.239 76 L HN 0.545 nan 8.230 nan 0.000 0.406 77 Y N 5.078 125.364 120.300 -0.024 0.000 2.352 77 Y HA 0.627 5.177 4.550 -0.000 0.000 0.339 77 Y C -0.429 175.422 175.900 -0.081 0.000 0.992 77 Y CA -0.674 57.401 58.100 -0.043 0.000 1.100 77 Y CB 1.948 40.361 38.460 -0.077 0.000 1.192 77 Y HN 0.409 nan 8.280 nan 0.000 0.458 78 L N 4.769 126.033 121.223 0.068 0.000 2.272 78 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 78 L C -0.823 175.910 176.870 -0.228 0.000 1.032 78 L CA -1.073 53.687 54.840 -0.134 0.000 0.810 78 L CB 1.041 43.010 42.059 -0.150 0.000 1.205 78 L HN 0.305 nan 8.230 nan 0.000 0.422 79 V N 3.950 123.645 119.914 -0.365 0.000 2.333 79 V HA 0.375 4.495 4.120 -0.000 0.000 0.274 79 V C -0.144 175.719 176.094 -0.384 0.000 1.028 79 V CA -0.197 61.925 62.300 -0.298 0.000 0.851 79 V CB 0.759 32.426 31.823 -0.259 0.000 1.000 79 V HN 0.390 nan 8.190 nan 0.000 0.456 80 F N 2.288 122.225 119.950 -0.023 0.000 2.483 80 F HA 0.473 5.000 4.527 -0.000 0.000 0.329 80 F C 0.858 176.670 175.800 0.019 0.000 1.064 80 F CA -1.098 56.900 58.000 -0.004 0.000 0.986 80 F CB 1.163 40.163 39.000 -0.001 0.000 1.218 80 F HN 0.629 nan 8.300 nan 0.000 0.484 81 E N 1.097 121.424 120.200 0.212 0.000 2.442 81 E HA 0.014 4.364 4.350 -0.000 0.000 0.262 81 E C -0.994 175.708 176.600 0.170 0.000 1.004 81 E CA -0.329 56.164 56.400 0.155 0.000 0.928 81 E CB 0.497 30.255 29.700 0.096 0.000 0.937 81 E HN 0.469 nan 8.360 nan 0.000 0.446 82 F N 3.681 123.633 119.950 0.004 0.000 2.412 82 F HA 0.357 4.884 4.527 -0.000 0.000 0.348 82 F C -0.924 174.804 175.800 -0.119 0.000 1.102 82 F CA -0.430 57.536 58.000 -0.058 0.000 1.196 82 F CB 0.464 39.406 39.000 -0.097 0.000 1.144 82 F HN 0.385 nan 8.300 nan 0.000 0.541 83 L N 6.285 126.918 121.223 -0.984 0.000 2.370 83 L HA 0.314 4.654 4.340 -0.000 0.000 0.266 83 L C 0.351 176.467 176.870 -1.257 0.000 1.002 83 L CA -0.934 53.387 54.840 -0.865 0.000 0.818 83 L CB 2.004 43.845 42.059 -0.364 0.000 1.325 83 L HN 0.689 nan 8.230 nan 0.000 0.418 84 H N 0.078 118.763 119.070 -0.641 0.000 2.299 84 H HA -0.041 4.515 4.556 -0.000 0.000 0.302 84 H C 0.099 175.293 175.328 -0.223 0.000 1.078 84 H CA 1.133 56.976 56.048 -0.342 0.000 1.323 84 H CB 0.104 29.832 29.762 -0.057 0.000 1.381 84 H HN 0.562 nan 8.280 nan 0.000 0.498 85 Q N 0.373 120.135 119.800 -0.063 0.000 2.626 85 Q HA 0.315 4.655 4.340 -0.000 0.000 0.300 85 Q C -1.539 174.406 176.000 -0.092 0.000 0.988 85 Q CA -1.098 54.670 55.803 -0.058 0.000 0.761 85 Q CB 2.024 30.769 28.738 0.012 0.000 1.494 85 Q HN 0.240 nan 8.270 nan 0.000 0.439 86 D N -0.127 120.236 120.400 -0.061 0.000 2.437 86 D HA 0.217 4.857 4.640 -0.000 0.000 0.259 86 D C 0.514 176.809 176.300 -0.009 0.000 1.118 86 D CA -0.849 53.109 54.000 -0.071 0.000 1.017 86 D CB 0.945 41.700 40.800 -0.076 0.000 1.120 86 D HN 0.481 nan 8.370 nan 0.000 0.541 87 L N 0.105 121.311 121.223 -0.028 0.000 2.141 87 L HA -0.003 4.337 4.340 -0.000 0.000 0.209 87 L C 2.044 178.988 176.870 0.123 0.000 1.094 87 L CA 1.713 56.586 54.840 0.056 0.000 0.763 87 L CB -0.729 41.314 42.059 -0.027 0.000 0.908 87 L HN 0.636 nan 8.230 nan 0.000 0.437 88 K N -0.327 120.107 120.400 0.057 0.000 2.026 88 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 88 K C 2.326 178.972 176.600 0.077 0.000 1.048 88 K CA 1.771 58.096 56.287 0.063 0.000 0.929 88 K CB -0.175 32.344 32.500 0.033 0.000 0.713 88 K HN 0.260 nan 8.250 nan 0.000 0.439 89 K N -0.341 120.106 120.400 0.078 0.000 2.097 89 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 89 K C 2.053 178.744 176.600 0.152 0.000 1.049 89 K CA 1.307 57.647 56.287 0.089 0.000 0.933 89 K CB -0.198 32.344 32.500 0.069 0.000 0.717 89 K HN 0.136 nan 8.250 nan 0.000 0.442 90 F N 1.409 121.371 119.950 0.021 0.000 2.146 90 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 90 F C 1.959 177.796 175.800 0.063 0.000 1.096 90 F CA 1.371 59.398 58.000 0.045 0.000 1.275 90 F CB -0.220 38.818 39.000 0.063 0.000 1.008 90 F HN -0.024 nan 8.300 nan 0.000 0.480 91 M N -0.052 119.527 119.600 -0.036 0.000 2.086 91 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 91 M C 1.765 178.004 176.300 -0.103 0.000 1.067 91 M CA 2.139 57.363 55.300 -0.126 0.000 1.116 91 M CB -0.622 31.984 32.600 0.009 0.000 1.348 91 M HN -0.012 nan 8.290 nan 0.000 0.407 92 D N 0.479 120.865 120.400 -0.024 0.000 2.158 92 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 92 D C 1.850 178.133 176.300 -0.029 0.000 0.995 92 D CA 1.727 55.722 54.000 -0.009 0.000 0.846 92 D CB -0.107 40.706 40.800 0.022 0.000 0.941 92 D HN 0.380 nan 8.370 nan 0.000 0.456 93 A N -0.296 122.501 122.820 -0.038 0.000 2.016 93 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 93 A C 2.001 179.533 177.584 -0.087 0.000 1.162 93 A CA 0.860 52.882 52.037 -0.025 0.000 0.662 93 A CB -0.022 19.007 19.000 0.049 0.000 0.812 93 A HN 0.101 nan 8.150 nan 0.000 0.450 94 S N 0.039 115.605 115.700 -0.223 0.000 2.671 94 S HA 0.346 4.816 4.470 -0.000 0.000 0.220 94 S C 1.782 176.300 174.600 -0.136 0.000 0.951 94 S CA 0.375 58.430 58.200 -0.241 0.000 0.932 94 S CB -0.061 62.850 63.200 -0.482 0.000 0.777 94 S HN 0.705 nan 8.310 nan 0.000 0.508 95 A N 1.634 124.400 122.820 -0.090 0.000 1.883 95 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 95 A C 2.022 179.577 177.584 -0.049 0.000 1.186 95 A CA 1.421 53.423 52.037 -0.060 0.000 0.624 95 A CB -0.549 18.430 19.000 -0.036 0.000 0.822 95 A HN 0.496 nan 8.150 nan 0.000 0.444 96 L N -1.418 119.782 121.223 -0.039 0.000 2.049 96 L HA -0.004 4.336 4.340 -0.000 0.000 0.203 96 L C 2.523 179.373 176.870 -0.033 0.000 1.074 96 L CA 2.782 57.605 54.840 -0.029 0.000 0.749 96 L CB -0.850 41.199 42.059 -0.018 0.000 0.907 96 L HN 0.334 nan 8.230 nan 0.000 0.439 97 T N -0.884 113.648 114.554 -0.037 0.000 3.035 97 T HA 0.346 4.696 4.350 -0.000 0.000 0.259 97 T C 0.746 175.421 174.700 -0.042 0.000 1.078 97 T CA 0.760 62.840 62.100 -0.034 0.000 1.132 97 T CB -0.569 68.284 68.868 -0.024 0.000 0.900 97 T HN 0.804 nan 8.240 nan 0.000 0.480 98 G N 0.765 109.528 108.800 -0.063 0.000 2.705 98 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 98 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 98 G C -0.620 174.237 174.900 -0.072 0.000 1.285 98 G CA -0.553 44.507 45.100 -0.067 0.000 0.800 98 G HN 0.515 nan 8.290 nan 0.000 0.611 99 I N 2.806 123.334 120.570 -0.071 0.000 2.396 99 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 99 I C -1.572 174.557 176.117 0.021 0.000 1.056 99 I CA -1.732 59.556 61.300 -0.020 0.000 1.365 99 I CB 1.212 39.226 38.000 0.023 0.000 1.407 99 I HN 0.245 nan 8.210 nan 0.000 0.509 100 P HA 0.064 nan 4.420 nan 0.000 0.266 100 P C 0.828 178.146 177.300 0.030 0.000 1.195 100 P CA -0.151 62.961 63.100 0.019 0.000 0.768 100 P CB 0.615 32.322 31.700 0.012 0.000 0.838 101 L N 4.642 125.888 121.223 0.039 0.000 2.079 101 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 101 L C -0.435 176.456 176.870 0.034 0.000 1.081 101 L CA 1.671 56.555 54.840 0.073 0.000 0.752 101 L CB -2.028 40.081 42.059 0.082 0.000 0.896 101 L HN 0.443 nan 8.230 nan 0.000 0.433 102 P HA -0.215 nan 4.420 nan 0.000 0.217 102 P C 1.790 179.055 177.300 -0.059 0.000 1.148 102 P CA 1.429 64.499 63.100 -0.049 0.000 0.828 102 P CB 0.097 31.767 31.700 -0.049 0.000 0.783 103 L N -0.816 120.363 121.223 -0.073 0.000 2.162 103 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 103 L C 2.543 179.289 176.870 -0.206 0.000 1.086 103 L CA 1.152 55.868 54.840 -0.206 0.000 0.778 103 L CB -1.070 40.847 42.059 -0.237 0.000 0.928 103 L HN -0.228 nan 8.230 nan 0.000 0.446 104 I N -0.239 120.337 120.570 0.011 0.000 2.151 104 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 104 I C 2.544 178.827 176.117 0.277 0.000 1.080 104 I CA 1.705 63.130 61.300 0.208 0.000 1.339 104 I CB -0.402 37.779 38.000 0.302 0.000 1.039 104 I HN 0.313 nan 8.210 nan 0.000 0.409 105 K N 0.575 121.106 120.400 0.218 0.000 2.002 105 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 105 K C 2.398 179.174 176.600 0.294 0.000 1.048 105 K CA 1.962 58.395 56.287 0.244 0.000 0.930 105 K CB -0.201 32.253 32.500 -0.077 0.000 0.714 105 K HN 0.130 nan 8.250 nan 0.000 0.438 106 S N -0.454 115.325 115.700 0.131 0.000 2.368 106 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 106 S C 1.989 176.759 174.600 0.283 0.000 1.044 106 S CA 1.489 59.775 58.200 0.144 0.000 1.062 106 S CB -0.479 62.723 63.200 0.002 0.000 0.931 106 S HN 0.388 nan 8.310 nan 0.000 0.440 107 Y N 1.146 121.536 120.300 0.150 0.000 2.070 107 Y HA -0.067 4.483 4.550 -0.000 0.000 0.280 107 Y C 2.434 178.400 175.900 0.110 0.000 1.148 107 Y CA 0.904 59.073 58.100 0.116 0.000 1.125 107 Y CB -1.496 37.042 38.460 0.130 0.000 0.975 107 Y HN 0.301 nan 8.280 nan 0.000 0.492 108 L N -0.581 120.844 121.223 0.337 0.000 2.013 108 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 108 L C 2.304 179.258 176.870 0.142 0.000 1.073 108 L CA 1.646 56.619 54.840 0.221 0.000 0.753 108 L CB -1.337 40.820 42.059 0.164 0.000 0.890 108 L HN 0.159 nan 8.230 nan 0.000 0.432 109 F N 0.316 120.215 119.950 -0.085 0.000 2.065 109 F HA -0.318 4.209 4.527 -0.000 0.000 0.298 109 F C 2.512 178.162 175.800 -0.250 0.000 1.112 109 F CA 2.316 59.997 58.000 -0.531 0.000 1.212 109 F CB -0.534 38.144 39.000 -0.535 0.000 0.975 109 F HN 0.290 nan 8.300 nan 0.000 0.476 110 Q N -0.026 119.716 119.800 -0.097 0.000 2.046 110 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 110 Q C 2.393 178.317 176.000 -0.127 0.000 0.975 110 Q CA 1.859 57.583 55.803 -0.132 0.000 0.836 110 Q CB -0.435 28.317 28.738 0.023 0.000 0.896 110 Q HN 0.449 nan 8.270 nan 0.000 0.428 111 L N 0.501 121.684 121.223 -0.066 0.000 2.021 111 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 111 L C 2.338 179.138 176.870 -0.117 0.000 1.074 111 L CA 1.264 56.056 54.840 -0.080 0.000 0.760 111 L CB -0.516 41.520 42.059 -0.039 0.000 0.889 111 L HN 0.271 nan 8.230 nan 0.000 0.433 112 L N -1.121 120.020 121.223 -0.138 0.000 2.191 112 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 112 L C 2.648 179.399 176.870 -0.197 0.000 1.103 112 L CA 1.066 55.820 54.840 -0.143 0.000 0.769 112 L CB -0.372 41.606 42.059 -0.134 0.000 0.908 112 L HN 0.371 nan 8.230 nan 0.000 0.438 113 Q N -0.609 119.021 119.800 -0.283 0.000 2.137 113 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 113 Q C 2.321 178.158 176.000 -0.270 0.000 0.960 113 Q CA 1.203 56.856 55.803 -0.251 0.000 0.847 113 Q CB -0.239 28.337 28.738 -0.271 0.000 0.915 113 Q HN 0.585 nan 8.270 nan 0.000 0.448 114 G N 1.039 109.696 108.800 -0.238 0.000 2.421 114 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 114 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 114 G C 1.325 176.119 174.900 -0.177 0.000 1.171 114 G CA 0.538 45.483 45.100 -0.258 0.000 0.775 114 G HN 0.208 nan 8.290 nan 0.000 0.543 115 L N 1.188 122.306 121.223 -0.176 0.000 2.141 115 L HA 0.212 4.552 4.340 -0.000 0.000 0.209 115 L C 3.095 179.789 176.870 -0.295 0.000 1.094 115 L CA 1.746 56.419 54.840 -0.278 0.000 0.763 115 L CB -0.546 41.363 42.059 -0.251 0.000 0.908 115 L HN 0.256 nan 8.230 nan 0.000 0.437 116 A N -1.357 121.390 122.820 -0.123 0.000 1.898 116 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 116 A C 2.250 179.863 177.584 0.049 0.000 1.181 116 A CA 1.665 53.699 52.037 -0.005 0.000 0.620 116 A CB -1.006 17.994 19.000 0.001 0.000 0.819 116 A HN 0.464 nan 8.150 nan 0.000 0.442 117 F N 0.137 119.995 119.950 -0.153 0.000 2.186 117 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 117 F C 2.434 178.272 175.800 0.063 0.000 1.090 117 F CA 1.425 59.379 58.000 -0.076 0.000 1.307 117 F CB -0.410 38.334 39.000 -0.427 0.000 1.019 117 F HN 0.304 nan 8.300 nan 0.000 0.489 118 C N 0.085 119.464 119.300 0.131 0.000 2.442 118 C HA -0.225 4.235 4.460 -0.000 0.000 0.279 118 C C 2.677 177.786 174.990 0.198 0.000 1.237 118 C CA 1.749 60.854 59.018 0.144 0.000 1.722 118 C CB -1.640 26.171 27.740 0.118 0.000 2.056 118 C HN 0.540 nan 8.230 nan 0.000 0.469 119 H N 0.701 119.884 119.070 0.188 0.000 2.387 119 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 119 H C 2.271 177.674 175.328 0.125 0.000 1.090 119 H CA 1.472 57.672 56.048 0.252 0.000 1.332 119 H CB -0.075 29.826 29.762 0.233 0.000 1.386 119 H HN 0.579 nan 8.280 nan 0.000 0.516 120 S N -0.078 115.701 115.700 0.131 0.000 2.603 120 S HA -0.055 4.415 4.470 -0.000 0.000 0.220 120 S C 0.439 174.828 174.600 -0.350 0.000 0.967 120 S CA 0.321 58.473 58.200 -0.081 0.000 0.920 120 S CB -0.127 63.004 63.200 -0.114 0.000 0.773 120 S HN 0.477 nan 8.310 nan 0.000 0.529 121 H N 1.477 120.408 119.070 -0.232 0.000 2.505 121 H HA 0.371 4.927 4.556 -0.000 0.000 0.260 121 H C 0.347 175.516 175.328 -0.265 0.000 1.168 121 H CA -0.376 55.512 56.048 -0.267 0.000 0.945 121 H CB 0.232 29.794 29.762 -0.333 0.000 1.800 121 H HN 0.383 nan 8.280 nan 0.000 0.586 122 R N -1.496 118.799 120.500 -0.342 0.000 3.610 122 R HA -0.160 4.180 4.340 -0.000 0.000 0.274 122 R C -1.552 174.298 176.300 -0.749 0.000 1.123 122 R CA 0.599 56.108 56.100 -0.986 0.000 0.747 122 R CB -3.298 26.491 30.300 -0.851 0.000 1.149 122 R HN 0.150 nan 8.270 nan 0.000 0.471 123 V N 1.361 121.234 119.914 -0.068 0.000 2.357 123 V HA 0.430 4.550 4.120 -0.000 0.000 0.284 123 V C 0.583 177.022 176.094 0.576 0.000 1.018 123 V CA -0.811 61.637 62.300 0.248 0.000 0.841 123 V CB 1.578 33.538 31.823 0.227 0.000 0.991 123 V HN 0.294 nan 8.190 nan 0.000 0.437 124 L N 4.269 125.839 121.223 0.578 0.000 2.312 124 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 124 L C 1.493 178.493 176.870 0.218 0.000 1.070 124 L CA -0.467 54.623 54.840 0.416 0.000 0.805 124 L CB 0.872 43.047 42.059 0.192 0.000 1.174 124 L HN 0.710 nan 8.230 nan 0.000 0.434 125 H N 4.095 123.207 119.070 0.070 0.000 2.355 125 H HA 0.032 4.588 4.556 -0.000 0.000 0.303 125 H C 1.050 176.270 175.328 -0.181 0.000 1.061 125 H CA 1.430 57.371 56.048 -0.178 0.000 1.368 125 H CB 0.552 30.136 29.762 -0.296 0.000 1.412 125 H HN 0.646 nan 8.280 nan 0.000 0.523 126 R N -0.797 119.742 120.500 0.065 0.000 3.789 126 R HA -0.203 4.137 4.340 -0.000 0.000 0.414 126 R C -0.300 176.025 176.300 0.041 0.000 0.593 126 R CA 1.617 57.676 56.100 -0.068 0.000 1.562 126 R CB -1.643 28.492 30.300 -0.276 0.000 2.091 126 R HN 0.390 nan 8.270 nan 0.000 0.382 127 D N 0.727 121.248 120.400 0.202 0.000 2.879 127 D HA 0.302 4.942 4.640 -0.000 0.000 0.351 127 D C -0.697 175.673 176.300 0.116 0.000 1.239 127 D CA -0.170 53.914 54.000 0.140 0.000 0.771 127 D CB 0.286 41.110 40.800 0.040 0.000 1.176 127 D HN 0.091 nan 8.370 nan 0.000 0.496 128 L N 2.375 123.560 121.223 -0.063 0.000 2.313 128 L HA 0.370 4.710 4.340 -0.000 0.000 0.282 128 L C 0.440 177.122 176.870 -0.313 0.000 1.092 128 L CA 0.112 54.756 54.840 -0.326 0.000 0.831 128 L CB 0.464 42.327 42.059 -0.326 0.000 1.159 128 L HN 0.197 nan 8.230 nan 0.000 0.442 129 K N 2.566 122.733 120.400 -0.390 0.000 2.575 129 K HA 0.420 4.740 4.320 -0.000 0.000 0.279 129 K C -2.822 173.548 176.600 -0.384 0.000 0.969 129 K CA -1.617 54.297 56.287 -0.622 0.000 0.868 129 K CB 1.706 33.941 32.500 -0.443 0.000 1.457 129 K HN -0.085 nan 8.250 nan 0.000 0.426 130 P HA -0.214 nan 4.420 nan 0.000 0.218 130 P C 0.593 177.824 177.300 -0.114 0.000 1.146 130 P CA 1.513 64.523 63.100 -0.150 0.000 0.813 130 P CB 0.129 31.808 31.700 -0.034 0.000 0.778 131 Q N -1.556 118.178 119.800 -0.110 0.000 2.378 131 Q HA 0.005 4.345 4.340 -0.000 0.000 0.205 131 Q C 0.931 176.867 176.000 -0.106 0.000 0.954 131 Q CA 0.624 56.374 55.803 -0.089 0.000 0.901 131 Q CB -0.413 28.282 28.738 -0.071 0.000 0.981 131 Q HN 0.323 nan 8.270 nan 0.000 0.483 132 N N 0.459 119.082 118.700 -0.129 0.000 2.276 132 N HA 0.164 4.904 4.740 -0.000 0.000 0.212 132 N C -0.719 174.706 175.510 -0.141 0.000 1.127 132 N CA 0.336 53.316 53.050 -0.116 0.000 0.834 132 N CB 0.674 39.108 38.487 -0.088 0.000 1.014 132 N HN 0.185 nan 8.380 nan 0.000 0.491 133 L N 1.127 122.257 121.223 -0.155 0.000 2.376 133 L HA 0.522 4.862 4.340 -0.000 0.000 0.275 133 L C -0.638 176.127 176.870 -0.174 0.000 0.987 133 L CA -0.582 54.156 54.840 -0.170 0.000 0.828 133 L CB 1.926 43.870 42.059 -0.193 0.000 1.249 133 L HN -0.268 nan 8.230 nan 0.000 0.409 134 L N 4.962 126.079 121.223 -0.177 0.000 2.329 134 L HA 0.690 5.030 4.340 -0.000 0.000 0.279 134 L C -0.322 176.422 176.870 -0.209 0.000 1.014 134 L CA -0.758 53.970 54.840 -0.186 0.000 0.814 134 L CB 1.996 43.943 42.059 -0.187 0.000 1.257 134 L HN 0.545 nan 8.230 nan 0.000 0.424 135 I N -0.289 120.156 120.570 -0.209 0.000 2.646 135 I HA 0.638 4.808 4.170 -0.000 0.000 0.299 135 I C -0.768 175.281 176.117 -0.113 0.000 1.036 135 I CA -0.683 60.485 61.300 -0.220 0.000 1.074 135 I CB 1.988 39.788 38.000 -0.333 0.000 1.258 135 I HN 0.608 nan 8.210 nan 0.000 0.430 136 N N 1.486 120.146 118.700 -0.067 0.000 2.592 136 N HA 0.349 5.089 4.740 -0.000 0.000 0.292 136 N C 0.682 176.052 175.510 -0.232 0.000 1.260 136 N CA -0.264 52.771 53.050 -0.024 0.000 0.910 136 N CB 0.566 39.128 38.487 0.124 0.000 1.257 136 N HN 0.752 nan 8.380 nan 0.000 0.569 137 T N -3.657 110.624 114.554 -0.454 0.000 3.051 137 T HA 0.009 4.359 4.350 -0.000 0.000 0.269 137 T C 0.446 175.057 174.700 -0.149 0.000 1.127 137 T CA 0.884 62.785 62.100 -0.332 0.000 1.107 137 T CB -0.211 68.431 68.868 -0.377 0.000 0.898 137 T HN 0.473 nan 8.240 nan 0.000 0.517 138 E N 0.678 120.826 120.200 -0.087 0.000 2.481 138 E HA 0.324 4.674 4.350 -0.000 0.000 0.198 138 E C 1.535 178.133 176.600 -0.004 0.000 1.027 138 E CA 0.438 56.820 56.400 -0.029 0.000 0.900 138 E CB 0.354 30.053 29.700 -0.002 0.000 0.993 138 E HN 0.681 nan 8.360 nan 0.000 0.482 139 G N 0.612 109.418 108.800 0.010 0.000 2.184 139 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 139 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 139 G C 0.504 175.493 174.900 0.149 0.000 0.995 139 G CA -0.050 45.092 45.100 0.070 0.000 0.651 139 G HN 0.467 nan 8.290 nan 0.000 0.511 140 A N -0.140 122.729 122.820 0.081 0.000 2.322 140 A HA 0.841 5.161 4.320 -0.000 0.000 0.269 140 A C -0.054 177.528 177.584 -0.004 0.000 1.094 140 A CA 0.194 52.263 52.037 0.053 0.000 0.807 140 A CB 0.910 19.915 19.000 0.009 0.000 1.047 140 A HN 1.397 nan 8.150 nan 0.000 0.487 141 I N 0.377 120.916 120.570 -0.053 0.000 2.656 141 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 141 I C -1.063 174.983 176.117 -0.120 0.000 1.144 141 I CA -0.534 60.645 61.300 -0.202 0.000 1.038 141 I CB 1.798 39.526 38.000 -0.454 0.000 1.244 141 I HN 0.707 nan 8.210 nan 0.000 0.420 142 K N 7.383 127.709 120.400 -0.124 0.000 2.464 142 K HA 0.543 4.863 4.320 -0.000 0.000 0.253 142 K C -1.446 175.125 176.600 -0.049 0.000 0.933 142 K CA -0.794 55.456 56.287 -0.062 0.000 0.801 142 K CB 2.552 35.025 32.500 -0.046 0.000 1.271 142 K HN 0.501 nan 8.250 nan 0.000 0.430 143 L N 2.604 123.839 121.223 0.020 0.000 2.360 143 L HA 0.393 4.733 4.340 -0.000 0.000 0.276 143 L C 0.295 177.320 176.870 0.257 0.000 1.121 143 L CA -0.182 54.697 54.840 0.066 0.000 0.845 143 L CB 0.755 42.885 42.059 0.120 0.000 1.143 143 L HN 0.773 nan 8.230 nan 0.000 0.452 144 A N 2.549 125.459 122.820 0.151 0.000 2.464 144 A HA 0.426 4.746 4.320 -0.000 0.000 0.268 144 A C -0.415 177.302 177.584 0.223 0.000 1.244 144 A CA -0.520 51.624 52.037 0.179 0.000 0.871 144 A CB 0.714 19.681 19.000 -0.054 0.000 1.400 144 A HN 0.765 nan 8.150 nan 0.000 0.455 145 D N -1.458 119.008 120.400 0.109 0.000 4.004 145 D HA -0.171 4.469 4.640 -0.000 0.000 0.208 145 D C -1.120 175.139 176.300 -0.068 0.000 1.026 145 D CA 0.916 54.949 54.000 0.054 0.000 1.116 145 D CB -0.464 40.322 40.800 -0.023 0.000 0.813 145 D HN 0.387 nan 8.370 nan 0.000 0.430 146 F N 1.549 121.434 119.950 -0.109 0.000 2.855 146 F HA 0.328 4.855 4.527 -0.000 0.000 0.317 146 F C 1.879 177.606 175.800 -0.121 0.000 1.169 146 F CA 0.010 57.893 58.000 -0.195 0.000 1.299 146 F CB 0.952 39.901 39.000 -0.085 0.000 0.962 146 F HN 0.378 nan 8.300 nan 0.000 0.506 147 G N -0.223 108.580 108.800 0.005 0.000 2.448 147 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.218 147 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.218 147 G C 1.305 176.190 174.900 -0.025 0.000 1.135 147 G CA 0.516 45.623 45.100 0.012 0.000 0.784 147 G HN 0.381 nan 8.290 nan 0.000 0.543 148 L N 0.519 121.683 121.223 -0.098 0.000 2.728 148 L HA 0.430 4.770 4.340 -0.000 0.000 0.238 148 L C 1.445 178.234 176.870 -0.136 0.000 1.143 148 L CA -0.535 54.247 54.840 -0.097 0.000 0.937 148 L CB 0.340 42.340 42.059 -0.098 0.000 1.225 148 L HN 0.151 nan 8.230 nan 0.000 0.507 149 A N 0.934 123.659 122.820 -0.158 0.000 2.425 149 A HA 0.509 4.829 4.320 -0.000 0.000 0.242 149 A C 0.118 177.716 177.584 0.024 0.000 1.077 149 A CA 0.206 52.185 52.037 -0.097 0.000 0.781 149 A CB 0.313 19.337 19.000 0.040 0.000 1.020 149 A HN 0.207 nan 8.150 nan 0.000 0.494 150 R N -0.218 120.329 120.500 0.080 0.000 2.698 150 R HA 0.586 4.926 4.340 -0.000 0.000 0.275 150 R C -0.730 175.683 176.300 0.189 0.000 1.001 150 R CA -0.369 55.803 56.100 0.120 0.000 0.896 150 R CB 2.069 32.434 30.300 0.108 0.000 1.218 150 R HN 0.903 nan 8.270 nan 0.000 0.462 151 A N 2.691 125.594 122.820 0.138 0.000 2.328 151 A HA 0.471 4.791 4.320 -0.000 0.000 0.284 151 A C 0.003 177.676 177.584 0.149 0.000 1.160 151 A CA -0.405 51.680 52.037 0.079 0.000 0.818 151 A CB -0.265 18.747 19.000 0.020 0.000 1.087 151 A HN 0.639 nan 8.150 nan 0.000 0.504 152 F N 1.598 121.588 119.950 0.068 0.000 2.928 152 F HA 0.491 5.018 4.527 -0.000 0.000 0.337 152 F C 1.078 176.899 175.800 0.036 0.000 1.259 152 F CA -0.560 57.477 58.000 0.061 0.000 1.267 152 F CB -0.224 38.817 39.000 0.068 0.000 0.986 152 F HN 0.482 nan 8.300 nan 0.000 0.507 153 G N 0.630 109.409 108.800 -0.035 0.000 2.450 153 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.220 153 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.220 153 G C 0.402 175.334 174.900 0.053 0.000 1.130 153 G CA 0.929 46.015 45.100 -0.023 0.000 0.760 153 G HN 0.309 nan 8.290 nan 0.000 0.557 154 V N 1.277 121.247 119.914 0.094 0.000 2.555 154 V HA 0.367 4.487 4.120 -0.000 0.000 0.302 154 V C -2.191 173.996 176.094 0.156 0.000 1.038 154 V CA -1.766 60.592 62.300 0.098 0.000 0.887 154 V CB 2.272 34.147 31.823 0.085 0.000 0.991 154 V HN -0.024 nan 8.190 nan 0.000 0.434 155 P HA 0.111 nan 4.420 nan 0.000 0.267 155 P C -0.595 176.878 177.300 0.289 0.000 1.205 155 P CA -0.023 63.135 63.100 0.096 0.000 0.765 155 P CB 0.392 31.921 31.700 -0.285 0.000 0.828 156 V N 5.486 125.599 119.914 0.332 0.000 2.427 156 V HA 0.113 4.233 4.120 -0.000 0.000 0.268 156 V C 1.044 177.377 176.094 0.399 0.000 1.046 156 V CA -0.225 62.290 62.300 0.357 0.000 0.970 156 V CB -0.179 31.853 31.823 0.347 0.000 1.001 156 V HN 0.490 nan 8.190 nan 0.000 0.476 157 R N 2.971 123.619 120.500 0.247 0.000 2.543 157 R HA 0.343 4.683 4.340 -0.000 0.000 0.277 157 R C 0.473 176.765 176.300 -0.014 0.000 1.074 157 R CA -0.296 55.787 56.100 -0.029 0.000 1.076 157 R CB 0.127 30.377 30.300 -0.084 0.000 0.993 157 R HN 0.783 nan 8.270 nan 0.000 0.459 158 T N -2.230 112.171 114.554 -0.256 0.000 2.869 158 T HA 0.235 4.585 4.350 -0.000 0.000 0.295 158 T C 0.533 175.163 174.700 -0.116 0.000 0.987 158 T CA -0.728 61.176 62.100 -0.326 0.000 1.109 158 T CB 0.494 68.983 68.868 -0.631 0.000 0.932 158 T HN 0.540 nan 8.240 nan 0.000 0.518 159 Y N 1.272 121.588 120.300 0.027 0.000 2.597 159 Y HA 0.346 4.896 4.550 -0.000 0.000 0.336 159 Y C 2.063 177.919 175.900 -0.073 0.000 1.216 159 Y CA -0.631 57.473 58.100 0.006 0.000 1.463 159 Y CB -0.616 37.895 38.460 0.085 0.000 1.303 159 Y HN 1.114 nan 8.280 nan 0.000 0.576 160 T N -1.271 113.182 114.554 -0.168 0.000 2.995 160 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 160 T C 0.051 174.585 174.700 -0.276 0.000 1.091 160 T CA 1.553 63.491 62.100 -0.271 0.000 1.128 160 T CB -0.241 68.393 68.868 -0.390 0.000 0.891 160 T HN 0.771 nan 8.240 nan 0.000 0.492 161 H N 1.681 120.758 119.070 0.012 0.000 2.572 161 H HA 0.545 5.101 4.556 -0.000 0.000 0.248 161 H C 0.143 175.492 175.328 0.035 0.000 1.397 161 H CA -0.919 55.140 56.048 0.018 0.000 1.319 161 H CB -0.387 29.383 29.762 0.013 0.000 1.452 161 H HN 0.589 nan 8.280 nan 0.000 0.535 162 E N 2.716 122.998 120.200 0.138 0.000 2.271 162 E HA 0.183 4.533 4.350 -0.000 0.000 0.255 162 E C 1.365 178.033 176.600 0.114 0.000 1.177 162 E CA 0.214 56.692 56.400 0.130 0.000 0.946 162 E CB -0.305 29.471 29.700 0.126 0.000 1.009 162 E HN 0.512 nan 8.360 nan 0.000 0.451 163 V N 1.044 121.020 119.914 0.104 0.000 3.380 163 V HA 0.038 4.158 4.120 -0.000 0.000 0.268 163 V C 1.212 177.341 176.094 0.058 0.000 1.168 163 V CA 0.314 62.655 62.300 0.070 0.000 1.156 163 V CB -0.618 31.239 31.823 0.057 0.000 0.785 163 V HN 0.502 nan 8.190 nan 0.000 0.487 164 V N 1.486 121.449 119.914 0.080 0.000 2.901 164 V HA 0.054 4.174 4.120 -0.000 0.000 0.307 164 V C 1.196 177.341 176.094 0.086 0.000 1.084 164 V CA 1.035 63.386 62.300 0.084 0.000 1.184 164 V CB 0.426 32.321 31.823 0.121 0.000 0.941 164 V HN 0.639 nan 8.190 nan 0.000 0.493 165 T N 3.191 117.801 114.554 0.092 0.000 2.946 165 T HA -0.004 4.346 4.350 -0.000 0.000 0.312 165 T C 0.778 175.563 174.700 0.141 0.000 1.066 165 T CA -0.111 62.048 62.100 0.098 0.000 1.138 165 T CB 0.090 69.056 68.868 0.163 0.000 1.014 165 T HN 0.560 nan 8.240 nan 0.000 0.544 166 L N 5.174 126.446 121.223 0.082 0.000 2.095 166 L HA 0.218 4.558 4.340 -0.000 0.000 0.204 166 L C 1.750 178.795 176.870 0.291 0.000 1.080 166 L CA 1.540 56.471 54.840 0.151 0.000 0.759 166 L CB -0.877 41.256 42.059 0.122 0.000 0.914 166 L HN 0.787 nan 8.230 nan 0.000 0.439 167 W N -1.126 120.179 121.300 0.008 0.000 2.467 167 W HA -0.092 4.568 4.660 -0.000 0.000 0.275 167 W C 1.772 178.172 176.519 -0.200 0.000 1.239 167 W CA 0.482 57.731 57.345 -0.160 0.000 1.266 167 W CB -1.011 28.206 29.460 -0.405 0.000 1.112 167 W HN 0.213 nan 8.180 nan 0.000 0.576 168 Y N -0.604 119.945 120.300 0.415 0.000 2.524 168 Y HA 0.262 4.812 4.550 -0.000 0.000 0.266 168 Y C 1.235 177.384 175.900 0.416 0.000 1.180 168 Y CA -0.552 57.782 58.100 0.388 0.000 1.244 168 Y CB -0.389 38.230 38.460 0.265 0.000 1.125 168 Y HN -0.351 nan 8.280 nan 0.000 0.524 169 R N 1.690 122.429 120.500 0.399 0.000 2.389 169 R HA 0.497 4.837 4.340 -0.000 0.000 0.295 169 R C 0.170 176.489 176.300 0.031 0.000 1.075 169 R CA -0.161 56.080 56.100 0.235 0.000 1.005 169 R CB 0.459 30.849 30.300 0.151 0.000 0.987 169 R HN 0.243 nan 8.270 nan 0.000 0.452 170 A N 6.095 128.805 122.820 -0.185 0.000 2.386 170 A HA 0.236 4.556 4.320 -0.000 0.000 0.248 170 A C -1.593 175.629 177.584 -0.603 0.000 1.082 170 A CA -1.320 50.202 52.037 -0.858 0.000 0.789 170 A CB 0.230 18.982 19.000 -0.414 0.000 1.025 170 A HN 0.705 nan 8.150 nan 0.000 0.490 171 P HA -0.191 nan 4.420 nan 0.000 0.218 171 P C 1.063 178.417 177.300 0.090 0.000 1.149 171 P CA 1.505 64.468 63.100 -0.229 0.000 0.817 171 P CB 0.039 31.710 31.700 -0.049 0.000 0.785 172 E N 0.875 121.159 120.200 0.139 0.000 2.118 172 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 172 E C 2.137 178.790 176.600 0.090 0.000 0.992 172 E CA 1.118 57.689 56.400 0.286 0.000 0.804 172 E CB -1.338 28.540 29.700 0.296 0.000 0.741 172 E HN 0.288 nan 8.360 nan 0.000 0.458 173 I N 1.198 121.775 120.570 0.012 0.000 2.113 173 I HA -0.278 3.892 4.170 -0.000 0.000 0.238 173 I C 2.814 178.928 176.117 -0.005 0.000 1.070 173 I CA 1.070 62.355 61.300 -0.025 0.000 1.332 173 I CB -0.397 37.616 38.000 0.022 0.000 1.044 173 I HN -0.007 nan 8.210 nan 0.000 0.402 174 L N 0.175 121.400 121.223 0.004 0.000 2.129 174 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 174 L C 2.212 179.112 176.870 0.050 0.000 1.087 174 L CA 1.322 56.169 54.840 0.012 0.000 0.757 174 L CB -0.426 41.617 42.059 -0.026 0.000 0.896 174 L HN 0.300 nan 8.230 nan 0.000 0.434 175 L N -0.643 120.629 121.223 0.082 0.000 2.591 175 L HA 0.162 4.502 4.340 -0.000 0.000 0.228 175 L C 1.180 178.074 176.870 0.040 0.000 1.133 175 L CA 0.388 55.295 54.840 0.111 0.000 0.880 175 L CB -0.264 41.871 42.059 0.127 0.000 1.033 175 L HN 0.439 nan 8.230 nan 0.000 0.450 176 G N 0.529 109.331 108.800 0.004 0.000 2.204 176 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 176 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 176 G C 0.355 175.212 174.900 -0.072 0.000 1.062 176 G CA -0.056 45.020 45.100 -0.040 0.000 0.798 176 G HN 0.434 nan 8.290 nan 0.000 0.496 177 C N -1.251 118.008 119.300 -0.068 0.000 2.705 177 C HA 0.679 5.139 4.460 -0.000 0.000 0.382 177 C C 2.031 176.927 174.990 -0.156 0.000 1.322 177 C CA 0.307 59.282 59.018 -0.072 0.000 2.290 177 C CB 1.196 28.934 27.740 -0.004 0.000 2.650 177 C HN 0.642 nan 8.230 nan 0.000 0.695 178 K N 0.089 120.390 120.400 -0.165 0.000 2.076 178 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 178 K C -0.163 176.109 176.600 -0.546 0.000 1.051 178 K CA 0.994 57.054 56.287 -0.379 0.000 0.949 178 K CB -0.045 32.180 32.500 -0.457 0.000 0.726 178 K HN 0.798 nan 8.250 nan 0.000 0.443 179 Y N -0.901 119.324 120.300 -0.125 0.000 2.528 179 Y HA 0.280 4.830 4.550 -0.000 0.000 0.335 179 Y C -0.168 175.620 175.900 -0.187 0.000 1.093 179 Y CA -1.312 56.716 58.100 -0.121 0.000 1.134 179 Y CB 0.778 39.219 38.460 -0.032 0.000 1.253 179 Y HN -0.129 nan 8.280 nan 0.000 0.478 180 Y N 0.684 121.067 120.300 0.139 0.000 2.260 180 Y HA 0.468 5.018 4.550 -0.000 0.000 0.339 180 Y C 0.612 176.488 175.900 -0.040 0.000 1.317 180 Y CA 0.001 58.124 58.100 0.039 0.000 1.514 180 Y CB 1.042 39.511 38.460 0.016 0.000 1.382 180 Y HN 0.609 nan 8.280 nan 0.000 0.581 181 S N -2.747 112.994 115.700 0.068 0.000 2.611 181 S HA 0.165 4.635 4.470 -0.000 0.000 0.268 181 S C 0.398 174.855 174.600 -0.239 0.000 1.156 181 S CA -0.322 57.774 58.200 -0.173 0.000 0.817 181 S CB 0.648 63.795 63.200 -0.089 0.000 1.122 181 S HN 0.762 nan 8.310 nan 0.000 0.466 182 T N -1.209 113.084 114.554 -0.434 0.000 2.869 182 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 182 T C 1.975 176.573 174.700 -0.171 0.000 1.082 182 T CA 1.639 63.404 62.100 -0.558 0.000 1.123 182 T CB -1.015 67.376 68.868 -0.796 0.000 0.856 182 T HN 1.277 nan 8.240 nan 0.000 0.499 183 A N 1.689 124.477 122.820 -0.055 0.000 1.978 183 A HA 0.048 4.368 4.320 -0.000 0.000 0.220 183 A C 2.714 180.393 177.584 0.159 0.000 1.170 183 A CA 1.839 53.917 52.037 0.068 0.000 0.636 183 A CB -1.069 17.966 19.000 0.059 0.000 0.810 183 A HN 0.923 nan 8.150 nan 0.000 0.448 184 V N -2.316 117.684 119.914 0.144 0.000 2.548 184 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 184 V C 1.649 177.896 176.094 0.254 0.000 1.055 184 V CA 2.283 64.710 62.300 0.211 0.000 1.065 184 V CB -0.762 31.203 31.823 0.235 0.000 0.681 184 V HN 0.350 nan 8.190 nan 0.000 0.462 185 D N 0.542 121.076 120.400 0.223 0.000 2.183 185 D HA -0.014 4.626 4.640 -0.000 0.000 0.203 185 D C 2.137 178.577 176.300 0.233 0.000 0.969 185 D CA 1.144 55.290 54.000 0.243 0.000 0.842 185 D CB -0.056 40.965 40.800 0.369 0.000 0.957 185 D HN 0.396 nan 8.370 nan 0.000 0.484 186 I N 0.328 121.052 120.570 0.255 0.000 2.252 186 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 186 I C 2.336 178.587 176.117 0.223 0.000 1.102 186 I CA 0.666 62.093 61.300 0.212 0.000 1.385 186 I CB -1.068 37.047 38.000 0.192 0.000 1.064 186 I HN 0.274 nan 8.210 nan 0.000 0.414 187 W N 1.923 123.290 121.300 0.111 0.000 2.317 187 W HA -0.284 4.376 4.660 -0.000 0.000 0.318 187 W C 2.592 179.216 176.519 0.174 0.000 1.227 187 W CA 2.094 59.513 57.345 0.124 0.000 1.269 187 W CB -0.378 29.149 29.460 0.112 0.000 1.155 187 W HN 0.101 nan 8.180 nan 0.000 0.484 188 S N 1.157 117.097 115.700 0.399 0.000 2.359 188 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 188 S C 1.971 176.677 174.600 0.176 0.000 1.035 188 S CA 1.704 60.102 58.200 0.330 0.000 1.018 188 S CB -0.798 62.542 63.200 0.234 0.000 0.876 188 S HN 0.256 nan 8.310 nan 0.000 0.448 189 L N 0.842 122.128 121.223 0.105 0.000 2.046 189 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 189 L C 2.770 179.703 176.870 0.104 0.000 1.077 189 L CA 1.266 56.150 54.840 0.074 0.000 0.747 189 L CB -1.324 40.768 42.059 0.055 0.000 0.896 189 L HN 0.445 nan 8.230 nan 0.000 0.432 190 G N -0.381 108.445 108.800 0.044 0.000 2.553 190 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 190 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 190 G C 1.598 176.477 174.900 -0.035 0.000 1.195 190 G CA 1.200 46.292 45.100 -0.014 0.000 0.779 190 G HN 0.458 nan 8.290 nan 0.000 0.577 191 C N 0.281 119.538 119.300 -0.072 0.000 2.411 191 C HA 0.034 4.494 4.460 -0.000 0.000 0.279 191 C C 2.851 177.928 174.990 0.144 0.000 1.288 191 C CA 0.529 59.546 59.018 -0.001 0.000 1.764 191 C CB -1.073 26.773 27.740 0.177 0.000 1.974 191 C HN 0.472 nan 8.230 nan 0.000 0.498 192 I N -0.070 120.636 120.570 0.227 0.000 2.286 192 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 192 I C 2.435 178.670 176.117 0.196 0.000 1.104 192 I CA 1.357 62.781 61.300 0.207 0.000 1.397 192 I CB -0.524 37.530 38.000 0.090 0.000 1.072 192 I HN 0.245 nan 8.210 nan 0.000 0.417 193 F N 2.329 122.293 119.950 0.023 0.000 2.095 193 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 193 F C 2.448 178.227 175.800 -0.035 0.000 1.104 193 F CA 1.361 59.367 58.000 0.011 0.000 1.232 193 F CB -0.786 38.203 39.000 -0.019 0.000 0.987 193 F HN 0.017 nan 8.300 nan 0.000 0.475 194 A N -0.225 122.402 122.820 -0.323 0.000 1.940 194 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 194 A C 2.291 179.712 177.584 -0.272 0.000 1.176 194 A CA 1.822 53.589 52.037 -0.449 0.000 0.631 194 A CB -1.007 17.749 19.000 -0.406 0.000 0.814 194 A HN 0.590 nan 8.150 nan 0.000 0.446 195 E N -0.778 119.347 120.200 -0.124 0.000 2.107 195 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 195 E C 2.042 178.629 176.600 -0.021 0.000 0.982 195 E CA 1.042 57.408 56.400 -0.056 0.000 0.809 195 E CB -0.164 29.572 29.700 0.061 0.000 0.756 195 E HN 0.669 nan 8.360 nan 0.000 0.459 196 M N -0.109 119.513 119.600 0.036 0.000 2.213 196 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 196 M C 2.191 178.495 176.300 0.007 0.000 1.062 196 M CA 0.948 56.292 55.300 0.073 0.000 1.105 196 M CB 0.080 32.801 32.600 0.202 0.000 1.385 196 M HN 0.075 nan 8.290 nan 0.000 0.417 197 V N -0.126 119.743 119.914 -0.075 0.000 2.323 197 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 197 V C 2.457 178.479 176.094 -0.120 0.000 1.041 197 V CA 2.246 64.474 62.300 -0.121 0.000 1.025 197 V CB -0.934 30.723 31.823 -0.276 0.000 0.656 197 V HN 0.603 nan 8.190 nan 0.000 0.451 198 T N -3.275 111.190 114.554 -0.148 0.000 3.081 198 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 198 T C 1.214 175.849 174.700 -0.107 0.000 1.100 198 T CA 0.251 62.267 62.100 -0.140 0.000 1.038 198 T CB -0.089 68.669 68.868 -0.184 0.000 0.962 198 T HN 0.441 nan 8.240 nan 0.000 0.516 199 R N -0.042 120.408 120.500 -0.083 0.000 3.977 199 R HA -0.125 4.215 4.340 -0.000 0.000 0.428 199 R C -0.422 175.841 176.300 -0.062 0.000 1.079 199 R CA 0.991 57.053 56.100 -0.064 0.000 1.269 199 R CB -0.996 29.266 30.300 -0.063 0.000 1.856 199 R HN 0.412 nan 8.270 nan 0.000 0.551 200 R N -0.468 119.977 120.500 -0.091 0.000 2.771 200 R HA 0.550 4.890 4.340 -0.000 0.000 0.274 200 R C -0.637 175.570 176.300 -0.155 0.000 0.987 200 R CA -0.205 55.828 56.100 -0.110 0.000 0.908 200 R CB 1.645 31.863 30.300 -0.136 0.000 1.213 200 R HN 0.125 nan 8.270 nan 0.000 0.468 201 A N 2.104 124.812 122.820 -0.187 0.000 2.520 201 A HA 0.049 4.369 4.320 -0.000 0.000 0.245 201 A C 1.183 178.509 177.584 -0.432 0.000 1.072 201 A CA -0.167 51.697 52.037 -0.289 0.000 0.761 201 A CB 0.163 18.863 19.000 -0.500 0.000 1.004 201 A HN 0.682 nan 8.150 nan 0.000 0.499 202 L N 2.524 123.457 121.223 -0.484 0.000 2.072 202 L HA 0.213 4.553 4.340 -0.000 0.000 0.205 202 L C 0.074 176.385 176.870 -0.933 0.000 1.079 202 L CA 1.768 56.159 54.840 -0.748 0.000 0.752 202 L CB -0.264 41.253 42.059 -0.903 0.000 0.906 202 L HN 0.574 nan 8.230 nan 0.000 0.436 203 F N 1.430 121.168 119.950 -0.354 0.000 2.564 203 F HA 0.428 4.955 4.527 -0.000 0.000 0.361 203 F C -2.211 173.206 175.800 -0.638 0.000 1.161 203 F CA -2.630 55.160 58.000 -0.351 0.000 1.198 203 F CB 0.432 39.345 39.000 -0.145 0.000 1.424 203 F HN 0.000 nan 8.300 nan 0.000 0.517 204 P HA 0.209 nan 4.420 nan 0.000 0.219 204 P C 0.536 177.435 177.300 -0.668 0.000 1.847 204 P CA 0.125 62.215 63.100 -1.682 0.000 1.059 204 P CB 0.654 31.416 31.700 -1.563 0.000 1.900 205 G N 1.622 110.282 108.800 -0.234 0.000 2.569 205 G HA2 0.074 4.034 3.960 -0.000 0.000 0.249 205 G HA3 0.074 4.034 3.960 -0.000 0.000 0.249 205 G C 0.337 175.365 174.900 0.213 0.000 1.216 205 G CA -0.262 44.862 45.100 0.040 0.000 0.845 205 G HN 0.139 nan 8.290 nan 0.000 0.568 206 D N -0.647 119.817 120.400 0.107 0.000 2.214 206 D HA 0.046 4.686 4.640 -0.000 0.000 0.217 206 D C 1.980 178.322 176.300 0.069 0.000 0.973 206 D CA 1.417 55.479 54.000 0.104 0.000 0.880 206 D CB 0.175 41.005 40.800 0.050 0.000 1.031 206 D HN 0.468 nan 8.370 nan 0.000 0.468 207 S N -0.601 115.110 115.700 0.017 0.000 2.795 207 S HA 0.335 4.805 4.470 -0.000 0.000 0.308 207 S C 1.015 175.598 174.600 -0.027 0.000 1.098 207 S CA -0.710 57.484 58.200 -0.009 0.000 0.934 207 S CB 1.721 64.896 63.200 -0.043 0.000 1.300 207 S HN -0.055 nan 8.310 nan 0.000 0.566 208 E N -0.184 119.990 120.200 -0.043 0.000 2.072 208 E HA -0.056 4.294 4.350 -0.000 0.000 0.190 208 E C 1.781 178.297 176.600 -0.140 0.000 0.982 208 E CA 0.932 57.299 56.400 -0.055 0.000 0.803 208 E CB -0.297 29.386 29.700 -0.027 0.000 0.755 208 E HN 0.574 nan 8.360 nan 0.000 0.453 209 I N 1.631 122.078 120.570 -0.205 0.000 2.439 209 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 209 I C 1.903 177.673 176.117 -0.577 0.000 1.139 209 I CA 1.314 62.356 61.300 -0.429 0.000 1.438 209 I CB 0.085 37.819 38.000 -0.443 0.000 1.085 209 I HN -0.076 nan 8.210 nan 0.000 0.427 210 D N -0.309 119.898 120.400 -0.321 0.000 2.144 210 D HA -0.249 4.391 4.640 -0.000 0.000 0.200 210 D C 2.126 178.350 176.300 -0.126 0.000 0.978 210 D CA 1.057 54.944 54.000 -0.188 0.000 0.833 210 D CB -0.025 40.725 40.800 -0.084 0.000 0.961 210 D HN 0.336 nan 8.370 nan 0.000 0.470 211 Q N -0.473 119.257 119.800 -0.117 0.000 2.119 211 Q HA -0.022 4.318 4.340 -0.000 0.000 0.201 211 Q C 1.866 177.738 176.000 -0.215 0.000 0.972 211 Q CA 0.838 56.584 55.803 -0.094 0.000 0.847 211 Q CB -0.423 28.304 28.738 -0.018 0.000 0.903 211 Q HN 0.314 nan 8.270 nan 0.000 0.433 212 L N -0.755 120.285 121.223 -0.305 0.000 2.044 212 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 212 L C 1.747 178.163 176.870 -0.757 0.000 1.075 212 L CA 1.526 56.034 54.840 -0.553 0.000 0.747 212 L CB -0.765 40.974 42.059 -0.533 0.000 0.903 212 L HN 0.218 nan 8.230 nan 0.000 0.435 213 F N 0.160 119.751 119.950 -0.598 0.000 2.171 213 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 213 F C 2.681 178.269 175.800 -0.354 0.000 1.090 213 F CA 1.061 58.874 58.000 -0.312 0.000 1.293 213 F CB -0.892 38.088 39.000 -0.033 0.000 1.013 213 F HN 0.106 nan 8.300 nan 0.000 0.486 214 R N 0.014 120.455 120.500 -0.098 0.000 2.096 214 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 214 R C 2.280 178.559 176.300 -0.034 0.000 1.127 214 R CA 1.392 57.449 56.100 -0.072 0.000 0.968 214 R CB -0.517 29.789 30.300 0.010 0.000 0.861 214 R HN 0.269 nan 8.270 nan 0.000 0.440 215 I N 0.110 120.488 120.570 -0.319 0.000 2.286 215 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 215 I C 1.732 177.930 176.117 0.135 0.000 1.115 215 I CA 1.141 62.134 61.300 -0.512 0.000 1.392 215 I CB -0.238 37.446 38.000 -0.528 0.000 1.065 215 I HN 0.050 nan 8.210 nan 0.000 0.418 216 F N 1.150 121.143 119.950 0.072 0.000 2.113 216 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 216 F C 2.663 178.514 175.800 0.085 0.000 1.103 216 F CA 1.079 59.200 58.000 0.203 0.000 1.248 216 F CB -1.269 37.947 39.000 0.360 0.000 0.999 216 F HN -0.046 nan 8.300 nan 0.000 0.475 217 R N -0.534 119.908 120.500 -0.097 0.000 2.139 217 R HA -0.141 4.199 4.340 -0.000 0.000 0.243 217 R C 1.998 178.248 176.300 -0.084 0.000 1.145 217 R CA 1.880 57.723 56.100 -0.428 0.000 0.976 217 R CB -0.675 29.191 30.300 -0.723 0.000 0.866 217 R HN 0.274 nan 8.270 nan 0.000 0.449 218 T N 0.681 115.278 114.554 0.072 0.000 2.837 218 T HA 0.067 4.417 4.350 -0.000 0.000 0.248 218 T C 1.557 176.347 174.700 0.151 0.000 1.033 218 T CA 0.725 62.896 62.100 0.119 0.000 1.150 218 T CB 0.091 69.101 68.868 0.236 0.000 0.865 218 T HN 0.107 nan 8.240 nan 0.000 0.425 219 L N 0.789 122.150 121.223 0.230 0.000 2.592 219 L HA 0.411 4.751 4.340 -0.000 0.000 0.227 219 L C 1.170 178.236 176.870 0.326 0.000 1.127 219 L CA -0.358 54.614 54.840 0.219 0.000 0.884 219 L CB -0.767 41.361 42.059 0.115 0.000 1.065 219 L HN 0.433 nan 8.230 nan 0.000 0.457 220 G N 0.180 109.167 108.800 0.311 0.000 2.758 220 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 220 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 220 G C -0.322 174.704 174.900 0.210 0.000 1.389 220 G CA -0.754 44.504 45.100 0.264 0.000 0.845 220 G HN -0.012 nan 8.290 nan 0.000 0.572 221 T N 4.261 118.793 114.554 -0.038 0.000 2.729 221 T HA 0.552 4.902 4.350 -0.000 0.000 0.296 221 T C -1.541 172.908 174.700 -0.418 0.000 0.928 221 T CA -0.292 61.488 62.100 -0.533 0.000 1.045 221 T CB 1.349 69.914 68.868 -0.505 0.000 0.902 221 T HN 0.642 nan 8.240 nan 0.000 0.500 222 P HA 0.199 nan 4.420 nan 0.000 0.268 222 P C -0.702 176.453 177.300 -0.241 0.000 1.205 222 P CA -0.281 62.547 63.100 -0.454 0.000 0.771 222 P CB 0.695 32.021 31.700 -0.624 0.000 0.858 223 D N 0.447 120.760 120.400 -0.145 0.000 2.650 223 D HA 0.179 4.819 4.640 -0.000 0.000 0.255 223 D C 0.887 177.127 176.300 -0.101 0.000 1.135 223 D CA -0.555 53.369 54.000 -0.127 0.000 1.099 223 D CB 0.259 41.011 40.800 -0.079 0.000 1.273 223 D HN 0.153 nan 8.370 nan 0.000 0.628 224 E N -0.570 119.567 120.200 -0.106 0.000 2.208 224 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 224 E C 2.026 178.624 176.600 -0.004 0.000 0.988 224 E CA 0.442 56.795 56.400 -0.079 0.000 0.828 224 E CB -0.063 29.580 29.700 -0.094 0.000 0.763 224 E HN 0.301 nan 8.360 nan 0.000 0.478 225 V N 0.837 120.752 119.914 0.002 0.000 2.223 225 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 225 V C 2.446 178.581 176.094 0.068 0.000 1.045 225 V CA 1.600 63.918 62.300 0.030 0.000 1.000 225 V CB -0.604 31.231 31.823 0.020 0.000 0.635 225 V HN 0.111 nan 8.190 nan 0.000 0.445 226 V N -1.678 118.276 119.914 0.067 0.000 2.515 226 V HA -0.114 4.006 4.120 -0.000 0.000 0.250 226 V C 0.476 176.678 176.094 0.180 0.000 1.058 226 V CA 1.218 63.576 62.300 0.096 0.000 1.064 226 V CB 0.146 32.006 31.823 0.062 0.000 0.675 226 V HN 0.715 nan 8.190 nan 0.000 0.461 227 W N 2.002 123.272 121.300 -0.051 0.000 2.563 227 W HA 0.476 5.136 4.660 -0.000 0.000 0.301 227 W C -3.104 173.381 176.519 -0.057 0.000 1.006 227 W CA -3.434 53.889 57.345 -0.036 0.000 1.382 227 W CB 0.969 30.371 29.460 -0.095 0.000 1.262 227 W HN 0.096 nan 8.180 nan 0.000 0.403 228 P HA 0.269 nan 4.420 nan 0.000 0.266 228 P C 0.793 178.095 177.300 0.003 0.000 1.215 228 P CA 1.581 64.741 63.100 0.101 0.000 0.763 228 P CB 0.752 32.520 31.700 0.113 0.000 0.806 229 G N 2.087 110.803 108.800 -0.139 0.000 2.176 229 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.232 229 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.232 229 G C 0.901 175.539 174.900 -0.436 0.000 0.986 229 G CA 0.079 45.047 45.100 -0.220 0.000 0.643 229 G HN 0.489 nan 8.290 nan 0.000 0.522 230 V N 0.982 120.505 119.914 -0.652 0.000 2.343 230 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 230 V C 2.798 178.397 176.094 -0.825 0.000 1.051 230 V CA 3.599 65.324 62.300 -0.959 0.000 1.036 230 V CB -0.636 30.599 31.823 -0.980 0.000 0.654 230 V HN 0.547 nan 8.190 nan 0.000 0.451 231 T N -0.041 114.043 114.554 -0.783 0.000 2.759 231 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 231 T C 1.986 176.468 174.700 -0.364 0.000 1.042 231 T CA 1.875 63.499 62.100 -0.792 0.000 1.140 231 T CB -0.338 68.252 68.868 -0.464 0.000 0.864 231 T HN 0.608 nan 8.240 nan 0.000 0.455 232 S N 0.978 116.508 115.700 -0.283 0.000 2.402 232 S HA 0.146 4.616 4.470 -0.000 0.000 0.229 232 S C 0.970 175.491 174.600 -0.132 0.000 1.021 232 S CA 0.405 58.507 58.200 -0.164 0.000 0.974 232 S CB -0.426 62.689 63.200 -0.142 0.000 0.800 232 S HN 0.486 nan 8.310 nan 0.000 0.484 233 M N 1.969 121.458 119.600 -0.185 0.000 2.240 233 M HA 0.000 4.480 4.480 -0.000 0.000 0.346 233 M C -1.648 174.628 176.300 -0.040 0.000 1.236 233 M CA -0.860 54.363 55.300 -0.129 0.000 0.986 233 M CB -0.184 32.297 32.600 -0.198 0.000 1.786 233 M HN -0.051 nan 8.290 nan 0.000 0.457 234 P HA -0.175 nan 4.420 nan 0.000 0.216 234 P C 0.255 177.551 177.300 -0.008 0.000 1.150 234 P CA 1.398 64.481 63.100 -0.030 0.000 0.843 234 P CB 0.172 31.846 31.700 -0.044 0.000 0.787 235 D N -3.429 116.986 120.400 0.025 0.000 2.395 235 D HA 0.041 4.681 4.640 -0.000 0.000 0.213 235 D C 0.210 176.574 176.300 0.107 0.000 1.110 235 D CA -0.263 53.767 54.000 0.049 0.000 0.835 235 D CB -0.247 40.591 40.800 0.063 0.000 0.965 235 D HN 0.188 nan 8.370 nan 0.000 0.505 236 Y N 2.109 122.395 120.300 -0.023 0.000 2.397 236 Y HA 0.128 4.678 4.550 -0.000 0.000 0.335 236 Y C 0.107 175.778 175.900 -0.382 0.000 1.213 236 Y CA 0.122 58.180 58.100 -0.069 0.000 1.391 236 Y CB 0.518 38.932 38.460 -0.076 0.000 1.293 236 Y HN -0.366 nan 8.280 nan 0.000 0.557 237 K N 6.486 125.896 120.400 -1.650 0.000 2.371 237 K HA 0.291 4.611 4.320 -0.000 0.000 0.251 237 K C -2.347 173.513 176.600 -1.234 0.000 0.934 237 K CA -2.087 53.449 56.287 -1.252 0.000 0.798 237 K CB 1.482 33.263 32.500 -1.199 0.000 1.204 237 K HN 0.325 nan 8.250 nan 0.000 0.427 238 P HA -0.145 nan 4.420 nan 0.000 0.217 238 P C 0.865 178.026 177.300 -0.231 0.000 1.150 238 P CA 1.217 64.186 63.100 -0.218 0.000 0.832 238 P CB 0.228 31.865 31.700 -0.106 0.000 0.787 239 S N -2.242 113.296 115.700 -0.269 0.000 2.660 239 S HA 0.007 4.477 4.470 -0.000 0.000 0.223 239 S C 0.495 175.072 174.600 -0.038 0.000 0.963 239 S CA -0.183 57.933 58.200 -0.140 0.000 0.932 239 S CB -1.259 61.881 63.200 -0.099 0.000 0.775 239 S HN -0.156 nan 8.310 nan 0.000 0.531 240 F N 3.539 123.369 119.950 -0.200 0.000 2.578 240 F HA 0.368 4.895 4.527 -0.000 0.000 0.376 240 F C -2.015 173.595 175.800 -0.316 0.000 1.085 240 F CA -2.889 54.996 58.000 -0.192 0.000 1.260 240 F CB -0.616 38.255 39.000 -0.215 0.000 1.095 240 F HN 0.049 nan 8.300 nan 0.000 0.573 241 P HA 0.001 nan 4.420 nan 0.000 0.266 241 P C -0.799 176.113 177.300 -0.646 0.000 1.195 241 P CA -0.043 62.612 63.100 -0.740 0.000 0.768 241 P CB 0.455 31.175 31.700 -1.634 0.000 0.838 242 K N 2.900 122.993 120.400 -0.513 0.000 2.231 242 K HA 0.206 4.526 4.320 -0.000 0.000 0.255 242 K C -0.596 175.843 176.600 -0.270 0.000 1.108 242 K CA -0.096 56.003 56.287 -0.314 0.000 0.997 242 K CB -0.033 32.360 32.500 -0.179 0.000 1.549 242 K HN 0.419 nan 8.250 nan 0.000 0.419 243 W N 1.502 122.747 121.300 -0.092 0.000 2.251 243 W HA 0.407 5.067 4.660 -0.000 0.000 0.329 243 W C 0.520 177.028 176.519 -0.018 0.000 1.234 243 W CA -1.331 55.990 57.345 -0.040 0.000 1.228 243 W CB 0.832 30.291 29.460 -0.002 0.000 1.135 243 W HN 0.366 nan 8.180 nan 0.000 0.576 244 A N 3.520 126.493 122.820 0.255 0.000 2.327 244 A HA 0.393 4.713 4.320 -0.000 0.000 0.283 244 A C 0.342 178.013 177.584 0.146 0.000 1.127 244 A CA -0.684 51.442 52.037 0.149 0.000 0.810 244 A CB 0.304 19.368 19.000 0.107 0.000 1.066 244 A HN 0.668 nan 8.150 nan 0.000 0.492 245 R N 2.134 122.706 120.500 0.120 0.000 2.502 245 R HA 0.047 4.387 4.340 -0.000 0.000 0.292 245 R C -0.268 176.077 176.300 0.074 0.000 0.998 245 R CA 0.508 56.675 56.100 0.110 0.000 1.056 245 R CB 0.170 30.529 30.300 0.099 0.000 0.939 245 R HN 0.819 nan 8.270 nan 0.000 0.411 246 Q N 2.172 122.008 119.800 0.060 0.000 2.260 246 Q HA 0.049 4.389 4.340 -0.000 0.000 0.242 246 Q C -0.691 175.315 176.000 0.010 0.000 0.932 246 Q CA -0.658 55.161 55.803 0.026 0.000 0.891 246 Q CB 1.073 29.815 28.738 0.006 0.000 1.222 246 Q HN 0.564 nan 8.270 nan 0.000 0.453 247 D N 0.837 121.237 120.400 -0.001 0.000 2.412 247 D HA -0.041 4.599 4.640 -0.000 0.000 0.257 247 D C 0.442 176.723 176.300 -0.031 0.000 1.217 247 D CA 0.299 54.292 54.000 -0.011 0.000 0.897 247 D CB 0.354 41.147 40.800 -0.012 0.000 1.132 247 D HN 0.614 nan 8.370 nan 0.000 0.493 248 F N 2.209 122.137 119.950 -0.036 0.000 2.494 248 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 248 F C 2.333 178.087 175.800 -0.078 0.000 1.106 248 F CA 1.200 59.161 58.000 -0.065 0.000 1.452 248 F CB -0.926 38.033 39.000 -0.068 0.000 1.085 248 F HN 0.589 nan 8.300 nan 0.000 0.569 249 S N -1.179 114.487 115.700 -0.056 0.000 2.453 249 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 249 S C 1.622 176.185 174.600 -0.063 0.000 1.005 249 S CA 1.211 59.377 58.200 -0.056 0.000 0.949 249 S CB -0.485 62.693 63.200 -0.037 0.000 0.774 249 S HN 0.724 nan 8.310 nan 0.000 0.510 250 K N 0.482 120.845 120.400 -0.061 0.000 2.356 250 K HA 0.244 4.564 4.320 -0.000 0.000 0.195 250 K C 1.572 178.118 176.600 -0.090 0.000 1.037 250 K CA 0.512 56.760 56.287 -0.065 0.000 1.014 250 K CB 0.150 32.620 32.500 -0.050 0.000 0.815 250 K HN 0.256 nan 8.250 nan 0.000 0.507 251 V N 0.762 120.613 119.914 -0.105 0.000 2.500 251 V HA -0.057 4.063 4.120 -0.000 0.000 0.243 251 V C 1.058 177.044 176.094 -0.180 0.000 1.039 251 V CA 0.757 62.970 62.300 -0.146 0.000 1.053 251 V CB 0.556 32.289 31.823 -0.149 0.000 0.695 251 V HN 0.114 nan 8.190 nan 0.000 0.463 252 V N -2.769 117.040 119.914 -0.174 0.000 2.320 252 V HA 0.443 4.563 4.120 -0.000 0.000 0.257 252 V C -1.854 174.154 176.094 -0.144 0.000 0.996 252 V CA -1.609 60.573 62.300 -0.197 0.000 0.928 252 V CB 0.359 32.014 31.823 -0.280 0.000 1.169 252 V HN 0.185 nan 8.190 nan 0.000 0.475 253 P HA -0.088 nan 4.420 nan 0.000 0.217 253 P C -1.208 176.052 177.300 -0.066 0.000 1.158 253 P CA 2.113 65.165 63.100 -0.080 0.000 0.887 253 P CB -0.907 30.750 31.700 -0.072 0.000 0.792 254 P HA 0.118 nan 4.420 nan 0.000 0.256 254 P C -0.110 177.174 177.300 -0.025 0.000 1.384 254 P CA 0.303 63.378 63.100 -0.042 0.000 0.879 254 P CB -0.031 31.646 31.700 -0.039 0.000 1.403 255 L N 1.272 122.466 121.223 -0.049 0.000 2.289 255 L HA 0.221 4.561 4.340 -0.000 0.000 0.285 255 L C 0.676 177.551 176.870 0.008 0.000 1.049 255 L CA -0.887 53.939 54.840 -0.024 0.000 0.804 255 L CB 1.005 42.990 42.059 -0.125 0.000 1.195 255 L HN -0.007 nan 8.230 nan 0.000 0.428 256 D N 1.318 121.765 120.400 0.078 0.000 2.352 256 D HA -0.083 4.557 4.640 -0.000 0.000 0.238 256 D C 0.807 177.140 176.300 0.056 0.000 1.286 256 D CA -0.139 53.908 54.000 0.079 0.000 0.923 256 D CB 0.692 41.568 40.800 0.127 0.000 1.146 256 D HN 0.517 nan 8.370 nan 0.000 0.471 257 E N -0.697 119.536 120.200 0.055 0.000 2.085 257 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 257 E C 1.423 178.063 176.600 0.067 0.000 0.994 257 E CA 1.475 57.902 56.400 0.044 0.000 0.801 257 E CB -0.065 29.660 29.700 0.041 0.000 0.743 257 E HN 0.453 nan 8.360 nan 0.000 0.453 258 D N -0.055 120.423 120.400 0.129 0.000 2.117 258 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 258 D C 2.007 178.327 176.300 0.033 0.000 0.987 258 D CA 1.321 55.456 54.000 0.225 0.000 0.829 258 D CB -0.709 40.297 40.800 0.344 0.000 0.961 258 D HN 0.277 nan 8.370 nan 0.000 0.460 259 G N 0.859 109.591 108.800 -0.113 0.000 2.476 259 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.218 259 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.218 259 G C 1.724 176.454 174.900 -0.283 0.000 1.164 259 G CA 0.668 45.443 45.100 -0.542 0.000 0.768 259 G HN 0.238 nan 8.290 nan 0.000 0.560 260 R N 0.124 120.536 120.500 -0.146 0.000 2.073 260 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 260 R C 2.955 179.214 176.300 -0.070 0.000 1.134 260 R CA 1.355 57.388 56.100 -0.111 0.000 0.952 260 R CB -0.658 29.602 30.300 -0.068 0.000 0.850 260 R HN 0.417 nan 8.270 nan 0.000 0.433 261 S N 1.120 116.815 115.700 -0.008 0.000 2.368 261 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 261 S C 1.928 176.544 174.600 0.026 0.000 1.044 261 S CA 1.515 59.766 58.200 0.086 0.000 1.062 261 S CB -0.231 63.107 63.200 0.231 0.000 0.931 261 S HN 0.252 nan 8.310 nan 0.000 0.440 262 L N 1.011 122.085 121.223 -0.248 0.000 2.027 262 L HA 0.093 4.433 4.340 -0.000 0.000 0.206 262 L C 2.252 179.004 176.870 -0.197 0.000 1.074 262 L CA 1.794 56.317 54.840 -0.530 0.000 0.745 262 L CB -0.855 40.617 42.059 -0.978 0.000 0.898 262 L HN 0.468 nan 8.230 nan 0.000 0.433 263 L N -0.591 120.568 121.223 -0.107 0.000 2.046 263 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 263 L C 2.750 179.572 176.870 -0.080 0.000 1.077 263 L CA 2.139 56.954 54.840 -0.042 0.000 0.747 263 L CB -0.867 41.108 42.059 -0.141 0.000 0.896 263 L HN 0.600 nan 8.230 nan 0.000 0.432 264 S N -1.673 113.990 115.700 -0.062 0.000 2.419 264 S HA -0.227 4.243 4.470 -0.000 0.000 0.233 264 S C 1.844 176.464 174.600 0.034 0.000 1.016 264 S CA 1.210 59.394 58.200 -0.027 0.000 0.974 264 S CB -0.546 62.657 63.200 0.005 0.000 0.786 264 S HN 0.695 nan 8.310 nan 0.000 0.492 265 Q N 0.081 119.907 119.800 0.043 0.000 2.212 265 Q HA 0.201 4.541 4.340 -0.000 0.000 0.199 265 Q C 2.211 178.259 176.000 0.081 0.000 0.950 265 Q CA 1.098 56.955 55.803 0.089 0.000 0.863 265 Q CB -0.224 28.556 28.738 0.069 0.000 0.944 265 Q HN 0.624 nan 8.270 nan 0.000 0.465 266 M N 0.092 119.706 119.600 0.024 0.000 2.254 266 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 266 M C 1.186 177.477 176.300 -0.014 0.000 1.066 266 M CA 1.066 56.382 55.300 0.026 0.000 1.123 266 M CB 0.233 32.834 32.600 0.001 0.000 1.388 266 M HN 0.115 nan 8.290 nan 0.000 0.425 267 L N -0.811 120.336 121.223 -0.125 0.000 2.783 267 L HA 0.149 4.489 4.340 -0.000 0.000 0.236 267 L C 0.270 177.133 176.870 -0.011 0.000 1.225 267 L CA -0.481 54.162 54.840 -0.328 0.000 1.026 267 L CB -1.021 40.738 42.059 -0.501 0.000 1.314 267 L HN 0.173 nan 8.230 nan 0.000 0.489 268 H N -1.263 117.822 119.070 0.026 0.000 2.897 268 H HA -0.044 4.512 4.556 -0.000 0.000 0.347 268 H C 0.625 175.958 175.328 0.009 0.000 1.068 268 H CA 0.610 56.668 56.048 0.017 0.000 1.426 268 H CB 0.729 30.503 29.762 0.020 0.000 1.410 268 H HN 0.016 nan 8.280 nan 0.000 0.597 269 Y N 1.170 121.252 120.300 -0.364 0.000 2.109 269 Y HA -0.134 4.416 4.550 -0.000 0.000 0.281 269 Y C 1.246 176.507 175.900 -1.066 0.000 1.113 269 Y CA 1.665 59.440 58.100 -0.541 0.000 1.098 269 Y CB -0.263 37.934 38.460 -0.439 0.000 0.996 269 Y HN 0.680 nan 8.280 nan 0.000 0.485 270 D N 0.981 120.935 120.400 -0.744 0.000 2.451 270 D HA -0.043 4.597 4.640 -0.000 0.000 0.254 270 D C -1.934 174.222 176.300 -0.239 0.000 1.204 270 D CA -1.132 52.416 54.000 -0.753 0.000 0.896 270 D CB 1.160 41.870 40.800 -0.149 0.000 1.136 270 D HN 0.071 nan 8.370 nan 0.000 0.499 271 P HA -0.113 nan 4.420 nan 0.000 0.218 271 P C 0.941 178.251 177.300 0.018 0.000 1.148 271 P CA 0.804 63.895 63.100 -0.017 0.000 0.822 271 P CB 0.296 32.031 31.700 0.059 0.000 0.784 272 N N -0.830 117.890 118.700 0.034 0.000 2.331 272 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 272 N C 1.315 176.822 175.510 -0.004 0.000 1.019 272 N CA 1.012 54.080 53.050 0.030 0.000 0.881 272 N CB -0.114 38.408 38.487 0.059 0.000 0.972 272 N HN 0.153 nan 8.380 nan 0.000 0.435 273 K N 0.769 121.153 120.400 -0.027 0.000 2.334 273 K HA 0.087 4.407 4.320 -0.000 0.000 0.195 273 K C 0.764 177.197 176.600 -0.280 0.000 1.045 273 K CA -0.144 56.041 56.287 -0.169 0.000 1.004 273 K CB 0.206 32.561 32.500 -0.242 0.000 0.837 273 K HN 0.131 nan 8.250 nan 0.000 0.510 274 R N 1.598 122.042 120.500 -0.094 0.000 2.638 274 R HA 0.017 4.357 4.340 -0.000 0.000 0.268 274 R C 0.170 176.470 176.300 0.000 0.000 1.006 274 R CA 0.023 56.130 56.100 0.012 0.000 1.088 274 R CB 0.099 30.472 30.300 0.122 0.000 0.950 274 R HN 0.075 nan 8.270 nan 0.000 0.419 275 I N 3.048 123.635 120.570 0.028 0.000 2.754 275 I HA -0.049 4.121 4.170 -0.000 0.000 0.285 275 I C 0.236 176.399 176.117 0.076 0.000 1.166 275 I CA 0.408 61.736 61.300 0.047 0.000 1.417 275 I CB 0.816 38.857 38.000 0.068 0.000 1.382 275 I HN 0.810 nan 8.210 nan 0.000 0.588 276 S N 5.675 121.424 115.700 0.080 0.000 2.652 276 S HA 0.472 4.942 4.470 -0.000 0.000 0.270 276 S C 0.966 175.643 174.600 0.129 0.000 1.243 276 S CA -0.226 58.038 58.200 0.106 0.000 0.999 276 S CB 1.685 64.941 63.200 0.093 0.000 0.973 276 S HN 0.811 nan 8.310 nan 0.000 0.544 277 A N 1.537 124.455 122.820 0.164 0.000 1.902 277 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 277 A C 2.155 179.794 177.584 0.093 0.000 1.181 277 A CA 1.802 53.911 52.037 0.121 0.000 0.623 277 A CB -1.012 18.050 19.000 0.103 0.000 0.818 277 A HN 0.951 nan 8.150 nan 0.000 0.443 278 K N -0.444 120.017 120.400 0.102 0.000 2.044 278 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 278 K C 2.149 178.810 176.600 0.101 0.000 1.049 278 K CA 1.544 57.882 56.287 0.085 0.000 0.927 278 K CB -0.328 32.223 32.500 0.085 0.000 0.713 278 K HN 0.417 nan 8.250 nan 0.000 0.443 279 A N 0.573 123.461 122.820 0.112 0.000 1.897 279 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 279 A C 2.264 179.962 177.584 0.189 0.000 1.181 279 A CA 1.631 53.746 52.037 0.130 0.000 0.620 279 A CB -0.691 18.374 19.000 0.108 0.000 0.821 279 A HN 0.460 nan 8.150 nan 0.000 0.443 280 A N -0.060 122.880 122.820 0.200 0.000 1.972 280 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 280 A C 2.072 179.923 177.584 0.444 0.000 1.169 280 A CA 1.422 53.633 52.037 0.289 0.000 0.635 280 A CB -0.638 18.495 19.000 0.220 0.000 0.810 280 A HN 0.488 nan 8.150 nan 0.000 0.446 281 L N -1.089 120.307 121.223 0.287 0.000 2.187 281 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 281 L C 2.768 179.885 176.870 0.410 0.000 1.100 281 L CA 1.055 56.064 54.840 0.282 0.000 0.765 281 L CB -0.372 41.736 42.059 0.080 0.000 0.904 281 L HN 0.439 nan 8.230 nan 0.000 0.437 282 A N -2.353 120.658 122.820 0.319 0.000 2.218 282 A HA -0.055 4.265 4.320 -0.000 0.000 0.209 282 A C 1.016 178.762 177.584 0.270 0.000 1.168 282 A CA -0.118 52.072 52.037 0.254 0.000 0.804 282 A CB -0.538 18.561 19.000 0.164 0.000 0.834 282 A HN 0.317 nan 8.150 nan 0.000 0.482 283 H N 1.253 120.481 119.070 0.264 0.000 3.001 283 H HA 0.043 4.599 4.556 -0.000 0.000 0.334 283 H C -1.404 174.022 175.328 0.163 0.000 1.034 283 H CA -0.978 55.185 56.048 0.191 0.000 1.420 283 H CB 1.065 30.934 29.762 0.178 0.000 1.405 283 H HN 0.069 nan 8.280 nan 0.000 0.593 284 P HA -0.270 nan 4.420 nan 0.000 0.218 284 P C 1.583 178.964 177.300 0.135 0.000 1.154 284 P CA 1.186 64.292 63.100 0.009 0.000 0.872 284 P CB -0.268 31.367 31.700 -0.108 0.000 0.790 285 F N -0.109 119.905 119.950 0.107 0.000 2.176 285 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 285 F C 1.619 177.216 175.800 -0.338 0.000 1.071 285 F CA 1.516 59.404 58.000 -0.186 0.000 1.289 285 F CB -0.826 37.898 39.000 -0.460 0.000 1.028 285 F HN -0.212 nan 8.300 nan 0.000 0.494 286 F N -0.185 119.766 119.950 0.001 0.000 2.693 286 F HA 0.136 4.663 4.527 -0.000 0.000 0.303 286 F C 2.045 177.686 175.800 -0.264 0.000 1.097 286 F CA -0.013 57.838 58.000 -0.249 0.000 1.330 286 F CB -0.991 37.889 39.000 -0.201 0.000 1.067 286 F HN -0.005 nan 8.300 nan 0.000 0.565 287 Q N 0.511 120.292 119.800 -0.031 0.000 2.135 287 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 287 Q C 0.940 176.885 176.000 -0.092 0.000 0.981 287 Q CA 1.665 57.442 55.803 -0.043 0.000 0.856 287 Q CB -0.157 28.565 28.738 -0.028 0.000 0.902 287 Q HN 0.444 nan 8.270 nan 0.000 0.425 288 D N -0.720 119.598 120.400 -0.138 0.000 2.525 288 D HA 0.034 4.674 4.640 -0.000 0.000 0.229 288 D C -0.035 176.163 176.300 -0.170 0.000 1.202 288 D CA -0.237 53.681 54.000 -0.137 0.000 0.828 288 D CB -0.112 40.613 40.800 -0.125 0.000 1.008 288 D HN -0.097 nan 8.370 nan 0.000 0.493 289 V N 1.742 121.525 119.914 -0.219 0.000 2.585 289 V HA 0.261 4.381 4.120 -0.000 0.000 0.296 289 V C 0.595 176.578 176.094 -0.185 0.000 1.035 289 V CA 0.622 62.769 62.300 -0.256 0.000 1.084 289 V CB 0.618 32.136 31.823 -0.509 0.000 0.953 289 V HN 0.572 nan 8.190 nan 0.000 0.483 290 T N 3.442 117.921 114.554 -0.124 0.000 2.804 290 T HA 0.509 4.859 4.350 -0.000 0.000 0.272 290 T C -0.349 174.327 174.700 -0.040 0.000 0.986 290 T CA -0.829 61.227 62.100 -0.074 0.000 0.999 290 T CB 1.513 70.344 68.868 -0.061 0.000 1.307 290 T HN 0.612 nan 8.240 nan 0.000 0.586 291 K N 1.865 122.253 120.400 -0.020 0.000 2.624 291 K HA 0.427 4.747 4.320 -0.000 0.000 0.200 291 K C -2.729 173.860 176.600 -0.017 0.000 1.036 291 K CA -1.649 54.638 56.287 0.000 0.000 1.029 291 K CB 0.507 33.023 32.500 0.026 0.000 1.317 291 K HN 0.431 nan 8.250 nan 0.000 0.555 292 P HA 0.098 nan 4.420 nan 0.000 0.276 292 P C -0.656 176.615 177.300 -0.048 0.000 1.244 292 P CA -0.730 62.343 63.100 -0.045 0.000 0.801 292 P CB 0.936 32.599 31.700 -0.061 0.000 1.006 293 V N -0.936 118.962 119.914 -0.028 0.000 2.546 293 V HA 0.520 4.640 4.120 -0.000 0.000 0.284 293 V C -2.048 174.035 176.094 -0.018 0.000 1.050 293 V CA -1.847 60.438 62.300 -0.025 0.000 0.981 293 V CB 0.378 32.194 31.823 -0.011 0.000 0.990 293 V HN 0.495 nan 8.190 nan 0.000 0.474 294 P HA 0.255 nan 4.420 nan 0.000 0.279 294 P C -0.876 176.450 177.300 0.043 0.000 1.252 294 P CA -0.295 62.784 63.100 -0.034 0.000 0.811 294 P CB 0.724 32.206 31.700 -0.364 0.000 1.035 295 H N 2.751 121.886 119.070 0.107 0.000 2.741 295 H HA 0.331 4.887 4.556 -0.000 0.000 0.282 295 H C -0.640 174.790 175.328 0.171 0.000 1.122 295 H CA -0.372 55.740 56.048 0.107 0.000 1.293 295 H CB -0.090 29.741 29.762 0.115 0.000 1.415 295 H HN 0.261 nan 8.280 nan 0.000 0.472 296 L N 4.232 125.294 121.223 -0.269 0.000 2.387 296 L HA 0.547 4.887 4.340 -0.000 0.000 0.266 296 L C 0.603 177.324 176.870 -0.248 0.000 1.059 296 L CA -1.052 53.686 54.840 -0.170 0.000 0.801 296 L CB 1.409 43.352 42.059 -0.192 0.000 1.223 296 L HN 0.473 nan 8.230 nan 0.000 0.456 297 R N 0.579 121.033 120.500 -0.076 0.000 2.787 297 R HA 0.710 5.050 4.340 -0.000 0.000 0.271 297 R C -0.008 176.295 176.300 0.005 0.000 0.993 297 R CA -0.784 55.288 56.100 -0.046 0.000 0.993 297 R CB 1.328 31.636 30.300 0.013 0.000 1.155 297 R HN 0.443 nan 8.270 nan 0.000 0.486 298 L N 0.000 121.234 121.223 0.018 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.868 54.840 0.047 0.000 0.813 298 L CB 0.000 42.084 42.059 0.043 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502