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 3i4k_1_F DATA FIRST_RESID 5 DATA SEQUENCE DLTIQKVESR ILDVPLIRPH GFATTTSTEQ HILLVSVHLE NGVIGYGEGV DATA SEQUENCE VPGGPWWGGE SVETXKALVD GYLAPVLIGR AVSELAGIXA DLERVVARAR DATA SEQUENCE YAKAAVDVAX HDAWARSLNV PVRDLLGGTV RDKVDVTWAL GVLPLDVAVA DATA SEQUENCE EIEERIEEFG NRSFKLKXGA GDPAEDTRRV AELAREVGDR VSLRIDINAR DATA SEQUENCE WDRRTALHYL PILAEAGVEL FEQPTPADDL ETLREITRRT NVSVXADESV DATA SEQUENCE WTPAEALAVV KAQAADVIAL KTTKHGGLLE SKKIAAIAEA GGLACHGATS DATA SEQUENCE LEGPIGTAAS LQFAASTKAI SYGTELFGPQ LLKDTYIVQE FEYKDGQVAI DATA SEQUENCE PQGPGLGVDV DXDKVNFYTR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.299 176.300 -0.002 0.000 2.045 5 D CA 0.000 54.001 54.000 0.001 0.000 0.868 5 D CB 0.000 40.806 40.800 0.010 0.000 0.688 6 L N 1.749 122.962 121.223 -0.016 0.000 2.591 6 L HA 0.376 4.716 4.340 -0.001 0.000 0.228 6 L C 0.289 177.117 176.870 -0.071 0.000 1.133 6 L CA 0.821 55.639 54.840 -0.037 0.000 0.880 6 L CB -0.651 41.371 42.059 -0.061 0.000 1.033 6 L HN 0.089 nan 8.230 nan 0.000 0.450 7 T N 0.980 115.503 114.554 -0.052 0.000 2.871 7 T HA 0.057 4.406 4.350 -0.001 0.000 0.296 7 T C 0.448 175.121 174.700 -0.045 0.000 0.998 7 T CA 0.020 62.088 62.100 -0.054 0.000 1.162 7 T CB 0.236 69.083 68.868 -0.035 0.000 0.947 7 T HN -0.160 nan 8.240 nan 0.000 0.536 8 I N 4.644 125.180 120.570 -0.056 0.000 2.421 8 I HA 0.071 4.241 4.170 -0.001 0.000 0.291 8 I C 1.523 177.631 176.117 -0.014 0.000 1.089 8 I CA 0.397 61.674 61.300 -0.037 0.000 1.354 8 I CB 0.992 38.961 38.000 -0.052 0.000 1.413 8 I HN 0.593 nan 8.210 nan 0.000 0.513 9 Q N 4.838 124.643 119.800 0.009 0.000 2.165 9 Q HA 0.139 4.478 4.340 -0.001 0.000 0.197 9 Q C 0.656 176.666 176.000 0.017 0.000 0.952 9 Q CA 0.877 56.686 55.803 0.010 0.000 0.848 9 Q CB 0.413 29.160 28.738 0.014 0.000 0.931 9 Q HN 0.617 nan 8.270 nan 0.000 0.470 10 K N -0.346 120.089 120.400 0.058 0.000 2.555 10 K HA 0.428 4.748 4.320 -0.001 0.000 0.279 10 K C -1.688 175.018 176.600 0.176 0.000 0.986 10 K CA -0.580 55.749 56.287 0.071 0.000 0.880 10 K CB 2.350 34.843 32.500 -0.012 0.000 1.474 10 K HN -0.110 nan 8.250 nan 0.000 0.433 11 V N -0.662 119.341 119.914 0.147 0.000 2.567 11 V HA 0.560 4.679 4.120 -0.001 0.000 0.298 11 V C -1.096 175.079 176.094 0.136 0.000 1.047 11 V CA -0.787 61.599 62.300 0.143 0.000 0.880 11 V CB 1.364 33.219 31.823 0.054 0.000 1.009 11 V HN 0.847 nan 8.190 nan 0.000 0.429 12 E N 2.770 123.084 120.200 0.190 0.000 2.235 12 E HA 0.827 5.177 4.350 -0.001 0.000 0.265 12 E C -0.576 176.100 176.600 0.125 0.000 0.940 12 E CA -0.797 55.694 56.400 0.152 0.000 0.819 12 E CB 2.305 32.130 29.700 0.208 0.000 1.206 12 E HN 0.981 nan 8.360 nan 0.000 0.409 13 S N 1.599 117.359 115.700 0.099 0.000 2.614 13 S HA 0.595 5.064 4.470 -0.001 0.000 0.288 13 S C -0.709 173.937 174.600 0.076 0.000 1.137 13 S CA -1.072 57.182 58.200 0.089 0.000 0.992 13 S CB 1.246 64.489 63.200 0.071 0.000 1.026 13 S HN 0.445 nan 8.310 nan 0.000 0.486 14 R N 2.172 122.719 120.500 0.078 0.000 2.621 14 R HA 0.558 4.897 4.340 -0.001 0.000 0.292 14 R C -0.862 175.457 176.300 0.033 0.000 0.969 14 R CA -0.734 55.398 56.100 0.053 0.000 0.887 14 R CB 1.837 32.172 30.300 0.059 0.000 1.180 14 R HN 0.640 nan 8.270 nan 0.000 0.450 15 I N 4.449 125.030 120.570 0.019 0.000 2.371 15 I HA 0.213 4.382 4.170 -0.001 0.000 0.290 15 I C -0.189 175.927 176.117 -0.001 0.000 1.028 15 I CA -0.362 60.944 61.300 0.010 0.000 1.345 15 I CB 0.727 38.727 38.000 0.000 0.000 1.407 15 I HN 0.330 nan 8.210 nan 0.000 0.501 16 L N 6.169 127.381 121.223 -0.017 0.000 2.317 16 L HA 0.437 4.776 4.340 -0.001 0.000 0.281 16 L C -0.648 176.223 176.870 0.001 0.000 1.024 16 L CA -0.658 54.153 54.840 -0.049 0.000 0.810 16 L CB 1.523 43.459 42.059 -0.204 0.000 1.240 16 L HN 0.486 nan 8.230 nan 0.000 0.427 17 D N 3.219 123.639 120.400 0.034 0.000 2.458 17 D HA 0.192 4.832 4.640 -0.001 0.000 0.258 17 D C -0.598 175.688 176.300 -0.024 0.000 1.134 17 D CA 0.018 54.066 54.000 0.080 0.000 0.915 17 D CB 2.322 43.202 40.800 0.132 0.000 1.028 17 D HN 0.089 nan 8.370 nan 0.000 0.508 18 V N 2.913 122.723 119.914 -0.174 0.000 2.509 18 V HA 0.408 4.527 4.120 -0.001 0.000 0.284 18 V C -2.524 173.459 176.094 -0.184 0.000 1.047 18 V CA -2.023 60.055 62.300 -0.370 0.000 0.952 18 V CB 1.906 33.479 31.823 -0.418 0.000 0.988 18 V HN 0.162 nan 8.190 nan 0.000 0.469 19 P HA 0.311 nan 4.420 nan 0.000 0.279 19 P C -0.961 176.318 177.300 -0.036 0.000 1.239 19 P CA -0.342 62.738 63.100 -0.033 0.000 0.789 19 P CB 0.762 32.488 31.700 0.044 0.000 0.933 20 L N 2.800 124.010 121.223 -0.021 0.000 2.454 20 L HA 0.295 4.635 4.340 -0.001 0.000 0.256 20 L C 1.736 178.614 176.870 0.014 0.000 1.136 20 L CA -0.042 54.789 54.840 -0.015 0.000 0.804 20 L CB -0.126 41.921 42.059 -0.020 0.000 1.181 20 L HN 0.402 nan 8.230 nan 0.000 0.469 21 I N -0.163 120.421 120.570 0.023 0.000 2.270 21 I HA -0.025 4.144 4.170 -0.001 0.000 0.239 21 I C 0.520 176.661 176.117 0.040 0.000 1.080 21 I CA 0.776 62.100 61.300 0.039 0.000 1.383 21 I CB 0.038 38.069 38.000 0.051 0.000 1.097 21 I HN 0.510 nan 8.210 nan 0.000 0.420 22 R N 0.619 121.144 120.500 0.043 0.000 2.670 22 R HA 0.421 4.761 4.340 -0.001 0.000 0.289 22 R C -2.512 173.814 176.300 0.043 0.000 0.965 22 R CA -1.921 54.206 56.100 0.044 0.000 0.899 22 R CB 0.640 30.975 30.300 0.057 0.000 1.173 22 R HN -0.128 nan 8.270 nan 0.000 0.456 23 P HA -0.087 nan 4.420 nan 0.000 0.264 23 P C -0.982 176.342 177.300 0.039 0.000 1.183 23 P CA 0.309 63.427 63.100 0.030 0.000 0.763 23 P CB 0.359 32.066 31.700 0.011 0.000 0.807 24 H N 1.506 120.501 119.070 -0.125 0.000 2.597 24 H HA 0.514 5.069 4.556 -0.001 0.000 0.303 24 H C 0.421 175.517 175.328 -0.387 0.000 1.057 24 H CA -0.207 55.676 56.048 -0.274 0.000 1.261 24 H CB 0.306 29.882 29.762 -0.310 0.000 1.397 24 H HN 0.439 nan 8.280 nan 0.000 0.461 25 G N 4.788 113.257 108.800 -0.552 0.000 2.320 25 G HA2 0.376 4.336 3.960 -0.001 0.000 0.300 25 G HA3 0.376 4.336 3.960 -0.001 0.000 0.300 25 G C -0.787 173.752 174.900 -0.601 0.000 1.126 25 G CA -0.285 44.550 45.100 -0.442 0.000 0.896 25 G HN 0.389 nan 8.290 nan 0.000 0.436 26 F N 1.317 121.115 119.950 -0.254 0.000 2.456 26 F HA 0.546 5.074 4.527 0.001 0.000 0.364 26 F C 1.805 177.443 175.800 -0.269 0.000 1.092 26 F CA -0.114 57.724 58.000 -0.270 0.000 1.125 26 F CB 0.942 39.663 39.000 -0.464 0.000 1.543 26 F HN 0.464 nan 8.300 nan 0.000 0.504 27 A N -0.497 122.311 122.820 -0.020 0.000 1.968 27 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 27 A C 1.476 178.993 177.584 -0.112 0.000 1.169 27 A CA 2.082 54.084 52.037 -0.059 0.000 0.638 27 A CB -1.137 17.860 19.000 -0.005 0.000 0.812 27 A HN 0.754 nan 8.150 nan 0.000 0.446 28 T N -4.412 109.990 114.554 -0.253 0.000 3.192 28 T HA 0.357 4.706 4.350 -0.001 0.000 0.295 28 T C 0.186 174.715 174.700 -0.284 0.000 0.947 28 T CA 0.689 62.657 62.100 -0.221 0.000 0.916 28 T CB -0.319 68.452 68.868 -0.162 0.000 1.169 28 T HN 0.692 nan 8.240 nan 0.000 0.540 29 T N -1.125 113.218 114.554 -0.352 0.000 2.821 29 T HA 0.650 4.999 4.350 -0.001 0.000 0.306 29 T C -1.300 173.356 174.700 -0.073 0.000 1.313 29 T CA -0.632 61.313 62.100 -0.258 0.000 1.012 29 T CB 1.888 70.478 68.868 -0.464 0.000 1.298 29 T HN -0.006 nan 8.240 nan 0.000 0.502 30 T N 1.656 116.206 114.554 -0.006 0.000 2.848 30 T HA 0.662 5.012 4.350 -0.001 0.000 0.285 30 T C -0.568 174.192 174.700 0.100 0.000 0.995 30 T CA -0.669 61.448 62.100 0.029 0.000 0.970 30 T CB 1.630 70.489 68.868 -0.015 0.000 0.976 30 T HN 0.686 nan 8.240 nan 0.000 0.441 31 S N 1.550 117.339 115.700 0.148 0.000 2.462 31 S HA 0.435 4.904 4.470 -0.001 0.000 0.294 31 S C 1.343 175.993 174.600 0.083 0.000 1.144 31 S CA -0.754 57.544 58.200 0.163 0.000 1.088 31 S CB 1.238 64.612 63.200 0.290 0.000 1.009 31 S HN 0.913 nan 8.310 nan 0.000 0.484 32 T N -0.880 113.707 114.554 0.056 0.000 2.990 32 T HA 0.271 4.621 4.350 -0.001 0.000 0.250 32 T C 0.205 174.911 174.700 0.009 0.000 1.041 32 T CA -0.178 61.944 62.100 0.035 0.000 1.010 32 T CB -0.165 68.728 68.868 0.042 0.000 1.003 32 T HN 0.778 nan 8.240 nan 0.000 0.499 33 E N 0.053 120.234 120.200 -0.031 0.000 2.416 33 E HA 0.523 4.872 4.350 -0.001 0.000 0.280 33 E C -1.749 174.698 176.600 -0.255 0.000 1.055 33 E CA -1.197 55.143 56.400 -0.100 0.000 0.825 33 E CB 1.032 30.694 29.700 -0.063 0.000 1.312 33 E HN 0.005 nan 8.360 nan 0.000 0.452 34 Q N 1.159 120.802 119.800 -0.261 0.000 2.312 34 Q HA 0.309 4.649 4.340 -0.001 0.000 0.263 34 Q C -1.510 174.287 176.000 -0.339 0.000 0.995 34 Q CA -0.534 55.080 55.803 -0.315 0.000 0.853 34 Q CB 1.115 29.772 28.738 -0.135 0.000 1.300 34 Q HN 0.546 nan 8.270 nan 0.000 0.448 35 H N 4.409 123.474 119.070 -0.008 0.000 2.467 35 H HA 0.500 5.056 4.556 -0.000 0.000 0.326 35 H C -0.439 174.866 175.328 -0.038 0.000 1.094 35 H CA -0.339 55.694 56.048 -0.025 0.000 1.253 35 H CB 0.656 30.409 29.762 -0.014 0.000 1.439 35 H HN 0.579 nan 8.280 nan 0.000 0.479 36 I N 3.464 124.072 120.570 0.063 0.000 2.533 36 I HA 0.075 4.244 4.170 -0.001 0.000 0.290 36 I C -0.647 175.487 176.117 0.027 0.000 1.056 36 I CA -0.959 60.359 61.300 0.029 0.000 1.057 36 I CB 2.727 40.741 38.000 0.025 0.000 1.240 36 I HN 0.195 nan 8.210 nan 0.000 0.423 37 L N 7.061 128.308 121.223 0.039 0.000 2.259 37 L HA 0.426 4.765 4.340 -0.001 0.000 0.288 37 L C -0.860 176.055 176.870 0.074 0.000 1.051 37 L CA -0.302 54.566 54.840 0.047 0.000 0.824 37 L CB 0.946 43.032 42.059 0.047 0.000 1.206 37 L HN 0.487 nan 8.230 nan 0.000 0.429 38 L N 6.664 127.936 121.223 0.081 0.000 2.283 38 L HA 0.451 4.791 4.340 -0.001 0.000 0.287 38 L C -0.652 176.321 176.870 0.172 0.000 1.073 38 L CA 0.192 55.120 54.840 0.147 0.000 0.822 38 L CB 0.948 43.087 42.059 0.132 0.000 1.186 38 L HN 0.407 nan 8.230 nan 0.000 0.436 39 V N 4.031 124.048 119.914 0.172 0.000 2.532 39 V HA 0.710 4.829 4.120 -0.001 0.000 0.295 39 V C -0.008 176.144 176.094 0.098 0.000 1.041 39 V CA -0.405 61.969 62.300 0.123 0.000 0.926 39 V CB 1.724 33.596 31.823 0.082 0.000 0.992 39 V HN 0.897 nan 8.190 nan 0.000 0.457 40 S N 2.800 118.490 115.700 -0.017 0.000 2.538 40 S HA 0.751 5.220 4.470 -0.001 0.000 0.288 40 S C -1.077 173.291 174.600 -0.388 0.000 1.108 40 S CA -0.768 57.220 58.200 -0.353 0.000 0.971 40 S CB 1.797 64.697 63.200 -0.501 0.000 1.041 40 S HN 0.368 nan 8.310 nan 0.000 0.483 41 V N 4.444 124.076 119.914 -0.470 0.000 2.328 41 V HA 0.353 4.473 4.120 -0.001 0.000 0.278 41 V C -0.434 175.423 176.094 -0.396 0.000 1.021 41 V CA -0.528 61.592 62.300 -0.299 0.000 0.838 41 V CB 0.445 32.172 31.823 -0.161 0.000 0.999 41 V HN 0.900 nan 8.190 nan 0.000 0.447 42 H N 5.971 124.984 119.070 -0.094 0.000 2.652 42 H HA 0.433 4.988 4.556 -0.001 0.000 0.298 42 H C -0.383 174.916 175.328 -0.049 0.000 1.076 42 H CA -0.266 55.741 56.048 -0.069 0.000 1.360 42 H CB 1.309 31.043 29.762 -0.046 0.000 1.421 42 H HN 0.431 nan 8.280 nan 0.000 0.464 43 L N 2.125 123.368 121.223 0.033 0.000 2.343 43 L HA 0.074 4.413 4.340 -0.001 0.000 0.275 43 L C 1.817 178.704 176.870 0.029 0.000 1.056 43 L CA -0.522 54.327 54.840 0.015 0.000 0.804 43 L CB 1.385 43.443 42.059 -0.002 0.000 1.203 43 L HN 0.554 nan 8.230 nan 0.000 0.440 44 E N 2.519 122.727 120.200 0.014 0.000 2.208 44 E HA -0.284 4.065 4.350 -0.001 0.000 0.202 44 E C 1.324 177.935 176.600 0.019 0.000 1.014 44 E CA 2.269 58.677 56.400 0.013 0.000 0.819 44 E CB -0.147 29.554 29.700 0.002 0.000 0.735 44 E HN 0.747 nan 8.360 nan 0.000 0.469 45 N N -1.686 117.027 118.700 0.021 0.000 2.449 45 N HA 0.016 4.755 4.740 -0.001 0.000 0.191 45 N C 1.157 176.687 175.510 0.033 0.000 1.161 45 N CA 0.476 53.541 53.050 0.026 0.000 0.863 45 N CB 0.243 38.747 38.487 0.030 0.000 0.980 45 N HN 0.249 nan 8.380 nan 0.000 0.458 46 G N 0.123 108.946 108.800 0.039 0.000 2.179 46 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 46 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 46 G C -0.027 174.906 174.900 0.055 0.000 0.977 46 G CA 0.248 45.379 45.100 0.051 0.000 0.641 46 G HN 0.365 nan 8.290 nan 0.000 0.533 47 V N 1.431 121.369 119.914 0.039 0.000 2.732 47 V HA 0.675 4.794 4.120 -0.001 0.000 0.297 47 V C 0.469 176.548 176.094 -0.025 0.000 1.060 47 V CA -0.470 61.845 62.300 0.025 0.000 1.038 47 V CB 1.162 33.004 31.823 0.030 0.000 1.003 47 V HN 0.278 nan 8.190 nan 0.000 0.481 48 I N 5.655 126.184 120.570 -0.068 0.000 2.465 48 I HA 0.556 4.725 4.170 -0.001 0.000 0.291 48 I C 0.486 176.383 176.117 -0.367 0.000 1.014 48 I CA -0.493 60.633 61.300 -0.291 0.000 1.093 48 I CB 1.852 39.666 38.000 -0.309 0.000 1.267 48 I HN 0.716 nan 8.210 nan 0.000 0.431 49 G N 4.961 113.477 108.800 -0.473 0.000 2.388 49 G HA2 0.647 4.606 3.960 -0.001 0.000 0.330 49 G HA3 0.647 4.606 3.960 -0.001 0.000 0.330 49 G C -1.658 172.922 174.900 -0.533 0.000 1.142 49 G CA -0.234 44.675 45.100 -0.319 0.000 0.908 49 G HN 0.390 nan 8.290 nan 0.000 0.473 50 Y N -0.053 120.256 120.300 0.016 0.000 2.409 50 Y HA 0.675 5.225 4.550 -0.001 0.000 0.343 50 Y C 0.707 176.641 175.900 0.056 0.000 0.973 50 Y CA -0.474 57.648 58.100 0.036 0.000 1.064 50 Y CB 2.827 41.325 38.460 0.062 0.000 1.207 50 Y HN 0.793 nan 8.280 nan 0.000 0.452 51 G N 1.410 110.337 108.800 0.211 0.000 2.619 51 G HA2 0.635 4.595 3.960 -0.001 0.000 0.296 51 G HA3 0.635 4.595 3.960 -0.001 0.000 0.296 51 G C -1.646 173.340 174.900 0.143 0.000 1.334 51 G CA -0.905 44.282 45.100 0.145 0.000 0.934 51 G HN 0.514 nan 8.290 nan 0.000 0.476 52 E N -0.392 119.868 120.200 0.101 0.000 2.187 52 E HA 0.514 4.863 4.350 -0.001 0.000 0.268 52 E C -0.317 176.315 176.600 0.053 0.000 0.896 52 E CA -0.805 55.648 56.400 0.087 0.000 0.766 52 E CB 2.147 31.894 29.700 0.079 0.000 1.142 52 E HN 0.537 nan 8.360 nan 0.000 0.408 53 G N 2.007 110.840 108.800 0.055 0.000 2.547 53 G HA2 0.462 4.421 3.960 -0.001 0.000 0.327 53 G HA3 0.462 4.421 3.960 -0.001 0.000 0.327 53 G C -1.035 173.875 174.900 0.016 0.000 1.118 53 G CA -0.273 44.856 45.100 0.049 0.000 1.022 53 G HN 0.295 nan 8.290 nan 0.000 0.464 54 V N 3.288 123.196 119.914 -0.011 0.000 3.087 54 V HA 0.820 4.940 4.120 -0.001 0.000 0.306 54 V C -0.773 175.154 176.094 -0.278 0.000 1.187 54 V CA -0.523 61.717 62.300 -0.101 0.000 0.999 54 V CB 2.338 34.117 31.823 -0.074 0.000 1.049 54 V HN 1.049 nan 8.190 nan 0.000 0.431 55 V N 2.302 121.971 119.914 -0.408 0.000 3.102 55 V HA 0.788 4.908 4.120 -0.001 0.000 0.312 55 V C -2.876 172.917 176.094 -0.501 0.000 1.135 55 V CA -2.737 59.126 62.300 -0.728 0.000 1.022 55 V CB 1.853 33.167 31.823 -0.849 0.000 1.056 55 V HN 0.739 nan 8.190 nan 0.000 0.436 56 P HA 0.331 nan 4.420 nan 0.000 0.263 56 P C 0.965 178.169 177.300 -0.160 0.000 1.601 56 P CA 1.527 64.425 63.100 -0.337 0.000 1.161 56 P CB 0.333 31.773 31.700 -0.434 0.000 1.730 57 G N 2.451 111.286 108.800 0.058 0.000 2.990 57 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.225 57 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.225 57 G C 0.438 175.509 174.900 0.285 0.000 1.304 57 G CA -0.079 45.176 45.100 0.258 0.000 0.816 57 G HN 0.874 nan 8.290 nan 0.000 0.528 58 G N -1.356 107.546 108.800 0.171 0.000 2.489 58 G HA2 0.688 4.648 3.960 -0.001 0.000 0.305 58 G HA3 0.688 4.648 3.960 -0.001 0.000 0.305 58 G C -2.291 172.535 174.900 -0.123 0.000 1.311 58 G CA 0.550 45.736 45.100 0.143 0.000 0.813 58 G HN 0.400 nan 8.290 nan 0.000 0.480 59 P HA -0.016 nan 4.420 nan 0.000 0.234 59 P C 1.568 178.854 177.300 -0.022 0.000 1.167 59 P CA 0.872 63.948 63.100 -0.040 0.000 0.763 59 P CB -0.074 31.643 31.700 0.028 0.000 0.835 60 W N -1.391 119.923 121.300 0.022 0.000 2.374 60 W HA -0.117 4.542 4.660 -0.002 0.000 0.288 60 W C 1.783 178.315 176.519 0.022 0.000 1.218 60 W CA -0.032 57.318 57.345 0.008 0.000 1.245 60 W CB -1.930 27.516 29.460 -0.024 0.000 1.126 60 W HN -0.031 nan 8.180 nan 0.000 0.545 61 W N 2.004 122.532 121.300 -1.286 0.000 2.354 61 W HA 0.022 4.681 4.660 -0.001 0.000 0.315 61 W C 2.219 178.506 176.519 -0.386 0.000 1.206 61 W CA 3.555 60.191 57.345 -1.182 0.000 1.290 61 W CB -0.427 28.179 29.460 -1.422 0.000 1.152 61 W HN -0.037 nan 8.180 nan 0.000 0.489 62 G N -2.708 106.192 108.800 0.167 0.000 4.517 62 G HA2 0.364 4.323 3.960 -0.001 0.000 0.258 62 G HA3 0.364 4.323 3.960 -0.001 0.000 0.258 62 G C 0.646 175.738 174.900 0.320 0.000 1.038 62 G CA -0.129 45.238 45.100 0.444 0.000 0.810 62 G HN 0.798 nan 8.290 nan 0.000 0.383 63 G N -0.104 108.773 108.800 0.129 0.000 2.213 63 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.236 63 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.236 63 G C 0.016 174.962 174.900 0.077 0.000 0.991 63 G CA 0.286 45.442 45.100 0.093 0.000 0.629 63 G HN 0.535 nan 8.290 nan 0.000 0.517 64 E N 0.526 120.763 120.200 0.062 0.000 2.207 64 E HA 0.643 4.992 4.350 -0.001 0.000 0.270 64 E C -0.008 176.542 176.600 -0.084 0.000 0.927 64 E CA 0.024 56.432 56.400 0.013 0.000 0.799 64 E CB 1.843 31.581 29.700 0.063 0.000 1.172 64 E HN 0.508 nan 8.360 nan 0.000 0.404 65 S N 0.318 115.990 115.700 -0.047 0.000 2.627 65 S HA 0.199 4.669 4.470 -0.001 0.000 0.283 65 S C 0.598 175.178 174.600 -0.032 0.000 1.127 65 S CA -0.772 57.397 58.200 -0.053 0.000 0.863 65 S CB 1.423 64.609 63.200 -0.023 0.000 1.121 65 S HN 0.327 nan 8.310 nan 0.000 0.479 66 V N 1.357 121.255 119.914 -0.027 0.000 2.380 66 V HA -0.201 3.918 4.120 -0.001 0.000 0.251 66 V C 2.134 178.225 176.094 -0.005 0.000 1.063 66 V CA 2.907 65.201 62.300 -0.009 0.000 1.055 66 V CB -1.156 30.668 31.823 0.002 0.000 0.657 66 V HN 0.950 nan 8.190 nan 0.000 0.455 67 E N 0.149 120.338 120.200 -0.018 0.000 2.051 67 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 67 E C 1.517 178.126 176.600 0.015 0.000 0.991 67 E CA 1.190 57.586 56.400 -0.006 0.000 0.799 67 E CB -0.684 29.006 29.700 -0.017 0.000 0.748 67 E HN 0.621 nan 8.360 nan 0.000 0.449 71 A N 1.980 124.846 122.820 0.076 0.000 1.908 71 A HA -0.055 4.264 4.320 -0.001 0.000 0.218 71 A C 1.942 179.638 177.584 0.187 0.000 1.181 71 A CA 1.506 53.609 52.037 0.110 0.000 0.627 71 A CB -0.609 18.453 19.000 0.104 0.000 0.818 71 A HN 0.292 nan 8.150 nan 0.000 0.445 72 L N -0.746 120.576 121.223 0.164 0.000 2.056 72 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 72 L C 2.576 179.574 176.870 0.212 0.000 1.078 72 L CA 0.999 55.964 54.840 0.209 0.000 0.749 72 L CB -0.597 41.514 42.059 0.087 0.000 0.901 72 L HN 0.254 nan 8.230 nan 0.000 0.433 73 V N 0.015 120.007 119.914 0.131 0.000 2.233 73 V HA -0.314 3.806 4.120 -0.001 0.000 0.247 73 V C 2.177 178.324 176.094 0.089 0.000 1.050 73 V CA 2.079 64.440 62.300 0.102 0.000 1.010 73 V CB -0.506 31.364 31.823 0.078 0.000 0.637 73 V HN 0.444 nan 8.190 nan 0.000 0.444 74 D N 0.543 120.987 120.400 0.073 0.000 2.084 74 D HA -0.104 4.536 4.640 -0.001 0.000 0.196 74 D C 2.170 178.464 176.300 -0.011 0.000 0.985 74 D CA 1.791 55.811 54.000 0.034 0.000 0.826 74 D CB -0.669 40.146 40.800 0.026 0.000 0.978 74 D HN 0.483 nan 8.370 nan 0.000 0.456 75 G N -1.250 107.540 108.800 -0.017 0.000 2.448 75 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 75 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 75 G C 0.842 175.426 174.900 -0.527 0.000 1.135 75 G CA 0.666 45.595 45.100 -0.285 0.000 0.784 75 G HN 0.296 nan 8.290 nan 0.000 0.543 76 Y N -1.463 118.845 120.300 0.014 0.000 2.550 76 Y HA 0.385 4.935 4.550 -0.001 0.000 0.275 76 Y C 2.299 178.206 175.900 0.012 0.000 1.148 76 Y CA -0.526 57.581 58.100 0.012 0.000 1.200 76 Y CB 0.081 38.550 38.460 0.014 0.000 1.299 76 Y HN -0.027 nan 8.280 nan 0.000 0.509 77 L N -0.316 121.015 121.223 0.180 0.000 2.102 77 L HA 0.024 4.364 4.340 -0.001 0.000 0.202 77 L C 2.631 179.536 176.870 0.059 0.000 1.076 77 L CA 1.120 56.022 54.840 0.103 0.000 0.761 77 L CB -0.775 41.339 42.059 0.090 0.000 0.921 77 L HN 0.226 nan 8.230 nan 0.000 0.444 78 A N 1.300 124.150 122.820 0.050 0.000 1.873 78 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 78 A C 0.132 177.723 177.584 0.012 0.000 1.193 78 A CA 2.196 54.250 52.037 0.027 0.000 0.629 78 A CB -2.073 16.942 19.000 0.025 0.000 0.826 78 A HN 0.313 nan 8.150 nan 0.000 0.447 79 P HA -0.140 nan 4.420 nan 0.000 0.216 79 P C 1.526 178.824 177.300 -0.003 0.000 1.150 79 P CA 1.754 64.849 63.100 -0.008 0.000 0.843 79 P CB -0.348 31.338 31.700 -0.024 0.000 0.787 80 V N -0.767 119.152 119.914 0.009 0.000 2.594 80 V HA -0.208 3.911 4.120 -0.001 0.000 0.253 80 V C 2.614 178.701 176.094 -0.012 0.000 1.069 80 V CA 1.507 63.810 62.300 0.004 0.000 1.082 80 V CB -1.136 30.696 31.823 0.015 0.000 0.680 80 V HN -0.003 nan 8.190 nan 0.000 0.469 81 L N -0.940 120.275 121.223 -0.013 0.000 2.102 81 L HA 0.151 4.490 4.340 -0.001 0.000 0.202 81 L C 1.113 177.964 176.870 -0.032 0.000 1.076 81 L CA 0.940 55.762 54.840 -0.030 0.000 0.761 81 L CB -0.475 41.567 42.059 -0.028 0.000 0.921 81 L HN 0.137 nan 8.230 nan 0.000 0.444 82 I N 0.991 121.549 120.570 -0.020 0.000 2.978 82 I HA -0.001 4.168 4.170 -0.001 0.000 0.293 82 I C 1.356 177.458 176.117 -0.025 0.000 1.218 82 I CA 1.156 62.444 61.300 -0.019 0.000 1.393 82 I CB -0.672 37.321 38.000 -0.013 0.000 1.394 82 I HN 0.522 nan 8.210 nan 0.000 0.541 83 G N 5.058 113.840 108.800 -0.030 0.000 2.201 83 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.212 83 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.212 83 G C 0.239 175.113 174.900 -0.043 0.000 0.994 83 G CA -0.594 44.487 45.100 -0.032 0.000 0.644 83 G HN 0.562 nan 8.290 nan 0.000 0.508 84 R N 0.412 120.878 120.500 -0.057 0.000 2.732 84 R HA 0.746 5.086 4.340 -0.001 0.000 0.278 84 R C 0.426 176.661 176.300 -0.109 0.000 0.976 84 R CA -0.144 55.909 56.100 -0.078 0.000 0.963 84 R CB 1.580 31.831 30.300 -0.083 0.000 1.150 84 R HN 0.478 nan 8.270 nan 0.000 0.478 85 A N 1.566 124.307 122.820 -0.131 0.000 2.477 85 A HA 0.049 4.369 4.320 -0.001 0.000 0.246 85 A C 1.230 178.642 177.584 -0.287 0.000 1.078 85 A CA -0.370 51.560 52.037 -0.179 0.000 0.770 85 A CB 0.727 19.627 19.000 -0.167 0.000 1.011 85 A HN 0.688 nan 8.150 nan 0.000 0.494 86 V N 3.022 122.729 119.914 -0.345 0.000 2.568 86 V HA -0.178 3.941 4.120 -0.001 0.000 0.253 86 V C 2.222 177.742 176.094 -0.957 0.000 1.072 86 V CA 2.786 64.793 62.300 -0.488 0.000 1.084 86 V CB -0.603 30.989 31.823 -0.384 0.000 0.676 86 V HN 1.158 nan 8.190 nan 0.000 0.469 87 S N -0.970 114.074 115.700 -1.094 0.000 2.727 87 S HA 0.016 4.485 4.470 -0.001 0.000 0.226 87 S C 1.092 175.234 174.600 -0.764 0.000 0.963 87 S CA 0.829 58.156 58.200 -1.455 0.000 0.950 87 S CB -0.403 62.436 63.200 -0.603 0.000 0.779 87 S HN 0.827 nan 8.310 nan 0.000 0.532 88 E N 0.210 120.086 120.200 -0.540 0.000 2.499 88 E HA 0.221 4.571 4.350 -0.001 0.000 0.199 88 E C 1.069 177.513 176.600 -0.259 0.000 1.016 88 E CA -0.352 55.874 56.400 -0.290 0.000 0.933 88 E CB 0.119 29.702 29.700 -0.196 0.000 1.050 88 E HN 0.262 nan 8.360 nan 0.000 0.462 89 L N 1.873 122.865 121.223 -0.386 0.000 1.997 89 L HA -0.344 3.995 4.340 -0.001 0.000 0.227 89 L C 2.239 179.049 176.870 -0.100 0.000 1.087 89 L CA 2.670 57.362 54.840 -0.248 0.000 0.797 89 L CB -0.988 40.919 42.059 -0.253 0.000 0.902 89 L HN 0.203 nan 8.230 nan 0.000 0.441 90 A N -1.060 121.739 122.820 -0.035 0.000 1.908 90 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 90 A C 2.340 179.921 177.584 -0.006 0.000 1.181 90 A CA 1.951 53.997 52.037 0.016 0.000 0.627 90 A CB -1.574 17.458 19.000 0.053 0.000 0.818 90 A HN 0.628 nan 8.150 nan 0.000 0.445 91 G N -0.202 108.579 108.800 -0.031 0.000 2.418 91 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.217 91 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.217 91 G C 0.948 175.829 174.900 -0.032 0.000 1.158 91 G CA 0.794 45.876 45.100 -0.030 0.000 0.771 91 G HN 0.495 nan 8.290 nan 0.000 0.545 95 D N 0.960 121.363 120.400 0.004 0.000 2.269 95 D HA 0.002 4.641 4.640 -0.001 0.000 0.208 95 D C 1.854 178.163 176.300 0.015 0.000 0.963 95 D CA 0.870 54.873 54.000 0.006 0.000 0.864 95 D CB -0.034 40.766 40.800 -0.001 0.000 0.936 95 D HN 0.526 nan 8.370 nan 0.000 0.505 96 L N 1.044 122.277 121.223 0.018 0.000 2.131 96 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 96 L C 2.227 179.112 176.870 0.026 0.000 1.092 96 L CA 0.894 55.751 54.840 0.028 0.000 0.759 96 L CB -0.376 41.701 42.059 0.031 0.000 0.903 96 L HN -0.073 nan 8.230 nan 0.000 0.435 97 E N 0.574 120.785 120.200 0.020 0.000 2.209 97 E HA -0.198 4.151 4.350 -0.001 0.000 0.196 97 E C 2.214 178.820 176.600 0.011 0.000 0.993 97 E CA 1.001 57.410 56.400 0.014 0.000 0.819 97 E CB -0.188 29.520 29.700 0.013 0.000 0.745 97 E HN 0.513 nan 8.360 nan 0.000 0.477 98 R N 0.319 120.828 120.500 0.015 0.000 2.148 98 R HA -0.069 4.270 4.340 -0.001 0.000 0.227 98 R C 2.355 178.668 176.300 0.022 0.000 1.103 98 R CA 1.373 57.482 56.100 0.016 0.000 0.983 98 R CB -0.029 30.281 30.300 0.017 0.000 0.874 98 R HN 0.187 nan 8.270 nan 0.000 0.451 99 V N -3.867 116.066 119.914 0.032 0.000 3.523 99 V HA 0.251 4.371 4.120 -0.001 0.000 0.255 99 V C 0.483 176.581 176.094 0.005 0.000 1.226 99 V CA -0.119 62.212 62.300 0.052 0.000 1.092 99 V CB 0.990 32.879 31.823 0.111 0.000 0.817 99 V HN -0.156 nan 8.190 nan 0.000 0.458 100 V N 1.626 121.535 119.914 -0.009 0.000 2.532 100 V HA 0.844 4.964 4.120 -0.001 0.000 0.294 100 V C 0.149 176.227 176.094 -0.028 0.000 1.036 100 V CA -0.260 62.008 62.300 -0.052 0.000 0.876 100 V CB 1.121 32.920 31.823 -0.040 0.000 1.012 100 V HN 0.534 nan 8.190 nan 0.000 0.432 101 A N 5.175 127.970 122.820 -0.040 0.000 2.316 101 A HA 0.875 5.195 4.320 -0.001 0.000 0.284 101 A C 0.802 178.377 177.584 -0.014 0.000 1.115 101 A CA -0.052 51.971 52.037 -0.023 0.000 0.812 101 A CB 0.427 19.409 19.000 -0.030 0.000 1.064 101 A HN 0.983 nan 8.150 nan 0.000 0.489 102 R N 0.561 121.063 120.500 0.003 0.000 3.923 102 R HA -0.263 4.076 4.340 -0.001 0.000 0.400 102 R C 0.939 177.279 176.300 0.067 0.000 0.241 102 R CA 1.116 57.230 56.100 0.024 0.000 1.284 102 R CB -1.858 28.435 30.300 -0.012 0.000 1.006 102 R HN 2.511 nan 8.270 nan 0.000 0.559 103 A N 1.332 124.212 122.820 0.100 0.000 2.511 103 A HA -0.280 4.040 4.320 -0.001 0.000 0.297 103 A C 1.310 178.998 177.584 0.174 0.000 1.476 103 A CA 1.706 53.835 52.037 0.154 0.000 0.757 103 A CB -0.737 18.311 19.000 0.081 0.000 1.072 103 A HN 0.455 nan 8.150 nan 0.000 0.413 104 R N -0.975 119.662 120.500 0.228 0.000 2.091 104 R HA -0.205 4.135 4.340 -0.001 0.000 0.238 104 R C 1.514 177.809 176.300 -0.008 0.000 1.136 104 R CA 2.334 58.497 56.100 0.106 0.000 0.959 104 R CB -0.716 29.658 30.300 0.122 0.000 0.856 104 R HN 0.808 nan 8.270 nan 0.000 0.437 105 Y N 0.765 121.074 120.300 0.015 0.000 2.207 105 Y HA -0.224 4.325 4.550 -0.002 0.000 0.287 105 Y C 2.526 178.401 175.900 -0.043 0.000 1.156 105 Y CA 1.549 59.593 58.100 -0.095 0.000 1.182 105 Y CB -0.471 37.897 38.460 -0.153 0.000 0.979 105 Y HN 0.149 nan 8.280 nan 0.000 0.521 106 A N -0.007 122.903 122.820 0.151 0.000 1.897 106 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 106 A C 2.114 179.740 177.584 0.070 0.000 1.181 106 A CA 1.485 53.581 52.037 0.099 0.000 0.620 106 A CB -0.409 18.648 19.000 0.095 0.000 0.821 106 A HN 0.386 nan 8.150 nan 0.000 0.443 107 K N 0.020 120.456 120.400 0.061 0.000 2.211 107 K HA 0.011 4.330 4.320 -0.001 0.000 0.203 107 K C 2.170 178.790 176.600 0.035 0.000 1.050 107 K CA 0.893 57.209 56.287 0.047 0.000 0.945 107 K CB -0.280 32.246 32.500 0.044 0.000 0.732 107 K HN 0.433 nan 8.250 nan 0.000 0.451 108 A N 1.746 124.571 122.820 0.009 0.000 1.902 108 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 108 A C 2.412 180.008 177.584 0.021 0.000 1.181 108 A CA 1.811 53.840 52.037 -0.013 0.000 0.623 108 A CB -0.694 18.249 19.000 -0.094 0.000 0.818 108 A HN 0.320 nan 8.150 nan 0.000 0.443 109 A N -0.461 122.380 122.820 0.035 0.000 1.908 109 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 109 A C 2.213 179.834 177.584 0.061 0.000 1.181 109 A CA 2.004 54.074 52.037 0.054 0.000 0.627 109 A CB -0.939 18.099 19.000 0.062 0.000 0.818 109 A HN 0.471 nan 8.150 nan 0.000 0.445 110 V N 0.691 120.637 119.914 0.054 0.000 2.453 110 V HA -0.214 3.905 4.120 -0.001 0.000 0.247 110 V C 2.409 178.539 176.094 0.059 0.000 1.048 110 V CA 2.042 64.369 62.300 0.046 0.000 1.049 110 V CB -0.759 31.087 31.823 0.038 0.000 0.672 110 V HN 0.725 nan 8.190 nan 0.000 0.457 111 D N 0.738 121.188 120.400 0.083 0.000 2.092 111 D HA -0.162 4.478 4.640 -0.001 0.000 0.193 111 D C 2.112 178.571 176.300 0.264 0.000 0.994 111 D CA 1.830 55.921 54.000 0.153 0.000 0.828 111 D CB 0.065 40.957 40.800 0.154 0.000 0.963 111 D HN 0.288 nan 8.370 nan 0.000 0.450 112 V N 1.894 121.917 119.914 0.182 0.000 2.295 112 V HA -0.120 4.000 4.120 -0.001 0.000 0.246 112 V C 1.883 178.079 176.094 0.170 0.000 1.049 112 V CA 1.210 63.617 62.300 0.179 0.000 1.024 112 V CB -1.048 30.830 31.823 0.093 0.000 0.648 112 V HN 0.393 nan 8.190 nan 0.000 0.447 116 D N 1.623 122.156 120.400 0.221 0.000 2.117 116 D HA 0.019 4.658 4.640 -0.001 0.000 0.198 116 D C 2.119 178.486 176.300 0.112 0.000 0.982 116 D CA 1.532 55.618 54.000 0.143 0.000 0.828 116 D CB 0.097 40.971 40.800 0.124 0.000 0.967 116 D HN 0.355 nan 8.370 nan 0.000 0.464 117 A N -0.382 122.489 122.820 0.085 0.000 1.930 117 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 117 A C 2.119 179.802 177.584 0.165 0.000 1.175 117 A CA 1.287 53.359 52.037 0.060 0.000 0.627 117 A CB -1.236 17.756 19.000 -0.014 0.000 0.815 117 A HN 0.507 nan 8.150 nan 0.000 0.443 118 W N 0.628 121.913 121.300 -0.025 0.000 2.418 118 W HA 0.068 4.728 4.660 -0.001 0.000 0.292 118 W C 2.450 178.971 176.519 0.004 0.000 1.213 118 W CA 1.019 58.351 57.345 -0.022 0.000 1.283 118 W CB -0.564 28.867 29.460 -0.049 0.000 1.119 118 W HN 0.360 nan 8.180 nan 0.000 0.542 119 A N 0.669 123.553 122.820 0.106 0.000 1.873 119 A HA -0.167 4.152 4.320 -0.001 0.000 0.215 119 A C 2.110 179.696 177.584 0.003 0.000 1.186 119 A CA 1.809 53.825 52.037 -0.034 0.000 0.616 119 A CB -0.784 18.218 19.000 0.004 0.000 0.823 119 A HN 0.303 nan 8.150 nan 0.000 0.442 120 R N -0.147 120.383 120.500 0.050 0.000 2.091 120 R HA -0.105 4.234 4.340 -0.001 0.000 0.238 120 R C 2.471 178.799 176.300 0.047 0.000 1.136 120 R CA 1.632 57.758 56.100 0.044 0.000 0.959 120 R CB -0.431 29.902 30.300 0.056 0.000 0.856 120 R HN 0.500 nan 8.270 nan 0.000 0.437 121 S N 0.883 116.631 115.700 0.080 0.000 2.419 121 S HA -0.057 4.413 4.470 -0.001 0.000 0.235 121 S C 1.670 176.310 174.600 0.066 0.000 1.019 121 S CA 0.959 59.214 58.200 0.092 0.000 0.982 121 S CB -0.018 63.277 63.200 0.159 0.000 0.789 121 S HN 0.259 nan 8.310 nan 0.000 0.490 122 L N 0.905 122.144 121.223 0.027 0.000 2.607 122 L HA 0.266 4.605 4.340 -0.001 0.000 0.228 122 L C 0.466 177.320 176.870 -0.027 0.000 1.123 122 L CA -0.131 54.698 54.840 -0.019 0.000 0.890 122 L CB -0.553 41.438 42.059 -0.113 0.000 1.103 122 L HN 0.233 nan 8.230 nan 0.000 0.468 123 N N 0.808 119.501 118.700 -0.013 0.000 2.727 123 N HA -0.163 4.576 4.740 -0.001 0.000 0.251 123 N C -0.781 174.712 175.510 -0.029 0.000 1.040 123 N CA 0.852 53.894 53.050 -0.012 0.000 0.712 123 N CB -0.838 37.645 38.487 -0.006 0.000 0.912 123 N HN 0.277 nan 8.380 nan 0.000 0.545 124 V N -3.479 116.409 119.914 -0.042 0.000 3.114 124 V HA 0.892 5.011 4.120 -0.001 0.000 0.308 124 V C -2.582 173.485 176.094 -0.045 0.000 1.168 124 V CA -2.107 60.160 62.300 -0.054 0.000 1.015 124 V CB 2.336 34.107 31.823 -0.087 0.000 1.050 124 V HN -0.061 nan 8.190 nan 0.000 0.433 125 P HA 0.284 nan 4.420 nan 0.000 0.272 125 P C 1.000 178.281 177.300 -0.031 0.000 1.230 125 P CA -0.058 63.025 63.100 -0.028 0.000 0.788 125 P CB 0.957 32.638 31.700 -0.031 0.000 0.949 126 V N 2.525 122.435 119.914 -0.007 0.000 2.490 126 V HA -0.264 3.856 4.120 -0.001 0.000 0.250 126 V C 2.380 178.457 176.094 -0.028 0.000 1.061 126 V CA 2.173 64.475 62.300 0.005 0.000 1.064 126 V CB -1.228 30.613 31.823 0.030 0.000 0.670 126 V HN 0.651 nan 8.190 nan 0.000 0.461 127 R N 0.264 120.740 120.500 -0.039 0.000 2.200 127 R HA -0.181 4.158 4.340 -0.001 0.000 0.234 127 R C 1.374 177.631 176.300 -0.072 0.000 1.127 127 R CA 1.918 57.982 56.100 -0.060 0.000 0.989 127 R CB -0.624 29.639 30.300 -0.061 0.000 0.869 127 R HN 0.365 nan 8.270 nan 0.000 0.459 128 D N 0.792 121.147 120.400 -0.074 0.000 2.363 128 D HA 0.026 4.665 4.640 -0.001 0.000 0.220 128 D C 1.360 177.591 176.300 -0.114 0.000 0.994 128 D CA 0.680 54.626 54.000 -0.090 0.000 0.890 128 D CB 0.202 40.947 40.800 -0.093 0.000 0.906 128 D HN 0.311 nan 8.370 nan 0.000 0.530 129 L N -0.347 120.812 121.223 -0.107 0.000 2.607 129 L HA 0.209 4.549 4.340 -0.001 0.000 0.228 129 L C 0.916 177.767 176.870 -0.032 0.000 1.123 129 L CA 0.199 54.967 54.840 -0.120 0.000 0.890 129 L CB 0.428 42.421 42.059 -0.109 0.000 1.103 129 L HN -0.074 nan 8.230 nan 0.000 0.468 130 L N -0.763 120.431 121.223 -0.048 0.000 3.289 130 L HA 0.449 4.788 4.340 -0.001 0.000 0.291 130 L C 1.027 177.849 176.870 -0.081 0.000 1.279 130 L CA 0.155 54.966 54.840 -0.049 0.000 1.025 130 L CB 0.601 42.616 42.059 -0.074 0.000 1.413 130 L HN 0.238 nan 8.230 nan 0.000 0.593 131 G N -0.751 108.007 108.800 -0.071 0.000 2.201 131 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.212 131 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.212 131 G C 0.612 175.466 174.900 -0.076 0.000 0.994 131 G CA -0.246 44.809 45.100 -0.073 0.000 0.644 131 G HN 0.907 nan 8.290 nan 0.000 0.508 132 G N -1.485 107.267 108.800 -0.080 0.000 2.545 132 G HA2 0.419 4.379 3.960 -0.001 0.000 0.216 132 G HA3 0.419 4.379 3.960 -0.001 0.000 0.216 132 G C 0.238 175.091 174.900 -0.079 0.000 1.314 132 G CA 0.908 45.964 45.100 -0.073 0.000 0.906 132 G HN 2.403 nan 8.290 nan 0.000 0.563 133 T N -2.316 112.198 114.554 -0.067 0.000 2.823 133 T HA 0.700 5.050 4.350 -0.001 0.000 0.279 133 T C 0.789 175.450 174.700 -0.065 0.000 0.998 133 T CA 0.377 62.436 62.100 -0.068 0.000 0.994 133 T CB 1.901 70.736 68.868 -0.055 0.000 0.960 133 T HN 1.301 nan 8.240 nan 0.000 0.448 134 V N 2.581 122.451 119.914 -0.073 0.000 3.212 134 V HA 0.337 4.456 4.120 -0.001 0.000 0.244 134 V C 0.945 177.008 176.094 -0.053 0.000 1.151 134 V CA 0.662 62.923 62.300 -0.065 0.000 1.119 134 V CB -0.267 31.508 31.823 -0.080 0.000 0.838 134 V HN 1.001 nan 8.190 nan 0.000 0.470 135 R N 0.337 120.804 120.500 -0.056 0.000 2.739 135 R HA 0.492 4.832 4.340 -0.001 0.000 0.271 135 R C -1.095 175.179 176.300 -0.044 0.000 1.010 135 R CA -0.153 55.920 56.100 -0.045 0.000 0.897 135 R CB 1.238 31.511 30.300 -0.044 0.000 1.236 135 R HN 0.146 nan 8.270 nan 0.000 0.466 136 D N -0.147 120.231 120.400 -0.037 0.000 2.469 136 D HA 0.132 4.772 4.640 -0.001 0.000 0.213 136 D C -0.404 175.874 176.300 -0.037 0.000 1.135 136 D CA -0.217 53.762 54.000 -0.036 0.000 0.834 136 D CB 0.405 41.186 40.800 -0.031 0.000 1.009 136 D HN 0.609 nan 8.370 nan 0.000 0.507 137 K N -0.224 120.153 120.400 -0.038 0.000 2.568 137 K HA 0.607 4.926 4.320 -0.001 0.000 0.273 137 K C -1.452 175.122 176.600 -0.043 0.000 0.951 137 K CA -1.088 55.173 56.287 -0.043 0.000 0.854 137 K CB 2.446 34.926 32.500 -0.034 0.000 1.424 137 K HN -0.010 nan 8.250 nan 0.000 0.427 138 V N -1.749 118.134 119.914 -0.051 0.000 2.971 138 V HA 0.489 4.608 4.120 -0.001 0.000 0.309 138 V C -1.046 175.024 176.094 -0.040 0.000 1.130 138 V CA -0.997 61.274 62.300 -0.048 0.000 0.964 138 V CB 1.806 33.591 31.823 -0.062 0.000 1.029 138 V HN 0.849 nan 8.190 nan 0.000 0.427 139 D N 1.676 122.055 120.400 -0.035 0.000 2.382 139 D HA 0.499 5.139 4.640 -0.001 0.000 0.240 139 D C -0.347 175.944 176.300 -0.014 0.000 1.146 139 D CA 0.240 54.226 54.000 -0.023 0.000 0.897 139 D CB 1.976 42.753 40.800 -0.039 0.000 1.197 139 D HN 0.543 nan 8.370 nan 0.000 0.432 140 V N 1.553 121.483 119.914 0.026 0.000 2.588 140 V HA 0.266 4.386 4.120 -0.001 0.000 0.304 140 V C 0.171 176.311 176.094 0.076 0.000 1.042 140 V CA -0.683 61.669 62.300 0.086 0.000 0.877 140 V CB 2.180 34.123 31.823 0.200 0.000 0.996 140 V HN 0.473 nan 8.190 nan 0.000 0.425 141 T N 4.834 119.465 114.554 0.128 0.000 2.767 141 T HA 0.279 4.628 4.350 -0.001 0.000 0.284 141 T C -0.593 174.246 174.700 0.233 0.000 0.973 141 T CA -0.156 61.989 62.100 0.074 0.000 0.996 141 T CB 0.737 69.670 68.868 0.108 0.000 0.927 141 T HN 0.688 nan 8.240 nan 0.000 0.456 142 W N 3.540 124.722 121.300 -0.197 0.000 2.351 142 W HA 0.611 5.271 4.660 0.000 0.000 0.311 142 W C -0.577 175.908 176.519 -0.057 0.000 1.168 142 W CA -1.060 56.151 57.345 -0.223 0.000 1.200 142 W CB 0.701 30.038 29.460 -0.204 0.000 1.221 142 W HN 0.660 nan 8.180 nan 0.000 0.519 143 A N 5.925 128.232 122.820 -0.855 0.000 2.324 143 A HA 0.719 5.038 4.320 -0.001 0.000 0.330 143 A C -1.628 175.556 177.584 -0.666 0.000 1.165 143 A CA -0.714 51.058 52.037 -0.442 0.000 0.813 143 A CB 1.345 20.309 19.000 -0.059 0.000 1.197 143 A HN 0.571 nan 8.150 nan 0.000 0.484 144 L N 2.134 123.213 121.223 -0.240 0.000 2.305 144 L HA 0.563 4.902 4.340 -0.001 0.000 0.284 144 L C 1.112 177.848 176.870 -0.222 0.000 1.013 144 L CA 0.128 54.869 54.840 -0.165 0.000 0.819 144 L CB 1.384 43.428 42.059 -0.024 0.000 1.227 144 L HN 0.882 nan 8.230 nan 0.000 0.417 145 G N 1.381 109.959 108.800 -0.370 0.000 2.631 145 G HA2 0.250 4.209 3.960 -0.001 0.000 0.271 145 G HA3 0.250 4.209 3.960 -0.001 0.000 0.271 145 G C -0.175 174.534 174.900 -0.320 0.000 1.302 145 G CA -0.542 44.192 45.100 -0.609 0.000 1.002 145 G HN 0.503 nan 8.290 nan 0.000 0.519 146 V N 0.388 120.123 119.914 -0.298 0.000 2.452 146 V HA 0.380 4.500 4.120 -0.001 0.000 0.286 146 V C -0.182 175.833 176.094 -0.132 0.000 0.995 146 V CA 0.560 62.757 62.300 -0.172 0.000 1.116 146 V CB -0.997 30.740 31.823 -0.144 0.000 0.954 146 V HN 0.416 nan 8.190 nan 0.000 0.473 147 L N 6.853 128.021 121.223 -0.092 0.000 2.445 147 L HA 0.555 4.895 4.340 -0.001 0.000 0.262 147 L C -2.452 174.392 176.870 -0.043 0.000 0.974 147 L CA -1.973 52.829 54.840 -0.063 0.000 0.822 147 L CB 2.429 44.456 42.059 -0.053 0.000 1.339 147 L HN 0.392 nan 8.230 nan 0.000 0.409 148 P HA 0.003 nan 4.420 nan 0.000 0.268 148 P C 0.558 177.845 177.300 -0.021 0.000 1.208 148 P CA -0.403 62.682 63.100 -0.024 0.000 0.777 148 P CB 0.620 32.308 31.700 -0.020 0.000 0.875 149 L N 3.215 124.429 121.223 -0.015 0.000 1.980 149 L HA -0.321 4.019 4.340 -0.001 0.000 0.232 149 L C 1.422 178.280 176.870 -0.019 0.000 1.092 149 L CA 2.294 57.126 54.840 -0.014 0.000 0.808 149 L CB -1.585 40.469 42.059 -0.007 0.000 0.908 149 L HN 0.371 nan 8.230 nan 0.000 0.442 150 D N -1.081 119.309 120.400 -0.017 0.000 2.133 150 D HA -0.192 4.448 4.640 -0.001 0.000 0.195 150 D C 2.210 178.496 176.300 -0.023 0.000 0.997 150 D CA 1.718 55.707 54.000 -0.019 0.000 0.840 150 D CB -0.280 40.511 40.800 -0.015 0.000 0.947 150 D HN 0.297 nan 8.370 nan 0.000 0.452 151 V N 0.917 120.819 119.914 -0.020 0.000 2.255 151 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 151 V C 2.415 178.496 176.094 -0.022 0.000 1.051 151 V CA 1.984 64.273 62.300 -0.018 0.000 1.018 151 V CB -0.924 30.889 31.823 -0.017 0.000 0.641 151 V HN 0.268 nan 8.190 nan 0.000 0.445 152 A N -0.083 122.720 122.820 -0.027 0.000 1.877 152 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 152 A C 2.304 179.850 177.584 -0.062 0.000 1.186 152 A CA 2.043 54.059 52.037 -0.035 0.000 0.620 152 A CB -0.811 18.169 19.000 -0.035 0.000 0.822 152 A HN 0.364 nan 8.150 nan 0.000 0.443 153 V N -0.250 119.629 119.914 -0.060 0.000 2.828 153 V HA -0.209 3.910 4.120 -0.001 0.000 0.260 153 V C 2.715 178.759 176.094 -0.083 0.000 1.101 153 V CA 1.752 64.005 62.300 -0.077 0.000 1.123 153 V CB -1.254 30.539 31.823 -0.051 0.000 0.704 153 V HN 0.634 nan 8.190 nan 0.000 0.493 154 A N -0.318 122.465 122.820 -0.063 0.000 1.887 154 A HA -0.080 4.240 4.320 -0.001 0.000 0.212 154 A C 2.264 179.809 177.584 -0.065 0.000 1.198 154 A CA 1.037 53.041 52.037 -0.056 0.000 0.628 154 A CB -0.362 18.616 19.000 -0.036 0.000 0.847 154 A HN 0.489 nan 8.150 nan 0.000 0.449 155 E N 0.100 120.272 120.200 -0.048 0.000 2.085 155 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 155 E C 1.811 178.361 176.600 -0.083 0.000 0.994 155 E CA 1.435 57.821 56.400 -0.024 0.000 0.801 155 E CB -0.240 29.492 29.700 0.053 0.000 0.743 155 E HN 0.660 nan 8.360 nan 0.000 0.453 156 I N 1.169 121.626 120.570 -0.189 0.000 2.127 156 I HA -0.276 3.893 4.170 -0.001 0.000 0.241 156 I C 2.415 178.357 176.117 -0.291 0.000 1.075 156 I CA 1.147 62.167 61.300 -0.467 0.000 1.334 156 I CB -0.353 37.258 38.000 -0.649 0.000 1.040 156 I HN 0.125 nan 8.210 nan 0.000 0.405 157 E N 0.552 120.644 120.200 -0.181 0.000 2.130 157 E HA -0.301 4.049 4.350 -0.001 0.000 0.196 157 E C 1.934 178.492 176.600 -0.070 0.000 0.998 157 E CA 1.439 57.778 56.400 -0.102 0.000 0.806 157 E CB -0.310 29.344 29.700 -0.077 0.000 0.738 157 E HN 0.589 nan 8.360 nan 0.000 0.459 158 E N 0.634 120.788 120.200 -0.078 0.000 2.015 158 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 158 E C 2.133 178.689 176.600 -0.073 0.000 0.991 158 E CA 0.739 57.093 56.400 -0.076 0.000 0.802 158 E CB 0.161 29.816 29.700 -0.075 0.000 0.759 158 E HN -0.015 nan 8.360 nan 0.000 0.447 159 R N 0.464 120.926 120.500 -0.062 0.000 2.103 159 R HA -0.168 4.172 4.340 -0.001 0.000 0.242 159 R C 2.460 178.816 176.300 0.093 0.000 1.142 159 R CA 1.335 57.428 56.100 -0.012 0.000 0.960 159 R CB -0.946 29.356 30.300 0.004 0.000 0.858 159 R HN 0.418 nan 8.270 nan 0.000 0.439 160 I N 0.914 121.565 120.570 0.135 0.000 2.208 160 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 160 I C 2.350 178.495 176.117 0.046 0.000 1.097 160 I CA 1.346 62.732 61.300 0.144 0.000 1.363 160 I CB -0.270 37.803 38.000 0.122 0.000 1.051 160 I HN 0.100 nan 8.210 nan 0.000 0.413 161 E N 0.360 120.554 120.200 -0.010 0.000 2.076 161 E HA -0.192 4.158 4.350 -0.001 0.000 0.190 161 E C 2.003 178.539 176.600 -0.107 0.000 0.979 161 E CA 0.961 57.331 56.400 -0.049 0.000 0.807 161 E CB -0.021 29.644 29.700 -0.058 0.000 0.761 161 E HN 0.536 nan 8.360 nan 0.000 0.454 162 E N -0.876 119.219 120.200 -0.175 0.000 2.051 162 E HA -0.078 4.272 4.350 -0.001 0.000 0.189 162 E C 1.361 177.650 176.600 -0.519 0.000 0.979 162 E CA 0.690 56.857 56.400 -0.389 0.000 0.803 162 E CB 0.113 29.495 29.700 -0.528 0.000 0.761 162 E HN 0.094 nan 8.360 nan 0.000 0.451 163 F N -1.284 118.612 119.950 -0.089 0.000 2.653 163 F HA 0.352 4.879 4.527 -0.000 0.000 0.288 163 F C 1.531 177.319 175.800 -0.021 0.000 1.121 163 F CA 0.701 58.661 58.000 -0.067 0.000 1.384 163 F CB 1.300 40.210 39.000 -0.150 0.000 1.115 163 F HN 0.242 nan 8.300 nan 0.000 0.599 164 G N 0.647 109.533 108.800 0.143 0.000 2.159 164 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.227 164 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.227 164 G C -0.154 174.797 174.900 0.084 0.000 0.986 164 G CA -0.252 44.910 45.100 0.104 0.000 0.651 164 G HN 0.361 nan 8.290 nan 0.000 0.523 165 N N 0.203 118.943 118.700 0.067 0.000 2.412 165 N HA 0.374 5.113 4.740 -0.001 0.000 0.254 165 N C 1.374 176.805 175.510 -0.131 0.000 1.232 165 N CA 0.430 53.416 53.050 -0.106 0.000 0.880 165 N CB 0.324 38.619 38.487 -0.319 0.000 1.076 165 N HN 0.441 nan 8.380 nan 0.000 0.458 166 R N 0.143 120.552 120.500 -0.151 0.000 2.397 166 R HA 0.134 4.473 4.340 -0.001 0.000 0.241 166 R C -0.285 175.955 176.300 -0.099 0.000 0.914 166 R CA -0.004 56.068 56.100 -0.046 0.000 1.071 166 R CB 0.134 30.431 30.300 -0.005 0.000 1.116 166 R HN 0.621 nan 8.270 nan 0.000 0.524 167 S N -0.091 115.390 115.700 -0.364 0.000 2.540 167 S HA 0.649 5.119 4.470 -0.001 0.000 0.275 167 S C -0.902 173.343 174.600 -0.591 0.000 1.123 167 S CA -0.843 57.198 58.200 -0.266 0.000 0.907 167 S CB 1.408 64.520 63.200 -0.147 0.000 1.081 167 S HN 0.043 nan 8.310 nan 0.000 0.476 168 F N 1.119 121.123 119.950 0.090 0.000 2.547 168 F HA 0.592 5.118 4.527 -0.001 0.000 0.316 168 F C 0.039 175.878 175.800 0.065 0.000 1.121 168 F CA -0.701 57.360 58.000 0.103 0.000 0.911 168 F CB 2.319 41.385 39.000 0.111 0.000 1.179 168 F HN 0.706 nan 8.300 nan 0.000 0.443 169 K N 4.625 125.141 120.400 0.194 0.000 2.235 169 K HA 0.661 4.980 4.320 -0.001 0.000 0.266 169 K C -1.639 175.016 176.600 0.092 0.000 0.980 169 K CA -0.422 55.939 56.287 0.123 0.000 0.849 169 K CB 0.883 33.449 32.500 0.109 0.000 1.098 169 K HN 0.751 nan 8.250 nan 0.000 0.445 170 L N 5.031 126.296 121.223 0.070 0.000 2.280 170 L HA 0.401 4.740 4.340 -0.001 0.000 0.287 170 L C 0.258 177.120 176.870 -0.015 0.000 1.023 170 L CA -0.874 53.978 54.840 0.020 0.000 0.819 170 L CB 1.454 43.530 42.059 0.028 0.000 1.212 170 L HN 0.632 nan 8.230 nan 0.000 0.420 174 A N 0.872 123.707 122.820 0.024 0.000 2.276 174 A HA 0.781 5.100 4.320 -0.001 0.000 0.300 174 A C 1.197 178.796 177.584 0.025 0.000 1.235 174 A CA 0.846 52.888 52.037 0.008 0.000 0.867 174 A CB 0.006 18.985 19.000 -0.035 0.000 1.137 174 A HN 2.101 nan 8.150 nan 0.000 0.527 175 G N 2.161 110.973 108.800 0.019 0.000 2.642 175 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.231 175 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.231 175 G C -0.186 174.714 174.900 0.001 0.000 1.338 175 G CA 0.150 45.252 45.100 0.004 0.000 0.883 175 G HN 1.283 nan 8.290 nan 0.000 0.570 176 D N 1.038 121.417 120.400 -0.035 0.000 2.520 176 D HA 0.358 4.997 4.640 -0.001 0.000 0.243 176 D C -0.388 175.830 176.300 -0.136 0.000 1.160 176 D CA -0.368 53.579 54.000 -0.089 0.000 0.877 176 D CB 0.879 41.629 40.800 -0.083 0.000 1.150 176 D HN 0.102 nan 8.370 nan 0.000 0.494 177 P HA -0.211 nan 4.420 nan 0.000 0.215 177 P C 0.951 177.826 177.300 -0.708 0.000 1.157 177 P CA 1.899 64.668 63.100 -0.551 0.000 0.874 177 P CB 0.058 31.068 31.700 -1.150 0.000 0.790 178 A N -0.079 122.264 122.820 -0.795 0.000 1.908 178 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 178 A C 2.119 179.607 177.584 -0.160 0.000 1.181 178 A CA 1.889 53.642 52.037 -0.475 0.000 0.627 178 A CB -1.220 17.713 19.000 -0.112 0.000 0.818 178 A HN 0.229 nan 8.150 nan 0.000 0.445 179 E N -0.719 119.413 120.200 -0.114 0.000 2.072 179 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 179 E C 1.635 178.228 176.600 -0.013 0.000 0.985 179 E CA 0.906 57.282 56.400 -0.039 0.000 0.801 179 E CB -0.214 29.466 29.700 -0.033 0.000 0.750 179 E HN 0.534 nan 8.360 nan 0.000 0.452 180 D N 0.409 120.807 120.400 -0.004 0.000 2.104 180 D HA -0.122 4.518 4.640 -0.001 0.000 0.194 180 D C 1.916 178.260 176.300 0.073 0.000 0.994 180 D CA 1.322 55.354 54.000 0.052 0.000 0.830 180 D CB -0.118 40.767 40.800 0.141 0.000 0.959 180 D HN 0.024 nan 8.370 nan 0.000 0.452 181 T N -0.014 114.593 114.554 0.089 0.000 2.674 181 T HA -0.159 4.191 4.350 -0.001 0.000 0.265 181 T C 2.081 176.844 174.700 0.104 0.000 1.039 181 T CA 1.293 63.477 62.100 0.140 0.000 1.150 181 T CB -0.124 68.838 68.868 0.157 0.000 0.864 181 T HN 0.083 nan 8.240 nan 0.000 0.427 182 R N 0.660 121.203 120.500 0.071 0.000 2.080 182 R HA -0.066 4.274 4.340 -0.001 0.000 0.236 182 R C 2.617 178.947 176.300 0.049 0.000 1.137 182 R CA 1.631 57.769 56.100 0.063 0.000 0.943 182 R CB -0.230 30.096 30.300 0.044 0.000 0.846 182 R HN 0.286 nan 8.270 nan 0.000 0.431 183 R N -0.107 120.415 120.500 0.036 0.000 2.115 183 R HA -0.187 4.152 4.340 -0.001 0.000 0.239 183 R C 1.881 178.199 176.300 0.030 0.000 1.133 183 R CA 2.339 58.453 56.100 0.024 0.000 0.935 183 R CB -0.448 29.860 30.300 0.013 0.000 0.853 183 R HN 0.157 nan 8.270 nan 0.000 0.433 184 V N 0.915 120.855 119.914 0.043 0.000 2.453 184 V HA -0.139 3.981 4.120 -0.001 0.000 0.247 184 V C 2.547 178.681 176.094 0.067 0.000 1.048 184 V CA 1.672 64.002 62.300 0.051 0.000 1.049 184 V CB -0.731 31.127 31.823 0.060 0.000 0.672 184 V HN 0.590 nan 8.190 nan 0.000 0.457 185 A N -0.070 122.799 122.820 0.082 0.000 1.883 185 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 185 A C 2.193 179.814 177.584 0.062 0.000 1.186 185 A CA 2.100 54.189 52.037 0.087 0.000 0.624 185 A CB -0.503 18.555 19.000 0.098 0.000 0.822 185 A HN 0.612 nan 8.150 nan 0.000 0.444 186 E N -0.601 119.628 120.200 0.049 0.000 2.051 186 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 186 E C 2.057 178.672 176.600 0.026 0.000 0.991 186 E CA 1.182 57.602 56.400 0.034 0.000 0.799 186 E CB -0.298 29.418 29.700 0.027 0.000 0.748 186 E HN 0.642 nan 8.360 nan 0.000 0.449 187 L N 0.622 121.858 121.223 0.022 0.000 2.079 187 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 187 L C 2.354 179.234 176.870 0.017 0.000 1.081 187 L CA 1.407 56.253 54.840 0.009 0.000 0.752 187 L CB -0.220 41.841 42.059 0.003 0.000 0.896 187 L HN 0.097 nan 8.230 nan 0.000 0.433 188 A N 0.107 122.949 122.820 0.037 0.000 1.933 188 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 188 A C 2.265 179.874 177.584 0.041 0.000 1.175 188 A CA 1.563 53.629 52.037 0.048 0.000 0.628 188 A CB -0.514 18.527 19.000 0.069 0.000 0.814 188 A HN 0.507 nan 8.150 nan 0.000 0.444 189 R N -0.375 120.147 120.500 0.038 0.000 2.235 189 R HA -0.050 4.289 4.340 -0.001 0.000 0.213 189 R C 1.725 178.039 176.300 0.022 0.000 1.059 189 R CA 1.250 57.369 56.100 0.032 0.000 0.997 189 R CB -0.123 30.196 30.300 0.032 0.000 0.884 189 R HN 0.695 nan 8.270 nan 0.000 0.462 190 E N -0.020 120.189 120.200 0.015 0.000 2.079 190 E HA -0.039 4.311 4.350 -0.001 0.000 0.191 190 E C 1.854 178.456 176.600 0.002 0.000 0.961 190 E CA 0.829 57.232 56.400 0.006 0.000 0.823 190 E CB 0.287 29.985 29.700 -0.003 0.000 0.789 190 E HN 0.036 nan 8.360 nan 0.000 0.459 191 V N 0.725 120.637 119.914 -0.003 0.000 2.992 191 V HA 0.030 4.149 4.120 -0.001 0.000 0.250 191 V C 2.223 178.332 176.094 0.025 0.000 1.090 191 V CA 1.195 63.491 62.300 -0.007 0.000 1.101 191 V CB -0.263 31.529 31.823 -0.051 0.000 0.743 191 V HN 0.352 nan 8.190 nan 0.000 0.468 192 G N 0.308 109.130 108.800 0.036 0.000 2.568 192 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.220 192 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.220 192 G C 1.065 175.996 174.900 0.052 0.000 1.104 192 G CA 1.167 46.300 45.100 0.054 0.000 0.738 192 G HN 0.533 nan 8.290 nan 0.000 0.574 193 D N -0.034 120.391 120.400 0.042 0.000 2.271 193 D HA 0.018 4.657 4.640 -0.001 0.000 0.206 193 D C 2.551 178.878 176.300 0.045 0.000 0.967 193 D CA 0.384 54.407 54.000 0.039 0.000 0.867 193 D CB 0.043 40.861 40.800 0.029 0.000 0.960 193 D HN 0.363 nan 8.370 nan 0.000 0.509 194 R N 0.493 121.025 120.500 0.053 0.000 2.206 194 R HA 0.120 4.459 4.340 -0.001 0.000 0.198 194 R C 1.032 177.390 176.300 0.097 0.000 0.986 194 R CA 0.336 56.475 56.100 0.064 0.000 1.029 194 R CB 0.777 31.110 30.300 0.055 0.000 0.966 194 R HN 0.083 nan 8.270 nan 0.000 0.487 195 V N -2.948 117.042 119.914 0.127 0.000 3.158 195 V HA 0.491 4.611 4.120 -0.001 0.000 0.311 195 V C -0.379 175.807 176.094 0.152 0.000 1.181 195 V CA -1.227 61.182 62.300 0.181 0.000 1.054 195 V CB 1.921 33.968 31.823 0.374 0.000 1.085 195 V HN -0.050 nan 8.190 nan 0.000 0.446 196 S N 1.106 116.890 115.700 0.140 0.000 2.489 196 S HA 0.665 5.135 4.470 -0.001 0.000 0.277 196 S C -0.615 174.069 174.600 0.140 0.000 1.230 196 S CA -0.548 57.714 58.200 0.103 0.000 1.053 196 S CB -0.478 62.756 63.200 0.058 0.000 0.955 196 S HN 0.648 nan 8.310 nan 0.000 0.488 197 L N 5.047 126.342 121.223 0.119 0.000 2.329 197 L HA 0.691 5.031 4.340 -0.001 0.000 0.279 197 L C -0.204 176.719 176.870 0.089 0.000 1.014 197 L CA -0.894 54.025 54.840 0.132 0.000 0.814 197 L CB 1.711 43.841 42.059 0.119 0.000 1.257 197 L HN 0.638 nan 8.230 nan 0.000 0.424 198 R N 2.364 122.925 120.500 0.101 0.000 2.808 198 R HA 0.752 5.092 4.340 -0.001 0.000 0.272 198 R C -1.179 175.182 176.300 0.102 0.000 0.995 198 R CA -0.662 55.487 56.100 0.081 0.000 0.917 198 R CB 2.086 32.427 30.300 0.068 0.000 1.217 198 R HN 0.539 nan 8.270 nan 0.000 0.471 199 I N -2.744 117.899 120.570 0.123 0.000 3.002 199 I HA 0.730 4.900 4.170 -0.001 0.000 0.310 199 I C -1.143 175.018 176.117 0.073 0.000 1.087 199 I CA -0.630 60.725 61.300 0.092 0.000 1.017 199 I CB 2.433 40.488 38.000 0.092 0.000 1.226 199 I HN 0.364 nan 8.210 nan 0.000 0.443 200 D N 2.996 123.407 120.400 0.018 0.000 2.855 200 D HA 0.452 5.091 4.640 -0.001 0.000 0.241 200 D C -0.318 175.949 176.300 -0.055 0.000 1.277 200 D CA -0.330 53.687 54.000 0.027 0.000 0.918 200 D CB 1.681 42.542 40.800 0.101 0.000 1.462 200 D HN 0.688 nan 8.370 nan 0.000 0.559 201 I N 1.748 122.241 120.570 -0.129 0.000 3.976 201 I HA 0.105 4.274 4.170 -0.001 0.000 0.337 201 I C 0.539 176.606 176.117 -0.084 0.000 1.359 201 I CA -0.368 60.784 61.300 -0.247 0.000 1.098 201 I CB -0.208 37.436 38.000 -0.593 0.000 1.027 201 I HN 0.340 nan 8.210 nan 0.000 0.394 202 N N 2.374 121.085 118.700 0.019 0.000 2.716 202 N HA -0.275 4.464 4.740 -0.001 0.000 0.250 202 N C 0.928 176.425 175.510 -0.022 0.000 1.033 202 N CA 0.904 53.984 53.050 0.050 0.000 0.727 202 N CB -0.530 38.102 38.487 0.240 0.000 0.950 202 N HN 0.668 nan 8.380 nan 0.000 0.541 203 A N -1.380 121.420 122.820 -0.033 0.000 2.847 203 A HA -0.285 4.034 4.320 -0.001 0.000 0.263 203 A C 1.380 178.986 177.584 0.038 0.000 1.391 203 A CA 1.633 53.663 52.037 -0.013 0.000 0.866 203 A CB -0.751 18.212 19.000 -0.062 0.000 1.057 203 A HN 0.416 nan 8.150 nan 0.000 0.673 204 R N -1.857 118.675 120.500 0.054 0.000 2.317 204 R HA 0.115 4.454 4.340 -0.001 0.000 0.208 204 R C -0.298 176.177 176.300 0.293 0.000 0.914 204 R CA 0.095 56.272 56.100 0.127 0.000 1.060 204 R CB -0.136 30.226 30.300 0.105 0.000 1.015 204 R HN 0.647 nan 8.270 nan 0.000 0.498 205 W N 2.141 123.441 121.300 0.001 0.000 2.520 205 W HA 0.181 4.840 4.660 -0.002 0.000 0.323 205 W C 0.191 176.712 176.519 0.004 0.000 1.062 205 W CA -1.979 55.367 57.345 0.001 0.000 1.215 205 W CB 0.771 30.231 29.460 0.001 0.000 1.340 205 W HN 0.037 nan 8.180 nan 0.000 0.516 206 D N 0.912 121.410 120.400 0.163 0.000 2.377 206 D HA 0.117 4.756 4.640 -0.001 0.000 0.245 206 D C 1.388 177.743 176.300 0.092 0.000 1.196 206 D CA -0.437 53.617 54.000 0.090 0.000 0.962 206 D CB 0.664 41.481 40.800 0.029 0.000 1.127 206 D HN 0.412 nan 8.370 nan 0.000 0.471 207 R N -0.015 120.523 120.500 0.063 0.000 2.094 207 R HA -0.224 4.116 4.340 -0.001 0.000 0.239 207 R C 2.167 178.491 176.300 0.040 0.000 1.137 207 R CA 1.464 57.598 56.100 0.057 0.000 0.943 207 R CB -0.174 30.148 30.300 0.036 0.000 0.850 207 R HN 0.568 nan 8.270 nan 0.000 0.433 208 R N -0.292 120.214 120.500 0.010 0.000 2.091 208 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 208 R C 1.819 178.101 176.300 -0.030 0.000 1.136 208 R CA 2.096 58.189 56.100 -0.012 0.000 0.959 208 R CB -0.311 29.968 30.300 -0.034 0.000 0.856 208 R HN 0.305 nan 8.270 nan 0.000 0.437 209 T N 0.555 115.073 114.554 -0.061 0.000 2.777 209 T HA -0.057 4.292 4.350 -0.001 0.000 0.266 209 T C 1.806 176.495 174.700 -0.018 0.000 1.040 209 T CA 1.265 63.281 62.100 -0.139 0.000 1.141 209 T CB -0.200 68.431 68.868 -0.395 0.000 0.868 209 T HN 0.430 nan 8.240 nan 0.000 0.444 210 A N 1.393 124.303 122.820 0.149 0.000 1.873 210 A HA 0.058 4.378 4.320 -0.001 0.000 0.215 210 A C 2.276 179.944 177.584 0.140 0.000 1.186 210 A CA 1.099 53.325 52.037 0.315 0.000 0.616 210 A CB -0.872 18.289 19.000 0.269 0.000 0.823 210 A HN 0.463 nan 8.150 nan 0.000 0.442 211 L N -1.164 120.102 121.223 0.072 0.000 2.191 211 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 211 L C 2.710 179.575 176.870 -0.008 0.000 1.103 211 L CA 1.478 56.334 54.840 0.028 0.000 0.769 211 L CB -0.589 41.480 42.059 0.018 0.000 0.908 211 L HN 0.610 nan 8.230 nan 0.000 0.438 212 H N -0.620 118.356 119.070 -0.157 0.000 2.355 212 H HA -0.111 4.445 4.556 -0.001 0.000 0.303 212 H C 1.955 177.055 175.328 -0.379 0.000 1.061 212 H CA 1.794 57.641 56.048 -0.336 0.000 1.368 212 H CB 0.174 29.600 29.762 -0.560 0.000 1.412 212 H HN 0.257 nan 8.280 nan 0.000 0.523 213 Y N 0.414 120.811 120.300 0.162 0.000 2.389 213 Y HA 0.059 4.609 4.550 -0.001 0.000 0.292 213 Y C 2.861 178.840 175.900 0.132 0.000 1.117 213 Y CA 0.149 58.341 58.100 0.153 0.000 1.195 213 Y CB -0.228 38.273 38.460 0.068 0.000 1.076 213 Y HN 0.019 nan 8.280 nan 0.000 0.548 214 L N 0.272 121.627 121.223 0.220 0.000 2.129 214 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 214 L C -0.692 176.221 176.870 0.072 0.000 1.087 214 L CA 1.187 55.984 54.840 -0.071 0.000 0.757 214 L CB -1.736 39.967 42.059 -0.593 0.000 0.896 214 L HN 0.188 nan 8.230 nan 0.000 0.434 215 P HA -0.175 nan 4.420 nan 0.000 0.218 215 P C 1.797 179.176 177.300 0.132 0.000 1.148 215 P CA 1.429 64.596 63.100 0.113 0.000 0.822 215 P CB 0.047 31.760 31.700 0.022 0.000 0.784 216 I N -1.557 119.091 120.570 0.130 0.000 2.315 216 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 216 I C 2.166 178.388 176.117 0.175 0.000 1.117 216 I CA 1.252 62.636 61.300 0.140 0.000 1.404 216 I CB -0.556 37.547 38.000 0.172 0.000 1.071 216 I HN -0.078 nan 8.210 nan 0.000 0.419 217 L N 0.401 121.762 121.223 0.230 0.000 2.109 217 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 217 L C 2.884 179.931 176.870 0.294 0.000 1.086 217 L CA 1.011 56.014 54.840 0.272 0.000 0.760 217 L CB -0.722 41.548 42.059 0.352 0.000 0.910 217 L HN 0.218 nan 8.230 nan 0.000 0.437 218 A N 0.226 123.265 122.820 0.364 0.000 1.858 218 A HA -0.275 4.045 4.320 -0.001 0.000 0.216 218 A C 2.259 179.925 177.584 0.137 0.000 1.190 218 A CA 1.957 54.152 52.037 0.264 0.000 0.617 218 A CB -0.576 18.603 19.000 0.298 0.000 0.827 218 A HN 0.448 nan 8.150 nan 0.000 0.443 219 E N -0.224 120.051 120.200 0.126 0.000 2.085 219 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 219 E C 2.105 178.751 176.600 0.077 0.000 0.994 219 E CA 1.081 57.531 56.400 0.083 0.000 0.801 219 E CB -0.270 29.473 29.700 0.071 0.000 0.743 219 E HN 0.539 nan 8.360 nan 0.000 0.453 220 A N -0.119 122.758 122.820 0.095 0.000 1.978 220 A HA -0.038 4.282 4.320 -0.001 0.000 0.220 220 A C 1.961 179.588 177.584 0.072 0.000 1.170 220 A CA 1.861 53.948 52.037 0.084 0.000 0.636 220 A CB -0.449 18.611 19.000 0.100 0.000 0.810 220 A HN 0.561 nan 8.150 nan 0.000 0.448 221 G N -3.088 105.757 108.800 0.074 0.000 2.273 221 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.162 221 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.162 221 G C 0.041 174.964 174.900 0.039 0.000 1.006 221 G CA -0.115 45.015 45.100 0.050 0.000 0.704 221 G HN 0.704 nan 8.290 nan 0.000 0.487 222 V N 1.498 121.446 119.914 0.057 0.000 2.599 222 V HA 0.202 4.322 4.120 -0.001 0.000 0.300 222 V C 1.293 177.311 176.094 -0.127 0.000 1.034 222 V CA 1.024 63.337 62.300 0.022 0.000 1.115 222 V CB 1.196 33.099 31.823 0.134 0.000 0.934 222 V HN 0.486 nan 8.190 nan 0.000 0.485 223 E N 3.611 123.741 120.200 -0.117 0.000 2.472 223 E HA 0.292 4.641 4.350 -0.001 0.000 0.196 223 E C -0.261 176.190 176.600 -0.248 0.000 1.033 223 E CA -0.016 56.289 56.400 -0.159 0.000 0.886 223 E CB 0.809 30.484 29.700 -0.041 0.000 0.944 223 E HN 0.473 nan 8.360 nan 0.000 0.492 224 L N 0.142 121.192 121.223 -0.289 0.000 2.565 224 L HA 0.338 4.678 4.340 -0.001 0.000 0.261 224 L C -1.903 174.877 176.870 -0.151 0.000 0.932 224 L CA -0.597 54.096 54.840 -0.245 0.000 0.878 224 L CB 1.320 43.348 42.059 -0.051 0.000 1.333 224 L HN -0.226 nan 8.230 nan 0.000 0.409 225 F N 3.214 123.175 119.950 0.018 0.000 2.293 225 F HA 0.432 4.959 4.527 -0.000 0.000 0.370 225 F C 0.499 176.304 175.800 0.008 0.000 1.090 225 F CA -0.691 57.315 58.000 0.010 0.000 1.133 225 F CB 1.031 40.044 39.000 0.022 0.000 1.360 225 F HN 0.474 nan 8.300 nan 0.000 0.489 226 E N 2.559 122.866 120.200 0.178 0.000 2.223 226 E HA 0.086 4.435 4.350 -0.001 0.000 0.282 226 E C 0.119 176.775 176.600 0.093 0.000 1.046 226 E CA -0.505 55.967 56.400 0.119 0.000 0.857 226 E CB 0.558 30.321 29.700 0.105 0.000 1.055 226 E HN 0.548 nan 8.360 nan 0.000 0.409 227 Q N 4.287 124.142 119.800 0.090 0.000 2.402 227 Q HA -0.175 4.165 4.340 -0.001 0.000 0.370 227 Q C -1.881 174.129 176.000 0.017 0.000 1.334 227 Q CA 0.647 56.486 55.803 0.060 0.000 1.151 227 Q CB 0.015 28.787 28.738 0.056 0.000 1.324 227 Q HN 0.485 nan 8.270 nan 0.000 0.332 228 P HA -0.071 nan 4.420 nan 0.000 0.225 228 P C 0.149 177.467 177.300 0.031 0.000 1.156 228 P CA 1.311 64.375 63.100 -0.061 0.000 0.787 228 P CB 0.299 31.951 31.700 -0.080 0.000 0.802 229 T N -4.630 109.959 114.554 0.058 0.000 2.927 229 T HA 0.567 4.917 4.350 -0.001 0.000 0.286 229 T C -3.048 171.677 174.700 0.041 0.000 1.040 229 T CA -2.854 59.294 62.100 0.079 0.000 1.010 229 T CB 0.705 69.625 68.868 0.087 0.000 1.177 229 T HN -0.282 nan 8.240 nan 0.000 0.546 230 P HA 0.171 nan 4.420 nan 0.000 0.264 230 P C 0.673 177.973 177.300 0.001 0.000 1.179 230 P CA 0.116 63.221 63.100 0.008 0.000 0.763 230 P CB 0.159 31.866 31.700 0.012 0.000 0.806 231 A N 3.681 126.488 122.820 -0.022 0.000 1.940 231 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 231 A C 1.677 179.257 177.584 -0.007 0.000 1.176 231 A CA 2.361 54.391 52.037 -0.011 0.000 0.631 231 A CB -1.402 17.578 19.000 -0.034 0.000 0.814 231 A HN 0.716 nan 8.150 nan 0.000 0.446 232 D N -1.143 119.245 120.400 -0.020 0.000 2.277 232 D HA -0.069 4.570 4.640 -0.001 0.000 0.208 232 D C 0.582 176.881 176.300 -0.002 0.000 0.962 232 D CA 0.727 54.716 54.000 -0.019 0.000 0.865 232 D CB -0.189 40.594 40.800 -0.028 0.000 0.939 232 D HN 0.211 nan 8.370 nan 0.000 0.510 233 D N 0.431 120.836 120.400 0.008 0.000 2.558 233 D HA 0.076 4.716 4.640 -0.001 0.000 0.221 233 D C 1.139 177.454 176.300 0.025 0.000 1.143 233 D CA -0.135 53.875 54.000 0.016 0.000 1.010 233 D CB 0.215 41.027 40.800 0.021 0.000 1.068 233 D HN 0.249 nan 8.370 nan 0.000 0.511 234 L N 1.212 122.449 121.223 0.023 0.000 2.141 234 L HA -0.088 4.252 4.340 -0.001 0.000 0.209 234 L C 2.057 178.945 176.870 0.031 0.000 1.094 234 L CA 0.787 55.644 54.840 0.030 0.000 0.763 234 L CB -0.126 41.949 42.059 0.026 0.000 0.908 234 L HN 0.266 nan 8.230 nan 0.000 0.437 235 E N -0.280 119.934 120.200 0.025 0.000 2.153 235 E HA -0.170 4.180 4.350 -0.001 0.000 0.194 235 E C 2.065 178.684 176.600 0.031 0.000 0.988 235 E CA 1.585 58.000 56.400 0.025 0.000 0.811 235 E CB -0.007 29.704 29.700 0.019 0.000 0.746 235 E HN 0.400 nan 8.360 nan 0.000 0.466 236 T N 1.033 115.608 114.554 0.034 0.000 2.857 236 T HA -0.043 4.306 4.350 -0.001 0.000 0.266 236 T C 1.843 176.575 174.700 0.053 0.000 1.048 236 T CA 0.547 62.672 62.100 0.042 0.000 1.139 236 T CB -0.035 68.859 68.868 0.043 0.000 0.874 236 T HN 0.098 nan 8.240 nan 0.000 0.455 237 L N 0.754 122.011 121.223 0.056 0.000 2.083 237 L HA -0.082 4.258 4.340 -0.001 0.000 0.209 237 L C 2.810 179.722 176.870 0.071 0.000 1.083 237 L CA 1.149 56.030 54.840 0.069 0.000 0.752 237 L CB -0.415 41.683 42.059 0.065 0.000 0.899 237 L HN 0.130 nan 8.230 nan 0.000 0.433 238 R N 0.820 121.353 120.500 0.054 0.000 2.075 238 R HA -0.202 4.138 4.340 -0.001 0.000 0.232 238 R C 2.074 178.404 176.300 0.052 0.000 1.126 238 R CA 1.666 57.795 56.100 0.048 0.000 0.963 238 R CB -0.394 29.928 30.300 0.036 0.000 0.858 238 R HN 0.218 nan 8.270 nan 0.000 0.435 239 E N 0.571 120.800 120.200 0.048 0.000 2.106 239 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 239 E C 1.903 178.539 176.600 0.059 0.000 0.984 239 E CA 1.644 58.071 56.400 0.045 0.000 0.806 239 E CB -0.392 29.330 29.700 0.036 0.000 0.750 239 E HN 0.610 nan 8.360 nan 0.000 0.458 240 I N -1.670 118.946 120.570 0.076 0.000 2.394 240 I HA -0.151 4.018 4.170 -0.001 0.000 0.251 240 I C 1.780 177.981 176.117 0.141 0.000 1.136 240 I CA 1.638 62.996 61.300 0.098 0.000 1.425 240 I CB -0.442 37.616 38.000 0.097 0.000 1.079 240 I HN -0.077 nan 8.210 nan 0.000 0.425 241 T N 0.944 115.576 114.554 0.130 0.000 2.857 241 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 241 T C 1.995 176.744 174.700 0.082 0.000 1.048 241 T CA 1.298 63.469 62.100 0.119 0.000 1.139 241 T CB -0.236 68.682 68.868 0.083 0.000 0.874 241 T HN 0.404 nan 8.240 nan 0.000 0.455 242 R N 0.745 121.283 120.500 0.063 0.000 2.096 242 R HA 0.038 4.377 4.340 -0.001 0.000 0.235 242 R C 2.575 178.904 176.300 0.048 0.000 1.127 242 R CA 1.149 57.277 56.100 0.046 0.000 0.968 242 R CB -0.095 30.226 30.300 0.035 0.000 0.861 242 R HN 0.316 nan 8.270 nan 0.000 0.440 243 R N -0.672 119.863 120.500 0.058 0.000 2.210 243 R HA -0.003 4.337 4.340 -0.001 0.000 0.203 243 R C 1.833 178.176 176.300 0.071 0.000 1.010 243 R CA 1.526 57.656 56.100 0.051 0.000 1.008 243 R CB 0.269 30.592 30.300 0.039 0.000 0.923 243 R HN 0.315 nan 8.270 nan 0.000 0.469 244 T N -3.492 111.131 114.554 0.114 0.000 2.971 244 T HA 0.106 4.455 4.350 -0.001 0.000 0.252 244 T C 0.690 175.459 174.700 0.115 0.000 1.022 244 T CA -0.269 61.923 62.100 0.154 0.000 0.980 244 T CB 0.264 69.322 68.868 0.317 0.000 1.044 244 T HN 0.017 nan 8.240 nan 0.000 0.501 245 N N 0.724 119.475 118.700 0.085 0.000 2.753 245 N HA -0.130 4.610 4.740 -0.001 0.000 0.251 245 N C -0.176 175.339 175.510 0.008 0.000 1.097 245 N CA 0.989 54.064 53.050 0.042 0.000 0.786 245 N CB -1.754 36.750 38.487 0.028 0.000 1.137 245 N HN 0.729 nan 8.380 nan 0.000 0.566 246 V N -0.963 118.954 119.914 0.006 0.000 2.581 246 V HA 0.646 4.766 4.120 -0.001 0.000 0.303 246 V C 0.660 176.679 176.094 -0.125 0.000 1.041 246 V CA -0.519 61.691 62.300 -0.149 0.000 0.907 246 V CB 2.026 33.580 31.823 -0.449 0.000 0.994 246 V HN 0.177 nan 8.190 nan 0.000 0.442 247 S N 3.733 119.339 115.700 -0.157 0.000 2.573 247 S HA 0.450 4.919 4.470 -0.001 0.000 0.277 247 S C -0.029 174.529 174.600 -0.069 0.000 1.346 247 S CA -0.220 57.916 58.200 -0.107 0.000 1.034 247 S CB 1.193 64.304 63.200 -0.149 0.000 0.879 247 S HN 0.804 nan 8.310 nan 0.000 0.528 251 D N -0.106 120.394 120.400 0.166 0.000 3.000 251 D HA 0.055 4.695 4.640 -0.001 0.000 0.190 251 D C 1.335 177.805 176.300 0.282 0.000 1.503 251 D CA 0.820 54.955 54.000 0.225 0.000 1.496 251 D CB 0.175 41.125 40.800 0.250 0.000 1.163 251 D HN 0.467 nan 8.370 nan 0.000 0.231 252 E N 0.859 121.168 120.200 0.181 0.000 2.267 252 E HA -0.078 4.272 4.350 -0.001 0.000 0.197 252 E C 1.900 178.691 176.600 0.319 0.000 0.998 252 E CA 0.708 57.208 56.400 0.167 0.000 0.830 252 E CB -0.372 29.180 29.700 -0.246 0.000 0.751 252 E HN 0.085 nan 8.360 nan 0.000 0.491 253 S N 0.287 116.107 115.700 0.200 0.000 2.481 253 S HA 0.012 4.482 4.470 -0.001 0.000 0.231 253 S C 0.812 175.547 174.600 0.225 0.000 0.996 253 S CA 0.346 58.642 58.200 0.159 0.000 0.942 253 S CB 0.281 63.543 63.200 0.103 0.000 0.768 253 S HN 0.027 nan 8.310 nan 0.000 0.520 254 V N 1.378 121.491 119.914 0.332 0.000 2.357 254 V HA 0.277 4.396 4.120 -0.001 0.000 0.281 254 V C -0.527 175.884 176.094 0.529 0.000 1.015 254 V CA -0.623 61.885 62.300 0.346 0.000 0.827 254 V CB 0.994 32.965 31.823 0.246 0.000 1.018 254 V HN 0.458 nan 8.190 nan 0.000 0.432 255 W N 1.980 123.377 121.300 0.162 0.000 3.033 255 W HA 0.195 4.856 4.660 0.002 0.000 0.250 255 W C 1.511 178.160 176.519 0.216 0.000 1.105 255 W CA 0.799 58.246 57.345 0.169 0.000 1.655 255 W CB -0.251 29.257 29.460 0.080 0.000 1.001 255 W HN 0.552 nan 8.180 nan 0.000 0.653 256 T N -2.640 112.117 114.554 0.337 0.000 2.936 256 T HA 0.356 4.705 4.350 -0.001 0.000 0.282 256 T C -1.931 172.812 174.700 0.073 0.000 1.003 256 T CA -1.865 60.333 62.100 0.165 0.000 1.005 256 T CB 2.245 71.175 68.868 0.103 0.000 1.097 256 T HN -0.361 nan 8.240 nan 0.000 0.532 257 P HA 0.012 nan 4.420 nan 0.000 0.217 257 P C 1.617 178.925 177.300 0.013 0.000 1.150 257 P CA 1.411 64.509 63.100 -0.004 0.000 0.832 257 P CB -0.262 31.436 31.700 -0.003 0.000 0.787 258 A N -0.163 122.669 122.820 0.021 0.000 1.972 258 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 258 A C 2.055 179.653 177.584 0.023 0.000 1.169 258 A CA 1.565 53.612 52.037 0.017 0.000 0.635 258 A CB -1.056 17.951 19.000 0.011 0.000 0.810 258 A HN 0.201 nan 8.150 nan 0.000 0.446 259 E N -0.401 119.823 120.200 0.040 0.000 2.216 259 E HA 0.023 4.373 4.350 -0.001 0.000 0.192 259 E C 2.210 178.845 176.600 0.059 0.000 0.988 259 E CA 0.637 57.069 56.400 0.052 0.000 0.834 259 E CB -0.184 29.567 29.700 0.086 0.000 0.772 259 E HN 0.625 nan 8.360 nan 0.000 0.479 260 A N 1.397 124.247 122.820 0.050 0.000 1.929 260 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 260 A C 2.123 179.724 177.584 0.028 0.000 1.176 260 A CA 0.642 52.702 52.037 0.038 0.000 0.628 260 A CB -0.474 18.529 19.000 0.006 0.000 0.816 260 A HN 0.218 nan 8.150 nan 0.000 0.444 261 L N -0.599 120.636 121.223 0.021 0.000 2.046 261 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 261 L C 2.888 179.769 176.870 0.018 0.000 1.077 261 L CA 1.612 56.461 54.840 0.016 0.000 0.747 261 L CB -0.554 41.513 42.059 0.012 0.000 0.896 261 L HN 0.441 nan 8.230 nan 0.000 0.432 262 A N -0.889 121.943 122.820 0.020 0.000 1.933 262 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 262 A C 2.206 179.805 177.584 0.024 0.000 1.175 262 A CA 1.734 53.782 52.037 0.019 0.000 0.628 262 A CB -0.755 18.255 19.000 0.017 0.000 0.814 262 A HN 0.320 nan 8.150 nan 0.000 0.444 263 V N -0.567 119.367 119.914 0.032 0.000 2.358 263 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 263 V C 2.578 178.689 176.094 0.028 0.000 1.047 263 V CA 1.849 64.171 62.300 0.036 0.000 1.035 263 V CB -0.458 31.395 31.823 0.050 0.000 0.658 263 V HN 0.379 nan 8.190 nan 0.000 0.452 264 V N -0.242 119.686 119.914 0.024 0.000 2.295 264 V HA -0.282 3.838 4.120 -0.001 0.000 0.246 264 V C 2.430 178.534 176.094 0.016 0.000 1.049 264 V CA 2.055 64.366 62.300 0.018 0.000 1.024 264 V CB -0.644 31.188 31.823 0.015 0.000 0.648 264 V HN 0.533 nan 8.190 nan 0.000 0.447 265 K N 0.114 120.523 120.400 0.015 0.000 2.147 265 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 265 K C 1.939 178.547 176.600 0.013 0.000 1.049 265 K CA 1.470 57.764 56.287 0.013 0.000 0.936 265 K CB -0.270 32.236 32.500 0.011 0.000 0.722 265 K HN 0.483 nan 8.250 nan 0.000 0.446 266 A N 0.686 123.516 122.820 0.016 0.000 2.275 266 A HA -0.021 4.298 4.320 -0.001 0.000 0.212 266 A C 0.081 177.677 177.584 0.019 0.000 1.201 266 A CA -0.004 52.044 52.037 0.017 0.000 0.843 266 A CB -0.070 18.942 19.000 0.020 0.000 0.873 266 A HN 0.342 nan 8.150 nan 0.000 0.492 267 Q N -1.981 117.830 119.800 0.019 0.000 2.434 267 Q HA -0.284 4.056 4.340 -0.001 0.000 0.299 267 Q C 0.991 177.005 176.000 0.024 0.000 1.286 267 Q CA 0.279 56.093 55.803 0.018 0.000 0.872 267 Q CB -1.992 26.755 28.738 0.015 0.000 1.193 267 Q HN 0.818 nan 8.270 nan 0.000 0.466 268 A N -0.584 122.253 122.820 0.029 0.000 2.169 268 A HA 0.491 4.811 4.320 -0.001 0.000 0.212 268 A C 0.800 178.409 177.584 0.042 0.000 1.153 268 A CA 1.085 53.145 52.037 0.037 0.000 0.756 268 A CB 0.497 19.521 19.000 0.040 0.000 0.813 268 A HN 0.813 nan 8.150 nan 0.000 0.471 269 A N -1.250 121.589 122.820 0.032 0.000 2.594 269 A HA 0.519 4.839 4.320 -0.001 0.000 0.296 269 A C -0.657 176.928 177.584 0.002 0.000 1.056 269 A CA -0.306 51.746 52.037 0.026 0.000 0.693 269 A CB 0.296 19.320 19.000 0.040 0.000 1.278 269 A HN -0.051 nan 8.150 nan 0.000 0.408 270 D N -0.164 120.221 120.400 -0.025 0.000 2.289 270 D HA 0.202 4.841 4.640 -0.001 0.000 0.207 270 D C 0.445 176.697 176.300 -0.080 0.000 0.966 270 D CA 1.549 55.514 54.000 -0.058 0.000 0.868 270 D CB 0.400 41.142 40.800 -0.096 0.000 0.943 270 D HN 0.337 nan 8.370 nan 0.000 0.514 271 V N 0.917 120.789 119.914 -0.071 0.000 2.841 271 V HA 0.412 4.532 4.120 -0.001 0.000 0.310 271 V C -0.291 175.823 176.094 0.032 0.000 1.090 271 V CA -0.878 61.388 62.300 -0.056 0.000 0.930 271 V CB 3.004 34.727 31.823 -0.167 0.000 1.014 271 V HN -0.163 nan 8.190 nan 0.000 0.425 272 I N 2.453 123.073 120.570 0.082 0.000 2.433 272 I HA 0.628 4.798 4.170 -0.001 0.000 0.292 272 I C 0.460 176.685 176.117 0.180 0.000 1.001 272 I CA -0.762 60.611 61.300 0.122 0.000 1.119 272 I CB 2.001 40.066 38.000 0.109 0.000 1.289 272 I HN 0.759 nan 8.210 nan 0.000 0.438 273 A N 7.454 130.387 122.820 0.188 0.000 2.671 273 A HA 0.307 4.627 4.320 -0.001 0.000 0.306 273 A C -0.426 177.261 177.584 0.172 0.000 1.473 273 A CA -0.254 51.905 52.037 0.204 0.000 1.155 273 A CB -0.179 18.930 19.000 0.182 0.000 1.123 273 A HN 0.509 nan 8.150 nan 0.000 0.545 274 L N 3.101 124.432 121.223 0.180 0.000 2.278 274 L HA 0.432 4.772 4.340 -0.001 0.000 0.287 274 L C -0.291 176.563 176.870 -0.025 0.000 1.072 274 L CA 0.311 55.293 54.840 0.237 0.000 0.819 274 L CB 0.056 42.208 42.059 0.156 0.000 1.176 274 L HN 0.562 nan 8.230 nan 0.000 0.435 275 K N 3.391 123.623 120.400 -0.279 0.000 2.502 275 K HA 0.264 4.583 4.320 -0.001 0.000 0.254 275 K C 1.057 177.341 176.600 -0.527 0.000 0.947 275 K CA 0.044 56.061 56.287 -0.449 0.000 0.834 275 K CB 1.650 33.830 32.500 -0.533 0.000 1.112 275 K HN 0.704 nan 8.250 nan 0.000 0.427 276 T N -1.821 112.490 114.554 -0.405 0.000 2.803 276 T HA -0.222 4.127 4.350 -0.001 0.000 0.269 276 T C 1.874 176.371 174.700 -0.338 0.000 1.052 276 T CA 2.103 63.984 62.100 -0.366 0.000 1.136 276 T CB -0.486 68.181 68.868 -0.334 0.000 0.864 276 T HN 0.645 nan 8.240 nan 0.000 0.467 277 T N 0.625 114.954 114.554 -0.376 0.000 2.668 277 T HA -0.020 4.330 4.350 -0.001 0.000 0.262 277 T C 1.937 176.172 174.700 -0.775 0.000 1.045 277 T CA 1.260 63.136 62.100 -0.373 0.000 1.152 277 T CB -0.482 68.257 68.868 -0.215 0.000 0.864 277 T HN 0.475 nan 8.240 nan 0.000 0.419 278 K N 0.425 120.141 120.400 -1.141 0.000 2.113 278 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 278 K C 2.216 178.205 176.600 -1.018 0.000 1.047 278 K CA 1.579 56.823 56.287 -1.737 0.000 0.928 278 K CB -0.257 31.392 32.500 -1.419 0.000 0.716 278 K HN 0.513 nan 8.250 nan 0.000 0.446 279 H N -1.279 117.501 119.070 -0.483 0.000 2.555 279 H HA 0.102 4.657 4.556 -0.001 0.000 0.269 279 H C 1.138 176.363 175.328 -0.171 0.000 0.988 279 H CA 1.063 56.963 56.048 -0.247 0.000 1.178 279 H CB 0.603 30.238 29.762 -0.212 0.000 1.373 279 H HN 0.555 nan 8.280 nan 0.000 0.588 280 G N -0.250 108.466 108.800 -0.139 0.000 2.131 280 G HA2 0.007 3.967 3.960 -0.001 0.000 0.201 280 G HA3 0.007 3.967 3.960 -0.001 0.000 0.201 280 G C 0.560 175.444 174.900 -0.025 0.000 1.000 280 G CA 0.247 45.311 45.100 -0.060 0.000 0.680 280 G HN 0.917 nan 8.290 nan 0.000 0.514 281 G N -1.964 106.801 108.800 -0.059 0.000 2.381 281 G HA2 0.190 4.150 3.960 -0.001 0.000 0.672 281 G HA3 0.190 4.150 3.960 -0.001 0.000 0.672 281 G C 0.613 175.485 174.900 -0.047 0.000 1.324 281 G CA -0.140 44.949 45.100 -0.018 0.000 0.975 281 G HN 0.973 nan 8.290 nan 0.000 0.593 282 L N 0.295 121.499 121.223 -0.030 0.000 2.156 282 L HA 0.078 4.418 4.340 -0.001 0.000 0.208 282 L C 2.973 179.887 176.870 0.074 0.000 1.095 282 L CA 0.917 55.722 54.840 -0.058 0.000 0.770 282 L CB -0.448 41.446 42.059 -0.275 0.000 0.914 282 L HN 0.520 nan 8.230 nan 0.000 0.439 283 L N -0.723 120.583 121.223 0.138 0.000 2.027 283 L HA -0.151 4.188 4.340 -0.001 0.000 0.206 283 L C 2.727 179.653 176.870 0.093 0.000 1.074 283 L CA 1.030 55.962 54.840 0.152 0.000 0.745 283 L CB -0.561 41.600 42.059 0.169 0.000 0.898 283 L HN 0.238 nan 8.230 nan 0.000 0.433 284 E N 0.148 120.381 120.200 0.054 0.000 2.110 284 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 284 E C 2.371 178.945 176.600 -0.043 0.000 0.988 284 E CA 1.264 57.673 56.400 0.016 0.000 0.804 284 E CB -0.197 29.518 29.700 0.024 0.000 0.745 284 E HN 0.349 nan 8.360 nan 0.000 0.458 285 S N 0.923 116.575 115.700 -0.080 0.000 2.399 285 S HA -0.106 4.363 4.470 -0.001 0.000 0.231 285 S C 1.770 176.424 174.600 0.090 0.000 1.022 285 S CA 0.870 58.931 58.200 -0.231 0.000 0.983 285 S CB 0.025 62.791 63.200 -0.723 0.000 0.803 285 S HN 0.127 nan 8.310 nan 0.000 0.480 286 K N 1.578 122.145 120.400 0.277 0.000 2.097 286 K HA 0.022 4.342 4.320 -0.001 0.000 0.205 286 K C 1.957 178.627 176.600 0.117 0.000 1.050 286 K CA 1.055 57.509 56.287 0.277 0.000 0.938 286 K CB -0.273 32.336 32.500 0.181 0.000 0.718 286 K HN 0.376 nan 8.250 nan 0.000 0.442 287 K N 0.540 120.973 120.400 0.055 0.000 2.026 287 K HA -0.050 4.269 4.320 -0.001 0.000 0.208 287 K C 2.122 178.709 176.600 -0.021 0.000 1.048 287 K CA 0.924 57.219 56.287 0.013 0.000 0.929 287 K CB -0.133 32.367 32.500 0.002 0.000 0.713 287 K HN 0.002 nan 8.250 nan 0.000 0.439 288 I N 1.420 121.935 120.570 -0.093 0.000 2.163 288 I HA -0.260 3.910 4.170 -0.001 0.000 0.243 288 I C 2.521 178.610 176.117 -0.047 0.000 1.085 288 I CA 1.478 62.681 61.300 -0.163 0.000 1.347 288 I CB -1.380 36.320 38.000 -0.501 0.000 1.044 288 I HN 0.133 nan 8.210 nan 0.000 0.408 289 A N 0.767 123.609 122.820 0.037 0.000 1.933 289 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 289 A C 2.586 180.195 177.584 0.042 0.000 1.175 289 A CA 1.898 53.986 52.037 0.085 0.000 0.628 289 A CB -0.735 18.371 19.000 0.176 0.000 0.814 289 A HN 0.426 nan 8.150 nan 0.000 0.444 290 A N 0.068 122.907 122.820 0.032 0.000 1.877 290 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 290 A C 2.124 179.715 177.584 0.011 0.000 1.186 290 A CA 1.617 53.664 52.037 0.017 0.000 0.620 290 A CB -0.617 18.393 19.000 0.016 0.000 0.822 290 A HN 0.502 nan 8.150 nan 0.000 0.443 291 I N -0.386 120.189 120.570 0.007 0.000 2.252 291 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 291 I C 2.987 179.110 176.117 0.010 0.000 1.102 291 I CA 0.957 62.261 61.300 0.006 0.000 1.385 291 I CB -0.391 37.609 38.000 0.000 0.000 1.064 291 I HN 0.360 nan 8.210 nan 0.000 0.414 292 A N 0.539 123.367 122.820 0.013 0.000 1.865 292 A HA -0.294 4.026 4.320 -0.001 0.000 0.217 292 A C 2.330 179.925 177.584 0.019 0.000 1.191 292 A CA 2.099 54.148 52.037 0.020 0.000 0.623 292 A CB -0.815 18.204 19.000 0.032 0.000 0.826 292 A HN 0.498 nan 8.150 nan 0.000 0.444 293 E N -0.146 120.066 120.200 0.020 0.000 2.097 293 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 293 E C 2.081 178.687 176.600 0.010 0.000 1.000 293 E CA 1.301 57.711 56.400 0.016 0.000 0.804 293 E CB -0.289 29.419 29.700 0.013 0.000 0.740 293 E HN 0.534 nan 8.360 nan 0.000 0.454 294 A N 0.440 123.265 122.820 0.009 0.000 1.972 294 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 294 A C 2.271 179.859 177.584 0.007 0.000 1.169 294 A CA 1.504 53.545 52.037 0.007 0.000 0.635 294 A CB -0.691 18.313 19.000 0.006 0.000 0.810 294 A HN 0.416 nan 8.150 nan 0.000 0.446 295 G N -2.166 106.639 108.800 0.008 0.000 2.985 295 G HA2 0.370 4.330 3.960 -0.001 0.000 0.209 295 G HA3 0.370 4.330 3.960 -0.001 0.000 0.209 295 G C 1.126 176.030 174.900 0.006 0.000 1.165 295 G CA 0.492 45.596 45.100 0.008 0.000 0.776 295 G HN 1.600 nan 8.290 nan 0.000 0.541 296 G N -0.357 108.446 108.800 0.006 0.000 2.162 296 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.260 296 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.260 296 G C 0.379 175.279 174.900 0.001 0.000 0.976 296 G CA 0.260 45.362 45.100 0.004 0.000 0.655 296 G HN 0.467 nan 8.290 nan 0.000 0.533 297 L N 0.630 121.857 121.223 0.006 0.000 2.349 297 L HA 0.651 4.991 4.340 -0.001 0.000 0.275 297 L C 1.082 177.960 176.870 0.013 0.000 1.115 297 L CA -0.223 54.619 54.840 0.004 0.000 0.820 297 L CB 1.236 43.303 42.059 0.013 0.000 1.135 297 L HN 0.298 nan 8.230 nan 0.000 0.445 298 A N 2.457 125.276 122.820 -0.003 0.000 2.322 298 A HA 0.436 4.755 4.320 -0.001 0.000 0.269 298 A C -0.458 177.173 177.584 0.078 0.000 1.094 298 A CA -0.297 51.756 52.037 0.028 0.000 0.807 298 A CB 0.561 19.545 19.000 -0.027 0.000 1.047 298 A HN 0.797 nan 8.150 nan 0.000 0.487 299 C N 1.077 120.457 119.300 0.135 0.000 2.379 299 C HA 0.597 5.057 4.460 -0.001 0.000 0.323 299 C C -0.030 175.119 174.990 0.265 0.000 1.262 299 C CA -0.237 58.887 59.018 0.176 0.000 1.581 299 C CB 0.276 28.108 27.740 0.153 0.000 2.221 299 C HN 0.983 nan 8.230 nan 0.000 0.497 300 H N 0.677 119.854 119.070 0.179 0.000 2.476 300 H HA 0.502 5.058 4.556 -0.001 0.000 0.328 300 H C 0.565 175.959 175.328 0.109 0.000 1.073 300 H CA 0.165 56.325 56.048 0.187 0.000 1.229 300 H CB 1.092 31.003 29.762 0.249 0.000 1.432 300 H HN 0.821 nan 8.280 nan 0.000 0.477 301 G N 4.282 112.894 108.800 -0.312 0.000 2.690 301 G HA2 0.427 4.387 3.960 -0.001 0.000 0.294 301 G HA3 0.427 4.387 3.960 -0.001 0.000 0.294 301 G C 0.044 174.726 174.900 -0.362 0.000 0.793 301 G CA 0.143 45.107 45.100 -0.227 0.000 1.818 301 G HN 0.812 nan 8.290 nan 0.000 0.515 302 A N 2.331 125.041 122.820 -0.184 0.000 2.272 302 A HA 0.834 5.154 4.320 -0.001 0.000 0.275 302 A C 0.572 178.030 177.584 -0.210 0.000 1.096 302 A CA -0.244 51.726 52.037 -0.111 0.000 0.822 302 A CB 1.209 20.241 19.000 0.055 0.000 1.088 302 A HN 0.654 nan 8.150 nan 0.000 0.495 303 T N -0.988 113.425 114.554 -0.235 0.000 2.876 303 T HA 0.477 4.827 4.350 -0.001 0.000 0.289 303 T C 0.172 174.692 174.700 -0.299 0.000 1.014 303 T CA -0.251 61.658 62.100 -0.317 0.000 0.986 303 T CB 1.191 69.770 68.868 -0.482 0.000 1.021 303 T HN 0.422 nan 8.240 nan 0.000 0.458 304 S N 3.287 118.794 115.700 -0.321 0.000 2.583 304 S HA 0.264 4.733 4.470 -0.001 0.000 0.239 304 S C -0.126 174.305 174.600 -0.281 0.000 0.966 304 S CA -0.354 57.619 58.200 -0.377 0.000 0.973 304 S CB -0.511 62.465 63.200 -0.373 0.000 0.794 304 S HN 0.728 nan 8.310 nan 0.000 0.463 305 L N 1.573 122.648 121.223 -0.247 0.000 3.472 305 L HA -0.144 4.196 4.340 -0.001 0.000 0.485 305 L C -0.105 176.670 176.870 -0.158 0.000 1.312 305 L CA 0.336 55.064 54.840 -0.187 0.000 0.869 305 L CB -2.016 40.007 42.059 -0.061 0.000 1.687 305 L HN 0.244 nan 8.230 nan 0.000 0.853 306 E N -0.448 119.644 120.200 -0.180 0.000 2.392 306 E HA 0.555 4.905 4.350 -0.001 0.000 0.259 306 E C 1.115 177.671 176.600 -0.073 0.000 1.108 306 E CA 0.562 56.893 56.400 -0.116 0.000 0.916 306 E CB 0.378 30.002 29.700 -0.125 0.000 0.989 306 E HN 0.398 nan 8.360 nan 0.000 0.432 307 G N 1.057 109.860 108.800 0.005 0.000 2.494 307 G HA2 0.120 4.080 3.960 -0.001 0.000 0.270 307 G HA3 0.120 4.080 3.960 -0.001 0.000 0.270 307 G C -1.502 173.398 174.900 -0.001 0.000 1.423 307 G CA -0.642 44.493 45.100 0.059 0.000 1.055 307 G HN 0.434 nan 8.290 nan 0.000 0.536 308 P HA -0.083 nan 4.420 nan 0.000 0.216 308 P C 1.896 179.251 177.300 0.092 0.000 1.153 308 P CA 0.967 64.129 63.100 0.103 0.000 0.848 308 P CB 0.170 31.844 31.700 -0.043 0.000 0.787 309 I N 0.267 120.812 120.570 -0.040 0.000 2.179 309 I HA -0.123 4.046 4.170 -0.001 0.000 0.242 309 I C 2.721 178.872 176.117 0.056 0.000 1.088 309 I CA 1.995 63.316 61.300 0.034 0.000 1.357 309 I CB -2.118 35.930 38.000 0.081 0.000 1.051 309 I HN 0.031 nan 8.210 nan 0.000 0.409 310 G N 0.078 108.899 108.800 0.034 0.000 2.402 310 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.216 310 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.216 310 G C 1.679 176.547 174.900 -0.054 0.000 1.162 310 G CA 1.243 46.337 45.100 -0.010 0.000 0.777 310 G HN 0.318 nan 8.290 nan 0.000 0.539 311 T N 1.582 116.088 114.554 -0.080 0.000 2.777 311 T HA 0.066 4.416 4.350 -0.001 0.000 0.266 311 T C 2.829 177.476 174.700 -0.087 0.000 1.040 311 T CA 1.362 63.365 62.100 -0.162 0.000 1.141 311 T CB -0.322 68.346 68.868 -0.333 0.000 0.868 311 T HN 0.356 nan 8.240 nan 0.000 0.444 312 A N 1.594 124.448 122.820 0.057 0.000 1.908 312 A HA 0.098 4.418 4.320 -0.001 0.000 0.218 312 A C 2.656 180.275 177.584 0.057 0.000 1.181 312 A CA 1.913 54.037 52.037 0.144 0.000 0.627 312 A CB -1.167 17.950 19.000 0.196 0.000 0.818 312 A HN 0.503 nan 8.150 nan 0.000 0.445 313 A N -0.756 122.084 122.820 0.033 0.000 1.908 313 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 313 A C 2.436 180.023 177.584 0.005 0.000 1.181 313 A CA 2.181 54.226 52.037 0.014 0.000 0.627 313 A CB -0.878 18.124 19.000 0.002 0.000 0.818 313 A HN 0.449 nan 8.150 nan 0.000 0.445 314 S N -0.554 115.126 115.700 -0.032 0.000 2.428 314 S HA 0.044 4.513 4.470 -0.001 0.000 0.230 314 S C 1.720 176.337 174.600 0.030 0.000 1.014 314 S CA 0.918 59.099 58.200 -0.033 0.000 0.957 314 S CB -0.317 62.810 63.200 -0.120 0.000 0.784 314 S HN 0.501 nan 8.310 nan 0.000 0.499 315 L N 1.060 122.281 121.223 -0.003 0.000 2.109 315 L HA -0.063 4.277 4.340 -0.001 0.000 0.207 315 L C 2.652 179.533 176.870 0.019 0.000 1.086 315 L CA 0.809 55.645 54.840 -0.006 0.000 0.760 315 L CB -0.418 41.632 42.059 -0.015 0.000 0.910 315 L HN 0.258 nan 8.230 nan 0.000 0.437 316 Q N -0.576 119.244 119.800 0.033 0.000 2.124 316 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 316 Q C 2.108 178.118 176.000 0.018 0.000 0.977 316 Q CA 1.652 57.464 55.803 0.015 0.000 0.850 316 Q CB -0.404 28.342 28.738 0.013 0.000 0.901 316 Q HN 0.433 nan 8.270 nan 0.000 0.429 317 F N 1.332 121.233 119.950 -0.081 0.000 2.075 317 F HA -0.171 4.356 4.527 0.000 0.000 0.297 317 F C 2.233 177.993 175.800 -0.067 0.000 1.113 317 F CA 1.534 59.486 58.000 -0.081 0.000 1.218 317 F CB -0.236 38.714 39.000 -0.083 0.000 0.984 317 F HN 0.050 nan 8.300 nan 0.000 0.472 318 A N 0.250 123.116 122.820 0.076 0.000 1.972 318 A HA -0.072 4.247 4.320 -0.001 0.000 0.219 318 A C 2.293 179.814 177.584 -0.105 0.000 1.169 318 A CA 1.577 53.600 52.037 -0.022 0.000 0.635 318 A CB -1.471 17.539 19.000 0.017 0.000 0.810 318 A HN 0.518 nan 8.150 nan 0.000 0.446 319 A N -0.029 122.736 122.820 -0.092 0.000 2.014 319 A HA 0.025 4.344 4.320 -0.001 0.000 0.218 319 A C 2.166 179.672 177.584 -0.130 0.000 1.163 319 A CA 1.870 53.852 52.037 -0.092 0.000 0.652 319 A CB -0.505 18.456 19.000 -0.065 0.000 0.808 319 A HN 1.014 nan 8.150 nan 0.000 0.449 320 S N -1.837 113.744 115.700 -0.199 0.000 2.568 320 S HA 0.223 4.693 4.470 -0.001 0.000 0.232 320 S C 0.074 174.486 174.600 -0.314 0.000 0.975 320 S CA 0.096 58.162 58.200 -0.224 0.000 0.949 320 S CB -0.041 63.034 63.200 -0.209 0.000 0.829 320 S HN 0.170 nan 8.310 nan 0.000 0.479 321 T N 2.492 116.821 114.554 -0.375 0.000 2.934 321 T HA 0.372 4.721 4.350 -0.001 0.000 0.328 321 T C 0.548 175.128 174.700 -0.201 0.000 1.068 321 T CA -0.727 61.136 62.100 -0.395 0.000 1.018 321 T CB 1.535 69.934 68.868 -0.782 0.000 1.009 321 T HN -0.050 nan 8.240 nan 0.000 0.471 322 K N 2.682 123.002 120.400 -0.133 0.000 2.152 322 K HA -0.050 4.269 4.320 -0.001 0.000 0.206 322 K C 2.141 178.717 176.600 -0.040 0.000 1.048 322 K CA 1.175 57.419 56.287 -0.071 0.000 0.933 322 K CB -0.401 32.066 32.500 -0.055 0.000 0.721 322 K HN 0.674 nan 8.250 nan 0.000 0.447 323 A N 0.887 123.682 122.820 -0.043 0.000 2.125 323 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 323 A C 0.951 178.563 177.584 0.047 0.000 1.156 323 A CA 0.416 52.458 52.037 0.007 0.000 0.671 323 A CB -0.232 18.778 19.000 0.016 0.000 0.794 323 A HN 0.147 nan 8.150 nan 0.000 0.459 324 I N 1.999 122.589 120.570 0.033 0.000 2.357 324 I HA 0.024 4.193 4.170 -0.001 0.000 0.300 324 I C 0.989 177.146 176.117 0.067 0.000 1.159 324 I CA 0.638 61.984 61.300 0.077 0.000 1.339 324 I CB -0.293 37.740 38.000 0.056 0.000 1.458 324 I HN 0.358 nan 8.210 nan 0.000 0.577 325 S N 4.576 120.345 115.700 0.114 0.000 2.629 325 S HA 0.084 4.554 4.470 -0.001 0.000 0.236 325 S C 0.376 175.109 174.600 0.220 0.000 1.010 325 S CA -0.214 58.060 58.200 0.123 0.000 0.981 325 S CB -0.015 63.244 63.200 0.098 0.000 0.919 325 S HN 0.527 nan 8.310 nan 0.000 0.514 326 Y N 2.416 122.773 120.300 0.096 0.000 2.577 326 Y HA 0.491 5.040 4.550 -0.001 0.000 0.307 326 Y C 0.785 176.830 175.900 0.241 0.000 0.940 326 Y CA -0.206 57.979 58.100 0.143 0.000 1.132 326 Y CB 0.102 38.651 38.460 0.149 0.000 1.184 326 Y HN 0.466 nan 8.280 nan 0.000 0.611 327 G N 1.270 110.086 108.800 0.028 0.000 2.645 327 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.246 327 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.246 327 G C -0.121 174.652 174.900 -0.213 0.000 1.322 327 G CA 0.136 45.197 45.100 -0.066 0.000 0.898 327 G HN 1.122 nan 8.290 nan 0.000 0.573 328 T N -3.468 110.910 114.554 -0.294 0.000 2.754 328 T HA 0.727 5.077 4.350 -0.001 0.000 0.296 328 T C -0.063 174.479 174.700 -0.263 0.000 1.205 328 T CA 0.493 62.251 62.100 -0.569 0.000 1.009 328 T CB 1.910 70.608 68.868 -0.283 0.000 1.368 328 T HN 1.780 nan 8.240 nan 0.000 0.509 329 E N 0.656 120.720 120.200 -0.227 0.000 3.428 329 E HA 0.319 4.668 4.350 -0.001 0.000 0.191 329 E C -0.443 175.922 176.600 -0.393 0.000 0.980 329 E CA -0.547 55.827 56.400 -0.043 0.000 1.305 329 E CB -0.081 29.688 29.700 0.114 0.000 1.105 329 E HN 0.498 nan 8.360 nan 0.000 0.455 330 L N 2.459 123.525 121.223 -0.262 0.000 2.391 330 L HA 0.249 4.589 4.340 -0.001 0.000 0.249 330 L C -0.125 176.667 176.870 -0.131 0.000 1.308 330 L CA -0.441 54.214 54.840 -0.307 0.000 1.209 330 L CB -0.620 41.303 42.059 -0.226 0.000 1.401 330 L HN 0.414 nan 8.230 nan 0.000 0.416 331 F N -2.062 117.875 119.950 -0.021 0.000 2.682 331 F HA 0.425 4.952 4.527 -0.001 0.000 0.308 331 F C 1.708 177.435 175.800 -0.122 0.000 1.093 331 F CA -0.710 57.271 58.000 -0.031 0.000 1.244 331 F CB -1.005 38.035 39.000 0.068 0.000 1.052 331 F HN 0.165 nan 8.300 nan 0.000 0.573 332 G N 2.598 111.283 108.800 -0.193 0.000 2.732 332 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.222 332 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.222 332 G C -0.492 174.401 174.900 -0.012 0.000 1.203 332 G CA 1.643 46.675 45.100 -0.113 0.000 0.780 332 G HN 0.305 nan 8.290 nan 0.000 0.621 333 P HA -0.146 nan 4.420 nan 0.000 0.218 333 P C 1.825 179.144 177.300 0.032 0.000 1.152 333 P CA 1.599 64.710 63.100 0.017 0.000 0.857 333 P CB -0.128 31.585 31.700 0.021 0.000 0.787 334 Q N -1.767 118.005 119.800 -0.048 0.000 2.436 334 Q HA -0.050 4.290 4.340 -0.001 0.000 0.209 334 Q C 1.555 177.584 176.000 0.049 0.000 0.965 334 Q CA 0.568 56.311 55.803 -0.100 0.000 0.910 334 Q CB -0.374 28.134 28.738 -0.383 0.000 0.980 334 Q HN 0.248 nan 8.270 nan 0.000 0.491 335 L N -0.069 121.203 121.223 0.081 0.000 2.375 335 L HA 0.080 4.419 4.340 -0.001 0.000 0.215 335 L C 0.567 177.444 176.870 0.012 0.000 1.108 335 L CA 0.777 55.642 54.840 0.042 0.000 0.830 335 L CB 0.160 42.196 42.059 -0.039 0.000 0.959 335 L HN 0.088 nan 8.230 nan 0.000 0.457 336 L N -0.581 120.654 121.223 0.019 0.000 2.395 336 L HA 0.120 4.459 4.340 -0.001 0.000 0.269 336 L C 1.420 178.309 176.870 0.032 0.000 1.133 336 L CA -0.053 54.793 54.840 0.010 0.000 0.812 336 L CB 0.615 42.681 42.059 0.012 0.000 1.125 336 L HN -0.042 nan 8.230 nan 0.000 0.452 337 K N 0.261 120.678 120.400 0.029 0.000 2.305 337 K HA -0.012 4.307 4.320 -0.001 0.000 0.199 337 K C -0.160 176.491 176.600 0.086 0.000 1.047 337 K CA 0.684 57.006 56.287 0.060 0.000 0.976 337 K CB 0.365 32.906 32.500 0.067 0.000 0.765 337 K HN 0.669 nan 8.250 nan 0.000 0.474 338 D N -1.610 118.833 120.400 0.071 0.000 2.609 338 D HA 0.185 4.825 4.640 -0.001 0.000 0.239 338 D C -1.243 175.112 176.300 0.091 0.000 1.229 338 D CA -0.480 53.594 54.000 0.123 0.000 0.808 338 D CB 2.122 43.075 40.800 0.255 0.000 1.448 338 D HN -0.048 nan 8.370 nan 0.000 0.433 339 T N -0.233 114.415 114.554 0.157 0.000 2.768 339 T HA 0.622 4.972 4.350 -0.001 0.000 0.268 339 T C -1.053 173.839 174.700 0.320 0.000 0.969 339 T CA -0.328 61.878 62.100 0.176 0.000 1.008 339 T CB 0.451 69.368 68.868 0.081 0.000 1.371 339 T HN 0.441 nan 8.240 nan 0.000 0.587 340 Y N 0.038 120.378 120.300 0.067 0.000 2.919 340 Y HA 0.649 5.199 4.550 -0.001 0.000 0.245 340 Y C -0.277 175.630 175.900 0.012 0.000 0.959 340 Y CA -0.733 57.412 58.100 0.075 0.000 1.118 340 Y CB -0.851 37.665 38.460 0.094 0.000 1.224 340 Y HN 0.330 nan 8.280 nan 0.000 0.658 341 I N -0.354 120.130 120.570 -0.144 0.000 4.310 341 I HA 0.292 4.461 4.170 -0.001 0.000 0.328 341 I C 1.158 177.199 176.117 -0.127 0.000 1.406 341 I CA -0.154 61.025 61.300 -0.202 0.000 1.174 341 I CB 0.667 38.483 38.000 -0.307 0.000 1.279 341 I HN 0.208 nan 8.210 nan 0.000 0.471 342 V N -1.039 118.838 119.914 -0.061 0.000 0.582 342 V HA -0.464 3.656 4.120 -0.001 0.000 0.092 342 V C 0.908 176.957 176.094 -0.076 0.000 1.874 342 V CA 2.101 64.371 62.300 -0.050 0.000 3.418 342 V CB -1.631 30.161 31.823 -0.051 0.000 0.707 342 V HN 0.484 nan 8.190 nan 0.000 0.732 343 Q N 1.310 121.030 119.800 -0.134 0.000 2.471 343 Q HA 0.562 4.902 4.340 -0.001 0.000 0.223 343 Q C -0.028 175.848 176.000 -0.208 0.000 1.045 343 Q CA 0.434 56.135 55.803 -0.169 0.000 0.956 343 Q CB 0.494 29.096 28.738 -0.227 0.000 1.249 343 Q HN 0.701 nan 8.270 nan 0.000 0.549 344 E N 0.385 120.476 120.200 -0.180 0.000 2.210 344 E HA 0.297 4.647 4.350 -0.001 0.000 0.266 344 E C -1.063 175.457 176.600 -0.133 0.000 0.883 344 E CA -0.528 55.810 56.400 -0.105 0.000 0.761 344 E CB 1.100 30.813 29.700 0.022 0.000 1.156 344 E HN 0.317 nan 8.360 nan 0.000 0.412 345 F N 1.617 121.597 119.950 0.049 0.000 2.506 345 F HA 0.039 4.565 4.527 -0.001 0.000 0.351 345 F C 1.012 176.811 175.800 -0.003 0.000 1.136 345 F CA 0.145 58.131 58.000 -0.024 0.000 1.298 345 F CB 0.505 39.482 39.000 -0.039 0.000 1.145 345 F HN 0.299 nan 8.300 nan 0.000 0.593 346 E N 2.765 123.004 120.200 0.065 0.000 2.028 346 E HA 0.158 4.507 4.350 -0.001 0.000 0.266 346 E C -1.572 175.019 176.600 -0.016 0.000 0.962 346 E CA -0.361 56.075 56.400 0.059 0.000 0.784 346 E CB 0.370 30.082 29.700 0.020 0.000 1.114 346 E HN 0.463 nan 8.360 nan 0.000 0.414 347 Y N 3.587 123.977 120.300 0.149 0.000 2.434 347 Y HA 0.218 4.767 4.550 -0.001 0.000 0.341 347 Y C 0.251 176.292 175.900 0.235 0.000 0.965 347 Y CA -0.531 57.645 58.100 0.127 0.000 1.205 347 Y CB 0.843 39.288 38.460 -0.025 0.000 1.121 347 Y HN 0.367 nan 8.280 nan 0.000 0.507 348 K N 0.663 121.223 120.400 0.267 0.000 2.556 348 K HA 0.402 4.722 4.320 -0.001 0.000 0.274 348 K C -1.095 175.586 176.600 0.135 0.000 0.966 348 K CA -1.007 55.406 56.287 0.209 0.000 0.865 348 K CB 1.744 34.322 32.500 0.129 0.000 1.444 348 K HN 0.360 nan 8.250 nan 0.000 0.433 349 D N 0.717 121.181 120.400 0.107 0.000 2.751 349 D HA -0.191 4.449 4.640 -0.001 0.000 0.233 349 D C 0.692 177.036 176.300 0.073 0.000 1.149 349 D CA 1.853 55.896 54.000 0.071 0.000 0.682 349 D CB -1.390 39.438 40.800 0.046 0.000 1.068 349 D HN 1.217 nan 8.370 nan 0.000 0.429 350 G N -0.145 108.719 108.800 0.107 0.000 2.225 350 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.267 350 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.267 350 G C 0.221 175.165 174.900 0.073 0.000 1.024 350 G CA 1.187 46.336 45.100 0.082 0.000 0.784 350 G HN 0.566 nan 8.290 nan 0.000 0.507 351 Q N -2.149 117.707 119.800 0.093 0.000 2.882 351 Q HA 0.807 5.146 4.340 -0.001 0.000 0.315 351 Q C -1.131 174.879 176.000 0.016 0.000 1.004 351 Q CA -0.928 54.903 55.803 0.047 0.000 0.777 351 Q CB 2.851 31.597 28.738 0.014 0.000 1.506 351 Q HN 0.588 nan 8.270 nan 0.000 0.489 352 V N -0.087 119.769 119.914 -0.096 0.000 2.851 352 V HA 0.753 4.872 4.120 -0.001 0.000 0.307 352 V C -1.599 174.390 176.094 -0.175 0.000 1.129 352 V CA -0.421 61.706 62.300 -0.290 0.000 0.932 352 V CB 1.793 33.248 31.823 -0.612 0.000 1.024 352 V HN 0.889 nan 8.190 nan 0.000 0.426 353 A N 6.219 128.954 122.820 -0.140 0.000 2.354 353 A HA 0.726 5.046 4.320 -0.001 0.000 0.269 353 A C -0.346 177.210 177.584 -0.046 0.000 1.109 353 A CA -0.335 51.660 52.037 -0.070 0.000 0.800 353 A CB 0.309 19.282 19.000 -0.044 0.000 1.045 353 A HN 0.798 nan 8.150 nan 0.000 0.489 354 I N 2.904 123.455 120.570 -0.033 0.000 2.533 354 I HA 0.188 4.358 4.170 -0.001 0.000 0.284 354 I C -1.919 174.198 176.117 0.000 0.000 1.109 354 I CA -1.653 59.641 61.300 -0.011 0.000 1.412 354 I CB 0.603 38.589 38.000 -0.023 0.000 1.396 354 I HN 0.372 nan 8.210 nan 0.000 0.543 355 P HA -0.002 nan 4.420 nan 0.000 0.258 355 P C -0.758 176.526 177.300 -0.027 0.000 1.214 355 P CA -0.050 63.043 63.100 -0.012 0.000 0.872 355 P CB 0.078 31.781 31.700 0.005 0.000 0.890 356 Q N 2.420 122.198 119.800 -0.037 0.000 2.373 356 Q HA 0.546 4.886 4.340 -0.001 0.000 0.255 356 Q C 0.986 176.963 176.000 -0.037 0.000 0.980 356 Q CA 0.559 56.342 55.803 -0.034 0.000 0.882 356 Q CB 1.038 29.756 28.738 -0.033 0.000 1.249 356 Q HN 0.692 nan 8.270 nan 0.000 0.438 357 G N 2.138 110.920 108.800 -0.029 0.000 2.357 357 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.643 357 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.643 357 G C -2.988 171.901 174.900 -0.018 0.000 1.358 357 G CA -1.033 44.051 45.100 -0.026 0.000 0.986 357 G HN 0.452 nan 8.290 nan 0.000 0.620 358 P HA 0.454 nan 4.420 nan 0.000 0.272 358 P C 1.303 178.609 177.300 0.010 0.000 1.230 358 P CA 1.608 64.706 63.100 -0.004 0.000 0.788 358 P CB 0.800 32.501 31.700 0.002 0.000 0.949 359 G N 1.354 110.164 108.800 0.017 0.000 2.596 359 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.295 359 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.295 359 G C 0.654 175.577 174.900 0.039 0.000 1.240 359 G CA 0.159 45.283 45.100 0.041 0.000 0.985 359 G HN 0.470 nan 8.290 nan 0.000 0.555 360 L N 2.622 123.879 121.223 0.056 0.000 2.456 360 L HA 0.223 4.562 4.340 -0.001 0.000 0.224 360 L C 2.814 179.699 176.870 0.026 0.000 1.148 360 L CA 2.490 57.360 54.840 0.051 0.000 0.825 360 L CB -1.398 40.704 42.059 0.072 0.000 0.937 360 L HN 2.276 nan 8.230 nan 0.000 0.450 361 G N -0.985 107.818 108.800 0.005 0.000 2.159 361 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.256 361 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.256 361 G C 0.243 175.101 174.900 -0.069 0.000 0.977 361 G CA 0.337 45.422 45.100 -0.026 0.000 0.652 361 G HN 0.253 nan 8.290 nan 0.000 0.531 362 V N 1.073 120.950 119.914 -0.061 0.000 2.733 362 V HA 0.550 4.670 4.120 -0.001 0.000 0.306 362 V C -1.454 174.594 176.094 -0.075 0.000 1.084 362 V CA -0.981 61.244 62.300 -0.124 0.000 0.905 362 V CB 1.960 33.670 31.823 -0.189 0.000 1.010 362 V HN 0.254 nan 8.190 nan 0.000 0.424 363 D N 4.496 124.843 120.400 -0.088 0.000 2.168 363 D HA 0.406 5.045 4.640 -0.001 0.000 0.246 363 D C -0.085 176.156 176.300 -0.098 0.000 1.050 363 D CA -0.179 53.789 54.000 -0.053 0.000 0.857 363 D CB 2.456 43.242 40.800 -0.024 0.000 1.169 363 D HN 0.544 nan 8.370 nan 0.000 0.453 364 V N -0.162 119.672 119.914 -0.134 0.000 2.637 364 V HA 0.199 4.319 4.120 -0.001 0.000 0.296 364 V C 0.313 176.372 176.094 -0.058 0.000 1.046 364 V CA -0.298 61.897 62.300 -0.175 0.000 1.066 364 V CB 1.525 33.070 31.823 -0.462 0.000 0.968 364 V HN 0.453 nan 8.190 nan 0.000 0.483 368 K N 1.363 121.857 120.400 0.156 0.000 2.155 368 K HA 0.053 4.372 4.320 -0.001 0.000 0.203 368 K C 2.013 178.802 176.600 0.314 0.000 1.052 368 K CA 0.774 57.232 56.287 0.284 0.000 0.948 368 K CB 0.461 33.192 32.500 0.384 0.000 0.728 368 K HN -0.020 nan 8.250 nan 0.000 0.448 369 V N 2.111 122.145 119.914 0.199 0.000 2.427 369 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 369 V C 1.693 177.834 176.094 0.078 0.000 1.051 369 V CA 1.734 64.081 62.300 0.079 0.000 1.048 369 V CB -0.607 31.250 31.823 0.058 0.000 0.666 369 V HN 0.387 nan 8.190 nan 0.000 0.456 370 N N -0.704 118.056 118.700 0.099 0.000 2.216 370 N HA -0.141 4.598 4.740 -0.001 0.000 0.183 370 N C 1.810 177.370 175.510 0.084 0.000 1.017 370 N CA 1.090 54.188 53.050 0.081 0.000 0.861 370 N CB -0.164 38.371 38.487 0.080 0.000 0.986 370 N HN 0.447 nan 8.380 nan 0.000 0.428 371 F N 0.775 120.657 119.950 -0.113 0.000 2.216 371 F HA -0.127 4.400 4.527 0.000 0.000 0.300 371 F C 0.915 176.496 175.800 -0.364 0.000 1.085 371 F CA 1.239 59.073 58.000 -0.276 0.000 1.326 371 F CB -0.174 38.566 39.000 -0.433 0.000 1.027 371 F HN 0.065 nan 8.300 nan 0.000 0.497 372 Y N -0.300 119.925 120.300 -0.124 0.000 2.457 372 Y HA 0.218 4.767 4.550 -0.001 0.000 0.263 372 Y C 0.944 176.744 175.900 -0.167 0.000 1.164 372 Y CA -0.245 57.709 58.100 -0.245 0.000 1.274 372 Y CB -0.855 37.491 38.460 -0.190 0.000 1.097 372 Y HN -0.293 nan 8.280 nan 0.000 0.523 373 T N 2.379 116.927 114.554 -0.010 0.000 2.888 373 T HA 0.090 4.440 4.350 -0.001 0.000 0.301 373 T C 0.669 175.356 174.700 -0.022 0.000 1.001 373 T CA -0.382 61.714 62.100 -0.007 0.000 1.147 373 T CB 0.615 69.487 68.868 0.007 0.000 0.931 373 T HN 0.276 nan 8.240 nan 0.000 0.541 374 R N 0.000 120.493 120.500 -0.011 0.000 2.786 374 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 374 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 374 R CB 0.000 30.291 30.300 -0.014 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535