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 2df7_1_P DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPGGXXAL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFMEV 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.101 176.117 -0.026 0.000 1.063 11 I CA 0.000 61.250 61.300 -0.083 0.000 1.566 11 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 12 V N 8.872 128.765 119.914 -0.035 0.000 2.452 12 V HA 0.069 4.189 4.120 -0.000 0.000 0.286 12 V C -1.521 174.634 176.094 0.102 0.000 0.995 12 V CA -0.298 62.021 62.300 0.032 0.000 1.116 12 V CB 0.010 31.874 31.823 0.069 0.000 0.954 12 V HN 0.764 nan 8.190 nan 0.000 0.473 13 P HA -0.220 nan 4.420 nan 0.000 0.216 13 P C 1.609 178.987 177.300 0.129 0.000 1.154 13 P CA 1.325 64.486 63.100 0.102 0.000 0.865 13 P CB 0.028 31.787 31.700 0.098 0.000 0.789 14 F N 0.484 120.459 119.950 0.042 0.000 2.095 14 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 14 F C 1.932 177.771 175.800 0.064 0.000 1.104 14 F CA 1.442 59.463 58.000 0.035 0.000 1.232 14 F CB -0.826 38.177 39.000 0.005 0.000 0.987 14 F HN -0.246 nan 8.300 nan 0.000 0.475 15 I N 0.623 121.178 120.570 -0.026 0.000 2.208 15 I HA -0.284 3.885 4.170 -0.000 0.000 0.245 15 I C 2.574 178.626 176.117 -0.108 0.000 1.097 15 I CA 1.464 62.739 61.300 -0.042 0.000 1.363 15 I CB -1.654 36.521 38.000 0.292 0.000 1.051 15 I HN 0.234 nan 8.210 nan 0.000 0.413 16 R N 0.488 120.980 120.500 -0.012 0.000 2.083 16 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 16 R C 2.592 178.794 176.300 -0.163 0.000 1.137 16 R CA 2.021 58.077 56.100 -0.073 0.000 0.951 16 R CB -0.220 30.112 30.300 0.053 0.000 0.851 16 R HN 0.246 nan 8.270 nan 0.000 0.434 17 S N 0.336 115.945 115.700 -0.151 0.000 2.368 17 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 17 S C 1.877 176.333 174.600 -0.241 0.000 1.030 17 S CA 1.188 59.294 58.200 -0.157 0.000 0.999 17 S CB -0.283 62.862 63.200 -0.092 0.000 0.844 17 S HN 0.347 nan 8.310 nan 0.000 0.459 18 L N 1.428 122.394 121.223 -0.429 0.000 2.017 18 L HA 0.057 4.396 4.340 -0.000 0.000 0.208 18 L C 1.952 178.710 176.870 -0.188 0.000 1.073 18 L CA 1.884 56.491 54.840 -0.389 0.000 0.745 18 L CB -0.546 41.158 42.059 -0.591 0.000 0.894 18 L HN 0.384 nan 8.230 nan 0.000 0.432 19 L N -1.475 119.636 121.223 -0.187 0.000 2.375 19 L HA 0.065 4.405 4.340 -0.000 0.000 0.215 19 L C 0.743 177.572 176.870 -0.069 0.000 1.108 19 L CA 0.331 55.114 54.840 -0.095 0.000 0.830 19 L CB -0.096 41.881 42.059 -0.136 0.000 0.959 19 L HN 0.241 nan 8.230 nan 0.000 0.457 20 M N -0.002 119.514 119.600 -0.141 0.000 2.952 20 M HA 0.242 4.721 4.480 -0.000 0.000 0.259 20 M C -1.867 174.395 176.300 -0.063 0.000 1.306 20 M CA -1.299 53.959 55.300 -0.071 0.000 0.626 20 M CB 1.180 33.690 32.600 -0.150 0.000 1.423 20 M HN -0.257 nan 8.290 nan 0.000 0.459 21 P HA -0.225 nan 4.420 nan 0.000 0.218 21 P C 1.281 178.549 177.300 -0.053 0.000 1.150 21 P CA 1.896 64.950 63.100 -0.076 0.000 0.841 21 P CB -0.456 31.184 31.700 -0.099 0.000 0.784 22 T N -3.496 111.037 114.554 -0.035 0.000 3.098 22 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 22 T C 1.534 176.225 174.700 -0.014 0.000 1.145 22 T CA 1.563 63.651 62.100 -0.021 0.000 1.092 22 T CB -1.531 67.331 68.868 -0.009 0.000 0.908 22 T HN 0.280 nan 8.240 nan 0.000 0.526 23 T N -1.735 112.808 114.554 -0.020 0.000 3.148 23 T HA 0.497 4.846 4.350 -0.000 0.000 0.253 23 T C 1.146 175.846 174.700 -0.000 0.000 1.134 23 T CA 0.197 62.291 62.100 -0.010 0.000 1.051 23 T CB -0.542 68.317 68.868 -0.014 0.000 0.959 23 T HN 1.108 nan 8.240 nan 0.000 0.525 24 G N 1.639 110.437 108.800 -0.004 0.000 2.423 24 G HA2 0.181 4.141 3.960 -0.000 0.000 0.684 24 G HA3 0.181 4.141 3.960 -0.000 0.000 0.684 24 G C -3.335 171.573 174.900 0.012 0.000 1.309 24 G CA -0.638 44.468 45.100 0.012 0.000 0.950 24 G HN 0.311 nan 8.290 nan 0.000 0.587 25 P HA 0.675 nan 4.420 nan 0.000 0.278 25 P C -0.315 177.044 177.300 0.099 0.000 1.266 25 P CA 0.431 63.568 63.100 0.061 0.000 0.807 25 P CB 1.963 33.712 31.700 0.081 0.000 1.094 26 A N 0.423 123.333 122.820 0.150 0.000 2.604 26 A HA 0.539 4.859 4.320 -0.000 0.000 0.295 26 A C -0.560 177.164 177.584 0.235 0.000 1.067 26 A CA -0.537 51.617 52.037 0.194 0.000 0.683 26 A CB 0.643 19.778 19.000 0.226 0.000 1.281 26 A HN 0.381 nan 8.150 nan 0.000 0.407 27 S N 0.839 116.662 115.700 0.206 0.000 2.565 27 S HA 0.407 4.877 4.470 -0.000 0.000 0.276 27 S C 0.356 174.912 174.600 -0.072 0.000 1.326 27 S CA -0.262 58.026 58.200 0.146 0.000 1.045 27 S CB 0.154 63.497 63.200 0.238 0.000 0.918 27 S HN 0.461 nan 8.310 nan 0.000 0.505 28 I N 5.128 125.541 120.570 -0.263 0.000 2.598 28 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 28 I C -1.441 174.326 176.117 -0.583 0.000 1.140 28 I CA -1.394 59.455 61.300 -0.751 0.000 1.420 28 I CB 0.412 38.077 38.000 -0.558 0.000 1.387 28 I HN 0.429 nan 8.210 nan 0.000 0.553 29 P HA 0.062 nan 4.420 nan 0.000 0.226 29 P C -0.923 176.221 177.300 -0.260 0.000 1.758 29 P CA -0.169 62.722 63.100 -0.348 0.000 0.896 29 P CB -0.342 31.191 31.700 -0.280 0.000 1.784 30 D N -0.888 119.367 120.400 -0.243 0.000 2.570 30 D HA 0.134 4.774 4.640 -0.000 0.000 0.266 30 D C 0.430 176.708 176.300 -0.037 0.000 1.182 30 D CA -0.364 53.560 54.000 -0.127 0.000 1.088 30 D CB -0.085 40.645 40.800 -0.116 0.000 1.186 30 D HN -0.226 nan 8.370 nan 0.000 0.618 31 D N -1.369 119.028 120.400 -0.006 0.000 2.363 31 D HA 0.071 4.711 4.640 -0.000 0.000 0.214 31 D C -0.080 176.237 176.300 0.029 0.000 1.093 31 D CA 0.272 54.279 54.000 0.011 0.000 0.837 31 D CB 0.151 40.958 40.800 0.012 0.000 0.948 31 D HN 0.253 nan 8.370 nan 0.000 0.507 32 T N 2.005 116.588 114.554 0.048 0.000 3.945 32 T HA 0.206 4.556 4.350 -0.000 0.000 0.306 32 T C 0.886 175.675 174.700 0.148 0.000 1.475 32 T CA -0.168 61.993 62.100 0.102 0.000 1.177 32 T CB -0.248 68.695 68.868 0.124 0.000 1.272 32 T HN 0.015 nan 8.240 nan 0.000 0.930 33 L N 3.093 124.386 121.223 0.116 0.000 2.462 33 L HA 0.350 4.690 4.340 -0.000 0.000 0.283 33 L C 0.664 177.725 176.870 0.318 0.000 1.166 33 L CA -0.059 54.887 54.840 0.177 0.000 0.964 33 L CB -0.169 41.886 42.059 -0.007 0.000 1.294 33 L HN 0.453 nan 8.230 nan 0.000 0.449 34 E N 2.464 122.877 120.200 0.355 0.000 2.227 34 E HA 0.331 4.681 4.350 -0.000 0.000 0.268 34 E C -0.774 175.923 176.600 0.161 0.000 0.907 34 E CA -0.870 55.641 56.400 0.186 0.000 0.786 34 E CB 1.663 31.234 29.700 -0.216 0.000 1.191 34 E HN 0.265 nan 8.360 nan 0.000 0.411 35 K N 3.758 124.014 120.400 -0.239 0.000 2.379 35 K HA 0.133 4.452 4.320 -0.000 0.000 0.284 35 K C -0.134 176.400 176.600 -0.110 0.000 1.044 35 K CA 0.007 56.033 56.287 -0.436 0.000 0.974 35 K CB 0.277 32.451 32.500 -0.544 0.000 0.962 35 K HN 0.534 nan 8.250 nan 0.000 0.474 36 H N -0.318 118.701 119.070 -0.085 0.000 2.947 36 H HA 0.470 5.026 4.556 -0.000 0.000 0.290 36 H C -1.139 174.227 175.328 0.063 0.000 1.430 36 H CA -0.777 55.290 56.048 0.031 0.000 1.189 36 H CB 1.853 31.723 29.762 0.180 0.000 1.875 36 H HN 0.453 nan 8.280 nan 0.000 0.568 37 T N 0.374 115.035 114.554 0.178 0.000 2.906 37 T HA 0.581 4.931 4.350 -0.000 0.000 0.295 37 T C -0.998 173.850 174.700 0.245 0.000 1.075 37 T CA -0.728 61.441 62.100 0.116 0.000 1.005 37 T CB 1.227 70.176 68.868 0.136 0.000 1.136 37 T HN 0.417 nan 8.240 nan 0.000 0.498 38 L N 3.548 124.879 121.223 0.181 0.000 2.329 38 L HA 0.770 5.110 4.340 -0.000 0.000 0.279 38 L C 0.066 177.022 176.870 0.143 0.000 1.014 38 L CA -1.022 53.934 54.840 0.193 0.000 0.814 38 L CB 1.436 43.602 42.059 0.178 0.000 1.257 38 L HN 0.435 nan 8.230 nan 0.000 0.424 39 R N 1.249 121.841 120.500 0.154 0.000 2.739 39 R HA 0.575 4.915 4.340 -0.000 0.000 0.271 39 R C -1.460 174.954 176.300 0.191 0.000 1.010 39 R CA -0.891 55.299 56.100 0.151 0.000 0.897 39 R CB 2.324 32.684 30.300 0.101 0.000 1.236 39 R HN 0.477 nan 8.270 nan 0.000 0.466 40 S N 1.171 116.964 115.700 0.155 0.000 2.473 40 S HA 0.465 4.935 4.470 -0.000 0.000 0.307 40 S C -0.853 173.850 174.600 0.171 0.000 1.094 40 S CA -0.678 57.597 58.200 0.126 0.000 1.070 40 S CB 1.807 65.048 63.200 0.068 0.000 1.019 40 S HN 0.228 nan 8.310 nan 0.000 0.480 41 E N 2.324 122.654 120.200 0.217 0.000 2.210 41 E HA 0.415 4.765 4.350 -0.000 0.000 0.266 41 E C -0.269 176.420 176.600 0.148 0.000 0.883 41 E CA -0.453 56.080 56.400 0.222 0.000 0.761 41 E CB 1.996 31.909 29.700 0.355 0.000 1.156 41 E HN 0.716 nan 8.360 nan 0.000 0.412 42 T N -0.849 113.768 114.554 0.105 0.000 2.902 42 T HA 0.621 4.970 4.350 -0.000 0.000 0.280 42 T C 0.214 174.965 174.700 0.085 0.000 0.992 42 T CA -0.685 61.456 62.100 0.069 0.000 1.015 42 T CB 1.174 70.062 68.868 0.034 0.000 1.044 42 T HN 0.103 nan 8.240 nan 0.000 0.520 43 S N 1.071 116.818 115.700 0.079 0.000 2.561 43 S HA 0.710 5.179 4.470 -0.000 0.000 0.303 43 S C -0.606 174.013 174.600 0.031 0.000 1.110 43 S CA -0.867 57.410 58.200 0.127 0.000 1.034 43 S CB 1.425 64.779 63.200 0.257 0.000 1.010 43 S HN 1.078 nan 8.310 nan 0.000 0.482 44 T N 1.284 115.713 114.554 -0.208 0.000 2.928 44 T HA 0.738 5.088 4.350 -0.000 0.000 0.296 44 T C -1.397 172.906 174.700 -0.660 0.000 1.000 44 T CA -0.544 61.404 62.100 -0.252 0.000 0.989 44 T CB 0.634 69.386 68.868 -0.193 0.000 1.005 44 T HN 0.422 nan 8.240 nan 0.000 0.442 45 Y N 1.034 121.340 120.300 0.009 0.000 2.534 45 Y HA 0.559 5.108 4.550 -0.000 0.000 0.345 45 Y C -0.304 175.576 175.900 -0.033 0.000 1.031 45 Y CA -1.233 56.861 58.100 -0.010 0.000 1.022 45 Y CB 2.402 40.853 38.460 -0.015 0.000 1.292 45 Y HN 0.579 nan 8.280 nan 0.000 0.459 46 N N 3.610 122.365 118.700 0.093 0.000 2.696 46 N HA 0.386 5.126 4.740 -0.000 0.000 0.246 46 N C -1.372 174.151 175.510 0.021 0.000 1.057 46 N CA -0.286 52.781 53.050 0.027 0.000 0.867 46 N CB 1.014 39.501 38.487 0.001 0.000 1.141 46 N HN 0.540 nan 8.380 nan 0.000 0.517 47 L N 0.847 122.049 121.223 -0.035 0.000 2.375 47 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 47 L C 0.693 177.539 176.870 -0.041 0.000 1.107 47 L CA -0.325 54.469 54.840 -0.076 0.000 0.806 47 L CB 0.703 42.548 42.059 -0.357 0.000 1.146 47 L HN 0.160 nan 8.230 nan 0.000 0.447 48 T N 1.428 116.010 114.554 0.048 0.000 2.795 48 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 48 T C 0.019 174.786 174.700 0.111 0.000 0.980 48 T CA -0.536 61.593 62.100 0.049 0.000 1.012 48 T CB 1.764 70.659 68.868 0.044 0.000 0.936 48 T HN 0.203 nan 8.240 nan 0.000 0.457 49 V N 3.529 123.479 119.914 0.060 0.000 2.555 49 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 49 V C 1.292 177.456 176.094 0.116 0.000 1.044 49 V CA -0.144 62.227 62.300 0.118 0.000 1.026 49 V CB 0.825 32.671 31.823 0.038 0.000 0.981 49 V HN 1.063 nan 8.190 nan 0.000 0.480 50 G N 3.153 112.042 108.800 0.148 0.000 2.553 50 G HA2 0.159 4.118 3.960 -0.000 0.000 0.278 50 G HA3 0.159 4.118 3.960 -0.000 0.000 0.278 50 G C 0.573 175.512 174.900 0.066 0.000 1.349 50 G CA 0.292 45.444 45.100 0.087 0.000 1.037 50 G HN 0.895 nan 8.290 nan 0.000 0.508 51 D N -2.169 118.254 120.400 0.038 0.000 2.348 51 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 51 D C 2.044 178.355 176.300 0.019 0.000 0.970 51 D CA 1.435 55.449 54.000 0.024 0.000 0.889 51 D CB -0.284 40.522 40.800 0.010 0.000 0.912 51 D HN 0.396 nan 8.370 nan 0.000 0.524 52 T N -4.292 110.273 114.554 0.020 0.000 3.081 52 T HA 0.300 4.650 4.350 -0.000 0.000 0.255 52 T C 1.910 176.625 174.700 0.024 0.000 1.113 52 T CA 0.265 62.367 62.100 0.002 0.000 1.082 52 T CB -0.226 68.626 68.868 -0.028 0.000 0.939 52 T HN 0.393 nan 8.240 nan 0.000 0.506 53 G N 0.384 109.229 108.800 0.075 0.000 2.148 53 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.254 53 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.254 53 G C 0.094 175.117 174.900 0.205 0.000 0.981 53 G CA 0.302 45.476 45.100 0.123 0.000 0.670 53 G HN 0.914 nan 8.290 nan 0.000 0.528 54 S N -0.913 114.869 115.700 0.136 0.000 2.542 54 S HA 0.912 5.382 4.470 -0.000 0.000 0.293 54 S C 0.285 174.769 174.600 -0.195 0.000 1.089 54 S CA 0.747 58.934 58.200 -0.021 0.000 0.961 54 S CB 1.842 64.992 63.200 -0.083 0.000 1.062 54 S HN 1.780 nan 8.310 nan 0.000 0.483 55 G N 1.100 109.389 108.800 -0.851 0.000 2.548 55 G HA2 0.611 4.571 3.960 -0.000 0.000 0.301 55 G HA3 0.611 4.571 3.960 -0.000 0.000 0.301 55 G C -2.378 172.213 174.900 -0.515 0.000 1.349 55 G CA -0.548 44.166 45.100 -0.642 0.000 0.792 55 G HN 0.877 nan 8.290 nan 0.000 0.481 56 L N -0.182 121.007 121.223 -0.056 0.000 2.505 56 L HA 0.746 5.086 4.340 -0.000 0.000 0.266 56 L C -1.332 175.601 176.870 0.105 0.000 0.954 56 L CA -0.522 54.312 54.840 -0.010 0.000 0.852 56 L CB 1.794 43.769 42.059 -0.140 0.000 1.282 56 L HN 0.517 nan 8.230 nan 0.000 0.403 57 I N 5.107 125.675 120.570 -0.002 0.000 2.377 57 I HA 0.517 4.687 4.170 -0.000 0.000 0.293 57 I C -0.673 175.188 176.117 -0.427 0.000 0.987 57 I CA -0.945 60.229 61.300 -0.209 0.000 1.185 57 I CB 1.939 39.713 38.000 -0.376 0.000 1.341 57 I HN 0.247 nan 8.210 nan 0.000 0.455 58 V N 6.900 126.510 119.914 -0.507 0.000 2.370 58 V HA 0.401 4.521 4.120 -0.000 0.000 0.283 58 V C -0.427 175.148 176.094 -0.865 0.000 1.023 58 V CA -0.421 61.523 62.300 -0.593 0.000 0.857 58 V CB 1.046 32.547 31.823 -0.536 0.000 0.985 58 V HN 0.402 nan 8.190 nan 0.000 0.443 59 F N 3.988 123.635 119.950 -0.504 0.000 2.450 59 F HA 0.588 5.115 4.527 -0.000 0.000 0.332 59 F C -0.058 175.385 175.800 -0.596 0.000 1.093 59 F CA -0.613 57.104 58.000 -0.472 0.000 1.003 59 F CB 1.828 40.719 39.000 -0.183 0.000 1.151 59 F HN 0.366 nan 8.300 nan 0.000 0.474 60 F N 3.485 123.606 119.950 0.285 0.000 2.334 60 F HA 0.305 4.832 4.527 -0.000 0.000 0.343 60 F C -1.800 174.146 175.800 0.243 0.000 1.136 60 F CA -1.865 56.278 58.000 0.238 0.000 1.237 60 F CB 0.196 39.344 39.000 0.246 0.000 1.525 60 F HN 0.291 nan 8.300 nan 0.000 0.528 61 P HA -0.206 nan 4.420 nan 0.000 0.218 61 P C 1.633 179.034 177.300 0.168 0.000 1.154 61 P CA 1.538 64.725 63.100 0.145 0.000 0.872 61 P CB 0.221 31.963 31.700 0.069 0.000 0.790 62 G N -2.509 106.413 108.800 0.204 0.000 3.284 62 G HA2 0.021 3.980 3.960 -0.000 0.000 0.236 62 G HA3 0.021 3.980 3.960 -0.000 0.000 0.236 62 G C -0.187 174.853 174.900 0.234 0.000 1.158 62 G CA -0.429 44.775 45.100 0.173 0.000 0.774 62 G HN 0.160 nan 8.290 nan 0.000 0.545 63 F N 3.150 123.236 119.950 0.227 0.000 2.590 63 F HA 0.239 4.765 4.527 -0.000 0.000 0.389 63 F C -1.472 174.470 175.800 0.237 0.000 1.049 63 F CA -2.384 55.748 58.000 0.220 0.000 1.199 63 F CB 0.981 40.117 39.000 0.226 0.000 1.058 63 F HN -0.033 nan 8.300 nan 0.000 0.556 64 P HA 0.312 nan 4.420 nan 0.000 0.231 64 P C -0.093 177.100 177.300 -0.178 0.000 1.811 64 P CA 0.376 63.371 63.100 -0.175 0.000 1.051 64 P CB 0.159 31.690 31.700 -0.282 0.000 1.951 65 G N 0.482 109.467 108.800 0.308 0.000 2.351 65 G HA2 0.000 3.960 3.960 -0.000 0.000 0.279 65 G HA3 0.000 3.960 3.960 -0.000 0.000 0.279 65 G C 0.323 175.522 174.900 0.498 0.000 1.297 65 G CA -0.372 44.908 45.100 0.300 0.000 0.886 65 G HN -0.046 nan 8.290 nan 0.000 0.493 66 S N -0.146 115.737 115.700 0.306 0.000 2.561 66 S HA 0.202 4.671 4.470 -0.000 0.000 0.225 66 S C 1.129 175.813 174.600 0.140 0.000 0.977 66 S CA 0.192 58.526 58.200 0.222 0.000 0.926 66 S CB -0.288 62.984 63.200 0.121 0.000 0.769 66 S HN 0.361 nan 8.310 nan 0.000 0.533 67 I N 1.932 122.439 120.570 -0.105 0.000 2.347 67 I HA 0.121 4.291 4.170 -0.000 0.000 0.294 67 I C 0.913 176.997 176.117 -0.055 0.000 1.090 67 I CA -0.113 60.969 61.300 -0.363 0.000 1.314 67 I CB 1.000 38.361 38.000 -1.066 0.000 1.423 67 I HN -0.015 nan 8.210 nan 0.000 0.503 68 V N 5.932 125.943 119.914 0.162 0.000 2.685 68 V HA 0.285 4.405 4.120 -0.000 0.000 0.244 68 V C 1.063 177.386 176.094 0.383 0.000 1.054 68 V CA 1.313 63.801 62.300 0.312 0.000 1.076 68 V CB 0.395 32.394 31.823 0.294 0.000 0.725 68 V HN 1.002 nan 8.190 nan 0.000 0.467 69 G N -1.361 107.577 108.800 0.231 0.000 2.348 69 G HA2 0.652 4.611 3.960 -0.000 0.000 0.296 69 G HA3 0.652 4.611 3.960 -0.000 0.000 0.296 69 G C -1.827 173.052 174.900 -0.035 0.000 1.258 69 G CA 0.132 45.221 45.100 -0.019 0.000 0.868 69 G HN 0.664 nan 8.290 nan 0.000 0.488 70 A N -0.566 122.137 122.820 -0.196 0.000 2.520 70 A HA 0.781 5.101 4.320 -0.000 0.000 0.298 70 A C -1.230 176.221 177.584 -0.222 0.000 1.051 70 A CA -0.403 51.563 52.037 -0.117 0.000 0.690 70 A CB 1.413 20.460 19.000 0.078 0.000 1.281 70 A HN 1.241 nan 8.150 nan 0.000 0.402 71 H N 1.208 120.009 119.070 -0.449 0.000 2.457 71 H HA 0.695 5.251 4.556 -0.000 0.000 0.335 71 H C -1.768 173.296 175.328 -0.439 0.000 1.115 71 H CA -0.368 55.476 56.048 -0.340 0.000 1.219 71 H CB 0.986 30.585 29.762 -0.272 0.000 1.471 71 H HN 0.618 nan 8.280 nan 0.000 0.491 72 Y N 1.575 121.706 120.300 -0.282 0.000 2.477 72 Y HA 0.193 4.743 4.550 -0.000 0.000 0.347 72 Y C 0.133 175.891 175.900 -0.236 0.000 0.981 72 Y CA -0.811 57.161 58.100 -0.214 0.000 1.033 72 Y CB 2.336 40.834 38.460 0.064 0.000 1.245 72 Y HN 0.609 nan 8.280 nan 0.000 0.455 73 T N 0.298 114.857 114.554 0.007 0.000 2.902 73 T HA 0.581 4.931 4.350 -0.000 0.000 0.283 73 T C -0.935 173.858 174.700 0.156 0.000 1.009 73 T CA -0.804 61.333 62.100 0.060 0.000 1.051 73 T CB 1.522 70.397 68.868 0.012 0.000 0.999 73 T HN 0.455 nan 8.240 nan 0.000 0.474 74 L N 2.390 123.637 121.223 0.039 0.000 2.290 74 L HA 0.384 4.723 4.340 -0.000 0.000 0.284 74 L C 0.139 176.930 176.870 -0.131 0.000 1.078 74 L CA 0.060 54.778 54.840 -0.203 0.000 0.815 74 L CB 0.765 42.645 42.059 -0.298 0.000 1.162 74 L HN 0.740 nan 8.230 nan 0.000 0.435 75 Q N 1.873 121.582 119.800 -0.152 0.000 2.212 75 Q HA 0.256 4.596 4.340 -0.000 0.000 0.238 75 Q C 1.244 177.183 176.000 -0.101 0.000 0.955 75 Q CA 0.155 55.904 55.803 -0.090 0.000 0.906 75 Q CB 1.377 30.078 28.738 -0.062 0.000 1.215 75 Q HN 0.863 nan 8.270 nan 0.000 0.478 76 S N 0.842 116.502 115.700 -0.066 0.000 2.402 76 S HA -0.210 4.260 4.470 -0.000 0.000 0.233 76 S C 1.199 175.756 174.600 -0.071 0.000 1.030 76 S CA 1.686 59.849 58.200 -0.062 0.000 1.003 76 S CB -0.385 62.790 63.200 -0.042 0.000 0.813 76 S HN 0.786 nan 8.310 nan 0.000 0.477 77 N N 1.720 120.376 118.700 -0.074 0.000 2.521 77 N HA 0.146 4.885 4.740 -0.000 0.000 0.188 77 N C 1.257 176.707 175.510 -0.101 0.000 1.146 77 N CA 0.886 53.891 53.050 -0.074 0.000 0.893 77 N CB -0.664 37.785 38.487 -0.063 0.000 0.975 77 N HN 0.665 nan 8.380 nan 0.000 0.451 78 G N -0.597 108.120 108.800 -0.138 0.000 2.175 78 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 78 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 78 G C -0.346 174.401 174.900 -0.255 0.000 0.982 78 G CA 0.014 45.002 45.100 -0.186 0.000 0.641 78 G HN 0.509 nan 8.290 nan 0.000 0.527 79 N N -0.248 118.325 118.700 -0.212 0.000 2.489 79 N HA 0.643 5.383 4.740 -0.000 0.000 0.284 79 N C -0.317 175.054 175.510 -0.232 0.000 1.158 79 N CA -0.397 52.535 53.050 -0.197 0.000 0.965 79 N CB 0.565 38.993 38.487 -0.099 0.000 1.195 79 N HN 0.239 nan 8.380 nan 0.000 0.506 80 Y N 0.063 120.306 120.300 -0.096 0.000 2.354 80 Y HA 0.337 4.887 4.550 -0.000 0.000 0.322 80 Y C 0.823 176.764 175.900 0.068 0.000 1.253 80 Y CA -0.073 58.017 58.100 -0.016 0.000 1.272 80 Y CB 1.227 39.651 38.460 -0.060 0.000 1.255 80 Y HN 0.160 nan 8.280 nan 0.000 0.500 81 K N 2.985 123.598 120.400 0.356 0.000 2.507 81 K HA 0.233 4.553 4.320 -0.000 0.000 0.251 81 K C -1.518 175.313 176.600 0.385 0.000 0.943 81 K CA -0.792 55.672 56.287 0.296 0.000 0.794 81 K CB 0.987 33.569 32.500 0.138 0.000 1.188 81 K HN 0.567 nan 8.250 nan 0.000 0.428 82 F N 3.884 123.987 119.950 0.255 0.000 2.578 82 F HA -0.020 4.507 4.527 -0.000 0.000 0.376 82 F C 0.890 176.601 175.800 -0.147 0.000 1.085 82 F CA 0.616 58.595 58.000 -0.036 0.000 1.260 82 F CB 0.753 39.747 39.000 -0.010 0.000 1.095 82 F HN 0.787 nan 8.300 nan 0.000 0.573 83 D N 2.455 122.204 120.400 -1.086 0.000 2.845 83 D HA 0.116 4.755 4.640 -0.000 0.000 0.272 83 D C -0.548 174.951 176.300 -1.334 0.000 1.275 83 D CA 1.005 54.483 54.000 -0.871 0.000 1.029 83 D CB 0.215 40.668 40.800 -0.579 0.000 1.131 83 D HN 0.696 nan 8.370 nan 0.000 0.423 84 Q N -1.187 117.770 119.800 -1.406 0.000 2.687 84 Q HA 0.349 4.689 4.340 -0.000 0.000 0.295 84 Q C -1.119 174.645 176.000 -0.393 0.000 0.920 84 Q CA -1.025 54.240 55.803 -0.898 0.000 0.766 84 Q CB 1.137 29.658 28.738 -0.363 0.000 1.467 84 Q HN -0.035 nan 8.270 nan 0.000 0.415 85 M N 1.305 120.893 119.600 -0.019 0.000 2.247 85 M HA 0.449 4.929 4.480 -0.000 0.000 0.326 85 M C -0.566 175.593 176.300 -0.235 0.000 1.134 85 M CA -0.307 54.995 55.300 0.003 0.000 1.136 85 M CB 0.304 32.951 32.600 0.077 0.000 1.454 85 M HN 0.620 nan 8.290 nan 0.000 0.467 86 L N 3.722 124.791 121.223 -0.258 0.000 2.319 86 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 86 L C -0.441 176.383 176.870 -0.077 0.000 1.005 86 L CA -0.330 54.207 54.840 -0.505 0.000 0.828 86 L CB 0.982 42.798 42.059 -0.405 0.000 1.227 86 L HN 0.591 nan 8.230 nan 0.000 0.415 87 L N 1.242 122.534 121.223 0.115 0.000 2.242 87 L HA 0.666 5.006 4.340 -0.000 0.000 0.261 87 L C 0.549 177.611 176.870 0.321 0.000 1.052 87 L CA -0.804 54.166 54.840 0.217 0.000 0.972 87 L CB 1.870 44.032 42.059 0.173 0.000 1.562 87 L HN 0.525 nan 8.230 nan 0.000 0.509 88 T N -2.856 111.845 114.554 0.244 0.000 2.912 88 T HA 0.466 4.816 4.350 -0.000 0.000 0.280 88 T C 0.968 175.768 174.700 0.166 0.000 0.989 88 T CA -0.094 62.141 62.100 0.225 0.000 0.995 88 T CB 1.641 70.654 68.868 0.241 0.000 1.077 88 T HN 0.619 nan 8.240 nan 0.000 0.531 89 A N 1.097 123.988 122.820 0.119 0.000 1.903 89 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 89 A C 1.172 178.802 177.584 0.077 0.000 1.191 89 A CA 1.277 53.355 52.037 0.068 0.000 0.638 89 A CB -0.813 18.218 19.000 0.052 0.000 0.823 89 A HN 0.899 nan 8.150 nan 0.000 0.451 90 Q N -1.944 117.913 119.800 0.095 0.000 2.359 90 Q HA 0.446 4.786 4.340 -0.000 0.000 0.275 90 Q C -0.994 175.059 176.000 0.089 0.000 1.082 90 Q CA -1.007 54.847 55.803 0.085 0.000 0.849 90 Q CB 0.817 29.608 28.738 0.088 0.000 1.377 90 Q HN 0.319 nan 8.270 nan 0.000 0.452 91 N N 0.845 119.589 118.700 0.074 0.000 2.439 91 N HA 0.122 4.862 4.740 -0.000 0.000 0.243 91 N C 0.294 175.846 175.510 0.069 0.000 1.088 91 N CA 0.068 53.158 53.050 0.066 0.000 0.940 91 N CB 0.332 38.850 38.487 0.052 0.000 1.180 91 N HN 0.662 nan 8.380 nan 0.000 0.505 92 L N 4.245 125.503 121.223 0.059 0.000 2.043 92 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 92 L C -0.660 176.280 176.870 0.116 0.000 1.075 92 L CA 1.291 56.180 54.840 0.082 0.000 0.752 92 L CB -1.198 40.794 42.059 -0.111 0.000 0.891 92 L HN 0.507 nan 8.230 nan 0.000 0.432 93 P HA -0.167 nan 4.420 nan 0.000 0.223 93 P C 1.135 178.443 177.300 0.012 0.000 1.144 93 P CA 1.468 64.584 63.100 0.026 0.000 0.783 93 P CB -0.008 31.700 31.700 0.013 0.000 0.771 94 A N -1.470 121.360 122.820 0.018 0.000 2.072 94 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 94 A C 2.037 179.585 177.584 -0.060 0.000 1.156 94 A CA 1.457 53.486 52.037 -0.013 0.000 0.701 94 A CB -0.527 18.472 19.000 -0.001 0.000 0.816 94 A HN 0.126 nan 8.150 nan 0.000 0.458 95 S N -2.452 113.199 115.700 -0.082 0.000 2.589 95 S HA 0.352 4.822 4.470 -0.000 0.000 0.235 95 S C -0.422 173.842 174.600 -0.559 0.000 1.051 95 S CA -0.223 57.780 58.200 -0.328 0.000 0.978 95 S CB 0.109 63.051 63.200 -0.430 0.000 0.929 95 S HN 0.507 nan 8.310 nan 0.000 0.523 96 Y N 0.863 121.144 120.300 -0.031 0.000 2.570 96 Y HA 0.518 5.068 4.550 -0.000 0.000 0.345 96 Y C 0.663 176.527 175.900 -0.060 0.000 1.014 96 Y CA -1.131 56.955 58.100 -0.024 0.000 1.063 96 Y CB 1.012 39.459 38.460 -0.020 0.000 1.272 96 Y HN -0.164 nan 8.280 nan 0.000 0.477 97 N N -0.255 118.509 118.700 0.107 0.000 2.407 97 N HA 0.101 4.841 4.740 -0.000 0.000 0.182 97 N C -1.197 174.105 175.510 -0.346 0.000 1.079 97 N CA 0.421 53.391 53.050 -0.134 0.000 0.882 97 N CB 0.525 38.928 38.487 -0.140 0.000 1.106 97 N HN 0.535 nan 8.380 nan 0.000 0.461 98 Y N -1.013 119.354 120.300 0.111 0.000 2.553 98 Y HA 0.545 5.095 4.550 -0.000 0.000 0.347 98 Y C -0.204 175.794 175.900 0.163 0.000 1.019 98 Y CA -1.159 57.018 58.100 0.128 0.000 1.032 98 Y CB 2.186 40.737 38.460 0.153 0.000 1.284 98 Y HN -0.113 nan 8.280 nan 0.000 0.466 99 C N 2.160 121.643 119.300 0.305 0.000 3.285 99 C HA 0.867 5.327 4.460 -0.000 0.000 0.325 99 C C -1.767 173.191 174.990 -0.052 0.000 1.304 99 C CA -0.726 58.356 59.018 0.107 0.000 1.319 99 C CB 1.974 29.668 27.740 -0.077 0.000 1.640 99 C HN 1.024 nan 8.230 nan 0.000 0.477 100 R N 2.159 122.599 120.500 -0.100 0.000 2.548 100 R HA 0.658 4.998 4.340 -0.000 0.000 0.280 100 R C -1.721 174.636 176.300 0.095 0.000 1.061 100 R CA -0.602 55.406 56.100 -0.153 0.000 0.915 100 R CB 1.729 31.680 30.300 -0.581 0.000 1.210 100 R HN 0.808 nan 8.270 nan 0.000 0.442 101 L N 4.654 125.960 121.223 0.139 0.000 2.319 101 L HA 0.259 4.599 4.340 -0.000 0.000 0.280 101 L C 0.025 176.928 176.870 0.056 0.000 1.099 101 L CA 0.358 55.254 54.840 0.094 0.000 0.828 101 L CB 1.610 43.725 42.059 0.093 0.000 1.150 101 L HN 0.633 nan 8.230 nan 0.000 0.442 102 V N 2.648 122.555 119.914 -0.012 0.000 2.581 102 V HA 0.267 4.387 4.120 -0.000 0.000 0.240 102 V C 0.601 176.762 176.094 0.112 0.000 1.054 102 V CA 1.146 63.513 62.300 0.111 0.000 1.076 102 V CB 0.065 31.950 31.823 0.103 0.000 0.748 102 V HN 0.947 nan 8.190 nan 0.000 0.474 103 S N -0.363 115.307 115.700 -0.050 0.000 2.595 103 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 103 S C -0.903 173.609 174.600 -0.148 0.000 1.145 103 S CA -0.906 57.250 58.200 -0.073 0.000 0.825 103 S CB 2.827 65.968 63.200 -0.098 0.000 1.107 103 S HN 0.492 nan 8.310 nan 0.000 0.461 104 R N 0.090 120.516 120.500 -0.123 0.000 2.634 104 R HA 0.694 5.034 4.340 -0.000 0.000 0.263 104 R C -1.917 174.292 176.300 -0.151 0.000 1.060 104 R CA 0.060 56.075 56.100 -0.142 0.000 0.898 104 R CB 1.564 31.788 30.300 -0.127 0.000 1.253 104 R HN 1.485 nan 8.270 nan 0.000 0.461 105 S N 3.283 118.878 115.700 -0.175 0.000 2.537 105 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 105 S C -1.479 172.973 174.600 -0.248 0.000 1.142 105 S CA -0.847 57.209 58.200 -0.240 0.000 0.870 105 S CB 1.650 64.684 63.200 -0.277 0.000 1.112 105 S HN 0.456 nan 8.310 nan 0.000 0.466 106 L N 1.776 122.803 121.223 -0.326 0.000 2.434 106 L HA 0.790 5.130 4.340 -0.000 0.000 0.260 106 L C -0.346 176.371 176.870 -0.254 0.000 0.983 106 L CA -0.614 54.046 54.840 -0.300 0.000 0.820 106 L CB 2.860 44.609 42.059 -0.518 0.000 1.361 106 L HN 1.009 nan 8.230 nan 0.000 0.410 107 T N -0.917 113.555 114.554 -0.136 0.000 2.885 107 T HA 0.825 5.175 4.350 -0.000 0.000 0.285 107 T C -0.743 173.958 174.700 0.001 0.000 1.019 107 T CA -0.821 61.231 62.100 -0.080 0.000 1.010 107 T CB 1.950 70.783 68.868 -0.059 0.000 1.022 107 T HN 0.214 nan 8.240 nan 0.000 0.466 108 V N 3.353 123.290 119.914 0.037 0.000 2.483 108 V HA 0.823 4.943 4.120 -0.000 0.000 0.297 108 V C -0.274 175.848 176.094 0.045 0.000 1.027 108 V CA -0.929 61.416 62.300 0.075 0.000 0.855 108 V CB 1.277 33.191 31.823 0.152 0.000 0.995 108 V HN 1.190 nan 8.190 nan 0.000 0.424 109 R N 2.301 122.811 120.500 0.016 0.000 2.692 109 R HA 0.702 5.042 4.340 -0.000 0.000 0.269 109 R C -0.791 175.492 176.300 -0.028 0.000 1.030 109 R CA -0.499 55.603 56.100 0.004 0.000 0.882 109 R CB 1.567 31.875 30.300 0.012 0.000 1.250 109 R HN 0.509 nan 8.270 nan 0.000 0.465 110 S N 0.019 115.698 115.700 -0.034 0.000 2.580 110 S HA 0.277 4.747 4.470 -0.000 0.000 0.274 110 S C 0.315 174.895 174.600 -0.033 0.000 1.329 110 S CA 0.093 58.260 58.200 -0.055 0.000 1.036 110 S CB 0.698 63.868 63.200 -0.050 0.000 0.919 110 S HN 0.839 nan 8.310 nan 0.000 0.515 111 S N 2.301 117.978 115.700 -0.038 0.000 2.819 111 S HA 0.362 4.832 4.470 -0.000 0.000 0.249 111 S C 0.115 174.701 174.600 -0.022 0.000 1.030 111 S CA -0.461 57.725 58.200 -0.024 0.000 1.052 111 S CB 0.258 63.445 63.200 -0.022 0.000 1.017 111 S HN 0.589 nan 8.310 nan 0.000 0.576 112 T N 1.550 116.087 114.554 -0.027 0.000 2.868 112 T HA 0.653 5.002 4.350 -0.000 0.000 0.306 112 T C -1.970 172.719 174.700 -0.019 0.000 1.224 112 T CA -0.585 61.502 62.100 -0.022 0.000 1.012 112 T CB 1.662 70.516 68.868 -0.024 0.000 1.221 112 T HN 0.276 nan 8.240 nan 0.000 0.499 113 L N 3.723 124.939 121.223 -0.012 0.000 2.504 113 L HA 0.408 4.748 4.340 -0.000 0.000 0.265 113 L C -2.119 174.747 176.870 -0.006 0.000 0.975 113 L CA -1.523 53.312 54.840 -0.008 0.000 0.864 113 L CB 2.152 44.208 42.059 -0.005 0.000 1.212 113 L HN 0.450 nan 8.230 nan 0.000 0.416 114 P HA 0.210 nan 4.420 nan 0.000 0.274 114 P C 0.894 178.193 177.300 -0.002 0.000 1.470 114 P CA 0.204 63.302 63.100 -0.004 0.000 1.001 114 P CB 1.378 33.076 31.700 -0.003 0.000 1.332 115 G N 4.070 112.869 108.800 -0.002 0.000 3.847 115 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.360 115 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.360 115 G C 0.483 175.382 174.900 -0.001 0.000 1.945 115 G CA 0.610 45.709 45.100 -0.001 0.000 2.104 115 G HN 0.895 nan 8.290 nan 0.000 0.891 120 L N 1.433 122.657 121.223 0.002 0.000 2.483 120 L HA 0.534 4.874 4.340 -0.000 0.000 0.277 120 L C 0.201 177.073 176.870 0.004 0.000 1.248 120 L CA 1.611 56.452 54.840 0.002 0.000 0.825 120 L CB 0.082 42.143 42.059 0.003 0.000 1.096 120 L HN 0.773 nan 8.230 nan 0.000 0.512 121 N N 0.451 119.154 118.700 0.005 0.000 3.322 121 N HA 0.668 5.408 4.740 -0.000 0.000 0.233 121 N C -0.770 174.749 175.510 0.014 0.000 1.399 121 N CA -0.817 52.237 53.050 0.008 0.000 0.894 121 N CB 1.204 39.693 38.487 0.003 0.000 1.440 121 N HN 1.040 nan 8.380 nan 0.000 0.503 122 G N -0.338 108.472 108.800 0.016 0.000 2.539 122 G HA2 0.286 4.245 3.960 -0.000 0.000 0.686 122 G HA3 0.286 4.245 3.960 -0.000 0.000 0.686 122 G C -0.911 174.025 174.900 0.060 0.000 1.258 122 G CA -0.395 44.722 45.100 0.030 0.000 0.846 122 G HN 1.195 nan 8.290 nan 0.000 0.647 123 T N -1.837 112.769 114.554 0.086 0.000 2.864 123 T HA 0.813 5.163 4.350 -0.000 0.000 0.299 123 T C -0.362 174.524 174.700 0.311 0.000 1.166 123 T CA -0.869 61.333 62.100 0.169 0.000 1.007 123 T CB 2.203 71.179 68.868 0.180 0.000 1.219 123 T HN 1.091 nan 8.240 nan 0.000 0.506 124 I N 1.518 122.283 120.570 0.325 0.000 2.545 124 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 124 I C -0.991 175.241 176.117 0.192 0.000 1.040 124 I CA -1.022 60.478 61.300 0.334 0.000 1.068 124 I CB 2.209 40.339 38.000 0.217 0.000 1.251 124 I HN 0.550 nan 8.210 nan 0.000 0.424 125 N N 3.896 122.592 118.700 -0.005 0.000 2.284 125 N HA 0.805 5.545 4.740 -0.000 0.000 0.300 125 N C -1.218 174.217 175.510 -0.125 0.000 1.047 125 N CA -0.440 52.463 53.050 -0.245 0.000 0.821 125 N CB 2.381 40.411 38.487 -0.762 0.000 1.337 125 N HN 0.745 nan 8.380 nan 0.000 0.482 126 A N 0.847 123.621 122.820 -0.076 0.000 2.515 126 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 126 A C -1.337 176.221 177.584 -0.043 0.000 1.059 126 A CA -0.680 51.339 52.037 -0.030 0.000 0.698 126 A CB 1.499 20.516 19.000 0.027 0.000 1.289 126 A HN 0.440 nan 8.150 nan 0.000 0.404 127 V N 0.677 120.576 119.914 -0.026 0.000 3.120 127 V HA 0.774 4.894 4.120 -0.000 0.000 0.303 127 V C -0.998 175.110 176.094 0.023 0.000 1.238 127 V CA -0.210 62.079 62.300 -0.018 0.000 1.008 127 V CB 2.597 34.399 31.823 -0.036 0.000 1.064 127 V HN 1.021 nan 8.190 nan 0.000 0.434 128 T N 6.143 120.717 114.554 0.033 0.000 2.772 128 T HA 0.499 4.849 4.350 -0.000 0.000 0.288 128 T C -0.966 173.815 174.700 0.134 0.000 0.994 128 T CA 0.028 62.166 62.100 0.063 0.000 0.951 128 T CB 0.615 69.490 68.868 0.011 0.000 0.933 128 T HN 0.531 nan 8.240 nan 0.000 0.447 129 F N 2.761 122.699 119.950 -0.019 0.000 2.404 129 F HA 0.325 4.852 4.527 -0.000 0.000 0.339 129 F C 1.188 176.989 175.800 0.002 0.000 1.105 129 F CA -1.099 56.894 58.000 -0.011 0.000 1.087 129 F CB 1.347 40.343 39.000 -0.007 0.000 1.143 129 F HN 0.503 nan 8.300 nan 0.000 0.491 130 Q N 3.683 123.137 119.800 -0.577 0.000 2.373 130 Q HA 0.189 4.529 4.340 -0.000 0.000 0.206 130 Q C 0.587 176.112 176.000 -0.792 0.000 0.942 130 Q CA 0.220 55.697 55.803 -0.543 0.000 0.953 130 Q CB 0.208 28.756 28.738 -0.317 0.000 1.022 130 Q HN 0.902 nan 8.270 nan 0.000 0.502 131 G N -0.018 107.872 108.800 -1.518 0.000 3.107 131 G HA2 0.437 4.397 3.960 -0.000 0.000 0.232 131 G HA3 0.437 4.397 3.960 -0.000 0.000 0.232 131 G C -0.646 174.158 174.900 -0.160 0.000 1.339 131 G CA -0.484 44.146 45.100 -0.782 0.000 1.033 131 G HN 0.203 nan 8.290 nan 0.000 0.567 132 S N -0.995 114.788 115.700 0.139 0.000 2.690 132 S HA 0.403 4.872 4.470 -0.000 0.000 0.291 132 S C 1.228 176.033 174.600 0.342 0.000 1.138 132 S CA -0.568 57.779 58.200 0.246 0.000 1.013 132 S CB 1.685 65.007 63.200 0.203 0.000 1.053 132 S HN 0.597 nan 8.310 nan 0.000 0.539 133 L N 2.069 123.463 121.223 0.285 0.000 1.991 133 L HA -0.202 4.138 4.340 -0.000 0.000 0.221 133 L C 2.633 179.624 176.870 0.201 0.000 1.079 133 L CA 2.860 57.817 54.840 0.196 0.000 0.778 133 L CB -1.417 40.717 42.059 0.124 0.000 0.893 133 L HN 1.035 nan 8.230 nan 0.000 0.437 134 S N -1.444 114.380 115.700 0.206 0.000 2.500 134 S HA -0.165 4.305 4.470 -0.000 0.000 0.239 134 S C 1.535 176.231 174.600 0.159 0.000 0.989 134 S CA 1.150 59.453 58.200 0.170 0.000 0.951 134 S CB -0.764 62.512 63.200 0.128 0.000 0.759 134 S HN 0.727 nan 8.310 nan 0.000 0.523 135 E N 0.392 120.735 120.200 0.239 0.000 2.435 135 E HA 0.160 4.509 4.350 -0.000 0.000 0.195 135 E C -0.176 176.522 176.600 0.164 0.000 1.029 135 E CA -0.177 56.386 56.400 0.271 0.000 0.865 135 E CB -0.196 29.744 29.700 0.401 0.000 0.833 135 E HN 0.480 nan 8.360 nan 0.000 0.510 136 L N 1.940 123.142 121.223 -0.034 0.000 2.490 136 L HA -0.049 4.290 4.340 -0.000 0.000 0.274 136 L C 1.797 178.567 176.870 -0.166 0.000 1.201 136 L CA 0.521 55.133 54.840 -0.379 0.000 0.869 136 L CB 0.758 42.586 42.059 -0.385 0.000 1.123 136 L HN 0.083 nan 8.230 nan 0.000 0.484 137 T N -2.441 112.004 114.554 -0.181 0.000 3.067 137 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 137 T C 0.301 174.953 174.700 -0.079 0.000 1.105 137 T CA 0.181 62.229 62.100 -0.086 0.000 1.104 137 T CB 0.075 68.909 68.868 -0.056 0.000 0.925 137 T HN 0.532 nan 8.240 nan 0.000 0.498 138 D N 0.832 121.168 120.400 -0.107 0.000 2.891 138 D HA 0.235 4.874 4.640 -0.000 0.000 0.224 138 D C 0.045 176.305 176.300 -0.067 0.000 1.321 138 D CA -0.665 53.294 54.000 -0.068 0.000 0.929 138 D CB 2.174 42.938 40.800 -0.060 0.000 1.551 138 D HN 0.086 nan 8.370 nan 0.000 0.574 139 V N 1.646 121.556 119.914 -0.007 0.000 3.121 139 V HA 0.351 4.471 4.120 -0.000 0.000 0.344 139 V C 0.612 176.774 176.094 0.113 0.000 1.390 139 V CA 0.060 62.380 62.300 0.033 0.000 1.177 139 V CB -0.468 31.414 31.823 0.099 0.000 1.163 139 V HN 0.446 nan 8.190 nan 0.000 0.484 140 S N -0.870 114.877 115.700 0.079 0.000 2.603 140 S HA 0.329 4.799 4.470 -0.000 0.000 0.268 140 S C 0.815 175.472 174.600 0.095 0.000 1.317 140 S CA 0.140 58.407 58.200 0.111 0.000 1.012 140 S CB 0.845 64.082 63.200 0.062 0.000 0.926 140 S HN 0.462 nan 8.310 nan 0.000 0.539 141 Y N 2.437 122.755 120.300 0.030 0.000 2.069 141 Y HA -0.268 4.282 4.550 -0.000 0.000 0.278 141 Y C 2.084 177.989 175.900 0.007 0.000 1.175 141 Y CA 2.590 60.699 58.100 0.015 0.000 1.134 141 Y CB -0.445 38.019 38.460 0.007 0.000 0.965 141 Y HN 0.716 nan 8.280 nan 0.000 0.498 142 N N -0.379 118.359 118.700 0.063 0.000 2.333 142 N HA -0.041 4.699 4.740 -0.000 0.000 0.178 142 N C 2.023 177.499 175.510 -0.057 0.000 1.018 142 N CA 1.031 54.068 53.050 -0.022 0.000 0.882 142 N CB -0.710 37.823 38.487 0.077 0.000 0.984 142 N HN 0.529 nan 8.380 nan 0.000 0.434 143 G N 1.968 110.748 108.800 -0.033 0.000 2.450 143 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 143 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 143 G C 1.673 176.524 174.900 -0.080 0.000 1.130 143 G CA 0.312 45.384 45.100 -0.046 0.000 0.760 143 G HN 0.209 nan 8.290 nan 0.000 0.557 144 L N 0.102 121.262 121.223 -0.106 0.000 2.081 144 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 144 L C 2.900 179.702 176.870 -0.113 0.000 1.080 144 L CA 0.832 55.596 54.840 -0.127 0.000 0.754 144 L CB -0.433 41.535 42.059 -0.152 0.000 0.893 144 L HN 0.164 nan 8.230 nan 0.000 0.433 145 M N -0.531 118.999 119.600 -0.116 0.000 2.426 145 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 145 M C 1.989 178.253 176.300 -0.059 0.000 1.068 145 M CA 1.409 56.656 55.300 -0.089 0.000 1.066 145 M CB -1.221 31.327 32.600 -0.086 0.000 1.399 145 M HN 0.289 nan 8.290 nan 0.000 0.449 146 S N -0.856 114.810 115.700 -0.056 0.000 2.539 146 S HA 0.370 4.840 4.470 -0.000 0.000 0.221 146 S C 1.886 176.469 174.600 -0.029 0.000 0.987 146 S CA 0.300 58.478 58.200 -0.037 0.000 0.929 146 S CB -0.133 63.048 63.200 -0.032 0.000 0.832 146 S HN 0.442 nan 8.310 nan 0.000 0.492 147 A N 1.676 124.464 122.820 -0.053 0.000 2.032 147 A HA 0.012 4.332 4.320 -0.000 0.000 0.221 147 A C 1.386 179.038 177.584 0.113 0.000 1.165 147 A CA 1.828 53.834 52.037 -0.051 0.000 0.645 147 A CB -0.411 18.503 19.000 -0.143 0.000 0.807 147 A HN 0.481 nan 8.150 nan 0.000 0.453 148 T N -4.211 110.391 114.554 0.079 0.000 2.896 148 T HA 0.572 4.922 4.350 -0.000 0.000 0.297 148 T C 0.344 175.061 174.700 0.028 0.000 1.108 148 T CA 0.087 62.238 62.100 0.084 0.000 1.004 148 T CB 1.748 70.660 68.868 0.074 0.000 1.159 148 T HN 0.492 nan 8.240 nan 0.000 0.499 149 A N 2.537 125.367 122.820 0.017 0.000 2.267 149 A HA 0.320 4.640 4.320 -0.000 0.000 0.213 149 A C 0.624 178.198 177.584 -0.017 0.000 1.192 149 A CA -0.107 51.929 52.037 -0.002 0.000 0.851 149 A CB -0.238 18.762 19.000 -0.000 0.000 0.881 149 A HN 0.725 nan 8.150 nan 0.000 0.494 150 N N 0.705 119.392 118.700 -0.022 0.000 2.452 150 N HA 0.105 4.845 4.740 -0.000 0.000 0.266 150 N C 0.595 176.071 175.510 -0.057 0.000 1.175 150 N CA -0.189 52.836 53.050 -0.041 0.000 0.945 150 N CB 1.106 39.564 38.487 -0.048 0.000 1.063 150 N HN 0.221 nan 8.380 nan 0.000 0.472 151 I N 2.260 122.792 120.570 -0.063 0.000 2.454 151 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 151 I C 1.039 177.086 176.117 -0.116 0.000 1.156 151 I CA 1.217 62.471 61.300 -0.076 0.000 1.433 151 I CB -0.083 37.877 38.000 -0.066 0.000 1.082 151 I HN 0.401 nan 8.210 nan 0.000 0.432 152 N N 0.628 119.246 118.700 -0.136 0.000 2.370 152 N HA -0.011 4.729 4.740 -0.000 0.000 0.198 152 N C 0.144 175.526 175.510 -0.213 0.000 1.156 152 N CA 0.426 53.350 53.050 -0.210 0.000 0.839 152 N CB -0.011 38.343 38.487 -0.222 0.000 0.989 152 N HN 0.413 nan 8.380 nan 0.000 0.468 153 D N 0.291 120.605 120.400 -0.142 0.000 2.535 153 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 153 D C 0.062 176.311 176.300 -0.085 0.000 1.238 153 D CA 0.182 54.115 54.000 -0.111 0.000 0.824 153 D CB 0.866 41.626 40.800 -0.067 0.000 1.045 153 D HN 0.394 nan 8.370 nan 0.000 0.500 154 K N -0.215 120.125 120.400 -0.100 0.000 2.532 154 K HA 0.673 4.992 4.320 -0.000 0.000 0.265 154 K C -1.470 175.078 176.600 -0.086 0.000 0.948 154 K CA -0.935 55.305 56.287 -0.078 0.000 0.842 154 K CB 2.652 35.114 32.500 -0.063 0.000 1.392 154 K HN -0.144 nan 8.250 nan 0.000 0.436 155 I N 0.439 120.969 120.570 -0.067 0.000 2.680 155 I HA 0.535 4.705 4.170 -0.000 0.000 0.291 155 I C -1.350 174.744 176.117 -0.038 0.000 1.244 155 I CA -0.011 61.261 61.300 -0.047 0.000 1.042 155 I CB 2.416 40.400 38.000 -0.026 0.000 1.277 155 I HN 0.871 nan 8.210 nan 0.000 0.423 156 G N 4.313 113.101 108.800 -0.021 0.000 2.513 156 G HA2 0.416 4.375 3.960 -0.000 0.000 0.317 156 G HA3 0.416 4.375 3.960 -0.000 0.000 0.317 156 G C -0.593 174.330 174.900 0.038 0.000 1.277 156 G CA -0.562 44.529 45.100 -0.015 0.000 0.955 156 G HN 0.697 nan 8.290 nan 0.000 0.484 157 N N -0.439 118.312 118.700 0.084 0.000 2.714 157 N HA -0.164 4.576 4.740 -0.000 0.000 0.253 157 N C 0.198 175.778 175.510 0.117 0.000 1.024 157 N CA 0.633 53.773 53.050 0.150 0.000 0.726 157 N CB -0.874 37.692 38.487 0.131 0.000 0.908 157 N HN 0.386 nan 8.380 nan 0.000 0.542 158 V N 1.199 121.182 119.914 0.115 0.000 2.583 158 V HA 0.189 4.309 4.120 -0.000 0.000 0.287 158 V C 1.313 177.469 176.094 0.105 0.000 1.051 158 V CA -0.695 61.664 62.300 0.098 0.000 1.010 158 V CB 1.413 33.293 31.823 0.095 0.000 0.988 158 V HN 0.170 nan 8.190 nan 0.000 0.478 159 L N 4.608 125.881 121.223 0.082 0.000 2.499 159 L HA 0.074 4.414 4.340 -0.000 0.000 0.273 159 L C 1.566 178.478 176.870 0.070 0.000 1.195 159 L CA 0.234 55.118 54.840 0.072 0.000 0.882 159 L CB 0.693 42.784 42.059 0.054 0.000 1.133 159 L HN 0.556 nan 8.230 nan 0.000 0.483 160 V N 4.670 124.625 119.914 0.068 0.000 2.469 160 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 160 V C 2.096 178.208 176.094 0.030 0.000 1.064 160 V CA 2.435 64.767 62.300 0.054 0.000 1.066 160 V CB -0.257 31.589 31.823 0.038 0.000 0.667 160 V HN 1.071 nan 8.190 nan 0.000 0.461 161 G N -1.422 107.393 108.800 0.026 0.000 2.422 161 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 161 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 161 G C 1.427 176.342 174.900 0.025 0.000 1.140 161 G CA 0.789 45.900 45.100 0.018 0.000 0.775 161 G HN 0.590 nan 8.290 nan 0.000 0.545 162 E N -0.464 119.758 120.200 0.037 0.000 2.051 162 E HA 0.309 4.659 4.350 -0.000 0.000 0.189 162 E C 1.420 178.048 176.600 0.047 0.000 0.979 162 E CA 0.394 56.820 56.400 0.043 0.000 0.803 162 E CB 0.023 29.755 29.700 0.053 0.000 0.761 162 E HN 0.455 nan 8.360 nan 0.000 0.451 163 G N 0.144 108.977 108.800 0.054 0.000 2.707 163 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 163 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 163 G C -1.007 173.936 174.900 0.071 0.000 1.315 163 G CA -0.418 44.716 45.100 0.057 0.000 0.832 163 G HN 0.224 nan 8.290 nan 0.000 0.573 164 V N 0.283 120.238 119.914 0.070 0.000 2.769 164 V HA 0.874 4.994 4.120 -0.000 0.000 0.312 164 V C 0.294 176.402 176.094 0.025 0.000 1.061 164 V CA 0.077 62.423 62.300 0.076 0.000 0.931 164 V CB 2.385 34.264 31.823 0.094 0.000 1.010 164 V HN 1.287 nan 8.190 nan 0.000 0.433 165 T N 4.458 119.017 114.554 0.007 0.000 2.792 165 T HA 0.511 4.861 4.350 -0.000 0.000 0.280 165 T C -0.680 173.954 174.700 -0.109 0.000 0.990 165 T CA -0.262 61.743 62.100 -0.159 0.000 0.960 165 T CB 1.466 70.070 68.868 -0.441 0.000 0.939 165 T HN 0.409 nan 8.240 nan 0.000 0.439 166 V N 4.701 124.492 119.914 -0.206 0.000 2.407 166 V HA 0.495 4.615 4.120 -0.000 0.000 0.278 166 V C -0.355 175.605 176.094 -0.224 0.000 1.037 166 V CA -0.697 61.492 62.300 -0.184 0.000 0.900 166 V CB 1.269 32.888 31.823 -0.340 0.000 0.983 166 V HN 0.653 nan 8.190 nan 0.000 0.459 167 L N 4.983 126.149 121.223 -0.095 0.000 2.333 167 L HA 0.589 4.929 4.340 -0.000 0.000 0.280 167 L C 0.107 176.948 176.870 -0.049 0.000 1.004 167 L CA 0.343 55.130 54.840 -0.088 0.000 0.820 167 L CB 2.072 44.175 42.059 0.074 0.000 1.247 167 L HN 0.575 nan 8.230 nan 0.000 0.416 168 S N 5.485 121.145 115.700 -0.066 0.000 2.448 168 S HA 0.561 5.031 4.470 -0.000 0.000 0.279 168 S C -0.397 174.197 174.600 -0.011 0.000 1.195 168 S CA -0.487 57.692 58.200 -0.035 0.000 1.051 168 S CB -0.268 62.911 63.200 -0.035 0.000 0.948 168 S HN 0.583 nan 8.310 nan 0.000 0.493 169 L N 6.794 128.010 121.223 -0.011 0.000 2.325 169 L HA 0.535 4.875 4.340 -0.000 0.000 0.278 169 L C -1.647 175.201 176.870 -0.037 0.000 1.023 169 L CA -2.266 52.569 54.840 -0.009 0.000 0.811 169 L CB 1.438 43.485 42.059 -0.019 0.000 1.249 169 L HN 0.515 nan 8.230 nan 0.000 0.431 170 P HA -0.001 nan 4.420 nan 0.000 0.265 170 P C -0.534 176.626 177.300 -0.233 0.000 1.187 170 P CA 0.010 62.978 63.100 -0.219 0.000 0.766 170 P CB 0.656 32.053 31.700 -0.506 0.000 0.820 171 T N 0.518 114.922 114.554 -0.250 0.000 3.466 171 T HA 0.370 4.720 4.350 -0.000 0.000 0.297 171 T C -0.336 174.203 174.700 -0.268 0.000 1.640 171 T CA -0.102 61.873 62.100 -0.208 0.000 1.631 171 T CB -0.701 68.081 68.868 -0.144 0.000 0.928 171 T HN 0.789 nan 8.240 nan 0.000 0.688 172 S N 0.972 116.464 115.700 -0.346 0.000 2.978 172 S HA -0.107 4.363 4.470 -0.000 0.000 0.855 172 S C -1.017 173.330 174.600 -0.422 0.000 0.951 172 S CA -0.600 57.408 58.200 -0.321 0.000 1.377 172 S CB -0.657 62.413 63.200 -0.217 0.000 0.983 172 S HN 0.558 nan 8.310 nan 0.000 0.235 173 Y N 1.553 121.822 120.300 -0.052 0.000 2.699 173 Y HA 0.476 5.026 4.550 -0.000 0.000 0.326 173 Y C 1.175 177.040 175.900 -0.059 0.000 1.141 173 Y CA -0.352 57.716 58.100 -0.054 0.000 1.246 173 Y CB 0.687 39.120 38.460 -0.044 0.000 1.426 173 Y HN 0.832 nan 8.280 nan 0.000 0.559 174 D N 0.706 121.207 120.400 0.169 0.000 2.837 174 D HA -0.187 4.453 4.640 -0.000 0.000 0.230 174 D C -0.997 175.334 176.300 0.052 0.000 1.152 174 D CA 0.762 54.806 54.000 0.074 0.000 0.736 174 D CB -1.051 39.783 40.800 0.055 0.000 1.084 174 D HN 0.263 nan 8.370 nan 0.000 0.429 175 L N -0.006 121.245 121.223 0.047 0.000 2.417 175 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 175 L C 1.849 178.796 176.870 0.129 0.000 1.158 175 L CA 0.036 54.888 54.840 0.021 0.000 0.819 175 L CB 0.834 42.852 42.059 -0.068 0.000 1.112 175 L HN 0.014 nan 8.230 nan 0.000 0.458 176 G N 0.501 109.438 108.800 0.229 0.000 2.616 176 G HA2 0.201 4.161 3.960 -0.000 0.000 0.268 176 G HA3 0.201 4.161 3.960 -0.000 0.000 0.268 176 G C -0.965 174.099 174.900 0.274 0.000 1.213 176 G CA -0.323 44.932 45.100 0.258 0.000 0.926 176 G HN 0.328 nan 8.290 nan 0.000 0.523 177 Y N -1.169 119.183 120.300 0.087 0.000 2.336 177 Y HA 0.351 4.901 4.550 -0.001 0.000 0.331 177 Y C 0.763 176.709 175.900 0.075 0.000 1.211 177 Y CA -0.040 58.103 58.100 0.073 0.000 1.346 177 Y CB 1.467 39.936 38.460 0.016 0.000 1.271 177 Y HN 0.160 nan 8.280 nan 0.000 0.538 178 V N 4.246 124.224 119.914 0.105 0.000 2.483 178 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 178 V C -0.149 175.982 176.094 0.061 0.000 1.035 178 V CA -1.159 61.090 62.300 -0.085 0.000 0.896 178 V CB 1.579 33.078 31.823 -0.539 0.000 0.986 178 V HN 0.569 nan 8.190 nan 0.000 0.447 179 R N 3.004 123.487 120.500 -0.028 0.000 2.590 179 R HA 0.251 4.591 4.340 -0.000 0.000 0.274 179 R C 0.508 176.674 176.300 -0.224 0.000 1.061 179 R CA 0.288 56.182 56.100 -0.342 0.000 1.081 179 R CB 0.235 30.370 30.300 -0.274 0.000 0.984 179 R HN 0.703 nan 8.270 nan 0.000 0.448 180 L N 3.212 124.295 121.223 -0.233 0.000 2.591 180 L HA 0.225 4.564 4.340 -0.000 0.000 0.228 180 L C 1.000 177.834 176.870 -0.060 0.000 1.133 180 L CA 0.657 55.428 54.840 -0.115 0.000 0.880 180 L CB 0.064 42.076 42.059 -0.079 0.000 1.033 180 L HN 1.094 nan 8.230 nan 0.000 0.450 181 G N 0.854 109.608 108.800 -0.077 0.000 2.182 181 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.248 181 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.248 181 G C -0.041 174.839 174.900 -0.034 0.000 1.042 181 G CA 0.226 45.306 45.100 -0.033 0.000 0.775 181 G HN 0.541 nan 8.290 nan 0.000 0.501 182 D N -0.130 120.232 120.400 -0.063 0.000 2.362 182 D HA 0.377 5.017 4.640 -0.000 0.000 0.242 182 D C -2.520 173.754 176.300 -0.043 0.000 1.132 182 D CA -1.484 52.485 54.000 -0.051 0.000 0.907 182 D CB 0.993 41.748 40.800 -0.074 0.000 1.195 182 D HN 0.157 nan 8.370 nan 0.000 0.429 183 P HA 0.206 nan 4.420 nan 0.000 0.271 183 P C -0.355 176.927 177.300 -0.030 0.000 1.218 183 P CA -0.247 62.838 63.100 -0.025 0.000 0.780 183 P CB 0.657 32.345 31.700 -0.019 0.000 0.901 184 I N -0.393 120.162 120.570 -0.025 0.000 2.750 184 I HA 0.669 4.839 4.170 -0.000 0.000 0.308 184 I C -2.493 173.613 176.117 -0.018 0.000 1.016 184 I CA -3.355 57.930 61.300 -0.024 0.000 1.098 184 I CB 1.344 39.329 38.000 -0.024 0.000 1.279 184 I HN 0.081 nan 8.210 nan 0.000 0.454 185 P HA 0.377 nan 4.420 nan 0.000 0.267 185 P C -0.901 176.393 177.300 -0.010 0.000 1.209 185 P CA 0.094 63.186 63.100 -0.013 0.000 0.763 185 P CB 0.665 32.358 31.700 -0.012 0.000 0.816 186 A N 3.363 126.178 122.820 -0.009 0.000 2.605 186 A HA 0.745 5.065 4.320 -0.000 0.000 0.294 186 A C -1.105 176.475 177.584 -0.005 0.000 1.062 186 A CA -0.681 51.352 52.037 -0.007 0.000 0.682 186 A CB 1.091 20.087 19.000 -0.007 0.000 1.278 186 A HN 0.563 nan 8.150 nan 0.000 0.410 187 I N -1.014 119.554 120.570 -0.004 0.000 2.647 187 I HA 0.972 5.142 4.170 -0.000 0.000 0.295 187 I C -0.029 176.087 176.117 -0.002 0.000 1.078 187 I CA -0.847 60.451 61.300 -0.003 0.000 1.048 187 I CB 2.347 40.345 38.000 -0.003 0.000 1.239 187 I HN 1.026 nan 8.210 nan 0.000 0.421 188 G N 3.807 112.606 108.800 -0.001 0.000 2.692 188 G HA2 0.466 4.425 3.960 -0.000 0.000 0.291 188 G HA3 0.466 4.425 3.960 -0.000 0.000 0.291 188 G C -0.101 174.799 174.900 -0.000 0.000 1.423 188 G CA -0.877 44.223 45.100 -0.001 0.000 0.843 188 G HN 0.723 nan 8.290 nan 0.000 0.486 189 L N -0.424 120.799 121.223 -0.000 0.000 2.083 189 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 189 L C 0.963 177.834 176.870 0.001 0.000 1.083 189 L CA 0.874 55.714 54.840 0.000 0.000 0.752 189 L CB 0.077 42.136 42.059 0.000 0.000 0.899 189 L HN 0.405 nan 8.230 nan 0.000 0.433 190 D N 0.511 120.912 120.400 0.001 0.000 2.339 190 D HA 0.044 4.684 4.640 -0.000 0.000 0.256 190 D C -1.432 174.869 176.300 0.001 0.000 1.214 190 D CA -2.027 51.974 54.000 0.001 0.000 0.877 190 D CB 1.372 42.173 40.800 0.001 0.000 1.111 190 D HN 0.017 nan 8.370 nan 0.000 0.478 191 P HA -0.087 nan 4.420 nan 0.000 0.230 191 P C 0.546 177.847 177.300 0.003 0.000 1.158 191 P CA 0.635 63.737 63.100 0.002 0.000 0.769 191 P CB 0.428 32.129 31.700 0.003 0.000 0.807 192 K N -1.104 119.297 120.400 0.003 0.000 2.387 192 K HA 0.174 4.494 4.320 -0.000 0.000 0.198 192 K C 1.162 177.764 176.600 0.004 0.000 1.022 192 K CA -0.364 55.925 56.287 0.004 0.000 1.128 192 K CB -0.140 32.362 32.500 0.005 0.000 0.853 192 K HN 0.086 nan 8.250 nan 0.000 0.523 193 M N 1.916 121.518 119.600 0.002 0.000 2.250 193 M HA 0.019 4.499 4.480 -0.000 0.000 0.337 193 M C -0.901 175.400 176.300 0.002 0.000 1.161 193 M CA 0.790 56.091 55.300 0.002 0.000 1.088 193 M CB 0.476 33.077 32.600 0.001 0.000 1.639 193 M HN -0.203 nan 8.290 nan 0.000 0.447 194 V N 4.290 124.206 119.914 0.002 0.000 2.760 194 V HA 0.803 4.922 4.120 -0.000 0.000 0.309 194 V C -0.689 175.406 176.094 0.000 0.000 1.077 194 V CA -0.905 61.396 62.300 0.002 0.000 0.910 194 V CB 1.732 33.558 31.823 0.005 0.000 1.008 194 V HN 0.984 nan 8.190 nan 0.000 0.424 195 A N 2.945 125.763 122.820 -0.003 0.000 2.375 195 A HA 0.920 5.240 4.320 -0.000 0.000 0.295 195 A C -0.285 177.291 177.584 -0.012 0.000 1.066 195 A CA -0.156 51.877 52.037 -0.007 0.000 0.722 195 A CB 1.730 20.724 19.000 -0.008 0.000 1.206 195 A HN 1.069 nan 8.150 nan 0.000 0.435 196 T N -1.782 112.764 114.554 -0.015 0.000 2.883 196 T HA 0.578 4.927 4.350 -0.000 0.000 0.296 196 T C -0.738 173.940 174.700 -0.037 0.000 1.117 196 T CA -0.710 61.376 62.100 -0.024 0.000 1.006 196 T CB 1.353 70.210 68.868 -0.017 0.000 1.191 196 T HN 1.290 nan 8.240 nan 0.000 0.508 197 C N 2.669 121.935 119.300 -0.055 0.000 2.264 197 C HA 0.653 5.113 4.460 -0.000 0.000 0.324 197 C C -0.617 174.322 174.990 -0.085 0.000 1.267 197 C CA -0.408 58.566 59.018 -0.074 0.000 1.618 197 C CB -1.218 26.466 27.740 -0.092 0.000 2.278 197 C HN 0.879 nan 8.230 nan 0.000 0.499 198 D N 2.987 123.343 120.400 -0.073 0.000 2.326 198 D HA 0.296 4.936 4.640 -0.000 0.000 0.251 198 D C -0.036 176.231 176.300 -0.055 0.000 1.023 198 D CA 0.186 54.155 54.000 -0.051 0.000 0.966 198 D CB 1.817 42.612 40.800 -0.009 0.000 1.156 198 D HN 0.721 nan 8.370 nan 0.000 0.494 199 S N -0.463 115.215 115.700 -0.037 0.000 2.525 199 S HA 0.154 4.624 4.470 -0.000 0.000 0.285 199 S C 0.778 175.383 174.600 0.008 0.000 1.283 199 S CA -0.033 58.136 58.200 -0.053 0.000 1.072 199 S CB 0.425 63.572 63.200 -0.089 0.000 0.867 199 S HN 0.459 nan 8.310 nan 0.000 0.492 200 S N 1.396 117.101 115.700 0.008 0.000 2.882 200 S HA 0.184 4.654 4.470 -0.000 0.000 0.258 200 S C -0.514 174.127 174.600 0.069 0.000 1.081 200 S CA -0.367 57.858 58.200 0.042 0.000 0.886 200 S CB -0.756 62.431 63.200 -0.021 0.000 0.855 200 S HN 0.674 nan 8.310 nan 0.000 0.467 201 D N 3.408 123.848 120.400 0.066 0.000 2.525 201 D HA 0.265 4.905 4.640 -0.000 0.000 0.235 201 D C 0.174 176.548 176.300 0.123 0.000 1.137 201 D CA 0.639 54.697 54.000 0.096 0.000 0.868 201 D CB -0.004 40.869 40.800 0.123 0.000 1.180 201 D HN 0.148 nan 8.370 nan 0.000 0.465 202 R N -0.381 120.181 120.500 0.104 0.000 3.184 202 R HA -0.100 4.239 4.340 -0.000 0.000 0.257 202 R C -2.467 173.882 176.300 0.081 0.000 0.999 202 R CA -0.046 56.110 56.100 0.094 0.000 0.670 202 R CB -1.865 28.518 30.300 0.139 0.000 1.197 202 R HN 0.461 nan 8.270 nan 0.000 0.419 203 P HA 0.061 nan 4.420 nan 0.000 0.272 203 P C -0.285 177.020 177.300 0.008 0.000 1.230 203 P CA -0.031 63.110 63.100 0.068 0.000 0.788 203 P CB 0.717 32.475 31.700 0.096 0.000 0.949 204 R N 0.959 121.445 120.500 -0.024 0.000 2.460 204 R HA 0.535 4.875 4.340 -0.000 0.000 0.303 204 R C -1.370 174.840 176.300 -0.149 0.000 0.968 204 R CA -0.769 55.260 56.100 -0.119 0.000 0.889 204 R CB 1.006 31.217 30.300 -0.148 0.000 1.123 204 R HN 0.261 nan 8.270 nan 0.000 0.455 205 V N 5.290 125.078 119.914 -0.211 0.000 2.531 205 V HA 0.367 4.486 4.120 -0.000 0.000 0.301 205 V C -1.208 174.767 176.094 -0.198 0.000 1.034 205 V CA -0.731 61.489 62.300 -0.134 0.000 0.865 205 V CB 1.518 33.309 31.823 -0.053 0.000 0.995 205 V HN 0.697 nan 8.190 nan 0.000 0.424 206 Y N 1.794 122.099 120.300 0.008 0.000 2.342 206 Y HA 0.602 5.152 4.550 -0.000 0.000 0.334 206 Y C 0.744 176.642 175.900 -0.004 0.000 1.067 206 Y CA -0.426 57.678 58.100 0.006 0.000 1.128 206 Y CB 2.161 40.634 38.460 0.022 0.000 1.200 206 Y HN 0.505 nan 8.280 nan 0.000 0.464 207 T N 5.315 119.947 114.554 0.131 0.000 2.809 207 T HA 0.560 4.910 4.350 -0.000 0.000 0.284 207 T C -0.602 174.090 174.700 -0.012 0.000 0.992 207 T CA -0.536 61.590 62.100 0.043 0.000 0.957 207 T CB 0.290 69.163 68.868 0.009 0.000 0.942 207 T HN 0.376 nan 8.240 nan 0.000 0.439 208 I N 2.963 123.490 120.570 -0.072 0.000 2.410 208 I HA 0.264 4.433 4.170 -0.000 0.000 0.286 208 I C 0.226 176.208 176.117 -0.224 0.000 1.009 208 I CA -0.709 60.453 61.300 -0.230 0.000 1.111 208 I CB 1.810 39.530 38.000 -0.467 0.000 1.262 208 I HN 0.456 nan 8.210 nan 0.000 0.443 209 T N 5.717 120.154 114.554 -0.196 0.000 2.782 209 T HA 0.222 4.571 4.350 -0.000 0.000 0.298 209 T C 1.148 175.733 174.700 -0.192 0.000 0.944 209 T CA -0.237 61.776 62.100 -0.144 0.000 1.001 209 T CB 1.220 70.033 68.868 -0.092 0.000 0.932 209 T HN 0.769 nan 8.240 nan 0.000 0.524 210 A N 3.125 125.846 122.820 -0.166 0.000 2.014 210 A HA 0.577 4.897 4.320 -0.000 0.000 0.218 210 A C 1.191 178.769 177.584 -0.011 0.000 1.163 210 A CA 0.629 52.611 52.037 -0.093 0.000 0.652 210 A CB 0.096 19.200 19.000 0.172 0.000 0.808 210 A HN 0.907 nan 8.150 nan 0.000 0.449 211 A N -0.999 121.814 122.820 -0.011 0.000 2.594 211 A HA 0.544 4.864 4.320 -0.000 0.000 0.296 211 A C -1.937 175.661 177.584 0.024 0.000 1.061 211 A CA -0.198 51.865 52.037 0.043 0.000 0.689 211 A CB 1.005 20.064 19.000 0.099 0.000 1.280 211 A HN 0.059 nan 8.150 nan 0.000 0.406 212 D N 1.719 122.161 120.400 0.070 0.000 2.405 212 D HA 0.406 5.046 4.640 -0.000 0.000 0.264 212 D C -0.648 175.695 176.300 0.071 0.000 1.240 212 D CA 0.268 54.291 54.000 0.039 0.000 0.893 212 D CB 0.149 40.963 40.800 0.025 0.000 1.198 212 D HN 0.463 nan 8.370 nan 0.000 0.514 213 D N 1.926 122.360 120.400 0.057 0.000 2.746 213 D HA -0.279 4.361 4.640 -0.000 0.000 0.236 213 D C -0.659 175.706 176.300 0.109 0.000 1.129 213 D CA 0.419 54.457 54.000 0.062 0.000 0.691 213 D CB -1.339 39.489 40.800 0.047 0.000 1.077 213 D HN 0.464 nan 8.370 nan 0.000 0.432 214 Y N 1.250 121.601 120.300 0.085 0.000 2.442 214 Y HA 0.185 4.735 4.550 -0.000 0.000 0.330 214 Y C 0.511 176.522 175.900 0.185 0.000 1.129 214 Y CA 0.286 58.468 58.100 0.137 0.000 1.365 214 Y CB 0.633 39.205 38.460 0.187 0.000 1.233 214 Y HN -0.062 nan 8.280 nan 0.000 0.529 215 Q N 7.283 126.624 119.800 -0.765 0.000 2.331 215 Q HA 0.193 4.533 4.340 -0.000 0.000 0.257 215 Q C -1.481 174.000 176.000 -0.864 0.000 0.957 215 Q CA -0.428 55.032 55.803 -0.571 0.000 0.923 215 Q CB 1.204 29.746 28.738 -0.326 0.000 1.212 215 Q HN 0.722 nan 8.270 nan 0.000 0.443 216 F N 1.431 120.850 119.950 -0.885 0.000 2.443 216 F HA 0.541 5.067 4.527 -0.000 0.000 0.335 216 F C -0.531 174.861 175.800 -0.680 0.000 1.104 216 F CA -0.401 57.022 58.000 -0.961 0.000 1.013 216 F CB 1.622 39.446 39.000 -1.960 0.000 1.136 216 F HN 0.306 nan 8.300 nan 0.000 0.470 217 S N 3.777 118.649 115.700 -1.381 0.000 2.546 217 S HA 0.707 5.176 4.470 -0.000 0.000 0.272 217 S C -1.393 172.644 174.600 -0.939 0.000 1.140 217 S CA -0.416 57.230 58.200 -0.923 0.000 0.920 217 S CB 1.399 64.317 63.200 -0.471 0.000 1.083 217 S HN 0.977 nan 8.310 nan 0.000 0.476 218 S N 2.480 117.838 115.700 -0.569 0.000 2.597 218 S HA 0.407 4.876 4.470 -0.000 0.000 0.274 218 S C -2.172 172.373 174.600 -0.091 0.000 1.132 218 S CA -0.781 57.230 58.200 -0.316 0.000 0.835 218 S CB 1.131 64.146 63.200 -0.308 0.000 1.092 218 S HN 0.697 nan 8.310 nan 0.000 0.457 219 Q N 2.594 122.370 119.800 -0.041 0.000 2.293 219 Q HA 0.277 4.616 4.340 -0.000 0.000 0.251 219 Q C -0.223 175.831 176.000 0.090 0.000 0.930 219 Q CA -0.413 55.408 55.803 0.029 0.000 0.893 219 Q CB 0.085 28.828 28.738 0.008 0.000 1.215 219 Q HN 0.715 nan 8.270 nan 0.000 0.425 220 Y N 1.896 122.211 120.300 0.024 0.000 2.741 220 Y HA -0.131 4.419 4.550 -0.000 0.000 0.351 220 Y C -0.326 175.597 175.900 0.039 0.000 1.274 220 Y CA 0.931 59.056 58.100 0.043 0.000 1.482 220 Y CB 0.626 39.109 38.460 0.038 0.000 1.357 220 Y HN 0.584 nan 8.280 nan 0.000 0.657 221 Q N 2.736 121.866 119.800 -1.116 0.000 2.430 221 Q HA 0.157 4.497 4.340 -0.000 0.000 0.253 221 Q C -1.097 174.229 176.000 -1.123 0.000 0.945 221 Q CA -0.635 54.651 55.803 -0.862 0.000 0.964 221 Q CB 1.865 30.412 28.738 -0.318 0.000 1.460 221 Q HN 0.744 nan 8.270 nan 0.000 0.428 222 S N 0.026 115.233 115.700 -0.822 0.000 2.552 222 S HA 0.260 4.729 4.470 -0.000 0.000 0.289 222 S C 1.206 175.721 174.600 -0.142 0.000 1.304 222 S CA 1.686 59.703 58.200 -0.306 0.000 1.063 222 S CB 0.372 63.528 63.200 -0.075 0.000 0.848 222 S HN 0.958 nan 8.310 nan 0.000 0.499 223 G N 2.022 110.824 108.800 0.004 0.000 2.225 223 G HA2 0.026 3.986 3.960 -0.000 0.000 0.254 223 G HA3 0.026 3.986 3.960 -0.000 0.000 0.254 223 G C 0.756 175.675 174.900 0.031 0.000 0.988 223 G CA 0.127 45.239 45.100 0.019 0.000 0.625 223 G HN 1.940 nan 8.290 nan 0.000 0.527 224 G N -2.360 106.454 108.800 0.024 0.000 2.712 224 G HA2 0.292 4.252 3.960 -0.000 0.000 0.683 224 G HA3 0.292 4.252 3.960 -0.000 0.000 0.683 224 G C -0.455 174.478 174.900 0.054 0.000 1.320 224 G CA 0.037 45.181 45.100 0.074 0.000 0.847 224 G HN 1.582 nan 8.290 nan 0.000 0.553 225 V N 0.463 120.448 119.914 0.119 0.000 2.448 225 V HA 0.713 4.833 4.120 -0.000 0.000 0.295 225 V C 0.579 176.759 176.094 0.143 0.000 1.025 225 V CA -0.259 62.130 62.300 0.149 0.000 0.859 225 V CB 1.670 33.659 31.823 0.277 0.000 0.988 225 V HN 1.002 nan 8.190 nan 0.000 0.431 226 T N 6.523 121.145 114.554 0.112 0.000 2.824 226 T HA 0.741 5.090 4.350 -0.000 0.000 0.280 226 T C -0.337 174.436 174.700 0.122 0.000 0.995 226 T CA -0.183 61.974 62.100 0.095 0.000 1.009 226 T CB 0.962 69.867 68.868 0.061 0.000 0.955 226 T HN 0.721 nan 8.240 nan 0.000 0.452 227 I N -0.400 120.242 120.570 0.120 0.000 2.769 227 I HA 0.619 4.789 4.170 -0.000 0.000 0.298 227 I C -0.829 175.343 176.117 0.091 0.000 1.128 227 I CA -0.739 60.644 61.300 0.139 0.000 1.031 227 I CB 2.587 40.728 38.000 0.235 0.000 1.235 227 I HN 0.347 nan 8.210 nan 0.000 0.423 228 T N 5.931 120.522 114.554 0.062 0.000 2.781 228 T HA 0.245 4.595 4.350 -0.000 0.000 0.305 228 T C 0.802 175.512 174.700 0.017 0.000 1.001 228 T CA -0.257 61.852 62.100 0.014 0.000 0.950 228 T CB 0.957 69.814 68.868 -0.019 0.000 0.955 228 T HN 0.560 nan 8.240 nan 0.000 0.471 229 L N 4.942 126.174 121.223 0.016 0.000 2.046 229 L HA 0.202 4.542 4.340 -0.000 0.000 0.208 229 L C 0.290 177.231 176.870 0.120 0.000 1.077 229 L CA 1.869 56.742 54.840 0.055 0.000 0.747 229 L CB -0.349 41.783 42.059 0.121 0.000 0.896 229 L HN 0.742 nan 8.230 nan 0.000 0.432 230 F N -3.378 116.566 119.950 -0.009 0.000 2.773 230 F HA 0.588 5.115 4.527 -0.000 0.000 0.314 230 F C -0.826 174.972 175.800 -0.003 0.000 1.160 230 F CA -0.909 57.082 58.000 -0.016 0.000 0.920 230 F CB 0.736 39.724 39.000 -0.020 0.000 1.323 230 F HN -0.303 nan 8.300 nan 0.000 0.457 231 S N 1.590 117.417 115.700 0.213 0.000 2.614 231 S HA 0.902 5.372 4.470 -0.000 0.000 0.275 231 S C -1.522 173.229 174.600 0.252 0.000 1.161 231 S CA 0.231 58.480 58.200 0.081 0.000 0.969 231 S CB 1.079 64.282 63.200 0.004 0.000 1.059 231 S HN 1.833 nan 8.310 nan 0.000 0.482 232 A N 3.990 126.948 122.820 0.229 0.000 2.515 232 A HA 0.715 5.035 4.320 -0.000 0.000 0.298 232 A C -0.951 176.645 177.584 0.020 0.000 1.059 232 A CA -0.927 51.196 52.037 0.143 0.000 0.698 232 A CB 1.224 20.326 19.000 0.170 0.000 1.289 232 A HN 0.781 nan 8.150 nan 0.000 0.404 233 N N 1.295 119.983 118.700 -0.020 0.000 2.458 233 N HA 0.561 5.300 4.740 -0.000 0.000 0.270 233 N C -0.456 174.942 175.510 -0.186 0.000 1.102 233 N CA 0.322 53.341 53.050 -0.051 0.000 0.967 233 N CB 1.033 39.523 38.487 0.005 0.000 1.078 233 N HN 0.736 nan 8.380 nan 0.000 0.471 234 I N -1.848 118.586 120.570 -0.227 0.000 3.195 234 I HA 0.560 4.729 4.170 -0.000 0.000 0.313 234 I C -1.291 174.781 176.117 -0.074 0.000 1.237 234 I CA -0.974 60.041 61.300 -0.476 0.000 0.963 234 I CB 2.761 40.316 38.000 -0.743 0.000 1.278 234 I HN 0.066 nan 8.210 nan 0.000 0.460 235 D N 2.068 122.534 120.400 0.110 0.000 2.619 235 D HA 0.749 5.389 4.640 -0.000 0.000 0.241 235 D C -1.103 175.280 176.300 0.139 0.000 1.087 235 D CA -0.247 53.843 54.000 0.149 0.000 0.851 235 D CB 2.483 43.402 40.800 0.200 0.000 1.474 235 D HN 0.919 nan 8.370 nan 0.000 0.478 236 A N 1.635 124.499 122.820 0.074 0.000 2.566 236 A HA 0.542 4.862 4.320 -0.000 0.000 0.297 236 A C -0.397 177.181 177.584 -0.011 0.000 1.059 236 A CA -0.510 51.551 52.037 0.040 0.000 0.691 236 A CB 0.964 19.983 19.000 0.031 0.000 1.282 236 A HN 0.559 nan 8.150 nan 0.000 0.401 237 I N 0.253 120.800 120.570 -0.038 0.000 4.197 237 I HA 0.121 4.291 4.170 -0.000 0.000 0.307 237 I C 1.184 177.271 176.117 -0.051 0.000 1.236 237 I CA 1.088 62.323 61.300 -0.108 0.000 1.321 237 I CB 0.828 38.680 38.000 -0.246 0.000 1.309 237 I HN 0.823 nan 8.210 nan 0.000 0.450 238 T N -1.367 113.193 114.554 0.011 0.000 2.762 238 T HA 0.411 4.761 4.350 -0.000 0.000 0.272 238 T C 0.267 174.995 174.700 0.047 0.000 0.982 238 T CA -0.540 61.585 62.100 0.041 0.000 1.013 238 T CB 1.062 69.987 68.868 0.094 0.000 1.309 238 T HN 0.121 nan 8.240 nan 0.000 0.572 239 S N 0.816 116.565 115.700 0.082 0.000 2.561 239 S HA 0.365 4.835 4.470 -0.000 0.000 0.294 239 S C 0.101 174.712 174.600 0.018 0.000 1.294 239 S CA -0.570 57.695 58.200 0.108 0.000 1.055 239 S CB -0.979 62.344 63.200 0.207 0.000 0.819 239 S HN 1.119 nan 8.310 nan 0.000 0.503 240 L N -1.082 120.098 121.223 -0.073 0.000 2.479 240 L HA 0.916 5.255 4.340 -0.000 0.000 0.255 240 L C -0.703 176.071 176.870 -0.159 0.000 1.026 240 L CA -1.122 53.540 54.840 -0.297 0.000 0.842 240 L CB 2.003 43.986 42.059 -0.126 0.000 1.444 240 L HN 0.747 nan 8.230 nan 0.000 0.409 241 S N 0.332 115.924 115.700 -0.179 0.000 2.599 241 S HA 0.871 5.341 4.470 -0.000 0.000 0.294 241 S C -0.690 173.932 174.600 0.037 0.000 1.094 241 S CA -0.722 57.487 58.200 0.015 0.000 0.931 241 S CB 2.046 65.322 63.200 0.126 0.000 1.093 241 S HN 0.611 nan 8.310 nan 0.000 0.488 242 I N 1.076 121.696 120.570 0.082 0.000 2.497 242 I HA 0.616 4.786 4.170 -0.000 0.000 0.284 242 I C 0.245 176.469 176.117 0.179 0.000 1.060 242 I CA -0.408 60.971 61.300 0.131 0.000 1.071 242 I CB 1.847 39.925 38.000 0.131 0.000 1.216 242 I HN 0.905 nan 8.210 nan 0.000 0.442 243 G N 3.084 111.972 108.800 0.147 0.000 2.600 243 G HA2 0.924 4.884 3.960 -0.000 0.000 0.303 243 G HA3 0.924 4.884 3.960 -0.000 0.000 0.303 243 G C -0.537 174.343 174.900 -0.034 0.000 1.253 243 G CA -0.605 44.551 45.100 0.093 0.000 0.974 243 G HN 0.955 nan 8.290 nan 0.000 0.483 244 G N -1.166 107.494 108.800 -0.234 0.000 2.357 244 G HA2 0.448 4.407 3.960 -0.000 0.000 0.289 244 G HA3 0.448 4.407 3.960 -0.000 0.000 0.289 244 G C -1.599 172.820 174.900 -0.802 0.000 1.302 244 G CA -0.165 44.638 45.100 -0.496 0.000 0.936 244 G HN 0.870 nan 8.290 nan 0.000 0.513 245 E N -1.108 118.622 120.200 -0.782 0.000 2.354 245 E HA 0.569 4.919 4.350 -0.000 0.000 0.283 245 E C -1.072 175.315 176.600 -0.355 0.000 0.938 245 E CA -0.715 55.358 56.400 -0.545 0.000 0.777 245 E CB 1.659 31.207 29.700 -0.254 0.000 1.222 245 E HN 0.638 nan 8.360 nan 0.000 0.423 246 L N 2.762 123.898 121.223 -0.145 0.000 2.331 246 L HA 0.726 5.066 4.340 -0.000 0.000 0.275 246 L C -0.716 176.079 176.870 -0.124 0.000 1.022 246 L CA -1.254 53.521 54.840 -0.108 0.000 0.812 246 L CB 1.694 43.786 42.059 0.057 0.000 1.257 246 L HN 0.250 nan 8.230 nan 0.000 0.435 247 V N 2.112 121.844 119.914 -0.302 0.000 2.409 247 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 247 V C -0.648 175.164 176.094 -0.471 0.000 1.020 247 V CA -0.368 61.795 62.300 -0.228 0.000 0.848 247 V CB 1.422 33.131 31.823 -0.190 0.000 0.990 247 V HN 0.381 nan 8.190 nan 0.000 0.430 248 F N 2.904 122.756 119.950 -0.163 0.000 2.443 248 F HA 0.605 5.132 4.527 -0.000 0.000 0.335 248 F C 0.501 176.319 175.800 0.030 0.000 1.104 248 F CA -0.347 57.560 58.000 -0.156 0.000 1.013 248 F CB 1.323 40.186 39.000 -0.227 0.000 1.136 248 F HN 0.480 nan 8.300 nan 0.000 0.470 249 H N 0.195 119.406 119.070 0.236 0.000 2.572 249 H HA 0.609 5.164 4.556 -0.000 0.000 0.359 249 H C -0.667 174.806 175.328 0.241 0.000 1.134 249 H CA -0.921 55.235 56.048 0.180 0.000 1.187 249 H CB 2.430 32.265 29.762 0.121 0.000 1.597 249 H HN 0.572 nan 8.280 nan 0.000 0.524 250 T N 0.530 115.260 114.554 0.293 0.000 2.889 250 T HA 0.180 4.530 4.350 -0.000 0.000 0.315 250 T C 0.185 174.939 174.700 0.090 0.000 1.291 250 T CA -0.504 61.730 62.100 0.224 0.000 1.028 250 T CB 1.696 70.706 68.868 0.236 0.000 1.235 250 T HN 0.531 nan 8.240 nan 0.000 0.491 251 S N 1.119 116.859 115.700 0.066 0.000 2.502 251 S HA 0.268 4.737 4.470 -0.000 0.000 0.215 251 S C 0.482 175.060 174.600 -0.035 0.000 1.009 251 S CA -0.100 58.102 58.200 0.004 0.000 0.908 251 S CB 0.379 63.596 63.200 0.028 0.000 0.801 251 S HN 0.578 nan 8.310 nan 0.000 0.505 252 V N 3.484 123.404 119.914 0.009 0.000 2.607 252 V HA 0.237 4.357 4.120 -0.000 0.000 0.289 252 V C 0.134 176.202 176.094 -0.044 0.000 1.053 252 V CA -0.556 61.761 62.300 0.028 0.000 0.996 252 V CB 0.729 32.604 31.823 0.087 0.000 0.995 252 V HN 0.429 nan 8.190 nan 0.000 0.476 253 H N 2.391 121.490 119.070 0.049 0.000 2.488 253 H HA 0.364 4.920 4.556 -0.000 0.000 0.347 253 H C 1.235 176.580 175.328 0.028 0.000 1.174 253 H CA 0.669 56.739 56.048 0.036 0.000 1.307 253 H CB 1.500 31.273 29.762 0.018 0.000 1.517 253 H HN 0.942 nan 8.280 nan 0.000 0.554 254 G N 1.817 110.704 108.800 0.145 0.000 2.155 254 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.257 254 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.257 254 G C 0.153 175.087 174.900 0.058 0.000 0.983 254 G CA 0.068 45.215 45.100 0.079 0.000 0.676 254 G HN 0.426 nan 8.290 nan 0.000 0.528 255 L N 0.299 121.565 121.223 0.071 0.000 2.350 255 L HA 0.682 5.022 4.340 -0.000 0.000 0.275 255 L C 0.654 177.542 176.870 0.031 0.000 1.099 255 L CA -0.050 54.840 54.840 0.084 0.000 0.808 255 L CB 1.610 43.756 42.059 0.145 0.000 1.149 255 L HN 0.380 nan 8.230 nan 0.000 0.442 256 A N 4.433 127.264 122.820 0.018 0.000 2.422 256 A HA 0.781 5.101 4.320 -0.000 0.000 0.302 256 A C -1.045 176.489 177.584 -0.083 0.000 1.041 256 A CA -0.512 51.501 52.037 -0.039 0.000 0.708 256 A CB 1.286 20.276 19.000 -0.016 0.000 1.257 256 A HN 0.604 nan 8.150 nan 0.000 0.414 257 L N 1.690 122.802 121.223 -0.185 0.000 2.334 257 L HA 0.570 4.910 4.340 -0.000 0.000 0.273 257 L C -0.910 175.842 176.870 -0.196 0.000 1.013 257 L CA -0.889 53.795 54.840 -0.259 0.000 0.816 257 L CB 1.994 43.720 42.059 -0.555 0.000 1.278 257 L HN 0.599 nan 8.230 nan 0.000 0.431 258 D N 1.756 122.060 120.400 -0.161 0.000 2.498 258 D HA 0.666 5.306 4.640 -0.000 0.000 0.247 258 D C -0.953 175.260 176.300 -0.145 0.000 1.070 258 D CA -0.166 53.758 54.000 -0.126 0.000 0.842 258 D CB 2.566 43.321 40.800 -0.075 0.000 1.361 258 D HN 0.571 nan 8.370 nan 0.000 0.484 259 A N 1.539 124.264 122.820 -0.158 0.000 2.374 259 A HA 0.704 5.024 4.320 -0.000 0.000 0.305 259 A C -0.570 176.873 177.584 -0.235 0.000 1.053 259 A CA -0.525 51.405 52.037 -0.179 0.000 0.726 259 A CB 1.634 20.527 19.000 -0.179 0.000 1.229 259 A HN 0.344 nan 8.150 nan 0.000 0.431 260 T N 2.935 117.321 114.554 -0.279 0.000 2.893 260 T HA 0.516 4.866 4.350 -0.000 0.000 0.293 260 T C -0.523 173.821 174.700 -0.593 0.000 1.027 260 T CA -0.319 61.519 62.100 -0.437 0.000 0.988 260 T CB 0.981 69.558 68.868 -0.485 0.000 1.043 260 T HN 0.485 nan 8.240 nan 0.000 0.461 261 I N 3.312 123.527 120.570 -0.593 0.000 2.359 261 I HA 0.400 4.570 4.170 -0.000 0.000 0.294 261 I C -0.951 174.814 176.117 -0.588 0.000 0.987 261 I CA -0.622 60.374 61.300 -0.506 0.000 1.225 261 I CB 1.139 38.937 38.000 -0.338 0.000 1.366 261 I HN 0.672 nan 8.210 nan 0.000 0.466 262 Y N 5.852 126.064 120.300 -0.148 0.000 2.409 262 Y HA 0.533 5.083 4.550 -0.000 0.000 0.343 262 Y C -0.197 175.644 175.900 -0.099 0.000 0.973 262 Y CA -0.800 57.233 58.100 -0.111 0.000 1.064 262 Y CB 1.888 40.283 38.460 -0.109 0.000 1.207 262 Y HN 0.285 nan 8.280 nan 0.000 0.452 263 L N 5.113 126.381 121.223 0.074 0.000 2.305 263 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 263 L C -0.924 175.965 176.870 0.031 0.000 1.013 263 L CA -0.697 54.160 54.840 0.027 0.000 0.819 263 L CB 0.983 43.044 42.059 0.002 0.000 1.227 263 L HN 0.485 nan 8.230 nan 0.000 0.417 264 I N 2.114 122.693 120.570 0.014 0.000 2.437 264 I HA 0.446 4.616 4.170 -0.000 0.000 0.298 264 I C 0.883 177.005 176.117 0.007 0.000 0.984 264 I CA -0.260 61.040 61.300 -0.001 0.000 1.214 264 I CB 1.415 39.399 38.000 -0.026 0.000 1.365 264 I HN 0.549 nan 8.210 nan 0.000 0.469 265 G N 2.858 111.665 108.800 0.011 0.000 2.580 265 G HA2 0.209 4.169 3.960 -0.000 0.000 0.278 265 G HA3 0.209 4.169 3.960 -0.000 0.000 0.278 265 G C 0.348 175.296 174.900 0.080 0.000 1.212 265 G CA -0.346 44.785 45.100 0.050 0.000 0.939 265 G HN 0.600 nan 8.290 nan 0.000 0.513 266 F N 0.533 120.471 119.950 -0.020 0.000 2.202 266 F HA -0.120 4.406 4.527 -0.000 0.000 0.301 266 F C 2.181 177.916 175.800 -0.108 0.000 1.082 266 F CA 1.951 59.880 58.000 -0.118 0.000 1.313 266 F CB 0.248 39.084 39.000 -0.274 0.000 1.024 266 F HN 0.424 nan 8.300 nan 0.000 0.495 267 D N -1.034 119.384 120.400 0.029 0.000 2.328 267 D HA 0.156 4.795 4.640 -0.000 0.000 0.226 267 D C 1.829 178.112 176.300 -0.029 0.000 1.066 267 D CA 0.738 54.748 54.000 0.015 0.000 0.861 267 D CB -0.444 40.530 40.800 0.289 0.000 0.912 267 D HN 0.405 nan 8.370 nan 0.000 0.521 268 G N -0.571 108.191 108.800 -0.064 0.000 2.199 268 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 268 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 268 G C 0.571 175.447 174.900 -0.039 0.000 0.982 268 G CA 0.419 45.480 45.100 -0.065 0.000 0.632 268 G HN 0.494 nan 8.290 nan 0.000 0.529 269 T N 1.664 116.216 114.554 -0.003 0.000 2.898 269 T HA 0.471 4.820 4.350 -0.000 0.000 0.301 269 T C 0.657 175.350 174.700 -0.012 0.000 1.049 269 T CA 0.930 63.030 62.100 -0.000 0.000 1.095 269 T CB 0.961 69.850 68.868 0.035 0.000 0.976 269 T HN 0.179 nan 8.240 nan 0.000 0.539 270 T N 2.668 117.213 114.554 -0.016 0.000 2.749 270 T HA 0.252 4.602 4.350 -0.000 0.000 0.295 270 T C 1.286 175.994 174.700 0.013 0.000 0.936 270 T CA -0.528 61.573 62.100 0.002 0.000 1.060 270 T CB 0.802 69.678 68.868 0.013 0.000 0.904 270 T HN 0.358 nan 8.240 nan 0.000 0.500 271 V N 4.205 124.125 119.914 0.011 0.000 2.795 271 V HA 0.320 4.440 4.120 -0.000 0.000 0.243 271 V C 0.344 176.441 176.094 0.005 0.000 1.069 271 V CA 0.597 62.892 62.300 -0.008 0.000 1.089 271 V CB 0.057 31.862 31.823 -0.030 0.000 0.756 271 V HN 0.656 nan 8.190 nan 0.000 0.471 272 I N 0.107 120.690 120.570 0.022 0.000 2.656 272 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 272 I C -0.377 175.755 176.117 0.025 0.000 1.144 272 I CA 0.014 61.321 61.300 0.012 0.000 1.038 272 I CB 2.363 40.357 38.000 -0.010 0.000 1.244 272 I HN 0.166 nan 8.210 nan 0.000 0.420 273 T N 2.740 117.287 114.554 -0.012 0.000 2.886 273 T HA 0.866 5.215 4.350 -0.000 0.000 0.292 273 T C -0.606 174.001 174.700 -0.154 0.000 1.012 273 T CA -0.841 61.195 62.100 -0.106 0.000 0.982 273 T CB 1.891 70.746 68.868 -0.020 0.000 1.018 273 T HN 0.333 nan 8.240 nan 0.000 0.451 274 R N 1.458 121.808 120.500 -0.249 0.000 2.533 274 R HA 0.777 5.117 4.340 -0.000 0.000 0.288 274 R C -0.500 175.655 176.300 -0.242 0.000 1.039 274 R CA -0.667 55.318 56.100 -0.193 0.000 0.909 274 R CB 1.740 31.947 30.300 -0.156 0.000 1.195 274 R HN 1.065 nan 8.270 nan 0.000 0.438 275 A N 2.294 125.008 122.820 -0.178 0.000 2.401 275 A HA 0.371 4.691 4.320 -0.000 0.000 0.259 275 A C 0.438 177.917 177.584 -0.175 0.000 1.103 275 A CA -0.242 51.689 52.037 -0.177 0.000 0.789 275 A CB 0.699 19.628 19.000 -0.119 0.000 1.035 275 A HN 0.530 nan 8.150 nan 0.000 0.491 276 V N 1.306 121.091 119.914 -0.214 0.000 3.572 276 V HA 0.461 4.581 4.120 -0.000 0.000 0.260 276 V C 0.799 176.816 176.094 -0.128 0.000 1.324 276 V CA 1.370 63.538 62.300 -0.220 0.000 1.068 276 V CB 0.356 31.905 31.823 -0.457 0.000 0.837 276 V HN 1.202 nan 8.190 nan 0.000 0.450 277 A N -0.767 121.973 122.820 -0.133 0.000 2.488 277 A HA 0.760 5.079 4.320 -0.000 0.000 0.295 277 A C -0.751 176.770 177.584 -0.105 0.000 1.045 277 A CA -0.229 51.746 52.037 -0.104 0.000 0.703 277 A CB 1.964 20.889 19.000 -0.125 0.000 1.271 277 A HN 0.015 nan 8.150 nan 0.000 0.400 278 S N 1.344 116.995 115.700 -0.081 0.000 2.647 278 S HA 0.514 4.984 4.470 -0.000 0.000 0.300 278 S C -0.324 174.240 174.600 -0.060 0.000 1.129 278 S CA 0.280 58.439 58.200 -0.068 0.000 1.029 278 S CB 0.901 64.069 63.200 -0.053 0.000 1.007 278 S HN 1.409 nan 8.310 nan 0.000 0.484 279 D N 3.427 123.791 120.400 -0.060 0.000 2.686 279 D HA -0.247 4.392 4.640 -0.000 0.000 0.235 279 D C -0.157 176.109 176.300 -0.058 0.000 1.160 279 D CA 1.137 55.108 54.000 -0.049 0.000 0.645 279 D CB -1.435 39.349 40.800 -0.028 0.000 1.039 279 D HN 0.691 nan 8.370 nan 0.000 0.423 280 N N -0.130 118.516 118.700 -0.091 0.000 2.402 280 N HA 0.368 5.108 4.740 -0.000 0.000 0.252 280 N C 0.593 176.039 175.510 -0.106 0.000 1.118 280 N CA -0.023 52.968 53.050 -0.098 0.000 0.945 280 N CB 0.383 38.789 38.487 -0.136 0.000 1.147 280 N HN 0.311 nan 8.380 nan 0.000 0.495 281 G N 3.365 112.128 108.800 -0.062 0.000 2.442 281 G HA2 0.287 4.247 3.960 -0.000 0.000 0.249 281 G HA3 0.287 4.247 3.960 -0.000 0.000 0.249 281 G C -0.081 174.791 174.900 -0.047 0.000 1.263 281 G CA -0.478 44.596 45.100 -0.044 0.000 0.846 281 G HN 0.561 nan 8.290 nan 0.000 0.555 282 L N 1.908 123.108 121.223 -0.039 0.000 2.264 282 L HA 0.307 4.647 4.340 -0.000 0.000 0.289 282 L C 0.526 177.401 176.870 0.009 0.000 1.044 282 L CA -0.534 54.296 54.840 -0.018 0.000 0.807 282 L CB 1.501 43.555 42.059 -0.009 0.000 1.192 282 L HN 0.361 nan 8.230 nan 0.000 0.425 283 T N 1.251 115.815 114.554 0.017 0.000 2.845 283 T HA 0.269 4.619 4.350 -0.000 0.000 0.288 283 T C 0.409 175.102 174.700 -0.011 0.000 0.980 283 T CA -0.533 61.571 62.100 0.007 0.000 1.071 283 T CB 1.104 69.983 68.868 0.019 0.000 0.941 283 T HN 0.686 nan 8.240 nan 0.000 0.487 284 T N 0.314 114.819 114.554 -0.080 0.000 2.898 284 T HA 0.428 4.777 4.350 -0.000 0.000 0.301 284 T C 1.393 176.059 174.700 -0.056 0.000 1.049 284 T CA -0.117 61.916 62.100 -0.112 0.000 1.095 284 T CB 0.512 69.199 68.868 -0.301 0.000 0.976 284 T HN 1.006 nan 8.240 nan 0.000 0.539 285 G N 1.346 110.116 108.800 -0.051 0.000 2.321 285 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.287 285 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.287 285 G C -0.167 174.690 174.900 -0.072 0.000 1.018 285 G CA 0.604 45.664 45.100 -0.066 0.000 0.855 285 G HN 1.064 nan 8.290 nan 0.000 0.507 286 I N -1.415 119.125 120.570 -0.050 0.000 3.074 286 I HA 0.406 4.576 4.170 -0.000 0.000 0.310 286 I C -1.220 174.925 176.117 0.046 0.000 1.153 286 I CA -1.182 60.108 61.300 -0.018 0.000 0.993 286 I CB 1.893 39.903 38.000 0.016 0.000 1.237 286 I HN -0.130 nan 8.210 nan 0.000 0.443 287 D N 4.465 124.917 120.400 0.088 0.000 2.316 287 D HA 0.237 4.877 4.640 -0.000 0.000 0.245 287 D C -0.647 175.753 176.300 0.166 0.000 1.171 287 D CA 0.083 54.218 54.000 0.225 0.000 0.856 287 D CB 0.593 41.502 40.800 0.182 0.000 1.090 287 D HN 0.299 nan 8.370 nan 0.000 0.476 288 N N 3.327 122.150 118.700 0.205 0.000 2.439 288 N HA 0.195 4.935 4.740 -0.000 0.000 0.249 288 N C -0.313 175.288 175.510 0.152 0.000 1.003 288 N CA -0.305 52.834 53.050 0.148 0.000 0.942 288 N CB 1.449 40.026 38.487 0.150 0.000 1.115 288 N HN 0.271 nan 8.380 nan 0.000 0.505 289 L N 2.452 123.734 121.223 0.099 0.000 2.276 289 L HA 0.458 4.797 4.340 -0.000 0.000 0.286 289 L C 0.518 177.446 176.870 0.098 0.000 1.061 289 L CA -0.097 54.794 54.840 0.084 0.000 0.807 289 L CB 0.935 43.021 42.059 0.045 0.000 1.177 289 L HN 0.342 nan 8.230 nan 0.000 0.429 290 M N 6.108 125.791 119.600 0.138 0.000 2.016 290 M HA 0.326 4.805 4.480 -0.000 0.000 0.315 290 M C -2.515 173.908 176.300 0.204 0.000 0.930 290 M CA -1.545 53.870 55.300 0.190 0.000 0.899 290 M CB 1.799 34.583 32.600 0.306 0.000 1.401 290 M HN 0.218 nan 8.290 nan 0.000 0.386 291 P HA 0.336 nan 4.420 nan 0.000 0.282 291 P C -1.310 176.212 177.300 0.369 0.000 1.249 291 P CA -0.063 63.093 63.100 0.094 0.000 0.806 291 P CB 0.651 32.376 31.700 0.042 0.000 0.984 292 F N 1.319 121.275 119.950 0.009 0.000 2.482 292 F HA 0.416 4.943 4.527 -0.000 0.000 0.331 292 F C 1.001 176.806 175.800 0.008 0.000 1.115 292 F CA -0.834 57.169 58.000 0.005 0.000 0.955 292 F CB 2.034 41.040 39.000 0.010 0.000 1.136 292 F HN 0.181 nan 8.300 nan 0.000 0.452 293 N N 4.664 123.489 118.700 0.208 0.000 2.725 293 N HA 0.297 5.037 4.740 -0.000 0.000 0.248 293 N C -1.527 174.036 175.510 0.088 0.000 1.402 293 N CA -0.095 53.030 53.050 0.125 0.000 0.766 293 N CB 0.869 39.405 38.487 0.082 0.000 1.223 293 N HN 0.562 nan 8.380 nan 0.000 0.515 294 L N 0.983 122.260 121.223 0.091 0.000 2.289 294 L HA 0.613 4.953 4.340 -0.000 0.000 0.285 294 L C -0.030 176.874 176.870 0.056 0.000 1.049 294 L CA -0.936 53.933 54.840 0.048 0.000 0.804 294 L CB 1.913 43.981 42.059 0.016 0.000 1.195 294 L HN -0.157 nan 8.230 nan 0.000 0.428 295 V N 4.703 124.645 119.914 0.047 0.000 2.407 295 V HA 0.372 4.491 4.120 -0.000 0.000 0.291 295 V C -0.251 175.870 176.094 0.044 0.000 1.018 295 V CA -0.313 62.026 62.300 0.065 0.000 0.842 295 V CB 1.986 33.853 31.823 0.074 0.000 0.996 295 V HN 0.465 nan 8.190 nan 0.000 0.426 296 I N 8.865 129.460 120.570 0.041 0.000 2.330 296 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 296 I C -2.033 174.108 176.117 0.041 0.000 1.025 296 I CA -1.933 59.382 61.300 0.025 0.000 1.197 296 I CB 1.660 39.664 38.000 0.006 0.000 1.358 296 I HN 0.423 nan 8.210 nan 0.000 0.467 297 P HA 0.122 nan 4.420 nan 0.000 0.275 297 P C 0.568 177.886 177.300 0.030 0.000 1.228 297 P CA -0.213 62.912 63.100 0.042 0.000 0.786 297 P CB 1.040 32.758 31.700 0.029 0.000 0.927 298 T N 1.386 115.962 114.554 0.036 0.000 2.685 298 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 298 T C 1.582 176.287 174.700 0.009 0.000 1.034 298 T CA 2.078 64.192 62.100 0.023 0.000 1.149 298 T CB -0.861 68.026 68.868 0.031 0.000 0.860 298 T HN 0.618 nan 8.240 nan 0.000 0.449 299 N N 1.386 120.093 118.700 0.012 0.000 2.443 299 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 299 N C 1.516 177.028 175.510 0.004 0.000 1.037 299 N CA 0.860 53.915 53.050 0.009 0.000 0.896 299 N CB -0.275 38.218 38.487 0.011 0.000 0.959 299 N HN 0.499 nan 8.380 nan 0.000 0.442 300 E N 0.149 120.351 120.200 0.003 0.000 2.385 300 E HA 0.180 4.529 4.350 -0.000 0.000 0.194 300 E C 0.026 176.618 176.600 -0.013 0.000 1.013 300 E CA -0.136 56.263 56.400 -0.002 0.000 0.866 300 E CB 0.230 29.930 29.700 -0.001 0.000 0.832 300 E HN 0.343 nan 8.360 nan 0.000 0.500 301 I N 1.756 122.314 120.570 -0.019 0.000 2.347 301 I HA -0.031 4.139 4.170 -0.000 0.000 0.294 301 I C 1.487 177.566 176.117 -0.062 0.000 1.090 301 I CA 0.030 61.306 61.300 -0.041 0.000 1.314 301 I CB 1.308 39.285 38.000 -0.038 0.000 1.423 301 I HN 0.017 nan 8.210 nan 0.000 0.503 302 T N 2.061 116.561 114.554 -0.091 0.000 3.065 302 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 302 T C 0.396 174.913 174.700 -0.306 0.000 1.099 302 T CA 0.058 62.088 62.100 -0.117 0.000 1.063 302 T CB 0.090 68.915 68.868 -0.071 0.000 0.948 302 T HN 0.704 nan 8.240 nan 0.000 0.506 303 Q N -0.325 119.255 119.800 -0.367 0.000 2.522 303 Q HA 0.552 4.891 4.340 -0.000 0.000 0.285 303 Q C -3.444 172.421 176.000 -0.225 0.000 0.982 303 Q CA -2.342 53.111 55.803 -0.584 0.000 0.805 303 Q CB 0.790 28.786 28.738 -1.237 0.000 1.457 303 Q HN -0.097 nan 8.270 nan 0.000 0.394 304 P HA 0.048 nan 4.420 nan 0.000 0.264 304 P C -0.873 176.455 177.300 0.046 0.000 1.183 304 P CA 0.471 63.585 63.100 0.023 0.000 0.763 304 P CB 0.346 32.142 31.700 0.159 0.000 0.807 305 I N 2.648 123.237 120.570 0.031 0.000 2.365 305 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 305 I C 1.269 177.424 176.117 0.065 0.000 1.004 305 I CA 0.241 61.562 61.300 0.035 0.000 1.311 305 I CB 1.245 39.251 38.000 0.010 0.000 1.401 305 I HN 0.415 nan 8.210 nan 0.000 0.491 306 T N -0.450 114.144 114.554 0.067 0.000 3.058 306 T HA 0.267 4.616 4.350 -0.000 0.000 0.278 306 T C 0.171 174.882 174.700 0.017 0.000 0.974 306 T CA -0.175 61.969 62.100 0.074 0.000 0.893 306 T CB 0.051 69.007 68.868 0.145 0.000 1.138 306 T HN 0.597 nan 8.240 nan 0.000 0.529 307 S N 0.467 116.164 115.700 -0.005 0.000 2.565 307 S HA 0.741 5.211 4.470 -0.000 0.000 0.269 307 S C -1.517 173.070 174.600 -0.022 0.000 1.153 307 S CA -1.041 57.145 58.200 -0.024 0.000 0.835 307 S CB 1.844 65.032 63.200 -0.021 0.000 1.122 307 S HN 0.458 nan 8.310 nan 0.000 0.462 308 I N 1.242 121.800 120.570 -0.019 0.000 2.647 308 I HA 0.711 4.880 4.170 -0.000 0.000 0.295 308 I C -1.608 174.451 176.117 -0.096 0.000 1.078 308 I CA -0.698 60.588 61.300 -0.023 0.000 1.048 308 I CB 1.849 39.856 38.000 0.012 0.000 1.239 308 I HN 1.022 nan 8.210 nan 0.000 0.421 309 K N 6.385 126.688 120.400 -0.161 0.000 2.502 309 K HA 0.571 4.891 4.320 -0.000 0.000 0.257 309 K C -2.218 174.171 176.600 -0.351 0.000 0.938 309 K CA -0.922 55.161 56.287 -0.341 0.000 0.819 309 K CB 2.540 34.950 32.500 -0.151 0.000 1.333 309 K HN 0.463 nan 8.250 nan 0.000 0.434 310 L N 1.062 121.926 121.223 -0.597 0.000 2.341 310 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 310 L C -1.014 175.746 176.870 -0.183 0.000 1.005 310 L CA -0.050 54.550 54.840 -0.400 0.000 0.818 310 L CB 1.734 43.513 42.059 -0.468 0.000 1.259 310 L HN 0.899 nan 8.230 nan 0.000 0.418 311 E N 4.349 124.494 120.200 -0.091 0.000 2.199 311 E HA 0.589 4.939 4.350 -0.000 0.000 0.269 311 E C -1.443 175.140 176.600 -0.029 0.000 0.899 311 E CA -0.639 55.766 56.400 0.008 0.000 0.772 311 E CB 1.692 31.487 29.700 0.158 0.000 1.155 311 E HN 0.640 nan 8.360 nan 0.000 0.408 312 I N 3.340 123.918 120.570 0.013 0.000 2.465 312 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 312 I C -0.968 175.152 176.117 0.006 0.000 1.014 312 I CA -0.962 60.332 61.300 -0.011 0.000 1.093 312 I CB 2.090 40.107 38.000 0.029 0.000 1.267 312 I HN 0.235 nan 8.210 nan 0.000 0.431 313 V N 4.685 124.582 119.914 -0.028 0.000 2.350 313 V HA 0.358 4.477 4.120 -0.000 0.000 0.285 313 V C -0.151 175.942 176.094 -0.002 0.000 1.014 313 V CA -0.465 61.838 62.300 0.005 0.000 0.831 313 V CB 1.650 33.477 31.823 0.006 0.000 1.000 313 V HN 0.725 nan 8.190 nan 0.000 0.433 314 T N 3.835 118.423 114.554 0.057 0.000 2.767 314 T HA 0.551 4.901 4.350 -0.000 0.000 0.288 314 T C -0.014 174.787 174.700 0.168 0.000 0.963 314 T CA -0.398 61.777 62.100 0.124 0.000 1.019 314 T CB 1.063 70.076 68.868 0.241 0.000 0.923 314 T HN 0.674 nan 8.240 nan 0.000 0.468 315 S N 2.693 118.483 115.700 0.149 0.000 2.526 315 S HA 0.542 5.012 4.470 -0.000 0.000 0.293 315 S C -0.500 174.210 174.600 0.182 0.000 1.092 315 S CA -1.109 57.209 58.200 0.197 0.000 0.980 315 S CB 2.023 65.313 63.200 0.150 0.000 1.048 315 S HN 0.668 nan 8.310 nan 0.000 0.483 316 K N 1.694 122.226 120.400 0.221 0.000 2.562 316 K HA 0.307 4.627 4.320 -0.000 0.000 0.206 316 K C 0.902 177.408 176.600 -0.157 0.000 1.033 316 K CA -0.232 56.087 56.287 0.053 0.000 1.029 316 K CB 0.526 33.064 32.500 0.064 0.000 1.393 316 K HN 0.614 nan 8.250 nan 0.000 0.539 317 S N 2.708 118.366 115.700 -0.069 0.000 2.343 317 S HA -0.127 4.343 4.470 -0.000 0.000 0.219 317 S C 1.762 176.264 174.600 -0.163 0.000 1.033 317 S CA 2.043 60.175 58.200 -0.112 0.000 1.014 317 S CB -0.562 62.622 63.200 -0.026 0.000 0.915 317 S HN 0.809 nan 8.310 nan 0.000 0.435 318 G N 0.994 109.742 108.800 -0.086 0.000 3.026 318 G HA2 0.037 3.997 3.960 -0.000 0.000 0.247 318 G HA3 0.037 3.997 3.960 -0.000 0.000 0.247 318 G C 0.976 175.814 174.900 -0.104 0.000 1.106 318 G CA 0.858 45.919 45.100 -0.066 0.000 0.754 318 G HN 1.882 nan 8.290 nan 0.000 0.899 319 G N -1.885 106.843 108.800 -0.120 0.000 3.445 319 G HA2 0.431 4.391 3.960 -0.000 0.000 0.686 319 G HA3 0.431 4.391 3.960 -0.000 0.000 0.686 319 G C -0.634 174.231 174.900 -0.057 0.000 1.113 319 G CA 0.716 45.743 45.100 -0.121 0.000 0.974 319 G HN 1.402 nan 8.290 nan 0.000 0.492 320 Q N 1.413 121.191 119.800 -0.036 0.000 2.567 320 Q HA 0.677 5.017 4.340 -0.000 0.000 0.233 320 Q C 0.164 176.164 176.000 -0.001 0.000 0.833 320 Q CA 0.339 56.134 55.803 -0.013 0.000 0.844 320 Q CB 1.143 29.885 28.738 0.006 0.000 1.423 320 Q HN 2.333 nan 8.270 nan 0.000 0.442 321 A N 2.472 125.291 122.820 -0.002 0.000 2.581 321 A HA 0.334 4.653 4.320 -0.000 0.000 0.257 321 A C 1.423 179.013 177.584 0.011 0.000 1.022 321 A CA 1.576 53.616 52.037 0.006 0.000 0.812 321 A CB -0.965 18.037 19.000 0.003 0.000 0.918 321 A HN 1.930 nan 8.150 nan 0.000 0.516 322 G N 2.246 111.055 108.800 0.015 0.000 2.284 322 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.230 322 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.230 322 G C 0.149 175.060 174.900 0.018 0.000 1.021 322 G CA 0.400 45.508 45.100 0.014 0.000 0.619 322 G HN 0.871 nan 8.290 nan 0.000 0.510 323 D N 2.045 122.459 120.400 0.024 0.000 2.399 323 D HA 0.510 5.150 4.640 -0.000 0.000 0.241 323 D C 1.024 177.345 176.300 0.035 0.000 1.133 323 D CA 0.602 54.622 54.000 0.034 0.000 0.890 323 D CB 0.652 41.479 40.800 0.046 0.000 1.201 323 D HN 0.759 nan 8.370 nan 0.000 0.432 324 Q N 0.592 120.412 119.800 0.033 0.000 2.633 324 Q HA 0.564 4.904 4.340 -0.000 0.000 0.292 324 Q C -0.701 175.332 176.000 0.055 0.000 1.089 324 Q CA -1.041 54.782 55.803 0.034 0.000 0.811 324 Q CB 1.244 29.976 28.738 -0.009 0.000 1.472 324 Q HN 0.316 nan 8.270 nan 0.000 0.464 325 M N 1.923 121.563 119.600 0.067 0.000 2.180 325 M HA 0.386 4.866 4.480 -0.000 0.000 0.358 325 M C -0.823 175.501 176.300 0.039 0.000 1.233 325 M CA 0.019 55.400 55.300 0.135 0.000 1.114 325 M CB 1.358 34.115 32.600 0.261 0.000 1.594 325 M HN 0.857 nan 8.290 nan 0.000 0.467 326 S N 3.787 119.550 115.700 0.105 0.000 2.558 326 S HA 0.756 5.226 4.470 -0.000 0.000 0.277 326 S C -1.795 172.916 174.600 0.185 0.000 1.143 326 S CA -1.080 57.117 58.200 -0.004 0.000 0.865 326 S CB 1.354 64.508 63.200 -0.076 0.000 1.102 326 S HN 0.960 nan 8.310 nan 0.000 0.454 327 W N -0.207 121.276 121.300 0.306 0.000 3.005 327 W HA 0.763 5.423 4.660 -0.000 0.000 0.343 327 W C -1.462 175.183 176.519 0.210 0.000 1.243 327 W CA -0.847 56.653 57.345 0.259 0.000 1.186 327 W CB 1.077 30.728 29.460 0.319 0.000 1.453 327 W HN 0.775 nan 8.180 nan 0.000 0.575 328 S N 0.532 116.620 115.700 0.647 0.000 2.513 328 S HA 0.839 5.309 4.470 -0.000 0.000 0.299 328 S C -0.829 173.935 174.600 0.273 0.000 1.087 328 S CA -0.253 58.189 58.200 0.404 0.000 1.012 328 S CB 1.399 64.721 63.200 0.204 0.000 1.044 328 S HN 0.807 nan 8.310 nan 0.000 0.485 329 A N 2.467 125.385 122.820 0.164 0.000 2.498 329 A HA 0.892 5.212 4.320 -0.000 0.000 0.298 329 A C -0.850 176.632 177.584 -0.169 0.000 1.075 329 A CA -0.587 51.291 52.037 -0.266 0.000 0.714 329 A CB 1.866 20.515 19.000 -0.586 0.000 1.299 329 A HN 0.665 nan 8.150 nan 0.000 0.407 330 S N -1.006 114.513 115.700 -0.302 0.000 2.546 330 S HA 0.930 5.400 4.470 -0.000 0.000 0.274 330 S C -0.332 174.147 174.600 -0.202 0.000 1.121 330 S CA -0.012 58.082 58.200 -0.177 0.000 0.887 330 S CB 2.108 65.215 63.200 -0.154 0.000 1.094 330 S HN 2.148 nan 8.310 nan 0.000 0.474 331 G N 0.854 109.577 108.800 -0.128 0.000 2.402 331 G HA2 0.480 4.440 3.960 -0.000 0.000 0.301 331 G HA3 0.480 4.440 3.960 -0.000 0.000 0.301 331 G C -1.630 173.213 174.900 -0.095 0.000 1.615 331 G CA -0.532 44.491 45.100 -0.128 0.000 0.889 331 G HN 0.636 nan 8.290 nan 0.000 0.647 332 S N -0.710 114.917 115.700 -0.122 0.000 2.548 332 S HA 0.835 5.305 4.470 -0.000 0.000 0.286 332 S C -0.582 173.946 174.600 -0.119 0.000 1.098 332 S CA -0.725 57.414 58.200 -0.100 0.000 0.930 332 S CB 1.594 64.741 63.200 -0.089 0.000 1.070 332 S HN 1.227 nan 8.310 nan 0.000 0.480 333 L N 0.061 121.260 121.223 -0.039 0.000 2.333 333 L HA 1.086 5.426 4.340 -0.000 0.000 0.263 333 L C -0.533 176.361 176.870 0.039 0.000 1.014 333 L CA -1.171 53.676 54.840 0.012 0.000 0.820 333 L CB 1.223 43.430 42.059 0.247 0.000 1.352 333 L HN 0.625 nan 8.230 nan 0.000 0.421 334 A N 1.190 124.045 122.820 0.058 0.000 2.319 334 A HA 0.795 5.114 4.320 -0.000 0.000 0.310 334 A C -0.908 176.741 177.584 0.109 0.000 1.152 334 A CA -0.620 51.460 52.037 0.071 0.000 0.783 334 A CB 1.343 20.365 19.000 0.037 0.000 1.184 334 A HN 0.566 nan 8.150 nan 0.000 0.474 335 V N 2.852 122.854 119.914 0.148 0.000 2.350 335 V HA 0.403 4.523 4.120 -0.000 0.000 0.276 335 V C 0.190 176.362 176.094 0.131 0.000 1.028 335 V CA -0.093 62.299 62.300 0.155 0.000 0.860 335 V CB 1.295 33.241 31.823 0.205 0.000 0.990 335 V HN 0.872 nan 8.190 nan 0.000 0.453 336 T N 6.787 121.363 114.554 0.036 0.000 2.770 336 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 336 T C -0.118 174.470 174.700 -0.188 0.000 0.997 336 T CA -0.257 61.822 62.100 -0.035 0.000 0.949 336 T CB 0.406 69.272 68.868 -0.003 0.000 0.941 336 T HN 0.299 nan 8.240 nan 0.000 0.457 337 I N 4.795 125.307 120.570 -0.097 0.000 2.287 337 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 337 I C 0.598 176.666 176.117 -0.082 0.000 1.069 337 I CA -0.940 60.293 61.300 -0.111 0.000 1.237 337 I CB -0.209 37.809 38.000 0.030 0.000 1.418 337 I HN 0.557 nan 8.210 nan 0.000 0.481 338 H N 5.320 124.419 119.070 0.048 0.000 3.157 338 H HA 0.065 4.621 4.556 -0.000 0.000 0.299 338 H C 1.543 176.889 175.328 0.030 0.000 0.961 338 H CA 0.956 57.025 56.048 0.034 0.000 1.428 338 H CB 0.198 29.976 29.762 0.026 0.000 1.459 338 H HN 0.937 nan 8.280 nan 0.000 0.566 339 G N 2.670 111.559 108.800 0.149 0.000 2.175 339 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.265 339 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.265 339 G C 1.621 176.580 174.900 0.100 0.000 0.979 339 G CA 0.870 46.030 45.100 0.099 0.000 0.663 339 G HN 0.889 nan 8.290 nan 0.000 0.533 340 G N 0.241 109.089 108.800 0.080 0.000 2.450 340 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 340 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 340 G C 1.307 176.241 174.900 0.055 0.000 1.130 340 G CA 1.371 46.509 45.100 0.063 0.000 0.760 340 G HN 0.528 nan 8.290 nan 0.000 0.557 341 N N -0.852 117.876 118.700 0.045 0.000 2.322 341 N HA 0.062 4.801 4.740 -0.000 0.000 0.194 341 N C -0.308 175.225 175.510 0.040 0.000 1.126 341 N CA -0.468 52.593 53.050 0.017 0.000 0.845 341 N CB -0.066 38.408 38.487 -0.021 0.000 0.976 341 N HN 0.431 nan 8.380 nan 0.000 0.475 342 Y N 2.883 123.167 120.300 -0.027 0.000 2.605 342 Y HA 0.145 4.695 4.550 -0.000 0.000 0.336 342 Y C -2.109 173.765 175.900 -0.042 0.000 1.111 342 Y CA -2.000 56.080 58.100 -0.034 0.000 1.422 342 Y CB 0.452 38.885 38.460 -0.045 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.071 nan 4.420 nan 0.000 0.260 343 P C 0.541 177.759 177.300 -0.136 0.000 1.185 343 P CA 1.984 64.919 63.100 -0.274 0.000 0.763 343 P CB 0.410 31.907 31.700 -0.339 0.000 0.776 344 G N 3.050 111.860 108.800 0.017 0.000 2.259 344 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 344 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 344 G C 1.181 176.185 174.900 0.174 0.000 1.001 344 G CA 0.327 45.495 45.100 0.113 0.000 0.627 344 G HN 0.631 nan 8.290 nan 0.000 0.501 345 A N -0.259 122.656 122.820 0.159 0.000 1.969 345 A HA 0.543 4.863 4.320 -0.000 0.000 0.218 345 A C 2.249 179.938 177.584 0.174 0.000 1.169 345 A CA 2.004 54.105 52.037 0.106 0.000 0.635 345 A CB -0.187 18.864 19.000 0.086 0.000 0.810 345 A HN 0.886 nan 8.150 nan 0.000 0.445 346 L N -2.447 118.867 121.223 0.152 0.000 2.885 346 L HA 0.210 4.550 4.340 -0.000 0.000 0.251 346 L C 0.847 177.838 176.870 0.202 0.000 1.071 346 L CA -0.068 54.862 54.840 0.151 0.000 0.956 346 L CB 0.323 42.453 42.059 0.118 0.000 1.483 346 L HN 0.431 nan 8.230 nan 0.000 0.525 347 R N 1.026 121.607 120.500 0.134 0.000 2.803 347 R HA 0.577 4.917 4.340 -0.000 0.000 0.276 347 R C -2.969 173.376 176.300 0.075 0.000 0.978 347 R CA -1.689 54.462 56.100 0.084 0.000 0.939 347 R CB 1.833 32.121 30.300 -0.021 0.000 1.179 347 R HN -0.272 nan 8.270 nan 0.000 0.472 348 P HA 0.260 nan 4.420 nan 0.000 0.297 348 P C -0.856 176.527 177.300 0.138 0.000 1.307 348 P CA -0.597 62.521 63.100 0.030 0.000 0.773 348 P CB 1.027 32.716 31.700 -0.018 0.000 1.265 349 V N -0.739 119.258 119.914 0.138 0.000 2.789 349 V HA 0.386 4.506 4.120 -0.000 0.000 0.311 349 V C -0.221 175.938 176.094 0.109 0.000 1.073 349 V CA -0.286 62.100 62.300 0.143 0.000 0.921 349 V CB 2.186 34.120 31.823 0.186 0.000 1.009 349 V HN 0.529 nan 8.190 nan 0.000 0.426 350 T N 6.001 120.593 114.554 0.064 0.000 2.786 350 T HA 0.618 4.968 4.350 -0.000 0.000 0.283 350 T C -0.574 174.159 174.700 0.055 0.000 0.992 350 T CA -0.271 61.880 62.100 0.084 0.000 0.954 350 T CB 0.667 69.602 68.868 0.112 0.000 0.934 350 T HN 0.339 nan 8.240 nan 0.000 0.440 351 L N 3.358 124.588 121.223 0.012 0.000 2.309 351 L HA 0.721 5.061 4.340 -0.000 0.000 0.282 351 L C -0.537 176.337 176.870 0.006 0.000 1.036 351 L CA -1.136 53.672 54.840 -0.053 0.000 0.806 351 L CB 1.695 43.691 42.059 -0.104 0.000 1.220 351 L HN 0.293 nan 8.230 nan 0.000 0.429 352 V N 2.509 122.431 119.914 0.012 0.000 2.376 352 V HA 0.618 4.737 4.120 -0.000 0.000 0.287 352 V C 0.079 176.221 176.094 0.080 0.000 1.015 352 V CA -0.431 61.921 62.300 0.086 0.000 0.834 352 V CB 1.560 33.501 31.823 0.198 0.000 1.001 352 V HN 0.877 nan 8.190 nan 0.000 0.428 353 A N 5.393 128.258 122.820 0.076 0.000 2.337 353 A HA 0.972 5.291 4.320 -0.000 0.000 0.329 353 A C -1.074 176.708 177.584 0.330 0.000 1.146 353 A CA -0.494 51.610 52.037 0.111 0.000 0.800 353 A CB 1.175 20.222 19.000 0.079 0.000 1.220 353 A HN 1.048 nan 8.150 nan 0.000 0.472 354 Y N -0.416 120.086 120.300 0.337 0.000 2.545 354 Y HA 0.793 5.342 4.550 -0.000 0.000 0.348 354 Y C -0.484 175.477 175.900 0.102 0.000 1.002 354 Y CA -1.024 57.236 58.100 0.267 0.000 1.039 354 Y CB 1.337 39.888 38.460 0.152 0.000 1.271 354 Y HN 0.886 nan 8.280 nan 0.000 0.467 355 E N 1.069 121.301 120.200 0.053 0.000 2.412 355 E HA 0.569 4.919 4.350 -0.000 0.000 0.279 355 E C -0.683 175.873 176.600 -0.074 0.000 0.984 355 E CA -1.266 55.048 56.400 -0.143 0.000 0.788 355 E CB 1.542 30.904 29.700 -0.562 0.000 1.277 355 E HN 0.606 nan 8.360 nan 0.000 0.455 356 R N -0.680 119.793 120.500 -0.046 0.000 3.878 356 R HA -0.095 4.245 4.340 -0.000 0.000 0.330 356 R C -0.662 175.648 176.300 0.017 0.000 1.186 356 R CA 0.783 56.866 56.100 -0.028 0.000 0.885 356 R CB -2.804 27.459 30.300 -0.062 0.000 1.377 356 R HN 0.451 nan 8.270 nan 0.000 0.523 357 V N 1.299 121.254 119.914 0.067 0.000 2.498 357 V HA 0.493 4.613 4.120 -0.000 0.000 0.279 357 V C 1.324 177.436 176.094 0.032 0.000 1.048 357 V CA -0.205 62.122 62.300 0.045 0.000 0.967 357 V CB 1.668 33.511 31.823 0.033 0.000 0.988 357 V HN 0.390 nan 8.190 nan 0.000 0.473 358 A N 4.074 126.900 122.820 0.010 0.000 2.566 358 A HA 0.223 4.542 4.320 -0.000 0.000 0.245 358 A C 0.830 178.422 177.584 0.013 0.000 1.056 358 A CA 0.199 52.241 52.037 0.008 0.000 0.757 358 A CB -0.428 18.572 19.000 0.000 0.000 0.979 358 A HN 0.865 nan 8.150 nan 0.000 0.508 359 T N 2.142 116.708 114.554 0.021 0.000 2.933 359 T HA 0.385 4.734 4.350 -0.000 0.000 0.306 359 T C 1.608 176.317 174.700 0.016 0.000 1.045 359 T CA 1.638 63.754 62.100 0.027 0.000 1.143 359 T CB 0.387 69.269 68.868 0.023 0.000 1.003 359 T HN 2.075 nan 8.240 nan 0.000 0.540 360 G N 2.880 111.691 108.800 0.018 0.000 2.199 360 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 360 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 360 G C 0.488 175.387 174.900 -0.003 0.000 0.982 360 G CA 0.150 45.256 45.100 0.010 0.000 0.632 360 G HN 0.788 nan 8.290 nan 0.000 0.529 361 S N -0.977 114.715 115.700 -0.013 0.000 2.617 361 S HA 0.555 5.025 4.470 -0.000 0.000 0.259 361 S C 0.453 175.024 174.600 -0.050 0.000 1.301 361 S CA 0.062 58.242 58.200 -0.033 0.000 0.984 361 S CB 1.921 65.093 63.200 -0.047 0.000 0.954 361 S HN 0.763 nan 8.310 nan 0.000 0.572 362 V N 1.925 121.803 119.914 -0.059 0.000 2.417 362 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 362 V C -0.412 175.617 176.094 -0.108 0.000 1.024 362 V CA -0.628 61.631 62.300 -0.068 0.000 0.861 362 V CB 1.564 33.362 31.823 -0.041 0.000 0.985 362 V HN 0.598 nan 8.190 nan 0.000 0.436 363 V N 4.338 124.156 119.914 -0.160 0.000 2.350 363 V HA 0.338 4.457 4.120 -0.000 0.000 0.276 363 V C 0.467 176.493 176.094 -0.113 0.000 1.028 363 V CA -0.104 62.077 62.300 -0.198 0.000 0.860 363 V CB 1.779 33.374 31.823 -0.379 0.000 0.990 363 V HN 0.961 nan 8.190 nan 0.000 0.453 364 T N 5.268 119.787 114.554 -0.060 0.000 2.799 364 T HA 0.531 4.881 4.350 -0.000 0.000 0.286 364 T C -0.232 174.482 174.700 0.024 0.000 0.973 364 T CA -0.234 61.858 62.100 -0.014 0.000 1.035 364 T CB 1.384 70.245 68.868 -0.012 0.000 0.932 364 T HN 0.344 nan 8.240 nan 0.000 0.469 365 V N 2.580 122.538 119.914 0.074 0.000 2.495 365 V HA 0.830 4.950 4.120 -0.000 0.000 0.298 365 V C -0.153 176.006 176.094 0.109 0.000 1.031 365 V CA -0.844 61.535 62.300 0.130 0.000 0.871 365 V CB 1.477 33.443 31.823 0.238 0.000 0.988 365 V HN 1.064 nan 8.190 nan 0.000 0.432 366 A N 3.372 126.230 122.820 0.063 0.000 2.408 366 A HA 0.987 5.307 4.320 -0.000 0.000 0.295 366 A C -0.151 177.431 177.584 -0.002 0.000 1.040 366 A CA 0.089 52.142 52.037 0.027 0.000 0.707 366 A CB 1.822 20.823 19.000 0.003 0.000 1.235 366 A HN 1.306 nan 8.150 nan 0.000 0.418 367 G N -0.353 108.450 108.800 0.005 0.000 2.600 367 G HA2 0.640 4.600 3.960 -0.000 0.000 0.293 367 G HA3 0.640 4.600 3.960 -0.000 0.000 0.293 367 G C -1.816 173.077 174.900 -0.013 0.000 1.408 367 G CA -0.405 44.676 45.100 -0.032 0.000 0.782 367 G HN 1.223 nan 8.290 nan 0.000 0.482 368 V N -0.023 119.866 119.914 -0.041 0.000 2.789 368 V HA 0.751 4.871 4.120 -0.000 0.000 0.311 368 V C -0.283 175.766 176.094 -0.076 0.000 1.073 368 V CA -0.748 61.534 62.300 -0.031 0.000 0.921 368 V CB 1.954 33.755 31.823 -0.037 0.000 1.009 368 V HN 0.764 nan 8.190 nan 0.000 0.426 369 S N 3.548 119.198 115.700 -0.083 0.000 2.502 369 S HA 0.566 5.036 4.470 -0.000 0.000 0.304 369 S C -0.717 173.600 174.600 -0.471 0.000 1.097 369 S CA -0.788 57.234 58.200 -0.297 0.000 1.045 369 S CB 1.163 64.234 63.200 -0.215 0.000 1.019 369 S HN 0.757 nan 8.310 nan 0.000 0.481 370 N N 2.073 120.415 118.700 -0.597 0.000 2.372 370 N HA 0.626 5.365 4.740 -0.000 0.000 0.291 370 N C -1.407 173.756 175.510 -0.578 0.000 1.024 370 N CA -0.193 52.613 53.050 -0.407 0.000 0.873 370 N CB 1.282 39.676 38.487 -0.155 0.000 1.206 370 N HN 0.390 nan 8.380 nan 0.000 0.486 371 F N -0.241 119.721 119.950 0.020 0.000 2.603 371 F HA 0.387 4.914 4.527 -0.000 0.000 0.317 371 F C 0.494 176.297 175.800 0.005 0.000 1.066 371 F CA -0.930 57.065 58.000 -0.008 0.000 0.941 371 F CB 1.725 40.693 39.000 -0.054 0.000 1.291 371 F HN 0.115 nan 8.300 nan 0.000 0.472 372 E N 2.380 122.699 120.200 0.198 0.000 2.175 372 E HA 0.678 5.028 4.350 -0.000 0.000 0.278 372 E C -1.271 175.461 176.600 0.220 0.000 0.969 372 E CA -0.568 55.924 56.400 0.152 0.000 0.796 372 E CB 2.070 31.651 29.700 -0.199 0.000 1.104 372 E HN 0.430 nan 8.360 nan 0.000 0.395 373 L N 3.066 124.453 121.223 0.273 0.000 2.393 373 L HA 0.575 4.915 4.340 -0.000 0.000 0.260 373 L C -0.676 176.377 176.870 0.306 0.000 1.002 373 L CA -0.793 54.152 54.840 0.175 0.000 0.818 373 L CB 1.979 43.840 42.059 -0.330 0.000 1.369 373 L HN 0.431 nan 8.230 nan 0.000 0.412 374 I N 3.503 124.277 120.570 0.339 0.000 2.389 374 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 374 I C -2.174 174.173 176.117 0.383 0.000 0.999 374 I CA -1.860 59.610 61.300 0.283 0.000 1.129 374 I CB 2.231 40.345 38.000 0.190 0.000 1.288 374 I HN 0.289 nan 8.210 nan 0.000 0.444 375 P HA 0.058 nan 4.420 nan 0.000 0.272 375 P C -1.028 176.294 177.300 0.036 0.000 1.230 375 P CA -0.356 62.823 63.100 0.132 0.000 0.788 375 P CB 0.476 32.186 31.700 0.017 0.000 0.949 376 N N 1.994 120.645 118.700 -0.083 0.000 2.317 376 N HA 0.075 4.815 4.740 -0.000 0.000 0.245 376 N C -1.937 173.546 175.510 -0.044 0.000 1.294 376 N CA -1.494 51.525 53.050 -0.052 0.000 0.924 376 N CB -1.592 36.843 38.487 -0.087 0.000 1.186 376 N HN 0.172 nan 8.380 nan 0.000 0.495 377 P HA -0.139 nan 4.420 nan 0.000 0.216 377 P C 0.971 178.250 177.300 -0.036 0.000 1.150 377 P CA 1.456 64.542 63.100 -0.023 0.000 0.837 377 P CB 0.166 31.856 31.700 -0.017 0.000 0.786 378 E N -0.846 119.325 120.200 -0.049 0.000 2.072 378 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 378 E C 1.758 178.320 176.600 -0.062 0.000 0.982 378 E CA 0.650 57.020 56.400 -0.050 0.000 0.803 378 E CB -1.093 28.576 29.700 -0.052 0.000 0.755 378 E HN 0.002 nan 8.360 nan 0.000 0.453 379 L N 0.038 121.204 121.223 -0.094 0.000 2.217 379 L HA 0.096 4.436 4.340 -0.000 0.000 0.211 379 L C 1.959 178.788 176.870 -0.068 0.000 1.107 379 L CA 1.706 56.479 54.840 -0.112 0.000 0.783 379 L CB -0.778 41.146 42.059 -0.225 0.000 0.919 379 L HN 0.150 nan 8.230 nan 0.000 0.442 380 A N -0.772 122.018 122.820 -0.050 0.000 2.070 380 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 380 A C 2.193 179.765 177.584 -0.021 0.000 1.159 380 A CA 1.542 53.566 52.037 -0.023 0.000 0.656 380 A CB -0.510 18.482 19.000 -0.013 0.000 0.800 380 A HN 0.519 nan 8.150 nan 0.000 0.453 381 K N -0.447 119.938 120.400 -0.025 0.000 2.365 381 K HA -0.014 4.306 4.320 -0.000 0.000 0.199 381 K C 0.271 176.861 176.600 -0.017 0.000 1.045 381 K CA 0.973 57.248 56.287 -0.020 0.000 0.962 381 K CB 0.012 32.499 32.500 -0.021 0.000 0.759 381 K HN 0.439 nan 8.250 nan 0.000 0.469 382 N N 0.089 118.778 118.700 -0.018 0.000 2.143 382 N HA 0.030 4.770 4.740 -0.000 0.000 0.229 382 N C -1.040 174.468 175.510 -0.004 0.000 1.294 382 N CA -0.089 52.955 53.050 -0.011 0.000 0.883 382 N CB 0.999 39.478 38.487 -0.013 0.000 1.148 382 N HN -0.009 nan 8.380 nan 0.000 0.511 383 L N 2.450 123.672 121.223 -0.002 0.000 2.345 383 L HA 0.456 4.796 4.340 -0.000 0.000 0.274 383 L C -0.502 176.376 176.870 0.012 0.000 0.999 383 L CA -0.858 53.992 54.840 0.017 0.000 0.849 383 L CB 1.057 43.136 42.059 0.032 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.422 384 V N 3.749 123.666 119.914 0.005 0.000 2.715 384 V HA 0.448 4.568 4.120 -0.000 0.000 0.299 384 V C 0.790 176.868 176.094 -0.027 0.000 1.054 384 V CA -0.124 62.167 62.300 -0.015 0.000 1.077 384 V CB 1.217 33.029 31.823 -0.018 0.000 0.972 384 V HN 0.903 nan 8.190 nan 0.000 0.484 385 T N 1.863 116.379 114.554 -0.063 0.000 2.912 385 T HA 0.810 5.159 4.350 -0.000 0.000 0.288 385 T C -0.863 173.721 174.700 -0.193 0.000 1.030 385 T CA -0.871 61.161 62.100 -0.112 0.000 1.020 385 T CB 2.390 71.198 68.868 -0.101 0.000 1.056 385 T HN 0.676 nan 8.240 nan 0.000 0.480 386 E N 0.964 120.999 120.200 -0.276 0.000 2.446 386 E HA 0.249 4.599 4.350 -0.000 0.000 0.276 386 E C -0.322 176.067 176.600 -0.352 0.000 0.969 386 E CA -0.863 55.366 56.400 -0.286 0.000 0.800 386 E CB 1.174 30.785 29.700 -0.148 0.000 1.341 386 E HN 0.733 nan 8.360 nan 0.000 0.460 387 Y N 0.842 121.102 120.300 -0.067 0.000 2.457 387 Y HA 0.171 4.721 4.550 -0.000 0.000 0.292 387 Y C 1.313 177.244 175.900 0.051 0.000 1.125 387 Y CA 1.209 59.316 58.100 0.012 0.000 1.254 387 Y CB 0.492 38.966 38.460 0.024 0.000 1.012 387 Y HN 0.804 nan 8.280 nan 0.000 0.555 388 G N 1.369 110.242 108.800 0.122 0.000 3.039 388 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.686 388 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.686 388 G C -0.604 174.402 174.900 0.175 0.000 1.066 388 G CA -0.642 44.542 45.100 0.141 0.000 0.774 388 G HN 0.522 nan 8.290 nan 0.000 0.591 389 R N 1.063 121.649 120.500 0.143 0.000 2.489 389 R HA 0.133 4.472 4.340 -0.000 0.000 0.287 389 R C -0.015 176.410 176.300 0.210 0.000 0.902 389 R CA 0.098 56.288 56.100 0.149 0.000 1.136 389 R CB 0.183 30.546 30.300 0.104 0.000 0.872 389 R HN 1.130 nan 8.270 nan 0.000 0.421 390 F N 3.409 123.381 119.950 0.036 0.000 2.438 390 F HA 0.254 4.781 4.527 -0.001 0.000 0.356 390 F C -0.557 175.255 175.800 0.019 0.000 1.099 390 F CA -1.094 56.919 58.000 0.022 0.000 1.185 390 F CB 1.078 40.086 39.000 0.012 0.000 1.115 390 F HN 0.735 nan 8.300 nan 0.000 0.526 391 D N 8.442 128.619 120.400 -0.372 0.000 2.429 391 D HA 0.313 4.953 4.640 -0.000 0.000 0.255 391 D C -1.874 174.120 176.300 -0.510 0.000 1.257 391 D CA -1.866 51.900 54.000 -0.390 0.000 0.890 391 D CB 1.313 42.044 40.800 -0.116 0.000 1.267 391 D HN 0.211 nan 8.370 nan 0.000 0.521 392 P HA -0.127 nan 4.420 nan 0.000 0.219 392 P C 1.099 178.286 177.300 -0.188 0.000 1.158 392 P CA 1.458 64.228 63.100 -0.551 0.000 0.895 392 P CB 0.378 31.796 31.700 -0.471 0.000 0.792 393 G N -2.337 106.379 108.800 -0.140 0.000 3.393 393 G HA2 0.287 4.246 3.960 -0.000 0.000 0.255 393 G HA3 0.287 4.246 3.960 -0.000 0.000 0.255 393 G C 1.309 176.235 174.900 0.043 0.000 1.097 393 G CA 0.506 45.591 45.100 -0.025 0.000 0.780 393 G HN 0.315 nan 8.290 nan 0.000 0.540 394 A N 0.860 123.686 122.820 0.010 0.000 1.883 394 A HA -0.066 4.253 4.320 -0.000 0.000 0.217 394 A C 2.182 179.855 177.584 0.148 0.000 1.186 394 A CA 2.089 54.184 52.037 0.098 0.000 0.624 394 A CB -0.247 18.787 19.000 0.057 0.000 0.822 394 A HN 0.399 nan 8.150 nan 0.000 0.444 395 M N 0.479 120.115 119.600 0.059 0.000 2.132 395 M HA -0.076 4.403 4.480 -0.000 0.000 0.263 395 M C 1.519 177.887 176.300 0.113 0.000 1.065 395 M CA 1.618 56.951 55.300 0.055 0.000 1.122 395 M CB -0.871 31.729 32.600 0.001 0.000 1.365 395 M HN 0.411 nan 8.290 nan 0.000 0.411 396 N N -0.992 117.775 118.700 0.112 0.000 2.166 396 N HA -0.195 4.545 4.740 -0.000 0.000 0.186 396 N C 1.766 177.361 175.510 0.142 0.000 1.019 396 N CA 1.438 54.556 53.050 0.114 0.000 0.856 396 N CB -0.550 38.000 38.487 0.105 0.000 0.993 396 N HN 0.457 nan 8.380 nan 0.000 0.426 397 Y N 2.161 122.504 120.300 0.072 0.000 2.181 397 Y HA -0.159 4.391 4.550 -0.000 0.000 0.288 397 Y C 2.439 178.416 175.900 0.128 0.000 1.146 397 Y CA 1.445 59.598 58.100 0.088 0.000 1.164 397 Y CB -0.584 37.926 38.460 0.084 0.000 0.982 397 Y HN 0.031 nan 8.280 nan 0.000 0.515 398 T N 0.225 114.907 114.554 0.214 0.000 2.684 398 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 398 T C 1.835 176.617 174.700 0.137 0.000 1.036 398 T CA 1.886 64.118 62.100 0.220 0.000 1.148 398 T CB -0.200 68.875 68.868 0.346 0.000 0.863 398 T HN 0.289 nan 8.240 nan 0.000 0.436 399 K N 0.501 120.973 120.400 0.119 0.000 2.097 399 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 399 K C 2.266 178.878 176.600 0.020 0.000 1.049 399 K CA 0.856 57.192 56.287 0.082 0.000 0.933 399 K CB -0.413 32.134 32.500 0.078 0.000 0.717 399 K HN 0.168 nan 8.250 nan 0.000 0.442 400 L N 1.687 122.889 121.223 -0.035 0.000 2.027 400 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 400 L C 1.980 178.789 176.870 -0.102 0.000 1.074 400 L CA 1.527 56.314 54.840 -0.089 0.000 0.745 400 L CB -0.394 41.565 42.059 -0.167 0.000 0.898 400 L HN 0.046 nan 8.230 nan 0.000 0.433 401 I N -0.292 120.188 120.570 -0.151 0.000 2.163 401 I HA -0.319 3.850 4.170 -0.000 0.000 0.243 401 I C 2.623 178.747 176.117 0.011 0.000 1.085 401 I CA 1.641 62.900 61.300 -0.069 0.000 1.347 401 I CB -1.455 36.534 38.000 -0.019 0.000 1.044 401 I HN 0.315 nan 8.210 nan 0.000 0.408 402 L N 0.609 121.851 121.223 0.031 0.000 2.141 402 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 402 L C 2.724 179.602 176.870 0.014 0.000 1.094 402 L CA 1.496 56.358 54.840 0.036 0.000 0.763 402 L CB -0.591 41.500 42.059 0.054 0.000 0.908 402 L HN 0.326 nan 8.230 nan 0.000 0.437 403 S N -0.547 115.157 115.700 0.007 0.000 2.453 403 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 403 S C 1.505 176.104 174.600 -0.002 0.000 1.005 403 S CA 0.781 58.981 58.200 -0.000 0.000 0.949 403 S CB -0.068 63.131 63.200 -0.001 0.000 0.774 403 S HN 0.376 nan 8.310 nan 0.000 0.510 404 E N 0.990 121.191 120.200 0.001 0.000 2.451 404 E HA 0.175 4.525 4.350 -0.000 0.000 0.194 404 E C 1.516 178.129 176.600 0.021 0.000 1.027 404 E CA -0.247 56.158 56.400 0.008 0.000 0.914 404 E CB -0.108 29.596 29.700 0.006 0.000 1.054 404 E HN 0.551 nan 8.360 nan 0.000 0.461 405 R N 1.294 121.802 120.500 0.013 0.000 2.119 405 R HA -0.229 4.111 4.340 -0.000 0.000 0.246 405 R C 1.103 177.396 176.300 -0.011 0.000 1.146 405 R CA 1.669 57.773 56.100 0.008 0.000 0.962 405 R CB 0.298 30.590 30.300 -0.013 0.000 0.863 405 R HN -0.011 nan 8.270 nan 0.000 0.442 406 E N -0.351 119.838 120.200 -0.018 0.000 2.107 406 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 406 E C 2.087 178.681 176.600 -0.010 0.000 0.982 406 E CA 0.760 57.142 56.400 -0.029 0.000 0.809 406 E CB -0.078 29.605 29.700 -0.028 0.000 0.756 406 E HN 0.136 nan 8.360 nan 0.000 0.459 407 R N -0.058 120.448 120.500 0.009 0.000 2.092 407 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 407 R C 2.056 178.385 176.300 0.048 0.000 1.119 407 R CA 0.812 56.925 56.100 0.023 0.000 0.970 407 R CB -0.327 29.988 30.300 0.024 0.000 0.864 407 R HN 0.266 nan 8.270 nan 0.000 0.440 408 L N -0.943 120.324 121.223 0.072 0.000 2.446 408 L HA 0.154 4.494 4.340 -0.000 0.000 0.219 408 L C 1.083 178.056 176.870 0.172 0.000 1.116 408 L CA 0.563 55.491 54.840 0.146 0.000 0.844 408 L CB -0.037 42.133 42.059 0.186 0.000 0.970 408 L HN 0.324 nan 8.230 nan 0.000 0.457 409 G N 1.376 110.207 108.800 0.053 0.000 2.221 409 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.265 409 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.265 409 G C 0.180 174.971 174.900 -0.181 0.000 1.041 409 G CA -0.214 44.857 45.100 -0.049 0.000 0.807 409 G HN 0.307 nan 8.290 nan 0.000 0.502 410 I N 0.735 121.239 120.570 -0.111 0.000 2.347 410 I HA 0.187 4.357 4.170 -0.000 0.000 0.294 410 I C 0.907 176.792 176.117 -0.387 0.000 1.090 410 I CA 0.199 61.396 61.300 -0.173 0.000 1.314 410 I CB 0.363 38.388 38.000 0.042 0.000 1.423 410 I HN 0.101 nan 8.210 nan 0.000 0.503 411 K N 3.675 123.541 120.400 -0.889 0.000 2.139 411 K HA 0.403 4.723 4.320 -0.000 0.000 0.243 411 K C 0.995 177.304 176.600 -0.486 0.000 0.983 411 K CA -0.613 55.138 56.287 -0.893 0.000 0.890 411 K CB 1.368 32.950 32.500 -1.530 0.000 1.090 411 K HN 0.557 nan 8.250 nan 0.000 0.445 412 T N -3.206 111.159 114.554 -0.314 0.000 3.037 412 T HA 0.073 4.423 4.350 -0.000 0.000 0.252 412 T C 0.663 175.313 174.700 -0.083 0.000 1.073 412 T CA -0.165 61.865 62.100 -0.117 0.000 1.091 412 T CB -0.119 68.698 68.868 -0.085 0.000 0.935 412 T HN 0.384 nan 8.240 nan 0.000 0.488 413 V N -1.641 118.156 119.914 -0.195 0.000 2.638 413 V HA 0.842 4.962 4.120 -0.000 0.000 0.306 413 V C -1.906 174.117 176.094 -0.119 0.000 1.052 413 V CA -1.678 60.584 62.300 -0.063 0.000 0.885 413 V CB 1.087 32.884 31.823 -0.043 0.000 0.999 413 V HN 0.360 nan 8.190 nan 0.000 0.424 414 W N 2.988 124.230 121.300 -0.097 0.000 2.950 414 W HA 0.757 5.416 4.660 -0.001 0.000 0.340 414 W C -2.908 173.604 176.519 -0.013 0.000 1.139 414 W CA -2.482 54.834 57.345 -0.048 0.000 1.188 414 W CB 1.662 31.111 29.460 -0.017 0.000 1.426 414 W HN 0.326 nan 8.180 nan 0.000 0.531 415 P HA 0.150 nan 4.420 nan 0.000 0.281 415 P C 0.789 178.217 177.300 0.214 0.000 1.252 415 P CA 0.184 63.395 63.100 0.186 0.000 0.778 415 P CB 0.984 32.774 31.700 0.151 0.000 0.895 416 T N 2.336 116.976 114.554 0.143 0.000 2.737 416 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 416 T C 1.698 176.473 174.700 0.126 0.000 1.040 416 T CA 1.383 63.557 62.100 0.123 0.000 1.142 416 T CB -0.330 68.582 68.868 0.072 0.000 0.861 416 T HN 0.428 nan 8.240 nan 0.000 0.456 417 R N 0.658 121.223 120.500 0.108 0.000 2.091 417 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 417 R C 2.574 178.937 176.300 0.104 0.000 1.136 417 R CA 1.478 57.631 56.100 0.088 0.000 0.959 417 R CB -0.147 30.199 30.300 0.077 0.000 0.856 417 R HN 0.523 nan 8.270 nan 0.000 0.437 418 E N -0.888 119.411 120.200 0.165 0.000 2.107 418 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 418 E C 1.533 178.244 176.600 0.184 0.000 0.982 418 E CA 0.870 57.401 56.400 0.219 0.000 0.809 418 E CB -0.045 29.847 29.700 0.319 0.000 0.756 418 E HN 0.319 nan 8.360 nan 0.000 0.459 419 Y N 1.109 121.376 120.300 -0.055 0.000 2.242 419 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 419 Y C 2.280 178.021 175.900 -0.264 0.000 1.137 419 Y CA 1.586 59.349 58.100 -0.561 0.000 1.181 419 Y CB -0.308 37.696 38.460 -0.761 0.000 0.989 419 Y HN -0.082 nan 8.280 nan 0.000 0.527 420 T N 0.165 114.619 114.554 -0.166 0.000 2.777 420 T HA -0.151 4.198 4.350 -0.000 0.000 0.266 420 T C 1.367 176.000 174.700 -0.111 0.000 1.040 420 T CA 1.584 63.588 62.100 -0.159 0.000 1.141 420 T CB -0.306 68.543 68.868 -0.032 0.000 0.868 420 T HN 0.352 nan 8.240 nan 0.000 0.444 421 D N 0.599 120.987 120.400 -0.020 0.000 2.123 421 D HA -0.074 4.566 4.640 -0.000 0.000 0.196 421 D C 1.675 178.006 176.300 0.052 0.000 0.992 421 D CA 0.793 54.815 54.000 0.037 0.000 0.833 421 D CB -0.470 40.369 40.800 0.065 0.000 0.954 421 D HN 0.380 nan 8.370 nan 0.000 0.455 422 F N 1.714 121.572 119.950 -0.154 0.000 2.161 422 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 422 F C 2.290 177.995 175.800 -0.160 0.000 1.089 422 F CA 1.334 59.251 58.000 -0.138 0.000 1.282 422 F CB 0.098 38.922 39.000 -0.293 0.000 1.010 422 F HN -0.193 nan 8.300 nan 0.000 0.485 423 R N 0.288 120.658 120.500 -0.217 0.000 2.075 423 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 423 R C 2.158 178.399 176.300 -0.098 0.000 1.126 423 R CA 1.812 57.766 56.100 -0.244 0.000 0.963 423 R CB -0.467 29.640 30.300 -0.321 0.000 0.858 423 R HN 0.420 nan 8.270 nan 0.000 0.435 424 E N -0.185 119.983 120.200 -0.053 0.000 2.031 424 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 424 E C 1.646 178.250 176.600 0.008 0.000 0.994 424 E CA 1.216 57.613 56.400 -0.005 0.000 0.800 424 E CB -0.199 29.516 29.700 0.026 0.000 0.752 424 E HN 0.301 nan 8.360 nan 0.000 0.447 425 Y N -0.592 119.636 120.300 -0.120 0.000 2.556 425 Y HA -0.222 4.328 4.550 -0.000 0.000 0.290 425 Y C 1.743 177.540 175.900 -0.172 0.000 1.149 425 Y CA 1.162 59.181 58.100 -0.135 0.000 1.329 425 Y CB 0.005 38.385 38.460 -0.133 0.000 0.975 425 Y HN 0.096 nan 8.280 nan 0.000 0.561 426 F N -0.977 118.827 119.950 -0.244 0.000 2.343 426 F HA 0.013 4.540 4.527 -0.000 0.000 0.286 426 F C 1.833 177.530 175.800 -0.172 0.000 1.057 426 F CA 0.781 58.620 58.000 -0.268 0.000 1.365 426 F CB -0.241 38.522 39.000 -0.395 0.000 1.114 426 F HN -0.174 nan 8.300 nan 0.000 0.545 427 M N 0.418 120.078 119.600 0.100 0.000 2.748 427 M HA -0.062 4.417 4.480 -0.000 0.000 0.241 427 M C 0.787 177.023 176.300 -0.107 0.000 1.080 427 M CA 1.008 56.322 55.300 0.023 0.000 1.068 427 M CB -0.334 32.294 32.600 0.048 0.000 1.536 427 M HN 0.319 nan 8.290 nan 0.000 0.540 428 E N -0.664 119.426 120.200 -0.183 0.000 2.831 428 E HA 0.160 4.510 4.350 -0.000 0.000 0.254 428 E C 0.599 177.040 176.600 -0.264 0.000 1.015 428 E CA -0.335 55.936 56.400 -0.215 0.000 1.016 428 E CB 0.256 29.802 29.700 -0.256 0.000 2.665 428 E HN 0.009 nan 8.360 nan 0.000 0.583 429 V N 0.000 119.732 119.914 -0.304 0.000 2.409 429 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 429 V CA 0.000 62.140 62.300 -0.266 0.000 1.235 429 V CB 0.000 31.689 31.823 -0.224 0.000 1.184 429 V HN 0.000 nan 8.190 nan 0.000 0.556