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 1byb_1_A DATA FIRST_RESID 5 DATA SEQUENCE SNMLLNYVPV YVMLPLGVVN VDNVFEDPDG LKEQLLQLRA AGVDGVMVDV DATA SEQUENCE WWGIIELKGP KQYDWRAYRS LFQLVQECGL TLQAIMSFHQ CGGNVGDIVN DATA SEQUENCE IPIPQWVLDI GESNHDIFYT NRSGTRNKEY LTVGVDNEPI FHGRTAIEIY DATA SEQUENCE SDYMKSFREN MSDFLESGLI IDIEVGLGPA GELRYPSYPQ SQGWEFPRIG DATA SEQUENCE EFQCYDKYLK ADFKAAVARA GHPEWELPDD AGKYNDVPES TGFFKSNGTY DATA SEQUENCE VTEKGKFFLT WYSNKLLNHG DQILDEANKA FLGCKVKLAI KVSGIHWWYK DATA SEQUENCE VENHAAELTA GYYNLNDRDG YRPIARMLSR HHAILNFTCL EMRDSEQPSD DATA SEQUENCE AKSGPQELVQ QVLSGGWRED IRVAGENALP RYDATAYNQI ILNAKPQGVN DATA SEQUENCE NNGPPKLSMF GVTYLRLSDD LLQKSNFNIF KKFVLKMHAD QDYCANPQKY DATA SEQUENCE NHAITPLKPS APKIPIEVLL EATKPTLPFP WLPETDMKVD G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.585 174.600 -0.025 0.000 1.055 5 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 5 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 6 N N 1.029 119.714 118.700 -0.026 0.000 2.525 6 N HA 0.223 4.963 4.740 -0.000 0.000 0.271 6 N C 1.450 176.944 175.510 -0.025 0.000 1.194 6 N CA -0.540 52.493 53.050 -0.027 0.000 0.964 6 N CB 0.307 38.776 38.487 -0.032 0.000 1.126 6 N HN 0.560 nan 8.380 nan 0.000 0.452 7 M N 2.068 121.651 119.600 -0.028 0.000 2.195 7 M HA -0.181 4.298 4.480 -0.000 0.000 0.260 7 M C 1.615 177.904 176.300 -0.018 0.000 1.066 7 M CA 1.273 56.557 55.300 -0.027 0.000 1.089 7 M CB -0.846 31.737 32.600 -0.029 0.000 1.377 7 M HN 0.733 nan 8.290 nan 0.000 0.411 8 L N -0.162 121.047 121.223 -0.023 0.000 2.187 8 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 8 L C 2.069 178.945 176.870 0.009 0.000 1.100 8 L CA 0.772 55.596 54.840 -0.026 0.000 0.765 8 L CB -0.290 41.731 42.059 -0.063 0.000 0.904 8 L HN 0.298 nan 8.230 nan 0.000 0.437 9 L N -0.548 120.682 121.223 0.011 0.000 2.549 9 L HA -0.157 4.183 4.340 -0.000 0.000 0.229 9 L C 1.681 178.572 176.870 0.034 0.000 1.158 9 L CA 0.524 55.386 54.840 0.037 0.000 0.842 9 L CB -0.413 41.653 42.059 0.012 0.000 0.952 9 L HN 0.356 nan 8.230 nan 0.000 0.452 10 N N -1.264 117.442 118.700 0.009 0.000 2.280 10 N HA -0.051 4.689 4.740 -0.000 0.000 0.192 10 N C 0.156 175.653 175.510 -0.022 0.000 1.109 10 N CA -0.022 53.018 53.050 -0.017 0.000 0.855 10 N CB 0.405 38.865 38.487 -0.044 0.000 0.974 10 N HN 0.201 nan 8.380 nan 0.000 0.482 11 Y N 2.017 122.186 120.300 -0.220 0.000 2.544 11 Y HA 0.051 4.600 4.550 -0.001 0.000 0.330 11 Y C -0.125 175.517 175.900 -0.431 0.000 1.136 11 Y CA 0.114 57.976 58.100 -0.397 0.000 1.417 11 Y CB 0.510 38.546 38.460 -0.707 0.000 1.229 11 Y HN -0.298 nan 8.280 nan 0.000 0.532 12 V N 9.509 129.218 119.914 -0.341 0.000 2.384 12 V HA 0.345 4.465 4.120 -0.000 0.000 0.287 12 V C -2.120 173.731 176.094 -0.406 0.000 1.020 12 V CA -2.111 60.034 62.300 -0.259 0.000 0.850 12 V CB 1.404 33.141 31.823 -0.143 0.000 0.987 12 V HN 0.700 nan 8.190 nan 0.000 0.436 13 P HA 0.247 nan 4.420 nan 0.000 0.272 13 P C -0.875 176.195 177.300 -0.383 0.000 1.223 13 P CA -0.093 62.826 63.100 -0.301 0.000 0.784 13 P CB 1.093 32.675 31.700 -0.197 0.000 0.923 14 V N 3.418 123.027 119.914 -0.508 0.000 2.487 14 V HA 0.352 4.472 4.120 -0.000 0.000 0.298 14 V C -0.504 175.291 176.094 -0.499 0.000 1.028 14 V CA -0.424 61.620 62.300 -0.427 0.000 0.860 14 V CB 0.727 32.236 31.823 -0.524 0.000 0.991 14 V HN 0.401 nan 8.190 nan 0.000 0.427 15 Y N 2.771 123.160 120.300 0.148 0.000 2.528 15 Y HA 0.790 5.340 4.550 -0.001 0.000 0.335 15 Y C 0.003 176.062 175.900 0.265 0.000 1.093 15 Y CA -1.177 57.030 58.100 0.179 0.000 1.134 15 Y CB 2.013 40.560 38.460 0.145 0.000 1.253 15 Y HN 0.330 nan 8.280 nan 0.000 0.478 16 V N 3.058 123.210 119.914 0.396 0.000 2.588 16 V HA 0.343 4.463 4.120 -0.000 0.000 0.304 16 V C -0.309 175.949 176.094 0.273 0.000 1.042 16 V CA -1.125 61.399 62.300 0.373 0.000 0.877 16 V CB 1.663 33.681 31.823 0.325 0.000 0.996 16 V HN 0.731 nan 8.190 nan 0.000 0.425 17 M N 4.726 124.466 119.600 0.233 0.000 2.238 17 M HA 0.388 4.868 4.480 -0.000 0.000 0.347 17 M C -0.260 176.132 176.300 0.153 0.000 1.173 17 M CA 0.062 55.458 55.300 0.160 0.000 1.147 17 M CB 0.547 33.216 32.600 0.114 0.000 1.547 17 M HN 0.416 nan 8.290 nan 0.000 0.455 18 L N 3.123 124.428 121.223 0.137 0.000 2.466 18 L HA 0.336 4.675 4.340 -0.000 0.000 0.257 18 L C -1.969 174.983 176.870 0.137 0.000 1.189 18 L CA -1.970 52.950 54.840 0.133 0.000 0.813 18 L CB 0.079 42.214 42.059 0.127 0.000 1.118 18 L HN 0.333 nan 8.230 nan 0.000 0.471 19 P HA 0.075 nan 4.420 nan 0.000 0.267 19 P C -0.588 176.812 177.300 0.166 0.000 1.200 19 P CA -0.081 63.097 63.100 0.130 0.000 0.772 19 P CB 0.360 32.127 31.700 0.112 0.000 0.855 20 L N 1.637 122.964 121.223 0.174 0.000 2.461 20 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 20 L C 1.735 178.715 176.870 0.184 0.000 1.197 20 L CA 0.604 55.588 54.840 0.241 0.000 0.836 20 L CB -0.659 41.517 42.059 0.196 0.000 1.105 20 L HN 0.774 nan 8.230 nan 0.000 0.477 21 G N 1.633 110.567 108.800 0.225 0.000 2.148 21 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 21 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 21 G C 0.719 175.693 174.900 0.122 0.000 0.981 21 G CA 0.416 45.584 45.100 0.115 0.000 0.670 21 G HN 0.591 nan 8.290 nan 0.000 0.528 22 V N -0.653 119.350 119.914 0.148 0.000 2.568 22 V HA 0.093 4.212 4.120 -0.000 0.000 0.253 22 V C 1.352 177.521 176.094 0.125 0.000 1.072 22 V CA 2.181 64.565 62.300 0.140 0.000 1.084 22 V CB 0.059 31.949 31.823 0.111 0.000 0.676 22 V HN 0.487 nan 8.190 nan 0.000 0.469 23 V N 2.762 122.689 119.914 0.023 0.000 2.384 23 V HA 0.391 4.511 4.120 -0.000 0.000 0.287 23 V C 0.047 176.172 176.094 0.052 0.000 1.020 23 V CA -0.550 61.729 62.300 -0.034 0.000 0.850 23 V CB 1.481 33.082 31.823 -0.370 0.000 0.987 23 V HN 0.783 nan 8.190 nan 0.000 0.436 24 N N 4.034 122.766 118.700 0.053 0.000 2.418 24 N HA 0.204 4.944 4.740 -0.000 0.000 0.283 24 N C 1.099 176.622 175.510 0.022 0.000 1.267 24 N CA -0.105 52.963 53.050 0.030 0.000 0.975 24 N CB 0.460 38.959 38.487 0.021 0.000 1.167 24 N HN 0.358 nan 8.380 nan 0.000 0.581 25 V N -4.093 115.811 119.914 -0.017 0.000 2.867 25 V HA -0.082 4.038 4.120 -0.000 0.000 0.260 25 V C 0.490 176.588 176.094 0.006 0.000 1.099 25 V CA 1.658 63.943 62.300 -0.025 0.000 1.122 25 V CB -0.741 31.045 31.823 -0.061 0.000 0.708 25 V HN 0.551 nan 8.190 nan 0.000 0.490 26 D N 0.684 121.092 120.400 0.014 0.000 2.319 26 D HA 0.069 4.708 4.640 -0.000 0.000 0.230 26 D C 0.814 177.138 176.300 0.041 0.000 1.094 26 D CA 0.481 54.494 54.000 0.022 0.000 0.856 26 D CB -0.494 40.315 40.800 0.016 0.000 0.915 26 D HN 0.772 nan 8.370 nan 0.000 0.517 27 N N 0.085 118.820 118.700 0.059 0.000 2.758 27 N HA -0.172 4.567 4.740 -0.000 0.000 0.248 27 N C -1.285 174.264 175.510 0.065 0.000 1.076 27 N CA -0.205 52.893 53.050 0.080 0.000 0.696 27 N CB -0.515 38.023 38.487 0.085 0.000 0.979 27 N HN -0.093 nan 8.380 nan 0.000 0.550 28 V N 2.273 122.223 119.914 0.060 0.000 2.487 28 V HA 0.368 4.488 4.120 -0.000 0.000 0.298 28 V C -0.094 176.075 176.094 0.125 0.000 1.028 28 V CA -0.713 61.632 62.300 0.075 0.000 0.860 28 V CB 1.278 33.130 31.823 0.048 0.000 0.991 28 V HN 0.231 nan 8.190 nan 0.000 0.427 29 F N 4.864 124.782 119.950 -0.053 0.000 2.464 29 F HA 0.361 4.888 4.527 -0.000 0.000 0.353 29 F C 1.346 177.127 175.800 -0.032 0.000 1.191 29 F CA -0.641 57.319 58.000 -0.067 0.000 1.147 29 F CB 0.120 39.073 39.000 -0.078 0.000 1.294 29 F HN 0.722 nan 8.300 nan 0.000 0.583 30 E N 2.426 122.713 120.200 0.145 0.000 2.023 30 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 30 E C -0.017 176.485 176.600 -0.163 0.000 1.003 30 E CA 1.631 58.023 56.400 -0.014 0.000 0.809 30 E CB 0.045 29.769 29.700 0.040 0.000 0.755 30 E HN 0.538 nan 8.360 nan 0.000 0.449 31 D N -0.798 119.476 120.400 -0.209 0.000 2.405 31 D HA 0.121 4.761 4.640 -0.000 0.000 0.264 31 D C -2.186 173.915 176.300 -0.331 0.000 1.240 31 D CA -2.025 51.839 54.000 -0.228 0.000 0.893 31 D CB 1.109 41.862 40.800 -0.078 0.000 1.198 31 D HN -0.237 nan 8.370 nan 0.000 0.514 32 P HA -0.067 nan 4.420 nan 0.000 0.218 32 P C 0.923 178.128 177.300 -0.159 0.000 1.149 32 P CA 0.736 63.484 63.100 -0.586 0.000 0.817 32 P CB 0.522 31.831 31.700 -0.652 0.000 0.785 33 D N -0.403 119.911 120.400 -0.143 0.000 2.097 33 D HA -0.091 4.548 4.640 -0.000 0.000 0.197 33 D C 2.276 178.558 176.300 -0.029 0.000 0.984 33 D CA 1.710 55.672 54.000 -0.063 0.000 0.826 33 D CB -0.817 39.946 40.800 -0.062 0.000 0.973 33 D HN 0.142 nan 8.370 nan 0.000 0.460 34 G N 1.350 110.128 108.800 -0.035 0.000 2.446 34 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 34 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 34 G C 1.666 176.580 174.900 0.024 0.000 1.168 34 G CA 0.524 45.619 45.100 -0.009 0.000 0.771 34 G HN 0.206 nan 8.290 nan 0.000 0.551 35 L N 0.881 122.141 121.223 0.062 0.000 2.042 35 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 35 L C 2.691 179.621 176.870 0.100 0.000 1.076 35 L CA 2.467 57.378 54.840 0.118 0.000 0.749 35 L CB -0.524 41.683 42.059 0.246 0.000 0.893 35 L HN 0.271 nan 8.230 nan 0.000 0.432 36 K N -0.815 119.639 120.400 0.089 0.000 2.044 36 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 36 K C 1.957 178.586 176.600 0.048 0.000 1.049 36 K CA 1.784 58.117 56.287 0.076 0.000 0.927 36 K CB -0.082 32.453 32.500 0.059 0.000 0.713 36 K HN 0.313 nan 8.250 nan 0.000 0.443 37 E N 0.857 121.073 120.200 0.026 0.000 2.110 37 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 37 E C 2.123 178.723 176.600 -0.001 0.000 0.988 37 E CA 1.237 57.642 56.400 0.008 0.000 0.804 37 E CB -0.151 29.544 29.700 -0.008 0.000 0.745 37 E HN 0.476 nan 8.360 nan 0.000 0.458 38 Q N 0.240 120.041 119.800 0.002 0.000 2.020 38 Q HA -0.089 4.250 4.340 -0.000 0.000 0.202 38 Q C 2.529 178.543 176.000 0.024 0.000 0.982 38 Q CA 1.113 56.908 55.803 -0.012 0.000 0.838 38 Q CB -0.258 28.480 28.738 0.000 0.000 0.899 38 Q HN 0.262 nan 8.270 nan 0.000 0.423 39 L N 0.536 121.793 121.223 0.056 0.000 2.081 39 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 39 L C 2.383 179.292 176.870 0.065 0.000 1.080 39 L CA 1.001 55.885 54.840 0.073 0.000 0.754 39 L CB -0.631 41.480 42.059 0.086 0.000 0.893 39 L HN 0.270 nan 8.230 nan 0.000 0.433 40 L N -0.808 120.446 121.223 0.052 0.000 2.083 40 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 40 L C 2.905 179.812 176.870 0.061 0.000 1.083 40 L CA 1.120 55.988 54.840 0.046 0.000 0.752 40 L CB -0.585 41.496 42.059 0.037 0.000 0.899 40 L HN 0.369 nan 8.230 nan 0.000 0.433 41 Q N 0.005 119.843 119.800 0.064 0.000 2.084 41 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 41 Q C 2.389 178.556 176.000 0.278 0.000 0.978 41 Q CA 1.408 57.291 55.803 0.132 0.000 0.844 41 Q CB -0.264 28.458 28.738 -0.027 0.000 0.898 41 Q HN 0.565 nan 8.270 nan 0.000 0.426 42 L N 0.252 121.604 121.223 0.215 0.000 2.046 42 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 42 L C 2.628 179.557 176.870 0.098 0.000 1.077 42 L CA 1.128 56.107 54.840 0.231 0.000 0.747 42 L CB -0.470 41.693 42.059 0.175 0.000 0.896 42 L HN 0.133 nan 8.230 nan 0.000 0.432 43 R N 1.060 121.581 120.500 0.036 0.000 2.105 43 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 43 R C 2.118 178.366 176.300 -0.086 0.000 1.135 43 R CA 1.710 57.767 56.100 -0.072 0.000 0.967 43 R CB -0.517 29.756 30.300 -0.044 0.000 0.861 43 R HN 0.310 nan 8.270 nan 0.000 0.442 44 A N -0.216 122.607 122.820 0.006 0.000 2.067 44 A HA 0.185 4.505 4.320 -0.000 0.000 0.217 44 A C 2.171 179.751 177.584 -0.007 0.000 1.156 44 A CA 1.106 53.150 52.037 0.012 0.000 0.683 44 A CB -0.561 18.477 19.000 0.063 0.000 0.808 44 A HN 0.456 nan 8.150 nan 0.000 0.455 45 A N -1.705 121.114 122.820 -0.002 0.000 2.167 45 A HA 0.389 4.709 4.320 -0.000 0.000 0.214 45 A C 1.796 179.297 177.584 -0.138 0.000 1.151 45 A CA 1.359 53.328 52.037 -0.115 0.000 0.735 45 A CB -0.682 18.226 19.000 -0.154 0.000 0.802 45 A HN 1.777 nan 8.150 nan 0.000 0.467 46 G N -1.845 106.882 108.800 -0.121 0.000 2.159 46 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.227 46 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.227 46 G C 0.152 175.017 174.900 -0.057 0.000 0.986 46 G CA -0.040 45.001 45.100 -0.097 0.000 0.651 46 G HN 0.727 nan 8.290 nan 0.000 0.523 47 V N 1.067 120.920 119.914 -0.103 0.000 2.599 47 V HA 0.177 4.297 4.120 -0.000 0.000 0.300 47 V C 1.562 177.625 176.094 -0.051 0.000 1.034 47 V CA 1.319 63.590 62.300 -0.048 0.000 1.115 47 V CB 1.028 32.891 31.823 0.066 0.000 0.934 47 V HN 0.418 nan 8.190 nan 0.000 0.485 48 D N 2.461 122.853 120.400 -0.013 0.000 2.149 48 D HA 0.256 4.896 4.640 -0.000 0.000 0.201 48 D C 0.862 177.226 176.300 0.107 0.000 0.972 48 D CA 1.432 55.486 54.000 0.089 0.000 0.835 48 D CB 0.140 40.925 40.800 -0.026 0.000 0.966 48 D HN 0.785 nan 8.370 nan 0.000 0.476 49 G N -1.105 107.765 108.800 0.116 0.000 2.548 49 G HA2 0.507 4.467 3.960 -0.000 0.000 0.301 49 G HA3 0.507 4.467 3.960 -0.000 0.000 0.301 49 G C -1.608 173.518 174.900 0.376 0.000 1.349 49 G CA -0.365 44.944 45.100 0.349 0.000 0.792 49 G HN 0.218 nan 8.290 nan 0.000 0.481 50 V N -2.691 117.398 119.914 0.291 0.000 3.102 50 V HA 0.910 5.029 4.120 -0.000 0.000 0.312 50 V C -0.315 175.864 176.094 0.142 0.000 1.135 50 V CA -1.101 61.332 62.300 0.223 0.000 1.022 50 V CB 2.000 33.914 31.823 0.152 0.000 1.056 50 V HN 1.103 nan 8.190 nan 0.000 0.436 51 M N 2.516 122.188 119.600 0.121 0.000 2.465 51 M HA 0.865 5.345 4.480 -0.000 0.000 0.316 51 M C -2.023 174.311 176.300 0.058 0.000 1.121 51 M CA -0.719 54.609 55.300 0.046 0.000 0.934 51 M CB 2.018 34.640 32.600 0.037 0.000 1.692 51 M HN 0.818 nan 8.290 nan 0.000 0.444 52 V N 4.131 124.063 119.914 0.029 0.000 2.888 52 V HA 0.424 4.544 4.120 -0.000 0.000 0.309 52 V C -1.269 174.816 176.094 -0.014 0.000 1.114 52 V CA -0.683 61.664 62.300 0.077 0.000 0.940 52 V CB 2.541 34.478 31.823 0.190 0.000 1.021 52 V HN 0.914 nan 8.190 nan 0.000 0.426 53 D N 3.750 124.092 120.400 -0.098 0.000 2.351 53 D HA 0.265 4.905 4.640 -0.000 0.000 0.251 53 D C -0.421 175.654 176.300 -0.376 0.000 1.137 53 D CA 0.177 53.885 54.000 -0.487 0.000 0.879 53 D CB 2.037 42.165 40.800 -1.119 0.000 1.181 53 D HN 0.333 nan 8.370 nan 0.000 0.448 54 V N 3.893 123.521 119.914 -0.477 0.000 2.240 54 V HA 0.100 4.219 4.120 -0.000 0.000 0.265 54 V C -0.291 175.616 176.094 -0.313 0.000 1.073 54 V CA -0.918 61.102 62.300 -0.466 0.000 0.857 54 V CB -0.382 31.233 31.823 -0.346 0.000 1.114 54 V HN 0.442 nan 8.190 nan 0.000 0.469 55 W N 3.445 124.781 121.300 0.060 0.000 2.489 55 W HA 0.102 4.763 4.660 0.001 0.000 0.327 55 W C 1.081 177.714 176.519 0.189 0.000 1.436 55 W CA -0.129 57.263 57.345 0.079 0.000 1.315 55 W CB 0.317 29.836 29.460 0.098 0.000 1.373 55 W HN 0.779 nan 8.180 nan 0.000 0.557 56 W N 3.603 124.959 121.300 0.094 0.000 2.338 56 W HA -0.138 4.524 4.660 0.002 0.000 0.304 56 W C 1.886 178.535 176.519 0.216 0.000 1.212 56 W CA 2.156 59.536 57.345 0.058 0.000 1.264 56 W CB -0.900 28.479 29.460 -0.136 0.000 1.142 56 W HN 0.404 nan 8.180 nan 0.000 0.512 57 G N 0.411 109.271 108.800 0.100 0.000 2.471 57 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 57 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 57 G C 1.573 176.471 174.900 -0.003 0.000 1.125 57 G CA 1.151 46.160 45.100 -0.153 0.000 0.775 57 G HN 0.373 nan 8.290 nan 0.000 0.548 58 I N 0.406 121.077 120.570 0.167 0.000 2.494 58 I HA 0.013 4.183 4.170 -0.000 0.000 0.250 58 I C 2.285 178.496 176.117 0.157 0.000 1.112 58 I CA 0.126 61.525 61.300 0.165 0.000 1.438 58 I CB 0.002 38.171 38.000 0.281 0.000 1.111 58 I HN 0.012 nan 8.210 nan 0.000 0.431 59 I N 0.651 121.347 120.570 0.210 0.000 2.202 59 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 59 I C 1.904 178.088 176.117 0.112 0.000 1.091 59 I CA 1.599 62.942 61.300 0.072 0.000 1.368 59 I CB -1.055 36.867 38.000 -0.129 0.000 1.058 59 I HN 0.292 nan 8.210 nan 0.000 0.410 60 E N 0.915 121.295 120.200 0.300 0.000 2.405 60 E HA 0.032 4.382 4.350 -0.000 0.000 0.214 60 E C 1.609 178.370 176.600 0.269 0.000 1.101 60 E CA -0.246 56.338 56.400 0.307 0.000 1.254 60 E CB 0.164 30.277 29.700 0.687 0.000 1.240 60 E HN 0.186 nan 8.360 nan 0.000 0.439 61 L N 1.026 122.330 121.223 0.135 0.000 2.017 61 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 61 L C 2.119 179.107 176.870 0.196 0.000 1.073 61 L CA 1.970 56.879 54.840 0.114 0.000 0.745 61 L CB -0.232 41.855 42.059 0.047 0.000 0.894 61 L HN 0.049 nan 8.230 nan 0.000 0.432 62 K N -0.871 119.582 120.400 0.088 0.000 2.097 62 K HA 0.117 4.437 4.320 -0.000 0.000 0.206 62 K C 0.593 177.173 176.600 -0.033 0.000 1.049 62 K CA 0.987 57.290 56.287 0.027 0.000 0.933 62 K CB -0.126 32.357 32.500 -0.028 0.000 0.717 62 K HN 0.571 nan 8.250 nan 0.000 0.442 63 G N -0.939 107.745 108.800 -0.194 0.000 2.328 63 G HA2 0.176 4.136 3.960 -0.000 0.000 0.295 63 G HA3 0.176 4.136 3.960 -0.000 0.000 0.295 63 G C -3.134 171.173 174.900 -0.988 0.000 1.413 63 G CA -1.215 43.475 45.100 -0.684 0.000 0.817 63 G HN -0.227 nan 8.290 nan 0.000 0.546 64 P HA 0.236 nan 4.420 nan 0.000 0.264 64 P C -0.018 176.969 177.300 -0.521 0.000 1.193 64 P CA 0.469 62.969 63.100 -1.000 0.000 0.763 64 P CB 0.399 31.582 31.700 -0.863 0.000 0.810 65 K N 0.400 120.531 120.400 -0.449 0.000 3.130 65 K HA -0.216 4.103 4.320 -0.000 0.000 0.282 65 K C -0.033 176.170 176.600 -0.662 0.000 1.145 65 K CA 0.797 56.724 56.287 -0.600 0.000 0.831 65 K CB -1.503 30.904 32.500 -0.155 0.000 1.226 65 K HN 0.568 nan 8.250 nan 0.000 0.478 66 Q N 0.939 120.378 119.800 -0.602 0.000 2.810 66 Q HA 0.145 4.485 4.340 -0.000 0.000 0.236 66 Q C -0.800 174.981 176.000 -0.366 0.000 1.278 66 Q CA 0.044 55.626 55.803 -0.369 0.000 1.065 66 Q CB 0.107 28.698 28.738 -0.246 0.000 1.364 66 Q HN 0.201 nan 8.270 nan 0.000 0.570 67 Y N 0.367 120.629 120.300 -0.063 0.000 2.310 67 Y HA 0.259 4.809 4.550 -0.000 0.000 0.326 67 Y C 0.512 176.223 175.900 -0.314 0.000 1.151 67 Y CA -1.057 56.879 58.100 -0.273 0.000 1.195 67 Y CB 0.916 39.112 38.460 -0.440 0.000 1.210 67 Y HN 0.236 nan 8.280 nan 0.000 0.483 68 D N 1.930 122.175 120.400 -0.259 0.000 2.469 68 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 68 D C -0.948 175.231 176.300 -0.202 0.000 1.173 68 D CA -0.875 53.038 54.000 -0.144 0.000 0.882 68 D CB 0.352 41.137 40.800 -0.025 0.000 1.129 68 D HN 0.564 nan 8.370 nan 0.000 0.549 69 W N 2.847 124.223 121.300 0.126 0.000 3.290 69 W HA 0.246 4.907 4.660 0.001 0.000 0.287 69 W C 1.961 178.524 176.519 0.073 0.000 1.288 69 W CA -0.524 56.871 57.345 0.083 0.000 1.725 69 W CB 0.359 29.817 29.460 -0.003 0.000 1.103 69 W HN 0.277 nan 8.180 nan 0.000 0.670 70 R N 0.777 121.425 120.500 0.248 0.000 2.073 70 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 70 R C 2.411 178.795 176.300 0.139 0.000 1.134 70 R CA 1.813 58.020 56.100 0.178 0.000 0.952 70 R CB -0.831 29.550 30.300 0.134 0.000 0.850 70 R HN 0.167 nan 8.270 nan 0.000 0.433 71 A N 0.093 122.985 122.820 0.120 0.000 1.933 71 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 71 A C 1.821 179.331 177.584 -0.123 0.000 1.175 71 A CA 1.125 53.190 52.037 0.047 0.000 0.628 71 A CB -0.609 18.408 19.000 0.028 0.000 0.814 71 A HN 0.337 nan 8.150 nan 0.000 0.444 72 Y N -0.228 120.007 120.300 -0.109 0.000 2.293 72 Y HA -0.126 4.424 4.550 0.000 0.000 0.291 72 Y C 2.650 178.128 175.900 -0.703 0.000 1.137 72 Y CA 1.548 59.394 58.100 -0.424 0.000 1.202 72 Y CB -0.145 38.093 38.460 -0.371 0.000 0.990 72 Y HN 0.226 nan 8.280 nan 0.000 0.537 73 R N -0.616 119.781 120.500 -0.171 0.000 2.081 73 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 73 R C 2.330 178.654 176.300 0.041 0.000 1.131 73 R CA 1.684 57.765 56.100 -0.033 0.000 0.960 73 R CB -0.468 29.941 30.300 0.181 0.000 0.856 73 R HN 0.228 nan 8.270 nan 0.000 0.436 74 S N 1.313 117.052 115.700 0.065 0.000 2.368 74 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 74 S C 1.823 176.496 174.600 0.122 0.000 1.030 74 S CA 0.997 59.305 58.200 0.180 0.000 0.999 74 S CB -0.267 63.122 63.200 0.315 0.000 0.844 74 S HN 0.179 nan 8.310 nan 0.000 0.459 75 L N 1.304 122.385 121.223 -0.238 0.000 1.994 75 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 75 L C 1.904 178.765 176.870 -0.015 0.000 1.071 75 L CA 1.831 56.392 54.840 -0.465 0.000 0.745 75 L CB -0.920 40.650 42.059 -0.815 0.000 0.892 75 L HN 0.144 nan 8.230 nan 0.000 0.431 76 F N -0.047 119.728 119.950 -0.292 0.000 2.161 76 F HA -0.231 4.297 4.527 0.001 0.000 0.300 76 F C 2.738 178.340 175.800 -0.329 0.000 1.089 76 F CA 1.231 58.946 58.000 -0.475 0.000 1.282 76 F CB -1.358 36.981 39.000 -1.102 0.000 1.010 76 F HN 0.303 nan 8.300 nan 0.000 0.485 77 Q N -0.141 119.709 119.800 0.084 0.000 2.061 77 Q HA -0.217 4.122 4.340 -0.000 0.000 0.204 77 Q C 2.421 178.549 176.000 0.212 0.000 0.984 77 Q CA 1.440 57.418 55.803 0.292 0.000 0.846 77 Q CB -0.817 28.119 28.738 0.329 0.000 0.902 77 Q HN 0.373 nan 8.270 nan 0.000 0.421 78 L N 0.295 121.637 121.223 0.199 0.000 2.042 78 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 78 L C 2.260 179.218 176.870 0.146 0.000 1.076 78 L CA 1.458 56.414 54.840 0.193 0.000 0.749 78 L CB -0.720 41.507 42.059 0.280 0.000 0.893 78 L HN -0.029 nan 8.230 nan 0.000 0.432 79 V N -0.318 119.665 119.914 0.116 0.000 2.343 79 V HA -0.350 3.769 4.120 -0.000 0.000 0.247 79 V C 2.595 178.740 176.094 0.085 0.000 1.051 79 V CA 2.050 64.401 62.300 0.084 0.000 1.036 79 V CB -0.713 31.132 31.823 0.038 0.000 0.654 79 V HN 0.693 nan 8.190 nan 0.000 0.451 80 Q N 0.122 119.982 119.800 0.100 0.000 2.096 80 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 80 Q C 2.153 178.227 176.000 0.123 0.000 0.982 80 Q CA 2.187 58.067 55.803 0.129 0.000 0.850 80 Q CB -0.176 28.691 28.738 0.215 0.000 0.901 80 Q HN 0.725 nan 8.270 nan 0.000 0.422 81 E N -0.627 119.650 120.200 0.128 0.000 2.160 81 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 81 E C 1.722 178.374 176.600 0.087 0.000 0.991 81 E CA 1.216 57.679 56.400 0.107 0.000 0.810 81 E CB -0.012 29.754 29.700 0.110 0.000 0.742 81 E HN 0.437 nan 8.360 nan 0.000 0.466 82 C N 0.140 119.491 119.300 0.085 0.000 2.626 82 C HA 0.248 4.707 4.460 -0.000 0.000 0.266 82 C C 1.537 176.559 174.990 0.053 0.000 1.317 82 C CA 0.320 59.378 59.018 0.068 0.000 1.716 82 C CB -1.036 26.746 27.740 0.071 0.000 1.819 82 C HN 0.667 nan 8.230 nan 0.000 0.578 83 G N 0.803 109.642 108.800 0.066 0.000 2.160 83 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.244 83 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.244 83 G C -0.271 174.669 174.900 0.066 0.000 1.022 83 G CA -0.031 45.108 45.100 0.066 0.000 0.741 83 G HN 0.522 nan 8.290 nan 0.000 0.508 84 L N 0.501 121.769 121.223 0.075 0.000 2.333 84 L HA 0.775 5.115 4.340 -0.000 0.000 0.269 84 L C 1.147 178.081 176.870 0.106 0.000 1.010 84 L CA -0.571 54.323 54.840 0.090 0.000 0.818 84 L CB 1.992 44.101 42.059 0.084 0.000 1.306 84 L HN 0.322 nan 8.230 nan 0.000 0.430 85 T N -0.423 114.221 114.554 0.151 0.000 2.862 85 T HA 0.707 5.057 4.350 -0.000 0.000 0.276 85 T C -0.638 174.122 174.700 0.100 0.000 0.974 85 T CA -0.727 61.453 62.100 0.134 0.000 0.966 85 T CB 1.815 70.805 68.868 0.203 0.000 1.072 85 T HN 0.426 nan 8.240 nan 0.000 0.538 86 L N 0.010 121.237 121.223 0.007 0.000 2.455 86 L HA 0.449 4.789 4.340 -0.000 0.000 0.264 86 L C -1.251 175.531 176.870 -0.147 0.000 0.968 86 L CA -0.610 54.178 54.840 -0.087 0.000 0.827 86 L CB 2.241 44.150 42.059 -0.251 0.000 1.317 86 L HN 0.754 nan 8.230 nan 0.000 0.407 87 Q N 4.048 123.750 119.800 -0.164 0.000 2.347 87 Q HA 0.698 5.038 4.340 -0.000 0.000 0.262 87 Q C -0.780 175.117 176.000 -0.171 0.000 0.980 87 Q CA -0.644 55.037 55.803 -0.204 0.000 0.867 87 Q CB 1.990 30.578 28.738 -0.251 0.000 1.242 87 Q HN 0.705 nan 8.270 nan 0.000 0.453 88 A N 4.071 126.772 122.820 -0.199 0.000 2.276 88 A HA 0.581 4.901 4.320 -0.000 0.000 0.316 88 A C -0.403 177.030 177.584 -0.251 0.000 1.229 88 A CA -0.614 51.311 52.037 -0.187 0.000 0.851 88 A CB 0.431 19.336 19.000 -0.159 0.000 1.165 88 A HN 0.775 nan 8.150 nan 0.000 0.513 89 I N 3.377 123.802 120.570 -0.240 0.000 2.331 89 I HA 0.172 4.341 4.170 -0.000 0.000 0.292 89 I C -0.001 175.889 176.117 -0.377 0.000 0.998 89 I CA -0.383 60.750 61.300 -0.278 0.000 1.267 89 I CB 1.392 39.239 38.000 -0.255 0.000 1.386 89 I HN 0.511 nan 8.210 nan 0.000 0.476 90 M N 5.249 124.613 119.600 -0.393 0.000 2.775 90 M HA 0.129 4.609 4.480 -0.000 0.000 0.313 90 M C -0.072 175.767 176.300 -0.767 0.000 1.429 90 M CA 0.231 55.189 55.300 -0.570 0.000 1.494 90 M CB -0.529 31.797 32.600 -0.457 0.000 1.274 90 M HN 0.406 nan 8.290 nan 0.000 0.491 91 S N 3.294 118.571 115.700 -0.706 0.000 2.485 91 S HA 0.282 4.752 4.470 -0.000 0.000 0.312 91 S C 0.419 174.754 174.600 -0.442 0.000 1.102 91 S CA -0.403 57.442 58.200 -0.592 0.000 1.066 91 S CB -0.408 62.139 63.200 -1.089 0.000 1.102 91 S HN 0.401 nan 8.310 nan 0.000 0.519 92 F N 3.148 123.115 119.950 0.028 0.000 2.663 92 F HA 0.167 4.693 4.527 -0.000 0.000 0.299 92 F C 1.523 177.648 175.800 0.542 0.000 1.143 92 F CA -0.432 57.642 58.000 0.124 0.000 1.387 92 F CB -0.232 38.518 39.000 -0.416 0.000 1.019 92 F HN 0.590 nan 8.300 nan 0.000 0.523 93 H N -1.510 117.912 119.070 0.588 0.000 2.855 93 H HA 0.415 4.971 4.556 0.000 0.000 0.363 93 H C -0.834 174.804 175.328 0.517 0.000 1.185 93 H CA -1.158 55.234 56.048 0.574 0.000 1.174 93 H CB 1.023 31.029 29.762 0.407 0.000 1.857 93 H HN 0.151 nan 8.280 nan 0.000 0.565 94 Q N 0.790 120.857 119.800 0.444 0.000 2.259 94 Q HA 0.348 4.688 4.340 -0.000 0.000 0.246 94 Q C -0.989 175.117 176.000 0.177 0.000 0.920 94 Q CA -0.641 55.282 55.803 0.199 0.000 0.895 94 Q CB 1.348 30.161 28.738 0.125 0.000 1.220 94 Q HN 0.595 nan 8.270 nan 0.000 0.439 95 C N 2.664 121.848 119.300 -0.194 0.000 2.350 95 C HA 0.829 5.288 4.460 -0.000 0.000 0.348 95 C C 1.040 175.955 174.990 -0.124 0.000 1.260 95 C CA 0.989 59.882 59.018 -0.208 0.000 1.966 95 C CB -0.022 27.304 27.740 -0.690 0.000 2.380 95 C HN 1.059 nan 8.230 nan 0.000 0.535 96 G N 3.495 112.283 108.800 -0.020 0.000 4.077 96 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.199 96 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.199 96 G C 0.937 175.841 174.900 0.007 0.000 1.302 96 G CA 0.366 45.451 45.100 -0.025 0.000 0.918 96 G HN 1.255 nan 8.290 nan 0.000 0.369 97 G N 0.802 109.615 108.800 0.022 0.000 3.189 97 G HA2 0.355 4.315 3.960 -0.000 0.000 0.225 97 G HA3 0.355 4.315 3.960 -0.000 0.000 0.225 97 G C 0.281 175.198 174.900 0.029 0.000 1.159 97 G CA 0.178 45.289 45.100 0.018 0.000 0.763 97 G HN 0.385 nan 8.290 nan 0.000 0.549 98 N N -0.171 118.555 118.700 0.043 0.000 2.459 98 N HA 0.246 4.985 4.740 -0.000 0.000 0.288 98 N C -0.314 175.238 175.510 0.069 0.000 1.186 98 N CA -0.583 52.498 53.050 0.051 0.000 0.917 98 N CB 2.308 40.819 38.487 0.039 0.000 1.219 98 N HN -0.132 nan 8.380 nan 0.000 0.525 99 V N 0.861 120.827 119.914 0.087 0.000 2.644 99 V HA 0.199 4.319 4.120 -0.000 0.000 0.305 99 V C 1.354 177.480 176.094 0.054 0.000 1.053 99 V CA 1.859 64.204 62.300 0.075 0.000 1.186 99 V CB -0.370 31.503 31.823 0.083 0.000 0.895 99 V HN 0.996 nan 8.190 nan 0.000 0.490 100 G N 4.704 113.529 108.800 0.041 0.000 2.225 100 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 100 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 100 G C -0.023 174.906 174.900 0.047 0.000 0.988 100 G CA 0.198 45.319 45.100 0.036 0.000 0.625 100 G HN 0.815 nan 8.290 nan 0.000 0.527 101 D N 1.325 121.756 120.400 0.053 0.000 2.357 101 D HA 0.282 4.922 4.640 -0.000 0.000 0.265 101 D C 2.039 178.353 176.300 0.023 0.000 1.334 101 D CA 0.255 54.284 54.000 0.049 0.000 0.984 101 D CB -0.111 40.717 40.800 0.047 0.000 1.077 101 D HN 0.634 nan 8.370 nan 0.000 0.514 102 I N -0.240 120.344 120.570 0.023 0.000 3.564 102 I HA 0.083 4.253 4.170 -0.000 0.000 0.294 102 I C 0.460 176.569 176.117 -0.013 0.000 1.289 102 I CA -0.015 61.290 61.300 0.008 0.000 1.325 102 I CB 0.172 38.182 38.000 0.018 0.000 1.039 102 I HN 0.020 nan 8.210 nan 0.000 0.474 103 V N 1.318 121.210 119.914 -0.037 0.000 2.925 103 V HA 0.502 4.622 4.120 -0.000 0.000 0.311 103 V C -1.429 174.589 176.094 -0.128 0.000 1.104 103 V CA -0.647 61.607 62.300 -0.076 0.000 0.954 103 V CB 2.240 34.014 31.823 -0.082 0.000 1.022 103 V HN 0.337 nan 8.190 nan 0.000 0.427 104 N N 4.675 123.297 118.700 -0.130 0.000 2.422 104 N HA 0.608 5.348 4.740 -0.000 0.000 0.266 104 N C -1.113 174.262 175.510 -0.226 0.000 1.007 104 N CA -0.271 52.688 53.050 -0.152 0.000 0.941 104 N CB 0.859 39.287 38.487 -0.098 0.000 1.115 104 N HN 0.696 nan 8.380 nan 0.000 0.492 105 I N 5.180 125.553 120.570 -0.328 0.000 2.493 105 I HA 0.364 4.534 4.170 -0.000 0.000 0.279 105 I C -2.284 173.659 176.117 -0.290 0.000 1.045 105 I CA -1.881 59.176 61.300 -0.405 0.000 1.106 105 I CB 2.040 39.555 38.000 -0.808 0.000 1.216 105 I HN 0.410 nan 8.210 nan 0.000 0.459 106 P HA 0.371 nan 4.420 nan 0.000 0.279 106 P C -0.066 177.150 177.300 -0.141 0.000 1.276 106 P CA -0.501 62.524 63.100 -0.125 0.000 0.801 106 P CB 0.791 32.423 31.700 -0.112 0.000 1.127 107 I N -3.110 117.373 120.570 -0.146 0.000 3.269 107 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 107 I C -2.288 173.510 176.117 -0.531 0.000 1.152 107 I CA -2.546 58.532 61.300 -0.371 0.000 1.263 107 I CB -0.768 37.031 38.000 -0.335 0.000 1.439 107 I HN 0.051 nan 8.210 nan 0.000 0.637 108 P HA -0.021 nan 4.420 nan 0.000 0.265 108 P C -0.068 176.906 177.300 -0.543 0.000 1.193 108 P CA 0.289 62.947 63.100 -0.738 0.000 0.765 108 P CB 0.602 31.626 31.700 -1.127 0.000 0.823 109 Q N 4.491 124.147 119.800 -0.240 0.000 2.181 109 Q HA -0.167 4.173 4.340 -0.000 0.000 0.205 109 Q C 1.578 177.558 176.000 -0.034 0.000 0.980 109 Q CA 1.933 57.680 55.803 -0.093 0.000 0.862 109 Q CB -0.567 28.177 28.738 0.011 0.000 0.905 109 Q HN 0.673 nan 8.270 nan 0.000 0.429 110 W N -1.427 119.864 121.300 -0.016 0.000 2.425 110 W HA -0.004 4.655 4.660 -0.002 0.000 0.277 110 W C 1.167 177.754 176.519 0.113 0.000 1.231 110 W CA 0.800 58.179 57.345 0.058 0.000 1.248 110 W CB -0.713 28.784 29.460 0.061 0.000 1.117 110 W HN -0.017 nan 8.180 nan 0.000 0.568 111 V N 1.688 121.229 119.914 -0.622 0.000 2.488 111 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 111 V C 2.555 178.595 176.094 -0.091 0.000 1.046 111 V CA 1.153 63.180 62.300 -0.455 0.000 1.053 111 V CB -0.865 30.482 31.823 -0.793 0.000 0.679 111 V HN 0.015 nan 8.190 nan 0.000 0.458 112 L N 0.191 121.369 121.223 -0.075 0.000 2.083 112 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 112 L C 2.154 179.094 176.870 0.117 0.000 1.083 112 L CA 1.761 56.661 54.840 0.099 0.000 0.752 112 L CB -1.177 40.903 42.059 0.035 0.000 0.899 112 L HN 0.347 nan 8.230 nan 0.000 0.433 113 D N -0.602 119.853 120.400 0.093 0.000 2.117 113 D HA -0.155 4.484 4.640 -0.000 0.000 0.197 113 D C 2.377 178.728 176.300 0.086 0.000 0.987 113 D CA 1.164 55.230 54.000 0.110 0.000 0.829 113 D CB 0.016 40.906 40.800 0.151 0.000 0.961 113 D HN 0.314 nan 8.370 nan 0.000 0.460 114 I N 0.989 121.613 120.570 0.090 0.000 2.361 114 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 114 I C 2.457 178.532 176.117 -0.070 0.000 1.133 114 I CA 1.190 62.490 61.300 0.000 0.000 1.413 114 I CB -0.264 37.730 38.000 -0.011 0.000 1.073 114 I HN 0.003 nan 8.210 nan 0.000 0.424 115 G N -0.169 108.614 108.800 -0.028 0.000 2.471 115 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.219 115 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.219 115 G C 1.488 176.351 174.900 -0.062 0.000 1.125 115 G CA 0.414 45.480 45.100 -0.057 0.000 0.775 115 G HN 0.302 nan 8.290 nan 0.000 0.548 116 E N 0.722 120.913 120.200 -0.015 0.000 2.204 116 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 116 E C 2.577 179.050 176.600 -0.212 0.000 0.989 116 E CA 1.303 57.675 56.400 -0.046 0.000 0.824 116 E CB 0.034 29.760 29.700 0.044 0.000 0.756 116 E HN 0.510 nan 8.360 nan 0.000 0.477 117 S N -1.153 114.433 115.700 -0.190 0.000 2.540 117 S HA 0.124 4.593 4.470 -0.000 0.000 0.222 117 S C 0.384 174.854 174.600 -0.217 0.000 1.008 117 S CA -0.491 57.604 58.200 -0.175 0.000 0.939 117 S CB 0.290 63.447 63.200 -0.072 0.000 0.865 117 S HN 0.076 nan 8.310 nan 0.000 0.499 118 N N 0.924 119.464 118.700 -0.268 0.000 2.690 118 N HA 0.298 5.038 4.740 -0.000 0.000 0.255 118 N C -0.394 175.013 175.510 -0.172 0.000 1.195 118 N CA -0.286 52.663 53.050 -0.168 0.000 0.790 118 N CB 0.415 38.834 38.487 -0.114 0.000 1.216 118 N HN 0.252 nan 8.380 nan 0.000 0.528 119 H N 0.216 119.341 119.070 0.092 0.000 2.543 119 H HA 0.044 4.600 4.556 -0.001 0.000 0.286 119 H C 0.246 175.681 175.328 0.178 0.000 1.037 119 H CA 1.011 57.174 56.048 0.191 0.000 1.250 119 H CB 0.586 30.472 29.762 0.206 0.000 1.373 119 H HN 0.515 nan 8.280 nan 0.000 0.580 120 D N 0.805 121.327 120.400 0.204 0.000 2.336 120 D HA -0.022 4.618 4.640 -0.000 0.000 0.229 120 D C 1.615 178.049 176.300 0.223 0.000 1.061 120 D CA 0.414 54.563 54.000 0.249 0.000 0.875 120 D CB 0.179 41.094 40.800 0.191 0.000 0.904 120 D HN 0.659 nan 8.370 nan 0.000 0.525 121 I N -3.273 117.255 120.570 -0.069 0.000 3.578 121 I HA 0.104 4.274 4.170 -0.000 0.000 0.295 121 I C -0.040 175.886 176.117 -0.319 0.000 1.280 121 I CA 0.104 61.264 61.300 -0.234 0.000 1.347 121 I CB -0.090 37.714 38.000 -0.326 0.000 1.051 121 I HN -0.331 nan 8.210 nan 0.000 0.460 122 F N 0.301 120.339 119.950 0.146 0.000 2.432 122 F HA 0.490 5.017 4.527 -0.001 0.000 0.329 122 F C 0.046 175.965 175.800 0.199 0.000 1.076 122 F CA -1.118 56.959 58.000 0.127 0.000 1.018 122 F CB 0.188 39.295 39.000 0.179 0.000 1.201 122 F HN -0.235 nan 8.300 nan 0.000 0.489 123 Y N 0.889 121.458 120.300 0.448 0.000 2.717 123 Y HA 0.206 4.755 4.550 -0.001 0.000 0.330 123 Y C 0.638 176.748 175.900 0.349 0.000 1.217 123 Y CA 0.031 58.353 58.100 0.371 0.000 1.506 123 Y CB -0.107 38.558 38.460 0.341 0.000 1.268 123 Y HN 0.424 nan 8.280 nan 0.000 0.561 124 T N 5.201 120.075 114.554 0.533 0.000 2.848 124 T HA 0.290 4.640 4.350 -0.000 0.000 0.285 124 T C -0.274 174.668 174.700 0.402 0.000 0.995 124 T CA -1.200 61.142 62.100 0.404 0.000 0.970 124 T CB 0.891 69.982 68.868 0.372 0.000 0.976 124 T HN 0.605 nan 8.240 nan 0.000 0.441 125 N N 1.810 120.672 118.700 0.269 0.000 2.448 125 N HA 0.248 4.988 4.740 -0.000 0.000 0.274 125 N C 1.099 176.489 175.510 -0.200 0.000 1.239 125 N CA -1.005 52.138 53.050 0.154 0.000 0.982 125 N CB 0.712 39.257 38.487 0.096 0.000 1.199 125 N HN 0.511 nan 8.380 nan 0.000 0.576 126 R N -0.452 119.610 120.500 -0.730 0.000 2.127 126 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 126 R C 0.938 176.977 176.300 -0.436 0.000 1.134 126 R CA 1.702 57.131 56.100 -1.118 0.000 0.975 126 R CB -0.301 29.344 30.300 -1.092 0.000 0.865 126 R HN 0.740 nan 8.270 nan 0.000 0.447 127 S N -1.112 114.443 115.700 -0.242 0.000 2.607 127 S HA 0.139 4.609 4.470 -0.000 0.000 0.224 127 S C 1.220 175.786 174.600 -0.056 0.000 0.969 127 S CA 0.449 58.578 58.200 -0.119 0.000 0.927 127 S CB 0.691 63.853 63.200 -0.062 0.000 0.772 127 S HN 0.605 nan 8.310 nan 0.000 0.533 128 G N 1.213 109.994 108.800 -0.032 0.000 2.141 128 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 128 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 128 G C 0.056 174.993 174.900 0.061 0.000 0.984 128 G CA 0.021 45.140 45.100 0.032 0.000 0.660 128 G HN 0.480 nan 8.290 nan 0.000 0.525 129 T N 2.753 117.353 114.554 0.077 0.000 2.814 129 T HA 0.468 4.818 4.350 -0.000 0.000 0.297 129 T C 0.709 175.495 174.700 0.144 0.000 0.956 129 T CA -0.152 62.005 62.100 0.096 0.000 1.123 129 T CB 0.633 69.571 68.868 0.116 0.000 0.902 129 T HN 0.460 nan 8.240 nan 0.000 0.528 130 R N 3.542 124.113 120.500 0.118 0.000 2.265 130 R HA 0.311 4.651 4.340 -0.000 0.000 0.319 130 R C -0.395 175.943 176.300 0.064 0.000 1.006 130 R CA -0.501 55.701 56.100 0.170 0.000 0.880 130 R CB 0.508 30.968 30.300 0.265 0.000 1.077 130 R HN 0.608 nan 8.270 nan 0.000 0.454 131 N N 2.147 120.938 118.700 0.152 0.000 2.426 131 N HA 0.073 4.813 4.740 -0.000 0.000 0.257 131 N C 0.184 175.683 175.510 -0.020 0.000 1.002 131 N CA -0.347 52.758 53.050 0.090 0.000 0.942 131 N CB 0.801 39.417 38.487 0.215 0.000 1.112 131 N HN 0.417 nan 8.380 nan 0.000 0.499 132 K N 2.021 122.259 120.400 -0.270 0.000 2.458 132 K HA -0.048 4.272 4.320 -0.000 0.000 0.194 132 K C 0.788 177.397 176.600 0.016 0.000 1.024 132 K CA 0.318 56.303 56.287 -0.503 0.000 1.108 132 K CB 0.215 32.347 32.500 -0.613 0.000 0.846 132 K HN 0.707 nan 8.250 nan 0.000 0.518 133 E N -0.289 120.003 120.200 0.152 0.000 2.502 133 E HA -0.097 4.252 4.350 -0.000 0.000 0.194 133 E C -0.313 176.555 176.600 0.447 0.000 1.062 133 E CA 0.271 56.819 56.400 0.245 0.000 0.867 133 E CB 0.034 29.858 29.700 0.208 0.000 0.888 133 E HN 0.177 nan 8.360 nan 0.000 0.510 134 Y N -0.171 120.311 120.300 0.305 0.000 2.522 134 Y HA 0.257 4.807 4.550 -0.001 0.000 0.326 134 Y C -1.669 174.344 175.900 0.188 0.000 1.198 134 Y CA -1.026 57.251 58.100 0.295 0.000 1.112 134 Y CB 1.048 39.677 38.460 0.282 0.000 1.342 134 Y HN -0.110 nan 8.280 nan 0.000 0.460 135 L N 4.395 125.351 121.223 -0.445 0.000 2.367 135 L HA 0.265 4.604 4.340 -0.000 0.000 0.275 135 L C 0.769 177.322 176.870 -0.529 0.000 1.129 135 L CA -0.274 54.340 54.840 -0.376 0.000 0.839 135 L CB 1.079 42.897 42.059 -0.401 0.000 1.133 135 L HN 0.762 nan 8.230 nan 0.000 0.453 136 T N 1.748 115.967 114.554 -0.560 0.000 2.934 136 T HA 0.009 4.359 4.350 -0.000 0.000 0.306 136 T C 1.373 175.874 174.700 -0.332 0.000 1.042 136 T CA -0.468 61.157 62.100 -0.793 0.000 1.145 136 T CB 0.751 69.423 68.868 -0.328 0.000 0.982 136 T HN 0.389 nan 8.240 nan 0.000 0.544 137 V N 5.146 124.927 119.914 -0.221 0.000 2.636 137 V HA -0.150 3.970 4.120 -0.000 0.000 0.258 137 V C 2.620 178.712 176.094 -0.003 0.000 1.092 137 V CA 2.338 64.580 62.300 -0.097 0.000 1.110 137 V CB -1.173 30.569 31.823 -0.134 0.000 0.685 137 V HN 1.075 nan 8.190 nan 0.000 0.481 138 G N 0.132 108.955 108.800 0.037 0.000 2.448 138 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 138 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 138 G C 1.332 176.160 174.900 -0.119 0.000 1.127 138 G CA 1.284 46.437 45.100 0.088 0.000 0.766 138 G HN 0.733 nan 8.290 nan 0.000 0.552 139 V N -2.526 117.268 119.914 -0.199 0.000 3.342 139 V HA 0.249 4.369 4.120 -0.000 0.000 0.322 139 V C 1.330 177.352 176.094 -0.120 0.000 1.370 139 V CA 0.276 62.406 62.300 -0.284 0.000 1.170 139 V CB 0.302 31.962 31.823 -0.271 0.000 1.101 139 V HN -0.058 nan 8.190 nan 0.000 0.442 140 D N 2.491 122.851 120.400 -0.066 0.000 2.172 140 D HA -0.155 4.484 4.640 -0.000 0.000 0.196 140 D C 1.276 177.538 176.300 -0.064 0.000 0.999 140 D CA 1.847 55.821 54.000 -0.042 0.000 0.856 140 D CB -0.065 40.769 40.800 0.056 0.000 0.934 140 D HN 0.567 nan 8.370 nan 0.000 0.453 141 N N 0.739 119.412 118.700 -0.044 0.000 2.351 141 N HA 0.030 4.770 4.740 -0.000 0.000 0.254 141 N C -0.590 174.897 175.510 -0.038 0.000 1.241 141 N CA -0.016 53.016 53.050 -0.030 0.000 0.883 141 N CB 1.115 39.600 38.487 -0.003 0.000 1.202 141 N HN 0.111 nan 8.380 nan 0.000 0.512 142 E N 1.536 121.690 120.200 -0.077 0.000 2.156 142 E HA 0.245 4.595 4.350 -0.000 0.000 0.279 142 E C -2.160 174.394 176.600 -0.076 0.000 0.965 142 E CA -1.764 54.569 56.400 -0.112 0.000 0.789 142 E CB 2.054 31.581 29.700 -0.289 0.000 1.098 142 E HN 0.042 nan 8.360 nan 0.000 0.397 143 P HA 0.171 nan 4.420 nan 0.000 0.212 143 P C 0.686 177.931 177.300 -0.092 0.000 1.816 143 P CA 0.079 63.161 63.100 -0.029 0.000 0.944 143 P CB -0.651 31.044 31.700 -0.010 0.000 1.896 144 I N -5.185 115.242 120.570 -0.237 0.000 3.956 144 I HA 0.309 4.479 4.170 -0.000 0.000 0.333 144 I C -0.188 175.552 176.117 -0.628 0.000 1.302 144 I CA -0.223 60.811 61.300 -0.444 0.000 1.122 144 I CB -0.258 37.401 38.000 -0.569 0.000 1.013 144 I HN -0.269 nan 8.210 nan 0.000 0.405 145 F N 3.835 123.752 119.950 -0.054 0.000 2.467 145 F HA 0.437 4.963 4.527 -0.001 0.000 0.349 145 F C 0.380 176.244 175.800 0.106 0.000 1.182 145 F CA -0.684 57.336 58.000 0.033 0.000 1.279 145 F CB -0.733 38.368 39.000 0.169 0.000 1.626 145 F HN 0.142 nan 8.300 nan 0.000 0.596 146 H N 0.919 120.083 119.070 0.157 0.000 2.692 146 H HA -0.198 4.358 4.556 -0.000 0.000 0.316 146 H C 1.520 176.882 175.328 0.056 0.000 1.176 146 H CA 0.786 56.881 56.048 0.078 0.000 1.142 146 H CB -1.189 28.593 29.762 0.034 0.000 1.475 146 H HN 0.934 nan 8.280 nan 0.000 0.423 147 G N -0.612 108.242 108.800 0.091 0.000 2.234 147 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.235 147 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.235 147 G C 0.500 175.451 174.900 0.086 0.000 0.997 147 G CA 0.367 45.511 45.100 0.072 0.000 0.623 147 G HN 0.542 nan 8.290 nan 0.000 0.514 148 R N 1.012 121.602 120.500 0.149 0.000 2.643 148 R HA 0.615 4.955 4.340 -0.000 0.000 0.272 148 R C 0.772 177.181 176.300 0.183 0.000 0.995 148 R CA 0.157 56.345 56.100 0.147 0.000 1.032 148 R CB 1.069 31.476 30.300 0.179 0.000 1.126 148 R HN 0.372 nan 8.270 nan 0.000 0.505 149 T N -1.960 112.646 114.554 0.088 0.000 2.881 149 T HA 0.334 4.684 4.350 -0.000 0.000 0.278 149 T C 1.267 175.918 174.700 -0.082 0.000 0.982 149 T CA -0.346 61.793 62.100 0.065 0.000 0.989 149 T CB 1.607 70.463 68.868 -0.021 0.000 1.058 149 T HN 0.586 nan 8.240 nan 0.000 0.529 150 A N 0.652 123.343 122.820 -0.214 0.000 1.902 150 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 150 A C 2.302 179.290 177.584 -0.994 0.000 1.181 150 A CA 1.188 52.784 52.037 -0.734 0.000 0.623 150 A CB -1.073 17.514 19.000 -0.689 0.000 0.818 150 A HN 0.871 nan 8.150 nan 0.000 0.443 151 I N -0.466 119.788 120.570 -0.527 0.000 2.286 151 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 151 I C 2.454 178.391 176.117 -0.300 0.000 1.115 151 I CA 1.543 62.620 61.300 -0.372 0.000 1.392 151 I CB -0.445 37.466 38.000 -0.147 0.000 1.065 151 I HN 0.446 nan 8.210 nan 0.000 0.418 152 E N 0.934 121.005 120.200 -0.216 0.000 2.077 152 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 152 E C 2.290 178.826 176.600 -0.106 0.000 0.989 152 E CA 1.223 57.562 56.400 -0.102 0.000 0.800 152 E CB -0.067 29.614 29.700 -0.030 0.000 0.746 152 E HN 0.488 nan 8.360 nan 0.000 0.452 153 I N 0.442 120.866 120.570 -0.243 0.000 2.163 153 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 153 I C 2.068 178.066 176.117 -0.198 0.000 1.085 153 I CA 1.198 62.387 61.300 -0.184 0.000 1.347 153 I CB -0.306 37.467 38.000 -0.377 0.000 1.044 153 I HN 0.142 nan 8.210 nan 0.000 0.408 154 Y N 0.041 120.058 120.300 -0.473 0.000 2.200 154 Y HA -0.198 4.352 4.550 -0.001 0.000 0.290 154 Y C 2.992 178.812 175.900 -0.134 0.000 1.137 154 Y CA 1.107 58.794 58.100 -0.689 0.000 1.163 154 Y CB -1.302 36.508 38.460 -1.083 0.000 0.988 154 Y HN 0.115 nan 8.280 nan 0.000 0.518 155 S N -0.121 115.603 115.700 0.040 0.000 2.356 155 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 155 S C 1.771 176.453 174.600 0.137 0.000 1.032 155 S CA 1.644 59.892 58.200 0.081 0.000 1.005 155 S CB -0.384 62.830 63.200 0.023 0.000 0.867 155 S HN 0.394 nan 8.310 nan 0.000 0.449 156 D N -0.350 120.148 120.400 0.164 0.000 2.149 156 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 156 D C 1.550 178.006 176.300 0.261 0.000 0.990 156 D CA 1.071 55.202 54.000 0.219 0.000 0.839 156 D CB -0.452 40.533 40.800 0.308 0.000 0.948 156 D HN 0.615 nan 8.370 nan 0.000 0.460 157 Y N 0.743 121.178 120.300 0.224 0.000 2.181 157 Y HA -0.158 4.392 4.550 -0.001 0.000 0.288 157 Y C 2.306 178.320 175.900 0.189 0.000 1.146 157 Y CA 1.524 59.764 58.100 0.233 0.000 1.164 157 Y CB -0.146 38.599 38.460 0.475 0.000 0.982 157 Y HN -0.113 nan 8.280 nan 0.000 0.515 158 M N -0.146 119.699 119.600 0.408 0.000 2.254 158 M HA -0.173 4.307 4.480 -0.000 0.000 0.265 158 M C 2.007 178.240 176.300 -0.110 0.000 1.066 158 M CA 1.408 56.837 55.300 0.215 0.000 1.123 158 M CB -0.200 32.570 32.600 0.284 0.000 1.388 158 M HN 0.128 nan 8.290 nan 0.000 0.425 159 K N -0.144 120.202 120.400 -0.091 0.000 2.032 159 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 159 K C 2.245 178.746 176.600 -0.165 0.000 1.048 159 K CA 1.759 57.951 56.287 -0.159 0.000 0.927 159 K CB -0.575 31.886 32.500 -0.064 0.000 0.712 159 K HN 0.221 nan 8.250 nan 0.000 0.441 160 S N 0.770 116.387 115.700 -0.140 0.000 2.368 160 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 160 S C 1.826 176.183 174.600 -0.405 0.000 1.030 160 S CA 0.959 59.050 58.200 -0.183 0.000 0.999 160 S CB -0.347 62.654 63.200 -0.332 0.000 0.844 160 S HN 0.327 nan 8.310 nan 0.000 0.459 161 F N 3.006 122.554 119.950 -0.671 0.000 2.095 161 F HA -0.074 4.453 4.527 -0.001 0.000 0.298 161 F C 2.593 178.067 175.800 -0.543 0.000 1.104 161 F CA 2.085 59.493 58.000 -0.987 0.000 1.232 161 F CB -0.469 38.215 39.000 -0.527 0.000 0.987 161 F HN 0.120 nan 8.300 nan 0.000 0.475 162 R N 0.788 121.174 120.500 -0.189 0.000 2.083 162 R HA -0.204 4.135 4.340 -0.000 0.000 0.237 162 R C 2.115 178.268 176.300 -0.245 0.000 1.137 162 R CA 2.339 58.317 56.100 -0.203 0.000 0.951 162 R CB -0.659 29.380 30.300 -0.435 0.000 0.851 162 R HN 0.434 nan 8.270 nan 0.000 0.434 163 E N -0.101 119.947 120.200 -0.253 0.000 2.047 163 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 163 E C 1.863 178.322 176.600 -0.235 0.000 0.987 163 E CA 1.088 57.373 56.400 -0.192 0.000 0.799 163 E CB -0.072 29.547 29.700 -0.135 0.000 0.752 163 E HN 0.430 nan 8.360 nan 0.000 0.449 164 N N -0.088 118.382 118.700 -0.382 0.000 2.459 164 N HA -0.058 4.682 4.740 -0.000 0.000 0.181 164 N C 0.901 176.188 175.510 -0.371 0.000 1.046 164 N CA 0.766 53.581 53.050 -0.392 0.000 0.904 164 N CB 0.229 38.365 38.487 -0.585 0.000 0.964 164 N HN 0.186 nan 8.380 nan 0.000 0.444 165 M N 0.244 119.571 119.600 -0.456 0.000 2.484 165 M HA 0.137 4.616 4.480 -0.000 0.000 0.307 165 M C 1.569 177.816 176.300 -0.089 0.000 1.149 165 M CA 0.107 55.266 55.300 -0.234 0.000 0.972 165 M CB -0.331 31.935 32.600 -0.557 0.000 1.400 165 M HN -0.019 nan 8.290 nan 0.000 0.508 166 S N 1.293 116.912 115.700 -0.136 0.000 2.383 166 S HA -0.190 4.279 4.470 -0.000 0.000 0.229 166 S C 1.421 175.978 174.600 -0.072 0.000 1.030 166 S CA 1.757 59.909 58.200 -0.079 0.000 1.002 166 S CB -0.586 62.563 63.200 -0.085 0.000 0.829 166 S HN 0.546 nan 8.310 nan 0.000 0.467 167 D N 1.743 122.051 120.400 -0.154 0.000 2.097 167 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 167 D C 1.565 177.734 176.300 -0.218 0.000 0.989 167 D CA 1.044 54.902 54.000 -0.237 0.000 0.827 167 D CB -1.017 39.550 40.800 -0.389 0.000 0.966 167 D HN 0.478 nan 8.370 nan 0.000 0.456 168 F N 0.607 120.553 119.950 -0.006 0.000 2.171 168 F HA 0.054 4.581 4.527 -0.001 0.000 0.300 168 F C 2.579 178.376 175.800 -0.007 0.000 1.090 168 F CA 0.560 58.566 58.000 0.011 0.000 1.293 168 F CB -0.597 38.433 39.000 0.050 0.000 1.013 168 F HN -0.076 nan 8.300 nan 0.000 0.486 169 L N -0.002 121.323 121.223 0.169 0.000 2.056 169 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 169 L C 2.596 179.510 176.870 0.074 0.000 1.078 169 L CA 1.707 56.617 54.840 0.116 0.000 0.749 169 L CB -0.716 41.416 42.059 0.122 0.000 0.901 169 L HN 0.218 nan 8.230 nan 0.000 0.433 170 E N 0.041 120.265 120.200 0.040 0.000 2.358 170 E HA -0.160 4.189 4.350 -0.000 0.000 0.195 170 E C 1.757 178.371 176.600 0.023 0.000 1.010 170 E CA 1.186 57.599 56.400 0.022 0.000 0.856 170 E CB -0.010 29.691 29.700 0.000 0.000 0.795 170 E HN 0.473 nan 8.360 nan 0.000 0.504 171 S N -0.275 115.445 115.700 0.034 0.000 2.631 171 S HA 0.240 4.709 4.470 -0.000 0.000 0.217 171 S C 1.456 176.092 174.600 0.061 0.000 0.958 171 S CA 0.289 58.514 58.200 0.041 0.000 0.920 171 S CB -0.025 63.200 63.200 0.042 0.000 0.776 171 S HN 0.503 nan 8.310 nan 0.000 0.517 172 G N 0.934 109.771 108.800 0.061 0.000 2.198 172 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 172 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 172 G C 0.370 175.309 174.900 0.065 0.000 1.025 172 G CA 0.487 45.620 45.100 0.056 0.000 0.769 172 G HN 0.673 nan 8.290 nan 0.000 0.507 173 L N -0.215 121.058 121.223 0.082 0.000 2.095 173 L HA 0.449 4.788 4.340 -0.000 0.000 0.204 173 L C 1.520 178.383 176.870 -0.013 0.000 1.080 173 L CA 1.151 56.025 54.840 0.057 0.000 0.759 173 L CB 0.080 42.198 42.059 0.099 0.000 0.914 173 L HN 0.333 nan 8.230 nan 0.000 0.439 174 I N 1.388 121.942 120.570 -0.027 0.000 2.322 174 I HA 0.065 4.234 4.170 -0.000 0.000 0.292 174 I C 1.274 177.367 176.117 -0.040 0.000 1.060 174 I CA 0.036 61.287 61.300 -0.082 0.000 1.309 174 I CB 1.033 38.988 38.000 -0.075 0.000 1.415 174 I HN 0.262 nan 8.210 nan 0.000 0.492 175 I N 1.938 122.482 120.570 -0.044 0.000 3.035 175 I HA 0.247 4.417 4.170 -0.000 0.000 0.271 175 I C -0.115 175.979 176.117 -0.038 0.000 1.190 175 I CA 0.206 61.504 61.300 -0.004 0.000 1.472 175 I CB 0.043 38.078 38.000 0.059 0.000 1.116 175 I HN 0.544 nan 8.210 nan 0.000 0.443 176 D N 0.579 120.912 120.400 -0.113 0.000 2.661 176 D HA 0.479 5.119 4.640 -0.000 0.000 0.228 176 D C -0.907 175.258 176.300 -0.224 0.000 1.210 176 D CA -0.609 53.306 54.000 -0.141 0.000 0.826 176 D CB 1.902 42.652 40.800 -0.084 0.000 1.542 176 D HN -0.060 nan 8.370 nan 0.000 0.447 177 I N 1.444 121.842 120.570 -0.287 0.000 2.354 177 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 177 I C -0.241 175.713 176.117 -0.271 0.000 1.007 177 I CA -0.628 60.440 61.300 -0.386 0.000 1.167 177 I CB 1.227 38.801 38.000 -0.711 0.000 1.320 177 I HN 0.472 nan 8.210 nan 0.000 0.458 178 E N 6.070 126.130 120.200 -0.233 0.000 2.130 178 E HA 0.283 4.633 4.350 -0.000 0.000 0.284 178 E C -0.585 175.917 176.600 -0.162 0.000 1.018 178 E CA -0.531 55.767 56.400 -0.169 0.000 0.817 178 E CB 2.395 32.010 29.700 -0.142 0.000 1.078 178 E HN 0.235 nan 8.360 nan 0.000 0.396 179 V N 2.790 122.632 119.914 -0.121 0.000 2.368 179 V HA 0.202 4.321 4.120 -0.000 0.000 0.266 179 V C 0.957 177.019 176.094 -0.054 0.000 1.045 179 V CA -0.651 61.604 62.300 -0.075 0.000 0.899 179 V CB 1.039 32.826 31.823 -0.061 0.000 1.006 179 V HN 0.737 nan 8.190 nan 0.000 0.470 180 G N 4.314 113.104 108.800 -0.017 0.000 2.313 180 G HA2 0.365 4.324 3.960 -0.000 0.000 0.250 180 G HA3 0.365 4.324 3.960 -0.000 0.000 0.250 180 G C 0.283 175.214 174.900 0.051 0.000 1.281 180 G CA -0.154 44.969 45.100 0.039 0.000 0.917 180 G HN 0.760 nan 8.290 nan 0.000 0.501 181 L N 2.110 123.298 121.223 -0.058 0.000 3.217 181 L HA 0.422 4.761 4.340 -0.000 0.000 0.288 181 L C 1.101 177.815 176.870 -0.259 0.000 1.202 181 L CA 0.314 55.133 54.840 -0.036 0.000 1.027 181 L CB 0.328 42.366 42.059 -0.034 0.000 1.427 181 L HN 0.821 nan 8.230 nan 0.000 0.600 182 G N -0.700 107.660 108.800 -0.733 0.000 2.341 182 G HA2 0.257 4.217 3.960 -0.000 0.000 0.299 182 G HA3 0.257 4.217 3.960 -0.000 0.000 0.299 182 G C -3.132 171.286 174.900 -0.803 0.000 1.274 182 G CA -0.703 43.652 45.100 -1.242 0.000 0.853 182 G HN -0.365 nan 8.290 nan 0.000 0.493 183 P HA 0.318 nan 4.420 nan 0.000 0.264 183 P C 0.775 177.831 177.300 -0.407 0.000 1.179 183 P CA 1.814 64.756 63.100 -0.264 0.000 0.763 183 P CB 0.987 32.563 31.700 -0.206 0.000 0.806 184 A N 2.927 125.463 122.820 -0.473 0.000 2.829 184 A HA -0.136 4.184 4.320 -0.000 0.000 0.267 184 A C 1.563 178.681 177.584 -0.777 0.000 1.370 184 A CA 1.907 53.640 52.037 -0.507 0.000 0.900 184 A CB -2.502 16.392 19.000 -0.177 0.000 1.044 184 A HN 1.167 nan 8.150 nan 0.000 0.691 185 G N -2.110 105.966 108.800 -1.207 0.000 2.184 185 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.264 185 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.264 185 G C -0.138 174.595 174.900 -0.279 0.000 0.975 185 G CA 1.090 45.869 45.100 -0.536 0.000 0.642 185 G HN 1.197 nan 8.290 nan 0.000 0.536 186 E N -0.614 119.418 120.200 -0.281 0.000 2.266 186 E HA 0.522 4.871 4.350 -0.000 0.000 0.277 186 E C 0.136 176.647 176.600 -0.148 0.000 1.018 186 E CA -0.972 55.340 56.400 -0.147 0.000 0.840 186 E CB 1.477 31.128 29.700 -0.081 0.000 1.082 186 E HN 0.187 nan 8.360 nan 0.000 0.395 187 L N 5.252 126.453 121.223 -0.037 0.000 2.462 187 L HA 0.162 4.502 4.340 -0.000 0.000 0.283 187 L C -0.378 176.471 176.870 -0.035 0.000 1.166 187 L CA 0.790 55.614 54.840 -0.026 0.000 0.964 187 L CB -0.875 41.224 42.059 0.066 0.000 1.294 187 L HN 0.555 nan 8.230 nan 0.000 0.449 188 R N 2.232 122.568 120.500 -0.274 0.000 2.774 188 R HA 0.306 4.646 4.340 -0.000 0.000 0.279 188 R C -1.581 174.410 176.300 -0.516 0.000 1.022 188 R CA -0.993 54.845 56.100 -0.438 0.000 0.855 188 R CB 0.344 30.455 30.300 -0.315 0.000 1.279 188 R HN 0.164 nan 8.270 nan 0.000 0.485 189 Y N 0.481 120.497 120.300 -0.473 0.000 2.326 189 Y HA 0.369 4.919 4.550 -0.001 0.000 0.324 189 Y C -1.574 174.061 175.900 -0.441 0.000 1.291 189 Y CA -2.194 55.565 58.100 -0.568 0.000 1.348 189 Y CB 1.007 39.158 38.460 -0.516 0.000 1.294 189 Y HN 0.414 nan 8.280 nan 0.000 0.525 190 P HA 0.045 nan 4.420 nan 0.000 0.220 190 P C 0.135 177.336 177.300 -0.166 0.000 1.806 190 P CA 0.060 63.013 63.100 -0.245 0.000 0.976 190 P CB -0.169 31.485 31.700 -0.077 0.000 1.952 191 S N -0.027 115.586 115.700 -0.145 0.000 2.489 191 S HA -0.096 4.373 4.470 -0.000 0.000 0.228 191 S C 0.693 175.340 174.600 0.078 0.000 0.995 191 S CA 0.137 58.371 58.200 0.056 0.000 0.934 191 S CB -0.982 62.273 63.200 0.093 0.000 0.771 191 S HN 0.367 nan 8.310 nan 0.000 0.522 192 Y N 0.465 120.552 120.300 -0.356 0.000 2.638 192 Y HA 0.678 5.228 4.550 -0.000 0.000 0.367 192 Y C -3.287 172.221 175.900 -0.653 0.000 1.001 192 Y CA -4.164 53.340 58.100 -0.994 0.000 1.133 192 Y CB -0.103 37.186 38.460 -1.951 0.000 1.199 192 Y HN -0.002 nan 8.280 nan 0.000 0.642 193 P HA 0.199 nan 4.420 nan 0.000 0.286 193 P C 0.181 177.438 177.300 -0.071 0.000 1.321 193 P CA -0.099 62.855 63.100 -0.243 0.000 0.790 193 P CB 1.861 33.421 31.700 -0.233 0.000 0.897 194 Q N 1.874 121.718 119.800 0.073 0.000 2.135 194 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 194 Q C 1.938 177.963 176.000 0.042 0.000 0.981 194 Q CA 2.246 58.143 55.803 0.156 0.000 0.856 194 Q CB -0.315 28.518 28.738 0.158 0.000 0.902 194 Q HN 0.589 nan 8.270 nan 0.000 0.425 195 S N -0.027 115.671 115.700 -0.003 0.000 2.493 195 S HA -0.183 4.287 4.470 -0.000 0.000 0.243 195 S C 1.397 175.975 174.600 -0.036 0.000 0.991 195 S CA 1.027 59.217 58.200 -0.017 0.000 0.957 195 S CB -0.018 63.170 63.200 -0.021 0.000 0.756 195 S HN 0.381 nan 8.310 nan 0.000 0.521 196 Q N -0.127 119.620 119.800 -0.088 0.000 2.194 196 Q HA 0.397 4.737 4.340 -0.000 0.000 0.214 196 Q C 1.300 177.250 176.000 -0.084 0.000 0.838 196 Q CA 0.245 55.979 55.803 -0.115 0.000 0.972 196 Q CB 1.018 29.608 28.738 -0.246 0.000 1.131 196 Q HN 0.700 nan 8.270 nan 0.000 0.498 197 G N 0.946 109.726 108.800 -0.034 0.000 2.659 197 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.202 197 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.202 197 G C -0.342 174.582 174.900 0.041 0.000 1.186 197 G CA -0.428 44.677 45.100 0.008 0.000 0.783 197 G HN 0.380 nan 8.290 nan 0.000 0.521 198 W N 3.502 124.708 121.300 -0.157 0.000 2.651 198 W HA 0.302 4.962 4.660 -0.001 0.000 0.325 198 W C 0.275 176.790 176.519 -0.007 0.000 0.936 198 W CA 1.472 58.784 57.345 -0.055 0.000 1.078 198 W CB 0.211 29.622 29.460 -0.081 0.000 1.073 198 W HN 0.386 nan 8.180 nan 0.000 0.545 199 E N 6.725 126.449 120.200 -0.792 0.000 2.145 199 E HA 0.145 4.495 4.350 -0.000 0.000 0.270 199 E C 0.873 176.518 176.600 -1.592 0.000 0.906 199 E CA -0.523 55.373 56.400 -0.842 0.000 0.761 199 E CB 0.430 29.841 29.700 -0.483 0.000 1.116 199 E HN 0.396 nan 8.360 nan 0.000 0.408 200 F N 5.597 124.627 119.950 -1.532 0.000 2.222 200 F HA -0.266 4.260 4.527 -0.001 0.000 0.281 200 F C -1.486 173.573 175.800 -1.235 0.000 1.130 200 F CA 1.008 58.166 58.000 -1.404 0.000 1.368 200 F CB -2.137 36.533 39.000 -0.550 0.000 0.890 200 F HN 0.344 nan 8.300 nan 0.000 0.524 201 P HA 0.249 nan 4.420 nan 0.000 0.263 201 P C -0.864 176.125 177.300 -0.519 0.000 1.276 201 P CA 0.772 63.292 63.100 -0.966 0.000 0.986 201 P CB 0.467 31.551 31.700 -1.027 0.000 1.105 202 R N 1.569 122.017 120.500 -0.087 0.000 3.012 202 R HA 0.232 4.572 4.340 -0.000 0.000 0.287 202 R C 0.955 177.724 176.300 0.782 0.000 0.990 202 R CA -0.709 55.537 56.100 0.242 0.000 0.839 202 R CB -0.383 29.823 30.300 -0.157 0.000 1.317 202 R HN 0.311 nan 8.270 nan 0.000 0.518 203 I N -1.303 119.557 120.570 0.483 0.000 3.035 203 I HA 0.496 4.666 4.170 -0.000 0.000 0.271 203 I C 0.836 177.119 176.117 0.276 0.000 1.190 203 I CA 0.899 62.338 61.300 0.231 0.000 1.472 203 I CB 0.024 37.881 38.000 -0.238 0.000 1.116 203 I HN 0.802 nan 8.210 nan 0.000 0.443 204 G N 1.551 110.633 108.800 0.470 0.000 2.796 204 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.571 204 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.571 204 G C -0.886 174.039 174.900 0.042 0.000 1.370 204 G CA -0.381 44.971 45.100 0.420 0.000 0.856 204 G HN 0.573 nan 8.290 nan 0.000 0.538 205 E N -1.019 119.155 120.200 -0.044 0.000 2.312 205 E HA 0.565 4.915 4.350 -0.000 0.000 0.267 205 E C -0.747 175.737 176.600 -0.193 0.000 0.894 205 E CA -0.881 55.335 56.400 -0.305 0.000 0.773 205 E CB 1.525 30.851 29.700 -0.622 0.000 1.241 205 E HN 0.295 nan 8.360 nan 0.000 0.432 206 F N 1.588 121.507 119.950 -0.052 0.000 2.518 206 F HA 0.033 4.560 4.527 -0.000 0.000 0.359 206 F C 1.220 177.065 175.800 0.075 0.000 1.118 206 F CA 0.145 58.080 58.000 -0.107 0.000 1.287 206 F CB 0.540 39.353 39.000 -0.312 0.000 1.132 206 F HN 0.195 nan 8.300 nan 0.000 0.587 207 Q N 3.029 122.983 119.800 0.257 0.000 2.462 207 Q HA 0.203 4.543 4.340 -0.000 0.000 0.395 207 Q C -0.137 176.029 176.000 0.277 0.000 0.911 207 Q CA 0.034 55.985 55.803 0.247 0.000 1.112 207 Q CB 0.693 29.478 28.738 0.079 0.000 1.350 207 Q HN 0.772 nan 8.270 nan 0.000 0.407 208 C N -2.308 117.106 119.300 0.190 0.000 2.660 208 C HA 0.456 4.916 4.460 -0.000 0.000 0.265 208 C C 0.822 175.802 174.990 -0.017 0.000 1.573 208 C CA -0.689 58.436 59.018 0.179 0.000 1.751 208 C CB -1.695 26.203 27.740 0.263 0.000 3.033 208 C HN 0.370 nan 8.230 nan 0.000 0.511 209 Y N 1.903 122.350 120.300 0.246 0.000 2.462 209 Y HA 0.138 4.688 4.550 -0.001 0.000 0.261 209 Y C 1.220 177.241 175.900 0.201 0.000 1.146 209 Y CA -0.152 58.053 58.100 0.175 0.000 1.283 209 Y CB -0.286 38.235 38.460 0.101 0.000 1.090 209 Y HN 0.525 nan 8.280 nan 0.000 0.526 210 D N 0.759 121.381 120.400 0.370 0.000 2.390 210 D HA -0.066 4.574 4.640 -0.000 0.000 0.236 210 D C 1.291 177.732 176.300 0.234 0.000 1.189 210 D CA -0.195 53.994 54.000 0.314 0.000 0.887 210 D CB 0.724 41.745 40.800 0.368 0.000 1.198 210 D HN 0.289 nan 8.370 nan 0.000 0.444 211 K N 0.358 120.822 120.400 0.108 0.000 2.209 211 K HA -0.242 4.078 4.320 -0.000 0.000 0.204 211 K C 1.143 177.712 176.600 -0.052 0.000 1.048 211 K CA 1.036 57.300 56.287 -0.039 0.000 0.940 211 K CB -0.393 31.981 32.500 -0.210 0.000 0.729 211 K HN 0.591 nan 8.250 nan 0.000 0.451 212 Y N 1.485 121.880 120.300 0.158 0.000 2.243 212 Y HA 0.031 4.580 4.550 -0.001 0.000 0.293 212 Y C 2.253 178.295 175.900 0.236 0.000 1.124 212 Y CA 0.699 58.895 58.100 0.160 0.000 1.159 212 Y CB -0.182 38.353 38.460 0.125 0.000 1.008 212 Y HN -0.112 nan 8.280 nan 0.000 0.527 213 L N 0.261 121.752 121.223 0.447 0.000 2.056 213 L HA -0.230 4.110 4.340 -0.000 0.000 0.207 213 L C 2.503 179.675 176.870 0.502 0.000 1.078 213 L CA 1.616 56.770 54.840 0.524 0.000 0.749 213 L CB -0.474 41.901 42.059 0.526 0.000 0.901 213 L HN 0.196 nan 8.230 nan 0.000 0.433 214 K N 0.603 121.189 120.400 0.310 0.000 2.097 214 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 214 K C 2.088 178.817 176.600 0.215 0.000 1.049 214 K CA 1.366 57.779 56.287 0.209 0.000 0.933 214 K CB -0.053 32.530 32.500 0.139 0.000 0.717 214 K HN 0.248 nan 8.250 nan 0.000 0.442 215 A N 0.986 123.918 122.820 0.188 0.000 1.969 215 A HA -0.184 4.135 4.320 -0.000 0.000 0.218 215 A C 1.768 179.465 177.584 0.189 0.000 1.169 215 A CA 1.962 54.087 52.037 0.148 0.000 0.635 215 A CB -0.599 18.462 19.000 0.102 0.000 0.810 215 A HN 0.557 nan 8.150 nan 0.000 0.445 216 D N -1.432 119.152 120.400 0.308 0.000 2.097 216 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 216 D C 1.620 178.101 176.300 0.302 0.000 0.984 216 D CA 1.348 55.574 54.000 0.377 0.000 0.826 216 D CB -0.237 40.909 40.800 0.578 0.000 0.973 216 D HN 0.354 nan 8.370 nan 0.000 0.460 217 F N 1.258 121.206 119.950 -0.004 0.000 2.102 217 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 217 F C 1.958 177.622 175.800 -0.227 0.000 1.105 217 F CA 1.242 58.895 58.000 -0.578 0.000 1.239 217 F CB -0.091 38.327 39.000 -0.969 0.000 0.991 217 F HN -0.184 nan 8.300 nan 0.000 0.474 218 K N 0.759 121.082 120.400 -0.129 0.000 2.103 218 K HA -0.109 4.210 4.320 -0.000 0.000 0.207 218 K C 2.312 178.796 176.600 -0.194 0.000 1.048 218 K CA 1.281 57.459 56.287 -0.180 0.000 0.930 218 K CB -1.217 31.283 32.500 0.000 0.000 0.716 218 K HN 0.405 nan 8.250 nan 0.000 0.444 219 A N 1.232 124.000 122.820 -0.086 0.000 1.898 219 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 219 A C 2.413 179.952 177.584 -0.075 0.000 1.181 219 A CA 1.898 53.904 52.037 -0.050 0.000 0.620 219 A CB -0.551 18.467 19.000 0.031 0.000 0.819 219 A HN 0.285 nan 8.150 nan 0.000 0.442 220 A N 0.105 122.883 122.820 -0.071 0.000 1.902 220 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 220 A C 2.335 179.858 177.584 -0.102 0.000 1.181 220 A CA 2.280 54.336 52.037 0.031 0.000 0.623 220 A CB -1.311 17.789 19.000 0.167 0.000 0.818 220 A HN 1.132 nan 8.150 nan 0.000 0.443 221 V N -2.189 117.465 119.914 -0.433 0.000 2.407 221 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 221 V C 2.546 178.369 176.094 -0.452 0.000 1.055 221 V CA 1.847 63.784 62.300 -0.605 0.000 1.049 221 V CB -1.632 29.806 31.823 -0.641 0.000 0.662 221 V HN 0.517 nan 8.190 nan 0.000 0.455 222 A N 0.831 123.461 122.820 -0.317 0.000 1.902 222 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 222 A C 2.430 179.887 177.584 -0.212 0.000 1.181 222 A CA 1.996 53.881 52.037 -0.253 0.000 0.623 222 A CB -0.590 18.307 19.000 -0.172 0.000 0.818 222 A HN 0.593 nan 8.150 nan 0.000 0.443 223 R N -0.675 119.741 120.500 -0.140 0.000 2.148 223 R HA 0.023 4.363 4.340 -0.000 0.000 0.223 223 R C 2.157 178.401 176.300 -0.094 0.000 1.088 223 R CA 0.924 56.976 56.100 -0.079 0.000 0.985 223 R CB -0.340 29.960 30.300 0.001 0.000 0.880 223 R HN 0.490 nan 8.270 nan 0.000 0.451 224 A N 0.229 122.961 122.820 -0.147 0.000 2.206 224 A HA 0.147 4.466 4.320 -0.000 0.000 0.211 224 A C 1.422 178.842 177.584 -0.273 0.000 1.158 224 A CA 0.996 52.947 52.037 -0.143 0.000 0.761 224 A CB -0.076 18.753 19.000 -0.286 0.000 0.801 224 A HN 0.456 nan 8.150 nan 0.000 0.473 225 G N -1.866 106.701 108.800 -0.388 0.000 2.144 225 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 225 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 225 G C -0.069 174.226 174.900 -1.010 0.000 0.988 225 G CA 0.186 44.950 45.100 -0.560 0.000 0.659 225 G HN 0.646 nan 8.290 nan 0.000 0.522 226 H N -0.356 118.256 119.070 -0.763 0.000 2.439 226 H HA 0.222 4.778 4.556 -0.000 0.000 0.228 226 H C -1.981 172.890 175.328 -0.762 0.000 1.423 226 H CA -0.741 54.678 56.048 -1.048 0.000 1.386 226 H CB 1.598 29.921 29.762 -2.398 0.000 1.641 226 H HN 0.162 nan 8.280 nan 0.000 0.508 227 P HA -0.169 nan 4.420 nan 0.000 0.219 227 P C 1.551 178.763 177.300 -0.146 0.000 1.146 227 P CA 1.101 64.055 63.100 -0.244 0.000 0.808 227 P CB 0.415 32.001 31.700 -0.189 0.000 0.779 228 E N -1.451 118.669 120.200 -0.132 0.000 2.358 228 E HA -0.136 4.213 4.350 -0.000 0.000 0.195 228 E C 0.188 176.870 176.600 0.137 0.000 1.010 228 E CA 0.224 56.619 56.400 -0.008 0.000 0.856 228 E CB -0.723 28.977 29.700 0.001 0.000 0.795 228 E HN 0.166 nan 8.360 nan 0.000 0.504 229 W N 2.327 123.597 121.300 -0.050 0.000 2.223 229 W HA 0.173 4.833 4.660 -0.000 0.000 0.334 229 W C 0.804 177.367 176.519 0.073 0.000 1.334 229 W CA -0.334 56.992 57.345 -0.032 0.000 1.246 229 W CB 0.290 29.685 29.460 -0.108 0.000 1.184 229 W HN -0.072 nan 8.180 nan 0.000 0.563 230 E N 1.217 121.596 120.200 0.298 0.000 2.264 230 E HA 0.380 4.730 4.350 -0.000 0.000 0.260 230 E C -0.234 176.364 176.600 -0.004 0.000 0.961 230 E CA -1.203 55.316 56.400 0.198 0.000 0.834 230 E CB 1.313 31.048 29.700 0.058 0.000 1.230 230 E HN -0.035 nan 8.360 nan 0.000 0.412 231 L N 2.095 123.155 121.223 -0.272 0.000 2.473 231 L HA 0.210 4.550 4.340 -0.000 0.000 0.268 231 L C -1.899 174.639 176.870 -0.553 0.000 1.215 231 L CA -1.535 52.843 54.840 -0.770 0.000 0.823 231 L CB -1.017 40.612 42.059 -0.716 0.000 1.099 231 L HN 0.228 nan 8.230 nan 0.000 0.483 232 P HA 0.048 nan 4.420 nan 0.000 0.262 232 P C -0.295 176.865 177.300 -0.235 0.000 1.182 232 P CA 0.174 62.929 63.100 -0.574 0.000 0.761 232 P CB 0.389 31.517 31.700 -0.954 0.000 0.795 233 D N 0.655 120.962 120.400 -0.154 0.000 2.527 233 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 233 D C -0.088 176.169 176.300 -0.070 0.000 1.217 233 D CA 0.061 54.005 54.000 -0.094 0.000 0.819 233 D CB -0.152 40.606 40.800 -0.071 0.000 1.061 233 D HN 0.278 nan 8.370 nan 0.000 0.515 234 D N 0.094 120.464 120.400 -0.049 0.000 2.623 234 D HA 0.285 4.925 4.640 -0.000 0.000 0.252 234 D C 1.028 177.342 176.300 0.023 0.000 1.294 234 D CA -0.396 53.598 54.000 -0.010 0.000 0.824 234 D CB 0.238 41.042 40.800 0.008 0.000 1.070 234 D HN 0.131 nan 8.370 nan 0.000 0.487 235 A N 0.248 123.050 122.820 -0.031 0.000 2.218 235 A HA 0.597 4.917 4.320 -0.000 0.000 0.209 235 A C 1.438 179.044 177.584 0.037 0.000 1.168 235 A CA 0.578 52.605 52.037 -0.018 0.000 0.804 235 A CB -0.379 18.530 19.000 -0.153 0.000 0.834 235 A HN 0.637 nan 8.150 nan 0.000 0.482 236 G N -0.533 108.257 108.800 -0.016 0.000 2.568 236 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.222 236 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.222 236 G C -0.383 174.463 174.900 -0.089 0.000 1.321 236 G CA -0.039 45.044 45.100 -0.027 0.000 0.893 236 G HN 0.563 nan 8.290 nan 0.000 0.569 237 K N -1.318 119.035 120.400 -0.079 0.000 2.409 237 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 237 K C 0.863 177.429 176.600 -0.056 0.000 1.036 237 K CA -0.859 55.346 56.287 -0.138 0.000 0.871 237 K CB 1.267 33.723 32.500 -0.073 0.000 1.374 237 K HN 0.376 nan 8.250 nan 0.000 0.459 238 Y N 1.018 121.380 120.300 0.103 0.000 2.062 238 Y HA -0.301 4.249 4.550 0.000 0.000 0.273 238 Y C 1.300 177.322 175.900 0.203 0.000 1.206 238 Y CA 2.092 60.332 58.100 0.234 0.000 1.125 238 Y CB -0.574 38.074 38.460 0.313 0.000 0.951 238 Y HN 0.607 nan 8.280 nan 0.000 0.501 239 N N -0.389 118.436 118.700 0.208 0.000 2.276 239 N HA 0.027 4.767 4.740 -0.000 0.000 0.212 239 N C -0.630 174.897 175.510 0.027 0.000 1.127 239 N CA -0.216 52.864 53.050 0.050 0.000 0.834 239 N CB 0.156 38.617 38.487 -0.044 0.000 1.014 239 N HN 0.176 nan 8.380 nan 0.000 0.491 240 D N 0.761 121.180 120.400 0.031 0.000 2.363 240 D HA 0.070 4.710 4.640 -0.000 0.000 0.240 240 D C 0.273 176.530 176.300 -0.072 0.000 1.236 240 D CA -0.036 53.951 54.000 -0.022 0.000 0.927 240 D CB 1.178 41.960 40.800 -0.030 0.000 1.150 240 D HN -0.092 nan 8.370 nan 0.000 0.458 241 V N -1.180 118.651 119.914 -0.139 0.000 2.630 241 V HA 0.375 4.495 4.120 -0.000 0.000 0.305 241 V C -1.950 173.888 176.094 -0.426 0.000 1.046 241 V CA -1.540 60.547 62.300 -0.354 0.000 0.934 241 V CB 1.590 33.311 31.823 -0.171 0.000 1.003 241 V HN 0.304 nan 8.190 nan 0.000 0.451 242 P HA -0.190 nan 4.420 nan 0.000 0.215 242 P C 1.476 178.693 177.300 -0.139 0.000 1.157 242 P CA 1.967 64.820 63.100 -0.411 0.000 0.868 242 P CB 0.036 31.418 31.700 -0.529 0.000 0.788 243 E N 0.434 120.540 120.200 -0.158 0.000 2.267 243 E HA -0.155 4.194 4.350 -0.000 0.000 0.197 243 E C 1.541 178.125 176.600 -0.026 0.000 0.998 243 E CA 1.653 58.023 56.400 -0.050 0.000 0.830 243 E CB -1.026 28.651 29.700 -0.038 0.000 0.751 243 E HN 0.337 nan 8.360 nan 0.000 0.491 244 S N 0.624 116.296 115.700 -0.047 0.000 2.631 244 S HA 0.006 4.476 4.470 -0.000 0.000 0.217 244 S C 0.684 175.288 174.600 0.005 0.000 0.958 244 S CA 0.105 58.293 58.200 -0.020 0.000 0.920 244 S CB -0.382 62.801 63.200 -0.027 0.000 0.776 244 S HN 0.371 nan 8.310 nan 0.000 0.517 245 T N -3.414 111.162 114.554 0.038 0.000 2.912 245 T HA 0.700 5.050 4.350 -0.000 0.000 0.288 245 T C 1.220 175.963 174.700 0.072 0.000 1.030 245 T CA -0.240 61.905 62.100 0.076 0.000 1.020 245 T CB 1.299 70.275 68.868 0.180 0.000 1.056 245 T HN 0.041 nan 8.240 nan 0.000 0.480 246 G N -0.046 108.785 108.800 0.052 0.000 2.464 246 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.217 246 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.217 246 G C 0.965 175.873 174.900 0.013 0.000 1.138 246 G CA -0.013 45.101 45.100 0.024 0.000 0.793 246 G HN 0.687 nan 8.290 nan 0.000 0.539 247 F N 0.427 120.294 119.950 -0.138 0.000 2.146 247 F HA 0.154 4.681 4.527 -0.000 0.000 0.298 247 F C 1.754 177.406 175.800 -0.246 0.000 1.096 247 F CA 1.136 58.954 58.000 -0.303 0.000 1.275 247 F CB 0.156 38.824 39.000 -0.552 0.000 1.008 247 F HN 0.110 nan 8.300 nan 0.000 0.480 248 F N 0.279 120.343 119.950 0.190 0.000 2.721 248 F HA 0.163 4.690 4.527 -0.000 0.000 0.301 248 F C 0.816 176.621 175.800 0.008 0.000 1.096 248 F CA -0.480 57.526 58.000 0.010 0.000 1.308 248 F CB -0.648 38.293 39.000 -0.098 0.000 1.086 248 F HN -0.226 nan 8.300 nan 0.000 0.587 249 K N 0.499 121.008 120.400 0.182 0.000 2.132 249 K HA 0.280 4.599 4.320 -0.000 0.000 0.240 249 K C 0.398 177.113 176.600 0.191 0.000 1.036 249 K CA -0.454 55.913 56.287 0.133 0.000 0.888 249 K CB -0.489 32.052 32.500 0.069 0.000 1.071 249 K HN 0.039 nan 8.250 nan 0.000 0.502 250 S N 0.751 116.535 115.700 0.139 0.000 2.568 250 S HA 0.070 4.540 4.470 -0.000 0.000 0.282 250 S C -0.061 174.576 174.600 0.061 0.000 1.338 250 S CA -0.290 57.994 58.200 0.139 0.000 1.045 250 S CB -0.247 63.010 63.200 0.095 0.000 0.873 250 S HN 0.648 nan 8.310 nan 0.000 0.516 251 N N -0.118 118.583 118.700 0.002 0.000 2.708 251 N HA -0.136 4.604 4.740 -0.000 0.000 0.251 251 N C 0.524 175.975 175.510 -0.099 0.000 1.123 251 N CA 1.241 54.244 53.050 -0.077 0.000 0.739 251 N CB -1.846 36.612 38.487 -0.049 0.000 1.113 251 N HN 0.952 nan 8.380 nan 0.000 0.561 252 G N -0.309 108.455 108.800 -0.059 0.000 2.553 252 G HA2 0.256 4.216 3.960 -0.000 0.000 0.278 252 G HA3 0.256 4.216 3.960 -0.000 0.000 0.278 252 G C 1.168 175.909 174.900 -0.265 0.000 1.349 252 G CA 0.571 45.620 45.100 -0.085 0.000 1.037 252 G HN 0.126 nan 8.290 nan 0.000 0.508 253 T N -0.163 114.179 114.554 -0.353 0.000 2.699 253 T HA -0.280 4.070 4.350 -0.000 0.000 0.268 253 T C 2.000 176.268 174.700 -0.720 0.000 1.036 253 T CA 2.323 64.102 62.100 -0.535 0.000 1.147 253 T CB -0.540 68.025 68.868 -0.506 0.000 0.862 253 T HN 0.648 nan 8.240 nan 0.000 0.446 254 Y N 2.014 121.694 120.300 -1.034 0.000 2.716 254 Y HA 0.202 4.752 4.550 -0.000 0.000 0.302 254 Y C 1.603 177.322 175.900 -0.303 0.000 1.160 254 Y CA -0.091 57.476 58.100 -0.888 0.000 1.362 254 Y CB -0.725 37.335 38.460 -0.666 0.000 0.988 254 Y HN 0.173 nan 8.280 nan 0.000 0.546 255 V N -3.179 116.221 119.914 -0.856 0.000 3.176 255 V HA 0.398 4.518 4.120 -0.000 0.000 0.332 255 V C 0.180 176.068 176.094 -0.344 0.000 1.414 255 V CA -0.052 61.869 62.300 -0.632 0.000 1.133 255 V CB -0.390 30.987 31.823 -0.744 0.000 1.088 255 V HN 0.222 nan 8.190 nan 0.000 0.473 256 T N 0.958 115.316 114.554 -0.327 0.000 2.895 256 T HA 0.337 4.687 4.350 -0.000 0.000 0.283 256 T C 0.998 175.573 174.700 -0.208 0.000 1.014 256 T CA -0.223 61.729 62.100 -0.247 0.000 1.037 256 T CB 1.930 70.628 68.868 -0.284 0.000 1.006 256 T HN 0.331 nan 8.240 nan 0.000 0.468 257 E N 1.842 121.952 120.200 -0.151 0.000 2.136 257 E HA -0.255 4.095 4.350 -0.000 0.000 0.208 257 E C 1.921 178.347 176.600 -0.289 0.000 1.035 257 E CA 1.740 58.085 56.400 -0.091 0.000 0.838 257 E CB -0.011 29.692 29.700 0.004 0.000 0.748 257 E HN 0.581 nan 8.360 nan 0.000 0.459 258 K N -0.274 119.721 120.400 -0.676 0.000 2.057 258 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 258 K C 2.173 178.482 176.600 -0.484 0.000 1.050 258 K CA 1.404 56.926 56.287 -1.274 0.000 0.935 258 K CB -0.308 31.323 32.500 -1.448 0.000 0.715 258 K HN 0.140 nan 8.250 nan 0.000 0.439 259 G N 1.023 109.636 108.800 -0.311 0.000 2.402 259 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 259 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 259 G C 1.261 176.191 174.900 0.050 0.000 1.162 259 G CA 0.684 45.710 45.100 -0.123 0.000 0.777 259 G HN 0.256 nan 8.290 nan 0.000 0.539 260 K N -0.514 119.904 120.400 0.030 0.000 2.057 260 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 260 K C 2.045 178.771 176.600 0.211 0.000 1.049 260 K CA 0.901 57.285 56.287 0.161 0.000 0.931 260 K CB -0.333 32.268 32.500 0.167 0.000 0.714 260 K HN 0.290 nan 8.250 nan 0.000 0.440 261 F N 0.832 120.824 119.950 0.071 0.000 2.046 261 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 261 F C 2.025 177.980 175.800 0.259 0.000 1.123 261 F CA 1.438 59.540 58.000 0.170 0.000 1.199 261 F CB -0.444 38.664 39.000 0.179 0.000 0.972 261 F HN 0.007 nan 8.300 nan 0.000 0.474 262 F N 0.864 121.041 119.950 0.378 0.000 2.095 262 F HA -0.236 4.291 4.527 -0.001 0.000 0.298 262 F C 1.919 177.796 175.800 0.129 0.000 1.104 262 F CA 1.965 60.137 58.000 0.286 0.000 1.232 262 F CB -0.841 38.127 39.000 -0.052 0.000 0.987 262 F HN -0.008 nan 8.300 nan 0.000 0.475 263 L N -0.451 120.640 121.223 -0.221 0.000 2.083 263 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 263 L C 2.346 178.968 176.870 -0.413 0.000 1.083 263 L CA 1.782 56.274 54.840 -0.580 0.000 0.752 263 L CB -1.164 40.321 42.059 -0.958 0.000 0.899 263 L HN 0.183 nan 8.230 nan 0.000 0.433 264 T N -1.502 112.991 114.554 -0.103 0.000 2.812 264 T HA -0.223 4.127 4.350 -0.000 0.000 0.264 264 T C 1.348 176.053 174.700 0.007 0.000 1.042 264 T CA 1.264 63.418 62.100 0.090 0.000 1.140 264 T CB -0.342 68.581 68.868 0.090 0.000 0.870 264 T HN 0.520 nan 8.240 nan 0.000 0.445 265 W N 0.918 122.065 121.300 -0.256 0.000 2.335 265 W HA -0.233 4.427 4.660 -0.000 0.000 0.311 265 W C 2.070 178.539 176.519 -0.083 0.000 1.213 265 W CA 1.024 58.272 57.345 -0.161 0.000 1.274 265 W CB -0.595 28.846 29.460 -0.033 0.000 1.148 265 W HN 0.287 nan 8.180 nan 0.000 0.498 266 Y N 1.824 121.890 120.300 -0.390 0.000 2.145 266 Y HA -0.266 4.283 4.550 -0.001 0.000 0.286 266 Y C 2.922 178.656 175.900 -0.276 0.000 1.145 266 Y CA 3.065 60.796 58.100 -0.616 0.000 1.148 266 Y CB -0.892 37.017 38.460 -0.919 0.000 0.981 266 Y HN 0.064 nan 8.280 nan 0.000 0.507 267 S N -0.706 114.941 115.700 -0.089 0.000 2.387 267 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 267 S C 1.695 176.253 174.600 -0.069 0.000 1.026 267 S CA 1.351 59.535 58.200 -0.026 0.000 0.972 267 S CB -0.914 62.369 63.200 0.139 0.000 0.814 267 S HN 0.636 nan 8.310 nan 0.000 0.477 268 N N 1.402 120.047 118.700 -0.092 0.000 2.244 268 N HA -0.008 4.732 4.740 -0.000 0.000 0.183 268 N C 1.690 177.109 175.510 -0.151 0.000 1.016 268 N CA 0.814 53.810 53.050 -0.090 0.000 0.866 268 N CB -0.048 38.395 38.487 -0.072 0.000 0.980 268 N HN 0.328 nan 8.380 nan 0.000 0.430 269 K N 1.113 121.343 120.400 -0.284 0.000 2.103 269 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 269 K C 1.956 178.445 176.600 -0.185 0.000 1.048 269 K CA 0.758 56.880 56.287 -0.276 0.000 0.930 269 K CB -0.295 31.958 32.500 -0.412 0.000 0.716 269 K HN 0.312 nan 8.250 nan 0.000 0.444 270 L N 0.613 121.699 121.223 -0.228 0.000 2.027 270 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 270 L C 2.504 179.357 176.870 -0.027 0.000 1.074 270 L CA 0.903 55.629 54.840 -0.190 0.000 0.745 270 L CB -0.501 41.414 42.059 -0.239 0.000 0.898 270 L HN 0.131 nan 8.230 nan 0.000 0.433 271 L N -0.182 121.025 121.223 -0.027 0.000 2.012 271 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 271 L C 2.116 179.000 176.870 0.024 0.000 1.073 271 L CA 1.889 56.735 54.840 0.011 0.000 0.748 271 L CB -0.653 41.411 42.059 0.008 0.000 0.891 271 L HN 0.382 nan 8.230 nan 0.000 0.431 272 N N -1.634 117.075 118.700 0.014 0.000 2.188 272 N HA -0.212 4.528 4.740 -0.000 0.000 0.184 272 N C 1.808 177.356 175.510 0.064 0.000 1.018 272 N CA 0.775 53.844 53.050 0.031 0.000 0.858 272 N CB -0.164 38.334 38.487 0.019 0.000 0.989 272 N HN 0.343 nan 8.380 nan 0.000 0.426 273 H N 0.245 119.285 119.070 -0.051 0.000 2.290 273 H HA -0.049 4.506 4.556 -0.001 0.000 0.298 273 H C 2.167 177.473 175.328 -0.036 0.000 1.087 273 H CA 2.165 58.188 56.048 -0.040 0.000 1.291 273 H CB -0.622 29.103 29.762 -0.062 0.000 1.369 273 H HN 0.192 nan 8.280 nan 0.000 0.492 274 G N -0.573 108.239 108.800 0.020 0.000 2.418 274 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 274 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 274 G C 1.554 176.389 174.900 -0.107 0.000 1.158 274 G CA 1.006 46.050 45.100 -0.093 0.000 0.771 274 G HN 0.545 nan 8.290 nan 0.000 0.545 275 D N 0.053 120.443 120.400 -0.017 0.000 2.117 275 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 275 D C 2.580 178.896 176.300 0.026 0.000 0.987 275 D CA 1.038 55.073 54.000 0.058 0.000 0.829 275 D CB -0.158 40.707 40.800 0.108 0.000 0.961 275 D HN 0.405 nan 8.370 nan 0.000 0.460 276 Q N -0.528 119.264 119.800 -0.014 0.000 2.123 276 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 276 Q C 2.419 178.380 176.000 -0.065 0.000 0.966 276 Q CA 0.750 56.543 55.803 -0.017 0.000 0.845 276 Q CB 0.133 28.859 28.738 -0.019 0.000 0.907 276 Q HN 0.420 nan 8.270 nan 0.000 0.439 277 I N 0.473 120.956 120.570 -0.145 0.000 2.353 277 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 277 I C 2.060 178.089 176.117 -0.146 0.000 1.119 277 I CA 0.797 62.002 61.300 -0.158 0.000 1.417 277 I CB -0.076 37.761 38.000 -0.272 0.000 1.078 277 I HN 0.187 nan 8.210 nan 0.000 0.421 278 L N 0.145 121.224 121.223 -0.240 0.000 2.083 278 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 278 L C 2.149 178.868 176.870 -0.252 0.000 1.083 278 L CA 1.166 55.773 54.840 -0.387 0.000 0.752 278 L CB -0.612 40.915 42.059 -0.887 0.000 0.899 278 L HN 0.279 nan 8.230 nan 0.000 0.433 279 D N -0.119 120.232 120.400 -0.081 0.000 2.104 279 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 279 D C 2.157 178.492 176.300 0.059 0.000 0.994 279 D CA 1.096 55.160 54.000 0.106 0.000 0.830 279 D CB 0.071 40.937 40.800 0.111 0.000 0.959 279 D HN 0.231 nan 8.370 nan 0.000 0.452 280 E N 0.489 120.701 120.200 0.020 0.000 2.110 280 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 280 E C 2.036 178.671 176.600 0.058 0.000 0.988 280 E CA 0.775 57.193 56.400 0.029 0.000 0.804 280 E CB -0.318 29.390 29.700 0.014 0.000 0.745 280 E HN 0.234 nan 8.360 nan 0.000 0.458 281 A N 1.765 124.630 122.820 0.075 0.000 1.930 281 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 281 A C 2.049 179.775 177.584 0.238 0.000 1.175 281 A CA 1.489 53.639 52.037 0.189 0.000 0.627 281 A CB -0.615 18.470 19.000 0.143 0.000 0.815 281 A HN 0.265 nan 8.150 nan 0.000 0.443 282 N N 0.510 119.301 118.700 0.153 0.000 2.244 282 N HA -0.187 4.553 4.740 -0.000 0.000 0.183 282 N C 1.815 177.412 175.510 0.144 0.000 1.016 282 N CA 1.667 54.823 53.050 0.177 0.000 0.866 282 N CB -0.154 38.453 38.487 0.200 0.000 0.980 282 N HN 0.736 nan 8.380 nan 0.000 0.430 283 K N 0.215 120.674 120.400 0.098 0.000 2.116 283 K HA 0.094 4.413 4.320 -0.000 0.000 0.203 283 K C 2.019 178.619 176.600 -0.000 0.000 1.052 283 K CA 0.966 57.285 56.287 0.053 0.000 0.952 283 K CB -0.206 32.317 32.500 0.038 0.000 0.729 283 K HN 0.037 nan 8.250 nan 0.000 0.446 284 A N 0.843 123.637 122.820 -0.043 0.000 1.933 284 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 284 A C 1.304 178.654 177.584 -0.390 0.000 1.175 284 A CA 0.962 52.851 52.037 -0.247 0.000 0.628 284 A CB -0.529 18.251 19.000 -0.368 0.000 0.814 284 A HN 0.399 nan 8.150 nan 0.000 0.444 285 F N -1.137 118.839 119.950 0.044 0.000 2.641 285 F HA 0.333 4.859 4.527 -0.001 0.000 0.302 285 F C 0.437 176.257 175.800 0.034 0.000 1.098 285 F CA -0.972 57.054 58.000 0.043 0.000 1.318 285 F CB -0.070 38.956 39.000 0.044 0.000 1.035 285 F HN 0.084 nan 8.300 nan 0.000 0.551 286 L N 0.903 122.202 121.223 0.127 0.000 2.601 286 L HA 0.284 4.623 4.340 -0.000 0.000 0.277 286 L C 1.267 178.182 176.870 0.074 0.000 1.219 286 L CA 1.200 56.097 54.840 0.095 0.000 0.915 286 L CB 0.085 42.180 42.059 0.059 0.000 1.160 286 L HN 0.489 nan 8.230 nan 0.000 0.494 287 G N 2.165 111.005 108.800 0.066 0.000 2.225 287 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 287 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 287 G C 0.517 175.452 174.900 0.059 0.000 0.988 287 G CA 0.058 45.186 45.100 0.046 0.000 0.625 287 G HN 0.836 nan 8.290 nan 0.000 0.527 288 C N 2.065 121.426 119.300 0.101 0.000 2.604 288 C HA 0.495 4.955 4.460 -0.000 0.000 0.396 288 C C 1.135 176.171 174.990 0.077 0.000 1.282 288 C CA -0.525 58.560 59.018 0.112 0.000 2.292 288 C CB 1.014 28.882 27.740 0.213 0.000 2.633 288 C HN 0.430 nan 8.230 nan 0.000 0.620 289 K N 2.394 122.829 120.400 0.059 0.000 2.278 289 K HA 0.344 4.664 4.320 -0.000 0.000 0.237 289 K C -0.298 176.322 176.600 0.034 0.000 1.229 289 K CA 0.163 56.474 56.287 0.039 0.000 1.155 289 K CB -0.613 31.907 32.500 0.033 0.000 1.590 289 K HN 0.610 nan 8.250 nan 0.000 0.290 290 V N -2.222 117.705 119.914 0.022 0.000 3.130 290 V HA 0.531 4.650 4.120 -0.000 0.000 0.310 290 V C -0.880 175.202 176.094 -0.020 0.000 1.158 290 V CA -1.332 60.956 62.300 -0.019 0.000 1.029 290 V CB 2.366 34.124 31.823 -0.108 0.000 1.057 290 V HN 0.183 nan 8.190 nan 0.000 0.436 291 K N 1.881 122.264 120.400 -0.029 0.000 2.156 291 K HA 0.679 4.999 4.320 -0.000 0.000 0.254 291 K C -1.020 175.529 176.600 -0.085 0.000 0.950 291 K CA -0.599 55.668 56.287 -0.033 0.000 0.849 291 K CB 2.510 35.000 32.500 -0.017 0.000 1.100 291 K HN 0.658 nan 8.250 nan 0.000 0.434 292 L N 1.218 122.400 121.223 -0.069 0.000 2.379 292 L HA 0.594 4.934 4.340 -0.000 0.000 0.269 292 L C 0.087 176.908 176.870 -0.083 0.000 1.084 292 L CA -0.641 54.139 54.840 -0.100 0.000 0.802 292 L CB 1.484 43.508 42.059 -0.057 0.000 1.175 292 L HN 0.720 nan 8.230 nan 0.000 0.448 293 A N 2.841 125.602 122.820 -0.098 0.000 2.587 293 A HA 0.859 5.179 4.320 -0.000 0.000 0.293 293 A C -1.048 176.490 177.584 -0.075 0.000 1.087 293 A CA -0.512 51.481 52.037 -0.072 0.000 0.692 293 A CB 1.960 20.925 19.000 -0.058 0.000 1.291 293 A HN 0.693 nan 8.150 nan 0.000 0.407 294 I N -2.108 118.431 120.570 -0.052 0.000 3.042 294 I HA 0.725 4.895 4.170 -0.000 0.000 0.310 294 I C -0.856 175.247 176.117 -0.022 0.000 1.117 294 I CA -0.972 60.300 61.300 -0.047 0.000 1.003 294 I CB 2.370 40.345 38.000 -0.042 0.000 1.228 294 I HN 0.461 nan 8.210 nan 0.000 0.443 295 K N 3.014 123.400 120.400 -0.024 0.000 2.274 295 K HA 0.682 5.001 4.320 -0.000 0.000 0.262 295 K C -1.430 175.187 176.600 0.028 0.000 0.961 295 K CA -0.819 55.462 56.287 -0.011 0.000 0.833 295 K CB 2.548 35.021 32.500 -0.045 0.000 1.102 295 K HN 0.443 nan 8.250 nan 0.000 0.436 296 V N 2.050 121.998 119.914 0.057 0.000 2.409 296 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 296 V C 0.134 176.249 176.094 0.034 0.000 1.020 296 V CA -0.661 61.706 62.300 0.112 0.000 0.848 296 V CB 1.664 33.558 31.823 0.119 0.000 0.990 296 V HN 0.806 nan 8.190 nan 0.000 0.430 297 S N 3.446 119.237 115.700 0.152 0.000 2.579 297 S HA 0.451 4.921 4.470 -0.000 0.000 0.275 297 S C 0.567 175.128 174.600 -0.065 0.000 1.345 297 S CA 0.101 58.342 58.200 0.068 0.000 1.031 297 S CB 0.805 64.175 63.200 0.283 0.000 0.892 297 S HN 1.068 nan 8.310 nan 0.000 0.529 298 G N 3.762 112.405 108.800 -0.262 0.000 2.655 298 G HA2 0.535 4.495 3.960 -0.000 0.000 0.334 298 G HA3 0.535 4.495 3.960 -0.000 0.000 0.334 298 G C -0.546 174.378 174.900 0.040 0.000 1.099 298 G CA -0.528 44.438 45.100 -0.224 0.000 1.075 298 G HN 0.725 nan 8.290 nan 0.000 0.463 299 I N 3.058 123.618 120.570 -0.016 0.000 2.313 299 I HA 0.153 4.323 4.170 -0.000 0.000 0.286 299 I C 1.169 177.068 176.117 -0.364 0.000 1.091 299 I CA -0.681 60.302 61.300 -0.529 0.000 1.216 299 I CB 0.614 38.273 38.000 -0.568 0.000 1.434 299 I HN 0.799 nan 8.210 nan 0.000 0.487 300 H N 2.529 121.554 119.070 -0.074 0.000 2.544 300 H HA 0.035 4.591 4.556 -0.001 0.000 0.269 300 H C 0.155 175.572 175.328 0.148 0.000 0.970 300 H CA -0.697 55.390 56.048 0.064 0.000 1.219 300 H CB -0.364 29.451 29.762 0.088 0.000 1.421 300 H HN 0.587 nan 8.280 nan 0.000 0.555 301 W N 0.300 121.365 121.300 -0.392 0.000 2.253 301 W HA 0.264 4.923 4.660 -0.000 0.000 0.322 301 W C -0.589 175.814 176.519 -0.192 0.000 1.342 301 W CA -1.254 55.866 57.345 -0.374 0.000 1.218 301 W CB 0.159 29.325 29.460 -0.491 0.000 1.205 301 W HN 0.380 nan 8.180 nan 0.000 0.551 302 W N 0.969 122.330 121.300 0.101 0.000 2.046 302 W HA -0.377 4.282 4.660 -0.001 0.000 0.263 302 W C 1.367 177.786 176.519 -0.167 0.000 1.048 302 W CA 0.579 57.891 57.345 -0.056 0.000 0.474 302 W CB -2.404 26.978 29.460 -0.131 0.000 2.069 302 W HN 0.698 nan 8.180 nan 0.000 1.264 303 Y N 1.580 121.833 120.300 -0.078 0.000 2.274 303 Y HA -0.100 4.449 4.550 -0.000 0.000 0.290 303 Y C 2.054 177.775 175.900 -0.297 0.000 1.145 303 Y CA 2.229 60.228 58.100 -0.168 0.000 1.203 303 Y CB -0.029 38.455 38.460 0.040 0.000 0.984 303 Y HN -0.091 nan 8.280 nan 0.000 0.533 304 K N 0.659 121.040 120.400 -0.031 0.000 2.458 304 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 304 K C -0.071 176.495 176.600 -0.056 0.000 1.024 304 K CA 0.435 56.706 56.287 -0.027 0.000 1.108 304 K CB -0.005 32.536 32.500 0.068 0.000 0.846 304 K HN 0.187 nan 8.250 nan 0.000 0.518 305 V N -2.716 117.132 119.914 -0.110 0.000 2.881 305 V HA 0.274 4.394 4.120 -0.000 0.000 0.316 305 V C 1.160 177.187 176.094 -0.111 0.000 1.070 305 V CA -0.886 61.395 62.300 -0.033 0.000 0.976 305 V CB 1.974 33.853 31.823 0.094 0.000 1.038 305 V HN -0.002 nan 8.190 nan 0.000 0.446 306 E N 1.662 121.878 120.200 0.026 0.000 2.160 306 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 306 E C 1.743 178.469 176.600 0.209 0.000 0.991 306 E CA 1.826 58.310 56.400 0.140 0.000 0.810 306 E CB -0.018 29.799 29.700 0.195 0.000 0.742 306 E HN 0.946 nan 8.360 nan 0.000 0.466 307 N N 0.015 118.722 118.700 0.012 0.000 2.409 307 N HA -0.167 4.573 4.740 -0.000 0.000 0.179 307 N C -0.116 175.389 175.510 -0.008 0.000 1.032 307 N CA 0.624 53.536 53.050 -0.230 0.000 0.898 307 N CB -0.245 37.985 38.487 -0.429 0.000 0.971 307 N HN 0.247 nan 8.380 nan 0.000 0.441 308 H N -0.038 118.993 119.070 -0.065 0.000 2.655 308 H HA -0.161 4.395 4.556 -0.000 0.000 0.313 308 H C 1.407 176.679 175.328 -0.093 0.000 1.141 308 H CA 0.378 56.421 56.048 -0.009 0.000 1.138 308 H CB -1.228 28.556 29.762 0.037 0.000 1.446 308 H HN 0.542 nan 8.280 nan 0.000 0.415 309 A N 0.735 123.391 122.820 -0.273 0.000 1.873 309 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 309 A C 2.534 179.844 177.584 -0.456 0.000 1.193 309 A CA 2.292 53.853 52.037 -0.794 0.000 0.629 309 A CB -0.698 17.413 19.000 -1.481 0.000 0.826 309 A HN 0.636 nan 8.150 nan 0.000 0.447 310 A N -0.549 122.148 122.820 -0.206 0.000 1.902 310 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 310 A C 1.907 179.391 177.584 -0.168 0.000 1.181 310 A CA 1.753 53.672 52.037 -0.195 0.000 0.623 310 A CB -0.543 18.162 19.000 -0.493 0.000 0.818 310 A HN 0.656 nan 8.150 nan 0.000 0.443 311 E N 0.017 120.186 120.200 -0.051 0.000 2.023 311 E HA -0.076 4.273 4.350 -0.000 0.000 0.196 311 E C 0.245 176.951 176.600 0.176 0.000 1.003 311 E CA 0.593 57.080 56.400 0.145 0.000 0.809 311 E CB -0.341 29.557 29.700 0.330 0.000 0.755 311 E HN 0.585 nan 8.360 nan 0.000 0.449 312 L N 0.865 122.219 121.223 0.218 0.000 2.483 312 L HA -0.052 4.288 4.340 -0.000 0.000 0.275 312 L C 1.347 178.339 176.870 0.204 0.000 1.220 312 L CA 0.865 55.908 54.840 0.339 0.000 0.833 312 L CB 0.215 42.590 42.059 0.526 0.000 1.102 312 L HN 0.518 nan 8.230 nan 0.000 0.490 313 T N -0.728 114.000 114.554 0.291 0.000 12.550 313 T HA -0.253 4.097 4.350 -0.000 0.000 0.392 313 T C 1.076 175.864 174.700 0.147 0.000 1.636 313 T CA 0.805 62.825 62.100 -0.132 0.000 2.687 313 T CB -1.366 67.208 68.868 -0.489 0.000 2.506 313 T HN 0.757 nan 8.240 nan 0.000 0.474 314 A N 1.885 124.750 122.820 0.074 0.000 2.119 314 A HA 0.611 4.931 4.320 -0.000 0.000 0.216 314 A C 2.667 180.171 177.584 -0.133 0.000 1.152 314 A CA 1.792 53.805 52.037 -0.039 0.000 0.708 314 A CB -1.121 17.799 19.000 -0.133 0.000 0.805 314 A HN 2.574 nan 8.150 nan 0.000 0.460 315 G N -2.859 105.971 108.800 0.050 0.000 2.163 315 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.213 315 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.213 315 G C -0.282 174.619 174.900 0.002 0.000 0.991 315 G CA 0.041 45.141 45.100 -0.000 0.000 0.653 315 G HN 0.354 nan 8.290 nan 0.000 0.518 316 Y N 0.678 121.058 120.300 0.135 0.000 2.594 316 Y HA 0.477 5.026 4.550 -0.000 0.000 0.342 316 Y C 0.410 176.349 175.900 0.065 0.000 1.010 316 Y CA -2.314 55.793 58.100 0.012 0.000 1.270 316 Y CB 0.259 38.701 38.460 -0.030 0.000 1.125 316 Y HN 0.217 nan 8.280 nan 0.000 0.513 317 Y N 4.167 124.504 120.300 0.063 0.000 2.603 317 Y HA 0.166 4.715 4.550 -0.000 0.000 0.341 317 Y C -0.380 175.488 175.900 -0.054 0.000 1.272 317 Y CA -1.076 57.059 58.100 0.059 0.000 1.891 317 Y CB -0.630 37.870 38.460 0.067 0.000 1.910 317 Y HN 0.524 nan 8.280 nan 0.000 0.432 318 N N 4.160 122.910 118.700 0.082 0.000 2.446 318 N HA 0.475 5.215 4.740 -0.000 0.000 0.265 318 N C -1.469 173.823 175.510 -0.364 0.000 0.975 318 N CA -0.287 52.649 53.050 -0.189 0.000 0.928 318 N CB 0.729 39.080 38.487 -0.227 0.000 1.160 318 N HN 0.442 nan 8.380 nan 0.000 0.495 319 L N 1.774 122.758 121.223 -0.398 0.000 2.235 319 L HA 0.520 4.860 4.340 -0.000 0.000 0.260 319 L C 1.060 177.706 176.870 -0.372 0.000 1.025 319 L CA -1.103 53.482 54.840 -0.425 0.000 0.836 319 L CB 1.020 43.066 42.059 -0.022 0.000 1.395 319 L HN 0.422 nan 8.230 nan 0.000 0.443 320 N N 0.786 119.415 118.700 -0.119 0.000 2.453 320 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 320 N C 0.316 175.802 175.510 -0.040 0.000 1.041 320 N CA 0.898 53.929 53.050 -0.031 0.000 0.900 320 N CB -0.209 38.317 38.487 0.065 0.000 0.961 320 N HN 0.605 nan 8.380 nan 0.000 0.443 321 D N -1.274 119.095 120.400 -0.051 0.000 2.535 321 D HA 0.090 4.730 4.640 -0.000 0.000 0.229 321 D C -0.005 176.238 176.300 -0.095 0.000 1.238 321 D CA -0.200 53.769 54.000 -0.051 0.000 0.824 321 D CB 0.247 41.033 40.800 -0.023 0.000 1.045 321 D HN -0.025 nan 8.370 nan 0.000 0.500 322 R N 1.012 121.424 120.500 -0.146 0.000 2.569 322 R HA 0.123 4.462 4.340 -0.000 0.000 0.293 322 R C -1.639 174.533 176.300 -0.213 0.000 1.186 322 R CA -0.468 55.506 56.100 -0.209 0.000 0.956 322 R CB 0.984 31.073 30.300 -0.352 0.000 1.196 322 R HN -0.152 nan 8.270 nan 0.000 0.444 323 D N 2.945 123.256 120.400 -0.149 0.000 2.344 323 D HA 0.085 4.725 4.640 -0.000 0.000 0.253 323 D C 0.761 176.956 176.300 -0.176 0.000 1.255 323 D CA 0.395 54.327 54.000 -0.113 0.000 0.894 323 D CB 1.306 42.078 40.800 -0.045 0.000 1.067 323 D HN 0.798 nan 8.370 nan 0.000 0.492 324 G N 2.752 111.377 108.800 -0.292 0.000 2.985 324 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.209 324 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.209 324 G C 0.614 175.192 174.900 -0.536 0.000 1.165 324 G CA 0.191 45.068 45.100 -0.372 0.000 0.776 324 G HN 0.460 nan 8.290 nan 0.000 0.541 325 Y N -0.687 119.575 120.300 -0.064 0.000 2.559 325 Y HA 0.285 4.835 4.550 -0.001 0.000 0.279 325 Y C 2.595 178.442 175.900 -0.090 0.000 1.117 325 Y CA -0.152 57.879 58.100 -0.115 0.000 1.263 325 Y CB -0.085 38.267 38.460 -0.180 0.000 1.230 325 Y HN 0.056 nan 8.280 nan 0.000 0.528 326 R N 0.559 121.093 120.500 0.056 0.000 2.139 326 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 326 R C -1.061 175.242 176.300 0.005 0.000 1.145 326 R CA 1.586 57.699 56.100 0.022 0.000 0.976 326 R CB -1.027 29.281 30.300 0.013 0.000 0.866 326 R HN 0.228 nan 8.270 nan 0.000 0.449 327 P HA -0.098 nan 4.420 nan 0.000 0.219 327 P C 0.969 178.273 177.300 0.006 0.000 1.150 327 P CA 1.190 64.285 63.100 -0.009 0.000 0.814 327 P CB 0.018 31.706 31.700 -0.020 0.000 0.787 328 I N -0.237 120.341 120.570 0.013 0.000 2.179 328 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 328 I C 2.383 178.512 176.117 0.020 0.000 1.088 328 I CA 1.631 62.947 61.300 0.028 0.000 1.357 328 I CB -0.929 37.098 38.000 0.045 0.000 1.051 328 I HN -0.102 nan 8.210 nan 0.000 0.409 329 A N 0.629 123.456 122.820 0.012 0.000 1.933 329 A HA -0.255 4.064 4.320 -0.000 0.000 0.218 329 A C 2.435 180.020 177.584 0.002 0.000 1.175 329 A CA 1.927 53.963 52.037 -0.001 0.000 0.628 329 A CB -0.668 18.326 19.000 -0.011 0.000 0.814 329 A HN 0.398 nan 8.150 nan 0.000 0.444 330 R N -1.122 119.381 120.500 0.003 0.000 2.075 330 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 330 R C 2.233 178.527 176.300 -0.010 0.000 1.126 330 R CA 1.491 57.588 56.100 -0.004 0.000 0.963 330 R CB -0.316 29.982 30.300 -0.004 0.000 0.858 330 R HN 0.487 nan 8.270 nan 0.000 0.435 331 M N 0.890 120.493 119.600 0.006 0.000 2.108 331 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 331 M C 1.835 178.176 176.300 0.067 0.000 1.066 331 M CA 1.732 57.048 55.300 0.026 0.000 1.107 331 M CB -0.356 32.272 32.600 0.047 0.000 1.356 331 M HN 0.326 nan 8.290 nan 0.000 0.406 332 L N 0.262 121.520 121.223 0.059 0.000 2.191 332 L HA -0.184 4.155 4.340 -0.000 0.000 0.212 332 L C 2.608 179.484 176.870 0.011 0.000 1.103 332 L CA 1.348 56.232 54.840 0.073 0.000 0.769 332 L CB -0.766 41.305 42.059 0.020 0.000 0.908 332 L HN 0.463 nan 8.230 nan 0.000 0.438 333 S N 0.879 116.554 115.700 -0.042 0.000 2.400 333 S HA -0.249 4.221 4.470 -0.000 0.000 0.232 333 S C 2.000 176.443 174.600 -0.261 0.000 1.025 333 S CA 1.232 59.370 58.200 -0.103 0.000 0.993 333 S CB -0.503 62.660 63.200 -0.061 0.000 0.808 333 S HN 0.582 nan 8.310 nan 0.000 0.478 334 R N 0.652 120.965 120.500 -0.311 0.000 2.148 334 R HA 0.027 4.367 4.340 -0.000 0.000 0.223 334 R C 1.518 177.373 176.300 -0.741 0.000 1.088 334 R CA 1.452 57.253 56.100 -0.498 0.000 0.985 334 R CB -0.813 29.207 30.300 -0.467 0.000 0.880 334 R HN 0.519 nan 8.270 nan 0.000 0.451 335 H N 0.349 119.204 119.070 -0.359 0.000 2.539 335 H HA 0.091 4.647 4.556 -0.000 0.000 0.269 335 H C -0.255 174.927 175.328 -0.244 0.000 0.980 335 H CA 0.507 56.398 56.048 -0.262 0.000 1.152 335 H CB -0.040 29.663 29.762 -0.098 0.000 1.407 335 H HN 0.504 nan 8.280 nan 0.000 0.564 336 H N -1.123 117.981 119.070 0.056 0.000 2.820 336 H HA -0.120 4.436 4.556 -0.001 0.000 0.295 336 H C 0.439 175.754 175.328 -0.022 0.000 1.187 336 H CA 0.298 56.346 56.048 0.001 0.000 1.144 336 H CB -1.522 28.237 29.762 -0.005 0.000 1.354 336 H HN 0.503 nan 8.280 nan 0.000 0.395 337 A N 0.313 123.157 122.820 0.039 0.000 2.282 337 A HA 0.705 5.024 4.320 -0.000 0.000 0.319 337 A C 0.408 177.962 177.584 -0.050 0.000 1.121 337 A CA -0.609 51.426 52.037 -0.004 0.000 0.836 337 A CB 0.955 19.951 19.000 -0.006 0.000 1.146 337 A HN 0.294 nan 8.150 nan 0.000 0.494 338 I N 0.671 121.199 120.570 -0.070 0.000 2.428 338 I HA 0.262 4.432 4.170 -0.000 0.000 0.296 338 I C -0.264 175.833 176.117 -0.033 0.000 0.985 338 I CA -0.253 61.001 61.300 -0.077 0.000 1.260 338 I CB 1.492 39.449 38.000 -0.073 0.000 1.389 338 I HN 0.543 nan 8.210 nan 0.000 0.484 339 L N 7.028 128.237 121.223 -0.025 0.000 2.259 339 L HA 0.327 4.667 4.340 -0.000 0.000 0.288 339 L C -0.056 176.836 176.870 0.036 0.000 1.051 339 L CA -0.121 54.716 54.840 -0.005 0.000 0.824 339 L CB 0.170 42.207 42.059 -0.037 0.000 1.206 339 L HN 0.653 nan 8.230 nan 0.000 0.429 340 N N 4.487 123.217 118.700 0.050 0.000 2.500 340 N HA 0.120 4.859 4.740 -0.000 0.000 0.236 340 N C -1.056 174.520 175.510 0.111 0.000 1.022 340 N CA -0.647 52.449 53.050 0.077 0.000 0.935 340 N CB 0.531 39.041 38.487 0.039 0.000 1.147 340 N HN 0.425 nan 8.380 nan 0.000 0.512 341 F N 4.127 124.052 119.950 -0.041 0.000 2.413 341 F HA 0.137 4.664 4.527 0.000 0.000 0.359 341 F C 1.516 177.301 175.800 -0.026 0.000 1.122 341 F CA -0.566 57.394 58.000 -0.067 0.000 1.160 341 F CB 0.743 39.670 39.000 -0.122 0.000 1.146 341 F HN 0.439 nan 8.300 nan 0.000 0.514 342 T N 1.689 115.971 114.554 -0.454 0.000 3.439 342 T HA 0.084 4.434 4.350 -0.000 0.000 0.251 342 T C 0.164 174.660 174.700 -0.341 0.000 1.108 342 T CA -0.160 61.764 62.100 -0.293 0.000 0.982 342 T CB -1.099 67.665 68.868 -0.173 0.000 1.024 342 T HN 0.531 nan 8.240 nan 0.000 0.573 343 C N 0.965 119.960 119.300 -0.507 0.000 2.620 343 C HA 0.640 5.100 4.460 -0.000 0.000 0.356 343 C C 0.475 175.401 174.990 -0.107 0.000 1.082 343 C CA -0.811 58.035 59.018 -0.287 0.000 1.293 343 C CB -0.360 27.206 27.740 -0.289 0.000 1.836 343 C HN 0.677 nan 8.230 nan 0.000 0.453 344 L N 4.045 125.257 121.223 -0.019 0.000 2.948 344 L HA 0.249 4.589 4.340 -0.000 0.000 0.259 344 L C 2.395 179.292 176.870 0.045 0.000 1.136 344 L CA 0.210 55.098 54.840 0.081 0.000 0.959 344 L CB -0.019 42.121 42.059 0.135 0.000 1.370 344 L HN 0.797 nan 8.230 nan 0.000 0.552 345 E N 0.839 121.024 120.200 -0.025 0.000 2.385 345 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 345 E C 0.706 177.258 176.600 -0.081 0.000 1.013 345 E CA 0.169 56.539 56.400 -0.051 0.000 0.866 345 E CB 0.101 29.738 29.700 -0.106 0.000 0.832 345 E HN 0.351 nan 8.360 nan 0.000 0.500 346 M N 1.598 121.129 119.600 -0.115 0.000 2.242 346 M HA 0.295 4.775 4.480 -0.000 0.000 0.344 346 M C 0.428 176.656 176.300 -0.121 0.000 1.140 346 M CA 0.066 55.272 55.300 -0.156 0.000 1.160 346 M CB 0.965 33.405 32.600 -0.268 0.000 1.491 346 M HN -0.246 nan 8.290 nan 0.000 0.459 347 R N 1.123 121.558 120.500 -0.110 0.000 2.532 347 R HA 0.202 4.542 4.340 -0.000 0.000 0.295 347 R C -0.056 176.193 176.300 -0.085 0.000 0.968 347 R CA -0.879 55.175 56.100 -0.077 0.000 0.916 347 R CB 1.202 31.473 30.300 -0.049 0.000 1.124 347 R HN 0.642 nan 8.270 nan 0.000 0.463 348 D N 0.662 121.023 120.400 -0.065 0.000 2.133 348 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 348 D C 1.669 177.950 176.300 -0.032 0.000 0.997 348 D CA 1.991 55.963 54.000 -0.045 0.000 0.840 348 D CB -0.080 40.705 40.800 -0.025 0.000 0.947 348 D HN 0.547 nan 8.370 nan 0.000 0.452 349 S N -0.209 115.474 115.700 -0.029 0.000 2.595 349 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 349 S C 1.331 175.913 174.600 -0.029 0.000 0.974 349 S CA 0.553 58.740 58.200 -0.022 0.000 0.942 349 S CB -0.256 62.934 63.200 -0.016 0.000 0.766 349 S HN 0.283 nan 8.310 nan 0.000 0.536 350 E N 0.469 120.642 120.200 -0.045 0.000 2.474 350 E HA 0.142 4.492 4.350 -0.000 0.000 0.195 350 E C 0.016 176.591 176.600 -0.042 0.000 1.039 350 E CA -0.045 56.324 56.400 -0.052 0.000 0.881 350 E CB 0.232 29.884 29.700 -0.080 0.000 0.970 350 E HN 0.524 nan 8.360 nan 0.000 0.486 351 Q N 1.588 121.373 119.800 -0.024 0.000 2.230 351 Q HA 0.265 4.605 4.340 -0.000 0.000 0.253 351 Q C -2.225 173.787 176.000 0.019 0.000 0.919 351 Q CA -2.425 53.387 55.803 0.016 0.000 0.908 351 Q CB 0.318 29.085 28.738 0.048 0.000 1.245 351 Q HN 0.017 nan 8.270 nan 0.000 0.437 352 P HA -0.006 nan 4.420 nan 0.000 0.264 352 P C 0.519 177.803 177.300 -0.026 0.000 1.183 352 P CA 0.240 63.346 63.100 0.009 0.000 0.763 352 P CB 0.783 32.489 31.700 0.010 0.000 0.807 353 S N 1.336 117.020 115.700 -0.027 0.000 2.399 353 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 353 S C 1.292 175.858 174.600 -0.056 0.000 1.022 353 S CA 1.472 59.655 58.200 -0.029 0.000 0.983 353 S CB -0.550 62.643 63.200 -0.012 0.000 0.803 353 S HN 0.671 nan 8.310 nan 0.000 0.480 354 D N 0.698 121.056 120.400 -0.070 0.000 2.363 354 D HA 0.097 4.737 4.640 -0.000 0.000 0.226 354 D C 1.431 177.578 176.300 -0.255 0.000 1.020 354 D CA 0.729 54.683 54.000 -0.076 0.000 0.892 354 D CB -0.206 40.572 40.800 -0.036 0.000 0.900 354 D HN 0.418 nan 8.370 nan 0.000 0.531 355 A N 0.926 123.544 122.820 -0.337 0.000 2.123 355 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 355 A C 0.860 178.000 177.584 -0.740 0.000 1.152 355 A CA 0.027 51.681 52.037 -0.639 0.000 0.728 355 A CB -0.217 18.598 19.000 -0.308 0.000 0.814 355 A HN 0.045 nan 8.150 nan 0.000 0.464 356 K N 0.616 120.810 120.400 -0.343 0.000 3.148 356 K HA -0.118 4.202 4.320 -0.000 0.000 0.267 356 K C -0.471 176.086 176.600 -0.073 0.000 0.996 356 K CA 0.897 57.091 56.287 -0.155 0.000 0.737 356 K CB -2.656 29.808 32.500 -0.060 0.000 1.308 356 K HN 0.447 nan 8.250 nan 0.000 0.470 357 S N -0.242 115.456 115.700 -0.003 0.000 2.537 357 S HA 0.511 4.980 4.470 -0.000 0.000 0.275 357 S C 1.058 175.737 174.600 0.132 0.000 1.272 357 S CA -0.004 58.283 58.200 0.145 0.000 1.050 357 S CB 1.686 65.047 63.200 0.268 0.000 0.961 357 S HN 0.479 nan 8.310 nan 0.000 0.496 358 G N 3.248 112.146 108.800 0.163 0.000 4.956 358 G HA2 0.332 4.292 3.960 -0.000 0.000 0.290 358 G HA3 0.332 4.292 3.960 -0.000 0.000 0.290 358 G C -1.986 172.830 174.900 -0.139 0.000 1.352 358 G CA -1.091 44.043 45.100 0.056 0.000 0.983 358 G HN 0.448 nan 8.290 nan 0.000 0.581 359 P HA -0.223 nan 4.420 nan 0.000 0.215 359 P C 1.555 178.744 177.300 -0.185 0.000 1.157 359 P CA 1.278 64.283 63.100 -0.157 0.000 0.874 359 P CB 0.368 31.890 31.700 -0.295 0.000 0.790 360 Q N -0.304 119.396 119.800 -0.166 0.000 2.119 360 Q HA -0.171 4.168 4.340 -0.000 0.000 0.201 360 Q C 2.149 177.972 176.000 -0.295 0.000 0.972 360 Q CA 1.331 57.020 55.803 -0.190 0.000 0.847 360 Q CB -0.482 28.170 28.738 -0.144 0.000 0.903 360 Q HN 0.313 nan 8.270 nan 0.000 0.433 361 E N 0.745 120.777 120.200 -0.280 0.000 2.072 361 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 361 E C 1.705 178.047 176.600 -0.431 0.000 0.982 361 E CA 0.498 56.728 56.400 -0.282 0.000 0.803 361 E CB -0.164 29.492 29.700 -0.074 0.000 0.755 361 E HN 0.148 nan 8.360 nan 0.000 0.453 362 L N 0.287 121.075 121.223 -0.726 0.000 1.989 362 L HA -0.188 4.151 4.340 -0.000 0.000 0.211 362 L C 2.070 178.643 176.870 -0.495 0.000 1.071 362 L CA 1.527 55.921 54.840 -0.743 0.000 0.749 362 L CB -0.673 40.986 42.059 -0.667 0.000 0.890 362 L HN 0.027 nan 8.230 nan 0.000 0.431 363 V N -0.104 119.600 119.914 -0.350 0.000 2.231 363 V HA -0.420 3.700 4.120 -0.000 0.000 0.250 363 V C 2.631 178.487 176.094 -0.395 0.000 1.058 363 V CA 2.418 64.528 62.300 -0.316 0.000 1.022 363 V CB -0.817 30.973 31.823 -0.055 0.000 0.640 363 V HN 0.616 nan 8.190 nan 0.000 0.445 364 Q N -0.766 118.701 119.800 -0.554 0.000 2.135 364 Q HA -0.298 4.042 4.340 -0.000 0.000 0.204 364 Q C 2.339 178.157 176.000 -0.303 0.000 0.981 364 Q CA 1.940 57.296 55.803 -0.746 0.000 0.856 364 Q CB -0.237 27.836 28.738 -1.108 0.000 0.902 364 Q HN 0.717 nan 8.270 nan 0.000 0.425 365 Q N 0.387 120.024 119.800 -0.271 0.000 1.993 365 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 365 Q C 2.155 178.031 176.000 -0.207 0.000 0.984 365 Q CA 1.616 57.333 55.803 -0.143 0.000 0.837 365 Q CB 0.075 28.796 28.738 -0.028 0.000 0.902 365 Q HN 0.257 nan 8.270 nan 0.000 0.423 366 V N 1.445 121.080 119.914 -0.465 0.000 2.295 366 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 366 V C 2.430 178.231 176.094 -0.488 0.000 1.049 366 V CA 1.616 63.533 62.300 -0.638 0.000 1.024 366 V CB -0.597 30.414 31.823 -1.353 0.000 0.648 366 V HN 0.405 nan 8.190 nan 0.000 0.447 367 L N -0.350 120.587 121.223 -0.476 0.000 2.017 367 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 367 L C 2.636 179.211 176.870 -0.492 0.000 1.073 367 L CA 1.806 56.273 54.840 -0.621 0.000 0.745 367 L CB -0.998 40.672 42.059 -0.648 0.000 0.894 367 L HN 0.314 nan 8.230 nan 0.000 0.432 368 S N 0.492 116.235 115.700 0.071 0.000 2.370 368 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 368 S C 2.071 176.844 174.600 0.288 0.000 1.033 368 S CA 1.342 59.840 58.200 0.497 0.000 1.011 368 S CB -0.696 62.758 63.200 0.425 0.000 0.852 368 S HN 0.619 nan 8.310 nan 0.000 0.457 369 G N 1.207 110.040 108.800 0.056 0.000 2.440 369 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 369 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 369 G C 1.428 176.347 174.900 0.032 0.000 1.154 369 G CA 1.044 46.165 45.100 0.035 0.000 0.767 369 G HN 0.569 nan 8.290 nan 0.000 0.552 370 G N -0.080 108.667 108.800 -0.089 0.000 2.433 370 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 370 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 370 G C 1.592 176.519 174.900 0.044 0.000 1.186 370 G CA 0.906 45.938 45.100 -0.113 0.000 0.779 370 G HN 0.370 nan 8.290 nan 0.000 0.543 371 W N 0.961 122.336 121.300 0.126 0.000 2.363 371 W HA -0.000 4.660 4.660 -0.000 0.000 0.296 371 W C 2.706 179.341 176.519 0.193 0.000 1.212 371 W CA 0.895 58.310 57.345 0.117 0.000 1.260 371 W CB -0.699 28.788 29.460 0.045 0.000 1.131 371 W HN 0.267 nan 8.180 nan 0.000 0.530 372 R N 0.836 121.633 120.500 0.496 0.000 2.096 372 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 372 R C 1.615 178.032 176.300 0.194 0.000 1.127 372 R CA 1.614 57.921 56.100 0.344 0.000 0.968 372 R CB -0.251 30.186 30.300 0.228 0.000 0.861 372 R HN -0.133 nan 8.270 nan 0.000 0.440 373 E N 0.505 120.792 120.200 0.145 0.000 2.489 373 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 373 E C -0.316 176.333 176.600 0.083 0.000 1.057 373 E CA 0.446 56.897 56.400 0.085 0.000 0.866 373 E CB 0.048 29.776 29.700 0.047 0.000 0.916 373 E HN 0.341 nan 8.360 nan 0.000 0.500 374 D N 0.357 120.834 120.400 0.128 0.000 2.739 374 D HA -0.175 4.464 4.640 -0.000 0.000 0.240 374 D C -0.434 175.912 176.300 0.078 0.000 1.114 374 D CA 0.487 54.556 54.000 0.114 0.000 0.695 374 D CB -1.566 39.283 40.800 0.082 0.000 1.078 374 D HN 0.400 nan 8.370 nan 0.000 0.434 375 I N -3.376 117.241 120.570 0.077 0.000 3.023 375 I HA 0.652 4.822 4.170 -0.000 0.000 0.312 375 I C 0.314 176.448 176.117 0.028 0.000 1.056 375 I CA -1.329 59.983 61.300 0.021 0.000 1.033 375 I CB 1.505 39.499 38.000 -0.010 0.000 1.233 375 I HN -0.178 nan 8.210 nan 0.000 0.462 376 R N 1.772 122.230 120.500 -0.070 0.000 2.410 376 R HA 0.674 5.014 4.340 -0.000 0.000 0.288 376 R C -1.178 175.105 176.300 -0.029 0.000 1.051 376 R CA -0.715 55.328 56.100 -0.096 0.000 1.021 376 R CB 1.677 31.670 30.300 -0.512 0.000 1.032 376 R HN 0.472 nan 8.270 nan 0.000 0.481 377 V N 2.014 121.983 119.914 0.091 0.000 2.487 377 V HA 0.672 4.792 4.120 -0.000 0.000 0.298 377 V C -0.273 175.923 176.094 0.171 0.000 1.028 377 V CA -0.577 61.732 62.300 0.015 0.000 0.860 377 V CB 1.581 33.230 31.823 -0.289 0.000 0.991 377 V HN 0.987 nan 8.190 nan 0.000 0.427 378 A N 3.282 126.199 122.820 0.161 0.000 2.437 378 A HA 1.088 5.408 4.320 -0.000 0.000 0.288 378 A C 0.012 177.708 177.584 0.186 0.000 1.201 378 A CA -0.171 52.002 52.037 0.227 0.000 0.795 378 A CB 2.066 21.219 19.000 0.256 0.000 1.359 378 A HN 1.370 nan 8.150 nan 0.000 0.435 379 G N -1.241 107.676 108.800 0.195 0.000 2.600 379 G HA2 0.604 4.564 3.960 -0.000 0.000 0.293 379 G HA3 0.604 4.564 3.960 -0.000 0.000 0.293 379 G C -1.724 173.261 174.900 0.142 0.000 1.408 379 G CA -0.556 44.643 45.100 0.165 0.000 0.782 379 G HN 0.742 nan 8.290 nan 0.000 0.482 380 E N -0.208 120.038 120.200 0.076 0.000 2.416 380 E HA 0.324 4.674 4.350 -0.000 0.000 0.273 380 E C -0.772 175.830 176.600 0.003 0.000 0.935 380 E CA -1.131 55.305 56.400 0.059 0.000 0.784 380 E CB 2.041 31.749 29.700 0.014 0.000 1.301 380 E HN 0.623 nan 8.360 nan 0.000 0.454 381 N N 0.297 118.982 118.700 -0.025 0.000 2.530 381 N HA 0.188 4.927 4.740 -0.000 0.000 0.277 381 N C 0.015 175.445 175.510 -0.133 0.000 1.168 381 N CA -0.081 52.913 53.050 -0.094 0.000 0.979 381 N CB 1.682 40.073 38.487 -0.159 0.000 1.141 381 N HN 0.525 nan 8.380 nan 0.000 0.459 382 A N 1.971 124.711 122.820 -0.133 0.000 1.943 382 A HA 0.220 4.540 4.320 -0.000 0.000 0.213 382 A C 0.959 178.468 177.584 -0.126 0.000 1.181 382 A CA 0.483 52.453 52.037 -0.112 0.000 0.653 382 A CB 0.004 18.956 19.000 -0.080 0.000 0.833 382 A HN 0.648 nan 8.150 nan 0.000 0.451 383 L N -0.860 120.261 121.223 -0.170 0.000 2.333 383 L HA 0.411 4.750 4.340 -0.000 0.000 0.263 383 L C -2.748 173.963 176.870 -0.264 0.000 1.014 383 L CA -2.605 52.125 54.840 -0.183 0.000 0.820 383 L CB 2.033 43.989 42.059 -0.172 0.000 1.352 383 L HN -0.133 nan 8.230 nan 0.000 0.421 384 P HA 0.171 nan 4.420 nan 0.000 0.266 384 P C -1.163 175.833 177.300 -0.507 0.000 1.215 384 P CA 0.002 62.861 63.100 -0.402 0.000 0.763 384 P CB 0.398 31.954 31.700 -0.241 0.000 0.806 385 R N 2.985 123.082 120.500 -0.672 0.000 2.744 385 R HA 0.354 4.694 4.340 -0.000 0.000 0.279 385 R C -0.380 175.467 176.300 -0.755 0.000 0.977 385 R CA -0.549 55.193 56.100 -0.598 0.000 0.906 385 R CB 1.518 31.559 30.300 -0.432 0.000 1.197 385 R HN 0.447 nan 8.270 nan 0.000 0.463 386 Y N -0.650 119.559 120.300 -0.151 0.000 2.626 386 Y HA 0.105 4.655 4.550 -0.001 0.000 0.248 386 Y C 0.478 176.289 175.900 -0.147 0.000 1.147 386 Y CA -0.687 57.367 58.100 -0.077 0.000 1.219 386 Y CB 0.793 39.292 38.460 0.065 0.000 1.279 386 Y HN 0.479 nan 8.280 nan 0.000 0.541 387 D N -0.158 120.122 120.400 -0.201 0.000 2.326 387 D HA 0.365 5.005 4.640 -0.000 0.000 0.251 387 D C 1.065 177.273 176.300 -0.153 0.000 1.023 387 D CA -0.048 53.893 54.000 -0.099 0.000 0.966 387 D CB 2.229 42.991 40.800 -0.065 0.000 1.156 387 D HN 0.047 nan 8.370 nan 0.000 0.494 388 A N 1.504 124.348 122.820 0.040 0.000 1.972 388 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 388 A C 2.097 179.707 177.584 0.043 0.000 1.169 388 A CA 1.864 53.969 52.037 0.113 0.000 0.635 388 A CB -0.971 18.094 19.000 0.109 0.000 0.810 388 A HN 0.716 nan 8.150 nan 0.000 0.446 389 T N 0.533 115.076 114.554 -0.019 0.000 2.607 389 T HA -0.143 4.206 4.350 -0.000 0.000 0.267 389 T C 2.274 176.937 174.700 -0.061 0.000 1.049 389 T CA 2.080 64.162 62.100 -0.030 0.000 1.162 389 T CB -0.667 68.174 68.868 -0.046 0.000 0.863 389 T HN 0.651 nan 8.240 nan 0.000 0.424 390 A N 0.822 123.545 122.820 -0.162 0.000 1.859 390 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 390 A C 2.115 179.603 177.584 -0.160 0.000 1.198 390 A CA 1.988 53.892 52.037 -0.223 0.000 0.629 390 A CB -1.330 17.427 19.000 -0.404 0.000 0.830 390 A HN 0.556 nan 8.150 nan 0.000 0.446 391 Y N 0.713 120.927 120.300 -0.145 0.000 2.114 391 Y HA -0.215 4.335 4.550 -0.001 0.000 0.282 391 Y C 2.468 178.362 175.900 -0.010 0.000 1.165 391 Y CA 1.424 59.396 58.100 -0.213 0.000 1.148 391 Y CB -0.737 37.592 38.460 -0.218 0.000 0.972 391 Y HN 0.341 nan 8.280 nan 0.000 0.504 392 N N -0.158 118.642 118.700 0.166 0.000 2.309 392 N HA -0.155 4.584 4.740 -0.000 0.000 0.182 392 N C 1.833 177.414 175.510 0.119 0.000 1.018 392 N CA 1.062 54.192 53.050 0.133 0.000 0.876 392 N CB -0.306 38.235 38.487 0.090 0.000 0.972 392 N HN 0.382 nan 8.380 nan 0.000 0.434 393 Q N 1.028 120.884 119.800 0.092 0.000 2.083 393 Q HA 0.115 4.455 4.340 -0.000 0.000 0.198 393 Q C 1.968 178.054 176.000 0.144 0.000 0.969 393 Q CA 0.992 56.853 55.803 0.098 0.000 0.838 393 Q CB -0.216 28.549 28.738 0.045 0.000 0.900 393 Q HN 0.363 nan 8.270 nan 0.000 0.436 394 I N -0.291 120.371 120.570 0.153 0.000 2.252 394 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 394 I C 1.960 178.220 176.117 0.239 0.000 1.102 394 I CA 0.954 62.383 61.300 0.216 0.000 1.385 394 I CB -0.243 37.917 38.000 0.266 0.000 1.064 394 I HN 0.208 nan 8.210 nan 0.000 0.414 395 I N 0.172 120.888 120.570 0.244 0.000 2.264 395 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 395 I C 2.463 178.630 176.117 0.084 0.000 1.111 395 I CA 1.085 62.473 61.300 0.146 0.000 1.382 395 I CB -0.292 37.777 38.000 0.115 0.000 1.060 395 I HN 0.253 nan 8.210 nan 0.000 0.418 396 L N 1.052 122.340 121.223 0.109 0.000 2.017 396 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 396 L C 2.134 179.037 176.870 0.056 0.000 1.073 396 L CA 1.942 56.831 54.840 0.083 0.000 0.745 396 L CB -0.931 41.221 42.059 0.154 0.000 0.894 396 L HN 0.200 nan 8.230 nan 0.000 0.432 397 N N 0.217 119.037 118.700 0.200 0.000 2.223 397 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 397 N C 1.793 177.404 175.510 0.169 0.000 1.016 397 N CA 1.386 54.602 53.050 0.276 0.000 0.863 397 N CB -0.374 38.328 38.487 0.357 0.000 0.983 397 N HN 0.559 nan 8.380 nan 0.000 0.429 398 A N 0.474 123.370 122.820 0.127 0.000 1.930 398 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 398 A C 0.996 178.599 177.584 0.031 0.000 1.175 398 A CA 1.227 53.331 52.037 0.111 0.000 0.627 398 A CB 0.093 19.131 19.000 0.064 0.000 0.815 398 A HN 0.151 nan 8.150 nan 0.000 0.443 399 K N -0.891 119.467 120.400 -0.069 0.000 2.920 399 K HA 0.239 4.558 4.320 -0.000 0.000 0.175 399 K C -2.481 173.952 176.600 -0.279 0.000 1.099 399 K CA -1.490 54.694 56.287 -0.171 0.000 0.939 399 K CB 1.617 34.036 32.500 -0.136 0.000 1.148 399 K HN 0.058 nan 8.250 nan 0.000 0.613 400 P HA -0.196 nan 4.420 nan 0.000 0.220 400 P C 0.466 177.501 177.300 -0.441 0.000 1.144 400 P CA 1.301 63.921 63.100 -0.800 0.000 0.800 400 P CB 0.281 30.975 31.700 -1.678 0.000 0.772 401 Q N -1.246 118.353 119.800 -0.336 0.000 2.188 401 Q HA 0.380 4.720 4.340 -0.000 0.000 0.212 401 Q C 0.728 176.643 176.000 -0.143 0.000 0.846 401 Q CA 0.051 55.735 55.803 -0.198 0.000 0.989 401 Q CB 0.443 29.065 28.738 -0.194 0.000 1.114 401 Q HN 0.158 nan 8.270 nan 0.000 0.488 402 G N 0.083 108.797 108.800 -0.144 0.000 2.760 402 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 402 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 402 G C -0.667 174.168 174.900 -0.109 0.000 1.359 402 G CA -0.720 44.319 45.100 -0.102 0.000 0.861 402 G HN 0.088 nan 8.290 nan 0.000 0.541 403 V N 1.121 120.984 119.914 -0.085 0.000 2.686 403 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 403 V C 0.524 176.575 176.094 -0.072 0.000 1.057 403 V CA -0.194 62.058 62.300 -0.080 0.000 1.012 403 V CB 1.669 33.452 31.823 -0.067 0.000 1.006 403 V HN 0.910 nan 8.190 nan 0.000 0.477 404 N N 2.887 121.545 118.700 -0.071 0.000 2.485 404 N HA 0.178 4.917 4.740 -0.000 0.000 0.243 404 N C 0.625 176.106 175.510 -0.048 0.000 0.987 404 N CA -0.423 52.591 53.050 -0.060 0.000 0.940 404 N CB 0.597 39.044 38.487 -0.067 0.000 1.122 404 N HN 0.732 nan 8.380 nan 0.000 0.509 405 N N 1.942 120.617 118.700 -0.042 0.000 2.521 405 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 405 N C -0.500 174.991 175.510 -0.032 0.000 1.146 405 N CA 0.277 53.306 53.050 -0.036 0.000 0.893 405 N CB -0.058 38.410 38.487 -0.032 0.000 0.975 405 N HN 0.485 nan 8.380 nan 0.000 0.451 406 N N -0.418 118.262 118.700 -0.033 0.000 2.588 406 N HA 0.320 5.060 4.740 -0.000 0.000 0.298 406 N C -0.280 175.212 175.510 -0.031 0.000 1.718 406 N CA -0.393 52.640 53.050 -0.029 0.000 0.888 406 N CB 1.238 39.709 38.487 -0.026 0.000 1.389 406 N HN 0.275 nan 8.380 nan 0.000 0.491 407 G N 1.200 109.980 108.800 -0.034 0.000 2.341 407 G HA2 0.131 4.091 3.960 -0.000 0.000 0.293 407 G HA3 0.131 4.091 3.960 -0.000 0.000 0.293 407 G C -3.495 171.382 174.900 -0.039 0.000 1.298 407 G CA -0.781 44.298 45.100 -0.034 0.000 0.868 407 G HN -0.060 nan 8.290 nan 0.000 0.540 408 P HA 0.344 nan 4.420 nan 0.000 0.274 408 P C -2.506 174.750 177.300 -0.074 0.000 1.231 408 P CA -1.135 61.941 63.100 -0.041 0.000 0.790 408 P CB 0.198 31.878 31.700 -0.032 0.000 0.951 409 P HA 0.077 nan 4.420 nan 0.000 0.272 409 P C 0.800 177.982 177.300 -0.197 0.000 1.223 409 P CA -0.132 62.883 63.100 -0.142 0.000 0.784 409 P CB 0.776 32.382 31.700 -0.157 0.000 0.923 410 K N 1.380 121.638 120.400 -0.237 0.000 2.217 410 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 410 K C 0.048 176.354 176.600 -0.491 0.000 1.051 410 K CA 0.931 57.040 56.287 -0.297 0.000 0.952 410 K CB -0.083 32.267 32.500 -0.250 0.000 0.736 410 K HN 0.414 nan 8.250 nan 0.000 0.453 411 L N 1.028 121.892 121.223 -0.599 0.000 2.410 411 L HA 0.347 4.687 4.340 -0.000 0.000 0.270 411 L C -1.005 175.430 176.870 -0.725 0.000 0.983 411 L CA -0.902 53.334 54.840 -1.007 0.000 0.822 411 L CB 2.200 43.397 42.059 -1.438 0.000 1.285 411 L HN 0.038 nan 8.230 nan 0.000 0.409 412 S N 1.983 117.310 115.700 -0.622 0.000 2.537 412 S HA 0.688 5.158 4.470 -0.000 0.000 0.271 412 S C -0.851 173.901 174.600 0.254 0.000 1.148 412 S CA -1.055 57.062 58.200 -0.140 0.000 0.868 412 S CB 1.632 64.799 63.200 -0.055 0.000 1.115 412 S HN 0.515 nan 8.310 nan 0.000 0.461 413 M N 1.808 121.632 119.600 0.373 0.000 2.228 413 M HA 0.381 4.861 4.480 -0.000 0.000 0.326 413 M C 0.340 176.893 176.300 0.422 0.000 1.122 413 M CA -0.437 55.141 55.300 0.464 0.000 1.161 413 M CB 0.282 33.095 32.600 0.354 0.000 1.437 413 M HN 0.849 nan 8.290 nan 0.000 0.465 414 F N 0.368 120.489 119.950 0.285 0.000 2.569 414 F HA 0.334 4.860 4.527 -0.001 0.000 0.295 414 F C 0.796 176.852 175.800 0.425 0.000 1.115 414 F CA 0.637 58.825 58.000 0.312 0.000 1.450 414 F CB 0.439 39.547 39.000 0.179 0.000 1.107 414 F HN 0.547 nan 8.300 nan 0.000 0.563 415 G N -0.459 108.554 108.800 0.355 0.000 2.355 415 G HA2 0.464 4.424 3.960 -0.000 0.000 0.296 415 G HA3 0.464 4.424 3.960 -0.000 0.000 0.296 415 G C -2.329 172.758 174.900 0.312 0.000 1.507 415 G CA -0.587 44.712 45.100 0.330 0.000 0.823 415 G HN -0.040 nan 8.290 nan 0.000 0.569 416 V N 0.333 120.433 119.914 0.310 0.000 2.686 416 V HA 0.665 4.784 4.120 -0.000 0.000 0.306 416 V C -0.298 176.031 176.094 0.392 0.000 1.065 416 V CA -0.664 61.819 62.300 0.304 0.000 0.894 416 V CB 2.249 34.236 31.823 0.272 0.000 1.004 416 V HN 0.889 nan 8.190 nan 0.000 0.424 417 T N 4.760 119.526 114.554 0.354 0.000 2.801 417 T HA 0.364 4.714 4.350 -0.000 0.000 0.306 417 T C -0.494 174.401 174.700 0.325 0.000 1.020 417 T CA -0.153 62.164 62.100 0.363 0.000 0.948 417 T CB 0.121 69.136 68.868 0.244 0.000 0.962 417 T HN 0.513 nan 8.240 nan 0.000 0.465 418 Y N 3.470 123.947 120.300 0.296 0.000 2.550 418 Y HA 0.220 4.770 4.550 -0.001 0.000 0.343 418 Y C 0.222 176.225 175.900 0.172 0.000 1.245 418 Y CA -0.788 57.477 58.100 0.275 0.000 1.462 418 Y CB 0.450 39.188 38.460 0.463 0.000 1.340 418 Y HN 0.578 nan 8.280 nan 0.000 0.604 419 L N 7.851 128.642 121.223 -0.720 0.000 2.356 419 L HA 0.343 4.682 4.340 -0.000 0.000 0.282 419 L C -0.352 176.271 176.870 -0.412 0.000 1.132 419 L CA 0.048 54.606 54.840 -0.470 0.000 0.923 419 L CB -0.591 41.205 42.059 -0.438 0.000 1.278 419 L HN 0.921 nan 8.230 nan 0.000 0.436 420 R N 3.048 123.513 120.500 -0.058 0.000 0.926 420 R HA -0.111 4.229 4.340 -0.000 0.000 0.433 420 R C -1.576 174.832 176.300 0.180 0.000 1.365 420 R CA 0.119 56.257 56.100 0.063 0.000 1.133 420 R CB -0.120 30.196 30.300 0.027 0.000 3.323 420 R HN 0.613 nan 8.270 nan 0.000 0.520 421 L N 4.498 125.815 121.223 0.157 0.000 2.356 421 L HA 0.532 4.872 4.340 -0.000 0.000 0.264 421 L C -0.498 176.428 176.870 0.093 0.000 1.029 421 L CA 0.066 54.986 54.840 0.134 0.000 0.897 421 L CB 0.920 43.047 42.059 0.113 0.000 1.256 421 L HN 0.765 nan 8.230 nan 0.000 0.444 422 S N 1.621 117.382 115.700 0.101 0.000 2.739 422 S HA 0.433 4.903 4.470 -0.000 0.000 0.306 422 S C 0.520 175.125 174.600 0.008 0.000 1.115 422 S CA -0.768 57.473 58.200 0.068 0.000 0.985 422 S CB 1.733 64.996 63.200 0.105 0.000 1.133 422 S HN 0.540 nan 8.310 nan 0.000 0.541 423 D N 1.037 121.427 120.400 -0.016 0.000 2.149 423 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 423 D C 1.203 177.444 176.300 -0.098 0.000 0.990 423 D CA 1.373 55.334 54.000 -0.064 0.000 0.839 423 D CB -0.349 40.421 40.800 -0.050 0.000 0.948 423 D HN 0.575 nan 8.370 nan 0.000 0.460 424 D N 0.343 120.689 120.400 -0.089 0.000 2.117 424 D HA -0.138 4.501 4.640 -0.000 0.000 0.197 424 D C 2.240 178.384 176.300 -0.259 0.000 0.987 424 D CA 0.357 54.225 54.000 -0.220 0.000 0.829 424 D CB -0.263 40.360 40.800 -0.295 0.000 0.961 424 D HN 0.175 nan 8.370 nan 0.000 0.460 425 L N 0.634 121.837 121.223 -0.034 0.000 2.083 425 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 425 L C 1.778 178.627 176.870 -0.036 0.000 1.083 425 L CA 1.354 56.255 54.840 0.101 0.000 0.752 425 L CB -0.333 41.825 42.059 0.166 0.000 0.899 425 L HN -0.049 nan 8.230 nan 0.000 0.433 426 L N -0.369 120.733 121.223 -0.200 0.000 2.509 426 L HA 0.124 4.464 4.340 -0.000 0.000 0.222 426 L C 1.174 177.873 176.870 -0.285 0.000 1.123 426 L CA 0.605 55.171 54.840 -0.456 0.000 0.856 426 L CB -1.345 40.450 42.059 -0.440 0.000 0.985 426 L HN 0.470 nan 8.230 nan 0.000 0.456 427 Q N 1.205 120.911 119.800 -0.156 0.000 2.349 427 Q HA -0.124 4.216 4.340 -0.000 0.000 0.287 427 Q C 1.331 177.321 176.000 -0.016 0.000 1.044 427 Q CA 0.187 55.931 55.803 -0.097 0.000 0.918 427 Q CB 0.840 29.513 28.738 -0.108 0.000 1.242 427 Q HN 0.137 nan 8.270 nan 0.000 0.405 428 K N 2.880 123.281 120.400 0.001 0.000 2.030 428 K HA -0.253 4.067 4.320 -0.000 0.000 0.222 428 K C 1.632 178.289 176.600 0.095 0.000 1.056 428 K CA 2.500 58.822 56.287 0.058 0.000 0.957 428 K CB -0.464 32.057 32.500 0.036 0.000 0.727 428 K HN 0.664 nan 8.250 nan 0.000 0.452 429 S N 0.925 116.660 115.700 0.059 0.000 2.356 429 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 429 S C 1.694 176.362 174.600 0.114 0.000 1.032 429 S CA 1.364 59.607 58.200 0.071 0.000 1.005 429 S CB -0.307 62.918 63.200 0.042 0.000 0.867 429 S HN 0.379 nan 8.310 nan 0.000 0.449 430 N N 0.766 119.527 118.700 0.102 0.000 2.084 430 N HA -0.051 4.688 4.740 -0.000 0.000 0.190 430 N C 1.379 177.072 175.510 0.304 0.000 1.030 430 N CA 0.967 54.119 53.050 0.170 0.000 0.849 430 N CB -0.647 37.853 38.487 0.022 0.000 1.012 430 N HN 0.325 nan 8.380 nan 0.000 0.423 431 F N 2.038 122.028 119.950 0.065 0.000 2.216 431 F HA -0.026 4.501 4.527 0.000 0.000 0.300 431 F C 1.923 177.793 175.800 0.117 0.000 1.085 431 F CA 1.006 59.059 58.000 0.087 0.000 1.326 431 F CB -0.474 38.544 39.000 0.030 0.000 1.027 431 F HN 0.127 nan 8.300 nan 0.000 0.497 432 N N -0.115 118.698 118.700 0.187 0.000 2.223 432 N HA -0.179 4.560 4.740 -0.000 0.000 0.185 432 N C 1.759 177.279 175.510 0.017 0.000 1.016 432 N CA 1.075 54.161 53.050 0.059 0.000 0.863 432 N CB 0.043 38.569 38.487 0.065 0.000 0.983 432 N HN 0.162 nan 8.380 nan 0.000 0.429 433 I N 0.443 121.074 120.570 0.101 0.000 2.233 433 I HA -0.201 3.968 4.170 -0.000 0.000 0.243 433 I C 2.058 178.142 176.117 -0.055 0.000 1.093 433 I CA 0.956 62.315 61.300 0.099 0.000 1.380 433 I CB -1.335 36.833 38.000 0.279 0.000 1.067 433 I HN 0.085 nan 8.210 nan 0.000 0.413 434 F N 2.641 122.471 119.950 -0.200 0.000 2.126 434 F HA -0.239 4.288 4.527 0.000 0.000 0.299 434 F C 2.501 178.037 175.800 -0.441 0.000 1.096 434 F CA 1.804 59.544 58.000 -0.433 0.000 1.255 434 F CB -0.227 38.611 39.000 -0.271 0.000 0.997 434 F HN -0.027 nan 8.300 nan 0.000 0.479 435 K N 0.134 120.308 120.400 -0.376 0.000 2.103 435 K HA -0.225 4.094 4.320 -0.000 0.000 0.207 435 K C 1.968 178.314 176.600 -0.422 0.000 1.048 435 K CA 2.002 58.020 56.287 -0.449 0.000 0.930 435 K CB -0.260 32.030 32.500 -0.350 0.000 0.716 435 K HN 0.305 nan 8.250 nan 0.000 0.444 436 K N 0.118 120.328 120.400 -0.316 0.000 2.155 436 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 436 K C 1.882 178.274 176.600 -0.346 0.000 1.052 436 K CA 0.940 57.067 56.287 -0.267 0.000 0.948 436 K CB -0.196 32.214 32.500 -0.151 0.000 0.728 436 K HN 0.084 nan 8.250 nan 0.000 0.448 437 F N 1.343 120.899 119.950 -0.657 0.000 2.134 437 F HA -0.204 4.323 4.527 -0.001 0.000 0.299 437 F C 1.655 176.993 175.800 -0.771 0.000 1.097 437 F CA 1.129 58.674 58.000 -0.759 0.000 1.264 437 F CB -0.375 37.851 39.000 -1.291 0.000 1.001 437 F HN -0.278 nan 8.300 nan 0.000 0.479 438 V N 0.825 120.065 119.914 -1.124 0.000 2.295 438 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 438 V C 2.454 177.939 176.094 -1.015 0.000 1.049 438 V CA 1.796 63.334 62.300 -1.269 0.000 1.024 438 V CB -0.989 30.208 31.823 -1.042 0.000 0.648 438 V HN 0.501 nan 8.190 nan 0.000 0.447 439 L N 0.148 120.991 121.223 -0.633 0.000 2.042 439 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 439 L C 2.425 179.068 176.870 -0.379 0.000 1.076 439 L CA 2.020 56.617 54.840 -0.406 0.000 0.749 439 L CB -0.684 41.219 42.059 -0.260 0.000 0.893 439 L HN 0.132 nan 8.230 nan 0.000 0.432 440 K N -0.915 119.248 120.400 -0.396 0.000 2.097 440 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 440 K C 2.062 178.441 176.600 -0.369 0.000 1.050 440 K CA 1.258 57.366 56.287 -0.298 0.000 0.938 440 K CB -0.483 31.889 32.500 -0.213 0.000 0.718 440 K HN 0.344 nan 8.250 nan 0.000 0.442 441 M N 0.115 119.352 119.600 -0.604 0.000 2.149 441 M HA -0.147 4.332 4.480 -0.000 0.000 0.261 441 M C 1.601 177.576 176.300 -0.543 0.000 1.064 441 M CA 1.617 56.540 55.300 -0.628 0.000 1.102 441 M CB -1.085 30.944 32.600 -0.952 0.000 1.369 441 M HN 0.305 nan 8.290 nan 0.000 0.408 442 H N -0.228 118.422 119.070 -0.700 0.000 2.556 442 H HA 0.251 4.807 4.556 -0.000 0.000 0.268 442 H C 0.868 175.965 175.328 -0.385 0.000 0.996 442 H CA 0.058 55.613 56.048 -0.823 0.000 1.157 442 H CB 0.108 29.420 29.762 -0.751 0.000 1.355 442 H HN 0.511 nan 8.280 nan 0.000 0.597 443 A N 1.477 124.177 122.820 -0.200 0.000 2.869 443 A HA -0.276 4.043 4.320 -0.000 0.000 0.280 443 A C 0.527 178.059 177.584 -0.087 0.000 1.458 443 A CA 0.811 52.773 52.037 -0.125 0.000 0.776 443 A CB -1.917 17.030 19.000 -0.087 0.000 1.028 443 A HN 0.717 nan 8.150 nan 0.000 0.547 444 D N -2.722 117.617 120.400 -0.102 0.000 3.028 444 D HA -0.153 4.486 4.640 -0.000 0.000 0.207 444 D C 0.273 176.549 176.300 -0.040 0.000 1.100 444 D CA 1.991 55.946 54.000 -0.075 0.000 0.995 444 D CB -0.647 40.115 40.800 -0.063 0.000 1.108 444 D HN 0.867 nan 8.370 nan 0.000 0.421 445 Q N 0.675 120.468 119.800 -0.011 0.000 2.212 445 Q HA 0.345 4.685 4.340 -0.000 0.000 0.238 445 Q C 0.284 176.309 176.000 0.042 0.000 0.955 445 Q CA -0.282 55.530 55.803 0.015 0.000 0.906 445 Q CB 0.814 29.578 28.738 0.044 0.000 1.215 445 Q HN 0.100 nan 8.270 nan 0.000 0.478 446 D N 0.371 120.789 120.400 0.029 0.000 2.360 446 D HA -0.001 4.638 4.640 -0.000 0.000 0.242 446 D C -0.179 176.174 176.300 0.089 0.000 1.184 446 D CA -0.116 53.922 54.000 0.065 0.000 0.930 446 D CB 0.199 41.023 40.800 0.040 0.000 1.161 446 D HN 0.336 nan 8.370 nan 0.000 0.447 447 Y N 0.551 120.862 120.300 0.018 0.000 2.805 447 Y HA -0.006 4.543 4.550 -0.000 0.000 0.337 447 Y C -0.214 175.644 175.900 -0.069 0.000 1.252 447 Y CA -0.429 57.658 58.100 -0.023 0.000 1.515 447 Y CB 0.377 38.850 38.460 0.022 0.000 1.305 447 Y HN 0.272 nan 8.280 nan 0.000 0.600 448 C N 7.931 126.616 119.300 -1.024 0.000 2.356 448 C HA 0.703 5.163 4.460 -0.000 0.000 0.324 448 C C 1.157 175.557 174.990 -0.983 0.000 1.167 448 C CA -0.136 58.343 59.018 -0.898 0.000 1.420 448 C CB -0.953 26.306 27.740 -0.800 0.000 2.036 448 C HN 1.087 nan 8.230 nan 0.000 0.435 449 A N 4.438 126.750 122.820 -0.848 0.000 2.015 449 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 449 A C 1.079 178.522 177.584 -0.236 0.000 1.163 449 A CA 1.258 53.022 52.037 -0.456 0.000 0.646 449 A CB -0.282 18.659 19.000 -0.099 0.000 0.806 449 A HN 0.834 nan 8.150 nan 0.000 0.448 450 N N -0.034 118.504 118.700 -0.270 0.000 2.546 450 N HA 0.266 5.006 4.740 -0.000 0.000 0.238 450 N C -2.183 173.087 175.510 -0.399 0.000 0.984 450 N CA -2.516 50.389 53.050 -0.241 0.000 0.935 450 N CB 1.411 39.785 38.487 -0.188 0.000 1.122 450 N HN -0.036 nan 8.380 nan 0.000 0.510 451 P HA -0.149 nan 4.420 nan 0.000 0.228 451 P C 0.967 177.761 177.300 -0.844 0.000 1.151 451 P CA 0.837 63.324 63.100 -1.022 0.000 0.770 451 P CB 0.451 31.802 31.700 -0.581 0.000 0.786 452 Q N 0.858 120.397 119.800 -0.435 0.000 2.170 452 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 452 Q C 1.923 177.753 176.000 -0.284 0.000 0.976 452 Q CA 1.423 57.059 55.803 -0.279 0.000 0.858 452 Q CB -0.204 28.431 28.738 -0.172 0.000 0.907 452 Q HN 0.211 nan 8.270 nan 0.000 0.433 453 K N -0.045 120.156 120.400 -0.332 0.000 2.147 453 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 453 K C 1.079 177.578 176.600 -0.168 0.000 1.049 453 K CA 1.480 57.631 56.287 -0.225 0.000 0.936 453 K CB -0.103 32.272 32.500 -0.208 0.000 0.722 453 K HN 0.467 nan 8.250 nan 0.000 0.446 454 Y N -0.735 119.423 120.300 -0.237 0.000 2.708 454 Y HA 0.354 4.904 4.550 -0.001 0.000 0.287 454 Y C -0.389 175.496 175.900 -0.025 0.000 1.145 454 Y CA -0.941 57.040 58.100 -0.198 0.000 1.249 454 Y CB -0.938 37.304 38.460 -0.362 0.000 1.152 454 Y HN 0.051 nan 8.280 nan 0.000 0.532 455 N N 1.401 120.061 118.700 -0.068 0.000 2.754 455 N HA -0.260 4.480 4.740 -0.000 0.000 0.248 455 N C -0.614 174.997 175.510 0.168 0.000 1.093 455 N CA 0.605 53.682 53.050 0.046 0.000 0.699 455 N CB -1.101 37.442 38.487 0.093 0.000 1.016 455 N HN 0.783 nan 8.380 nan 0.000 0.552 456 H N -1.159 117.788 119.070 -0.204 0.000 2.587 456 H HA 0.300 4.856 4.556 -0.001 0.000 0.245 456 H C 0.254 175.518 175.328 -0.107 0.000 1.238 456 H CA 0.027 56.016 56.048 -0.098 0.000 0.963 456 H CB 0.501 30.119 29.762 -0.241 0.000 1.904 456 H HN 0.346 nan 8.280 nan 0.000 0.584 457 A N 1.584 124.406 122.820 0.003 0.000 2.477 457 A HA 0.315 4.634 4.320 -0.000 0.000 0.246 457 A C 0.337 177.939 177.584 0.031 0.000 1.078 457 A CA -0.052 51.975 52.037 -0.017 0.000 0.770 457 A CB 0.134 19.111 19.000 -0.038 0.000 1.011 457 A HN 0.420 nan 8.150 nan 0.000 0.494 458 I N 2.370 122.958 120.570 0.030 0.000 2.336 458 I HA 0.283 4.452 4.170 -0.000 0.000 0.292 458 I C 0.281 176.408 176.117 0.015 0.000 0.991 458 I CA -0.219 61.106 61.300 0.042 0.000 1.227 458 I CB 1.680 39.718 38.000 0.064 0.000 1.366 458 I HN 0.606 nan 8.210 nan 0.000 0.466 459 T N 6.212 120.768 114.554 0.005 0.000 2.936 459 T HA 0.378 4.727 4.350 -0.000 0.000 0.282 459 T C -2.526 172.171 174.700 -0.006 0.000 1.003 459 T CA -1.561 60.533 62.100 -0.009 0.000 1.005 459 T CB 1.272 70.123 68.868 -0.028 0.000 1.097 459 T HN 0.291 nan 8.240 nan 0.000 0.532 460 P HA 0.120 nan 4.420 nan 0.000 0.268 460 P C -0.105 177.191 177.300 -0.007 0.000 1.204 460 P CA -0.403 62.700 63.100 0.004 0.000 0.768 460 P CB 0.320 32.022 31.700 0.003 0.000 0.842 461 L N 3.989 125.224 121.223 0.019 0.000 2.540 461 L HA 0.000 4.340 4.340 -0.000 0.000 0.276 461 L C 0.770 177.643 176.870 0.004 0.000 1.212 461 L CA 0.402 55.255 54.840 0.021 0.000 0.893 461 L CB 0.270 42.380 42.059 0.086 0.000 1.138 461 L HN 0.301 nan 8.230 nan 0.000 0.491 462 K N 5.429 125.797 120.400 -0.053 0.000 2.106 462 K HA 0.517 4.836 4.320 -0.000 0.000 0.246 462 K C -2.289 174.347 176.600 0.059 0.000 0.987 462 K CA -2.405 53.856 56.287 -0.044 0.000 0.904 462 K CB 0.150 32.552 32.500 -0.163 0.000 1.071 462 K HN 0.322 nan 8.250 nan 0.000 0.453 463 P HA 0.095 nan 4.420 nan 0.000 0.269 463 P C -0.360 177.055 177.300 0.191 0.000 1.215 463 P CA -0.072 63.096 63.100 0.114 0.000 0.780 463 P CB 0.426 32.170 31.700 0.074 0.000 0.898 464 S N 0.531 116.330 115.700 0.165 0.000 2.579 464 S HA 0.369 4.839 4.470 -0.000 0.000 0.275 464 S C 0.584 175.195 174.600 0.018 0.000 1.345 464 S CA -0.320 57.930 58.200 0.085 0.000 1.031 464 S CB 0.159 63.363 63.200 0.007 0.000 0.892 464 S HN 0.606 nan 8.310 nan 0.000 0.529 465 A N 3.563 126.328 122.820 -0.092 0.000 2.346 465 A HA 0.550 4.870 4.320 -0.000 0.000 0.252 465 A C -2.364 175.149 177.584 -0.118 0.000 1.089 465 A CA -1.360 50.631 52.037 -0.076 0.000 0.797 465 A CB -0.663 18.282 19.000 -0.091 0.000 1.047 465 A HN 0.514 nan 8.150 nan 0.000 0.494 466 P HA 0.075 nan 4.420 nan 0.000 0.269 466 P C -0.428 176.822 177.300 -0.083 0.000 1.215 466 P CA -0.378 62.686 63.100 -0.059 0.000 0.780 466 P CB 0.325 32.006 31.700 -0.031 0.000 0.898 467 K N 1.976 122.339 120.400 -0.061 0.000 2.530 467 K HA 0.040 4.359 4.320 -0.000 0.000 0.280 467 K C 0.129 176.702 176.600 -0.046 0.000 1.004 467 K CA 0.579 56.834 56.287 -0.053 0.000 1.071 467 K CB -0.338 32.149 32.500 -0.020 0.000 0.876 467 K HN 0.421 nan 8.250 nan 0.000 0.487 468 I N 7.001 127.541 120.570 -0.050 0.000 2.315 468 I HA 0.153 4.323 4.170 -0.000 0.000 0.291 468 I C -1.820 174.288 176.117 -0.015 0.000 1.006 468 I CA -2.262 59.017 61.300 -0.034 0.000 1.265 468 I CB 1.297 39.272 38.000 -0.042 0.000 1.387 468 I HN 0.338 nan 8.210 nan 0.000 0.475 469 P HA 0.095 nan 4.420 nan 0.000 0.271 469 P C 0.886 178.189 177.300 0.005 0.000 1.216 469 P CA -0.261 62.841 63.100 0.003 0.000 0.776 469 P CB 1.034 32.738 31.700 0.007 0.000 0.881 470 I N 2.420 122.997 120.570 0.011 0.000 2.229 470 I HA -0.358 3.811 4.170 -0.000 0.000 0.250 470 I C 1.658 177.782 176.117 0.011 0.000 1.096 470 I CA 1.980 63.287 61.300 0.012 0.000 1.358 470 I CB -0.301 37.710 38.000 0.017 0.000 1.047 470 I HN 0.366 nan 8.210 nan 0.000 0.422 471 E N -0.434 119.775 120.200 0.014 0.000 2.085 471 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 471 E C 2.196 178.800 176.600 0.006 0.000 0.994 471 E CA 1.700 58.108 56.400 0.013 0.000 0.801 471 E CB -0.533 29.177 29.700 0.016 0.000 0.743 471 E HN 0.415 nan 8.360 nan 0.000 0.453 472 V N 0.864 120.780 119.914 0.003 0.000 2.453 472 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 472 V C 2.166 178.257 176.094 -0.004 0.000 1.048 472 V CA 1.252 63.552 62.300 -0.001 0.000 1.049 472 V CB -0.439 31.382 31.823 -0.004 0.000 0.672 472 V HN 0.239 nan 8.190 nan 0.000 0.457 473 L N -0.841 120.380 121.223 -0.003 0.000 2.017 473 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 473 L C 2.329 179.195 176.870 -0.008 0.000 1.073 473 L CA 1.091 55.929 54.840 -0.005 0.000 0.745 473 L CB -0.558 41.501 42.059 -0.001 0.000 0.894 473 L HN 0.291 nan 8.230 nan 0.000 0.432 474 L N -0.095 121.125 121.223 -0.006 0.000 2.450 474 L HA -0.156 4.184 4.340 -0.000 0.000 0.224 474 L C 2.349 179.207 176.870 -0.019 0.000 1.149 474 L CA 1.400 56.233 54.840 -0.013 0.000 0.816 474 L CB -0.905 41.151 42.059 -0.004 0.000 0.932 474 L HN 0.287 nan 8.230 nan 0.000 0.449 475 E N -0.664 119.529 120.200 -0.012 0.000 2.204 475 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 475 E C 1.980 178.569 176.600 -0.019 0.000 0.990 475 E CA 0.914 57.306 56.400 -0.013 0.000 0.821 475 E CB -0.086 29.610 29.700 -0.007 0.000 0.750 475 E HN 0.493 nan 8.360 nan 0.000 0.477 476 A N 1.276 124.085 122.820 -0.019 0.000 2.235 476 A HA -0.064 4.256 4.320 -0.000 0.000 0.208 476 A C 2.151 179.715 177.584 -0.034 0.000 1.172 476 A CA 1.114 53.140 52.037 -0.019 0.000 0.786 476 A CB -0.685 18.308 19.000 -0.011 0.000 0.804 476 A HN 0.311 nan 8.150 nan 0.000 0.479 477 T N -2.122 112.402 114.554 -0.051 0.000 3.072 477 T HA -0.000 4.350 4.350 -0.000 0.000 0.266 477 T C 0.892 175.548 174.700 -0.073 0.000 1.127 477 T CA 0.562 62.612 62.100 -0.083 0.000 1.107 477 T CB -0.457 68.342 68.868 -0.116 0.000 0.910 477 T HN 0.454 nan 8.240 nan 0.000 0.513 478 K N 3.401 123.772 120.400 -0.049 0.000 2.430 478 K HA 0.131 4.451 4.320 -0.000 0.000 0.280 478 K C -2.519 174.058 176.600 -0.038 0.000 1.063 478 K CA -1.555 54.708 56.287 -0.040 0.000 1.071 478 K CB 0.225 32.708 32.500 -0.027 0.000 0.899 478 K HN 0.139 nan 8.250 nan 0.000 0.473 479 P HA 0.054 nan 4.420 nan 0.000 0.271 479 P C -1.023 176.260 177.300 -0.029 0.000 1.218 479 P CA -0.251 62.829 63.100 -0.033 0.000 0.780 479 P CB 1.101 32.782 31.700 -0.032 0.000 0.901 480 T N -0.918 113.618 114.554 -0.030 0.000 2.883 480 T HA 0.627 4.977 4.350 -0.000 0.000 0.296 480 T C -0.333 174.337 174.700 -0.051 0.000 1.117 480 T CA -0.991 61.081 62.100 -0.046 0.000 1.006 480 T CB 0.622 69.452 68.868 -0.062 0.000 1.191 480 T HN 0.087 nan 8.240 nan 0.000 0.508 481 L N 2.440 123.621 121.223 -0.071 0.000 2.326 481 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 481 L C -1.701 175.100 176.870 -0.114 0.000 1.092 481 L CA -1.941 52.860 54.840 -0.065 0.000 0.810 481 L CB 0.330 42.359 42.059 -0.050 0.000 1.153 481 L HN 0.560 nan 8.230 nan 0.000 0.439 482 P HA 0.108 nan 4.420 nan 0.000 0.271 482 P C -0.679 176.641 177.300 0.034 0.000 1.233 482 P CA -0.222 62.874 63.100 -0.007 0.000 0.789 482 P CB 0.421 32.133 31.700 0.020 0.000 0.951 483 F N 0.632 120.780 119.950 0.331 0.000 2.406 483 F HA 0.269 4.796 4.527 -0.000 0.000 0.327 483 F C -1.400 174.653 175.800 0.422 0.000 1.153 483 F CA -1.602 56.599 58.000 0.334 0.000 1.218 483 F CB -0.630 38.582 39.000 0.354 0.000 1.215 483 F HN 0.189 nan 8.300 nan 0.000 0.570 484 P HA 0.021 nan 4.420 nan 0.000 0.280 484 P C -0.930 176.685 177.300 0.525 0.000 1.244 484 P CA -0.259 63.089 63.100 0.414 0.000 0.784 484 P CB 0.589 32.440 31.700 0.251 0.000 0.913 485 W N 2.711 124.079 121.300 0.113 0.000 2.627 485 W HA 0.258 4.917 4.660 -0.001 0.000 0.339 485 W C -0.392 176.165 176.519 0.064 0.000 1.058 485 W CA -0.878 56.524 57.345 0.095 0.000 1.223 485 W CB 2.054 31.571 29.460 0.095 0.000 1.389 485 W HN 0.155 nan 8.180 nan 0.000 0.541 486 L N 4.797 126.156 121.223 0.226 0.000 2.473 486 L HA 0.046 4.386 4.340 -0.000 0.000 0.268 486 L C -0.995 175.993 176.870 0.196 0.000 1.215 486 L CA -1.443 53.486 54.840 0.148 0.000 0.823 486 L CB -0.159 41.939 42.059 0.065 0.000 1.099 486 L HN 0.260 nan 8.230 nan 0.000 0.483 487 P HA -0.004 nan 4.420 nan 0.000 0.222 487 P C -0.253 177.112 177.300 0.108 0.000 1.153 487 P CA 0.846 64.016 63.100 0.118 0.000 0.798 487 P CB 0.649 32.396 31.700 0.079 0.000 0.796 488 E N -2.031 118.225 120.200 0.093 0.000 2.390 488 E HA 0.256 4.606 4.350 -0.000 0.000 0.277 488 E C -0.873 175.763 176.600 0.059 0.000 0.939 488 E CA -0.627 55.818 56.400 0.075 0.000 0.769 488 E CB 2.211 31.942 29.700 0.052 0.000 1.251 488 E HN -0.293 nan 8.360 nan 0.000 0.450 489 T N 0.491 115.077 114.554 0.052 0.000 2.918 489 T HA -0.006 4.344 4.350 -0.000 0.000 0.302 489 T C 0.782 175.487 174.700 0.009 0.000 1.045 489 T CA -0.178 61.937 62.100 0.025 0.000 1.114 489 T CB 0.370 69.255 68.868 0.028 0.000 0.965 489 T HN 0.531 nan 8.240 nan 0.000 0.540 490 D N 3.421 123.815 120.400 -0.010 0.000 2.349 490 D HA -0.013 4.627 4.640 -0.000 0.000 0.224 490 D C 0.423 176.709 176.300 -0.022 0.000 1.029 490 D CA 0.389 54.380 54.000 -0.015 0.000 0.879 490 D CB 0.034 40.818 40.800 -0.026 0.000 0.906 490 D HN 0.395 nan 8.370 nan 0.000 0.528 491 M N 1.481 121.067 119.600 -0.023 0.000 2.389 491 M HA 0.196 4.676 4.480 -0.000 0.000 0.206 491 M C -0.688 175.600 176.300 -0.020 0.000 0.976 491 M CA -0.317 54.961 55.300 -0.035 0.000 0.648 491 M CB 1.410 33.972 32.600 -0.063 0.000 1.474 491 M HN -0.160 nan 8.290 nan 0.000 0.398 492 K N 0.056 120.453 120.400 -0.005 0.000 2.107 492 K HA 0.377 4.697 4.320 -0.000 0.000 0.251 492 K C 0.984 177.588 176.600 0.007 0.000 1.012 492 K CA -0.599 55.697 56.287 0.015 0.000 0.920 492 K CB 1.868 34.384 32.500 0.026 0.000 1.033 492 K HN 0.077 nan 8.250 nan 0.000 0.478 493 V N 1.001 120.935 119.914 0.034 0.000 2.548 493 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 493 V C -0.163 175.943 176.094 0.021 0.000 1.055 493 V CA 1.580 63.897 62.300 0.027 0.000 1.065 493 V CB -0.607 31.264 31.823 0.082 0.000 0.681 493 V HN 0.760 nan 8.190 nan 0.000 0.462 494 D N 0.201 120.618 120.400 0.029 0.000 2.347 494 D HA 0.546 5.186 4.640 -0.000 0.000 0.235 494 D C 0.235 176.540 176.300 0.008 0.000 1.149 494 D CA 0.479 54.491 54.000 0.020 0.000 0.850 494 D CB 1.185 42.001 40.800 0.026 0.000 1.061 494 D HN 0.323 nan 8.370 nan 0.000 0.487 495 G N 0.000 108.800 108.800 0.001 0.000 5.446 495 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 495 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 495 G CA 0.000 nan 45.100 nan 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925