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 1od5_1_B DATA FIRST_RESID 7 DATA SEQUENCE NEcQLNNLNA LEPDHRVESE GGLIETWNSQ HPELQcAGVT VSKRTLNRNG DATA SEQUENCE LHLPSYSPYP QMIIVVQGKG AIGFAFPGcP ETFEKPXXXX XXXXXXXXXX DATA SEQUENCE XQDSHQKIRH FNEGDVLVIP PGVPYWTYNT GDEPVVAISL LDTSNFNNQL DATA SEQUENCE DQNPRVFYLA GNPDIEHPET MQXXXXXXXX XXXXXXXXXX XXXEGGSVLS DATA SEQUENCE GFSKHFLAQS FNTNEDTAEK LRSPDDERKQ IVTVEGGLSV ISPKWXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXGVEENI cTMKLHENIA RPSRADFYNP KAGRISTLNS DATA SEQUENCE LTLPALRQFG LSAQYVVLYR NGIYSPHWNL NANSVIYVTR GKGRVRVVNC DATA SEQUENCE QGNAVFDGEL RRGQLLVVPQ NFVVAEQGGE QGLEYVVFKT HHNAVSSYIK DATA SEQUENCE DVFRAIPSEV LSNSYNLGQS QVRQLKYQGN SGPLVNP 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.528 175.510 0.030 0.000 1.280 7 N CA 0.000 53.066 53.050 0.027 0.000 0.885 7 N CB 0.000 38.500 38.487 0.022 0.000 1.341 8 E N 0.679 120.894 120.200 0.024 0.000 2.171 8 E HA 0.021 4.371 4.350 -0.000 0.000 0.197 8 E C 0.466 177.077 176.600 0.020 0.000 0.997 8 E CA 1.823 58.235 56.400 0.019 0.000 0.810 8 E CB -0.183 29.523 29.700 0.010 0.000 0.738 8 E HN 0.569 nan 8.360 nan 0.000 0.467 9 c N 0.293 118.911 118.600 0.030 0.000 2.884 9 c HA 0.201 4.771 4.570 -0.000 0.000 0.287 9 c C 0.275 174.427 174.090 0.104 0.000 1.310 9 c CA -0.475 55.874 56.329 0.034 0.000 1.725 9 c CB -0.716 41.802 42.510 0.014 0.000 2.060 9 c HN 0.287 nan 8.230 nan 0.000 0.618 10 Q N 1.387 121.241 119.800 0.089 0.000 3.027 10 Q HA 0.319 4.659 4.340 -0.000 0.000 0.260 10 Q C -0.701 175.358 176.000 0.099 0.000 1.379 10 Q CA 0.393 56.257 55.803 0.103 0.000 1.038 10 Q CB 0.147 28.923 28.738 0.064 0.000 1.578 10 Q HN 0.631 nan 8.270 nan 0.000 0.571 11 L N 1.043 122.351 121.223 0.141 0.000 2.264 11 L HA 0.228 4.568 4.340 -0.000 0.000 0.289 11 L C 1.337 178.288 176.870 0.134 0.000 1.044 11 L CA -0.289 54.623 54.840 0.120 0.000 0.807 11 L CB 0.915 43.036 42.059 0.103 0.000 1.192 11 L HN 0.512 nan 8.230 nan 0.000 0.425 12 N N 2.222 120.976 118.700 0.090 0.000 2.416 12 N HA -0.057 4.683 4.740 -0.000 0.000 0.177 12 N C 0.031 175.588 175.510 0.079 0.000 1.036 12 N CA 0.316 53.409 53.050 0.073 0.000 0.901 12 N CB 0.474 38.989 38.487 0.047 0.000 0.976 12 N HN 0.744 nan 8.380 nan 0.000 0.444 13 N N -0.656 118.100 118.700 0.094 0.000 2.484 13 N HA 0.356 5.096 4.740 -0.000 0.000 0.269 13 N C -2.246 173.340 175.510 0.127 0.000 1.237 13 N CA -0.620 52.492 53.050 0.104 0.000 0.838 13 N CB 1.339 39.870 38.487 0.074 0.000 1.593 13 N HN -0.188 nan 8.380 nan 0.000 0.485 14 L N 1.718 123.045 121.223 0.173 0.000 2.381 14 L HA 0.592 4.932 4.340 -0.000 0.000 0.268 14 L C -0.921 176.108 176.870 0.266 0.000 0.997 14 L CA -0.484 54.462 54.840 0.177 0.000 0.818 14 L CB 1.904 44.062 42.059 0.166 0.000 1.310 14 L HN 0.716 nan 8.230 nan 0.000 0.416 15 N N 0.831 119.641 118.700 0.183 0.000 2.272 15 N HA 0.754 5.494 4.740 -0.000 0.000 0.305 15 N C -0.943 174.645 175.510 0.131 0.000 1.103 15 N CA -0.710 52.468 53.050 0.213 0.000 0.791 15 N CB 1.845 40.421 38.487 0.148 0.000 1.356 15 N HN 0.679 nan 8.380 nan 0.000 0.486 16 A N 2.036 124.983 122.820 0.213 0.000 2.437 16 A HA 0.368 4.688 4.320 -0.000 0.000 0.303 16 A C -0.373 177.273 177.584 0.103 0.000 1.324 16 A CA -0.313 51.783 52.037 0.098 0.000 0.983 16 A CB -0.725 18.400 19.000 0.209 0.000 1.142 16 A HN 0.589 nan 8.150 nan 0.000 0.541 17 L N 2.401 123.684 121.223 0.101 0.000 2.334 17 L HA 0.515 4.854 4.340 -0.000 0.000 0.277 17 L C 0.458 177.557 176.870 0.381 0.000 1.075 17 L CA -0.295 54.643 54.840 0.164 0.000 0.804 17 L CB 1.076 43.190 42.059 0.092 0.000 1.174 17 L HN 0.687 nan 8.230 nan 0.000 0.438 18 E N 1.961 122.237 120.200 0.127 0.000 2.339 18 E HA 0.454 4.804 4.350 -0.000 0.000 0.262 18 E C -2.535 173.627 176.600 -0.729 0.000 0.934 18 E CA -2.148 54.202 56.400 -0.085 0.000 0.802 18 E CB 1.640 31.305 29.700 -0.058 0.000 1.275 18 E HN 0.326 nan 8.360 nan 0.000 0.427 19 P HA 0.006 nan 4.420 nan 0.000 0.268 19 P C -0.441 176.587 177.300 -0.453 0.000 1.204 19 P CA 0.317 62.750 63.100 -1.111 0.000 0.768 19 P CB 0.679 31.847 31.700 -0.886 0.000 0.842 20 D N 0.271 120.513 120.400 -0.264 0.000 2.214 20 D HA -0.048 4.592 4.640 -0.000 0.000 0.217 20 D C 0.396 176.701 176.300 0.009 0.000 0.973 20 D CA 1.319 55.290 54.000 -0.048 0.000 0.880 20 D CB -0.106 40.740 40.800 0.075 0.000 1.031 20 D HN 0.502 nan 8.370 nan 0.000 0.468 21 H N 0.217 119.236 119.070 -0.084 0.000 2.525 21 H HA 0.488 5.044 4.556 -0.000 0.000 0.340 21 H C -0.679 174.596 175.328 -0.088 0.000 1.168 21 H CA -0.520 55.486 56.048 -0.070 0.000 1.247 21 H CB 1.171 30.906 29.762 -0.045 0.000 1.568 21 H HN -0.199 nan 8.280 nan 0.000 0.536 22 R N 3.202 123.270 120.500 -0.720 0.000 2.564 22 R HA 0.513 4.853 4.340 -0.000 0.000 0.284 22 R C -2.165 173.778 176.300 -0.595 0.000 1.031 22 R CA -0.761 55.035 56.100 -0.506 0.000 0.904 22 R CB 1.330 31.465 30.300 -0.274 0.000 1.199 22 R HN 0.441 nan 8.270 nan 0.000 0.443 23 V N 4.104 123.807 119.914 -0.353 0.000 2.350 23 V HA 0.311 4.431 4.120 -0.000 0.000 0.285 23 V C -0.337 175.671 176.094 -0.144 0.000 1.014 23 V CA -0.661 61.509 62.300 -0.217 0.000 0.831 23 V CB 1.434 33.176 31.823 -0.135 0.000 1.000 23 V HN 0.791 nan 8.190 nan 0.000 0.433 24 E N 2.205 122.335 120.200 -0.116 0.000 2.249 24 E HA 0.591 4.941 4.350 -0.000 0.000 0.280 24 E C -0.386 176.169 176.600 -0.076 0.000 1.016 24 E CA -0.107 56.242 56.400 -0.085 0.000 0.830 24 E CB 1.991 31.650 29.700 -0.070 0.000 1.081 24 E HN 0.610 nan 8.360 nan 0.000 0.395 25 S N 0.913 116.572 115.700 -0.068 0.000 2.709 25 S HA 0.093 4.563 4.470 -0.000 0.000 0.302 25 S C 0.815 175.389 174.600 -0.044 0.000 1.127 25 S CA -0.644 57.517 58.200 -0.064 0.000 0.905 25 S CB 1.642 64.794 63.200 -0.081 0.000 1.151 25 S HN 0.709 nan 8.310 nan 0.000 0.510 26 E N 1.083 121.261 120.200 -0.036 0.000 2.023 26 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 26 E C 1.402 177.996 176.600 -0.010 0.000 1.003 26 E CA 1.620 58.009 56.400 -0.020 0.000 0.809 26 E CB -0.673 29.019 29.700 -0.013 0.000 0.755 26 E HN 0.749 nan 8.360 nan 0.000 0.449 27 G N -0.704 108.093 108.800 -0.005 0.000 3.141 27 G HA2 0.391 4.351 3.960 -0.000 0.000 0.218 27 G HA3 0.391 4.351 3.960 -0.000 0.000 0.218 27 G C 0.243 175.143 174.900 -0.001 0.000 1.170 27 G CA 0.355 45.460 45.100 0.009 0.000 0.769 27 G HN 0.534 nan 8.290 nan 0.000 0.546 28 G N -0.930 107.858 108.800 -0.020 0.000 2.348 28 G HA2 0.480 4.440 3.960 -0.000 0.000 0.296 28 G HA3 0.480 4.440 3.960 -0.000 0.000 0.296 28 G C -2.299 172.575 174.900 -0.044 0.000 1.258 28 G CA -0.418 44.667 45.100 -0.024 0.000 0.868 28 G HN 0.778 nan 8.290 nan 0.000 0.488 29 L N -0.233 120.963 121.223 -0.045 0.000 2.493 29 L HA 0.835 5.175 4.340 -0.000 0.000 0.265 29 L C -1.436 175.399 176.870 -0.058 0.000 0.954 29 L CA -0.630 54.175 54.840 -0.058 0.000 0.844 29 L CB 1.812 43.845 42.059 -0.043 0.000 1.302 29 L HN 0.563 nan 8.230 nan 0.000 0.405 30 I N 3.723 124.246 120.570 -0.078 0.000 2.378 30 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 30 I C -0.630 175.444 176.117 -0.071 0.000 0.992 30 I CA -0.424 60.843 61.300 -0.055 0.000 1.154 30 I CB 1.869 39.834 38.000 -0.059 0.000 1.315 30 I HN 0.622 nan 8.210 nan 0.000 0.448 31 E N 4.529 124.711 120.200 -0.030 0.000 2.191 31 E HA 0.428 4.777 4.350 -0.000 0.000 0.263 31 E C -0.851 175.755 176.600 0.011 0.000 0.881 31 E CA -0.720 55.637 56.400 -0.072 0.000 0.757 31 E CB 2.133 31.769 29.700 -0.107 0.000 1.147 31 E HN 0.630 nan 8.360 nan 0.000 0.414 32 T N -0.881 113.696 114.554 0.038 0.000 2.912 32 T HA 0.422 4.772 4.350 -0.000 0.000 0.288 32 T C -0.351 174.469 174.700 0.201 0.000 1.030 32 T CA -0.887 61.340 62.100 0.210 0.000 1.020 32 T CB 1.118 70.103 68.868 0.194 0.000 1.056 32 T HN 0.361 nan 8.240 nan 0.000 0.480 33 W N 1.465 122.842 121.300 0.129 0.000 2.381 33 W HA 0.333 4.992 4.660 -0.000 0.000 0.329 33 W C 0.571 177.203 176.519 0.188 0.000 1.157 33 W CA -0.566 56.858 57.345 0.132 0.000 1.240 33 W CB 1.159 30.660 29.460 0.067 0.000 1.199 33 W HN 0.772 nan 8.180 nan 0.000 0.579 34 N N 0.326 119.303 118.700 0.461 0.000 2.470 34 N HA -0.038 4.702 4.740 -0.000 0.000 0.268 34 N C 1.180 176.880 175.510 0.317 0.000 1.136 34 N CA 0.040 53.275 53.050 0.307 0.000 0.961 34 N CB 0.942 39.507 38.487 0.129 0.000 1.067 34 N HN 0.294 nan 8.380 nan 0.000 0.468 35 S N 2.406 118.210 115.700 0.173 0.000 2.515 35 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 35 S C 1.116 175.759 174.600 0.071 0.000 0.987 35 S CA 0.678 58.938 58.200 0.100 0.000 0.936 35 S CB 0.006 63.212 63.200 0.011 0.000 0.766 35 S HN 0.710 nan 8.310 nan 0.000 0.528 36 Q N 0.136 119.962 119.800 0.044 0.000 2.403 36 Q HA 0.131 4.470 4.340 -0.000 0.000 0.203 36 Q C -0.462 175.537 176.000 -0.002 0.000 0.932 36 Q CA -0.011 55.791 55.803 -0.002 0.000 0.945 36 Q CB -0.044 28.669 28.738 -0.041 0.000 1.045 36 Q HN 0.711 nan 8.270 nan 0.000 0.511 37 H N 1.733 120.832 119.070 0.048 0.000 3.034 37 H HA -0.050 4.506 4.556 -0.000 0.000 0.324 37 H C -1.263 174.084 175.328 0.032 0.000 1.015 37 H CA -0.727 55.353 56.048 0.054 0.000 1.429 37 H CB 0.614 30.428 29.762 0.087 0.000 1.429 37 H HN 0.051 nan 8.280 nan 0.000 0.585 38 P HA -0.193 nan 4.420 nan 0.000 0.218 38 P C 0.665 178.000 177.300 0.058 0.000 1.148 38 P CA 1.289 64.435 63.100 0.075 0.000 0.822 38 P CB 0.466 32.204 31.700 0.064 0.000 0.784 39 E N -0.125 120.116 120.200 0.069 0.000 2.051 39 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 39 E C 2.058 178.650 176.600 -0.014 0.000 0.991 39 E CA 0.937 57.343 56.400 0.009 0.000 0.799 39 E CB -1.095 28.604 29.700 -0.003 0.000 0.748 39 E HN 0.111 nan 8.360 nan 0.000 0.449 40 L N 0.812 122.048 121.223 0.021 0.000 2.201 40 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 40 L C 2.117 178.980 176.870 -0.012 0.000 1.105 40 L CA 1.602 56.440 54.840 -0.005 0.000 0.775 40 L CB -0.462 41.621 42.059 0.040 0.000 0.913 40 L HN 0.142 nan 8.230 nan 0.000 0.440 41 Q N -2.228 117.577 119.800 0.008 0.000 2.172 41 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 41 Q C 2.526 178.516 176.000 -0.018 0.000 0.964 41 Q CA 1.473 57.273 55.803 -0.006 0.000 0.855 41 Q CB -0.266 28.476 28.738 0.007 0.000 0.918 41 Q HN 0.657 nan 8.270 nan 0.000 0.444 42 c N 0.022 118.608 118.600 -0.024 0.000 2.446 42 c HA -0.003 4.567 4.570 -0.000 0.000 0.277 42 c C 2.662 176.721 174.090 -0.051 0.000 1.275 42 c CA 1.150 57.455 56.329 -0.039 0.000 1.727 42 c CB -0.832 41.640 42.510 -0.064 0.000 2.010 42 c HN 0.555 nan 8.230 nan 0.000 0.486 43 A N -0.726 122.057 122.820 -0.062 0.000 2.067 43 A HA 0.362 4.682 4.320 -0.000 0.000 0.217 43 A C 1.946 179.498 177.584 -0.052 0.000 1.156 43 A CA 1.580 53.579 52.037 -0.063 0.000 0.683 43 A CB -1.127 17.827 19.000 -0.077 0.000 0.808 43 A HN 1.775 nan 8.150 nan 0.000 0.455 44 G N -1.161 107.606 108.800 -0.054 0.000 2.198 44 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.257 44 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.257 44 G C 0.196 175.033 174.900 -0.104 0.000 1.042 44 G CA 0.868 45.930 45.100 -0.062 0.000 0.791 44 G HN 1.924 nan 8.290 nan 0.000 0.502 45 V N -4.619 115.224 119.914 -0.118 0.000 3.206 45 V HA 0.996 5.116 4.120 -0.000 0.000 0.305 45 V C -0.278 175.722 176.094 -0.157 0.000 1.257 45 V CA 0.025 62.222 62.300 -0.172 0.000 1.057 45 V CB 1.854 33.570 31.823 -0.177 0.000 1.075 45 V HN 1.100 nan 8.190 nan 0.000 0.443 46 T N -0.118 114.322 114.554 -0.190 0.000 2.864 46 T HA 0.788 5.138 4.350 -0.000 0.000 0.299 46 T C -1.392 173.216 174.700 -0.154 0.000 1.166 46 T CA -0.225 61.806 62.100 -0.114 0.000 1.007 46 T CB 1.872 70.713 68.868 -0.046 0.000 1.219 46 T HN 1.047 nan 8.240 nan 0.000 0.506 47 V N 1.670 121.523 119.914 -0.102 0.000 3.019 47 V HA 0.892 5.012 4.120 -0.000 0.000 0.317 47 V C -0.240 175.962 176.094 0.180 0.000 1.094 47 V CA -0.755 61.433 62.300 -0.187 0.000 1.000 47 V CB 2.047 33.449 31.823 -0.702 0.000 1.060 47 V HN 0.886 nan 8.190 nan 0.000 0.443 48 S N 1.676 117.467 115.700 0.152 0.000 2.546 48 S HA 0.533 5.003 4.470 -0.000 0.000 0.272 48 S C -1.191 173.548 174.600 0.232 0.000 1.140 48 S CA -0.724 57.650 58.200 0.289 0.000 0.920 48 S CB 1.340 64.688 63.200 0.246 0.000 1.083 48 S HN 0.773 nan 8.310 nan 0.000 0.476 49 K N 3.661 124.229 120.400 0.281 0.000 2.307 49 K HA 0.540 4.860 4.320 -0.000 0.000 0.263 49 K C -0.926 175.737 176.600 0.106 0.000 0.973 49 K CA -0.600 55.801 56.287 0.190 0.000 0.846 49 K CB 0.738 33.392 32.500 0.257 0.000 1.100 49 K HN 0.603 nan 8.250 nan 0.000 0.438 50 R N 1.859 122.406 120.500 0.079 0.000 2.562 50 R HA 0.381 4.721 4.340 -0.000 0.000 0.298 50 R C -0.976 175.355 176.300 0.053 0.000 0.961 50 R CA -0.639 55.493 56.100 0.053 0.000 0.881 50 R CB 2.282 32.624 30.300 0.072 0.000 1.159 50 R HN 0.446 nan 8.270 nan 0.000 0.450 51 T N 3.301 117.873 114.554 0.030 0.000 2.848 51 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 51 T C -1.164 173.553 174.700 0.030 0.000 0.995 51 T CA -0.618 61.506 62.100 0.041 0.000 0.970 51 T CB 1.120 70.007 68.868 0.032 0.000 0.976 51 T HN 0.031 nan 8.240 nan 0.000 0.441 52 L N 3.867 125.122 121.223 0.053 0.000 2.333 52 L HA 0.478 4.818 4.340 -0.000 0.000 0.280 52 L C 0.378 177.265 176.870 0.028 0.000 1.004 52 L CA -0.433 54.435 54.840 0.047 0.000 0.820 52 L CB 1.316 43.427 42.059 0.086 0.000 1.247 52 L HN 0.598 nan 8.230 nan 0.000 0.416 53 N N 2.065 120.773 118.700 0.012 0.000 2.364 53 N HA 0.391 5.131 4.740 -0.000 0.000 0.264 53 N C -0.297 175.201 175.510 -0.019 0.000 1.263 53 N CA -0.922 52.130 53.050 0.003 0.000 0.959 53 N CB 0.518 39.008 38.487 0.004 0.000 1.204 53 N HN 0.391 nan 8.380 nan 0.000 0.550 54 R N 1.491 121.979 120.500 -0.021 0.000 2.502 54 R HA -0.070 4.270 4.340 -0.000 0.000 0.292 54 R C -0.613 175.663 176.300 -0.041 0.000 0.998 54 R CA 0.379 56.453 56.100 -0.043 0.000 1.056 54 R CB -1.192 29.097 30.300 -0.018 0.000 0.939 54 R HN 0.836 nan 8.270 nan 0.000 0.411 55 N N -0.249 118.381 118.700 -0.117 0.000 2.782 55 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 55 N C -0.018 175.521 175.510 0.048 0.000 1.101 55 N CA 0.722 53.742 53.050 -0.050 0.000 0.764 55 N CB -0.808 37.743 38.487 0.108 0.000 1.122 55 N HN 0.908 nan 8.380 nan 0.000 0.561 56 G N 0.629 109.411 108.800 -0.030 0.000 2.380 56 G HA2 0.451 4.411 3.960 -0.000 0.000 0.262 56 G HA3 0.451 4.411 3.960 -0.000 0.000 0.262 56 G C -0.302 174.706 174.900 0.180 0.000 1.243 56 G CA -0.251 44.889 45.100 0.066 0.000 0.865 56 G HN 0.165 nan 8.290 nan 0.000 0.513 57 L N 3.285 124.650 121.223 0.236 0.000 2.342 57 L HA 0.324 4.664 4.340 -0.000 0.000 0.276 57 L C -0.292 176.738 176.870 0.266 0.000 0.997 57 L CA -0.806 54.223 54.840 0.315 0.000 0.838 57 L CB 1.304 43.510 42.059 0.246 0.000 1.224 57 L HN 0.743 nan 8.230 nan 0.000 0.416 58 H N 5.731 124.910 119.070 0.182 0.000 2.864 58 H HA 0.283 4.839 4.556 -0.000 0.000 0.281 58 H C -0.302 175.102 175.328 0.126 0.000 1.093 58 H CA -0.853 55.274 56.048 0.130 0.000 1.453 58 H CB 0.717 30.546 29.762 0.112 0.000 1.462 58 H HN 0.547 nan 8.280 nan 0.000 0.480 59 L N 7.179 128.613 121.223 0.351 0.000 2.499 59 L HA 0.083 4.423 4.340 -0.000 0.000 0.281 59 L C -1.749 175.189 176.870 0.114 0.000 1.234 59 L CA -1.886 53.080 54.840 0.210 0.000 0.839 59 L CB 0.048 42.226 42.059 0.200 0.000 1.104 59 L HN 0.633 nan 8.230 nan 0.000 0.500 60 P HA 0.042 nan 4.420 nan 0.000 0.267 60 P C -0.817 176.407 177.300 -0.128 0.000 1.209 60 P CA 0.020 63.087 63.100 -0.054 0.000 0.763 60 P CB 0.956 32.686 31.700 0.049 0.000 0.816 61 S N 2.854 118.324 115.700 -0.383 0.000 2.638 61 S HA 0.837 5.307 4.470 -0.000 0.000 0.274 61 S C -1.228 173.285 174.600 -0.144 0.000 1.157 61 S CA -0.726 57.215 58.200 -0.431 0.000 0.826 61 S CB 1.651 64.254 63.200 -0.995 0.000 1.139 61 S HN 0.550 nan 8.310 nan 0.000 0.474 62 Y N -1.680 118.503 120.300 -0.195 0.000 2.625 62 Y HA 0.891 5.441 4.550 -0.000 0.000 0.338 62 Y C -1.002 174.829 175.900 -0.114 0.000 1.123 62 Y CA -0.949 57.078 58.100 -0.122 0.000 1.046 62 Y CB 1.168 39.533 38.460 -0.159 0.000 1.299 62 Y HN 0.775 nan 8.280 nan 0.000 0.464 63 S N 1.278 116.925 115.700 -0.088 0.000 2.564 63 S HA 0.443 4.913 4.470 -0.000 0.000 0.274 63 S C -2.757 171.595 174.600 -0.412 0.000 1.124 63 S CA -1.346 56.657 58.200 -0.328 0.000 0.869 63 S CB 2.497 65.279 63.200 -0.697 0.000 1.105 63 S HN 0.672 nan 8.310 nan 0.000 0.472 64 P HA 0.148 nan 4.420 nan 0.000 0.255 64 P C -1.041 176.156 177.300 -0.173 0.000 1.357 64 P CA 0.273 63.243 63.100 -0.216 0.000 0.839 64 P CB -0.585 31.095 31.700 -0.034 0.000 1.356 65 Y N -2.442 117.801 120.300 -0.095 0.000 2.588 65 Y HA 0.766 5.316 4.550 -0.000 0.000 0.343 65 Y C -2.951 172.818 175.900 -0.219 0.000 1.065 65 Y CA -3.630 54.378 58.100 -0.153 0.000 1.038 65 Y CB 0.148 38.534 38.460 -0.122 0.000 1.297 65 Y HN -0.321 nan 8.280 nan 0.000 0.467 66 P HA 0.221 nan 4.420 nan 0.000 0.277 66 P C -1.511 175.739 177.300 -0.083 0.000 1.240 66 P CA -0.247 62.690 63.100 -0.272 0.000 0.798 66 P CB 1.636 33.077 31.700 -0.431 0.000 0.979 67 Q N 1.093 120.800 119.800 -0.154 0.000 2.356 67 Q HA 0.625 4.965 4.340 -0.000 0.000 0.270 67 Q C -0.617 175.308 176.000 -0.124 0.000 1.058 67 Q CA -0.671 55.067 55.803 -0.109 0.000 0.802 67 Q CB 2.804 31.473 28.738 -0.116 0.000 1.303 67 Q HN 0.443 nan 8.270 nan 0.000 0.444 68 M N 3.851 123.379 119.600 -0.120 0.000 2.125 68 M HA 0.492 4.972 4.480 -0.000 0.000 0.321 68 M C -1.766 174.509 176.300 -0.043 0.000 0.983 68 M CA -0.458 54.829 55.300 -0.022 0.000 0.934 68 M CB 0.789 33.443 32.600 0.090 0.000 1.542 68 M HN 0.617 nan 8.290 nan 0.000 0.424 69 I N 6.007 126.578 120.570 0.001 0.000 2.378 69 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 69 I C -0.734 175.427 176.117 0.073 0.000 0.992 69 I CA -0.687 60.611 61.300 -0.003 0.000 1.154 69 I CB 1.816 39.748 38.000 -0.113 0.000 1.315 69 I HN 0.701 nan 8.210 nan 0.000 0.448 70 I N 6.921 127.575 120.570 0.141 0.000 2.378 70 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 70 I C -0.611 175.537 176.117 0.051 0.000 0.992 70 I CA -0.727 60.639 61.300 0.109 0.000 1.154 70 I CB 1.526 39.617 38.000 0.152 0.000 1.315 70 I HN 0.221 nan 8.210 nan 0.000 0.448 71 V N 8.107 128.033 119.914 0.021 0.000 2.408 71 V HA 0.052 4.172 4.120 -0.000 0.000 0.267 71 V C 0.956 177.109 176.094 0.098 0.000 1.047 71 V CA -0.135 62.188 62.300 0.039 0.000 0.937 71 V CB 1.103 32.951 31.823 0.042 0.000 0.999 71 V HN 0.723 nan 8.190 nan 0.000 0.472 72 V N 1.770 121.757 119.914 0.122 0.000 3.660 72 V HA 0.369 4.489 4.120 -0.000 0.000 0.276 72 V C 0.302 176.480 176.094 0.140 0.000 1.317 72 V CA 0.484 62.874 62.300 0.150 0.000 1.097 72 V CB -0.167 31.781 31.823 0.208 0.000 0.863 72 V HN 0.860 nan 8.190 nan 0.000 0.438 73 Q N -0.331 119.551 119.800 0.138 0.000 2.438 73 Q HA 0.526 4.866 4.340 -0.000 0.000 0.272 73 Q C -0.141 175.944 176.000 0.143 0.000 0.994 73 Q CA 0.198 56.078 55.803 0.128 0.000 0.887 73 Q CB 1.936 30.743 28.738 0.116 0.000 1.432 73 Q HN 0.985 nan 8.270 nan 0.000 0.392 74 G N 2.381 111.254 108.800 0.122 0.000 2.681 74 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 74 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 74 G C -1.345 173.636 174.900 0.134 0.000 1.353 74 G CA 0.030 45.198 45.100 0.115 0.000 0.872 74 G HN 0.871 nan 8.290 nan 0.000 0.557 75 K N -0.890 119.548 120.400 0.063 0.000 2.568 75 K HA 0.801 5.121 4.320 -0.000 0.000 0.273 75 K C -0.050 176.350 176.600 -0.332 0.000 0.951 75 K CA -0.307 55.930 56.287 -0.083 0.000 0.854 75 K CB 1.775 34.258 32.500 -0.028 0.000 1.424 75 K HN 2.340 nan 8.250 nan 0.000 0.427 76 G N 0.053 108.251 108.800 -1.003 0.000 2.561 76 G HA2 0.658 4.618 3.960 -0.000 0.000 0.310 76 G HA3 0.658 4.618 3.960 -0.000 0.000 0.310 76 G C -1.865 172.365 174.900 -1.118 0.000 1.292 76 G CA -0.462 44.121 45.100 -0.862 0.000 0.811 76 G HN 0.789 nan 8.290 nan 0.000 0.482 77 A N -0.701 121.793 122.820 -0.542 0.000 2.380 77 A HA 0.859 5.179 4.320 -0.000 0.000 0.315 77 A C -1.096 176.344 177.584 -0.240 0.000 1.101 77 A CA -0.683 51.078 52.037 -0.461 0.000 0.771 77 A CB 1.526 20.279 19.000 -0.411 0.000 1.287 77 A HN 1.433 nan 8.150 nan 0.000 0.436 78 I N 1.041 121.370 120.570 -0.402 0.000 2.582 78 I HA 0.715 4.885 4.170 -0.000 0.000 0.292 78 I C -0.063 175.437 176.117 -1.028 0.000 1.066 78 I CA -0.448 60.448 61.300 -0.673 0.000 1.053 78 I CB 2.023 39.803 38.000 -0.366 0.000 1.241 78 I HN 0.761 nan 8.210 nan 0.000 0.421 79 G N 6.206 113.976 108.800 -1.717 0.000 2.513 79 G HA2 0.666 4.626 3.960 -0.000 0.000 0.317 79 G HA3 0.666 4.626 3.960 -0.000 0.000 0.317 79 G C -1.649 172.724 174.900 -0.879 0.000 1.277 79 G CA -0.356 44.039 45.100 -1.175 0.000 0.955 79 G HN 0.425 nan 8.290 nan 0.000 0.484 80 F N 0.510 120.347 119.950 -0.189 0.000 2.556 80 F HA 0.704 5.231 4.527 -0.000 0.000 0.327 80 F C 0.509 176.291 175.800 -0.029 0.000 1.059 80 F CA -0.911 57.017 58.000 -0.120 0.000 0.953 80 F CB 2.777 41.714 39.000 -0.106 0.000 1.227 80 F HN 0.575 nan 8.300 nan 0.000 0.478 81 A N 2.422 125.284 122.820 0.069 0.000 2.431 81 A HA 0.637 4.957 4.320 -0.000 0.000 0.318 81 A C -1.365 176.172 177.584 -0.078 0.000 1.330 81 A CA -0.403 51.675 52.037 0.068 0.000 0.804 81 A CB -0.510 18.515 19.000 0.041 0.000 1.135 81 A HN 0.538 nan 8.150 nan 0.000 0.483 82 F N 3.668 123.642 119.950 0.039 0.000 2.456 82 F HA 0.365 4.892 4.527 -0.000 0.000 0.358 82 F C -1.515 174.274 175.800 -0.019 0.000 1.095 82 F CA -1.724 56.273 58.000 -0.006 0.000 1.216 82 F CB 0.982 39.968 39.000 -0.023 0.000 1.125 82 F HN 0.385 nan 8.300 nan 0.000 0.549 83 P HA 0.133 nan 4.420 nan 0.000 0.271 83 P C 0.589 177.924 177.300 0.059 0.000 1.233 83 P CA 0.307 63.427 63.100 0.033 0.000 0.764 83 P CB 0.854 32.541 31.700 -0.022 0.000 0.825 84 G N 2.401 111.224 108.800 0.039 0.000 2.175 84 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.265 84 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.265 84 G C 0.287 175.211 174.900 0.040 0.000 0.979 84 G CA -0.008 45.111 45.100 0.032 0.000 0.663 84 G HN 0.645 nan 8.290 nan 0.000 0.533 85 c N 1.290 119.928 118.600 0.065 0.000 2.539 85 c HA 0.564 5.134 4.570 -0.000 0.000 0.392 85 c C -0.914 173.203 174.090 0.044 0.000 1.269 85 c CA -1.137 55.221 56.329 0.049 0.000 2.250 85 c CB 0.948 43.495 42.510 0.062 0.000 2.584 85 c HN 0.435 nan 8.230 nan 0.000 0.589 86 P HA 0.215 nan 4.420 nan 0.000 0.272 86 P C -0.884 176.443 177.300 0.045 0.000 1.240 86 P CA -0.088 63.030 63.100 0.031 0.000 0.791 86 P CB 0.432 32.145 31.700 0.022 0.000 0.978 87 E N 0.050 120.279 120.200 0.049 0.000 2.001 87 E HA 0.143 4.493 4.350 -0.000 0.000 0.279 87 E C 0.773 177.416 176.600 0.070 0.000 1.045 87 E CA 0.083 56.520 56.400 0.062 0.000 0.833 87 E CB -0.306 29.431 29.700 0.061 0.000 1.077 87 E HN 0.372 nan 8.360 nan 0.000 0.397 88 T N 0.025 114.643 114.554 0.107 0.000 3.129 88 T HA 0.132 4.482 4.350 -0.000 0.000 0.251 88 T C 0.307 175.183 174.700 0.293 0.000 1.117 88 T CA 0.012 62.213 62.100 0.168 0.000 1.034 88 T CB -0.071 68.905 68.868 0.180 0.000 0.968 88 T HN 0.059 nan 8.240 nan 0.000 0.526 89 F N 3.085 122.955 119.950 -0.134 0.000 2.411 89 F HA 0.571 5.098 4.527 -0.000 0.000 0.352 89 F C 0.296 175.953 175.800 -0.239 0.000 1.123 89 F CA -2.285 55.585 58.000 -0.217 0.000 1.044 89 F CB 1.332 40.098 39.000 -0.391 0.000 1.135 89 F HN 0.376 nan 8.300 nan 0.000 0.461 90 E N 1.698 121.879 120.200 -0.032 0.000 2.393 90 E HA 0.633 4.983 4.350 -0.000 0.000 0.273 90 E C -1.730 174.854 176.600 -0.027 0.000 0.918 90 E CA -1.313 55.071 56.400 -0.027 0.000 0.773 90 E CB 2.952 32.647 29.700 -0.008 0.000 1.275 90 E HN 0.420 nan 8.360 nan 0.000 0.451 91 K N 2.509 122.909 120.400 -0.001 0.000 2.601 91 K HA 0.403 4.723 4.320 -0.000 0.000 0.249 91 K C -2.803 173.804 176.600 0.011 0.000 0.966 91 K CA -1.825 54.467 56.287 0.008 0.000 0.827 91 K CB 1.718 34.239 32.500 0.035 0.000 1.178 91 K HN 0.329 nan 8.250 nan 0.000 0.437 109 D N 0.725 121.153 120.400 0.046 0.000 2.769 109 D HA 0.501 5.141 4.640 -0.000 0.000 0.219 109 D C -1.580 174.766 176.300 0.077 0.000 1.245 109 D CA 0.025 54.068 54.000 0.071 0.000 0.801 109 D CB 1.673 42.536 40.800 0.104 0.000 1.598 109 D HN 0.422 nan 8.370 nan 0.000 0.485 110 S N 1.660 117.410 115.700 0.083 0.000 2.548 110 S HA 0.971 5.441 4.470 -0.000 0.000 0.286 110 S C -0.687 173.992 174.600 0.132 0.000 1.098 110 S CA -0.727 57.504 58.200 0.052 0.000 0.930 110 S CB 1.844 65.066 63.200 0.036 0.000 1.070 110 S HN 0.791 nan 8.310 nan 0.000 0.480 111 H N -1.016 118.109 119.070 0.092 0.000 2.887 111 H HA 0.555 5.111 4.556 -0.000 0.000 0.290 111 H C -1.163 174.198 175.328 0.055 0.000 1.429 111 H CA -1.086 55.002 56.048 0.067 0.000 1.137 111 H CB 0.254 30.050 29.762 0.058 0.000 1.824 111 H HN 0.586 nan 8.280 nan 0.000 0.520 112 Q N 0.318 120.256 119.800 0.230 0.000 2.237 112 Q HA 0.198 4.538 4.340 -0.000 0.000 0.219 112 Q C -0.304 175.587 176.000 -0.182 0.000 0.999 112 Q CA -1.112 54.723 55.803 0.054 0.000 0.959 112 Q CB 1.040 29.851 28.738 0.122 0.000 1.173 112 Q HN 0.521 nan 8.270 nan 0.000 0.527 113 K N 1.305 121.450 120.400 -0.426 0.000 2.511 113 K HA -0.030 4.290 4.320 -0.000 0.000 0.280 113 K C -0.709 175.607 176.600 -0.474 0.000 1.008 113 K CA 0.096 55.864 56.287 -0.865 0.000 1.050 113 K CB 0.308 32.595 32.500 -0.354 0.000 0.889 113 K HN 0.339 nan 8.250 nan 0.000 0.484 114 I N 5.399 125.644 120.570 -0.543 0.000 2.359 114 I HA 0.265 4.435 4.170 -0.000 0.000 0.294 114 I C 0.368 176.424 176.117 -0.102 0.000 0.987 114 I CA -0.360 60.816 61.300 -0.206 0.000 1.225 114 I CB 1.325 39.282 38.000 -0.071 0.000 1.366 114 I HN 0.639 nan 8.210 nan 0.000 0.466 115 R N 5.231 125.645 120.500 -0.143 0.000 2.589 115 R HA 0.512 4.852 4.340 -0.000 0.000 0.293 115 R C -0.484 175.709 176.300 -0.178 0.000 0.963 115 R CA -0.748 55.315 56.100 -0.061 0.000 0.905 115 R CB 1.897 32.152 30.300 -0.075 0.000 1.144 115 R HN 0.533 nan 8.270 nan 0.000 0.459 116 H N 2.523 121.517 119.070 -0.126 0.000 2.463 116 H HA 0.355 4.911 4.556 -0.000 0.000 0.332 116 H C -0.634 174.665 175.328 -0.049 0.000 1.127 116 H CA -0.363 55.606 56.048 -0.132 0.000 1.238 116 H CB 1.517 31.250 29.762 -0.049 0.000 1.478 116 H HN 0.480 nan 8.280 nan 0.000 0.499 117 F N 0.859 120.844 119.950 0.058 0.000 2.626 117 F HA 0.489 5.016 4.527 -0.000 0.000 0.311 117 F C -0.952 174.916 175.800 0.114 0.000 1.088 117 F CA -0.997 57.062 58.000 0.099 0.000 0.949 117 F CB 1.597 40.617 39.000 0.033 0.000 1.322 117 F HN 0.490 nan 8.300 nan 0.000 0.461 118 N N -0.539 118.381 118.700 0.365 0.000 2.972 118 N HA 0.216 4.956 4.740 -0.000 0.000 0.262 118 N C -1.851 173.822 175.510 0.270 0.000 1.478 118 N CA -1.041 52.163 53.050 0.255 0.000 0.841 118 N CB 1.742 40.313 38.487 0.140 0.000 1.512 118 N HN 0.855 nan 8.380 nan 0.000 0.548 119 E N -0.996 119.314 120.200 0.183 0.000 2.452 119 E HA 0.297 4.647 4.350 -0.000 0.000 0.261 119 E C 0.667 177.306 176.600 0.065 0.000 0.987 119 E CA 0.324 56.802 56.400 0.129 0.000 0.926 119 E CB 0.074 29.836 29.700 0.103 0.000 0.934 119 E HN 0.893 nan 8.360 nan 0.000 0.452 120 G N 2.732 111.547 108.800 0.024 0.000 2.213 120 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.236 120 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.236 120 G C -0.323 174.548 174.900 -0.047 0.000 0.991 120 G CA 0.096 45.144 45.100 -0.086 0.000 0.629 120 G HN 0.627 nan 8.290 nan 0.000 0.517 121 D N 0.142 120.574 120.400 0.053 0.000 2.313 121 D HA 0.560 5.200 4.640 -0.000 0.000 0.247 121 D C 0.322 176.662 176.300 0.066 0.000 1.094 121 D CA -0.056 53.997 54.000 0.089 0.000 0.925 121 D CB 1.948 42.889 40.800 0.235 0.000 1.188 121 D HN 0.172 nan 8.370 nan 0.000 0.430 122 V N 2.250 122.210 119.914 0.078 0.000 2.555 122 V HA 0.429 4.549 4.120 -0.000 0.000 0.302 122 V C 0.026 176.183 176.094 0.105 0.000 1.038 122 V CA -0.709 61.641 62.300 0.082 0.000 0.887 122 V CB 1.443 33.320 31.823 0.091 0.000 0.991 122 V HN 0.295 nan 8.190 nan 0.000 0.434 123 L N 4.577 125.834 121.223 0.055 0.000 2.319 123 L HA 0.805 5.145 4.340 -0.000 0.000 0.267 123 L C -0.971 175.929 176.870 0.049 0.000 1.011 123 L CA -1.024 53.850 54.840 0.058 0.000 0.818 123 L CB 2.230 44.238 42.059 -0.086 0.000 1.316 123 L HN 0.296 nan 8.230 nan 0.000 0.432 124 V N 3.016 122.978 119.914 0.079 0.000 2.577 124 V HA 0.415 4.535 4.120 -0.000 0.000 0.303 124 V C -0.466 175.607 176.094 -0.035 0.000 1.042 124 V CA -0.452 61.869 62.300 0.034 0.000 0.872 124 V CB 2.293 34.207 31.823 0.152 0.000 0.998 124 V HN 0.394 nan 8.190 nan 0.000 0.423 125 I N 6.198 126.656 120.570 -0.187 0.000 2.321 125 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 125 I C -2.405 173.437 176.117 -0.459 0.000 0.998 125 I CA -2.951 58.208 61.300 -0.235 0.000 1.227 125 I CB 1.305 39.051 38.000 -0.422 0.000 1.368 125 I HN 0.353 nan 8.210 nan 0.000 0.466 126 P HA 0.214 nan 4.420 nan 0.000 0.271 126 P C -2.486 174.521 177.300 -0.488 0.000 1.218 126 P CA -1.170 61.502 63.100 -0.714 0.000 0.780 126 P CB -0.130 31.378 31.700 -0.320 0.000 0.901 127 P HA -0.004 nan 4.420 nan 0.000 0.262 127 P C 1.054 178.216 177.300 -0.229 0.000 1.182 127 P CA 1.330 64.252 63.100 -0.296 0.000 0.761 127 P CB -0.067 31.498 31.700 -0.226 0.000 0.795 128 G N 1.574 110.260 108.800 -0.189 0.000 2.189 128 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.267 128 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.267 128 G C 0.137 174.832 174.900 -0.341 0.000 0.975 128 G CA 0.005 44.962 45.100 -0.239 0.000 0.644 128 G HN 0.548 nan 8.290 nan 0.000 0.537 129 V N 2.770 122.535 119.914 -0.249 0.000 2.408 129 V HA 0.392 4.512 4.120 -0.000 0.000 0.267 129 V C -1.460 174.573 176.094 -0.101 0.000 1.047 129 V CA -1.424 60.711 62.300 -0.276 0.000 0.937 129 V CB 1.367 32.945 31.823 -0.409 0.000 0.999 129 V HN 0.110 nan 8.190 nan 0.000 0.472 130 P HA 0.169 nan 4.420 nan 0.000 0.266 130 P C -1.241 176.101 177.300 0.070 0.000 1.195 130 P CA 0.351 63.472 63.100 0.036 0.000 0.768 130 P CB 0.123 31.824 31.700 0.001 0.000 0.838 131 Y N 1.526 121.734 120.300 -0.152 0.000 2.597 131 Y HA 0.805 5.355 4.550 -0.000 0.000 0.340 131 Y C -1.809 173.928 175.900 -0.271 0.000 1.097 131 Y CA -1.406 56.466 58.100 -0.381 0.000 1.037 131 Y CB 1.216 39.312 38.460 -0.606 0.000 1.305 131 Y HN 0.536 nan 8.280 nan 0.000 0.463 132 W N 1.667 122.734 121.300 -0.390 0.000 3.107 132 W HA 0.738 5.398 4.660 -0.000 0.000 0.331 132 W C -1.956 174.475 176.519 -0.147 0.000 1.204 132 W CA -0.748 56.374 57.345 -0.371 0.000 1.184 132 W CB 1.491 30.819 29.460 -0.221 0.000 1.421 132 W HN 0.999 nan 8.180 nan 0.000 0.544 133 T N -0.283 114.392 114.554 0.203 0.000 2.906 133 T HA 0.672 5.021 4.350 -0.000 0.000 0.295 133 T C -1.929 173.086 174.700 0.525 0.000 1.075 133 T CA -0.529 61.721 62.100 0.251 0.000 1.005 133 T CB 2.972 72.001 68.868 0.269 0.000 1.136 133 T HN 0.599 nan 8.240 nan 0.000 0.498 134 Y N 1.050 121.537 120.300 0.312 0.000 2.504 134 Y HA 0.518 5.068 4.550 -0.000 0.000 0.344 134 Y C -0.736 175.265 175.900 0.169 0.000 1.023 134 Y CA -1.123 57.135 58.100 0.263 0.000 1.020 134 Y CB 1.877 40.518 38.460 0.301 0.000 1.282 134 Y HN 0.997 nan 8.280 nan 0.000 0.454 135 N N 3.190 121.594 118.700 -0.494 0.000 2.422 135 N HA 0.143 4.883 4.740 -0.000 0.000 0.264 135 N C 0.046 175.153 175.510 -0.671 0.000 1.063 135 N CA 0.137 52.942 53.050 -0.408 0.000 0.959 135 N CB 1.131 39.466 38.487 -0.253 0.000 1.087 135 N HN 0.821 nan 8.380 nan 0.000 0.483 136 T N 1.626 116.035 114.554 -0.241 0.000 3.037 136 T HA 0.177 4.527 4.350 -0.000 0.000 0.252 136 T C 0.846 175.560 174.700 0.023 0.000 1.073 136 T CA 0.170 62.279 62.100 0.014 0.000 1.091 136 T CB 0.145 69.121 68.868 0.181 0.000 0.935 136 T HN 0.669 nan 8.240 nan 0.000 0.488 137 G N 0.499 109.287 108.800 -0.021 0.000 2.695 137 G HA2 0.319 4.279 3.960 -0.000 0.000 0.213 137 G HA3 0.319 4.279 3.960 -0.000 0.000 0.213 137 G C -0.102 174.792 174.900 -0.010 0.000 1.406 137 G CA -0.200 44.902 45.100 0.004 0.000 1.049 137 G HN 0.125 nan 8.290 nan 0.000 0.573 138 D N -0.639 119.763 120.400 0.004 0.000 2.369 138 D HA 0.100 4.740 4.640 -0.000 0.000 0.231 138 D C 1.176 177.480 176.300 0.006 0.000 0.967 138 D CA 0.582 54.584 54.000 0.004 0.000 0.905 138 D CB 0.038 40.844 40.800 0.010 0.000 1.044 138 D HN 0.657 nan 8.370 nan 0.000 0.487 139 E N 2.061 122.271 120.200 0.016 0.000 2.371 139 E HA 0.239 4.588 4.350 -0.000 0.000 0.257 139 E C -2.349 174.266 176.600 0.026 0.000 1.134 139 E CA -1.748 54.667 56.400 0.025 0.000 0.919 139 E CB 0.248 29.970 29.700 0.037 0.000 1.025 139 E HN -0.047 nan 8.360 nan 0.000 0.438 140 P HA 0.046 nan 4.420 nan 0.000 0.279 140 P C -0.442 176.899 177.300 0.067 0.000 1.239 140 P CA -0.417 62.707 63.100 0.040 0.000 0.789 140 P CB 1.084 32.807 31.700 0.037 0.000 0.933 141 V N 3.898 123.862 119.914 0.084 0.000 2.498 141 V HA 0.170 4.290 4.120 -0.000 0.000 0.279 141 V C 0.527 176.693 176.094 0.120 0.000 1.048 141 V CA -0.169 62.214 62.300 0.138 0.000 0.967 141 V CB 1.465 33.416 31.823 0.213 0.000 0.988 141 V HN 0.287 nan 8.190 nan 0.000 0.473 142 V N 4.199 124.187 119.914 0.123 0.000 2.531 142 V HA 0.874 4.994 4.120 -0.000 0.000 0.301 142 V C 0.009 176.159 176.094 0.093 0.000 1.034 142 V CA -0.391 61.971 62.300 0.104 0.000 0.865 142 V CB 1.683 33.574 31.823 0.113 0.000 0.995 142 V HN 1.017 nan 8.190 nan 0.000 0.424 143 A N 5.365 128.222 122.820 0.063 0.000 2.455 143 A HA 0.928 5.248 4.320 -0.000 0.000 0.300 143 A C -1.040 176.545 177.584 0.001 0.000 1.040 143 A CA -0.538 51.512 52.037 0.022 0.000 0.697 143 A CB 1.555 20.537 19.000 -0.031 0.000 1.265 143 A HN 1.209 nan 8.150 nan 0.000 0.407 144 I N 0.182 120.727 120.570 -0.041 0.000 2.378 144 I HA 0.755 4.925 4.170 -0.000 0.000 0.291 144 I C -0.166 175.891 176.117 -0.099 0.000 0.992 144 I CA -0.235 60.990 61.300 -0.125 0.000 1.154 144 I CB 2.050 39.771 38.000 -0.466 0.000 1.315 144 I HN 0.358 nan 8.210 nan 0.000 0.448 145 S N 7.174 122.791 115.700 -0.140 0.000 2.442 145 S HA 0.501 4.970 4.470 -0.000 0.000 0.297 145 S C -0.604 173.764 174.600 -0.388 0.000 1.131 145 S CA -0.811 57.267 58.200 -0.203 0.000 1.092 145 S CB 0.982 64.141 63.200 -0.068 0.000 0.998 145 S HN 0.744 nan 8.310 nan 0.000 0.478 146 L N 7.196 128.036 121.223 -0.637 0.000 2.268 146 L HA 0.438 4.778 4.340 -0.000 0.000 0.289 146 L C -1.084 175.579 176.870 -0.345 0.000 1.064 146 L CA -0.325 54.099 54.840 -0.692 0.000 0.824 146 L CB 0.264 41.690 42.059 -1.055 0.000 1.202 146 L HN 0.723 nan 8.230 nan 0.000 0.433 147 L N 5.156 126.232 121.223 -0.245 0.000 2.295 147 L HA 0.168 4.508 4.340 -0.000 0.000 0.288 147 L C 0.084 176.765 176.870 -0.315 0.000 1.079 147 L CA -0.367 54.372 54.840 -0.168 0.000 0.830 147 L CB 0.651 42.619 42.059 -0.152 0.000 1.200 147 L HN 0.535 nan 8.230 nan 0.000 0.438 148 D N 2.053 122.321 120.400 -0.219 0.000 2.558 148 D HA 0.014 4.654 4.640 -0.000 0.000 0.221 148 D C 1.550 177.652 176.300 -0.330 0.000 1.143 148 D CA -0.172 53.698 54.000 -0.217 0.000 1.010 148 D CB 0.740 41.484 40.800 -0.093 0.000 1.068 148 D HN 0.602 nan 8.370 nan 0.000 0.511 149 T N -1.367 112.859 114.554 -0.547 0.000 2.915 149 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 149 T C 1.661 176.226 174.700 -0.225 0.000 1.071 149 T CA 1.064 62.814 62.100 -0.585 0.000 1.132 149 T CB -0.260 68.257 68.868 -0.585 0.000 0.878 149 T HN 0.230 nan 8.240 nan 0.000 0.479 150 S N 0.751 116.364 115.700 -0.145 0.000 2.631 150 S HA 0.114 4.584 4.470 -0.000 0.000 0.217 150 S C 0.659 175.257 174.600 -0.003 0.000 0.958 150 S CA -0.712 57.457 58.200 -0.053 0.000 0.920 150 S CB -0.794 62.385 63.200 -0.035 0.000 0.776 150 S HN 0.590 nan 8.310 nan 0.000 0.517 151 N N 1.531 120.214 118.700 -0.028 0.000 2.454 151 N HA -0.020 4.720 4.740 -0.000 0.000 0.254 151 N C 0.930 176.420 175.510 -0.033 0.000 1.228 151 N CA 0.112 53.140 53.050 -0.037 0.000 0.900 151 N CB 0.359 38.769 38.487 -0.130 0.000 1.089 151 N HN 0.404 nan 8.380 nan 0.000 0.449 152 F N 3.105 123.084 119.950 0.048 0.000 2.373 152 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 152 F C 1.402 177.234 175.800 0.053 0.000 1.080 152 F CA 0.583 58.610 58.000 0.045 0.000 1.417 152 F CB -0.336 38.687 39.000 0.038 0.000 1.070 152 F HN 0.382 nan 8.300 nan 0.000 0.546 153 N N 0.622 119.034 118.700 -0.479 0.000 2.457 153 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 153 N C 0.003 175.463 175.510 -0.082 0.000 1.050 153 N CA 0.477 53.359 53.050 -0.280 0.000 0.906 153 N CB -0.491 37.769 38.487 -0.377 0.000 0.968 153 N HN 0.306 nan 8.380 nan 0.000 0.445 154 N N 1.767 120.450 118.700 -0.029 0.000 2.406 154 N HA 0.054 4.794 4.740 -0.000 0.000 0.251 154 N C 0.075 175.620 175.510 0.057 0.000 1.069 154 N CA 0.216 53.297 53.050 0.052 0.000 0.947 154 N CB 0.595 39.153 38.487 0.118 0.000 1.111 154 N HN 0.058 nan 8.380 nan 0.000 0.497 155 Q N 2.982 122.816 119.800 0.056 0.000 2.220 155 Q HA 0.218 4.558 4.340 -0.000 0.000 0.205 155 Q C 0.777 176.814 176.000 0.062 0.000 0.865 155 Q CA -0.071 55.768 55.803 0.060 0.000 0.960 155 Q CB 0.791 29.560 28.738 0.053 0.000 1.097 155 Q HN 0.623 nan 8.270 nan 0.000 0.493 156 L N 0.256 121.524 121.223 0.075 0.000 2.140 156 L HA 0.096 4.436 4.340 -0.000 0.000 0.201 156 L C 0.232 177.141 176.870 0.065 0.000 1.191 156 L CA 0.822 55.710 54.840 0.080 0.000 0.825 156 L CB 0.149 42.276 42.059 0.113 0.000 0.970 156 L HN 0.246 nan 8.230 nan 0.000 0.477 157 D N -3.909 116.530 120.400 0.066 0.000 2.692 157 D HA 0.031 4.671 4.640 -0.000 0.000 0.290 157 D C -0.313 176.002 176.300 0.026 0.000 1.281 157 D CA -0.674 53.350 54.000 0.040 0.000 0.804 157 D CB 1.088 41.906 40.800 0.030 0.000 1.331 157 D HN 0.000 nan 8.370 nan 0.000 0.432 158 Q N -0.842 118.955 119.800 -0.004 0.000 2.515 158 Q HA 0.135 4.475 4.340 -0.000 0.000 0.214 158 Q C -0.540 175.414 176.000 -0.075 0.000 0.971 158 Q CA 0.308 56.081 55.803 -0.049 0.000 0.952 158 Q CB -0.331 28.378 28.738 -0.047 0.000 0.999 158 Q HN 0.312 nan 8.270 nan 0.000 0.524 159 N N 1.816 120.495 118.700 -0.034 0.000 2.520 159 N HA 0.124 4.864 4.740 -0.000 0.000 0.273 159 N C -2.602 172.874 175.510 -0.057 0.000 1.155 159 N CA -1.268 51.755 53.050 -0.044 0.000 0.967 159 N CB 0.745 39.227 38.487 -0.009 0.000 1.092 159 N HN 0.063 nan 8.380 nan 0.000 0.457 160 P HA 0.082 nan 4.420 nan 0.000 0.268 160 P C -0.938 176.380 177.300 0.029 0.000 1.204 160 P CA 0.310 63.302 63.100 -0.179 0.000 0.768 160 P CB 0.818 32.093 31.700 -0.709 0.000 0.842 161 R N 1.253 121.885 120.500 0.220 0.000 2.651 161 R HA 0.631 4.971 4.340 -0.000 0.000 0.278 161 R C -1.332 175.008 176.300 0.066 0.000 1.010 161 R CA -1.034 55.117 56.100 0.084 0.000 0.896 161 R CB 2.459 32.799 30.300 0.066 0.000 1.211 161 R HN 0.205 nan 8.270 nan 0.000 0.456 162 V N 3.183 123.066 119.914 -0.050 0.000 2.524 162 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 162 V C -1.167 174.770 176.094 -0.262 0.000 1.035 162 V CA -0.802 61.444 62.300 -0.090 0.000 0.867 162 V CB 1.460 33.287 31.823 0.006 0.000 1.004 162 V HN 0.531 nan 8.190 nan 0.000 0.426 163 F N 4.044 123.649 119.950 -0.576 0.000 2.404 163 F HA 0.586 5.113 4.527 -0.000 0.000 0.354 163 F C -0.097 175.332 175.800 -0.619 0.000 1.122 163 F CA -0.798 56.833 58.000 -0.615 0.000 1.080 163 F CB 0.853 39.186 39.000 -1.113 0.000 1.131 163 F HN 0.367 nan 8.300 nan 0.000 0.471 164 Y N 3.404 123.679 120.300 -0.042 0.000 2.320 164 Y HA 0.310 4.860 4.550 -0.000 0.000 0.334 164 Y C 0.987 176.931 175.900 0.075 0.000 1.055 164 Y CA -0.390 57.714 58.100 0.007 0.000 1.143 164 Y CB 1.348 39.813 38.460 0.009 0.000 1.193 164 Y HN 0.531 nan 8.280 nan 0.000 0.477 165 L N 2.656 124.018 121.223 0.232 0.000 2.509 165 L HA 0.293 4.633 4.340 -0.000 0.000 0.222 165 L C 0.654 177.630 176.870 0.177 0.000 1.123 165 L CA 0.305 55.270 54.840 0.209 0.000 0.856 165 L CB -0.039 42.116 42.059 0.160 0.000 0.985 165 L HN 0.664 nan 8.230 nan 0.000 0.456 166 A N -1.223 121.712 122.820 0.192 0.000 2.594 166 A HA 0.705 5.025 4.320 -0.000 0.000 0.291 166 A C 0.025 177.655 177.584 0.077 0.000 1.105 166 A CA 0.022 52.130 52.037 0.119 0.000 0.694 166 A CB 0.935 19.980 19.000 0.075 0.000 1.291 166 A HN 0.193 nan 8.150 nan 0.000 0.410 167 G N 0.111 108.926 108.800 0.025 0.000 2.750 167 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.228 167 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.228 167 G C -0.594 174.274 174.900 -0.053 0.000 1.367 167 G CA -0.026 45.055 45.100 -0.032 0.000 0.871 167 G HN 1.280 nan 8.290 nan 0.000 0.560 168 N N 2.085 120.732 118.700 -0.088 0.000 2.626 168 N HA 0.528 5.268 4.740 -0.000 0.000 0.249 168 N C -2.737 172.688 175.510 -0.141 0.000 1.021 168 N CA -1.129 51.870 53.050 -0.084 0.000 0.886 168 N CB 2.621 41.078 38.487 -0.050 0.000 1.149 168 N HN 0.521 nan 8.380 nan 0.000 0.517 169 P HA 0.247 nan 4.420 nan 0.000 0.288 169 P C -0.878 176.337 177.300 -0.142 0.000 1.267 169 P CA -0.299 62.636 63.100 -0.276 0.000 0.815 169 P CB 1.482 32.847 31.700 -0.557 0.000 0.989 170 D N 1.461 121.793 120.400 -0.113 0.000 2.313 170 D HA 0.204 4.844 4.640 -0.000 0.000 0.247 170 D C 0.412 176.703 176.300 -0.015 0.000 1.094 170 D CA -0.163 53.809 54.000 -0.047 0.000 0.925 170 D CB 0.391 41.173 40.800 -0.030 0.000 1.188 170 D HN 0.176 nan 8.370 nan 0.000 0.430 171 I N 2.401 122.978 120.570 0.011 0.000 2.581 171 I HA -0.049 4.121 4.170 -0.000 0.000 0.285 171 I C 1.556 177.693 176.117 0.033 0.000 1.129 171 I CA 0.601 61.907 61.300 0.010 0.000 1.397 171 I CB -0.062 37.924 38.000 -0.023 0.000 1.399 171 I HN 0.463 nan 8.210 nan 0.000 0.537 172 E N 4.366 124.556 120.200 -0.016 0.000 2.230 172 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 172 E C -0.260 176.099 176.600 -0.403 0.000 0.987 172 E CA 0.832 57.135 56.400 -0.162 0.000 0.841 172 E CB 0.166 29.715 29.700 -0.250 0.000 0.783 172 E HN 0.635 nan 8.360 nan 0.000 0.481 173 H N 0.064 119.151 119.070 0.028 0.000 2.541 173 H HA 0.107 4.663 4.556 -0.000 0.000 0.246 173 H C -1.875 173.391 175.328 -0.105 0.000 1.341 173 H CA -1.712 54.328 56.048 -0.014 0.000 1.469 173 H CB 0.954 30.735 29.762 0.032 0.000 1.472 173 H HN 0.037 nan 8.280 nan 0.000 0.503 174 P HA -0.216 nan 4.420 nan 0.000 0.218 174 P C 1.272 178.506 177.300 -0.110 0.000 1.149 174 P CA 1.159 64.121 63.100 -0.230 0.000 0.817 174 P CB 0.618 32.025 31.700 -0.489 0.000 0.785 175 E N 1.028 121.183 120.200 -0.076 0.000 2.401 175 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 175 E C 1.400 177.989 176.600 -0.019 0.000 1.023 175 E CA 1.767 58.144 56.400 -0.039 0.000 0.859 175 E CB -1.499 28.189 29.700 -0.019 0.000 0.780 175 E HN 0.339 nan 8.360 nan 0.000 0.523 176 T N -2.068 112.484 114.554 -0.003 0.000 3.055 176 T HA 0.021 4.371 4.350 -0.000 0.000 0.265 176 T C 1.775 176.466 174.700 -0.016 0.000 1.111 176 T CA 0.367 62.465 62.100 -0.003 0.000 1.118 176 T CB 0.002 68.878 68.868 0.013 0.000 0.909 176 T HN -0.050 nan 8.240 nan 0.000 0.501 177 M N 0.957 120.542 119.600 -0.026 0.000 2.094 177 M HA 0.256 4.736 4.480 -0.000 0.000 0.256 177 M C 1.619 177.903 176.300 -0.027 0.000 1.096 177 M CA 0.979 56.261 55.300 -0.030 0.000 1.133 177 M CB -1.299 31.278 32.600 -0.038 0.000 1.284 177 M HN 0.405 nan 8.290 nan 0.000 0.424 201 G N 0.523 109.300 108.800 -0.038 0.000 2.975 201 G HA2 0.804 4.764 3.960 -0.000 0.000 0.291 201 G HA3 0.804 4.764 3.960 -0.000 0.000 0.291 201 G C -0.616 174.266 174.900 -0.030 0.000 1.334 201 G CA -0.295 44.785 45.100 -0.034 0.000 0.843 201 G HN 0.610 nan 8.290 nan 0.000 0.548 202 G N -0.704 108.085 108.800 -0.017 0.000 2.569 202 G HA2 0.629 4.589 3.960 -0.000 0.000 0.300 202 G HA3 0.629 4.589 3.960 -0.000 0.000 0.300 202 G C 0.106 175.029 174.900 0.040 0.000 1.269 202 G CA 0.467 45.569 45.100 0.003 0.000 0.959 202 G HN 1.345 nan 8.290 nan 0.000 0.478 203 S N -1.133 114.612 115.700 0.074 0.000 2.600 203 S HA 0.196 4.666 4.470 -0.000 0.000 0.265 203 S C 1.736 176.429 174.600 0.156 0.000 1.325 203 S CA 0.115 58.401 58.200 0.144 0.000 1.002 203 S CB 1.317 64.608 63.200 0.153 0.000 0.921 203 S HN 1.544 nan 8.310 nan 0.000 0.554 204 V N -0.209 119.835 119.914 0.217 0.000 2.759 204 V HA -0.043 4.077 4.120 -0.000 0.000 0.256 204 V C 1.828 178.135 176.094 0.354 0.000 1.080 204 V CA 1.252 63.710 62.300 0.263 0.000 1.101 204 V CB -1.312 30.733 31.823 0.369 0.000 0.698 204 V HN 0.817 nan 8.190 nan 0.000 0.477 205 L N 1.631 123.066 121.223 0.353 0.000 2.240 205 L HA -0.026 4.313 4.340 -0.000 0.000 0.211 205 L C 2.806 179.901 176.870 0.374 0.000 1.106 205 L CA 1.363 56.476 54.840 0.455 0.000 0.793 205 L CB -0.548 41.705 42.059 0.324 0.000 0.927 205 L HN 0.596 nan 8.230 nan 0.000 0.446 206 S N -0.395 115.428 115.700 0.205 0.000 2.507 206 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 206 S C 1.848 176.486 174.600 0.062 0.000 0.988 206 S CA 0.742 59.019 58.200 0.127 0.000 0.944 206 S CB -0.512 62.731 63.200 0.073 0.000 0.762 206 S HN 0.424 nan 8.310 nan 0.000 0.526 207 G N -0.066 108.719 108.800 -0.025 0.000 2.848 207 G HA2 0.298 4.258 3.960 -0.000 0.000 0.208 207 G HA3 0.298 4.258 3.960 -0.000 0.000 0.208 207 G C -0.009 174.660 174.900 -0.386 0.000 1.152 207 G CA -0.188 44.773 45.100 -0.233 0.000 0.789 207 G HN 0.473 nan 8.290 nan 0.000 0.531 208 F N 0.733 120.722 119.950 0.065 0.000 2.507 208 F HA 0.490 5.017 4.527 -0.000 0.000 0.327 208 F C 0.816 176.664 175.800 0.080 0.000 1.068 208 F CA -1.298 56.742 58.000 0.068 0.000 0.965 208 F CB 1.754 40.839 39.000 0.142 0.000 1.192 208 F HN -0.052 nan 8.300 nan 0.000 0.476 209 S N 0.801 116.666 115.700 0.275 0.000 2.592 209 S HA 0.171 4.641 4.470 -0.000 0.000 0.271 209 S C 1.003 175.730 174.600 0.212 0.000 1.326 209 S CA -0.664 57.658 58.200 0.203 0.000 1.024 209 S CB 1.060 64.366 63.200 0.177 0.000 0.921 209 S HN 0.852 nan 8.310 nan 0.000 0.527 210 K N 0.657 121.153 120.400 0.160 0.000 2.211 210 K HA -0.252 4.068 4.320 -0.000 0.000 0.204 210 K C 1.694 178.375 176.600 0.135 0.000 1.047 210 K CA 1.866 58.231 56.287 0.131 0.000 0.935 210 K CB -0.517 32.048 32.500 0.107 0.000 0.728 210 K HN 0.817 nan 8.250 nan 0.000 0.452 211 H N 0.177 119.292 119.070 0.075 0.000 2.372 211 H HA -0.040 4.516 4.556 -0.000 0.000 0.301 211 H C 1.554 176.915 175.328 0.054 0.000 1.065 211 H CA 1.492 57.572 56.048 0.054 0.000 1.364 211 H CB -0.236 29.565 29.762 0.066 0.000 1.406 211 H HN 0.313 nan 8.280 nan 0.000 0.521 212 F N -0.480 119.405 119.950 -0.108 0.000 2.293 212 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 212 F C 1.625 177.232 175.800 -0.322 0.000 1.086 212 F CA 0.448 58.321 58.000 -0.212 0.000 1.375 212 F CB 0.006 38.970 39.000 -0.061 0.000 1.045 212 F HN 0.185 nan 8.300 nan 0.000 0.516 213 L N 0.004 121.072 121.223 -0.258 0.000 2.179 213 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 213 L C 2.517 179.105 176.870 -0.469 0.000 1.096 213 L CA 1.577 56.117 54.840 -0.500 0.000 0.779 213 L CB -1.314 40.655 42.059 -0.151 0.000 0.922 213 L HN 0.186 nan 8.230 nan 0.000 0.443 214 A N -1.389 121.270 122.820 -0.268 0.000 1.872 214 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 214 A C 2.171 179.588 177.584 -0.278 0.000 1.187 214 A CA 1.207 53.139 52.037 -0.176 0.000 0.614 214 A CB -0.395 18.555 19.000 -0.083 0.000 0.826 214 A HN 0.472 nan 8.150 nan 0.000 0.442 215 Q N -0.334 119.213 119.800 -0.422 0.000 2.084 215 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 215 Q C 2.435 178.150 176.000 -0.474 0.000 0.978 215 Q CA 1.715 57.263 55.803 -0.425 0.000 0.844 215 Q CB -0.218 28.217 28.738 -0.506 0.000 0.898 215 Q HN 0.608 nan 8.270 nan 0.000 0.426 216 S N -0.072 115.173 115.700 -0.758 0.000 2.383 216 S HA -0.036 4.434 4.470 -0.000 0.000 0.227 216 S C 1.072 175.391 174.600 -0.468 0.000 1.026 216 S CA 0.960 58.663 58.200 -0.828 0.000 0.981 216 S CB -0.002 62.373 63.200 -1.374 0.000 0.818 216 S HN 0.329 nan 8.310 nan 0.000 0.472 217 F N 1.494 121.307 119.950 -0.228 0.000 2.647 217 F HA 0.338 4.865 4.527 -0.000 0.000 0.300 217 F C 0.367 176.099 175.800 -0.114 0.000 1.106 217 F CA -0.666 57.245 58.000 -0.149 0.000 1.313 217 F CB -0.144 38.784 39.000 -0.121 0.000 1.007 217 F HN 0.048 nan 8.300 nan 0.000 0.536 218 N N 1.392 120.091 118.700 -0.002 0.000 2.716 218 N HA -0.196 4.544 4.740 -0.000 0.000 0.250 218 N C 0.111 175.624 175.510 0.006 0.000 1.033 218 N CA 0.994 54.033 53.050 -0.019 0.000 0.727 218 N CB -1.267 37.217 38.487 -0.006 0.000 0.950 218 N HN 0.333 nan 8.380 nan 0.000 0.541 219 T N -0.024 114.536 114.554 0.010 0.000 2.905 219 T HA 0.342 4.692 4.350 -0.000 0.000 0.283 219 T C -0.242 174.464 174.700 0.011 0.000 1.031 219 T CA -0.835 61.280 62.100 0.024 0.000 1.002 219 T CB 1.183 70.091 68.868 0.066 0.000 1.200 219 T HN 0.344 nan 8.240 nan 0.000 0.560 220 N N 1.133 119.846 118.700 0.021 0.000 2.513 220 N HA 0.199 4.939 4.740 -0.000 0.000 0.274 220 N C 0.425 175.954 175.510 0.032 0.000 1.189 220 N CA -0.563 52.501 53.050 0.023 0.000 0.975 220 N CB 1.164 39.664 38.487 0.021 0.000 1.157 220 N HN 0.642 nan 8.380 nan 0.000 0.465 221 E N -0.274 119.951 120.200 0.042 0.000 2.333 221 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 221 E C 0.741 177.371 176.600 0.049 0.000 1.007 221 E CA 0.715 57.147 56.400 0.054 0.000 0.845 221 E CB 0.033 29.776 29.700 0.071 0.000 0.766 221 E HN 0.598 nan 8.360 nan 0.000 0.507 222 D N 0.162 120.586 120.400 0.039 0.000 2.123 222 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 222 D C 1.697 178.019 176.300 0.037 0.000 0.976 222 D CA 1.126 55.146 54.000 0.034 0.000 0.831 222 D CB 0.234 41.049 40.800 0.025 0.000 0.974 222 D HN 0.024 nan 8.370 nan 0.000 0.469 223 T N 0.411 114.988 114.554 0.038 0.000 2.770 223 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 223 T C 2.018 176.756 174.700 0.062 0.000 1.039 223 T CA 1.477 63.602 62.100 0.042 0.000 1.142 223 T CB -0.372 68.520 68.868 0.040 0.000 0.868 223 T HN 0.245 nan 8.240 nan 0.000 0.435 224 A N 1.548 124.410 122.820 0.070 0.000 1.940 224 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 224 A C 2.225 179.863 177.584 0.090 0.000 1.176 224 A CA 1.992 54.081 52.037 0.087 0.000 0.631 224 A CB -0.600 18.433 19.000 0.055 0.000 0.814 224 A HN 0.642 nan 8.150 nan 0.000 0.446 225 E N 0.175 120.419 120.200 0.073 0.000 2.047 225 E HA -0.218 4.131 4.350 -0.000 0.000 0.191 225 E C 1.821 178.460 176.600 0.064 0.000 0.987 225 E CA 1.441 57.882 56.400 0.068 0.000 0.799 225 E CB -0.184 29.547 29.700 0.052 0.000 0.752 225 E HN 0.639 nan 8.360 nan 0.000 0.449 226 K N 0.329 120.761 120.400 0.055 0.000 2.283 226 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 226 K C 2.223 178.858 176.600 0.059 0.000 1.048 226 K CA 0.664 56.979 56.287 0.046 0.000 0.948 226 K CB -0.055 32.464 32.500 0.032 0.000 0.742 226 K HN 0.254 nan 8.250 nan 0.000 0.458 227 L N 1.255 122.528 121.223 0.083 0.000 2.362 227 L HA -0.126 4.214 4.340 -0.000 0.000 0.219 227 L C 1.945 178.890 176.870 0.125 0.000 1.134 227 L CA 0.944 55.848 54.840 0.107 0.000 0.807 227 L CB -0.285 41.871 42.059 0.162 0.000 0.927 227 L HN 0.240 nan 8.230 nan 0.000 0.447 228 R N -0.964 119.606 120.500 0.116 0.000 2.466 228 R HA 0.208 4.548 4.340 -0.000 0.000 0.279 228 R C 0.169 176.517 176.300 0.080 0.000 0.976 228 R CA -0.049 56.122 56.100 0.119 0.000 1.081 228 R CB 0.018 30.398 30.300 0.134 0.000 1.215 228 R HN -0.016 nan 8.270 nan 0.000 0.546 229 S N 1.593 117.330 115.700 0.062 0.000 3.356 229 S HA -0.091 4.379 4.470 -0.000 0.000 0.376 229 S C -1.793 172.824 174.600 0.028 0.000 0.924 229 S CA 0.330 58.552 58.200 0.037 0.000 1.316 229 S CB -0.699 62.519 63.200 0.029 0.000 0.922 229 S HN 0.408 nan 8.310 nan 0.000 0.553 230 P HA 0.009 nan 4.420 nan 0.000 0.214 230 P C 0.543 177.850 177.300 0.012 0.000 1.162 230 P CA 1.018 64.132 63.100 0.023 0.000 0.874 230 P CB 0.146 31.861 31.700 0.026 0.000 0.784 231 D N -1.493 118.912 120.400 0.008 0.000 2.772 231 D HA 0.059 4.699 4.640 -0.000 0.000 0.272 231 D C -0.571 175.727 176.300 -0.004 0.000 1.314 231 D CA -0.146 53.855 54.000 0.001 0.000 0.835 231 D CB -0.391 40.410 40.800 0.002 0.000 1.080 231 D HN -0.046 nan 8.370 nan 0.000 0.482 232 D N 0.831 121.228 120.400 -0.006 0.000 2.325 232 D HA 0.081 4.721 4.640 -0.000 0.000 0.251 232 D C 0.465 176.751 176.300 -0.024 0.000 1.196 232 D CA 0.196 54.188 54.000 -0.014 0.000 0.866 232 D CB 0.906 41.697 40.800 -0.014 0.000 1.101 232 D HN 0.178 nan 8.370 nan 0.000 0.476 233 E N 2.241 122.426 120.200 -0.024 0.000 2.526 233 E HA 0.108 4.458 4.350 -0.000 0.000 0.208 233 E C 1.425 178.004 176.600 -0.035 0.000 0.997 233 E CA -0.148 56.235 56.400 -0.029 0.000 0.961 233 E CB 0.671 30.358 29.700 -0.022 0.000 1.030 233 E HN 0.344 nan 8.360 nan 0.000 0.483 234 R N 1.275 121.755 120.500 -0.034 0.000 2.189 234 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 234 R C 0.309 176.576 176.300 -0.055 0.000 1.092 234 R CA 0.734 56.813 56.100 -0.035 0.000 0.989 234 R CB -0.281 30.003 30.300 -0.026 0.000 0.876 234 R HN -0.030 nan 8.270 nan 0.000 0.457 235 K N -1.288 119.067 120.400 -0.075 0.000 1.200 235 K HA -0.226 4.094 4.320 -0.000 0.000 0.773 235 K C 0.879 177.386 176.600 -0.156 0.000 2.023 235 K CA 1.107 57.323 56.287 -0.118 0.000 1.213 235 K CB -0.802 31.634 32.500 -0.107 0.000 2.254 235 K HN 0.222 nan 8.250 nan 0.000 0.392 236 Q N 1.096 120.754 119.800 -0.237 0.000 2.436 236 Q HA -0.026 4.314 4.340 -0.000 0.000 0.209 236 Q C 0.650 176.605 176.000 -0.076 0.000 0.965 236 Q CA 1.495 57.134 55.803 -0.274 0.000 0.910 236 Q CB 0.059 28.504 28.738 -0.488 0.000 0.980 236 Q HN 0.504 nan 8.270 nan 0.000 0.491 237 I N 2.938 123.461 120.570 -0.078 0.000 2.464 237 I HA 0.201 4.371 4.170 -0.000 0.000 0.277 237 I C 0.145 176.264 176.117 0.003 0.000 1.040 237 I CA -0.998 60.287 61.300 -0.024 0.000 1.153 237 I CB 1.599 39.550 38.000 -0.082 0.000 1.274 237 I HN -0.082 nan 8.210 nan 0.000 0.469 238 V N 2.259 122.194 119.914 0.036 0.000 3.610 238 V HA 0.581 4.701 4.120 -0.000 0.000 0.285 238 V C 0.220 176.348 176.094 0.055 0.000 1.012 238 V CA -0.105 62.213 62.300 0.030 0.000 0.975 238 V CB 1.483 33.321 31.823 0.024 0.000 1.247 238 V HN 0.584 nan 8.190 nan 0.000 0.424 239 T N 0.747 115.331 114.554 0.050 0.000 2.841 239 T HA 0.554 4.904 4.350 -0.000 0.000 0.285 239 T C -0.660 174.086 174.700 0.076 0.000 0.991 239 T CA -0.250 61.890 62.100 0.067 0.000 0.966 239 T CB 1.286 70.179 68.868 0.041 0.000 0.962 239 T HN 0.691 nan 8.240 nan 0.000 0.438 240 V N 4.324 124.316 119.914 0.130 0.000 2.368 240 V HA 0.265 4.385 4.120 -0.000 0.000 0.266 240 V C 0.656 176.811 176.094 0.102 0.000 1.045 240 V CA -0.633 61.736 62.300 0.115 0.000 0.899 240 V CB 0.723 32.647 31.823 0.167 0.000 1.006 240 V HN 0.794 nan 8.190 nan 0.000 0.470 241 E N 3.274 123.507 120.200 0.055 0.000 2.257 241 E HA 0.417 4.767 4.350 -0.000 0.000 0.278 241 E C 1.172 177.793 176.600 0.036 0.000 1.049 241 E CA 0.866 57.291 56.400 0.042 0.000 0.876 241 E CB 1.251 30.965 29.700 0.024 0.000 1.035 241 E HN 0.979 nan 8.360 nan 0.000 0.419 242 G N 2.864 111.687 108.800 0.040 0.000 2.317 242 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.227 242 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.227 242 G C 0.496 175.421 174.900 0.042 0.000 1.042 242 G CA -0.107 45.009 45.100 0.027 0.000 0.623 242 G HN 1.179 nan 8.290 nan 0.000 0.509 243 G N -1.315 107.533 108.800 0.080 0.000 2.362 243 G HA2 0.462 4.422 3.960 -0.000 0.000 0.656 243 G HA3 0.462 4.422 3.960 -0.000 0.000 0.656 243 G C -1.088 173.850 174.900 0.064 0.000 1.376 243 G CA 0.003 45.189 45.100 0.143 0.000 0.971 243 G HN 1.535 nan 8.290 nan 0.000 0.636 244 L N 0.845 122.069 121.223 0.002 0.000 2.334 244 L HA 0.887 5.227 4.340 -0.000 0.000 0.275 244 L C 0.664 177.573 176.870 0.066 0.000 1.036 244 L CA 0.085 54.793 54.840 -0.220 0.000 0.807 244 L CB 2.085 43.615 42.059 -0.882 0.000 1.231 244 L HN 1.457 nan 8.230 nan 0.000 0.438 245 S N 4.099 119.852 115.700 0.088 0.000 2.779 245 S HA 0.738 5.208 4.470 -0.000 0.000 0.293 245 S C -0.730 173.990 174.600 0.200 0.000 1.150 245 S CA -0.483 57.901 58.200 0.307 0.000 1.057 245 S CB 0.898 64.186 63.200 0.148 0.000 1.021 245 S HN 0.795 nan 8.310 nan 0.000 0.485 246 V N 0.696 120.780 119.914 0.283 0.000 3.046 246 V HA 0.708 4.828 4.120 -0.000 0.000 0.316 246 V C -0.172 176.091 176.094 0.282 0.000 1.104 246 V CA -1.478 60.874 62.300 0.087 0.000 1.006 246 V CB 1.067 32.778 31.823 -0.186 0.000 1.058 246 V HN 0.872 nan 8.190 nan 0.000 0.440 247 I N 2.778 123.628 120.570 0.468 0.000 2.452 247 I HA 0.516 4.686 4.170 -0.000 0.000 0.287 247 I C 0.502 176.879 176.117 0.432 0.000 1.079 247 I CA 0.878 62.415 61.300 0.395 0.000 1.387 247 I CB 0.923 39.097 38.000 0.291 0.000 1.404 247 I HN 0.816 nan 8.210 nan 0.000 0.522 248 S N 6.159 122.048 115.700 0.315 0.000 2.548 248 S HA 0.413 4.883 4.470 -0.000 0.000 0.278 248 S C -1.992 172.730 174.600 0.204 0.000 1.150 248 S CA -0.884 57.505 58.200 0.315 0.000 0.907 248 S CB 1.555 64.901 63.200 0.243 0.000 1.108 248 S HN 0.361 nan 8.310 nan 0.000 0.459 249 P HA -0.038 nan 4.420 nan 0.000 0.211 249 P C -0.255 177.103 177.300 0.096 0.000 1.179 249 P CA 0.866 63.992 63.100 0.043 0.000 0.910 249 P CB 0.127 31.813 31.700 -0.023 0.000 0.785 250 K N -0.155 120.271 120.400 0.043 0.000 2.278 250 K HA 0.146 4.466 4.320 -0.000 0.000 0.289 250 K C -1.252 175.505 176.600 0.261 0.000 1.080 250 K CA 0.027 56.320 56.287 0.010 0.000 0.934 250 K CB -0.271 32.065 32.500 -0.274 0.000 1.093 250 K HN 0.046 nan 8.250 nan 0.000 0.459 322 V N -1.293 118.623 119.914 0.003 0.000 3.263 322 V HA 0.574 4.694 4.120 -0.000 0.000 0.208 322 V C 0.800 176.891 176.094 -0.005 0.000 1.184 322 V CA 1.005 63.306 62.300 0.001 0.000 1.341 322 V CB -1.155 30.666 31.823 -0.004 0.000 1.238 322 V HN 0.908 nan 8.190 nan 0.000 0.504 323 E N 0.544 120.734 120.200 -0.016 0.000 3.730 323 E HA -0.212 4.138 4.350 -0.000 0.000 0.210 323 E C 0.350 176.925 176.600 -0.040 0.000 2.009 323 E CA 0.714 57.094 56.400 -0.032 0.000 0.925 323 E CB -0.657 29.017 29.700 -0.044 0.000 0.994 323 E HN 0.756 nan 8.360 nan 0.000 0.339 324 E N 1.277 121.455 120.200 -0.038 0.000 2.460 324 E HA 0.092 4.442 4.350 -0.000 0.000 0.200 324 E C 0.637 177.205 176.600 -0.053 0.000 1.011 324 E CA 0.169 56.546 56.400 -0.037 0.000 0.912 324 E CB 0.310 29.996 29.700 -0.024 0.000 0.953 324 E HN 0.504 nan 8.360 nan 0.000 0.494 325 N N 0.719 119.382 118.700 -0.062 0.000 2.223 325 N HA 0.085 4.825 4.740 -0.000 0.000 0.258 325 N C 1.382 176.826 175.510 -0.109 0.000 1.251 325 N CA -0.425 52.582 53.050 -0.071 0.000 0.894 325 N CB 0.158 38.612 38.487 -0.055 0.000 1.204 325 N HN -0.124 nan 8.380 nan 0.000 0.398 326 I N 1.353 121.858 120.570 -0.109 0.000 2.248 326 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 326 I C 1.611 177.559 176.117 -0.281 0.000 1.107 326 I CA 1.358 62.570 61.300 -0.147 0.000 1.373 326 I CB -0.173 37.779 38.000 -0.079 0.000 1.055 326 I HN 0.448 nan 8.210 nan 0.000 0.418 327 c N -0.526 117.922 118.600 -0.254 0.000 2.491 327 c HA 0.027 4.597 4.570 -0.000 0.000 0.277 327 c C 2.125 175.931 174.090 -0.473 0.000 1.455 327 c CA 1.129 57.231 56.329 -0.378 0.000 1.758 327 c CB -1.783 40.620 42.510 -0.177 0.000 1.745 327 c HN 0.616 nan 8.230 nan 0.000 0.558 328 T N -0.074 114.274 114.554 -0.343 0.000 3.231 328 T HA 0.220 4.570 4.350 -0.000 0.000 0.292 328 T C 0.336 174.901 174.700 -0.224 0.000 1.001 328 T CA -0.261 61.680 62.100 -0.266 0.000 0.920 328 T CB -0.328 68.466 68.868 -0.124 0.000 1.140 328 T HN 0.486 nan 8.240 nan 0.000 0.525 329 M N 2.562 121.991 119.600 -0.285 0.000 2.226 329 M HA 0.000 4.480 4.480 -0.000 0.000 0.377 329 M C 0.141 176.367 176.300 -0.124 0.000 1.309 329 M CA 0.743 55.928 55.300 -0.192 0.000 0.874 329 M CB 0.336 32.804 32.600 -0.219 0.000 1.902 329 M HN 0.017 nan 8.290 nan 0.000 0.485 330 K N 4.237 124.605 120.400 -0.053 0.000 2.379 330 K HA 0.116 4.436 4.320 -0.000 0.000 0.284 330 K C -0.333 176.285 176.600 0.030 0.000 1.044 330 K CA -0.305 55.990 56.287 0.013 0.000 0.974 330 K CB 0.503 33.012 32.500 0.014 0.000 0.962 330 K HN 0.684 nan 8.250 nan 0.000 0.474 331 L N 5.578 126.853 121.223 0.088 0.000 3.122 331 L HA 0.173 4.513 4.340 -0.000 0.000 0.274 331 L C -0.825 176.183 176.870 0.230 0.000 1.222 331 L CA 0.084 54.979 54.840 0.093 0.000 1.028 331 L CB -0.188 41.815 42.059 -0.093 0.000 1.386 331 L HN 0.694 nan 8.230 nan 0.000 0.578 332 H N -1.490 117.623 119.070 0.072 0.000 3.112 332 H HA 0.666 5.222 4.556 -0.000 0.000 0.347 332 H C -1.652 173.716 175.328 0.066 0.000 1.188 332 H CA -0.640 55.458 56.048 0.082 0.000 1.240 332 H CB 1.912 31.745 29.762 0.119 0.000 1.920 332 H HN -0.035 nan 8.280 nan 0.000 0.535 333 E N 2.459 122.594 120.200 -0.108 0.000 2.352 333 E HA 0.253 4.603 4.350 -0.000 0.000 0.280 333 E C -1.549 175.000 176.600 -0.086 0.000 0.930 333 E CA -0.602 55.698 56.400 -0.166 0.000 0.765 333 E CB 2.012 31.671 29.700 -0.068 0.000 1.219 333 E HN 0.732 nan 8.360 nan 0.000 0.434 334 N N 3.442 122.085 118.700 -0.095 0.000 2.520 334 N HA 0.236 4.976 4.740 -0.000 0.000 0.273 334 N C 0.189 175.655 175.510 -0.074 0.000 1.155 334 N CA 0.190 53.204 53.050 -0.061 0.000 0.967 334 N CB 0.644 39.098 38.487 -0.055 0.000 1.092 334 N HN 0.680 nan 8.380 nan 0.000 0.457 335 I N 2.504 123.011 120.570 -0.105 0.000 4.312 335 I HA 0.263 4.433 4.170 -0.000 0.000 0.324 335 I C 1.318 177.283 176.117 -0.254 0.000 1.298 335 I CA 0.141 61.370 61.300 -0.118 0.000 1.231 335 I CB 0.138 38.102 38.000 -0.060 0.000 1.152 335 I HN 0.692 nan 8.210 nan 0.000 0.421 336 A N 0.735 123.305 122.820 -0.416 0.000 1.975 336 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 336 A C 1.325 178.734 177.584 -0.291 0.000 1.170 336 A CA 0.103 51.755 52.037 -0.643 0.000 0.656 336 A CB -0.221 18.348 19.000 -0.718 0.000 0.821 336 A HN 0.258 nan 8.150 nan 0.000 0.449 337 R N 0.262 120.663 120.500 -0.165 0.000 2.523 337 R HA 0.014 4.354 4.340 -0.000 0.000 0.281 337 R C -1.709 174.550 176.300 -0.068 0.000 0.969 337 R CA -0.736 55.311 56.100 -0.088 0.000 1.093 337 R CB 0.217 30.478 30.300 -0.065 0.000 0.917 337 R HN 0.180 nan 8.270 nan 0.000 0.408 338 P HA -0.233 nan 4.420 nan 0.000 0.216 338 P C 1.120 178.361 177.300 -0.099 0.000 1.154 338 P CA 1.666 64.737 63.100 -0.049 0.000 0.865 338 P CB 0.148 31.829 31.700 -0.033 0.000 0.789 339 S N -1.063 114.583 115.700 -0.091 0.000 2.469 339 S HA -0.104 4.366 4.470 -0.000 0.000 0.238 339 S C 1.663 176.211 174.600 -0.087 0.000 0.998 339 S CA 0.663 58.803 58.200 -0.100 0.000 0.957 339 S CB -0.810 62.346 63.200 -0.074 0.000 0.764 339 S HN 0.058 nan 8.310 nan 0.000 0.514 340 R N 1.956 122.414 120.500 -0.070 0.000 2.323 340 R HA 0.363 4.703 4.340 -0.000 0.000 0.198 340 R C 0.826 177.100 176.300 -0.045 0.000 0.988 340 R CA 0.518 56.584 56.100 -0.056 0.000 1.041 340 R CB -1.342 28.928 30.300 -0.050 0.000 0.926 340 R HN 0.553 nan 8.270 nan 0.000 0.476 341 A N 1.619 124.405 122.820 -0.056 0.000 2.511 341 A HA 0.015 4.335 4.320 -0.000 0.000 0.242 341 A C 0.515 178.084 177.584 -0.025 0.000 1.069 341 A CA 0.009 52.033 52.037 -0.023 0.000 0.763 341 A CB 0.314 19.291 19.000 -0.038 0.000 1.001 341 A HN 0.093 nan 8.150 nan 0.000 0.498 342 D N 0.694 121.103 120.400 0.014 0.000 2.324 342 D HA 0.155 4.794 4.640 -0.000 0.000 0.212 342 D C -0.518 175.665 176.300 -0.196 0.000 0.984 342 D CA 1.178 55.132 54.000 -0.077 0.000 0.885 342 D CB 0.185 40.966 40.800 -0.032 0.000 0.996 342 D HN 0.499 nan 8.370 nan 0.000 0.505 343 F N -0.176 119.745 119.950 -0.048 0.000 2.551 343 F HA 0.452 4.979 4.527 -0.000 0.000 0.316 343 F C -0.631 175.195 175.800 0.042 0.000 1.089 343 F CA -1.085 56.883 58.000 -0.053 0.000 0.915 343 F CB 1.958 40.856 39.000 -0.170 0.000 1.186 343 F HN -0.277 nan 8.300 nan 0.000 0.456 344 Y N 2.500 122.843 120.300 0.071 0.000 2.480 344 Y HA 0.402 4.952 4.550 -0.000 0.000 0.329 344 Y C -1.702 174.212 175.900 0.023 0.000 1.127 344 Y CA -0.901 57.212 58.100 0.021 0.000 1.037 344 Y CB 1.533 40.005 38.460 0.020 0.000 1.320 344 Y HN 0.609 nan 8.280 nan 0.000 0.446 345 N N 7.544 125.872 118.700 -0.620 0.000 2.571 345 N HA 0.308 5.048 4.740 -0.000 0.000 0.286 345 N C -2.596 172.488 175.510 -0.709 0.000 1.138 345 N CA -2.218 50.533 53.050 -0.499 0.000 0.859 345 N CB 2.587 40.933 38.487 -0.236 0.000 1.414 345 N HN 0.388 nan 8.380 nan 0.000 0.529 346 P HA -0.103 nan 4.420 nan 0.000 0.223 346 P C 0.306 177.567 177.300 -0.065 0.000 1.144 346 P CA 1.173 64.038 63.100 -0.391 0.000 0.783 346 P CB 0.548 32.163 31.700 -0.142 0.000 0.771 347 K N -1.228 119.140 120.400 -0.053 0.000 2.361 347 K HA 0.274 4.594 4.320 -0.000 0.000 0.194 347 K C 1.832 178.508 176.600 0.127 0.000 1.032 347 K CA 0.598 56.905 56.287 0.034 0.000 1.048 347 K CB 0.359 32.855 32.500 -0.007 0.000 0.842 347 K HN 0.042 nan 8.250 nan 0.000 0.526 348 A N 0.864 123.728 122.820 0.073 0.000 2.026 348 A HA 0.495 4.815 4.320 -0.000 0.000 0.198 348 A C 0.819 178.257 177.584 -0.243 0.000 1.390 348 A CA 0.783 52.813 52.037 -0.012 0.000 0.915 348 A CB 0.746 19.695 19.000 -0.086 0.000 0.974 348 A HN 0.296 nan 8.150 nan 0.000 0.477 349 G N -0.618 107.915 108.800 -0.445 0.000 2.350 349 G HA2 0.455 4.415 3.960 -0.000 0.000 0.276 349 G HA3 0.455 4.415 3.960 -0.000 0.000 0.276 349 G C -1.420 173.284 174.900 -0.326 0.000 1.313 349 G CA -0.328 44.286 45.100 -0.809 0.000 0.903 349 G HN 0.955 nan 8.290 nan 0.000 0.490 350 R N -1.219 119.129 120.500 -0.254 0.000 2.707 350 R HA 0.834 5.174 4.340 -0.000 0.000 0.272 350 R C -1.463 174.746 176.300 -0.151 0.000 1.011 350 R CA -1.017 55.068 56.100 -0.025 0.000 0.893 350 R CB 1.847 32.238 30.300 0.152 0.000 1.233 350 R HN 0.541 nan 8.270 nan 0.000 0.464 351 I N 0.930 121.454 120.570 -0.077 0.000 2.582 351 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 351 I C -0.759 175.389 176.117 0.053 0.000 1.066 351 I CA -0.787 60.437 61.300 -0.127 0.000 1.053 351 I CB 2.730 40.526 38.000 -0.341 0.000 1.241 351 I HN 0.661 nan 8.210 nan 0.000 0.421 352 S N 2.544 118.268 115.700 0.040 0.000 2.521 352 S HA 0.635 5.105 4.470 -0.000 0.000 0.295 352 S C -0.646 173.992 174.600 0.062 0.000 1.098 352 S CA -0.654 57.585 58.200 0.065 0.000 0.999 352 S CB 2.139 65.373 63.200 0.057 0.000 1.034 352 S HN 0.554 nan 8.310 nan 0.000 0.483 353 T N 2.781 117.375 114.554 0.066 0.000 2.829 353 T HA 0.600 4.950 4.350 -0.000 0.000 0.280 353 T C -1.149 173.580 174.700 0.048 0.000 0.999 353 T CA -0.472 61.666 62.100 0.063 0.000 0.983 353 T CB 1.153 70.071 68.868 0.083 0.000 0.968 353 T HN 0.387 nan 8.240 nan 0.000 0.446 354 L N 4.763 126.017 121.223 0.053 0.000 2.343 354 L HA 0.696 5.036 4.340 -0.000 0.000 0.278 354 L C -0.710 176.203 176.870 0.071 0.000 0.996 354 L CA -0.261 54.610 54.840 0.052 0.000 0.831 354 L CB 0.765 42.856 42.059 0.053 0.000 1.232 354 L HN 0.832 nan 8.230 nan 0.000 0.413 355 N N 1.036 119.778 118.700 0.071 0.000 3.506 355 N HA 0.357 5.097 4.740 -0.000 0.000 0.331 355 N C 0.292 175.859 175.510 0.094 0.000 1.631 355 N CA -0.130 52.977 53.050 0.095 0.000 0.786 355 N CB 0.203 38.747 38.487 0.094 0.000 2.023 355 N HN 0.247 nan 8.380 nan 0.000 0.621 356 S N -0.947 114.833 115.700 0.134 0.000 2.481 356 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 356 S C 1.407 176.040 174.600 0.055 0.000 0.996 356 S CA 0.253 58.511 58.200 0.097 0.000 0.942 356 S CB -0.684 62.610 63.200 0.156 0.000 0.768 356 S HN 0.473 nan 8.310 nan 0.000 0.520 357 L N 0.892 122.151 121.223 0.061 0.000 2.478 357 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 357 L C 2.074 178.953 176.870 0.015 0.000 1.140 357 L CA 0.974 55.833 54.840 0.032 0.000 0.842 357 L CB -0.722 41.356 42.059 0.032 0.000 0.953 357 L HN 0.406 nan 8.230 nan 0.000 0.452 358 T N -0.880 113.685 114.554 0.018 0.000 3.056 358 T HA 0.153 4.503 4.350 -0.000 0.000 0.241 358 T C 0.285 174.985 174.700 0.001 0.000 1.006 358 T CA 0.164 62.267 62.100 0.006 0.000 1.115 358 T CB 0.482 69.355 68.868 0.009 0.000 0.939 358 T HN -0.081 nan 8.240 nan 0.000 0.462 359 L N 3.997 125.227 121.223 0.011 0.000 2.401 359 L HA 0.435 4.775 4.340 -0.000 0.000 0.263 359 L C -2.104 174.757 176.870 -0.014 0.000 1.004 359 L CA -2.317 52.526 54.840 0.004 0.000 0.881 359 L CB 1.705 43.781 42.059 0.028 0.000 1.219 359 L HN -0.209 nan 8.230 nan 0.000 0.441 360 P HA -0.135 nan 4.420 nan 0.000 0.220 360 P C 1.159 178.372 177.300 -0.145 0.000 1.148 360 P CA 1.252 64.306 63.100 -0.076 0.000 0.803 360 P CB 0.356 32.012 31.700 -0.073 0.000 0.782 361 A N 0.381 123.100 122.820 -0.168 0.000 2.019 361 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 361 A C 2.325 179.579 177.584 -0.550 0.000 1.164 361 A CA 1.020 52.847 52.037 -0.351 0.000 0.644 361 A CB -1.573 17.301 19.000 -0.211 0.000 0.805 361 A HN 0.149 nan 8.150 nan 0.000 0.449 362 L N -1.229 119.863 121.223 -0.217 0.000 2.261 362 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 362 L C 2.688 179.493 176.870 -0.109 0.000 1.114 362 L CA 1.331 56.122 54.840 -0.081 0.000 0.777 362 L CB -0.455 41.649 42.059 0.075 0.000 0.910 362 L HN 0.448 nan 8.230 nan 0.000 0.440 363 R N -0.271 120.099 120.500 -0.216 0.000 2.096 363 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 363 R C 2.278 178.411 176.300 -0.277 0.000 1.127 363 R CA 1.172 57.047 56.100 -0.375 0.000 0.968 363 R CB 0.096 30.158 30.300 -0.396 0.000 0.861 363 R HN 0.344 nan 8.270 nan 0.000 0.440 364 Q N -0.880 118.702 119.800 -0.363 0.000 2.311 364 Q HA -0.063 4.277 4.340 -0.000 0.000 0.203 364 Q C 1.222 177.180 176.000 -0.070 0.000 0.954 364 Q CA 0.964 56.616 55.803 -0.250 0.000 0.885 364 Q CB 0.249 28.731 28.738 -0.427 0.000 0.963 364 Q HN 0.328 nan 8.270 nan 0.000 0.471 365 F N -0.575 119.390 119.950 0.024 0.000 2.749 365 F HA 0.337 4.864 4.527 -0.000 0.000 0.300 365 F C 1.427 177.236 175.800 0.014 0.000 1.103 365 F CA -0.056 57.917 58.000 -0.044 0.000 1.342 365 F CB -0.305 38.671 39.000 -0.040 0.000 1.098 365 F HN 0.089 nan 8.300 nan 0.000 0.586 366 G N 1.412 110.361 108.800 0.248 0.000 2.249 366 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.273 366 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.273 366 G C -0.332 174.668 174.900 0.167 0.000 1.036 366 G CA 0.075 45.308 45.100 0.221 0.000 0.824 366 G HN 0.135 nan 8.290 nan 0.000 0.504 367 L N -0.349 120.988 121.223 0.190 0.000 2.350 367 L HA 0.955 5.295 4.340 -0.000 0.000 0.260 367 L C 0.484 177.462 176.870 0.180 0.000 1.015 367 L CA -0.514 54.431 54.840 0.175 0.000 0.821 367 L CB 1.653 43.814 42.059 0.171 0.000 1.370 367 L HN 0.845 nan 8.230 nan 0.000 0.416 368 S N -0.080 115.724 115.700 0.175 0.000 2.688 368 S HA 1.024 5.494 4.470 -0.000 0.000 0.275 368 S C -1.182 173.510 174.600 0.152 0.000 1.175 368 S CA -0.081 58.211 58.200 0.152 0.000 0.818 368 S CB 2.464 65.743 63.200 0.131 0.000 1.157 368 S HN 1.265 nan 8.310 nan 0.000 0.482 369 A N 0.086 122.971 122.820 0.108 0.000 2.601 369 A HA 0.789 5.109 4.320 -0.000 0.000 0.291 369 A C -1.725 175.879 177.584 0.034 0.000 1.075 369 A CA -0.768 51.306 52.037 0.061 0.000 0.671 369 A CB 1.373 20.392 19.000 0.032 0.000 1.277 369 A HN 0.815 nan 8.150 nan 0.000 0.417 370 Q N -0.672 119.125 119.800 -0.006 0.000 2.451 370 Q HA 0.579 4.919 4.340 -0.000 0.000 0.281 370 Q C -2.044 173.940 176.000 -0.027 0.000 1.099 370 Q CA -0.626 55.175 55.803 -0.002 0.000 0.806 370 Q CB 2.993 31.722 28.738 -0.015 0.000 1.419 370 Q HN 0.711 nan 8.270 nan 0.000 0.427 371 Y N 0.922 121.127 120.300 -0.158 0.000 2.338 371 Y HA 0.551 5.100 4.550 -0.000 0.000 0.333 371 Y C -1.311 174.412 175.900 -0.295 0.000 0.968 371 Y CA -0.757 57.220 58.100 -0.205 0.000 1.123 371 Y CB 1.418 39.797 38.460 -0.135 0.000 1.165 371 Y HN 0.451 nan 8.280 nan 0.000 0.452 372 V N 6.142 125.473 119.914 -0.972 0.000 2.914 372 V HA 0.880 5.000 4.120 -0.000 0.000 0.314 372 V C -2.014 173.610 176.094 -0.784 0.000 1.084 372 V CA -0.610 61.226 62.300 -0.773 0.000 0.963 372 V CB 2.016 33.371 31.823 -0.779 0.000 1.025 372 V HN 0.537 nan 8.190 nan 0.000 0.432 373 V N 6.322 125.967 119.914 -0.450 0.000 2.482 373 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 373 V C -0.440 175.423 176.094 -0.386 0.000 1.026 373 V CA -0.379 61.736 62.300 -0.308 0.000 0.856 373 V CB 1.455 33.195 31.823 -0.138 0.000 1.001 373 V HN 0.844 nan 8.190 nan 0.000 0.424 374 L N 5.036 126.103 121.223 -0.260 0.000 2.313 374 L HA 0.598 4.938 4.340 -0.000 0.000 0.283 374 L C -0.711 176.083 176.870 -0.127 0.000 1.013 374 L CA -0.694 54.003 54.840 -0.237 0.000 0.816 374 L CB 1.680 43.708 42.059 -0.051 0.000 1.236 374 L HN 0.501 nan 8.230 nan 0.000 0.419 375 Y N 1.507 121.811 120.300 0.007 0.000 2.281 375 Y HA 0.229 4.779 4.550 -0.000 0.000 0.337 375 Y C 0.560 176.471 175.900 0.018 0.000 1.304 375 Y CA -1.145 56.964 58.100 0.015 0.000 1.465 375 Y CB 0.349 38.811 38.460 0.004 0.000 1.350 375 Y HN 0.390 nan 8.280 nan 0.000 0.575 376 R N 2.370 122.995 120.500 0.207 0.000 2.501 376 R HA -0.035 4.305 4.340 -0.000 0.000 0.319 376 R C 0.221 176.578 176.300 0.094 0.000 0.913 376 R CA 0.532 56.701 56.100 0.115 0.000 1.104 376 R CB -1.025 29.326 30.300 0.085 0.000 0.901 376 R HN 0.597 nan 8.270 nan 0.000 0.407 377 N N -0.608 118.136 118.700 0.074 0.000 2.878 377 N HA -0.133 4.607 4.740 -0.000 0.000 0.247 377 N C 0.061 175.604 175.510 0.055 0.000 1.021 377 N CA 1.527 54.611 53.050 0.058 0.000 0.873 377 N CB -1.206 37.310 38.487 0.048 0.000 1.128 377 N HN 0.773 nan 8.380 nan 0.000 0.571 378 G N 0.488 109.322 108.800 0.058 0.000 2.390 378 G HA2 0.563 4.523 3.960 -0.000 0.000 0.270 378 G HA3 0.563 4.523 3.960 -0.000 0.000 0.270 378 G C 0.313 175.233 174.900 0.033 0.000 1.211 378 G CA -0.346 44.772 45.100 0.029 0.000 0.842 378 G HN 0.249 nan 8.290 nan 0.000 0.519 379 I N 1.469 122.059 120.570 0.033 0.000 2.392 379 I HA 0.179 4.349 4.170 -0.000 0.000 0.295 379 I C -0.961 175.215 176.117 0.098 0.000 0.985 379 I CA -0.930 60.413 61.300 0.071 0.000 1.221 379 I CB 1.989 40.029 38.000 0.066 0.000 1.366 379 I HN 0.387 nan 8.210 nan 0.000 0.467 380 Y N 6.648 126.938 120.300 -0.017 0.000 2.721 380 Y HA 0.295 4.845 4.550 -0.000 0.000 0.328 380 Y C 0.422 176.352 175.900 0.050 0.000 1.003 380 Y CA -1.805 56.258 58.100 -0.061 0.000 1.275 380 Y CB 0.443 38.884 38.460 -0.032 0.000 1.097 380 Y HN 0.663 nan 8.280 nan 0.000 0.514 381 S N 5.443 121.297 115.700 0.258 0.000 2.572 381 S HA 0.256 4.726 4.470 -0.000 0.000 0.267 381 S C -2.691 172.041 174.600 0.220 0.000 1.361 381 S CA -1.063 57.247 58.200 0.184 0.000 1.009 381 S CB 0.228 63.515 63.200 0.144 0.000 0.888 381 S HN 0.519 nan 8.310 nan 0.000 0.553 382 P HA 0.029 nan 4.420 nan 0.000 0.257 382 P C -0.289 177.147 177.300 0.225 0.000 1.162 382 P CA 0.987 64.153 63.100 0.111 0.000 0.762 382 P CB -0.189 31.563 31.700 0.086 0.000 0.753 383 H N 1.868 120.980 119.070 0.071 0.000 3.008 383 H HA 0.642 5.198 4.556 -0.000 0.000 0.354 383 H C -1.294 174.183 175.328 0.248 0.000 1.252 383 H CA -1.036 55.080 56.048 0.113 0.000 1.117 383 H CB 1.039 30.746 29.762 -0.092 0.000 1.857 383 H HN 0.557 nan 8.280 nan 0.000 0.547 384 W N 1.006 122.340 121.300 0.056 0.000 3.062 384 W HA 0.599 5.259 4.660 -0.000 0.000 0.336 384 W C -1.914 174.646 176.519 0.069 0.000 1.224 384 W CA -0.947 56.408 57.345 0.017 0.000 1.159 384 W CB 0.943 30.410 29.460 0.012 0.000 1.454 384 W HN 0.507 nan 8.180 nan 0.000 0.569 385 N N 1.701 120.533 118.700 0.219 0.000 2.419 385 N HA 0.311 5.051 4.740 -0.000 0.000 0.277 385 N C 0.377 175.987 175.510 0.166 0.000 1.006 385 N CA -0.627 52.471 53.050 0.080 0.000 0.923 385 N CB 1.852 40.391 38.487 0.086 0.000 1.140 385 N HN 0.389 nan 8.380 nan 0.000 0.488 386 L N 2.142 123.379 121.223 0.024 0.000 2.217 386 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 386 L C 0.965 177.880 176.870 0.075 0.000 1.107 386 L CA 1.345 56.249 54.840 0.107 0.000 0.783 386 L CB -0.411 41.644 42.059 -0.007 0.000 0.919 386 L HN 0.768 nan 8.230 nan 0.000 0.442 387 N N -2.280 116.415 118.700 -0.009 0.000 2.301 387 N HA 0.477 5.217 4.740 -0.000 0.000 0.247 387 N C -0.195 175.315 175.510 0.001 0.000 1.347 387 N CA 0.140 53.164 53.050 -0.044 0.000 0.844 387 N CB 0.908 39.263 38.487 -0.221 0.000 1.332 387 N HN 0.031 nan 8.380 nan 0.000 0.494 388 A N 0.304 123.149 122.820 0.041 0.000 2.574 388 A HA 0.493 4.813 4.320 -0.000 0.000 0.297 388 A C -1.468 176.152 177.584 0.060 0.000 1.062 388 A CA -0.800 51.285 52.037 0.079 0.000 0.686 388 A CB 1.175 20.234 19.000 0.099 0.000 1.285 388 A HN 0.168 nan 8.150 nan 0.000 0.403 389 N N 0.644 119.371 118.700 0.045 0.000 2.513 389 N HA 0.611 5.351 4.740 -0.000 0.000 0.274 389 N C -0.265 175.257 175.510 0.019 0.000 1.189 389 N CA 0.208 53.258 53.050 -0.000 0.000 0.975 389 N CB 1.339 39.811 38.487 -0.025 0.000 1.157 389 N HN 0.591 nan 8.380 nan 0.000 0.465 390 S N -0.187 115.510 115.700 -0.005 0.000 2.599 390 S HA 0.650 5.120 4.470 -0.000 0.000 0.294 390 S C -0.734 173.867 174.600 0.002 0.000 1.094 390 S CA -0.722 57.494 58.200 0.027 0.000 0.931 390 S CB 2.014 65.230 63.200 0.028 0.000 1.093 390 S HN 0.205 nan 8.310 nan 0.000 0.488 391 V N 2.535 122.487 119.914 0.063 0.000 2.488 391 V HA 0.412 4.532 4.120 -0.000 0.000 0.293 391 V C -0.803 175.358 176.094 0.111 0.000 1.027 391 V CA -0.432 61.903 62.300 0.057 0.000 0.862 391 V CB 1.258 33.133 31.823 0.086 0.000 1.008 391 V HN 0.794 nan 8.190 nan 0.000 0.428 392 I N 4.902 125.468 120.570 -0.007 0.000 2.365 392 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 392 I C -0.920 175.213 176.117 0.025 0.000 1.004 392 I CA -0.511 60.766 61.300 -0.039 0.000 1.311 392 I CB 1.107 38.951 38.000 -0.260 0.000 1.401 392 I HN 0.657 nan 8.210 nan 0.000 0.491 393 Y N 6.456 126.738 120.300 -0.031 0.000 2.329 393 Y HA 0.451 5.001 4.550 -0.000 0.000 0.328 393 Y C -0.848 175.076 175.900 0.040 0.000 0.992 393 Y CA -0.812 57.293 58.100 0.008 0.000 1.151 393 Y CB 1.341 39.854 38.460 0.089 0.000 1.150 393 Y HN 0.220 nan 8.280 nan 0.000 0.450 394 V N 6.407 125.976 119.914 -0.575 0.000 2.455 394 V HA 0.078 4.198 4.120 -0.000 0.000 0.273 394 V C 0.985 176.870 176.094 -0.348 0.000 1.045 394 V CA 0.904 63.011 62.300 -0.321 0.000 0.976 394 V CB 0.932 32.614 31.823 -0.236 0.000 0.993 394 V HN 0.993 nan 8.190 nan 0.000 0.475 395 T N 2.281 116.820 114.554 -0.024 0.000 3.051 395 T HA 0.210 4.560 4.350 -0.000 0.000 0.255 395 T C 0.758 175.521 174.700 0.105 0.000 1.085 395 T CA 0.161 62.339 62.100 0.130 0.000 1.109 395 T CB 0.426 69.459 68.868 0.275 0.000 0.921 395 T HN 0.463 nan 8.240 nan 0.000 0.488 396 R N -0.227 120.314 120.500 0.068 0.000 2.634 396 R HA 0.486 4.826 4.340 -0.000 0.000 0.263 396 R C 0.073 176.407 176.300 0.056 0.000 1.060 396 R CA 0.442 56.586 56.100 0.074 0.000 0.898 396 R CB 1.526 31.888 30.300 0.104 0.000 1.253 396 R HN 0.496 nan 8.270 nan 0.000 0.461 397 G N 2.681 111.512 108.800 0.052 0.000 2.593 397 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.237 397 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.237 397 G C -1.019 173.901 174.900 0.033 0.000 1.312 397 G CA 0.439 45.568 45.100 0.049 0.000 0.896 397 G HN 0.745 nan 8.290 nan 0.000 0.574 398 K N -0.827 119.596 120.400 0.038 0.000 2.625 398 K HA 0.639 4.959 4.320 -0.000 0.000 0.284 398 K C -0.315 176.308 176.600 0.039 0.000 0.984 398 K CA 0.023 56.328 56.287 0.029 0.000 0.865 398 K CB 1.288 33.805 32.500 0.029 0.000 1.468 398 K HN 2.377 nan 8.250 nan 0.000 0.407 399 G N 1.557 110.377 108.800 0.034 0.000 2.506 399 G HA2 0.366 4.326 3.960 -0.000 0.000 0.292 399 G HA3 0.366 4.326 3.960 -0.000 0.000 0.292 399 G C -2.024 172.904 174.900 0.046 0.000 1.425 399 G CA -0.997 44.129 45.100 0.043 0.000 0.788 399 G HN 0.535 nan 8.290 nan 0.000 0.490 400 R N -0.630 119.900 120.500 0.050 0.000 2.390 400 R HA 0.639 4.979 4.340 -0.000 0.000 0.291 400 R C -0.588 175.756 176.300 0.073 0.000 1.070 400 R CA -0.040 56.096 56.100 0.060 0.000 1.014 400 R CB 1.144 31.468 30.300 0.041 0.000 1.007 400 R HN 0.378 nan 8.270 nan 0.000 0.466 401 V N 5.010 125.005 119.914 0.134 0.000 2.789 401 V HA 0.553 4.673 4.120 -0.000 0.000 0.311 401 V C -0.635 175.589 176.094 0.216 0.000 1.073 401 V CA -0.917 61.459 62.300 0.126 0.000 0.921 401 V CB 2.253 34.113 31.823 0.061 0.000 1.009 401 V HN 0.756 nan 8.190 nan 0.000 0.426 402 R N 2.523 123.097 120.500 0.125 0.000 2.483 402 R HA 0.714 5.054 4.340 -0.000 0.000 0.303 402 R C -1.465 174.887 176.300 0.088 0.000 0.987 402 R CA -0.467 55.703 56.100 0.117 0.000 0.881 402 R CB 2.270 32.596 30.300 0.043 0.000 1.177 402 R HN 0.510 nan 8.270 nan 0.000 0.451 403 V N 3.846 123.847 119.914 0.145 0.000 2.435 403 V HA 0.468 4.588 4.120 -0.000 0.000 0.290 403 V C -0.168 175.984 176.094 0.096 0.000 1.030 403 V CA -0.773 61.593 62.300 0.110 0.000 0.881 403 V CB 1.927 33.846 31.823 0.159 0.000 0.983 403 V HN 0.421 nan 8.190 nan 0.000 0.445 404 V N 4.891 124.822 119.914 0.030 0.000 2.555 404 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 404 V C 0.016 175.965 176.094 -0.241 0.000 1.038 404 V CA -0.798 61.462 62.300 -0.066 0.000 0.887 404 V CB 1.938 33.715 31.823 -0.077 0.000 0.991 404 V HN 1.066 nan 8.190 nan 0.000 0.434 405 N N 2.881 121.348 118.700 -0.388 0.000 2.514 405 N HA 0.135 4.875 4.740 -0.000 0.000 0.299 405 N C 1.273 176.456 175.510 -0.545 0.000 1.292 405 N CA -0.013 52.531 53.050 -0.843 0.000 0.963 405 N CB 0.019 38.044 38.487 -0.770 0.000 1.124 405 N HN 0.717 nan 8.380 nan 0.000 0.580 406 C N -3.141 115.853 119.300 -0.511 0.000 2.500 406 C HA 0.172 4.631 4.460 -0.000 0.000 0.273 406 C C 1.581 176.449 174.990 -0.202 0.000 1.428 406 C CA -0.122 58.713 59.018 -0.305 0.000 1.766 406 C CB -1.267 26.328 27.740 -0.241 0.000 1.817 406 C HN 0.603 nan 8.230 nan 0.000 0.543 407 Q N 0.756 120.443 119.800 -0.188 0.000 2.360 407 Q HA 0.215 4.555 4.340 -0.000 0.000 0.202 407 Q C 1.720 177.654 176.000 -0.109 0.000 0.915 407 Q CA 0.708 56.438 55.803 -0.122 0.000 0.943 407 Q CB 0.301 28.981 28.738 -0.097 0.000 1.064 407 Q HN 0.905 nan 8.270 nan 0.000 0.511 408 G N 1.708 110.427 108.800 -0.134 0.000 2.141 408 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.242 408 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.242 408 G C -0.193 174.658 174.900 -0.082 0.000 0.982 408 G CA -0.166 44.873 45.100 -0.101 0.000 0.662 408 G HN 0.216 nan 8.290 nan 0.000 0.527 409 N N 0.648 119.293 118.700 -0.091 0.000 2.430 409 N HA 0.606 5.345 4.740 -0.000 0.000 0.292 409 N C 0.346 175.828 175.510 -0.047 0.000 1.051 409 N CA 0.377 53.391 53.050 -0.059 0.000 0.917 409 N CB 1.624 40.083 38.487 -0.047 0.000 1.164 409 N HN 0.625 nan 8.380 nan 0.000 0.484 410 A N 1.480 124.285 122.820 -0.024 0.000 2.475 410 A HA 0.169 4.489 4.320 -0.000 0.000 0.293 410 A C 1.358 178.960 177.584 0.030 0.000 1.252 410 A CA -0.500 51.537 52.037 0.001 0.000 0.920 410 A CB -0.580 18.413 19.000 -0.011 0.000 1.125 410 A HN 0.599 nan 8.150 nan 0.000 0.528 411 V N 0.691 120.656 119.914 0.085 0.000 3.623 411 V HA 0.418 4.537 4.120 -0.000 0.000 0.271 411 V C 0.213 176.422 176.094 0.192 0.000 1.248 411 V CA 0.440 62.818 62.300 0.130 0.000 1.156 411 V CB -1.324 30.615 31.823 0.193 0.000 0.870 411 V HN 0.670 nan 8.190 nan 0.000 0.453 412 F N 0.793 120.757 119.950 0.024 0.000 2.604 412 F HA 0.683 5.210 4.527 -0.000 0.000 0.316 412 F C -1.693 174.102 175.800 -0.008 0.000 1.136 412 F CA -0.705 57.298 58.000 0.006 0.000 0.989 412 F CB 2.069 41.065 39.000 -0.006 0.000 1.258 412 F HN 0.017 nan 8.300 nan 0.000 0.451 413 D N 4.116 124.158 120.400 -0.597 0.000 2.351 413 D HA 0.555 5.195 4.640 -0.000 0.000 0.235 413 D C -0.559 175.425 176.300 -0.527 0.000 1.331 413 D CA 0.376 54.163 54.000 -0.354 0.000 0.959 413 D CB 0.957 41.651 40.800 -0.176 0.000 1.432 413 D HN 0.999 nan 8.370 nan 0.000 0.544 414 G N 1.619 110.135 108.800 -0.473 0.000 2.348 414 G HA2 0.333 4.293 3.960 -0.000 0.000 0.296 414 G HA3 0.333 4.293 3.960 -0.000 0.000 0.296 414 G C -1.511 173.394 174.900 0.008 0.000 1.258 414 G CA -0.802 44.122 45.100 -0.294 0.000 0.868 414 G HN 0.131 nan 8.290 nan 0.000 0.488 415 E N 0.507 120.733 120.200 0.044 0.000 2.174 415 E HA 0.474 4.824 4.350 -0.000 0.000 0.282 415 E C -0.682 176.020 176.600 0.170 0.000 0.992 415 E CA -0.475 55.986 56.400 0.102 0.000 0.803 415 E CB 2.561 32.292 29.700 0.050 0.000 1.090 415 E HN 0.319 nan 8.360 nan 0.000 0.396 416 L N 3.490 124.791 121.223 0.129 0.000 2.322 416 L HA 0.496 4.836 4.340 -0.000 0.000 0.279 416 L C 0.236 177.105 176.870 -0.001 0.000 1.036 416 L CA -0.597 54.271 54.840 0.046 0.000 0.807 416 L CB 1.033 43.033 42.059 -0.098 0.000 1.226 416 L HN 0.582 nan 8.230 nan 0.000 0.433 417 R N 2.002 122.491 120.500 -0.019 0.000 2.817 417 R HA 0.482 4.822 4.340 -0.000 0.000 0.268 417 R C -0.721 175.544 176.300 -0.058 0.000 1.027 417 R CA -1.109 54.979 56.100 -0.020 0.000 0.928 417 R CB 0.979 31.285 30.300 0.010 0.000 1.228 417 R HN 0.409 nan 8.270 nan 0.000 0.469 418 R N 0.241 120.714 120.500 -0.046 0.000 2.500 418 R HA 0.015 4.355 4.340 -0.000 0.000 0.281 418 R C 0.355 176.616 176.300 -0.065 0.000 0.953 418 R CA 2.428 58.486 56.100 -0.070 0.000 1.108 418 R CB -0.173 30.127 30.300 0.000 0.000 0.901 418 R HN 0.997 nan 8.270 nan 0.000 0.410 419 G N 2.678 111.378 108.800 -0.166 0.000 2.213 419 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 419 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 419 G C -0.117 174.829 174.900 0.077 0.000 0.991 419 G CA 0.088 45.204 45.100 0.027 0.000 0.629 419 G HN 0.616 nan 8.290 nan 0.000 0.517 420 Q N 0.335 120.090 119.800 -0.075 0.000 2.230 420 Q HA 0.677 5.017 4.340 -0.000 0.000 0.248 420 Q C -0.431 175.548 176.000 -0.036 0.000 0.915 420 Q CA -0.611 55.214 55.803 0.036 0.000 0.900 420 Q CB 2.221 30.955 28.738 -0.006 0.000 1.229 420 Q HN 0.228 nan 8.270 nan 0.000 0.439 421 L N 3.528 124.824 121.223 0.121 0.000 2.317 421 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 421 L C -1.611 175.198 176.870 -0.101 0.000 1.024 421 L CA -0.708 54.138 54.840 0.010 0.000 0.810 421 L CB 1.555 43.571 42.059 -0.071 0.000 1.240 421 L HN 0.589 nan 8.230 nan 0.000 0.427 422 L N 5.050 126.161 121.223 -0.188 0.000 2.470 422 L HA 0.509 4.849 4.340 -0.000 0.000 0.268 422 L C -1.166 175.568 176.870 -0.228 0.000 0.964 422 L CA -0.311 54.358 54.840 -0.285 0.000 0.839 422 L CB 2.107 43.867 42.059 -0.499 0.000 1.276 422 L HN 0.327 nan 8.230 nan 0.000 0.403 423 V N 5.348 125.145 119.914 -0.196 0.000 2.509 423 V HA 0.521 4.641 4.120 -0.000 0.000 0.284 423 V C -0.377 175.600 176.094 -0.194 0.000 1.047 423 V CA -0.478 61.723 62.300 -0.165 0.000 0.952 423 V CB 1.684 33.422 31.823 -0.142 0.000 0.988 423 V HN 0.524 nan 8.190 nan 0.000 0.469 424 V N 7.412 127.219 119.914 -0.177 0.000 2.349 424 V HA 0.337 4.457 4.120 -0.000 0.000 0.284 424 V C -2.383 173.576 176.094 -0.226 0.000 1.014 424 V CA -1.702 60.488 62.300 -0.183 0.000 0.826 424 V CB 1.601 33.352 31.823 -0.121 0.000 1.009 424 V HN 0.745 nan 8.190 nan 0.000 0.431 425 P HA 0.107 nan 4.420 nan 0.000 0.272 425 P C -0.350 176.803 177.300 -0.245 0.000 1.240 425 P CA -0.316 62.471 63.100 -0.522 0.000 0.791 425 P CB 0.486 31.511 31.700 -1.125 0.000 0.978 426 Q N 1.994 121.743 119.800 -0.084 0.000 2.286 426 Q HA -0.093 4.247 4.340 -0.000 0.000 0.290 426 Q C 0.282 176.416 176.000 0.224 0.000 1.049 426 Q CA 0.735 56.588 55.803 0.082 0.000 0.923 426 Q CB -0.637 28.148 28.738 0.078 0.000 1.183 426 Q HN 0.452 nan 8.270 nan 0.000 0.383 427 N N 1.627 120.497 118.700 0.284 0.000 2.955 427 N HA -0.237 4.503 4.740 -0.000 0.000 0.230 427 N C -0.906 174.731 175.510 0.210 0.000 0.891 427 N CA 0.545 53.751 53.050 0.260 0.000 1.002 427 N CB -1.075 37.486 38.487 0.122 0.000 1.063 427 N HN 0.499 nan 8.380 nan 0.000 0.601 428 F N 1.581 121.528 119.950 -0.005 0.000 2.529 428 F HA 0.167 4.694 4.527 -0.000 0.000 0.365 428 F C 1.099 176.878 175.800 -0.034 0.000 1.102 428 F CA -0.761 57.212 58.000 -0.045 0.000 1.271 428 F CB 0.680 39.660 39.000 -0.034 0.000 1.120 428 F HN -0.275 nan 8.300 nan 0.000 0.579 429 V N 5.628 125.565 119.914 0.039 0.000 2.427 429 V HA 0.126 4.246 4.120 -0.000 0.000 0.268 429 V C 0.141 176.199 176.094 -0.060 0.000 1.046 429 V CA -0.467 61.839 62.300 0.011 0.000 0.970 429 V CB 0.518 32.311 31.823 -0.049 0.000 1.001 429 V HN 0.487 nan 8.190 nan 0.000 0.476 430 V N 2.847 122.620 119.914 -0.234 0.000 2.966 430 V HA 1.010 5.130 4.120 -0.000 0.000 0.317 430 V C 0.193 176.034 176.094 -0.423 0.000 1.070 430 V CA -0.674 61.416 62.300 -0.349 0.000 1.008 430 V CB 1.552 33.052 31.823 -0.539 0.000 1.070 430 V HN 1.062 nan 8.190 nan 0.000 0.457 431 A N 1.385 124.060 122.820 -0.241 0.000 2.547 431 A HA 0.763 5.083 4.320 -0.000 0.000 0.298 431 A C -1.151 176.417 177.584 -0.025 0.000 1.062 431 A CA -0.567 51.412 52.037 -0.096 0.000 0.748 431 A CB 1.520 20.508 19.000 -0.020 0.000 1.288 431 A HN 0.826 nan 8.150 nan 0.000 0.396 432 E N 0.350 120.578 120.200 0.048 0.000 2.359 432 E HA 0.751 5.101 4.350 -0.000 0.000 0.266 432 E C -0.668 175.996 176.600 0.107 0.000 0.920 432 E CA -0.576 55.869 56.400 0.074 0.000 0.788 432 E CB 1.978 31.750 29.700 0.120 0.000 1.279 432 E HN 0.627 nan 8.360 nan 0.000 0.438 433 Q N 0.255 120.107 119.800 0.087 0.000 2.281 433 Q HA 0.562 4.902 4.340 -0.000 0.000 0.263 433 Q C -0.973 175.071 176.000 0.072 0.000 0.989 433 Q CA -0.694 55.156 55.803 0.078 0.000 0.852 433 Q CB 1.613 30.387 28.738 0.060 0.000 1.337 433 Q HN 0.719 nan 8.270 nan 0.000 0.418 434 G N 1.477 110.320 108.800 0.072 0.000 2.467 434 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 434 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 434 G C 0.265 175.202 174.900 0.062 0.000 1.227 434 G CA 0.162 45.304 45.100 0.070 0.000 0.835 434 G HN 0.675 nan 8.290 nan 0.000 0.556 435 G N 0.409 109.244 108.800 0.058 0.000 2.504 435 G HA2 0.336 4.296 3.960 -0.000 0.000 0.257 435 G HA3 0.336 4.296 3.960 -0.000 0.000 0.257 435 G C 0.840 175.773 174.900 0.054 0.000 1.451 435 G CA 0.089 45.218 45.100 0.050 0.000 1.059 435 G HN 0.520 nan 8.290 nan 0.000 0.550 436 E N -0.410 119.817 120.200 0.045 0.000 2.153 436 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 436 E C 2.173 178.803 176.600 0.051 0.000 0.988 436 E CA 1.259 57.685 56.400 0.043 0.000 0.811 436 E CB -0.074 29.647 29.700 0.034 0.000 0.746 436 E HN 0.596 nan 8.360 nan 0.000 0.466 437 Q N 0.032 119.865 119.800 0.054 0.000 2.319 437 Q HA 0.271 4.611 4.340 -0.000 0.000 0.202 437 Q C 0.364 176.413 176.000 0.082 0.000 0.896 437 Q CA 0.209 56.049 55.803 0.062 0.000 0.942 437 Q CB 0.824 29.595 28.738 0.056 0.000 1.083 437 Q HN 0.263 nan 8.270 nan 0.000 0.510 438 G N 1.412 110.264 108.800 0.087 0.000 2.795 438 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.664 438 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.664 438 G C -1.255 173.695 174.900 0.084 0.000 1.381 438 G CA -0.773 44.389 45.100 0.104 0.000 0.853 438 G HN 0.180 nan 8.290 nan 0.000 0.545 439 L N 0.364 121.634 121.223 0.078 0.000 2.438 439 L HA 0.672 5.012 4.340 -0.000 0.000 0.270 439 L C -0.498 176.413 176.870 0.068 0.000 0.972 439 L CA -0.652 54.241 54.840 0.088 0.000 0.831 439 L CB 1.702 43.832 42.059 0.119 0.000 1.273 439 L HN 0.845 nan 8.230 nan 0.000 0.405 440 E N 4.860 125.095 120.200 0.059 0.000 2.234 440 E HA 0.523 4.873 4.350 -0.000 0.000 0.266 440 E C -1.919 174.659 176.600 -0.037 0.000 0.877 440 E CA -0.552 55.805 56.400 -0.071 0.000 0.758 440 E CB 2.582 32.281 29.700 -0.000 0.000 1.170 440 E HN 0.485 nan 8.360 nan 0.000 0.415 441 Y N -1.145 118.906 120.300 -0.414 0.000 2.638 441 Y HA 0.646 5.196 4.550 -0.000 0.000 0.335 441 Y C -1.598 173.979 175.900 -0.539 0.000 1.155 441 Y CA -1.309 56.579 58.100 -0.353 0.000 1.046 441 Y CB 0.839 39.165 38.460 -0.224 0.000 1.303 441 Y HN 0.307 nan 8.280 nan 0.000 0.460 442 V N 2.263 122.117 119.914 -0.099 0.000 2.630 442 V HA 0.811 4.931 4.120 -0.000 0.000 0.305 442 V C -1.336 174.668 176.094 -0.149 0.000 1.046 442 V CA -0.792 61.390 62.300 -0.197 0.000 0.934 442 V CB 1.685 33.389 31.823 -0.197 0.000 1.003 442 V HN 0.771 nan 8.190 nan 0.000 0.451 443 V N 7.072 126.870 119.914 -0.193 0.000 2.376 443 V HA 0.475 4.595 4.120 -0.000 0.000 0.287 443 V C -0.532 175.467 176.094 -0.158 0.000 1.015 443 V CA -0.497 61.761 62.300 -0.070 0.000 0.834 443 V CB 1.087 32.959 31.823 0.082 0.000 1.001 443 V HN 0.733 nan 8.190 nan 0.000 0.428 444 F N 3.333 123.318 119.950 0.058 0.000 2.384 444 F HA 0.576 5.103 4.527 -0.000 0.000 0.338 444 F C 0.724 176.545 175.800 0.035 0.000 1.103 444 F CA -0.248 57.775 58.000 0.039 0.000 1.157 444 F CB 1.003 40.005 39.000 0.003 0.000 1.167 444 F HN 0.288 nan 8.300 nan 0.000 0.529 445 K N 0.314 120.846 120.400 0.219 0.000 2.375 445 K HA 0.373 4.693 4.320 -0.000 0.000 0.249 445 K C -0.463 176.228 176.600 0.150 0.000 0.942 445 K CA -0.896 55.481 56.287 0.150 0.000 0.806 445 K CB 2.046 34.618 32.500 0.120 0.000 1.227 445 K HN 0.617 nan 8.250 nan 0.000 0.430 446 T N -0.773 113.857 114.554 0.127 0.000 3.540 446 T HA 0.179 4.529 4.350 -0.000 0.000 0.269 446 T C -0.264 174.539 174.700 0.171 0.000 1.481 446 T CA -0.424 61.751 62.100 0.125 0.000 1.224 446 T CB -0.516 68.400 68.868 0.080 0.000 1.192 446 T HN 0.515 nan 8.240 nan 0.000 0.756 447 H N 0.965 120.077 119.070 0.071 0.000 3.123 447 H HA 0.139 4.695 4.556 -0.000 0.000 0.346 447 H C 0.334 175.668 175.328 0.010 0.000 1.138 447 H CA -0.461 55.601 56.048 0.024 0.000 1.273 447 H CB 1.545 31.281 29.762 -0.043 0.000 1.926 447 H HN 0.607 nan 8.280 nan 0.000 0.524 448 H N 2.659 121.702 119.070 -0.044 0.000 2.521 448 H HA 0.019 4.575 4.556 -0.000 0.000 0.286 448 H C 0.036 175.462 175.328 0.162 0.000 1.034 448 H CA 1.181 57.266 56.048 0.061 0.000 1.278 448 H CB 0.342 30.093 29.762 -0.018 0.000 1.386 448 H HN 0.250 nan 8.280 nan 0.000 0.567 449 N N 0.497 119.141 118.700 -0.094 0.000 2.716 449 N HA 0.295 5.035 4.740 -0.000 0.000 0.245 449 N C -1.361 174.135 175.510 -0.023 0.000 1.495 449 N CA 0.111 53.157 53.050 -0.006 0.000 0.759 449 N CB 0.414 38.871 38.487 -0.051 0.000 1.261 449 N HN 0.538 nan 8.380 nan 0.000 0.515 450 A N 0.907 123.737 122.820 0.016 0.000 2.454 450 A HA 0.499 4.819 4.320 -0.000 0.000 0.260 450 A C 0.327 177.867 177.584 -0.073 0.000 1.106 450 A CA -0.293 51.703 52.037 -0.069 0.000 0.780 450 A CB 0.074 19.091 19.000 0.029 0.000 1.044 450 A HN 0.573 nan 8.150 nan 0.000 0.498 451 V N 1.638 121.479 119.914 -0.122 0.000 2.581 451 V HA 0.885 5.005 4.120 -0.000 0.000 0.303 451 V C 0.068 176.098 176.094 -0.106 0.000 1.041 451 V CA 0.031 62.279 62.300 -0.086 0.000 0.907 451 V CB 1.264 33.029 31.823 -0.095 0.000 0.994 451 V HN 1.291 nan 8.190 nan 0.000 0.442 452 S N 2.899 118.538 115.700 -0.101 0.000 2.704 452 S HA 0.865 5.335 4.470 -0.000 0.000 0.305 452 S C -0.267 174.165 174.600 -0.280 0.000 1.107 452 S CA -0.315 57.786 58.200 -0.165 0.000 0.993 452 S CB 1.797 64.965 63.200 -0.053 0.000 1.110 452 S HN 1.671 nan 8.310 nan 0.000 0.534 453 S N 0.432 115.820 115.700 -0.520 0.000 2.540 453 S HA 0.684 5.154 4.470 -0.000 0.000 0.275 453 S C -1.596 172.747 174.600 -0.430 0.000 1.123 453 S CA -0.863 56.966 58.200 -0.619 0.000 0.907 453 S CB 0.725 63.230 63.200 -1.159 0.000 1.081 453 S HN 0.873 nan 8.310 nan 0.000 0.476 454 Y N 2.162 122.288 120.300 -0.290 0.000 2.509 454 Y HA 0.645 5.195 4.550 -0.000 0.000 0.341 454 Y C 0.965 176.807 175.900 -0.095 0.000 1.038 454 Y CA -1.234 56.803 58.100 -0.104 0.000 1.089 454 Y CB 0.576 39.018 38.460 -0.030 0.000 1.241 454 Y HN 0.485 nan 8.280 nan 0.000 0.468 455 I N 1.233 121.828 120.570 0.042 0.000 2.493 455 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 455 I C 1.641 177.459 176.117 -0.498 0.000 1.160 455 I CA 1.180 62.325 61.300 -0.258 0.000 1.445 455 I CB -0.365 37.488 38.000 -0.244 0.000 1.086 455 I HN 0.751 nan 8.210 nan 0.000 0.433 456 K N 0.713 121.039 120.400 -0.122 0.000 2.097 456 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 456 K C 1.678 178.202 176.600 -0.126 0.000 1.049 456 K CA 1.873 58.175 56.287 0.024 0.000 0.933 456 K CB -0.264 32.399 32.500 0.272 0.000 0.717 456 K HN 0.202 nan 8.250 nan 0.000 0.442 457 D N 0.310 120.422 120.400 -0.479 0.000 2.183 457 D HA -0.097 4.543 4.640 -0.000 0.000 0.203 457 D C 1.602 177.715 176.300 -0.311 0.000 0.969 457 D CA 0.534 54.219 54.000 -0.524 0.000 0.842 457 D CB 0.278 40.396 40.800 -1.136 0.000 0.957 457 D HN -0.093 nan 8.370 nan 0.000 0.484 458 V N -0.112 119.609 119.914 -0.322 0.000 2.548 458 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 458 V C 1.943 178.015 176.094 -0.036 0.000 1.055 458 V CA 1.182 63.384 62.300 -0.163 0.000 1.065 458 V CB -0.624 31.120 31.823 -0.131 0.000 0.681 458 V HN 0.283 nan 8.190 nan 0.000 0.462 459 F N 0.066 120.004 119.950 -0.020 0.000 2.186 459 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 459 F C 2.679 178.439 175.800 -0.065 0.000 1.090 459 F CA 0.933 58.922 58.000 -0.019 0.000 1.307 459 F CB -0.257 38.722 39.000 -0.034 0.000 1.019 459 F HN -0.003 nan 8.300 nan 0.000 0.489 460 R N 0.437 120.989 120.500 0.088 0.000 2.096 460 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 460 R C 2.357 178.667 176.300 0.018 0.000 1.127 460 R CA 1.190 57.289 56.100 -0.002 0.000 0.968 460 R CB -0.641 29.658 30.300 -0.001 0.000 0.861 460 R HN 0.237 nan 8.270 nan 0.000 0.440 461 A N 0.867 123.699 122.820 0.019 0.000 2.119 461 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 461 A C 1.083 178.693 177.584 0.044 0.000 1.153 461 A CA 0.528 52.579 52.037 0.023 0.000 0.692 461 A CB -0.062 18.939 19.000 0.002 0.000 0.799 461 A HN 0.106 nan 8.150 nan 0.000 0.458 462 I N 0.821 121.432 120.570 0.069 0.000 2.353 462 I HA 0.254 4.424 4.170 -0.000 0.000 0.293 462 I C -2.332 173.820 176.117 0.058 0.000 0.992 462 I CA -2.538 58.807 61.300 0.075 0.000 1.268 462 I CB 1.578 39.654 38.000 0.127 0.000 1.387 462 I HN -0.028 nan 8.210 nan 0.000 0.478 463 P HA -0.022 nan 4.420 nan 0.000 0.264 463 P C 0.540 177.859 177.300 0.033 0.000 1.179 463 P CA 0.337 63.460 63.100 0.038 0.000 0.763 463 P CB 0.569 32.288 31.700 0.032 0.000 0.806 464 S N 1.392 117.110 115.700 0.030 0.000 2.374 464 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 464 S C 1.475 176.085 174.600 0.016 0.000 1.037 464 S CA 1.469 59.681 58.200 0.019 0.000 1.024 464 S CB -0.464 62.755 63.200 0.032 0.000 0.861 464 S HN 0.566 nan 8.310 nan 0.000 0.456 465 E N 0.014 120.224 120.200 0.017 0.000 2.216 465 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 465 E C 2.089 178.690 176.600 0.002 0.000 0.988 465 E CA 1.038 57.444 56.400 0.009 0.000 0.834 465 E CB -0.058 29.647 29.700 0.009 0.000 0.772 465 E HN 0.515 nan 8.360 nan 0.000 0.479 466 V N -0.194 119.723 119.914 0.005 0.000 2.871 466 V HA -0.103 4.017 4.120 -0.000 0.000 0.256 466 V C 1.851 177.935 176.094 -0.017 0.000 1.082 466 V CA 0.897 63.191 62.300 -0.011 0.000 1.105 466 V CB -0.071 31.750 31.823 -0.004 0.000 0.713 466 V HN 0.099 nan 8.190 nan 0.000 0.473 467 L N 0.541 121.777 121.223 0.021 0.000 2.131 467 L HA 0.057 4.397 4.340 -0.000 0.000 0.206 467 L C 2.729 179.635 176.870 0.061 0.000 1.087 467 L CA 2.197 57.077 54.840 0.068 0.000 0.767 467 L CB -0.693 41.407 42.059 0.067 0.000 0.917 467 L HN 0.376 nan 8.230 nan 0.000 0.441 468 S N -0.360 115.353 115.700 0.021 0.000 2.345 468 S HA -0.136 4.334 4.470 -0.000 0.000 0.220 468 S C 1.725 176.325 174.600 -0.001 0.000 1.031 468 S CA 1.264 59.474 58.200 0.017 0.000 0.996 468 S CB -0.348 62.855 63.200 0.006 0.000 0.882 468 S HN 0.501 nan 8.310 nan 0.000 0.445 469 N N 0.990 119.674 118.700 -0.027 0.000 2.364 469 N HA 0.002 4.742 4.740 -0.000 0.000 0.183 469 N C 1.616 177.067 175.510 -0.098 0.000 1.022 469 N CA 0.792 53.814 53.050 -0.048 0.000 0.883 469 N CB -0.128 38.333 38.487 -0.045 0.000 0.965 469 N HN 0.254 nan 8.380 nan 0.000 0.438 470 S N -0.381 115.214 115.700 -0.176 0.000 2.388 470 S HA 0.025 4.495 4.470 -0.000 0.000 0.223 470 S C 0.901 175.234 174.600 -0.446 0.000 1.034 470 S CA 0.622 58.593 58.200 -0.381 0.000 0.963 470 S CB 0.007 62.820 63.200 -0.646 0.000 0.827 470 S HN 0.413 nan 8.310 nan 0.000 0.481 471 Y N 1.354 121.640 120.300 -0.025 0.000 2.636 471 Y HA 0.385 4.935 4.550 -0.000 0.000 0.260 471 Y C 0.432 176.311 175.900 -0.035 0.000 1.177 471 Y CA -0.777 57.304 58.100 -0.031 0.000 1.209 471 Y CB -0.278 38.150 38.460 -0.053 0.000 1.166 471 Y HN 0.081 nan 8.280 nan 0.000 0.531 472 N N 1.351 120.091 118.700 0.066 0.000 2.716 472 N HA -0.205 4.535 4.740 -0.000 0.000 0.250 472 N C -0.782 174.751 175.510 0.038 0.000 1.033 472 N CA 0.694 53.767 53.050 0.037 0.000 0.727 472 N CB -1.195 37.308 38.487 0.027 0.000 0.950 472 N HN 0.413 nan 8.380 nan 0.000 0.541 473 L N -0.082 121.168 121.223 0.044 0.000 2.360 473 L HA 0.563 4.903 4.340 -0.000 0.000 0.271 473 L C 1.530 178.403 176.870 0.004 0.000 1.057 473 L CA -0.654 54.196 54.840 0.016 0.000 0.803 473 L CB 1.281 43.342 42.059 0.002 0.000 1.207 473 L HN 0.095 nan 8.230 nan 0.000 0.445 474 G N -0.115 108.682 108.800 -0.004 0.000 2.528 474 G HA2 0.154 4.114 3.960 -0.000 0.000 0.289 474 G HA3 0.154 4.114 3.960 -0.000 0.000 0.289 474 G C 0.342 175.240 174.900 -0.003 0.000 1.192 474 G CA -0.336 44.763 45.100 -0.002 0.000 0.921 474 G HN 0.597 nan 8.290 nan 0.000 0.512 475 Q N 0.010 119.813 119.800 0.004 0.000 2.124 475 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 475 Q C 2.791 178.799 176.000 0.013 0.000 0.977 475 Q CA 1.463 57.273 55.803 0.011 0.000 0.850 475 Q CB -0.613 28.137 28.738 0.021 0.000 0.901 475 Q HN 0.560 nan 8.270 nan 0.000 0.429 476 S N 0.389 116.096 115.700 0.011 0.000 2.370 476 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 476 S C 1.827 176.428 174.600 0.001 0.000 1.033 476 S CA 1.415 59.623 58.200 0.013 0.000 1.011 476 S CB 0.098 63.303 63.200 0.009 0.000 0.852 476 S HN 0.411 nan 8.310 nan 0.000 0.457 477 Q N -0.184 119.606 119.800 -0.017 0.000 2.137 477 Q HA 0.007 4.347 4.340 -0.000 0.000 0.198 477 Q C 2.312 178.267 176.000 -0.075 0.000 0.960 477 Q CA 1.413 57.191 55.803 -0.043 0.000 0.847 477 Q CB -0.167 28.542 28.738 -0.049 0.000 0.915 477 Q HN 0.459 nan 8.270 nan 0.000 0.448 478 V N 0.903 120.775 119.914 -0.070 0.000 2.407 478 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 478 V C 2.234 178.263 176.094 -0.109 0.000 1.055 478 V CA 1.710 63.944 62.300 -0.109 0.000 1.049 478 V CB -0.512 31.272 31.823 -0.065 0.000 0.662 478 V HN 0.275 nan 8.190 nan 0.000 0.455 479 R N 0.310 120.794 120.500 -0.027 0.000 2.096 479 R HA -0.225 4.115 4.340 -0.000 0.000 0.235 479 R C 2.478 178.806 176.300 0.047 0.000 1.127 479 R CA 1.893 58.025 56.100 0.053 0.000 0.968 479 R CB -0.137 30.250 30.300 0.145 0.000 0.861 479 R HN 0.816 nan 8.270 nan 0.000 0.440 480 Q N -0.407 119.402 119.800 0.016 0.000 2.378 480 Q HA -0.043 4.297 4.340 -0.000 0.000 0.205 480 Q C 1.805 177.792 176.000 -0.020 0.000 0.954 480 Q CA 0.876 56.693 55.803 0.024 0.000 0.901 480 Q CB -0.074 28.673 28.738 0.015 0.000 0.981 480 Q HN 0.323 nan 8.270 nan 0.000 0.483 481 L N 0.294 121.460 121.223 -0.095 0.000 2.044 481 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 481 L C 2.349 179.169 176.870 -0.084 0.000 1.075 481 L CA 1.331 56.091 54.840 -0.133 0.000 0.747 481 L CB -0.137 41.723 42.059 -0.332 0.000 0.903 481 L HN 0.254 nan 8.230 nan 0.000 0.435 482 K N -0.632 119.638 120.400 -0.216 0.000 2.057 482 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 482 K C -0.327 176.022 176.600 -0.419 0.000 1.050 482 K CA 1.174 57.211 56.287 -0.417 0.000 0.935 482 K CB 0.125 32.112 32.500 -0.855 0.000 0.715 482 K HN 0.188 nan 8.250 nan 0.000 0.439 483 Y N 0.333 120.663 120.300 0.049 0.000 2.705 483 Y HA 0.377 4.927 4.550 -0.000 0.000 0.355 483 Y C -0.953 174.971 175.900 0.040 0.000 1.039 483 Y CA -0.748 57.381 58.100 0.047 0.000 1.233 483 Y CB 1.119 39.600 38.460 0.036 0.000 1.103 483 Y HN -0.058 nan 8.280 nan 0.000 0.624 484 Q N 1.727 121.618 119.800 0.151 0.000 3.087 484 Q HA 0.514 4.854 4.340 -0.000 0.000 0.202 484 Q C -0.733 175.319 176.000 0.087 0.000 0.763 484 Q CA 0.069 55.936 55.803 0.106 0.000 1.023 484 Q CB 0.490 29.277 28.738 0.081 0.000 1.570 484 Q HN 0.877 nan 8.270 nan 0.000 0.494 485 G N 1.497 110.349 108.800 0.086 0.000 2.356 485 G HA2 0.294 4.254 3.960 -0.000 0.000 0.281 485 G HA3 0.294 4.254 3.960 -0.000 0.000 0.281 485 G C -1.134 173.808 174.900 0.069 0.000 1.246 485 G CA -0.224 44.922 45.100 0.076 0.000 0.889 485 G HN 0.411 nan 8.290 nan 0.000 0.486 486 N N -0.919 117.818 118.700 0.061 0.000 2.623 486 N HA -0.123 4.617 4.740 -0.000 0.000 0.271 486 N C 0.919 176.486 175.510 0.094 0.000 1.206 486 N CA 0.987 54.070 53.050 0.055 0.000 0.666 486 N CB -1.055 37.460 38.487 0.045 0.000 0.887 486 N HN 0.525 nan 8.380 nan 0.000 0.554 487 S N -1.070 114.693 115.700 0.105 0.000 2.421 487 S HA 0.173 4.643 4.470 -0.000 0.000 0.224 487 S C 1.325 176.062 174.600 0.228 0.000 1.035 487 S CA 0.650 58.945 58.200 0.159 0.000 0.953 487 S CB 0.182 63.468 63.200 0.143 0.000 0.810 487 S HN 0.683 nan 8.310 nan 0.000 0.497 488 G N 1.698 110.574 108.800 0.128 0.000 2.588 488 G HA2 0.285 4.245 3.960 -0.000 0.000 0.278 488 G HA3 0.285 4.245 3.960 -0.000 0.000 0.278 488 G C -1.719 173.005 174.900 -0.293 0.000 1.307 488 G CA -0.719 44.386 45.100 0.008 0.000 1.016 488 G HN 0.147 nan 8.290 nan 0.000 0.503 489 P HA 0.062 nan 4.420 nan 0.000 0.231 489 P C 0.399 177.483 177.300 -0.360 0.000 1.168 489 P CA 0.460 63.095 63.100 -0.775 0.000 0.779 489 P CB 0.309 31.338 31.700 -1.118 0.000 0.844 490 L N 0.978 121.993 121.223 -0.348 0.000 2.261 490 L HA 0.280 4.620 4.340 -0.000 0.000 0.289 490 L C 0.009 176.804 176.870 -0.124 0.000 1.059 490 L CA -0.684 54.006 54.840 -0.250 0.000 0.816 490 L CB 1.356 43.234 42.059 -0.301 0.000 1.191 490 L HN -0.289 nan 8.230 nan 0.000 0.431 491 V N 3.079 122.956 119.914 -0.062 0.000 2.435 491 V HA 0.268 4.388 4.120 -0.000 0.000 0.290 491 V C -0.166 175.924 176.094 -0.006 0.000 1.030 491 V CA -0.763 61.527 62.300 -0.017 0.000 0.881 491 V CB 1.935 33.770 31.823 0.019 0.000 0.983 491 V HN 0.878 nan 8.190 nan 0.000 0.445 492 N N 5.390 124.089 118.700 -0.001 0.000 2.469 492 N HA 0.652 5.392 4.740 -0.000 0.000 0.253 492 N C -2.391 173.130 175.510 0.018 0.000 0.970 492 N CA -1.180 51.877 53.050 0.011 0.000 0.940 492 N CB 1.688 40.178 38.487 0.006 0.000 1.128 492 N HN 0.466 nan 8.380 nan 0.000 0.503 493 P HA 0.000 nan 4.420 nan 0.000 0.216 493 P CA 0.000 63.115 63.100 0.025 0.000 0.800 493 P CB 0.000 31.717 31.700 0.029 0.000 0.726