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 3fbr_1_A DATA FIRST_RESID 2 DATA SEQUENCE PKLVTWMNNQ RVGELTKLAN GAHTFKYAPE WLASRYARPL SLSLPLQRGN DATA SEQUENCE ITSDAVFNFF DNLLPDSPIV RDRIVKRYHA KSRQPFDLLS EIGRDSVGAV DATA SEQUENCE TLIPEDETVT HPIMAWEKLT EARLEEVLTA YKADIPLGMI REENDFRISV DATA SEQUENCE AGAQEKTALL RIGNDWCIPK GITPTTHIIK LPIGEIRQPN ATLDLSQSVD DATA SEQUENCE NEYYCLLLAK ELGLNVPDAE IIKAGNVRAL AVERFDRRWN AERTVLLRLP DATA SEQUENCE QEDMCQTFGL PSSVKYESDG GPGIARIMAF LMGSSEALKD RYDFMKFQVF DATA SEQUENCE QWLIGATQGH AKNFSVFIQA GGSYRLTPFY DIISAFPVLG GTGIHISDLK DATA SEQUENCE LAMGLNASKG KKTAIDKIYP RHFLATAKVL RFPEVQMHEI LSDFARMIPA DATA SEQUENCE ALDNVKTSLP TDFPENVVTA VESNVLRLHG RLSREY 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.328 177.300 0.046 0.000 1.155 2 P CA 0.000 63.094 63.100 -0.011 0.000 0.800 2 P CB 0.000 31.643 31.700 -0.095 0.000 0.726 3 K N 0.803 121.254 120.400 0.085 0.000 2.419 3 K HA 0.804 5.124 4.320 0.001 0.000 0.246 3 K C -0.169 176.521 176.600 0.150 0.000 1.037 3 K CA -0.628 55.720 56.287 0.101 0.000 0.982 3 K CB 0.869 33.379 32.500 0.016 0.000 1.283 3 K HN 0.353 nan 8.250 nan 0.000 0.500 4 L N 1.202 122.453 121.223 0.047 0.000 2.367 4 L HA 0.200 4.541 4.340 0.001 0.000 0.263 4 L C -1.389 175.436 176.870 -0.075 0.000 1.473 4 L CA -0.657 54.143 54.840 -0.066 0.000 0.807 4 L CB 1.148 43.034 42.059 -0.288 0.000 0.968 4 L HN 0.279 nan 8.230 nan 0.000 0.520 5 V N 1.114 120.985 119.914 -0.071 0.000 2.644 5 V HA -0.080 4.041 4.120 0.001 0.000 0.303 5 V C 0.783 176.687 176.094 -0.316 0.000 1.058 5 V CA 0.950 63.105 62.300 -0.242 0.000 1.228 5 V CB 0.260 31.938 31.823 -0.241 0.000 0.861 5 V HN 0.654 nan 8.190 nan 0.000 0.484 6 T N 5.746 120.074 114.554 -0.376 0.000 2.770 6 T HA 0.482 4.833 4.350 0.001 0.000 0.297 6 T C -0.517 173.960 174.700 -0.371 0.000 0.997 6 T CA -0.349 61.631 62.100 -0.200 0.000 0.949 6 T CB 0.352 69.268 68.868 0.079 0.000 0.941 6 T HN 0.618 nan 8.240 nan 0.000 0.457 7 W N 2.296 123.571 121.300 -0.042 0.000 2.578 7 W HA 0.753 5.414 4.660 0.001 0.000 0.353 7 W C -0.037 176.426 176.519 -0.094 0.000 1.088 7 W CA -1.547 55.754 57.345 -0.073 0.000 1.235 7 W CB 1.042 30.492 29.460 -0.018 0.000 1.362 7 W HN 0.383 nan 8.180 nan 0.000 0.592 8 M N 3.364 123.041 119.600 0.128 0.000 2.053 8 M HA 0.228 4.708 4.480 0.001 0.000 0.297 8 M C 0.225 176.631 176.300 0.176 0.000 0.921 8 M CA 0.123 55.474 55.300 0.084 0.000 0.918 8 M CB 0.419 33.001 32.600 -0.030 0.000 1.499 8 M HN 0.705 nan 8.290 nan 0.000 0.422 9 N N 1.922 120.706 118.700 0.139 0.000 1.742 9 N HA -0.298 4.443 4.740 0.001 0.000 0.162 9 N C -0.032 175.551 175.510 0.122 0.000 0.678 9 N CA 1.759 54.877 53.050 0.112 0.000 1.210 9 N CB -0.714 37.850 38.487 0.129 0.000 1.358 9 N HN 0.758 nan 8.380 nan 0.000 0.440 10 N N 1.908 120.699 118.700 0.151 0.000 2.171 10 N HA 0.187 4.927 4.740 0.001 0.000 0.212 10 N C -0.710 174.965 175.510 0.276 0.000 1.184 10 N CA 0.312 53.445 53.050 0.139 0.000 0.888 10 N CB 0.448 38.977 38.487 0.069 0.000 1.038 10 N HN 0.359 nan 8.380 nan 0.000 0.517 11 Q N 0.348 120.357 119.800 0.349 0.000 2.235 11 Q HA 0.292 4.632 4.340 0.001 0.000 0.250 11 Q C -0.189 176.055 176.000 0.407 0.000 0.909 11 Q CA -0.459 55.609 55.803 0.441 0.000 0.910 11 Q CB 2.096 31.184 28.738 0.584 0.000 1.223 11 Q HN -0.023 nan 8.270 nan 0.000 0.432 12 R N 1.682 122.391 120.500 0.350 0.000 2.298 12 R HA 0.147 4.488 4.340 0.001 0.000 0.310 12 R C 0.197 176.425 176.300 -0.120 0.000 1.068 12 R CA -0.014 56.083 56.100 -0.006 0.000 0.957 12 R CB 0.680 30.890 30.300 -0.148 0.000 1.003 12 R HN 0.553 nan 8.270 nan 0.000 0.454 13 V N 2.515 122.143 119.914 -0.477 0.000 2.788 13 V HA 0.342 4.462 4.120 0.001 0.000 0.241 13 V C 1.072 176.989 176.094 -0.295 0.000 1.083 13 V CA 0.928 62.764 62.300 -0.773 0.000 1.103 13 V CB 0.219 31.451 31.823 -0.985 0.000 0.800 13 V HN 1.008 nan 8.190 nan 0.000 0.476 14 G N 0.716 109.336 108.800 -0.299 0.000 2.360 14 G HA2 0.456 4.416 3.960 0.001 0.000 0.276 14 G HA3 0.456 4.416 3.960 0.001 0.000 0.276 14 G C -1.849 172.818 174.900 -0.388 0.000 1.256 14 G CA -0.090 44.739 45.100 -0.452 0.000 0.890 14 G HN 0.469 nan 8.290 nan 0.000 0.486 15 E N -0.640 119.235 120.200 -0.540 0.000 2.274 15 E HA 0.570 4.921 4.350 0.001 0.000 0.269 15 E C -1.149 175.418 176.600 -0.055 0.000 0.891 15 E CA -0.912 55.358 56.400 -0.217 0.000 0.784 15 E CB 2.401 31.976 29.700 -0.208 0.000 1.225 15 E HN 0.715 nan 8.360 nan 0.000 0.412 16 L N 2.832 124.148 121.223 0.154 0.000 2.397 16 L HA 0.585 4.925 4.340 0.001 0.000 0.271 16 L C -0.479 176.479 176.870 0.147 0.000 1.148 16 L CA 0.718 55.644 54.840 0.142 0.000 0.825 16 L CB 1.560 43.477 42.059 -0.235 0.000 1.117 16 L HN 0.820 nan 8.230 nan 0.000 0.456 17 T N 2.793 117.410 114.554 0.105 0.000 2.952 17 T HA 0.335 4.686 4.350 0.001 0.000 0.305 17 T C -0.831 173.637 174.700 -0.386 0.000 1.064 17 T CA -0.936 61.157 62.100 -0.011 0.000 1.008 17 T CB 0.886 69.717 68.868 -0.062 0.000 1.078 17 T HN 0.845 nan 8.240 nan 0.000 0.459 18 K N 5.489 125.281 120.400 -1.014 0.000 2.310 18 K HA 0.315 4.636 4.320 0.001 0.000 0.290 18 K C 0.210 176.492 176.600 -0.529 0.000 1.077 18 K CA -0.834 54.757 56.287 -1.160 0.000 0.922 18 K CB 0.344 31.765 32.500 -1.797 0.000 1.057 18 K HN 0.559 nan 8.250 nan 0.000 0.479 19 L N 3.141 124.183 121.223 -0.301 0.000 2.473 19 L HA -0.003 4.338 4.340 0.001 0.000 0.265 19 L C 1.454 178.245 176.870 -0.132 0.000 1.243 19 L CA 0.719 55.467 54.840 -0.153 0.000 0.822 19 L CB 0.488 42.510 42.059 -0.063 0.000 1.101 19 L HN 0.924 nan 8.230 nan 0.000 0.507 20 A N 1.724 124.493 122.820 -0.085 0.000 2.209 20 A HA -0.127 4.193 4.320 0.001 0.000 0.212 20 A C 1.183 178.740 177.584 -0.044 0.000 1.158 20 A CA 1.255 53.253 52.037 -0.065 0.000 0.742 20 A CB -0.811 18.162 19.000 -0.046 0.000 0.790 20 A HN 0.913 nan 8.150 nan 0.000 0.472 21 N N -3.690 114.989 118.700 -0.035 0.000 2.197 21 N HA 0.372 5.113 4.740 0.001 0.000 0.201 21 N C 0.888 176.395 175.510 -0.006 0.000 1.148 21 N CA 0.931 53.970 53.050 -0.018 0.000 0.883 21 N CB 0.643 39.123 38.487 -0.012 0.000 1.012 21 N HN 0.386 nan 8.380 nan 0.000 0.507 22 G N -0.857 107.939 108.800 -0.007 0.000 2.253 22 G HA2 -0.115 3.845 3.960 0.001 0.000 0.209 22 G HA3 -0.115 3.845 3.960 0.001 0.000 0.209 22 G C 0.362 175.354 174.900 0.153 0.000 0.997 22 G CA -0.184 44.944 45.100 0.047 0.000 0.640 22 G HN 0.687 nan 8.290 nan 0.000 0.496 23 A N 0.103 122.987 122.820 0.106 0.000 2.429 23 A HA 0.573 4.894 4.320 0.001 0.000 0.242 23 A C 0.032 177.808 177.584 0.320 0.000 1.088 23 A CA 0.527 52.678 52.037 0.191 0.000 0.784 23 A CB 0.101 19.152 19.000 0.085 0.000 1.038 23 A HN 0.681 nan 8.150 nan 0.000 0.501 24 H N -0.660 118.501 119.070 0.152 0.000 2.505 24 H HA 0.622 5.178 4.556 0.001 0.000 0.338 24 H C -0.203 175.225 175.328 0.166 0.000 1.057 24 H CA 0.158 56.310 56.048 0.173 0.000 1.202 24 H CB 1.727 31.684 29.762 0.326 0.000 1.466 24 H HN 0.630 nan 8.280 nan 0.000 0.499 25 T N 3.712 118.374 114.554 0.181 0.000 2.861 25 T HA 0.508 4.858 4.350 0.001 0.000 0.287 25 T C -1.433 173.387 174.700 0.199 0.000 1.003 25 T CA -0.579 61.625 62.100 0.175 0.000 0.977 25 T CB 0.382 69.298 68.868 0.081 0.000 0.996 25 T HN 0.309 nan 8.240 nan 0.000 0.448 26 F N 3.768 123.761 119.950 0.071 0.000 2.561 26 F HA 0.808 5.335 4.527 0.001 0.000 0.321 26 F C -0.628 175.158 175.800 -0.024 0.000 1.065 26 F CA -1.004 57.001 58.000 0.009 0.000 0.934 26 F CB 1.652 40.685 39.000 0.055 0.000 1.215 26 F HN 0.598 nan 8.300 nan 0.000 0.471 27 K N 4.572 124.328 120.400 -1.075 0.000 2.588 27 K HA 0.315 4.635 4.320 0.001 0.000 0.250 27 K C -2.072 173.979 176.600 -0.916 0.000 0.972 27 K CA -0.567 55.320 56.287 -0.666 0.000 0.821 27 K CB 0.949 33.272 32.500 -0.294 0.000 1.249 27 K HN 0.639 nan 8.250 nan 0.000 0.442 28 Y N 1.888 121.884 120.300 -0.506 0.000 2.425 28 Y HA 0.232 4.783 4.550 0.000 0.000 0.331 28 Y C 0.918 176.741 175.900 -0.129 0.000 1.157 28 Y CA 0.205 58.158 58.100 -0.244 0.000 1.372 28 Y CB 1.033 39.541 38.460 0.079 0.000 1.253 28 Y HN 0.633 nan 8.280 nan 0.000 0.536 29 A N 5.900 128.758 122.820 0.064 0.000 2.425 29 A HA 0.239 4.559 4.320 0.001 0.000 0.249 29 A C -1.620 176.057 177.584 0.155 0.000 1.084 29 A CA -1.328 50.743 52.037 0.056 0.000 0.781 29 A CB 0.156 19.167 19.000 0.018 0.000 1.019 29 A HN 0.635 nan 8.150 nan 0.000 0.490 30 P HA -0.173 nan 4.420 nan 0.000 0.216 30 P C 0.950 178.315 177.300 0.108 0.000 1.150 30 P CA 1.436 64.588 63.100 0.086 0.000 0.843 30 P CB 0.237 31.965 31.700 0.048 0.000 0.787 31 E N -1.470 118.805 120.200 0.124 0.000 2.097 31 E HA -0.205 4.145 4.350 0.001 0.000 0.196 31 E C 1.742 178.452 176.600 0.183 0.000 1.000 31 E CA 1.090 57.572 56.400 0.137 0.000 0.804 31 E CB -1.008 28.784 29.700 0.153 0.000 0.740 31 E HN 0.409 nan 8.360 nan 0.000 0.454 32 W N 0.359 121.698 121.300 0.065 0.000 2.407 32 W HA -0.084 4.576 4.660 0.000 0.000 0.305 32 W C 1.641 178.199 176.519 0.065 0.000 1.196 32 W CA 0.860 58.262 57.345 0.095 0.000 1.311 32 W CB -0.293 29.262 29.460 0.159 0.000 1.135 32 W HN 0.096 nan 8.180 nan 0.000 0.514 33 L N 1.415 122.748 121.223 0.184 0.000 2.042 33 L HA -0.128 4.212 4.340 0.001 0.000 0.210 33 L C 1.847 178.692 176.870 -0.042 0.000 1.076 33 L CA 1.524 56.389 54.840 0.041 0.000 0.749 33 L CB -1.027 41.073 42.059 0.069 0.000 0.893 33 L HN -0.103 nan 8.230 nan 0.000 0.432 34 A N -0.603 122.206 122.820 -0.019 0.000 3.078 34 A HA 0.448 4.768 4.320 0.001 0.000 0.279 34 A C 0.112 177.649 177.584 -0.078 0.000 1.594 34 A CA 0.165 52.177 52.037 -0.042 0.000 1.301 34 A CB -0.105 18.887 19.000 -0.013 0.000 1.162 34 A HN 0.135 nan 8.150 nan 0.000 0.585 35 S N 1.270 116.891 115.700 -0.133 0.000 2.605 35 S HA 0.281 4.751 4.470 0.001 0.000 0.279 35 S C 1.107 175.595 174.600 -0.186 0.000 1.166 35 S CA -0.525 57.572 58.200 -0.173 0.000 0.975 35 S CB 0.642 63.706 63.200 -0.227 0.000 1.111 35 S HN 0.743 nan 8.310 nan 0.000 0.465 36 R N 3.925 124.301 120.500 -0.207 0.000 2.200 36 R HA -0.080 4.260 4.340 0.001 0.000 0.234 36 R C -0.014 176.248 176.300 -0.064 0.000 1.127 36 R CA 1.261 57.240 56.100 -0.202 0.000 0.989 36 R CB -0.590 29.509 30.300 -0.335 0.000 0.869 36 R HN 0.794 nan 8.270 nan 0.000 0.459 37 Y N 0.973 121.180 120.300 -0.154 0.000 2.839 37 Y HA 0.499 5.049 4.550 0.001 0.000 0.361 37 Y C 0.432 176.162 175.900 -0.284 0.000 1.008 37 Y CA -0.790 57.214 58.100 -0.159 0.000 1.534 37 Y CB 0.793 39.185 38.460 -0.114 0.000 1.395 37 Y HN 0.136 nan 8.280 nan 0.000 0.534 38 A N 2.142 124.840 122.820 -0.203 0.000 2.355 38 A HA 0.833 5.153 4.320 0.001 0.000 0.324 38 A C -0.586 176.888 177.584 -0.184 0.000 1.117 38 A CA -0.861 50.866 52.037 -0.517 0.000 0.785 38 A CB 1.170 19.644 19.000 -0.876 0.000 1.254 38 A HN 0.488 nan 8.150 nan 0.000 0.453 39 R N 1.904 122.425 120.500 0.035 0.000 2.854 39 R HA 0.680 5.020 4.340 0.001 0.000 0.271 39 R C -3.181 173.423 176.300 0.506 0.000 0.994 39 R CA -1.906 54.343 56.100 0.249 0.000 0.945 39 R CB 1.615 32.060 30.300 0.242 0.000 1.194 39 R HN 0.496 nan 8.270 nan 0.000 0.476 40 P HA 0.064 nan 4.420 nan 0.000 0.273 40 P C 0.588 178.059 177.300 0.285 0.000 1.250 40 P CA -0.541 62.763 63.100 0.341 0.000 0.793 40 P CB 1.130 32.927 31.700 0.162 0.000 1.011 41 L N -0.501 120.858 121.223 0.227 0.000 2.093 41 L HA -0.032 4.308 4.340 0.001 0.000 0.208 41 L C 1.199 177.753 176.870 -0.526 0.000 1.085 41 L CA 1.542 56.218 54.840 -0.272 0.000 0.755 41 L CB -0.035 41.599 42.059 -0.707 0.000 0.904 41 L HN 0.567 nan 8.230 nan 0.000 0.435 42 S N -2.471 112.993 115.700 -0.394 0.000 2.565 42 S HA 0.207 4.677 4.470 0.001 0.000 0.274 42 S C 0.045 174.561 174.600 -0.140 0.000 1.144 42 S CA -0.773 57.193 58.200 -0.392 0.000 0.849 42 S CB 0.777 63.450 63.200 -0.879 0.000 1.103 42 S HN 0.097 nan 8.310 nan 0.000 0.455 43 L N 2.964 124.152 121.223 -0.058 0.000 2.700 43 L HA 0.058 4.398 4.340 0.001 0.000 0.240 43 L C 1.676 178.564 176.870 0.031 0.000 1.162 43 L CA 1.011 55.864 54.840 0.021 0.000 0.874 43 L CB -0.576 41.501 42.059 0.029 0.000 1.001 43 L HN 0.762 nan 8.230 nan 0.000 0.447 44 S N -0.193 115.496 115.700 -0.017 0.000 2.559 44 S HA 0.317 4.787 4.470 0.001 0.000 0.226 44 S C 0.426 175.043 174.600 0.029 0.000 1.000 44 S CA -0.548 57.666 58.200 0.023 0.000 0.948 44 S CB 0.112 63.325 63.200 0.020 0.000 0.870 44 S HN 0.340 nan 8.310 nan 0.000 0.497 45 L N -1.247 119.986 121.223 0.015 0.000 2.487 45 L HA 0.607 4.947 4.340 0.001 0.000 0.261 45 L C -3.319 173.640 176.870 0.149 0.000 1.223 45 L CA -1.747 53.148 54.840 0.091 0.000 0.883 45 L CB 1.125 43.230 42.059 0.076 0.000 1.065 45 L HN -0.229 nan 8.230 nan 0.000 0.488 46 P HA 0.164 nan 4.420 nan 0.000 0.272 46 P C 0.199 177.479 177.300 -0.032 0.000 1.240 46 P CA -0.265 62.869 63.100 0.057 0.000 0.791 46 P CB 1.253 32.983 31.700 0.051 0.000 0.978 47 L N 1.086 122.189 121.223 -0.201 0.000 2.543 47 L HA -0.022 4.318 4.340 0.001 0.000 0.285 47 L C 1.016 177.765 176.870 -0.202 0.000 1.236 47 L CA 1.076 55.643 54.840 -0.454 0.000 0.871 47 L CB -0.440 41.443 42.059 -0.294 0.000 1.121 47 L HN 0.568 nan 8.230 nan 0.000 0.501 48 Q N 2.441 122.137 119.800 -0.174 0.000 2.686 48 Q HA 0.382 4.722 4.340 0.001 0.000 0.266 48 Q C -1.537 174.501 176.000 0.063 0.000 0.965 48 Q CA -1.149 54.652 55.803 -0.003 0.000 0.894 48 Q CB 1.014 29.790 28.738 0.063 0.000 1.583 48 Q HN 0.372 nan 8.270 nan 0.000 0.405 49 R N 0.656 121.186 120.500 0.049 0.000 2.615 49 R HA 0.732 5.072 4.340 0.001 0.000 0.270 49 R C 0.699 177.037 176.300 0.063 0.000 1.081 49 R CA 1.023 57.157 56.100 0.055 0.000 1.154 49 R CB 0.825 31.144 30.300 0.033 0.000 1.063 49 R HN 1.056 nan 8.270 nan 0.000 0.519 50 G N 1.616 110.445 108.800 0.048 0.000 2.760 50 G HA2 -0.267 3.693 3.960 0.001 0.000 0.246 50 G HA3 -0.267 3.693 3.960 0.001 0.000 0.246 50 G C -0.901 174.024 174.900 0.041 0.000 1.359 50 G CA -0.523 44.599 45.100 0.036 0.000 0.861 50 G HN 0.650 nan 8.290 nan 0.000 0.541 51 N N -0.907 117.812 118.700 0.031 0.000 2.445 51 N HA 0.679 5.419 4.740 0.001 0.000 0.264 51 N C 0.018 175.578 175.510 0.083 0.000 1.227 51 N CA -0.198 52.872 53.050 0.033 0.000 0.963 51 N CB 1.077 39.576 38.487 0.020 0.000 1.188 51 N HN 0.696 nan 8.380 nan 0.000 0.491 52 I N -0.585 120.055 120.570 0.117 0.000 2.499 52 I HA 0.216 4.386 4.170 0.001 0.000 0.288 52 I C 0.513 176.731 176.117 0.169 0.000 1.048 52 I CA -0.485 60.913 61.300 0.162 0.000 1.062 52 I CB 2.239 40.381 38.000 0.237 0.000 1.238 52 I HN 0.651 nan 8.210 nan 0.000 0.426 53 T N 1.916 116.555 114.554 0.141 0.000 2.990 53 T HA 0.073 4.423 4.350 0.001 0.000 0.250 53 T C 0.923 175.710 174.700 0.145 0.000 1.041 53 T CA 0.110 62.292 62.100 0.137 0.000 1.010 53 T CB 0.184 69.107 68.868 0.092 0.000 1.003 53 T HN 0.538 nan 8.240 nan 0.000 0.499 54 S N 1.673 117.456 115.700 0.139 0.000 2.631 54 S HA -0.092 4.378 4.470 0.001 0.000 0.311 54 S C 0.780 175.468 174.600 0.147 0.000 1.254 54 S CA 0.269 58.546 58.200 0.127 0.000 1.039 54 S CB -0.025 63.251 63.200 0.126 0.000 0.753 54 S HN 0.495 nan 8.310 nan 0.000 0.494 55 D N 3.719 124.183 120.400 0.108 0.000 2.265 55 D HA -0.071 4.569 4.640 0.001 0.000 0.208 55 D C 1.975 178.385 176.300 0.184 0.000 0.977 55 D CA 1.426 55.490 54.000 0.107 0.000 0.871 55 D CB -0.565 40.266 40.800 0.051 0.000 0.925 55 D HN 0.597 nan 8.370 nan 0.000 0.485 56 A N 0.418 123.336 122.820 0.164 0.000 1.902 56 A HA -0.129 4.192 4.320 0.001 0.000 0.217 56 A C 2.294 180.012 177.584 0.224 0.000 1.181 56 A CA 0.957 53.096 52.037 0.170 0.000 0.623 56 A CB -0.657 18.417 19.000 0.123 0.000 0.818 56 A HN 0.184 nan 8.150 nan 0.000 0.443 57 V N -1.293 118.775 119.914 0.257 0.000 3.186 57 V HA -0.187 3.933 4.120 0.001 0.000 0.270 57 V C 1.945 178.352 176.094 0.522 0.000 1.149 57 V CA 1.858 64.372 62.300 0.357 0.000 1.160 57 V CB -1.028 31.021 31.823 0.376 0.000 0.758 57 V HN 0.639 nan 8.190 nan 0.000 0.516 58 F N 1.150 121.241 119.950 0.235 0.000 2.298 58 F HA 0.083 4.611 4.527 0.000 0.000 0.282 58 F C 2.233 178.100 175.800 0.110 0.000 1.045 58 F CA 0.917 58.991 58.000 0.123 0.000 1.280 58 F CB -0.095 38.880 39.000 -0.043 0.000 1.114 58 F HN 0.103 nan 8.300 nan 0.000 0.546 59 N N 0.879 119.795 118.700 0.361 0.000 2.094 59 N HA -0.263 4.477 4.740 0.001 0.000 0.191 59 N C 1.787 177.310 175.510 0.022 0.000 1.023 59 N CA 1.755 54.914 53.050 0.183 0.000 0.857 59 N CB -1.217 37.378 38.487 0.179 0.000 1.013 59 N HN 0.381 nan 8.380 nan 0.000 0.426 60 F N 1.211 121.106 119.950 -0.092 0.000 2.043 60 F HA -0.210 4.317 4.527 0.001 0.000 0.297 60 F C 1.931 177.518 175.800 -0.353 0.000 1.118 60 F CA 1.520 59.349 58.000 -0.285 0.000 1.202 60 F CB -0.710 37.999 39.000 -0.484 0.000 0.965 60 F HN -0.074 nan 8.300 nan 0.000 0.482 61 F N 0.277 120.084 119.950 -0.237 0.000 2.293 61 F HA -0.117 4.410 4.527 0.001 0.000 0.300 61 F C 2.287 177.842 175.800 -0.408 0.000 1.086 61 F CA 1.460 59.244 58.000 -0.361 0.000 1.375 61 F CB -0.881 38.019 39.000 -0.167 0.000 1.045 61 F HN 0.058 nan 8.300 nan 0.000 0.516 62 D N 0.019 120.244 120.400 -0.291 0.000 2.178 62 D HA -0.157 4.484 4.640 0.001 0.000 0.202 62 D C 1.810 177.982 176.300 -0.215 0.000 0.974 62 D CA 1.062 54.883 54.000 -0.298 0.000 0.841 62 D CB -0.150 40.463 40.800 -0.312 0.000 0.953 62 D HN 0.031 nan 8.370 nan 0.000 0.478 63 N N -0.093 118.455 118.700 -0.253 0.000 2.512 63 N HA -0.044 4.696 4.740 0.001 0.000 0.183 63 N C 0.921 176.259 175.510 -0.286 0.000 1.073 63 N CA 0.280 53.185 53.050 -0.241 0.000 0.911 63 N CB 0.084 38.417 38.487 -0.256 0.000 0.964 63 N HN 0.360 nan 8.380 nan 0.000 0.447 64 L N 0.906 121.920 121.223 -0.349 0.000 2.682 64 L HA 0.215 4.555 4.340 0.001 0.000 0.240 64 L C 0.125 176.875 176.870 -0.199 0.000 1.178 64 L CA 0.195 54.848 54.840 -0.311 0.000 0.970 64 L CB -0.178 41.678 42.059 -0.339 0.000 1.179 64 L HN -0.038 nan 8.230 nan 0.000 0.435 65 L N -1.539 119.583 121.223 -0.168 0.000 2.303 65 L HA 0.554 4.895 4.340 0.001 0.000 0.256 65 L C -2.421 174.386 176.870 -0.105 0.000 1.034 65 L CA -2.171 52.594 54.840 -0.125 0.000 0.832 65 L CB 1.931 43.926 42.059 -0.107 0.000 1.403 65 L HN -0.239 nan 8.230 nan 0.000 0.419 66 P HA 0.039 nan 4.420 nan 0.000 0.268 66 P C -0.926 176.344 177.300 -0.050 0.000 1.208 66 P CA 0.101 63.162 63.100 -0.065 0.000 0.777 66 P CB 0.465 32.132 31.700 -0.054 0.000 0.875 67 D N -0.966 119.411 120.400 -0.038 0.000 2.358 67 D HA 0.094 4.735 4.640 0.001 0.000 0.224 67 D C -0.021 176.269 176.300 -0.017 0.000 1.123 67 D CA 0.530 54.515 54.000 -0.025 0.000 0.833 67 D CB 0.041 40.833 40.800 -0.013 0.000 0.946 67 D HN 0.080 nan 8.370 nan 0.000 0.505 68 S N -0.164 115.523 115.700 -0.021 0.000 2.519 68 S HA 0.322 4.793 4.470 0.001 0.000 0.309 68 S C -1.893 172.696 174.600 -0.018 0.000 1.100 68 S CA -1.920 56.269 58.200 -0.018 0.000 1.059 68 S CB 1.354 64.541 63.200 -0.022 0.000 1.008 68 S HN -0.229 nan 8.310 nan 0.000 0.478 69 P HA -0.158 nan 4.420 nan 0.000 0.215 69 P C 1.572 178.864 177.300 -0.012 0.000 1.163 69 P CA 0.987 64.081 63.100 -0.010 0.000 0.894 69 P CB 0.025 31.720 31.700 -0.008 0.000 0.791 70 I N -0.805 119.756 120.570 -0.015 0.000 2.087 70 I HA -0.224 3.946 4.170 0.001 0.000 0.240 70 I C 2.346 178.454 176.117 -0.015 0.000 1.054 70 I CA 1.760 63.051 61.300 -0.016 0.000 1.311 70 I CB -1.751 36.236 38.000 -0.021 0.000 1.024 70 I HN -0.138 nan 8.210 nan 0.000 0.402 71 V N 0.945 120.848 119.914 -0.019 0.000 2.278 71 V HA -0.308 3.813 4.120 0.001 0.000 0.251 71 V C 2.648 178.733 176.094 -0.016 0.000 1.062 71 V CA 2.024 64.312 62.300 -0.019 0.000 1.038 71 V CB -0.850 30.956 31.823 -0.028 0.000 0.646 71 V HN 0.404 nan 8.190 nan 0.000 0.447 72 R N -0.552 119.939 120.500 -0.015 0.000 2.189 72 R HA -0.103 4.237 4.340 0.001 0.000 0.218 72 R C 1.952 178.249 176.300 -0.004 0.000 1.074 72 R CA 1.139 57.233 56.100 -0.009 0.000 0.991 72 R CB -0.307 29.988 30.300 -0.009 0.000 0.883 72 R HN 0.491 nan 8.270 nan 0.000 0.457 73 D N 0.292 120.688 120.400 -0.008 0.000 2.178 73 D HA -0.073 4.568 4.640 0.001 0.000 0.202 73 D C 1.778 178.068 176.300 -0.017 0.000 0.974 73 D CA 1.060 55.055 54.000 -0.009 0.000 0.841 73 D CB 0.238 41.032 40.800 -0.010 0.000 0.953 73 D HN 0.141 nan 8.370 nan 0.000 0.478 74 R N -0.282 120.208 120.500 -0.016 0.000 2.075 74 R HA 0.175 4.515 4.340 0.001 0.000 0.220 74 R C 2.445 178.736 176.300 -0.015 0.000 1.118 74 R CA 0.294 56.380 56.100 -0.024 0.000 0.986 74 R CB -0.157 30.132 30.300 -0.018 0.000 0.884 74 R HN 0.168 nan 8.270 nan 0.000 0.439 75 I N 0.917 121.496 120.570 0.015 0.000 2.300 75 I HA -0.333 3.838 4.170 0.001 0.000 0.252 75 I C 2.055 178.229 176.117 0.095 0.000 1.119 75 I CA 1.303 62.647 61.300 0.074 0.000 1.384 75 I CB -0.280 37.743 38.000 0.038 0.000 1.062 75 I HN 0.007 nan 8.210 nan 0.000 0.426 76 V N 0.628 120.560 119.914 0.028 0.000 2.239 76 V HA -0.250 3.870 4.120 0.001 0.000 0.236 76 V C 2.269 178.320 176.094 -0.071 0.000 1.040 76 V CA 1.786 64.093 62.300 0.012 0.000 0.996 76 V CB -0.693 31.130 31.823 -0.000 0.000 0.640 76 V HN 0.286 nan 8.190 nan 0.000 0.456 77 K N -0.108 120.211 120.400 -0.135 0.000 2.242 77 K HA -0.265 4.055 4.320 0.001 0.000 0.206 77 K C 2.323 178.716 176.600 -0.346 0.000 1.045 77 K CA 1.481 57.599 56.287 -0.281 0.000 0.930 77 K CB -0.285 32.108 32.500 -0.178 0.000 0.726 77 K HN 0.127 nan 8.250 nan 0.000 0.462 78 R N 0.507 120.878 120.500 -0.214 0.000 2.088 78 R HA -0.124 4.216 4.340 0.001 0.000 0.232 78 R C 1.156 177.196 176.300 -0.434 0.000 1.136 78 R CA 1.902 57.798 56.100 -0.339 0.000 0.926 78 R CB -0.457 29.651 30.300 -0.319 0.000 0.837 78 R HN 0.353 nan 8.270 nan 0.000 0.429 79 Y N -0.284 119.989 120.300 -0.046 0.000 2.636 79 Y HA 0.296 4.846 4.550 0.001 0.000 0.260 79 Y C -0.373 175.595 175.900 0.114 0.000 1.177 79 Y CA -0.428 57.697 58.100 0.043 0.000 1.209 79 Y CB -0.172 38.306 38.460 0.031 0.000 1.166 79 Y HN 0.178 nan 8.280 nan 0.000 0.531 80 H N -0.038 119.097 119.070 0.108 0.000 2.702 80 H HA -0.133 4.424 4.556 0.001 0.000 0.328 80 H C 0.585 175.967 175.328 0.090 0.000 1.111 80 H CA 0.300 56.394 56.048 0.077 0.000 1.109 80 H CB -0.793 29.003 29.762 0.056 0.000 1.606 80 H HN 0.506 nan 8.280 nan 0.000 0.399 81 A N 1.637 124.540 122.820 0.138 0.000 2.407 81 A HA 0.176 4.496 4.320 0.001 0.000 0.248 81 A C 1.493 179.143 177.584 0.110 0.000 1.082 81 A CA 0.068 52.175 52.037 0.116 0.000 0.785 81 A CB 0.612 19.663 19.000 0.083 0.000 1.020 81 A HN 0.438 nan 8.150 nan 0.000 0.489 82 K N 0.286 120.750 120.400 0.107 0.000 2.097 82 K HA -0.049 4.272 4.320 0.001 0.000 0.206 82 K C 0.996 177.648 176.600 0.087 0.000 1.049 82 K CA 1.744 58.089 56.287 0.096 0.000 0.933 82 K CB -0.108 32.451 32.500 0.098 0.000 0.717 82 K HN 0.938 nan 8.250 nan 0.000 0.442 83 S N -2.358 113.398 115.700 0.093 0.000 2.800 83 S HA 0.385 4.856 4.470 0.001 0.000 0.293 83 S C -0.256 174.394 174.600 0.084 0.000 1.209 83 S CA -0.981 57.271 58.200 0.086 0.000 0.884 83 S CB 0.929 64.186 63.200 0.096 0.000 1.244 83 S HN 0.029 nan 8.310 nan 0.000 0.540 84 R N -0.036 120.513 120.500 0.082 0.000 2.468 84 R HA 0.312 4.652 4.340 0.001 0.000 0.280 84 R C -0.527 175.828 176.300 0.093 0.000 0.963 84 R CA -0.222 55.921 56.100 0.071 0.000 1.083 84 R CB 0.208 30.541 30.300 0.056 0.000 1.200 84 R HN 0.444 nan 8.270 nan 0.000 0.541 85 Q N 0.821 120.704 119.800 0.137 0.000 2.293 85 Q HA 0.125 4.465 4.340 0.001 0.000 0.251 85 Q C -1.518 174.566 176.000 0.140 0.000 0.930 85 Q CA -2.417 53.501 55.803 0.191 0.000 0.893 85 Q CB 0.688 29.607 28.738 0.302 0.000 1.215 85 Q HN -0.084 nan 8.270 nan 0.000 0.425 86 P HA -0.273 nan 4.420 nan 0.000 0.219 86 P C 0.844 178.183 177.300 0.065 0.000 1.151 86 P CA 1.484 64.516 63.100 -0.114 0.000 0.850 86 P CB 0.094 31.475 31.700 -0.531 0.000 0.784 87 F N 1.863 121.907 119.950 0.155 0.000 2.016 87 F HA -0.121 4.407 4.527 0.001 0.000 0.290 87 F C 2.036 177.820 175.800 -0.027 0.000 1.166 87 F CA 1.699 59.721 58.000 0.037 0.000 1.156 87 F CB -0.795 38.163 39.000 -0.070 0.000 0.995 87 F HN -0.249 nan 8.300 nan 0.000 0.477 88 D N 0.921 121.600 120.400 0.464 0.000 2.220 88 D HA -0.237 4.403 4.640 0.001 0.000 0.198 88 D C 2.341 178.677 176.300 0.061 0.000 1.001 88 D CA 1.672 55.826 54.000 0.257 0.000 0.875 88 D CB -0.581 40.353 40.800 0.223 0.000 0.921 88 D HN 0.354 nan 8.370 nan 0.000 0.454 89 L N -0.109 121.135 121.223 0.036 0.000 2.023 89 L HA -0.090 4.250 4.340 0.001 0.000 0.205 89 L C 2.626 179.439 176.870 -0.096 0.000 1.073 89 L CA 0.603 55.432 54.840 -0.018 0.000 0.745 89 L CB -0.428 41.623 42.059 -0.013 0.000 0.900 89 L HN 0.025 nan 8.230 nan 0.000 0.435 90 L N -0.551 120.588 121.223 -0.140 0.000 2.131 90 L HA -0.186 4.154 4.340 0.001 0.000 0.210 90 L C 2.678 179.399 176.870 -0.248 0.000 1.092 90 L CA 0.806 55.528 54.840 -0.196 0.000 0.759 90 L CB -0.453 41.476 42.059 -0.217 0.000 0.903 90 L HN 0.235 nan 8.230 nan 0.000 0.435 91 S N -0.637 114.881 115.700 -0.305 0.000 2.420 91 S HA -0.165 4.305 4.470 0.001 0.000 0.237 91 S C 1.661 176.152 174.600 -0.182 0.000 1.023 91 S CA 1.120 59.155 58.200 -0.274 0.000 0.991 91 S CB -0.131 62.950 63.200 -0.199 0.000 0.792 91 S HN 0.444 nan 8.310 nan 0.000 0.488 92 E N 1.356 121.446 120.200 -0.183 0.000 2.023 92 E HA 0.059 4.410 4.350 0.001 0.000 0.195 92 E C 1.949 178.339 176.600 -0.349 0.000 0.964 92 E CA 0.554 56.794 56.400 -0.266 0.000 0.845 92 E CB -0.530 29.014 29.700 -0.259 0.000 0.813 92 E HN 0.522 nan 8.360 nan 0.000 0.476 93 I N -0.038 120.330 120.570 -0.336 0.000 3.749 93 I HA 0.209 4.380 4.170 0.001 0.000 0.314 93 I C 1.356 177.370 176.117 -0.172 0.000 1.267 93 I CA 0.537 61.668 61.300 -0.282 0.000 1.169 93 I CB -1.462 36.390 38.000 -0.246 0.000 1.009 93 I HN -0.017 nan 8.210 nan 0.000 0.444 94 G N 1.371 110.076 108.800 -0.158 0.000 2.653 94 G HA2 -0.194 3.766 3.960 0.001 0.000 0.212 94 G HA3 -0.194 3.766 3.960 0.001 0.000 0.212 94 G C 1.450 176.310 174.900 -0.067 0.000 1.138 94 G CA 0.086 45.119 45.100 -0.112 0.000 0.782 94 G HN 0.291 nan 8.290 nan 0.000 0.535 95 R N 0.919 121.379 120.500 -0.067 0.000 2.277 95 R HA -0.014 4.327 4.340 0.001 0.000 0.199 95 R C 1.112 177.400 176.300 -0.019 0.000 1.020 95 R CA 0.724 56.806 56.100 -0.030 0.000 0.911 95 R CB -0.749 29.536 30.300 -0.026 0.000 0.725 95 R HN 0.242 nan 8.270 nan 0.000 0.483 96 D N 1.116 121.507 120.400 -0.014 0.000 2.338 96 D HA 0.049 4.689 4.640 0.001 0.000 0.255 96 D C -0.708 175.565 176.300 -0.044 0.000 1.237 96 D CA 0.198 54.188 54.000 -0.016 0.000 0.883 96 D CB 0.490 41.297 40.800 0.011 0.000 1.087 96 D HN 0.335 nan 8.370 nan 0.000 0.485 97 S N 1.670 117.337 115.700 -0.056 0.000 2.709 97 S HA 0.428 4.898 4.470 0.001 0.000 0.302 97 S C -0.268 174.267 174.600 -0.109 0.000 1.127 97 S CA -0.900 57.246 58.200 -0.091 0.000 0.905 97 S CB 1.256 64.398 63.200 -0.097 0.000 1.151 97 S HN 0.157 nan 8.310 nan 0.000 0.510 98 V N 2.454 122.276 119.914 -0.152 0.000 2.493 98 V HA 0.522 4.642 4.120 0.001 0.000 0.292 98 V C 1.358 177.368 176.094 -0.141 0.000 1.016 98 V CA 1.617 63.806 62.300 -0.186 0.000 1.097 98 V CB -0.743 30.935 31.823 -0.241 0.000 0.947 98 V HN 1.582 nan 8.190 nan 0.000 0.479 99 G N 4.608 113.343 108.800 -0.108 0.000 2.416 99 G HA2 0.228 4.188 3.960 0.001 0.000 0.203 99 G HA3 0.228 4.188 3.960 0.001 0.000 0.203 99 G C 0.193 175.095 174.900 0.003 0.000 1.227 99 G CA -0.232 44.850 45.100 -0.031 0.000 1.041 99 G HN 1.507 nan 8.290 nan 0.000 0.546 100 A N -0.915 121.933 122.820 0.046 0.000 2.538 100 A HA 0.676 4.997 4.320 0.001 0.000 0.269 100 A C 0.668 178.288 177.584 0.059 0.000 1.231 100 A CA 1.039 53.111 52.037 0.057 0.000 0.948 100 A CB 0.220 19.277 19.000 0.096 0.000 1.110 100 A HN 1.660 nan 8.150 nan 0.000 0.529 101 V N 1.454 121.398 119.914 0.050 0.000 2.614 101 V HA 0.420 4.541 4.120 0.001 0.000 0.291 101 V C 0.117 176.256 176.094 0.074 0.000 1.049 101 V CA 0.309 62.647 62.300 0.063 0.000 1.038 101 V CB 1.039 32.910 31.823 0.081 0.000 0.980 101 V HN 0.384 nan 8.190 nan 0.000 0.481 102 T N 6.062 120.692 114.554 0.128 0.000 2.928 102 T HA 0.602 4.953 4.350 0.001 0.000 0.296 102 T C -0.646 174.196 174.700 0.235 0.000 1.000 102 T CA -0.428 61.766 62.100 0.156 0.000 0.989 102 T CB 1.121 70.094 68.868 0.175 0.000 1.005 102 T HN 0.378 nan 8.240 nan 0.000 0.442 103 L N 4.042 125.346 121.223 0.135 0.000 2.305 103 L HA 0.643 4.983 4.340 0.001 0.000 0.284 103 L C -0.624 176.301 176.870 0.091 0.000 1.013 103 L CA -0.794 54.099 54.840 0.089 0.000 0.819 103 L CB 1.184 43.211 42.059 -0.054 0.000 1.227 103 L HN 0.526 nan 8.230 nan 0.000 0.417 104 I N 4.446 125.135 120.570 0.198 0.000 2.465 104 I HA 0.363 4.533 4.170 0.001 0.000 0.291 104 I C -2.286 173.899 176.117 0.114 0.000 1.014 104 I CA -2.225 59.187 61.300 0.186 0.000 1.093 104 I CB 2.523 40.743 38.000 0.366 0.000 1.267 104 I HN 0.277 nan 8.210 nan 0.000 0.431 105 P HA -0.073 nan 4.420 nan 0.000 0.260 105 P C 0.775 178.118 177.300 0.071 0.000 1.185 105 P CA 0.267 63.386 63.100 0.031 0.000 0.763 105 P CB 0.453 32.167 31.700 0.023 0.000 0.776 106 E N 3.714 123.950 120.200 0.060 0.000 2.236 106 E HA -0.327 4.023 4.350 0.001 0.000 0.205 106 E C 0.947 177.588 176.600 0.068 0.000 1.028 106 E CA 2.160 58.596 56.400 0.061 0.000 0.827 106 E CB 0.091 29.817 29.700 0.043 0.000 0.735 106 E HN 0.579 nan 8.360 nan 0.000 0.470 107 D N -0.356 120.081 120.400 0.061 0.000 2.323 107 D HA -0.112 4.529 4.640 0.001 0.000 0.218 107 D C 0.346 176.682 176.300 0.059 0.000 0.973 107 D CA 0.123 54.156 54.000 0.055 0.000 0.890 107 D CB -0.558 40.268 40.800 0.043 0.000 1.011 107 D HN 0.291 nan 8.370 nan 0.000 0.499 108 E N 2.749 122.985 120.200 0.061 0.000 1.814 108 E HA 0.189 4.540 4.350 0.001 0.000 0.264 108 E C 0.038 176.680 176.600 0.071 0.000 1.179 108 E CA -0.467 55.970 56.400 0.061 0.000 0.972 108 E CB -0.109 29.625 29.700 0.056 0.000 1.077 108 E HN 0.145 nan 8.360 nan 0.000 0.417 109 T N -0.265 114.329 114.554 0.066 0.000 2.898 109 T HA 0.195 4.546 4.350 0.001 0.000 0.301 109 T C 0.518 175.234 174.700 0.028 0.000 1.049 109 T CA -0.867 61.272 62.100 0.064 0.000 1.095 109 T CB 1.255 70.157 68.868 0.057 0.000 0.976 109 T HN 0.232 nan 8.240 nan 0.000 0.539 110 V N 3.586 123.496 119.914 -0.006 0.000 2.530 110 V HA 0.427 4.547 4.120 0.001 0.000 0.282 110 V C 0.765 176.813 176.094 -0.077 0.000 1.048 110 V CA -0.336 61.946 62.300 -0.030 0.000 0.997 110 V CB 0.530 32.289 31.823 -0.107 0.000 0.987 110 V HN 1.224 nan 8.190 nan 0.000 0.477 111 T N 2.693 117.160 114.554 -0.145 0.000 2.573 111 T HA 0.586 4.936 4.350 0.001 0.000 0.259 111 T C -0.779 173.778 174.700 -0.237 0.000 0.886 111 T CA -0.566 61.353 62.100 -0.301 0.000 1.110 111 T CB 0.876 69.407 68.868 -0.562 0.000 1.421 111 T HN 0.828 nan 8.240 nan 0.000 0.523 112 H N -0.190 118.858 119.070 -0.037 0.000 4.498 112 H HA -0.082 4.474 4.556 0.001 0.000 0.261 112 H C -2.855 172.444 175.328 -0.048 0.000 0.570 112 H CA -0.176 55.847 56.048 -0.043 0.000 0.709 112 H CB -1.590 28.146 29.762 -0.043 0.000 1.040 112 H HN 0.500 nan 8.280 nan 0.000 0.305 113 P HA 0.071 nan 4.420 nan 0.000 0.264 113 P C 1.267 178.579 177.300 0.020 0.000 1.183 113 P CA 0.053 63.161 63.100 0.013 0.000 0.763 113 P CB 0.535 32.220 31.700 -0.026 0.000 0.807 114 I N 2.028 122.604 120.570 0.009 0.000 2.069 114 I HA -0.191 3.979 4.170 0.001 0.000 0.237 114 I C 1.805 177.933 176.117 0.019 0.000 1.053 114 I CA 1.607 62.908 61.300 0.001 0.000 1.311 114 I CB -0.171 37.825 38.000 -0.007 0.000 1.030 114 I HN 0.376 nan 8.210 nan 0.000 0.398 115 M N 1.511 121.141 119.600 0.050 0.000 2.289 115 M HA 0.497 4.978 4.480 0.001 0.000 0.354 115 M C -0.794 175.567 176.300 0.101 0.000 1.210 115 M CA -0.286 55.080 55.300 0.111 0.000 1.174 115 M CB 0.301 33.010 32.600 0.181 0.000 1.297 115 M HN 0.124 nan 8.290 nan 0.000 0.423 116 A N 4.421 127.273 122.820 0.053 0.000 2.401 116 A HA 0.880 5.200 4.320 0.001 0.000 0.310 116 A C -1.471 176.149 177.584 0.061 0.000 1.075 116 A CA -0.692 51.281 52.037 -0.107 0.000 0.746 116 A CB 0.859 19.767 19.000 -0.154 0.000 1.277 116 A HN 1.046 nan 8.150 nan 0.000 0.425 117 W N 0.344 121.636 121.300 -0.012 0.000 4.144 117 W HA 0.864 5.525 4.660 0.001 0.000 0.424 117 W C -0.772 175.717 176.519 -0.050 0.000 1.350 117 W CA -0.390 56.933 57.345 -0.036 0.000 0.963 117 W CB 0.751 30.207 29.460 -0.006 0.000 2.002 117 W HN 0.663 nan 8.180 nan 0.000 0.639 118 E N 1.108 121.581 120.200 0.454 0.000 2.651 118 E HA 0.224 4.575 4.350 0.001 0.000 0.360 118 E C -1.337 175.441 176.600 0.298 0.000 0.932 118 E CA -0.762 55.780 56.400 0.236 0.000 0.761 118 E CB 0.247 29.974 29.700 0.045 0.000 1.462 118 E HN 0.351 nan 8.360 nan 0.000 0.392 119 K N 2.487 123.102 120.400 0.358 0.000 2.542 119 K HA 0.170 4.491 4.320 0.001 0.000 0.276 119 K C -0.217 176.462 176.600 0.132 0.000 0.963 119 K CA 0.419 56.839 56.287 0.220 0.000 0.975 119 K CB 0.237 32.850 32.500 0.189 0.000 0.901 119 K HN 0.466 nan 8.250 nan 0.000 0.506 120 L N 1.397 122.693 121.223 0.122 0.000 2.362 120 L HA 0.352 4.693 4.340 0.001 0.000 0.275 120 L C 0.142 177.070 176.870 0.096 0.000 0.998 120 L CA -1.008 53.893 54.840 0.101 0.000 0.820 120 L CB 2.213 44.338 42.059 0.111 0.000 1.270 120 L HN 0.961 nan 8.230 nan 0.000 0.415 121 T N -1.594 112.999 114.554 0.065 0.000 2.913 121 T HA 0.146 4.496 4.350 0.001 0.000 0.297 121 T C 0.953 175.685 174.700 0.054 0.000 1.029 121 T CA -0.452 61.681 62.100 0.054 0.000 1.104 121 T CB 1.038 69.927 68.868 0.035 0.000 0.964 121 T HN 0.705 nan 8.240 nan 0.000 0.532 122 E N 2.146 122.378 120.200 0.053 0.000 2.097 122 E HA -0.140 4.210 4.350 0.001 0.000 0.196 122 E C 2.286 178.899 176.600 0.021 0.000 1.000 122 E CA 1.374 57.802 56.400 0.047 0.000 0.804 122 E CB -0.467 29.258 29.700 0.042 0.000 0.740 122 E HN 0.838 nan 8.360 nan 0.000 0.454 123 A N 0.745 123.574 122.820 0.016 0.000 2.209 123 A HA -0.019 4.301 4.320 0.001 0.000 0.212 123 A C 2.045 179.628 177.584 -0.002 0.000 1.158 123 A CA 1.019 53.058 52.037 0.003 0.000 0.742 123 A CB -0.159 18.843 19.000 0.004 0.000 0.790 123 A HN 0.017 nan 8.150 nan 0.000 0.472 124 R N -1.272 119.231 120.500 0.006 0.000 2.225 124 R HA 0.215 4.555 4.340 0.001 0.000 0.194 124 R C 1.705 178.002 176.300 -0.004 0.000 0.957 124 R CA 0.497 56.599 56.100 0.003 0.000 1.042 124 R CB -0.443 29.866 30.300 0.015 0.000 1.004 124 R HN 0.343 nan 8.270 nan 0.000 0.509 125 L N 1.541 122.760 121.223 -0.006 0.000 2.042 125 L HA -0.099 4.241 4.340 0.001 0.000 0.210 125 L C 1.963 178.795 176.870 -0.063 0.000 1.076 125 L CA 2.220 57.035 54.840 -0.040 0.000 0.749 125 L CB -0.600 41.419 42.059 -0.067 0.000 0.893 125 L HN 0.386 nan 8.230 nan 0.000 0.432 126 E N -0.620 119.548 120.200 -0.054 0.000 2.171 126 E HA -0.279 4.071 4.350 0.001 0.000 0.197 126 E C 1.872 178.429 176.600 -0.072 0.000 0.997 126 E CA 1.609 57.972 56.400 -0.061 0.000 0.810 126 E CB -0.080 29.591 29.700 -0.047 0.000 0.738 126 E HN 0.710 nan 8.360 nan 0.000 0.467 127 E N -0.170 119.995 120.200 -0.058 0.000 2.006 127 E HA -0.169 4.181 4.350 0.001 0.000 0.192 127 E C 2.200 178.764 176.600 -0.060 0.000 0.993 127 E CA 1.532 57.893 56.400 -0.065 0.000 0.808 127 E CB -0.036 29.643 29.700 -0.035 0.000 0.764 127 E HN 0.144 nan 8.360 nan 0.000 0.449 128 V N 1.775 121.679 119.914 -0.016 0.000 2.527 128 V HA -0.268 3.853 4.120 0.001 0.000 0.255 128 V C 2.189 178.268 176.094 -0.024 0.000 1.081 128 V CA 1.500 63.812 62.300 0.019 0.000 1.092 128 V CB -0.569 31.300 31.823 0.076 0.000 0.673 128 V HN 0.281 nan 8.190 nan 0.000 0.470 129 L N 0.235 121.423 121.223 -0.057 0.000 2.341 129 L HA 0.029 4.370 4.340 0.001 0.000 0.214 129 L C 1.843 178.693 176.870 -0.033 0.000 1.115 129 L CA 1.464 56.277 54.840 -0.045 0.000 0.820 129 L CB -0.379 41.639 42.059 -0.068 0.000 0.944 129 L HN 0.566 nan 8.230 nan 0.000 0.452 130 T N -4.089 110.366 114.554 -0.164 0.000 3.308 130 T HA 0.411 4.761 4.350 0.001 0.000 0.270 130 T C 1.151 175.505 174.700 -0.576 0.000 0.992 130 T CA 0.210 62.013 62.100 -0.496 0.000 0.931 130 T CB 0.794 69.411 68.868 -0.419 0.000 1.142 130 T HN 0.112 nan 8.240 nan 0.000 0.525 131 A N 1.151 123.809 122.820 -0.269 0.000 2.121 131 A HA 0.077 4.397 4.320 0.001 0.000 0.218 131 A C 1.812 179.315 177.584 -0.134 0.000 1.154 131 A CA 1.053 52.993 52.037 -0.161 0.000 0.679 131 A CB -0.980 17.986 19.000 -0.055 0.000 0.795 131 A HN 0.902 nan 8.150 nan 0.000 0.458 132 Y N -0.341 119.937 120.300 -0.036 0.000 2.274 132 Y HA -0.058 4.493 4.550 0.001 0.000 0.290 132 Y C 1.676 177.557 175.900 -0.032 0.000 1.145 132 Y CA 1.287 59.365 58.100 -0.036 0.000 1.203 132 Y CB -0.633 37.807 38.460 -0.034 0.000 0.984 132 Y HN 0.168 nan 8.280 nan 0.000 0.533 133 K N 0.716 120.909 120.400 -0.345 0.000 2.515 133 K HA 0.118 4.439 4.320 0.001 0.000 0.196 133 K C 1.526 178.071 176.600 -0.092 0.000 1.038 133 K CA 0.779 56.963 56.287 -0.172 0.000 0.967 133 K CB -0.073 32.242 32.500 -0.308 0.000 0.780 133 K HN 0.518 nan 8.250 nan 0.000 0.483 134 A N 0.906 123.672 122.820 -0.090 0.000 2.508 134 A HA 0.071 4.391 4.320 0.001 0.000 0.257 134 A C -0.065 177.495 177.584 -0.040 0.000 1.226 134 A CA -0.100 51.900 52.037 -0.062 0.000 0.947 134 A CB 0.375 19.330 19.000 -0.075 0.000 1.079 134 A HN 0.276 nan 8.150 nan 0.000 0.531 135 D N -0.478 119.913 120.400 -0.015 0.000 2.775 135 D HA -0.133 4.507 4.640 0.001 0.000 0.235 135 D C -0.520 175.762 176.300 -0.029 0.000 1.120 135 D CA 0.791 54.786 54.000 -0.009 0.000 0.708 135 D CB -1.796 38.991 40.800 -0.022 0.000 1.084 135 D HN 0.520 nan 8.370 nan 0.000 0.434 136 I N 0.354 120.911 120.570 -0.022 0.000 2.493 136 I HA 0.509 4.680 4.170 0.001 0.000 0.298 136 I C -2.000 174.105 176.117 -0.020 0.000 0.998 136 I CA -1.964 59.312 61.300 -0.042 0.000 1.137 136 I CB 2.193 40.162 38.000 -0.052 0.000 1.310 136 I HN -0.131 nan 8.210 nan 0.000 0.445 137 P HA 0.322 nan 4.420 nan 0.000 0.292 137 P C 0.121 177.381 177.300 -0.067 0.000 1.283 137 P CA -0.353 62.732 63.100 -0.025 0.000 0.835 137 P CB 1.855 33.553 31.700 -0.003 0.000 1.017 138 L N 0.936 122.111 121.223 -0.080 0.000 4.137 138 L HA -0.275 4.065 4.340 0.001 0.000 0.421 138 L C 0.952 177.694 176.870 -0.214 0.000 1.162 138 L CA 0.898 55.652 54.840 -0.142 0.000 0.978 138 L CB -2.413 39.535 42.059 -0.185 0.000 1.957 138 L HN 0.925 nan 8.230 nan 0.000 0.978 139 G N 0.391 109.113 108.800 -0.131 0.000 2.374 139 G HA2 -0.280 3.680 3.960 0.001 0.000 0.289 139 G HA3 -0.280 3.680 3.960 0.001 0.000 0.289 139 G C 0.001 174.787 174.900 -0.189 0.000 1.004 139 G CA 0.470 45.508 45.100 -0.103 0.000 1.292 139 G HN 0.393 nan 8.290 nan 0.000 0.502 140 M N 2.231 121.748 119.600 -0.139 0.000 2.065 140 M HA 0.319 4.799 4.480 0.001 0.000 0.308 140 M C 1.066 177.469 176.300 0.172 0.000 0.939 140 M CA -0.849 54.439 55.300 -0.020 0.000 0.890 140 M CB 0.789 33.306 32.600 -0.139 0.000 1.383 140 M HN 0.462 nan 8.290 nan 0.000 0.381 141 I N -0.604 120.120 120.570 0.258 0.000 3.075 141 I HA -0.155 4.015 4.170 0.001 0.000 0.320 141 I C 1.052 177.219 176.117 0.084 0.000 1.211 141 I CA 0.369 61.746 61.300 0.128 0.000 1.463 141 I CB 0.448 38.520 38.000 0.120 0.000 1.308 141 I HN 0.728 nan 8.210 nan 0.000 0.553 142 R N 3.789 124.297 120.500 0.013 0.000 2.062 142 R HA -0.128 4.213 4.340 0.001 0.000 0.229 142 R C 1.892 178.195 176.300 0.004 0.000 1.128 142 R CA 1.565 57.653 56.100 -0.021 0.000 0.960 142 R CB -0.447 29.824 30.300 -0.048 0.000 0.855 142 R HN 0.849 nan 8.270 nan 0.000 0.432 143 E N 1.197 121.402 120.200 0.008 0.000 2.095 143 E HA -0.276 4.074 4.350 0.001 0.000 0.212 143 E C 1.285 177.895 176.600 0.017 0.000 1.044 143 E CA 1.755 58.160 56.400 0.009 0.000 0.857 143 E CB 0.074 29.778 29.700 0.007 0.000 0.764 143 E HN 0.307 nan 8.360 nan 0.000 0.462 144 E N -1.215 119.002 120.200 0.029 0.000 4.410 144 E HA -0.086 4.264 4.350 0.001 0.000 0.581 144 E C 0.686 177.321 176.600 0.058 0.000 0.467 144 E CA 1.030 57.449 56.400 0.032 0.000 3.898 144 E CB 0.178 29.895 29.700 0.028 0.000 2.325 144 E HN 0.128 nan 8.360 nan 0.000 0.307 145 N N -2.053 116.706 118.700 0.098 0.000 2.387 145 N HA -0.067 4.674 4.740 0.001 0.000 0.292 145 N C -0.601 175.011 175.510 0.171 0.000 1.490 145 N CA 0.437 53.582 53.050 0.159 0.000 2.535 145 N CB -0.129 38.425 38.487 0.110 0.000 1.631 145 N HN 0.206 nan 8.380 nan 0.000 1.037 146 D N -0.212 120.250 120.400 0.103 0.000 2.269 146 D HA -0.020 4.621 4.640 0.001 0.000 0.208 146 D C 0.064 176.462 176.300 0.164 0.000 0.963 146 D CA 0.471 54.509 54.000 0.063 0.000 0.864 146 D CB 0.215 41.003 40.800 -0.020 0.000 0.936 146 D HN 0.286 nan 8.370 nan 0.000 0.505 147 F N 2.140 122.134 119.950 0.073 0.000 2.494 147 F HA 0.063 4.590 4.527 0.000 0.000 0.369 147 F C 1.032 176.871 175.800 0.064 0.000 1.098 147 F CA -0.229 57.818 58.000 0.078 0.000 1.154 147 F CB 0.294 39.354 39.000 0.101 0.000 1.103 147 F HN -0.353 nan 8.300 nan 0.000 0.549 148 R N 6.934 127.575 120.500 0.235 0.000 2.635 148 R HA 0.181 4.521 4.340 0.001 0.000 0.393 148 R C -0.079 176.185 176.300 -0.061 0.000 1.070 148 R CA -0.216 55.860 56.100 -0.040 0.000 1.118 148 R CB 0.218 30.458 30.300 -0.100 0.000 1.341 148 R HN 0.615 nan 8.270 nan 0.000 0.628 149 I N -1.794 118.735 120.570 -0.068 0.000 3.269 149 I HA 0.395 4.565 4.170 0.001 0.000 0.287 149 I C 0.305 176.343 176.117 -0.132 0.000 1.152 149 I CA -0.204 61.043 61.300 -0.088 0.000 1.263 149 I CB 0.880 38.808 38.000 -0.120 0.000 1.439 149 I HN -0.079 nan 8.210 nan 0.000 0.637 150 S N 1.421 117.051 115.700 -0.117 0.000 2.542 150 S HA 0.704 5.174 4.470 0.001 0.000 0.276 150 S C -1.213 173.312 174.600 -0.125 0.000 1.148 150 S CA -0.552 57.574 58.200 -0.123 0.000 0.886 150 S CB 1.443 64.571 63.200 -0.120 0.000 1.109 150 S HN 0.649 nan 8.310 nan 0.000 0.458 151 V N 2.712 122.549 119.914 -0.128 0.000 3.048 151 V HA 0.840 4.961 4.120 0.001 0.000 0.303 151 V C 0.808 176.822 176.094 -0.134 0.000 1.214 151 V CA -0.454 61.762 62.300 -0.140 0.000 0.984 151 V CB 1.252 32.998 31.823 -0.129 0.000 1.054 151 V HN 1.152 nan 8.190 nan 0.000 0.430 152 A N 2.087 124.816 122.820 -0.152 0.000 2.662 152 A HA 0.852 5.172 4.320 0.001 0.000 0.234 152 A C 1.142 178.674 177.584 -0.086 0.000 1.851 152 A CA 0.644 52.604 52.037 -0.127 0.000 0.877 152 A CB -0.894 18.019 19.000 -0.145 0.000 1.697 152 A HN 2.752 nan 8.150 nan 0.000 0.700 153 G N -3.428 105.344 108.800 -0.048 0.000 2.804 153 G HA2 0.289 4.249 3.960 0.001 0.000 0.230 153 G HA3 0.289 4.249 3.960 0.001 0.000 0.230 153 G C 0.567 175.465 174.900 -0.002 0.000 1.386 153 G CA 0.670 45.770 45.100 -0.001 0.000 0.875 153 G HN 2.110 nan 8.290 nan 0.000 0.557 154 A N -0.975 121.856 122.820 0.018 0.000 2.427 154 A HA 0.547 4.867 4.320 0.001 0.000 0.225 154 A C 1.044 178.624 177.584 -0.007 0.000 1.257 154 A CA 1.418 53.459 52.037 0.006 0.000 0.985 154 A CB 0.158 19.173 19.000 0.025 0.000 1.136 154 A HN 1.039 nan 8.150 nan 0.000 0.538 155 Q N 0.983 120.781 119.800 -0.002 0.000 2.352 155 Q HA 0.225 4.565 4.340 0.001 0.000 0.260 155 Q C -0.314 175.666 176.000 -0.032 0.000 0.976 155 Q CA -0.302 55.492 55.803 -0.016 0.000 0.881 155 Q CB 0.549 29.287 28.738 -0.001 0.000 1.235 155 Q HN 0.313 nan 8.270 nan 0.000 0.419 156 E N 4.049 124.219 120.200 -0.050 0.000 2.161 156 E HA -0.019 4.331 4.350 0.001 0.000 0.263 156 E C -1.018 175.567 176.600 -0.025 0.000 1.185 156 E CA 0.311 56.683 56.400 -0.047 0.000 0.938 156 E CB 0.101 29.747 29.700 -0.091 0.000 1.023 156 E HN 0.487 nan 8.360 nan 0.000 0.433 157 K N 1.952 122.335 120.400 -0.027 0.000 2.197 157 K HA 0.737 5.057 4.320 0.001 0.000 0.247 157 K C -0.807 175.766 176.600 -0.044 0.000 1.077 157 K CA -0.981 55.288 56.287 -0.029 0.000 0.882 157 K CB 1.896 34.376 32.500 -0.034 0.000 1.396 157 K HN 0.304 nan 8.250 nan 0.000 0.482 158 T N -1.510 113.015 114.554 -0.049 0.000 2.786 158 T HA 0.610 4.961 4.350 0.001 0.000 0.316 158 T C -2.156 172.528 174.700 -0.027 0.000 1.503 158 T CA -0.437 61.623 62.100 -0.066 0.000 1.019 158 T CB 1.660 70.494 68.868 -0.056 0.000 1.415 158 T HN 0.856 nan 8.240 nan 0.000 0.496 159 A N 2.814 125.636 122.820 0.002 0.000 2.381 159 A HA 0.850 5.170 4.320 0.001 0.000 0.299 159 A C -1.334 176.367 177.584 0.195 0.000 1.049 159 A CA -0.524 51.557 52.037 0.074 0.000 0.715 159 A CB 0.795 19.808 19.000 0.022 0.000 1.222 159 A HN 0.740 nan 8.150 nan 0.000 0.428 160 L N 1.056 122.421 121.223 0.236 0.000 2.235 160 L HA 0.698 5.038 4.340 0.001 0.000 0.260 160 L C -0.919 176.118 176.870 0.279 0.000 1.025 160 L CA -1.163 53.851 54.840 0.291 0.000 0.836 160 L CB 1.920 44.153 42.059 0.290 0.000 1.395 160 L HN 0.657 nan 8.230 nan 0.000 0.443 161 L N 1.462 122.809 121.223 0.205 0.000 2.345 161 L HA 0.477 4.817 4.340 0.001 0.000 0.274 161 L C -0.458 176.395 176.870 -0.028 0.000 0.999 161 L CA -0.097 54.794 54.840 0.085 0.000 0.849 161 L CB 1.081 43.139 42.059 -0.002 0.000 1.220 161 L HN 0.466 nan 8.230 nan 0.000 0.422 162 R N 5.468 125.928 120.500 -0.066 0.000 2.221 162 R HA 0.498 4.839 4.340 0.001 0.000 0.327 162 R C -1.097 175.034 176.300 -0.280 0.000 1.033 162 R CA -0.624 55.269 56.100 -0.345 0.000 0.887 162 R CB 0.714 30.570 30.300 -0.740 0.000 1.057 162 R HN 0.632 nan 8.270 nan 0.000 0.455 163 I N 5.556 125.886 120.570 -0.400 0.000 2.330 163 I HA 0.205 4.375 4.170 0.001 0.000 0.289 163 I C 1.340 177.280 176.117 -0.295 0.000 1.001 163 I CA 0.594 61.664 61.300 -0.384 0.000 1.193 163 I CB 0.594 38.225 38.000 -0.615 0.000 1.345 163 I HN 1.052 nan 8.210 nan 0.000 0.461 164 G N 7.728 116.382 108.800 -0.245 0.000 2.698 164 G HA2 -0.371 3.589 3.960 0.001 0.000 0.337 164 G HA3 -0.371 3.589 3.960 0.001 0.000 0.337 164 G C 0.249 175.015 174.900 -0.224 0.000 1.196 164 G CA 0.650 45.629 45.100 -0.202 0.000 0.965 164 G HN 0.645 nan 8.290 nan 0.000 0.550 165 N N 1.800 120.379 118.700 -0.203 0.000 2.813 165 N HA 0.542 5.283 4.740 0.001 0.000 0.282 165 N C -1.353 174.024 175.510 -0.222 0.000 1.748 165 N CA -0.112 52.807 53.050 -0.219 0.000 0.860 165 N CB 1.298 39.704 38.487 -0.134 0.000 1.204 165 N HN 0.519 nan 8.380 nan 0.000 0.490 166 D N -0.158 120.045 120.400 -0.327 0.000 2.745 166 D HA 0.116 4.756 4.640 0.001 0.000 0.221 166 D C -1.276 174.817 176.300 -0.345 0.000 1.237 166 D CA -0.391 53.468 54.000 -0.235 0.000 0.781 166 D CB 1.468 42.203 40.800 -0.110 0.000 1.575 166 D HN 0.151 nan 8.370 nan 0.000 0.482 167 W N 2.458 123.708 121.300 -0.084 0.000 2.308 167 W HA 0.415 5.075 4.660 0.000 0.000 0.311 167 W C -0.104 176.366 176.519 -0.082 0.000 1.088 167 W CA -0.513 56.775 57.345 -0.095 0.000 1.309 167 W CB 0.969 30.390 29.460 -0.065 0.000 1.229 167 W HN 0.158 nan 8.180 nan 0.000 0.427 168 C N 5.027 124.383 119.300 0.092 0.000 2.382 168 C HA 0.508 4.968 4.460 0.001 0.000 0.327 168 C C 0.520 175.537 174.990 0.044 0.000 1.250 168 C CA -0.940 58.098 59.018 0.033 0.000 1.707 168 C CB 0.397 27.983 27.740 -0.256 0.000 2.272 168 C HN 0.456 nan 8.230 nan 0.000 0.506 169 I N 6.118 126.677 120.570 -0.019 0.000 2.308 169 I HA 0.190 4.360 4.170 0.001 0.000 0.293 169 I C -1.648 174.360 176.117 -0.181 0.000 1.078 169 I CA -1.327 59.799 61.300 -0.290 0.000 1.292 169 I CB 0.745 38.371 38.000 -0.623 0.000 1.423 169 I HN 0.434 nan 8.210 nan 0.000 0.493 170 P HA 0.024 nan 4.420 nan 0.000 0.269 170 P C -0.883 176.419 177.300 0.002 0.000 1.211 170 P CA 0.068 63.213 63.100 0.075 0.000 0.781 170 P CB 0.906 32.670 31.700 0.108 0.000 0.877 171 K N 0.420 120.851 120.400 0.052 0.000 2.340 171 K HA 0.520 4.841 4.320 0.001 0.000 0.244 171 K C 1.026 177.627 176.600 0.003 0.000 0.973 171 K CA -0.385 55.901 56.287 -0.002 0.000 0.828 171 K CB 1.309 33.783 32.500 -0.042 0.000 1.226 171 K HN 0.679 nan 8.250 nan 0.000 0.437 172 G N 1.523 110.306 108.800 -0.027 0.000 2.692 172 G HA2 -0.345 3.616 3.960 0.001 0.000 0.339 172 G HA3 -0.345 3.616 3.960 0.001 0.000 0.339 172 G C 0.430 175.322 174.900 -0.013 0.000 1.226 172 G CA 1.170 46.250 45.100 -0.034 0.000 0.979 172 G HN 0.649 nan 8.290 nan 0.000 0.549 173 I N -0.446 120.110 120.570 -0.023 0.000 3.736 173 I HA 0.465 4.635 4.170 0.001 0.000 0.338 173 I C 0.570 176.684 176.117 -0.006 0.000 1.558 173 I CA -0.453 60.830 61.300 -0.029 0.000 1.147 173 I CB 0.205 38.153 38.000 -0.086 0.000 1.275 173 I HN 0.174 nan 8.210 nan 0.000 0.454 174 T N 4.375 118.948 114.554 0.030 0.000 2.799 174 T HA 0.262 4.613 4.350 0.001 0.000 0.296 174 T C -2.401 172.315 174.700 0.027 0.000 0.947 174 T CA -0.653 61.480 62.100 0.055 0.000 1.141 174 T CB 0.195 69.146 68.868 0.139 0.000 0.891 174 T HN 0.116 nan 8.240 nan 0.000 0.533 175 P HA 0.139 nan 4.420 nan 0.000 0.271 175 P C 0.311 177.582 177.300 -0.048 0.000 1.226 175 P CA -0.349 62.716 63.100 -0.059 0.000 0.765 175 P CB 0.079 31.702 31.700 -0.129 0.000 0.835 176 T N -0.559 113.998 114.554 0.004 0.000 2.918 176 T HA 0.196 4.546 4.350 0.001 0.000 0.302 176 T C 1.220 175.933 174.700 0.020 0.000 1.045 176 T CA -0.069 62.063 62.100 0.054 0.000 1.114 176 T CB 0.243 69.170 68.868 0.100 0.000 0.965 176 T HN 0.478 nan 8.240 nan 0.000 0.540 177 T N -2.017 112.601 114.554 0.107 0.000 3.023 177 T HA 0.257 4.607 4.350 0.001 0.000 0.253 177 T C 0.129 174.886 174.700 0.096 0.000 1.038 177 T CA -0.031 62.132 62.100 0.104 0.000 0.962 177 T CB -0.254 68.737 68.868 0.205 0.000 1.018 177 T HN 0.777 nan 8.240 nan 0.000 0.521 178 H N -0.724 118.405 119.070 0.098 0.000 2.960 178 H HA 0.708 5.265 4.556 0.001 0.000 0.338 178 H C -1.222 174.140 175.328 0.056 0.000 1.261 178 H CA -1.205 54.917 56.048 0.122 0.000 1.136 178 H CB 1.676 31.616 29.762 0.295 0.000 1.875 178 H HN 0.077 nan 8.280 nan 0.000 0.550 179 I N 2.268 122.931 120.570 0.154 0.000 2.641 179 I HA 0.192 4.362 4.170 0.001 0.000 0.275 179 I C -0.937 175.213 176.117 0.055 0.000 1.129 179 I CA -0.397 60.932 61.300 0.049 0.000 1.094 179 I CB 0.596 38.573 38.000 -0.038 0.000 1.232 179 I HN 0.286 nan 8.210 nan 0.000 0.503 180 I N 5.703 126.288 120.570 0.025 0.000 2.389 180 I HA 0.107 4.277 4.170 0.001 0.000 0.295 180 I C 0.367 176.472 176.117 -0.019 0.000 1.117 180 I CA 0.225 61.510 61.300 -0.025 0.000 1.317 180 I CB -0.293 37.624 38.000 -0.138 0.000 1.431 180 I HN 0.317 nan 8.210 nan 0.000 0.521 181 K N 6.010 126.413 120.400 0.005 0.000 2.156 181 K HA 0.589 4.910 4.320 0.001 0.000 0.271 181 K C -0.783 175.820 176.600 0.005 0.000 0.995 181 K CA -0.721 55.569 56.287 0.005 0.000 0.890 181 K CB 1.385 33.898 32.500 0.021 0.000 1.073 181 K HN 0.289 nan 8.250 nan 0.000 0.454 182 L N 3.398 124.621 121.223 -0.001 0.000 2.344 182 L HA 0.365 4.705 4.340 0.001 0.000 0.272 182 L C -2.126 174.730 176.870 -0.024 0.000 1.035 182 L CA -2.602 52.237 54.840 -0.000 0.000 0.807 182 L CB 1.131 43.205 42.059 0.024 0.000 1.237 182 L HN 0.415 nan 8.230 nan 0.000 0.442 183 P HA 0.225 nan 4.420 nan 0.000 0.231 183 P C -0.821 176.430 177.300 -0.081 0.000 1.756 183 P CA 0.325 63.401 63.100 -0.041 0.000 0.990 183 P CB -0.379 31.303 31.700 -0.030 0.000 1.973 184 I N -2.643 117.866 120.570 -0.102 0.000 2.722 184 I HA 0.868 5.038 4.170 0.001 0.000 0.292 184 I C 0.036 176.089 176.117 -0.106 0.000 1.267 184 I CA -0.917 60.297 61.300 -0.142 0.000 1.036 184 I CB 2.184 40.017 38.000 -0.278 0.000 1.281 184 I HN 0.300 nan 8.210 nan 0.000 0.423 185 G N 4.555 113.303 108.800 -0.087 0.000 2.270 185 G HA2 0.105 4.065 3.960 0.001 0.000 0.268 185 G HA3 0.105 4.065 3.960 0.001 0.000 0.268 185 G C -1.657 173.223 174.900 -0.033 0.000 1.312 185 G CA -0.489 44.577 45.100 -0.058 0.000 1.050 185 G HN 0.949 nan 8.290 nan 0.000 0.474 186 E N -0.704 119.487 120.200 -0.015 0.000 2.249 186 E HA 0.829 5.179 4.350 0.001 0.000 0.263 186 E C -0.261 176.354 176.600 0.025 0.000 0.950 186 E CA -0.940 55.459 56.400 -0.001 0.000 0.827 186 E CB 2.448 32.145 29.700 -0.004 0.000 1.220 186 E HN 0.587 nan 8.360 nan 0.000 0.411 187 I N -0.816 119.773 120.570 0.030 0.000 3.516 187 I HA 0.498 4.668 4.170 0.001 0.000 0.307 187 I C 0.004 176.160 176.117 0.065 0.000 1.157 187 I CA -1.173 60.163 61.300 0.061 0.000 0.983 187 I CB 1.857 39.880 38.000 0.038 0.000 1.351 187 I HN 0.290 nan 8.210 nan 0.000 0.484 188 R N 0.331 120.892 120.500 0.101 0.000 3.150 188 R HA 0.774 5.114 4.340 0.001 0.000 0.236 188 R C -1.376 174.956 176.300 0.053 0.000 1.469 188 R CA -0.509 55.633 56.100 0.069 0.000 1.045 188 R CB 2.316 32.702 30.300 0.143 0.000 1.481 188 R HN 0.748 nan 8.270 nan 0.000 0.506 189 Q N -1.257 118.551 119.800 0.013 0.000 2.994 189 Q HA 0.068 4.409 4.340 0.001 0.000 0.325 189 Q C -2.906 173.070 176.000 -0.040 0.000 0.840 189 Q CA -0.855 54.963 55.803 0.026 0.000 0.940 189 Q CB 0.435 29.189 28.738 0.026 0.000 1.402 189 Q HN 0.364 nan 8.270 nan 0.000 0.535 190 P HA 0.172 nan 4.420 nan 0.000 0.276 190 P C -0.343 176.931 177.300 -0.043 0.000 1.243 190 P CA 0.615 63.694 63.100 -0.035 0.000 0.768 190 P CB 0.445 32.142 31.700 -0.005 0.000 0.856 191 N N 1.845 120.505 118.700 -0.066 0.000 2.853 191 N HA -0.264 4.477 4.740 0.001 0.000 0.239 191 N C -0.708 174.773 175.510 -0.049 0.000 0.967 191 N CA 1.750 54.768 53.050 -0.055 0.000 0.973 191 N CB -1.241 37.226 38.487 -0.033 0.000 1.104 191 N HN 0.506 nan 8.380 nan 0.000 0.602 192 A N -0.555 122.236 122.820 -0.048 0.000 2.343 192 A HA 0.662 4.983 4.320 0.001 0.000 0.308 192 A C 0.377 177.940 177.584 -0.034 0.000 1.092 192 A CA 0.060 52.077 52.037 -0.034 0.000 0.751 192 A CB 0.974 19.965 19.000 -0.016 0.000 1.203 192 A HN 0.402 nan 8.150 nan 0.000 0.452 193 T N 0.371 114.907 114.554 -0.030 0.000 2.788 193 T HA 0.707 5.057 4.350 0.001 0.000 0.280 193 T C -0.009 174.685 174.700 -0.010 0.000 0.984 193 T CA -0.483 61.604 62.100 -0.022 0.000 0.972 193 T CB 0.520 69.373 68.868 -0.025 0.000 1.039 193 T HN 0.470 nan 8.240 nan 0.000 0.530 194 L N 0.723 121.943 121.223 -0.004 0.000 2.401 194 L HA 0.566 4.907 4.340 0.001 0.000 0.266 194 L C -1.284 175.580 176.870 -0.010 0.000 0.991 194 L CA -0.979 53.858 54.840 -0.004 0.000 0.818 194 L CB 2.228 44.289 42.059 0.003 0.000 1.321 194 L HN 0.826 nan 8.230 nan 0.000 0.413 195 D N 2.735 123.127 120.400 -0.014 0.000 2.549 195 D HA 0.583 5.223 4.640 0.001 0.000 0.251 195 D C -0.717 175.571 176.300 -0.019 0.000 1.153 195 D CA -0.408 53.580 54.000 -0.020 0.000 0.861 195 D CB 1.411 42.197 40.800 -0.024 0.000 1.207 195 D HN 0.256 nan 8.370 nan 0.000 0.543 196 L N 2.391 123.600 121.223 -0.022 0.000 2.704 196 L HA 0.654 4.994 4.340 0.001 0.000 0.218 196 L C 1.614 178.464 176.870 -0.033 0.000 1.767 196 L CA -0.286 54.539 54.840 -0.024 0.000 2.905 196 L CB -1.324 40.723 42.059 -0.021 0.000 2.715 196 L HN 0.383 nan 8.230 nan 0.000 0.759 197 S N -0.998 114.679 115.700 -0.038 0.000 2.702 197 S HA 0.227 4.697 4.470 0.001 0.000 0.166 197 S C 0.340 174.900 174.600 -0.066 0.000 1.143 197 S CA -0.010 58.156 58.200 -0.058 0.000 1.904 197 S CB -0.429 62.731 63.200 -0.066 0.000 0.492 197 S HN 0.509 nan 8.310 nan 0.000 0.431 198 Q N 0.042 119.793 119.800 -0.082 0.000 2.347 198 Q HA 0.508 4.848 4.340 0.001 0.000 0.265 198 Q C 0.314 176.291 176.000 -0.037 0.000 1.024 198 Q CA -0.285 55.471 55.803 -0.079 0.000 0.731 198 Q CB 1.225 29.882 28.738 -0.135 0.000 1.245 198 Q HN 0.532 nan 8.270 nan 0.000 0.472 199 S N 1.945 117.636 115.700 -0.014 0.000 2.412 199 S HA -0.292 4.179 4.470 0.001 0.000 0.246 199 S C 1.695 176.333 174.600 0.062 0.000 1.073 199 S CA 2.417 60.628 58.200 0.019 0.000 1.186 199 S CB -0.666 62.539 63.200 0.009 0.000 1.084 199 S HN 0.697 nan 8.310 nan 0.000 0.434 200 V N 1.393 121.340 119.914 0.056 0.000 2.219 200 V HA -0.250 3.870 4.120 0.001 0.000 0.248 200 V C 1.938 178.153 176.094 0.202 0.000 1.053 200 V CA 2.275 64.640 62.300 0.108 0.000 1.009 200 V CB -1.298 30.559 31.823 0.057 0.000 0.636 200 V HN 0.346 nan 8.190 nan 0.000 0.445 201 D N 0.693 121.166 120.400 0.122 0.000 2.106 201 D HA -0.241 4.400 4.640 0.001 0.000 0.191 201 D C 2.234 178.814 176.300 0.467 0.000 0.997 201 D CA 1.996 56.140 54.000 0.240 0.000 0.834 201 D CB -0.567 39.934 40.800 -0.498 0.000 0.956 201 D HN 0.572 nan 8.370 nan 0.000 0.448 202 N N 1.372 120.202 118.700 0.217 0.000 2.018 202 N HA -0.226 4.514 4.740 0.001 0.000 0.196 202 N C 1.798 177.473 175.510 0.276 0.000 1.043 202 N CA 1.858 55.042 53.050 0.222 0.000 0.856 202 N CB -0.185 38.352 38.487 0.083 0.000 1.042 202 N HN 0.231 nan 8.380 nan 0.000 0.423 203 E N -0.706 119.625 120.200 0.219 0.000 2.038 203 E HA -0.250 4.100 4.350 0.001 0.000 0.195 203 E C 2.131 178.887 176.600 0.261 0.000 1.000 203 E CA 1.358 57.881 56.400 0.205 0.000 0.803 203 E CB -0.598 29.206 29.700 0.174 0.000 0.750 203 E HN 0.452 nan 8.360 nan 0.000 0.448 204 Y N 0.024 120.457 120.300 0.221 0.000 2.014 204 Y HA -0.368 4.182 4.550 0.001 0.000 0.272 204 Y C 2.203 178.224 175.900 0.202 0.000 1.164 204 Y CA 2.399 60.628 58.100 0.214 0.000 1.114 204 Y CB -1.151 37.468 38.460 0.265 0.000 0.961 204 Y HN 0.294 nan 8.280 nan 0.000 0.489 205 Y N 0.044 120.465 120.300 0.201 0.000 2.030 205 Y HA -0.427 4.123 4.550 0.001 0.000 0.272 205 Y C 2.713 178.608 175.900 -0.010 0.000 1.185 205 Y CA 2.094 60.215 58.100 0.035 0.000 1.120 205 Y CB -1.150 37.429 38.460 0.198 0.000 0.955 205 Y HN 0.325 nan 8.280 nan 0.000 0.495 206 C N 0.134 119.539 119.300 0.175 0.000 2.401 206 C HA -0.224 4.237 4.460 0.001 0.000 0.276 206 C C 2.843 177.881 174.990 0.079 0.000 1.233 206 C CA 1.344 60.428 59.018 0.109 0.000 1.753 206 C CB -1.553 26.264 27.740 0.129 0.000 2.029 206 C HN 0.608 nan 8.230 nan 0.000 0.478 207 L N -0.117 121.106 121.223 0.000 0.000 2.109 207 L HA -0.107 4.233 4.340 0.001 0.000 0.207 207 L C 2.567 179.335 176.870 -0.170 0.000 1.086 207 L CA 1.174 55.989 54.840 -0.040 0.000 0.760 207 L CB -0.663 41.366 42.059 -0.049 0.000 0.910 207 L HN 0.388 nan 8.230 nan 0.000 0.437 208 L N -0.377 120.640 121.223 -0.343 0.000 2.079 208 L HA -0.250 4.090 4.340 0.001 0.000 0.210 208 L C 2.605 179.315 176.870 -0.267 0.000 1.081 208 L CA 1.048 55.668 54.840 -0.367 0.000 0.752 208 L CB -0.383 41.386 42.059 -0.483 0.000 0.896 208 L HN 0.284 nan 8.230 nan 0.000 0.433 209 L N -0.090 120.969 121.223 -0.275 0.000 2.044 209 L HA -0.091 4.249 4.340 0.001 0.000 0.205 209 L C 2.663 179.501 176.870 -0.053 0.000 1.075 209 L CA 1.838 56.586 54.840 -0.153 0.000 0.747 209 L CB -0.599 41.395 42.059 -0.110 0.000 0.903 209 L HN 0.122 nan 8.230 nan 0.000 0.435 210 A N -0.281 122.519 122.820 -0.033 0.000 1.859 210 A HA -0.320 4.000 4.320 0.001 0.000 0.217 210 A C 2.483 179.911 177.584 -0.260 0.000 1.198 210 A CA 2.382 54.213 52.037 -0.344 0.000 0.629 210 A CB -0.791 18.082 19.000 -0.212 0.000 0.830 210 A HN 0.496 nan 8.150 nan 0.000 0.446 211 K N -0.765 119.540 120.400 -0.158 0.000 2.002 211 K HA -0.224 4.096 4.320 0.001 0.000 0.209 211 K C 2.102 178.633 176.600 -0.114 0.000 1.048 211 K CA 1.824 58.039 56.287 -0.120 0.000 0.930 211 K CB -0.188 32.254 32.500 -0.096 0.000 0.714 211 K HN 0.449 nan 8.250 nan 0.000 0.438 212 E N 0.807 120.938 120.200 -0.116 0.000 2.273 212 E HA -0.150 4.200 4.350 0.001 0.000 0.198 212 E C 1.057 177.604 176.600 -0.089 0.000 1.002 212 E CA 0.913 57.257 56.400 -0.094 0.000 0.828 212 E CB -0.054 29.586 29.700 -0.099 0.000 0.747 212 E HN 0.289 nan 8.360 nan 0.000 0.491 213 L N -0.172 120.983 121.223 -0.113 0.000 2.805 213 L HA 0.254 4.594 4.340 0.001 0.000 0.237 213 L C 0.873 177.642 176.870 -0.168 0.000 1.252 213 L CA 0.196 54.959 54.840 -0.127 0.000 1.064 213 L CB -0.210 41.789 42.059 -0.101 0.000 1.361 213 L HN 0.382 nan 8.230 nan 0.000 0.474 214 G N 0.622 109.346 108.800 -0.127 0.000 2.361 214 G HA2 -0.304 3.657 3.960 0.001 0.000 0.294 214 G HA3 -0.304 3.657 3.960 0.001 0.000 0.294 214 G C 0.101 174.932 174.900 -0.114 0.000 1.004 214 G CA 0.378 45.414 45.100 -0.105 0.000 0.870 214 G HN 0.363 nan 8.290 nan 0.000 0.510 215 L N -0.590 120.537 121.223 -0.160 0.000 2.322 215 L HA 0.361 4.701 4.340 0.001 0.000 0.279 215 L C 0.756 177.574 176.870 -0.087 0.000 1.036 215 L CA -0.852 53.888 54.840 -0.167 0.000 0.807 215 L CB 1.626 43.464 42.059 -0.369 0.000 1.226 215 L HN 0.255 nan 8.230 nan 0.000 0.433 216 N N 2.360 121.058 118.700 -0.003 0.000 2.401 216 N HA 0.411 5.151 4.740 0.001 0.000 0.255 216 N C -0.919 174.616 175.510 0.041 0.000 1.110 216 N CA -0.429 52.636 53.050 0.026 0.000 0.949 216 N CB 0.755 39.272 38.487 0.051 0.000 1.110 216 N HN 0.445 nan 8.380 nan 0.000 0.490 217 V N 1.414 121.332 119.914 0.006 0.000 3.182 217 V HA 0.696 4.816 4.120 0.001 0.000 0.308 217 V C -2.579 173.544 176.094 0.048 0.000 1.240 217 V CA -1.840 60.477 62.300 0.029 0.000 1.063 217 V CB 1.362 33.213 31.823 0.047 0.000 1.076 217 V HN 0.487 nan 8.190 nan 0.000 0.446 218 P HA 0.280 nan 4.420 nan 0.000 0.274 218 P C -1.019 176.359 177.300 0.129 0.000 1.237 218 P CA -0.043 63.167 63.100 0.182 0.000 0.793 218 P CB 0.610 32.498 31.700 0.314 0.000 0.977 219 D N 0.428 120.903 120.400 0.125 0.000 2.317 219 D HA 0.418 5.059 4.640 0.001 0.000 0.252 219 D C -0.223 176.169 176.300 0.153 0.000 1.174 219 D CA 0.530 54.599 54.000 0.115 0.000 0.866 219 D CB 1.002 41.865 40.800 0.105 0.000 1.127 219 D HN 0.420 nan 8.370 nan 0.000 0.467 220 A N 3.026 125.957 122.820 0.186 0.000 2.520 220 A HA 0.567 4.887 4.320 0.001 0.000 0.298 220 A C -0.760 177.056 177.584 0.387 0.000 1.051 220 A CA -0.831 51.366 52.037 0.266 0.000 0.690 220 A CB 1.815 20.967 19.000 0.253 0.000 1.281 220 A HN 0.578 nan 8.150 nan 0.000 0.402 221 E N 1.634 122.054 120.200 0.366 0.000 2.343 221 E HA 0.712 5.062 4.350 0.001 0.000 0.270 221 E C -1.302 175.374 176.600 0.126 0.000 0.895 221 E CA -0.837 55.746 56.400 0.305 0.000 0.767 221 E CB 1.538 31.368 29.700 0.217 0.000 1.248 221 E HN 0.521 nan 8.360 nan 0.000 0.440 222 I N 3.093 123.573 120.570 -0.149 0.000 2.474 222 I HA 0.299 4.470 4.170 0.001 0.000 0.287 222 I C 0.382 176.482 176.117 -0.028 0.000 1.048 222 I CA -0.608 60.611 61.300 -0.134 0.000 1.383 222 I CB 0.432 38.262 38.000 -0.282 0.000 1.412 222 I HN 0.576 nan 8.210 nan 0.000 0.531 223 I N 3.200 123.772 120.570 0.003 0.000 3.108 223 I HA 0.660 4.830 4.170 0.001 0.000 0.312 223 I C -0.927 175.185 176.117 -0.009 0.000 1.095 223 I CA -0.954 60.360 61.300 0.023 0.000 1.000 223 I CB 2.233 40.254 38.000 0.034 0.000 1.229 223 I HN 0.536 nan 8.210 nan 0.000 0.454 224 K N 3.481 123.882 120.400 0.001 0.000 2.637 224 K HA 0.713 5.033 4.320 0.001 0.000 0.248 224 K C -1.495 175.098 176.600 -0.012 0.000 0.971 224 K CA -0.561 55.719 56.287 -0.011 0.000 0.858 224 K CB 1.876 34.375 32.500 -0.001 0.000 1.170 224 K HN 0.855 nan 8.250 nan 0.000 0.443 225 A N 3.825 126.623 122.820 -0.036 0.000 2.937 225 A HA 0.631 4.951 4.320 0.001 0.000 0.338 225 A C 0.779 178.348 177.584 -0.025 0.000 1.273 225 A CA 0.297 52.313 52.037 -0.035 0.000 0.937 225 A CB -0.273 18.681 19.000 -0.076 0.000 1.133 225 A HN 1.131 nan 8.150 nan 0.000 0.491 226 G N 1.894 110.688 108.800 -0.011 0.000 3.226 226 G HA2 -0.314 3.647 3.960 0.001 0.000 0.270 226 G HA3 -0.314 3.647 3.960 0.001 0.000 0.270 226 G C 0.497 175.391 174.900 -0.010 0.000 1.592 226 G CA 0.256 45.350 45.100 -0.010 0.000 1.055 226 G HN 1.021 nan 8.290 nan 0.000 0.582 227 N N 0.544 119.236 118.700 -0.013 0.000 2.200 227 N HA 0.300 5.041 4.740 0.001 0.000 0.224 227 N C -0.117 175.388 175.510 -0.009 0.000 1.179 227 N CA 0.334 53.379 53.050 -0.010 0.000 0.877 227 N CB 2.093 40.575 38.487 -0.008 0.000 1.072 227 N HN 0.452 nan 8.380 nan 0.000 0.519 228 V N 1.856 121.761 119.914 -0.015 0.000 2.334 228 V HA 0.231 4.352 4.120 0.001 0.000 0.267 228 V C 0.500 176.583 176.094 -0.019 0.000 1.040 228 V CA -0.586 61.706 62.300 -0.012 0.000 0.866 228 V CB 1.170 32.978 31.823 -0.025 0.000 1.019 228 V HN 0.176 nan 8.190 nan 0.000 0.468 229 R N 3.774 124.266 120.500 -0.013 0.000 2.296 229 R HA 0.649 4.989 4.340 0.001 0.000 0.327 229 R C -0.145 176.146 176.300 -0.015 0.000 1.137 229 R CA 0.020 56.109 56.100 -0.018 0.000 1.020 229 R CB 1.059 31.346 30.300 -0.021 0.000 1.110 229 R HN 0.829 nan 8.270 nan 0.000 0.499 230 A N 4.017 126.822 122.820 -0.026 0.000 2.350 230 A HA 0.585 4.905 4.320 0.001 0.000 0.318 230 A C -1.198 176.382 177.584 -0.007 0.000 1.132 230 A CA -0.777 51.247 52.037 -0.022 0.000 0.811 230 A CB 1.438 20.406 19.000 -0.053 0.000 1.313 230 A HN 0.677 nan 8.150 nan 0.000 0.454 231 L N 0.773 122.011 121.223 0.025 0.000 2.325 231 L HA 0.823 5.164 4.340 0.001 0.000 0.278 231 L C -0.121 176.801 176.870 0.086 0.000 1.023 231 L CA -0.321 54.566 54.840 0.078 0.000 0.811 231 L CB 1.684 43.823 42.059 0.132 0.000 1.249 231 L HN 0.850 nan 8.230 nan 0.000 0.431 232 A N 5.075 127.987 122.820 0.154 0.000 2.335 232 A HA 0.710 5.031 4.320 0.001 0.000 0.304 232 A C -1.274 176.513 177.584 0.338 0.000 1.118 232 A CA -0.519 51.661 52.037 0.238 0.000 0.757 232 A CB 1.391 20.562 19.000 0.285 0.000 1.188 232 A HN 0.473 nan 8.150 nan 0.000 0.460 233 V N 2.123 122.190 119.914 0.255 0.000 2.435 233 V HA 0.308 4.428 4.120 0.001 0.000 0.290 233 V C 0.554 176.636 176.094 -0.021 0.000 1.030 233 V CA -0.632 61.766 62.300 0.163 0.000 0.881 233 V CB 1.536 33.428 31.823 0.116 0.000 0.983 233 V HN 0.987 nan 8.190 nan 0.000 0.445 234 E N 5.245 125.380 120.200 -0.109 0.000 1.939 234 E HA 0.072 4.422 4.350 0.001 0.000 0.259 234 E C 0.182 176.662 176.600 -0.200 0.000 1.259 234 E CA -0.408 55.762 56.400 -0.383 0.000 0.971 234 E CB 0.044 29.659 29.700 -0.142 0.000 1.055 234 E HN 0.477 nan 8.360 nan 0.000 0.420 235 R N 2.887 123.219 120.500 -0.281 0.000 2.489 235 R HA -0.170 4.171 4.340 0.001 0.000 0.287 235 R C 0.453 176.664 176.300 -0.148 0.000 0.902 235 R CA 0.501 56.436 56.100 -0.276 0.000 1.136 235 R CB -0.107 30.044 30.300 -0.249 0.000 0.872 235 R HN 0.541 nan 8.270 nan 0.000 0.421 236 F N 0.429 120.378 119.950 -0.002 0.000 2.645 236 F HA 0.215 4.743 4.527 0.001 0.000 0.300 236 F C 0.356 176.264 175.800 0.180 0.000 1.115 236 F CA -0.943 57.109 58.000 0.087 0.000 1.355 236 F CB 0.078 39.159 39.000 0.135 0.000 1.026 236 F HN 0.379 nan 8.300 nan 0.000 0.536 237 D N -0.141 120.270 120.400 0.018 0.000 2.696 237 D HA 0.200 4.841 4.640 0.001 0.000 0.269 237 D C -0.010 176.303 176.300 0.022 0.000 1.319 237 D CA -0.107 53.963 54.000 0.116 0.000 0.826 237 D CB 0.146 40.911 40.800 -0.058 0.000 1.086 237 D HN 0.105 nan 8.370 nan 0.000 0.481 238 R N 0.719 121.219 120.500 -0.001 0.000 2.564 238 R HA 0.575 4.916 4.340 0.001 0.000 0.284 238 R C -0.986 175.273 176.300 -0.069 0.000 1.031 238 R CA -0.500 55.553 56.100 -0.078 0.000 0.904 238 R CB 2.732 32.952 30.300 -0.132 0.000 1.199 238 R HN 0.150 nan 8.270 nan 0.000 0.443 239 R N 2.214 122.644 120.500 -0.116 0.000 2.561 239 R HA 0.279 4.619 4.340 0.001 0.000 0.266 239 R C -1.270 174.980 176.300 -0.082 0.000 1.091 239 R CA -0.562 55.505 56.100 -0.055 0.000 0.927 239 R CB 1.384 31.692 30.300 0.012 0.000 1.240 239 R HN 0.501 nan 8.270 nan 0.000 0.449 240 W N 2.242 123.551 121.300 0.016 0.000 2.183 240 W HA 0.297 4.958 4.660 0.001 0.000 0.348 240 W C 1.270 177.799 176.519 0.016 0.000 1.257 240 W CA 0.005 57.360 57.345 0.017 0.000 1.324 240 W CB 0.341 29.807 29.460 0.009 0.000 1.144 240 W HN 0.435 nan 8.180 nan 0.000 0.622 241 N N 0.585 119.479 118.700 0.324 0.000 2.267 241 N HA -0.062 4.678 4.740 0.001 0.000 0.226 241 N C 1.130 176.728 175.510 0.146 0.000 1.314 241 N CA 0.805 53.963 53.050 0.181 0.000 0.887 241 N CB 0.877 39.457 38.487 0.155 0.000 1.120 241 N HN 0.587 nan 8.380 nan 0.000 0.440 242 A N 1.024 123.897 122.820 0.089 0.000 2.093 242 A HA -0.173 4.147 4.320 0.001 0.000 0.222 242 A C 1.176 178.787 177.584 0.045 0.000 1.162 242 A CA 1.808 53.880 52.037 0.059 0.000 0.655 242 A CB -0.281 18.742 19.000 0.039 0.000 0.805 242 A HN 0.805 nan 8.150 nan 0.000 0.461 243 E N -2.325 117.903 120.200 0.047 0.000 2.714 243 E HA 0.279 4.629 4.350 0.001 0.000 0.219 243 E C -0.228 176.356 176.600 -0.026 0.000 0.979 243 E CA -0.441 55.964 56.400 0.009 0.000 1.092 243 E CB 0.179 29.884 29.700 0.007 0.000 1.049 243 E HN 0.268 nan 8.360 nan 0.000 0.487 244 R N -0.086 120.417 120.500 0.004 0.000 3.527 244 R HA -0.110 4.230 4.340 0.001 0.000 0.288 244 R C 0.676 176.950 176.300 -0.045 0.000 1.146 244 R CA 1.201 57.218 56.100 -0.138 0.000 0.778 244 R CB -3.280 26.773 30.300 -0.413 0.000 1.289 244 R HN 0.336 nan 8.270 nan 0.000 0.454 245 T N -2.556 112.077 114.554 0.132 0.000 2.983 245 T HA 0.268 4.618 4.350 0.001 0.000 0.250 245 T C 0.808 175.676 174.700 0.280 0.000 1.037 245 T CA 0.987 63.175 62.100 0.146 0.000 1.142 245 T CB 0.532 69.464 68.868 0.107 0.000 0.876 245 T HN 0.066 nan 8.240 nan 0.000 0.455 246 V N 2.004 122.128 119.914 0.351 0.000 2.709 246 V HA 0.543 4.664 4.120 0.001 0.000 0.308 246 V C -1.249 175.017 176.094 0.287 0.000 1.062 246 V CA -1.277 61.210 62.300 0.312 0.000 0.901 246 V CB 2.341 34.262 31.823 0.163 0.000 1.003 246 V HN 0.166 nan 8.190 nan 0.000 0.425 247 L N 5.555 126.755 121.223 -0.038 0.000 2.270 247 L HA 0.543 4.883 4.340 0.001 0.000 0.286 247 L C -0.478 176.227 176.870 -0.274 0.000 1.059 247 L CA 0.353 54.856 54.840 -0.563 0.000 0.839 247 L CB 0.016 41.296 42.059 -1.299 0.000 1.221 247 L HN 0.541 nan 8.230 nan 0.000 0.431 248 L N 4.552 125.678 121.223 -0.162 0.000 2.416 248 L HA 0.544 4.884 4.340 0.001 0.000 0.262 248 L C 0.486 177.308 176.870 -0.080 0.000 1.093 248 L CA -0.850 53.949 54.840 -0.069 0.000 0.801 248 L CB 1.141 43.200 42.059 0.000 0.000 1.191 248 L HN 0.562 nan 8.230 nan 0.000 0.459 249 R N 0.762 121.250 120.500 -0.021 0.000 2.758 249 R HA 0.681 5.021 4.340 0.001 0.000 0.265 249 R C -1.148 175.186 176.300 0.057 0.000 1.016 249 R CA -0.702 55.398 56.100 0.000 0.000 1.040 249 R CB 1.313 31.619 30.300 0.010 0.000 1.152 249 R HN 0.427 nan 8.270 nan 0.000 0.503 250 L N 2.709 123.990 121.223 0.095 0.000 2.353 250 L HA 0.393 4.734 4.340 0.001 0.000 0.270 250 L C -2.295 174.711 176.870 0.228 0.000 1.003 250 L CA -2.340 52.611 54.840 0.185 0.000 0.862 250 L CB 1.720 43.953 42.059 0.290 0.000 1.221 250 L HN 0.285 nan 8.230 nan 0.000 0.430 251 P HA -0.088 nan 4.420 nan 0.000 0.257 251 P C -0.817 176.613 177.300 0.217 0.000 1.162 251 P CA 0.753 63.966 63.100 0.189 0.000 0.762 251 P CB 0.368 32.191 31.700 0.204 0.000 0.753 252 Q N 2.448 122.322 119.800 0.123 0.000 2.482 252 Q HA 0.445 4.786 4.340 0.001 0.000 0.286 252 Q C -1.561 174.452 176.000 0.023 0.000 1.007 252 Q CA -0.743 55.084 55.803 0.040 0.000 0.801 252 Q CB 2.362 31.064 28.738 -0.059 0.000 1.455 252 Q HN 0.568 nan 8.270 nan 0.000 0.398 253 E N 0.650 120.846 120.200 -0.006 0.000 2.423 253 E HA 0.400 4.750 4.350 0.001 0.000 0.280 253 E C -1.511 175.061 176.600 -0.046 0.000 1.030 253 E CA -0.762 55.637 56.400 -0.001 0.000 0.812 253 E CB 1.373 31.135 29.700 0.103 0.000 1.313 253 E HN 0.627 nan 8.360 nan 0.000 0.456 254 D N 0.824 121.186 120.400 -0.064 0.000 2.539 254 D HA 0.177 4.817 4.640 0.001 0.000 0.280 254 D C 0.845 177.042 176.300 -0.172 0.000 1.208 254 D CA -0.633 53.340 54.000 -0.046 0.000 1.088 254 D CB 0.340 41.148 40.800 0.013 0.000 1.149 254 D HN 0.378 nan 8.370 nan 0.000 0.596 255 M N -0.496 119.008 119.600 -0.161 0.000 2.561 255 M HA 0.130 4.610 4.480 0.001 0.000 0.238 255 M C 1.083 177.087 176.300 -0.493 0.000 1.131 255 M CA -0.076 54.949 55.300 -0.458 0.000 1.046 255 M CB -1.013 31.422 32.600 -0.275 0.000 1.532 255 M HN 0.508 nan 8.290 nan 0.000 0.497 256 C N -0.096 119.065 119.300 -0.230 0.000 2.525 256 C HA 0.015 4.476 4.460 0.001 0.000 0.291 256 C C 2.552 177.466 174.990 -0.127 0.000 1.351 256 C CA 0.398 59.340 59.018 -0.126 0.000 1.771 256 C CB -0.189 27.525 27.740 -0.043 0.000 2.177 256 C HN 0.559 nan 8.230 nan 0.000 0.510 257 Q N -0.701 119.018 119.800 -0.134 0.000 2.187 257 Q HA -0.125 4.215 4.340 0.001 0.000 0.199 257 Q C 2.119 178.057 176.000 -0.104 0.000 0.957 257 Q CA 1.460 57.246 55.803 -0.028 0.000 0.857 257 Q CB -0.466 28.321 28.738 0.082 0.000 0.929 257 Q HN 0.548 nan 8.270 nan 0.000 0.453 258 T N 0.328 114.681 114.554 -0.334 0.000 2.803 258 T HA -0.120 4.231 4.350 0.001 0.000 0.269 258 T C 0.855 175.334 174.700 -0.369 0.000 1.052 258 T CA 1.185 62.987 62.100 -0.496 0.000 1.136 258 T CB -0.145 68.168 68.868 -0.924 0.000 0.864 258 T HN 0.315 nan 8.240 nan 0.000 0.467 259 F N -0.287 119.554 119.950 -0.182 0.000 2.641 259 F HA 0.363 4.890 4.527 0.000 0.000 0.302 259 F C 1.826 177.599 175.800 -0.046 0.000 1.098 259 F CA -0.315 57.606 58.000 -0.132 0.000 1.318 259 F CB 0.290 39.203 39.000 -0.146 0.000 1.035 259 F HN 0.271 nan 8.300 nan 0.000 0.551 260 G N 1.541 110.409 108.800 0.113 0.000 2.175 260 G HA2 -0.318 3.643 3.960 0.001 0.000 0.265 260 G HA3 -0.318 3.643 3.960 0.001 0.000 0.265 260 G C 0.285 175.251 174.900 0.110 0.000 0.979 260 G CA -0.042 45.122 45.100 0.107 0.000 0.663 260 G HN 0.294 nan 8.290 nan 0.000 0.533 261 L N 0.435 121.728 121.223 0.116 0.000 2.436 261 L HA 0.343 4.683 4.340 0.001 0.000 0.265 261 L C -1.367 175.549 176.870 0.077 0.000 1.168 261 L CA -1.927 52.974 54.840 0.102 0.000 0.815 261 L CB 0.491 42.623 42.059 0.123 0.000 1.109 261 L HN -0.062 nan 8.230 nan 0.000 0.462 262 P HA 0.030 nan 4.420 nan 0.000 0.277 262 P C 0.443 177.769 177.300 0.043 0.000 1.276 262 P CA -0.312 62.832 63.100 0.075 0.000 0.788 262 P CB 0.631 32.379 31.700 0.079 0.000 1.114 263 S N -0.423 115.296 115.700 0.032 0.000 2.377 263 S HA -0.112 4.359 4.470 0.001 0.000 0.223 263 S C 1.882 176.491 174.600 0.016 0.000 1.030 263 S CA 1.832 60.034 58.200 0.004 0.000 0.970 263 S CB -1.356 61.838 63.200 -0.009 0.000 0.830 263 S HN 0.504 nan 8.310 nan 0.000 0.473 264 S N 2.296 118.016 115.700 0.033 0.000 2.377 264 S HA -0.148 4.323 4.470 0.001 0.000 0.224 264 S C 1.476 176.107 174.600 0.052 0.000 1.042 264 S CA 1.510 59.732 58.200 0.036 0.000 1.086 264 S CB -1.821 61.399 63.200 0.034 0.000 0.995 264 S HN 0.955 nan 8.310 nan 0.000 0.428 265 V N 2.161 122.108 119.914 0.055 0.000 2.588 265 V HA 0.246 4.366 4.120 0.001 0.000 0.329 265 V C 1.411 177.551 176.094 0.076 0.000 1.688 265 V CA 0.443 62.785 62.300 0.069 0.000 1.686 265 V CB -1.580 30.280 31.823 0.061 0.000 1.383 265 V HN 0.700 nan 8.190 nan 0.000 0.492 266 K N -0.683 119.764 120.400 0.078 0.000 2.323 266 K HA 0.100 4.421 4.320 0.001 0.000 0.197 266 K C -0.003 176.607 176.600 0.018 0.000 1.043 266 K CA -0.131 56.172 56.287 0.028 0.000 0.997 266 K CB 0.097 32.548 32.500 -0.081 0.000 0.807 266 K HN 0.476 nan 8.250 nan 0.000 0.497 267 Y N 2.812 123.125 120.300 0.022 0.000 2.341 267 Y HA 0.097 4.648 4.550 0.001 0.000 0.340 267 Y C 1.405 177.345 175.900 0.066 0.000 0.997 267 Y CA -0.690 57.451 58.100 0.067 0.000 1.149 267 Y CB 1.695 40.184 38.460 0.048 0.000 1.171 267 Y HN 0.146 nan 8.280 nan 0.000 0.494 268 E N 1.343 121.624 120.200 0.135 0.000 2.136 268 E HA -0.301 4.049 4.350 0.001 0.000 0.202 268 E C 1.831 178.502 176.600 0.118 0.000 1.019 268 E CA 2.166 58.631 56.400 0.108 0.000 0.819 268 E CB 0.174 29.923 29.700 0.081 0.000 0.739 268 E HN 0.808 nan 8.360 nan 0.000 0.458 269 S N 0.125 115.920 115.700 0.160 0.000 2.440 269 S HA -0.150 4.321 4.470 0.001 0.000 0.238 269 S C 0.977 175.632 174.600 0.092 0.000 1.010 269 S CA 1.367 59.636 58.200 0.115 0.000 0.972 269 S CB 0.002 63.273 63.200 0.119 0.000 0.774 269 S HN 0.229 nan 8.310 nan 0.000 0.501 270 D N 1.029 121.503 120.400 0.122 0.000 2.388 270 D HA 0.376 5.017 4.640 0.001 0.000 0.221 270 D C 1.120 177.464 176.300 0.074 0.000 1.133 270 D CA 0.542 54.595 54.000 0.087 0.000 0.831 270 D CB 0.177 41.037 40.800 0.100 0.000 0.962 270 D HN 0.551 nan 8.370 nan 0.000 0.502 271 G N 0.044 108.886 108.800 0.070 0.000 2.140 271 G HA2 -0.104 3.856 3.960 0.001 0.000 0.211 271 G HA3 -0.104 3.856 3.960 0.001 0.000 0.211 271 G C 0.632 175.567 174.900 0.057 0.000 1.013 271 G CA -0.276 44.855 45.100 0.052 0.000 0.705 271 G HN 0.559 nan 8.290 nan 0.000 0.508 272 G N -0.313 108.532 108.800 0.076 0.000 2.531 272 G HA2 0.827 4.787 3.960 0.001 0.000 0.313 272 G HA3 0.827 4.787 3.960 0.001 0.000 0.313 272 G C -2.003 172.936 174.900 0.065 0.000 1.238 272 G CA -0.919 44.229 45.100 0.080 0.000 0.994 272 G HN 0.239 nan 8.290 nan 0.000 0.493 273 P HA 0.382 nan 4.420 nan 0.000 0.277 273 P C 0.020 177.359 177.300 0.066 0.000 1.240 273 P CA -0.002 63.142 63.100 0.073 0.000 0.798 273 P CB 1.937 33.763 31.700 0.209 0.000 0.979 274 G N 0.716 109.538 108.800 0.038 0.000 3.222 274 G HA2 0.363 4.324 3.960 0.001 0.000 0.263 274 G HA3 0.363 4.324 3.960 0.001 0.000 0.263 274 G C 0.895 175.819 174.900 0.040 0.000 1.312 274 G CA -0.678 44.448 45.100 0.042 0.000 0.934 274 G HN 0.284 nan 8.290 nan 0.000 0.577 275 I N 0.775 121.387 120.570 0.069 0.000 2.530 275 I HA -0.135 4.035 4.170 0.001 0.000 0.257 275 I C 2.792 178.917 176.117 0.012 0.000 1.179 275 I CA 1.799 63.162 61.300 0.105 0.000 1.440 275 I CB -1.358 36.718 38.000 0.127 0.000 1.087 275 I HN 0.472 nan 8.210 nan 0.000 0.440 276 A N 0.218 123.042 122.820 0.006 0.000 1.943 276 A HA -0.061 4.260 4.320 0.001 0.000 0.213 276 A C 2.478 180.045 177.584 -0.030 0.000 1.181 276 A CA 0.452 52.484 52.037 -0.008 0.000 0.653 276 A CB -0.250 18.750 19.000 0.001 0.000 0.833 276 A HN 0.160 nan 8.150 nan 0.000 0.451 277 R N 0.094 120.566 120.500 -0.047 0.000 2.127 277 R HA 0.134 4.474 4.340 0.001 0.000 0.217 277 R C 1.705 177.975 176.300 -0.051 0.000 1.074 277 R CA 1.046 57.085 56.100 -0.102 0.000 0.991 277 R CB -0.399 29.792 30.300 -0.181 0.000 0.895 277 R HN 0.587 nan 8.270 nan 0.000 0.450 278 I N 0.275 120.835 120.570 -0.016 0.000 2.333 278 I HA -0.228 3.943 4.170 0.001 0.000 0.246 278 I C 2.435 178.497 176.117 -0.092 0.000 1.106 278 I CA 0.670 61.968 61.300 -0.003 0.000 1.411 278 I CB -0.215 37.673 38.000 -0.187 0.000 1.082 278 I HN 0.053 nan 8.210 nan 0.000 0.420 279 M N 0.759 120.222 119.600 -0.227 0.000 2.065 279 M HA -0.195 4.286 4.480 0.001 0.000 0.259 279 M C 2.625 178.919 176.300 -0.012 0.000 1.071 279 M CA 2.074 57.256 55.300 -0.197 0.000 1.109 279 M CB -1.180 31.329 32.600 -0.151 0.000 1.313 279 M HN 0.294 nan 8.290 nan 0.000 0.408 280 A N -1.012 121.822 122.820 0.023 0.000 2.194 280 A HA -0.219 4.101 4.320 0.001 0.000 0.220 280 A C 1.938 179.599 177.584 0.130 0.000 1.162 280 A CA 1.402 53.475 52.037 0.060 0.000 0.674 280 A CB -1.015 18.007 19.000 0.036 0.000 0.789 280 A HN 0.542 nan 8.150 nan 0.000 0.470 281 F N -0.912 119.047 119.950 0.015 0.000 2.656 281 F HA 0.274 4.801 4.527 0.000 0.000 0.291 281 F C 1.413 177.312 175.800 0.164 0.000 1.122 281 F CA 0.346 58.410 58.000 0.107 0.000 1.427 281 F CB 0.129 39.236 39.000 0.178 0.000 1.125 281 F HN 0.073 nan 8.300 nan 0.000 0.583 282 L N 0.320 121.633 121.223 0.149 0.000 2.610 282 L HA -0.051 4.289 4.340 0.001 0.000 0.232 282 L C 1.889 178.762 176.870 0.006 0.000 1.149 282 L CA 0.221 55.105 54.840 0.073 0.000 0.872 282 L CB -0.393 41.677 42.059 0.019 0.000 0.992 282 L HN 0.226 nan 8.230 nan 0.000 0.447 283 M N -0.919 118.679 119.600 -0.004 0.000 2.562 283 M HA 0.006 4.487 4.480 0.001 0.000 0.257 283 M C 1.746 178.000 176.300 -0.076 0.000 1.099 283 M CA 0.952 56.245 55.300 -0.012 0.000 1.099 283 M CB -0.277 32.332 32.600 0.015 0.000 1.427 283 M HN 0.300 nan 8.290 nan 0.000 0.489 284 G N -0.638 108.071 108.800 -0.152 0.000 3.159 284 G HA2 0.049 4.009 3.960 0.001 0.000 0.232 284 G HA3 0.049 4.009 3.960 0.001 0.000 0.232 284 G C 0.464 175.019 174.900 -0.575 0.000 1.116 284 G CA -0.133 44.810 45.100 -0.261 0.000 0.767 284 G HN 0.358 nan 8.290 nan 0.000 0.547 285 S N -0.086 115.338 115.700 -0.460 0.000 2.584 285 S HA 0.286 4.757 4.470 0.001 0.000 0.270 285 S C 1.894 176.292 174.600 -0.337 0.000 1.346 285 S CA 0.506 58.396 58.200 -0.518 0.000 1.018 285 S CB 1.185 64.315 63.200 -0.116 0.000 0.899 285 S HN 0.283 nan 8.310 nan 0.000 0.542 286 S N 2.359 117.886 115.700 -0.289 0.000 2.462 286 S HA -0.140 4.330 4.470 0.001 0.000 0.219 286 S C 0.738 175.282 174.600 -0.093 0.000 1.048 286 S CA 1.570 59.672 58.200 -0.163 0.000 1.119 286 S CB -0.854 62.285 63.200 -0.101 0.000 1.100 286 S HN 0.837 nan 8.310 nan 0.000 0.411 287 E N 1.013 121.187 120.200 -0.044 0.000 2.467 287 E HA 0.415 4.765 4.350 0.001 0.000 0.321 287 E C 0.863 177.472 176.600 0.015 0.000 1.388 287 E CA 0.259 56.653 56.400 -0.009 0.000 1.508 287 E CB -0.078 29.629 29.700 0.011 0.000 1.250 287 E HN 0.526 nan 8.360 nan 0.000 0.500 288 A N 2.488 125.301 122.820 -0.010 0.000 1.902 288 A HA -0.181 4.139 4.320 0.001 0.000 0.217 288 A C 1.909 179.542 177.584 0.081 0.000 1.181 288 A CA 0.773 52.820 52.037 0.016 0.000 0.623 288 A CB -0.254 18.730 19.000 -0.026 0.000 0.818 288 A HN 0.506 nan 8.150 nan 0.000 0.443 289 L N -0.178 121.088 121.223 0.071 0.000 2.012 289 L HA -0.200 4.141 4.340 0.001 0.000 0.210 289 L C 2.487 179.456 176.870 0.165 0.000 1.073 289 L CA 2.624 57.527 54.840 0.106 0.000 0.748 289 L CB -0.727 41.364 42.059 0.052 0.000 0.891 289 L HN 0.598 nan 8.230 nan 0.000 0.431 290 K N -0.782 119.694 120.400 0.127 0.000 2.116 290 K HA -0.148 4.172 4.320 0.001 0.000 0.203 290 K C 1.621 178.368 176.600 0.245 0.000 1.052 290 K CA 1.103 57.487 56.287 0.161 0.000 0.952 290 K CB 0.097 32.647 32.500 0.083 0.000 0.729 290 K HN 0.200 nan 8.250 nan 0.000 0.446 291 D N 0.823 121.339 120.400 0.193 0.000 2.144 291 D HA -0.113 4.528 4.640 0.001 0.000 0.199 291 D C 1.949 178.405 176.300 0.260 0.000 0.984 291 D CA 0.974 55.102 54.000 0.214 0.000 0.834 291 D CB 0.072 40.961 40.800 0.148 0.000 0.955 291 D HN 0.208 nan 8.370 nan 0.000 0.465 292 R N -0.884 119.761 120.500 0.242 0.000 2.115 292 R HA -0.112 4.228 4.340 0.001 0.000 0.226 292 R C 2.138 178.607 176.300 0.282 0.000 1.100 292 R CA 0.612 56.848 56.100 0.226 0.000 0.980 292 R CB -0.179 30.287 30.300 0.276 0.000 0.875 292 R HN 0.265 nan 8.270 nan 0.000 0.445 293 Y N 1.988 122.478 120.300 0.317 0.000 2.130 293 Y HA -0.200 4.350 4.550 0.001 0.000 0.287 293 Y C 1.786 177.827 175.900 0.236 0.000 1.124 293 Y CA 1.769 60.081 58.100 0.353 0.000 1.118 293 Y CB -0.051 38.580 38.460 0.285 0.000 0.994 293 Y HN 0.039 nan 8.280 nan 0.000 0.497 294 D N -0.238 120.408 120.400 0.410 0.000 2.221 294 D HA -0.224 4.416 4.640 0.001 0.000 0.204 294 D C 1.919 178.350 176.300 0.218 0.000 0.982 294 D CA 1.188 55.367 54.000 0.297 0.000 0.857 294 D CB -0.665 40.359 40.800 0.375 0.000 0.934 294 D HN 0.357 nan 8.370 nan 0.000 0.475 295 F N 1.596 121.642 119.950 0.160 0.000 2.009 295 F HA -0.186 4.341 4.527 0.001 0.000 0.293 295 F C 2.461 178.254 175.800 -0.013 0.000 1.156 295 F CA 1.145 59.239 58.000 0.156 0.000 1.168 295 F CB -0.223 38.825 39.000 0.080 0.000 0.981 295 F HN -0.260 nan 8.300 nan 0.000 0.475 296 M N 0.471 120.083 119.600 0.021 0.000 2.116 296 M HA -0.319 4.161 4.480 0.001 0.000 0.255 296 M C 2.150 178.325 176.300 -0.207 0.000 1.075 296 M CA 1.747 56.929 55.300 -0.196 0.000 1.087 296 M CB -1.429 30.854 32.600 -0.528 0.000 1.340 296 M HN 0.218 nan 8.290 nan 0.000 0.402 297 K N -1.085 119.211 120.400 -0.172 0.000 2.147 297 K HA -0.167 4.153 4.320 0.001 0.000 0.205 297 K C 1.810 178.415 176.600 0.007 0.000 1.049 297 K CA 1.024 57.282 56.287 -0.048 0.000 0.936 297 K CB -0.200 32.260 32.500 -0.067 0.000 0.722 297 K HN 0.160 nan 8.250 nan 0.000 0.446 298 F N 1.792 121.538 119.950 -0.341 0.000 2.451 298 F HA -0.132 4.395 4.527 0.001 0.000 0.299 298 F C 2.053 177.702 175.800 -0.251 0.000 1.101 298 F CA 0.990 58.721 58.000 -0.447 0.000 1.436 298 F CB 0.162 38.549 39.000 -1.021 0.000 1.074 298 F HN 0.049 nan 8.300 nan 0.000 0.553 299 Q N -0.069 119.581 119.800 -0.249 0.000 2.020 299 Q HA -0.085 4.255 4.340 0.001 0.000 0.198 299 Q C 2.617 178.508 176.000 -0.182 0.000 0.974 299 Q CA 1.700 57.384 55.803 -0.198 0.000 0.829 299 Q CB -1.154 27.528 28.738 -0.093 0.000 0.894 299 Q HN 0.330 nan 8.270 nan 0.000 0.433 300 V N 1.250 120.907 119.914 -0.428 0.000 2.287 300 V HA -0.252 3.868 4.120 0.001 0.000 0.248 300 V C 2.135 178.045 176.094 -0.307 0.000 1.053 300 V CA 1.961 63.919 62.300 -0.569 0.000 1.027 300 V CB -0.899 30.249 31.823 -1.124 0.000 0.646 300 V HN 0.178 nan 8.190 nan 0.000 0.447 301 F N 0.913 120.559 119.950 -0.508 0.000 2.091 301 F HA -0.282 4.246 4.527 0.001 0.000 0.299 301 F C 2.530 178.089 175.800 -0.401 0.000 1.103 301 F CA 2.309 60.079 58.000 -0.383 0.000 1.228 301 F CB -0.435 38.395 39.000 -0.284 0.000 0.984 301 F HN 0.139 nan 8.300 nan 0.000 0.477 302 Q N -1.297 118.176 119.800 -0.544 0.000 2.050 302 Q HA -0.251 4.089 4.340 0.001 0.000 0.202 302 Q C 2.064 177.884 176.000 -0.300 0.000 0.980 302 Q CA 1.969 57.444 55.803 -0.547 0.000 0.840 302 Q CB -0.738 27.741 28.738 -0.433 0.000 0.898 302 Q HN 0.699 nan 8.270 nan 0.000 0.424 303 W N 0.740 121.882 121.300 -0.264 0.000 2.374 303 W HA -0.156 4.504 4.660 0.001 0.000 0.288 303 W C 1.166 177.625 176.519 -0.100 0.000 1.218 303 W CA 1.114 58.396 57.345 -0.104 0.000 1.245 303 W CB -0.204 29.335 29.460 0.132 0.000 1.126 303 W HN 0.058 nan 8.180 nan 0.000 0.545 304 L N 0.975 121.864 121.223 -0.557 0.000 2.131 304 L HA -0.076 4.265 4.340 0.001 0.000 0.206 304 L C 2.338 178.981 176.870 -0.379 0.000 1.087 304 L CA 1.428 55.833 54.840 -0.726 0.000 0.767 304 L CB -0.524 41.205 42.059 -0.550 0.000 0.917 304 L HN 0.161 nan 8.230 nan 0.000 0.441 305 I N -3.113 117.113 120.570 -0.573 0.000 3.904 305 I HA 0.378 4.548 4.170 0.001 0.000 0.333 305 I C 0.786 176.164 176.117 -1.232 0.000 1.361 305 I CA -0.090 60.801 61.300 -0.682 0.000 1.116 305 I CB -0.526 37.010 38.000 -0.774 0.000 1.028 305 I HN 0.131 nan 8.210 nan 0.000 0.398 306 G N 2.408 110.692 108.800 -0.861 0.000 2.331 306 G HA2 -0.087 3.874 3.960 0.001 0.000 0.254 306 G HA3 -0.087 3.874 3.960 0.001 0.000 0.254 306 G C 0.060 174.604 174.900 -0.592 0.000 0.879 306 G CA 0.162 44.827 45.100 -0.725 0.000 1.287 306 G HN 0.983 nan 8.290 nan 0.000 0.383 307 A N 2.587 125.183 122.820 -0.373 0.000 2.511 307 A HA 0.761 5.081 4.320 0.001 0.000 0.340 307 A C 1.289 178.799 177.584 -0.124 0.000 1.396 307 A CA 0.583 52.462 52.037 -0.264 0.000 0.887 307 A CB 0.444 19.273 19.000 -0.285 0.000 1.145 307 A HN 1.622 nan 8.150 nan 0.000 0.497 308 T N -0.939 113.571 114.554 -0.073 0.000 3.160 308 T HA 0.049 4.400 4.350 0.001 0.000 0.257 308 T C 0.619 175.377 174.700 0.097 0.000 1.147 308 T CA 0.871 62.984 62.100 0.022 0.000 1.064 308 T CB -0.201 68.688 68.868 0.035 0.000 0.949 308 T HN 0.603 nan 8.240 nan 0.000 0.526 309 Q N 0.458 120.288 119.800 0.050 0.000 2.943 309 Q HA 0.496 4.837 4.340 0.001 0.000 0.327 309 Q C 0.074 176.008 176.000 -0.111 0.000 0.937 309 Q CA -0.541 55.314 55.803 0.088 0.000 0.914 309 Q CB 0.202 29.017 28.738 0.128 0.000 1.339 309 Q HN 0.457 nan 8.270 nan 0.000 0.417 310 G N 1.643 110.387 108.800 -0.094 0.000 4.547 310 G HA2 0.128 4.089 3.960 0.001 0.000 0.301 310 G HA3 0.128 4.089 3.960 0.001 0.000 0.301 310 G C -0.077 174.836 174.900 0.022 0.000 1.240 310 G CA -0.369 44.697 45.100 -0.057 0.000 0.970 310 G HN 0.670 nan 8.290 nan 0.000 0.574 311 H N -1.582 117.464 119.070 -0.039 0.000 2.503 311 H HA 0.506 5.062 4.556 0.001 0.000 0.375 311 H C 1.825 177.217 175.328 0.106 0.000 1.801 311 H CA 0.049 55.984 56.048 -0.189 0.000 1.450 311 H CB 0.369 29.712 29.762 -0.698 0.000 1.601 311 H HN -0.002 nan 8.280 nan 0.000 0.581 312 A N -0.228 122.756 122.820 0.273 0.000 2.019 312 A HA -0.148 4.172 4.320 0.001 0.000 0.219 312 A C 1.968 179.750 177.584 0.330 0.000 1.164 312 A CA 1.555 53.755 52.037 0.271 0.000 0.644 312 A CB -0.735 18.347 19.000 0.138 0.000 0.805 312 A HN 0.704 nan 8.150 nan 0.000 0.449 313 K N -0.049 120.625 120.400 0.456 0.000 2.525 313 K HA 0.050 4.371 4.320 0.001 0.000 0.192 313 K C 0.222 177.034 176.600 0.353 0.000 1.029 313 K CA 0.107 56.588 56.287 0.324 0.000 1.029 313 K CB -0.003 32.606 32.500 0.182 0.000 0.814 313 K HN 0.341 nan 8.250 nan 0.000 0.503 314 N N 0.264 119.118 118.700 0.258 0.000 2.321 314 N HA 0.103 4.843 4.740 0.001 0.000 0.242 314 N C -1.278 173.785 175.510 -0.744 0.000 1.141 314 N CA 0.262 53.261 53.050 -0.085 0.000 0.864 314 N CB 0.440 38.682 38.487 -0.408 0.000 1.100 314 N HN -0.052 nan 8.380 nan 0.000 0.510 315 F N -0.618 119.340 119.950 0.013 0.000 2.581 315 F HA 0.366 4.894 4.527 0.000 0.000 0.311 315 F C 0.275 176.076 175.800 0.003 0.000 1.113 315 F CA -0.621 57.323 58.000 -0.093 0.000 0.935 315 F CB 1.763 40.781 39.000 0.029 0.000 1.232 315 F HN -0.282 nan 8.300 nan 0.000 0.445 316 S N 0.733 116.498 115.700 0.110 0.000 2.810 316 S HA 0.933 5.403 4.470 0.001 0.000 0.315 316 S C -1.152 173.432 174.600 -0.026 0.000 1.138 316 S CA -0.930 57.298 58.200 0.047 0.000 0.889 316 S CB 2.466 65.716 63.200 0.084 0.000 1.236 316 S HN 0.592 nan 8.310 nan 0.000 0.548 317 V N -0.787 119.092 119.914 -0.057 0.000 2.789 317 V HA 0.571 4.691 4.120 0.001 0.000 0.300 317 V C -1.310 174.795 176.094 0.018 0.000 1.184 317 V CA -0.978 61.336 62.300 0.024 0.000 0.930 317 V CB 0.335 32.276 31.823 0.198 0.000 1.041 317 V HN 0.734 nan 8.190 nan 0.000 0.430 318 F N 3.455 123.497 119.950 0.153 0.000 2.506 318 F HA 0.491 5.019 4.527 0.000 0.000 0.351 318 F C 0.557 176.455 175.800 0.164 0.000 1.136 318 F CA 0.033 58.118 58.000 0.141 0.000 1.298 318 F CB 0.809 39.875 39.000 0.110 0.000 1.145 318 F HN 0.357 nan 8.300 nan 0.000 0.593 319 I N 3.045 123.812 120.570 0.328 0.000 2.287 319 I HA 0.131 4.301 4.170 0.001 0.000 0.290 319 I C -0.082 176.174 176.117 0.232 0.000 1.069 319 I CA -0.135 61.323 61.300 0.263 0.000 1.237 319 I CB 0.442 38.563 38.000 0.201 0.000 1.418 319 I HN 0.516 nan 8.210 nan 0.000 0.481 320 Q N 3.868 123.789 119.800 0.201 0.000 2.340 320 Q HA 0.593 4.933 4.340 0.001 0.000 0.249 320 Q C 0.360 176.410 176.000 0.084 0.000 0.957 320 Q CA -0.721 55.148 55.803 0.111 0.000 0.882 320 Q CB 0.881 29.656 28.738 0.061 0.000 1.235 320 Q HN 0.747 nan 8.270 nan 0.000 0.439 321 A N 1.249 124.090 122.820 0.035 0.000 2.584 321 A HA 0.337 4.657 4.320 0.001 0.000 0.239 321 A C 1.120 178.721 177.584 0.028 0.000 1.043 321 A CA 0.879 52.927 52.037 0.017 0.000 0.756 321 A CB -0.710 18.248 19.000 -0.071 0.000 0.963 321 A HN 1.038 nan 8.150 nan 0.000 0.511 322 G N 0.868 109.694 108.800 0.044 0.000 2.134 322 G HA2 0.205 4.166 3.960 0.001 0.000 0.209 322 G HA3 0.205 4.166 3.960 0.001 0.000 0.209 322 G C 1.599 176.533 174.900 0.055 0.000 0.993 322 G CA 0.787 45.911 45.100 0.040 0.000 0.669 322 G HN 2.784 nan 8.290 nan 0.000 0.519 323 G N -1.133 107.720 108.800 0.088 0.000 2.257 323 G HA2 -0.027 3.934 3.960 0.001 0.000 0.267 323 G HA3 -0.027 3.934 3.960 0.001 0.000 0.267 323 G C 1.120 176.126 174.900 0.176 0.000 0.984 323 G CA 1.561 46.738 45.100 0.129 0.000 0.626 323 G HN 2.402 nan 8.290 nan 0.000 0.540 324 S N 0.192 115.955 115.700 0.104 0.000 2.576 324 S HA 0.626 5.097 4.470 0.001 0.000 0.272 324 S C 0.042 174.721 174.600 0.132 0.000 1.352 324 S CA 0.515 58.735 58.200 0.034 0.000 1.021 324 S CB 1.012 64.176 63.200 -0.059 0.000 0.887 324 S HN 1.624 nan 8.310 nan 0.000 0.542 325 Y N -1.219 119.104 120.300 0.037 0.000 2.876 325 Y HA 0.890 5.440 4.550 0.001 0.000 0.317 325 Y C -0.365 175.582 175.900 0.078 0.000 1.369 325 Y CA -1.611 56.540 58.100 0.085 0.000 1.101 325 Y CB 1.088 39.616 38.460 0.113 0.000 1.346 325 Y HN 1.061 nan 8.280 nan 0.000 0.505 326 R N 0.158 120.860 120.500 0.336 0.000 2.753 326 R HA 0.527 4.868 4.340 0.001 0.000 0.272 326 R C -2.472 174.003 176.300 0.291 0.000 1.034 326 R CA -0.971 55.265 56.100 0.227 0.000 0.869 326 R CB 1.055 31.440 30.300 0.141 0.000 1.264 326 R HN 0.803 nan 8.270 nan 0.000 0.481 327 L N 1.857 123.202 121.223 0.203 0.000 2.439 327 L HA 0.373 4.713 4.340 0.001 0.000 0.269 327 L C 0.238 177.129 176.870 0.035 0.000 1.179 327 L CA 0.801 55.706 54.840 0.108 0.000 0.828 327 L CB 1.411 43.525 42.059 0.091 0.000 1.106 327 L HN 0.931 nan 8.230 nan 0.000 0.467 328 T N 1.896 116.329 114.554 -0.202 0.000 2.884 328 T HA 0.662 5.013 4.350 0.001 0.000 0.277 328 T C -2.412 171.896 174.700 -0.654 0.000 0.976 328 T CA -1.782 60.076 62.100 -0.403 0.000 0.956 328 T CB 1.113 69.510 68.868 -0.785 0.000 1.113 328 T HN 0.433 nan 8.240 nan 0.000 0.554 329 P HA 0.258 nan 4.420 nan 0.000 0.271 329 P C -0.839 175.927 177.300 -0.891 0.000 1.244 329 P CA -0.369 62.282 63.100 -0.748 0.000 0.793 329 P CB 0.105 31.395 31.700 -0.683 0.000 0.984 330 F N 0.951 120.605 119.950 -0.493 0.000 2.451 330 F HA 0.214 4.742 4.527 0.001 0.000 0.356 330 F C 0.749 176.327 175.800 -0.370 0.000 1.178 330 F CA -0.264 57.325 58.000 -0.685 0.000 1.210 330 F CB -0.786 37.554 39.000 -1.100 0.000 1.504 330 F HN 0.217 nan 8.300 nan 0.000 0.598 331 Y N -0.722 119.537 120.300 -0.068 0.000 2.240 331 Y HA 0.349 4.899 4.550 0.001 0.000 0.341 331 Y C 0.636 176.560 175.900 0.039 0.000 1.326 331 Y CA -2.152 55.997 58.100 0.081 0.000 1.569 331 Y CB 0.054 38.627 38.460 0.188 0.000 1.426 331 Y HN 0.443 nan 8.280 nan 0.000 0.587 332 D N 0.543 121.150 120.400 0.345 0.000 3.845 332 D HA -0.200 4.440 4.640 0.001 0.000 0.227 332 D C -1.338 175.038 176.300 0.125 0.000 1.092 332 D CA 0.825 54.953 54.000 0.213 0.000 1.148 332 D CB -0.644 40.305 40.800 0.248 0.000 0.803 332 D HN 0.662 nan 8.370 nan 0.000 0.395 333 I N 4.435 125.090 120.570 0.141 0.000 2.468 333 I HA 0.392 4.562 4.170 0.001 0.000 0.285 333 I C 0.047 176.205 176.117 0.070 0.000 1.039 333 I CA -0.852 60.524 61.300 0.126 0.000 1.074 333 I CB 1.505 39.643 38.000 0.230 0.000 1.228 333 I HN 0.113 nan 8.210 nan 0.000 0.436 334 I N 3.899 124.465 120.570 -0.007 0.000 2.686 334 I HA 0.298 4.469 4.170 0.001 0.000 0.295 334 I C -0.169 175.855 176.117 -0.156 0.000 1.114 334 I CA -0.452 60.825 61.300 -0.038 0.000 1.038 334 I CB 2.351 40.342 38.000 -0.015 0.000 1.238 334 I HN 0.452 nan 8.210 nan 0.000 0.420 335 S N 3.109 118.696 115.700 -0.189 0.000 2.489 335 S HA 0.658 5.129 4.470 0.001 0.000 0.291 335 S C 0.660 175.081 174.600 -0.299 0.000 1.151 335 S CA -0.117 57.846 58.200 -0.395 0.000 1.082 335 S CB 1.601 64.529 63.200 -0.453 0.000 1.019 335 S HN 0.726 nan 8.310 nan 0.000 0.492 336 A N 4.567 127.170 122.820 -0.362 0.000 2.275 336 A HA 0.304 4.624 4.320 0.001 0.000 0.212 336 A C 1.317 178.914 177.584 0.021 0.000 1.201 336 A CA -0.080 51.879 52.037 -0.131 0.000 0.843 336 A CB -0.656 18.300 19.000 -0.072 0.000 0.873 336 A HN 0.908 nan 8.150 nan 0.000 0.492 337 F N 1.331 121.230 119.950 -0.084 0.000 2.095 337 F HA -0.109 4.418 4.527 0.001 0.000 0.298 337 F C -0.335 175.415 175.800 -0.084 0.000 1.104 337 F CA 0.886 58.829 58.000 -0.095 0.000 1.232 337 F CB -0.907 38.027 39.000 -0.110 0.000 0.987 337 F HN 0.201 nan 8.300 nan 0.000 0.475 338 P HA -0.003 nan 4.420 nan 0.000 0.271 338 P C 0.267 177.572 177.300 0.008 0.000 1.535 338 P CA 0.896 64.014 63.100 0.030 0.000 0.820 338 P CB -0.005 31.692 31.700 -0.004 0.000 1.606 339 V N -1.888 118.039 119.914 0.022 0.000 3.392 339 V HA 0.122 4.242 4.120 0.001 0.000 0.294 339 V C 1.282 177.378 176.094 0.003 0.000 1.561 339 V CA -0.068 62.235 62.300 0.005 0.000 1.056 339 V CB 0.137 31.964 31.823 0.005 0.000 0.882 339 V HN 0.013 nan 8.190 nan 0.000 0.440 340 L N 0.528 121.752 121.223 0.002 0.000 2.682 340 L HA 0.807 5.147 4.340 0.001 0.000 0.209 340 L C 1.354 178.198 176.870 -0.043 0.000 1.195 340 L CA 0.817 55.641 54.840 -0.028 0.000 0.869 340 L CB -0.036 41.986 42.059 -0.063 0.000 1.599 340 L HN 0.392 nan 8.230 nan 0.000 0.518 341 G N -0.812 107.945 108.800 -0.071 0.000 2.445 341 G HA2 -0.178 3.783 3.960 0.001 0.000 0.212 341 G HA3 -0.178 3.783 3.960 0.001 0.000 0.212 341 G C 0.408 175.297 174.900 -0.018 0.000 1.217 341 G CA -0.323 44.745 45.100 -0.054 0.000 1.002 341 G HN 1.010 nan 8.290 nan 0.000 0.574 342 G N 0.070 108.864 108.800 -0.010 0.000 3.279 342 G HA2 0.406 4.367 3.960 0.001 0.000 0.230 342 G HA3 0.406 4.367 3.960 0.001 0.000 0.230 342 G C 1.141 176.043 174.900 0.004 0.000 1.230 342 G CA 1.749 46.852 45.100 0.004 0.000 0.891 342 G HN 1.727 nan 8.290 nan 0.000 0.518 343 T N -2.489 112.065 114.554 0.001 0.000 3.312 343 T HA 0.397 4.747 4.350 0.001 0.000 0.251 343 T C 1.674 176.380 174.700 0.009 0.000 1.012 343 T CA 0.268 62.368 62.100 0.001 0.000 0.925 343 T CB 0.211 69.076 68.868 -0.005 0.000 1.049 343 T HN 0.898 nan 8.240 nan 0.000 0.583 344 G N 1.640 110.452 108.800 0.019 0.000 2.203 344 G HA2 -0.246 3.714 3.960 0.001 0.000 0.263 344 G HA3 -0.246 3.714 3.960 0.001 0.000 0.263 344 G C -0.022 174.900 174.900 0.037 0.000 1.012 344 G CA 0.271 45.387 45.100 0.027 0.000 0.749 344 G HN 0.701 nan 8.290 nan 0.000 0.512 345 I N 0.302 120.898 120.570 0.043 0.000 2.497 345 I HA 0.313 4.484 4.170 0.001 0.000 0.284 345 I C -0.051 176.108 176.117 0.069 0.000 1.060 345 I CA -0.945 60.387 61.300 0.053 0.000 1.071 345 I CB 1.569 39.588 38.000 0.030 0.000 1.216 345 I HN 0.134 nan 8.210 nan 0.000 0.442 346 H N 5.775 124.848 119.070 0.005 0.000 2.502 346 H HA 0.379 4.935 4.556 0.001 0.000 0.338 346 H C 0.711 176.044 175.328 0.008 0.000 1.155 346 H CA -0.285 55.764 56.048 0.001 0.000 1.237 346 H CB 2.711 32.472 29.762 -0.001 0.000 1.534 346 H HN 0.697 nan 8.280 nan 0.000 0.523 347 I N 2.550 123.043 120.570 -0.128 0.000 2.700 347 I HA -0.250 3.920 4.170 0.001 0.000 0.261 347 I C 1.854 178.069 176.117 0.163 0.000 1.219 347 I CA 1.427 62.729 61.300 0.003 0.000 1.463 347 I CB -0.015 37.909 38.000 -0.127 0.000 1.092 347 I HN 0.521 nan 8.210 nan 0.000 0.452 348 S N -0.743 115.176 115.700 0.365 0.000 2.561 348 S HA -0.085 4.385 4.470 0.001 0.000 0.225 348 S C 1.288 175.956 174.600 0.114 0.000 0.977 348 S CA 0.774 59.089 58.200 0.192 0.000 0.926 348 S CB -0.232 63.028 63.200 0.100 0.000 0.769 348 S HN 0.467 nan 8.310 nan 0.000 0.533 349 D N 1.130 121.604 120.400 0.123 0.000 2.338 349 D HA 0.221 4.861 4.640 0.001 0.000 0.208 349 D C 0.271 176.612 176.300 0.068 0.000 0.997 349 D CA 0.108 54.155 54.000 0.079 0.000 0.880 349 D CB -0.058 40.787 40.800 0.075 0.000 0.980 349 D HN 0.412 nan 8.370 nan 0.000 0.509 350 L N 2.321 123.592 121.223 0.080 0.000 2.500 350 L HA 0.086 4.426 4.340 0.001 0.000 0.272 350 L C 0.639 177.552 176.870 0.072 0.000 1.149 350 L CA 0.346 55.231 54.840 0.075 0.000 0.897 350 L CB 0.220 42.339 42.059 0.100 0.000 1.178 350 L HN -0.337 nan 8.230 nan 0.000 0.473 351 K N 4.615 125.054 120.400 0.064 0.000 2.267 351 K HA 0.574 4.895 4.320 0.001 0.000 0.246 351 K C -0.558 176.086 176.600 0.073 0.000 0.954 351 K CA -0.905 55.420 56.287 0.063 0.000 0.824 351 K CB 2.608 35.143 32.500 0.058 0.000 1.167 351 K HN 0.411 nan 8.250 nan 0.000 0.431 352 L N 1.189 122.452 121.223 0.067 0.000 2.421 352 L HA 0.165 4.505 4.340 0.001 0.000 0.263 352 L C 1.474 178.404 176.870 0.099 0.000 1.122 352 L CA 0.008 54.889 54.840 0.069 0.000 0.804 352 L CB 1.483 43.574 42.059 0.052 0.000 1.150 352 L HN 0.893 nan 8.230 nan 0.000 0.457 353 A N 3.496 126.377 122.820 0.103 0.000 1.855 353 A HA 0.003 4.324 4.320 0.001 0.000 0.215 353 A C 0.840 178.475 177.584 0.086 0.000 1.191 353 A CA 1.090 53.195 52.037 0.113 0.000 0.613 353 A CB -0.102 18.908 19.000 0.018 0.000 0.829 353 A HN 0.659 nan 8.150 nan 0.000 0.442 354 M N 0.170 119.807 119.600 0.062 0.000 2.227 354 M HA 0.489 4.969 4.480 0.001 0.000 0.335 354 M C 0.331 176.653 176.300 0.037 0.000 1.053 354 M CA -0.385 54.947 55.300 0.054 0.000 0.973 354 M CB 1.742 34.375 32.600 0.055 0.000 1.623 354 M HN 0.242 nan 8.290 nan 0.000 0.434 355 G N 3.046 111.861 108.800 0.024 0.000 2.562 355 G HA2 0.668 4.628 3.960 0.001 0.000 0.275 355 G HA3 0.668 4.628 3.960 0.001 0.000 0.275 355 G C -0.522 174.366 174.900 -0.019 0.000 1.196 355 G CA -0.723 44.371 45.100 -0.010 0.000 0.908 355 G HN 0.643 nan 8.290 nan 0.000 0.524 356 L N -0.140 121.043 121.223 -0.067 0.000 2.358 356 L HA 0.322 4.662 4.340 0.001 0.000 0.268 356 L C 0.917 177.767 176.870 -0.033 0.000 1.032 356 L CA -0.940 53.865 54.840 -0.059 0.000 0.805 356 L CB 1.468 43.434 42.059 -0.156 0.000 1.253 356 L HN 0.627 nan 8.230 nan 0.000 0.452 357 N N 1.199 119.901 118.700 0.002 0.000 2.423 357 N HA 0.151 4.891 4.740 0.001 0.000 0.275 357 N C -0.540 174.996 175.510 0.045 0.000 1.283 357 N CA -0.188 52.875 53.050 0.022 0.000 0.932 357 N CB 0.608 39.115 38.487 0.034 0.000 1.185 357 N HN 0.695 nan 8.380 nan 0.000 0.483 358 A N 2.734 125.579 122.820 0.042 0.000 2.420 358 A HA 0.338 4.658 4.320 0.001 0.000 0.291 358 A C 1.223 178.845 177.584 0.063 0.000 1.228 358 A CA -0.220 51.873 52.037 0.093 0.000 0.933 358 A CB 0.362 19.379 19.000 0.028 0.000 1.428 358 A HN 0.770 nan 8.150 nan 0.000 0.493 359 S N -1.077 114.664 115.700 0.069 0.000 2.428 359 S HA 0.012 4.483 4.470 0.001 0.000 0.230 359 S C 0.647 175.261 174.600 0.023 0.000 1.014 359 S CA 1.475 59.697 58.200 0.036 0.000 0.957 359 S CB -0.195 63.025 63.200 0.034 0.000 0.784 359 S HN 0.596 nan 8.310 nan 0.000 0.499 360 K N 0.600 121.013 120.400 0.021 0.000 2.705 360 K HA 0.478 4.799 4.320 0.001 0.000 0.238 360 K C 0.593 177.198 176.600 0.007 0.000 0.996 360 K CA 0.198 56.492 56.287 0.012 0.000 1.007 360 K CB 0.496 33.001 32.500 0.009 0.000 1.206 360 K HN 0.284 nan 8.250 nan 0.000 0.488 361 G N 3.312 112.117 108.800 0.008 0.000 2.557 361 G HA2 -0.301 3.659 3.960 0.001 0.000 0.292 361 G HA3 -0.301 3.659 3.960 0.001 0.000 0.292 361 G C -0.980 173.921 174.900 0.002 0.000 1.162 361 G CA 0.114 45.217 45.100 0.005 0.000 0.964 361 G HN 0.463 nan 8.290 nan 0.000 0.541 362 K N 0.542 120.939 120.400 -0.006 0.000 2.318 362 K HA 0.757 5.078 4.320 0.001 0.000 0.249 362 K C -0.338 176.236 176.600 -0.044 0.000 0.942 362 K CA -0.561 55.714 56.287 -0.019 0.000 0.808 362 K CB 2.050 34.545 32.500 -0.008 0.000 1.189 362 K HN 0.607 nan 8.250 nan 0.000 0.428 363 K N 0.500 120.846 120.400 -0.090 0.000 2.292 363 K HA 0.331 4.652 4.320 0.001 0.000 0.257 363 K C -0.034 176.482 176.600 -0.140 0.000 0.940 363 K CA -0.223 55.975 56.287 -0.148 0.000 0.811 363 K CB 1.092 33.409 32.500 -0.305 0.000 1.120 363 K HN 0.821 nan 8.250 nan 0.000 0.428 364 T N -0.357 114.144 114.554 -0.089 0.000 3.125 364 T HA 0.227 4.577 4.350 0.001 0.000 0.252 364 T C 0.762 175.448 174.700 -0.023 0.000 0.981 364 T CA 0.056 62.129 62.100 -0.045 0.000 1.069 364 T CB -0.140 68.731 68.868 0.005 0.000 1.091 364 T HN 0.484 nan 8.240 nan 0.000 0.460 365 A N 2.309 125.120 122.820 -0.014 0.000 2.558 365 A HA 0.267 4.588 4.320 0.001 0.000 0.262 365 A C 1.430 179.037 177.584 0.039 0.000 1.049 365 A CA -0.024 52.025 52.037 0.021 0.000 0.804 365 A CB -1.020 17.993 19.000 0.021 0.000 0.957 365 A HN 0.634 nan 8.150 nan 0.000 0.520 366 I N 1.257 121.886 120.570 0.098 0.000 2.502 366 I HA -0.203 3.967 4.170 0.001 0.000 0.258 366 I C 1.469 177.695 176.117 0.182 0.000 1.172 366 I CA 1.496 62.916 61.300 0.200 0.000 1.430 366 I CB -0.218 37.897 38.000 0.192 0.000 1.086 366 I HN 0.630 nan 8.210 nan 0.000 0.440 367 D N 0.896 121.362 120.400 0.110 0.000 2.324 367 D HA -0.023 4.617 4.640 0.001 0.000 0.235 367 D C 1.462 177.833 176.300 0.118 0.000 1.095 367 D CA 0.702 54.760 54.000 0.098 0.000 0.871 367 D CB 0.177 41.037 40.800 0.101 0.000 0.906 367 D HN 0.294 nan 8.370 nan 0.000 0.522 368 K N -0.944 119.509 120.400 0.089 0.000 2.529 368 K HA 0.235 4.556 4.320 0.001 0.000 0.215 368 K C 0.286 176.914 176.600 0.047 0.000 1.286 368 K CA -0.210 56.147 56.287 0.116 0.000 0.997 368 K CB 1.513 34.024 32.500 0.018 0.000 1.063 368 K HN 0.050 nan 8.250 nan 0.000 0.590 369 I N 2.570 123.051 120.570 -0.149 0.000 2.436 369 I HA 0.067 4.238 4.170 0.001 0.000 0.289 369 I C -0.522 175.355 176.117 -0.400 0.000 1.083 369 I CA -0.071 60.970 61.300 -0.432 0.000 1.372 369 I CB 0.134 37.655 38.000 -0.798 0.000 1.408 369 I HN -0.054 nan 8.210 nan 0.000 0.516 370 Y N 7.367 127.724 120.300 0.094 0.000 2.621 370 Y HA 0.330 4.881 4.550 0.001 0.000 0.334 370 Y C -1.584 174.199 175.900 -0.195 0.000 1.074 370 Y CA -1.937 56.149 58.100 -0.022 0.000 1.149 370 Y CB 0.473 38.959 38.460 0.042 0.000 1.302 370 Y HN 0.370 nan 8.280 nan 0.000 0.501 371 P HA -0.278 nan 4.420 nan 0.000 0.217 371 P C 1.327 178.614 177.300 -0.022 0.000 1.158 371 P CA 2.594 65.725 63.100 0.051 0.000 0.887 371 P CB 0.096 31.881 31.700 0.142 0.000 0.792 372 R N -0.897 119.544 120.500 -0.098 0.000 2.139 372 R HA -0.225 4.116 4.340 0.001 0.000 0.243 372 R C 1.872 178.005 176.300 -0.278 0.000 1.145 372 R CA 1.766 57.748 56.100 -0.198 0.000 0.976 372 R CB -1.812 28.318 30.300 -0.283 0.000 0.866 372 R HN 0.357 nan 8.270 nan 0.000 0.449 373 H N 0.027 119.004 119.070 -0.155 0.000 2.363 373 H HA -0.007 4.549 4.556 0.001 0.000 0.301 373 H C 2.116 177.299 175.328 -0.241 0.000 1.074 373 H CA 1.408 57.305 56.048 -0.251 0.000 1.354 373 H CB -0.476 29.027 29.762 -0.432 0.000 1.397 373 H HN 0.243 nan 8.280 nan 0.000 0.516 374 F N 0.825 120.716 119.950 -0.099 0.000 2.134 374 F HA -0.154 4.373 4.527 0.001 0.000 0.299 374 F C 2.616 178.375 175.800 -0.068 0.000 1.097 374 F CA 0.415 58.330 58.000 -0.141 0.000 1.264 374 F CB -0.209 38.639 39.000 -0.252 0.000 1.001 374 F HN -0.012 nan 8.300 nan 0.000 0.479 375 L N -0.385 120.905 121.223 0.112 0.000 2.005 375 L HA -0.188 4.152 4.340 0.001 0.000 0.207 375 L C 2.813 179.737 176.870 0.090 0.000 1.072 375 L CA 1.107 55.997 54.840 0.084 0.000 0.744 375 L CB -1.001 41.077 42.059 0.032 0.000 0.895 375 L HN 0.099 nan 8.230 nan 0.000 0.433 376 A N -0.677 122.170 122.820 0.045 0.000 1.997 376 A HA -0.256 4.064 4.320 0.001 0.000 0.221 376 A C 2.320 179.943 177.584 0.064 0.000 1.172 376 A CA 2.506 54.568 52.037 0.042 0.000 0.645 376 A CB -0.946 18.059 19.000 0.009 0.000 0.813 376 A HN 0.438 nan 8.150 nan 0.000 0.454 377 T N -0.221 114.378 114.554 0.075 0.000 2.701 377 T HA 0.039 4.389 4.350 0.001 0.000 0.263 377 T C 2.276 177.044 174.700 0.114 0.000 1.040 377 T CA 1.636 63.786 62.100 0.083 0.000 1.147 377 T CB -0.429 68.493 68.868 0.090 0.000 0.865 377 T HN 0.621 nan 8.240 nan 0.000 0.426 378 A N 1.395 124.317 122.820 0.169 0.000 1.930 378 A HA -0.082 4.238 4.320 0.001 0.000 0.217 378 A C 2.182 179.900 177.584 0.223 0.000 1.175 378 A CA 1.905 54.108 52.037 0.278 0.000 0.627 378 A CB -0.525 18.763 19.000 0.479 0.000 0.815 378 A HN 0.498 nan 8.150 nan 0.000 0.443 379 K N -0.097 120.397 120.400 0.156 0.000 2.009 379 K HA -0.144 4.176 4.320 0.001 0.000 0.210 379 K C 1.762 178.420 176.600 0.097 0.000 1.049 379 K CA 1.992 58.348 56.287 0.115 0.000 0.929 379 K CB -0.328 32.224 32.500 0.087 0.000 0.714 379 K HN 0.234 nan 8.250 nan 0.000 0.440 380 V N 1.542 121.508 119.914 0.086 0.000 2.427 380 V HA -0.189 3.932 4.120 0.001 0.000 0.248 380 V C 1.991 178.130 176.094 0.074 0.000 1.051 380 V CA 1.378 63.719 62.300 0.067 0.000 1.048 380 V CB -0.297 31.558 31.823 0.053 0.000 0.666 380 V HN 0.329 nan 8.190 nan 0.000 0.456 381 L N 0.065 121.347 121.223 0.099 0.000 2.645 381 L HA 0.242 4.582 4.340 0.001 0.000 0.234 381 L C 0.828 177.785 176.870 0.145 0.000 1.165 381 L CA -0.090 54.813 54.840 0.105 0.000 0.944 381 L CB -0.217 41.898 42.059 0.093 0.000 1.149 381 L HN 0.280 nan 8.230 nan 0.000 0.446 382 R N -0.099 120.483 120.500 0.138 0.000 3.516 382 R HA -0.231 4.110 4.340 0.001 0.000 0.271 382 R C -0.392 176.023 176.300 0.191 0.000 1.098 382 R CA 0.594 56.771 56.100 0.129 0.000 0.732 382 R CB -2.313 28.042 30.300 0.092 0.000 1.152 382 R HN 0.202 nan 8.270 nan 0.000 0.455 383 F N 2.029 122.016 119.950 0.062 0.000 2.371 383 F HA 0.388 4.915 4.527 0.001 0.000 0.363 383 F C -1.752 174.099 175.800 0.084 0.000 1.122 383 F CA -2.875 55.170 58.000 0.076 0.000 1.129 383 F CB 0.951 39.999 39.000 0.080 0.000 1.173 383 F HN -0.153 nan 8.300 nan 0.000 0.489 384 P HA -0.121 nan 4.420 nan 0.000 0.257 384 P C 0.662 177.820 177.300 -0.236 0.000 1.153 384 P CA 0.713 63.650 63.100 -0.271 0.000 0.762 384 P CB 0.438 31.970 31.700 -0.281 0.000 0.743 385 E N 3.332 123.523 120.200 -0.016 0.000 2.051 385 E HA -0.167 4.183 4.350 0.001 0.000 0.192 385 E C 1.629 178.341 176.600 0.186 0.000 0.991 385 E CA 0.982 57.462 56.400 0.134 0.000 0.799 385 E CB -0.085 29.724 29.700 0.181 0.000 0.748 385 E HN 0.266 nan 8.360 nan 0.000 0.449 386 V N 0.673 120.631 119.914 0.073 0.000 2.944 386 V HA -0.250 3.870 4.120 0.001 0.000 0.265 386 V C 1.586 177.732 176.094 0.086 0.000 1.125 386 V CA 1.898 64.233 62.300 0.058 0.000 1.145 386 V CB -0.266 31.555 31.823 -0.003 0.000 0.725 386 V HN 0.302 nan 8.190 nan 0.000 0.510 387 Q N -1.880 117.932 119.800 0.021 0.000 2.392 387 Q HA 0.179 4.519 4.340 0.001 0.000 0.219 387 Q C 2.047 178.136 176.000 0.147 0.000 0.895 387 Q CA 0.446 56.276 55.803 0.044 0.000 0.929 387 Q CB 0.300 28.924 28.738 -0.190 0.000 1.077 387 Q HN 0.508 nan 8.270 nan 0.000 0.532 388 M N -0.469 119.229 119.600 0.162 0.000 2.248 388 M HA -0.076 4.404 4.480 0.001 0.000 0.265 388 M C 1.701 178.081 176.300 0.134 0.000 1.079 388 M CA 1.340 56.769 55.300 0.215 0.000 1.150 388 M CB -0.305 32.441 32.600 0.243 0.000 1.366 388 M HN 0.325 nan 8.290 nan 0.000 0.433 389 H N -0.272 118.907 119.070 0.183 0.000 2.352 389 H HA -0.207 4.349 4.556 0.001 0.000 0.299 389 H C 1.895 177.373 175.328 0.250 0.000 1.097 389 H CA 2.000 58.239 56.048 0.318 0.000 1.311 389 H CB -0.154 29.809 29.762 0.336 0.000 1.377 389 H HN 0.515 nan 8.280 nan 0.000 0.504 390 E N 0.823 121.209 120.200 0.310 0.000 2.085 390 E HA -0.147 4.203 4.350 0.001 0.000 0.194 390 E C 2.274 178.972 176.600 0.164 0.000 0.994 390 E CA 0.917 57.457 56.400 0.233 0.000 0.801 390 E CB -0.011 29.833 29.700 0.240 0.000 0.743 390 E HN 0.406 nan 8.360 nan 0.000 0.453 391 I N 0.786 121.430 120.570 0.122 0.000 2.110 391 I HA -0.286 3.884 4.170 0.001 0.000 0.236 391 I C 2.543 178.744 176.117 0.139 0.000 1.068 391 I CA 0.870 62.212 61.300 0.071 0.000 1.333 391 I CB -0.321 37.672 38.000 -0.012 0.000 1.054 391 I HN 0.220 nan 8.210 nan 0.000 0.402 392 L N 0.100 121.286 121.223 -0.061 0.000 2.081 392 L HA -0.285 4.056 4.340 0.001 0.000 0.212 392 L C 2.710 179.454 176.870 -0.211 0.000 1.080 392 L CA 1.320 56.005 54.840 -0.258 0.000 0.754 392 L CB -0.688 40.945 42.059 -0.710 0.000 0.893 392 L HN 0.337 nan 8.230 nan 0.000 0.433 393 S N 0.002 115.625 115.700 -0.128 0.000 2.404 393 S HA -0.259 4.212 4.470 0.001 0.000 0.216 393 S C 1.695 176.347 174.600 0.088 0.000 1.039 393 S CA 1.719 59.977 58.200 0.095 0.000 1.062 393 S CB -0.314 63.033 63.200 0.246 0.000 1.046 393 S HN 0.415 nan 8.310 nan 0.000 0.415 394 D N -0.029 120.400 120.400 0.048 0.000 2.248 394 D HA -0.176 4.465 4.640 0.001 0.000 0.191 394 D C 1.747 178.023 176.300 -0.040 0.000 1.013 394 D CA 1.666 55.646 54.000 -0.033 0.000 0.883 394 D CB -0.386 40.335 40.800 -0.131 0.000 0.915 394 D HN 0.428 nan 8.370 nan 0.000 0.448 395 F N 1.265 121.205 119.950 -0.016 0.000 2.095 395 F HA -0.216 4.312 4.527 0.001 0.000 0.298 395 F C 2.640 178.438 175.800 -0.004 0.000 1.104 395 F CA 1.207 59.202 58.000 -0.008 0.000 1.232 395 F CB -0.850 38.120 39.000 -0.049 0.000 0.987 395 F HN -0.074 nan 8.300 nan 0.000 0.475 396 A N 0.702 123.592 122.820 0.116 0.000 1.917 396 A HA -0.272 4.049 4.320 0.001 0.000 0.219 396 A C 2.214 179.912 177.584 0.190 0.000 1.182 396 A CA 2.349 54.364 52.037 -0.037 0.000 0.633 396 A CB -0.857 18.150 19.000 0.011 0.000 0.819 396 A HN 0.549 nan 8.150 nan 0.000 0.448 397 R N -1.654 118.940 120.500 0.157 0.000 2.246 397 R HA 0.263 4.603 4.340 0.001 0.000 0.199 397 R C 1.778 178.155 176.300 0.128 0.000 0.984 397 R CA 1.249 57.437 56.100 0.146 0.000 1.015 397 R CB -0.230 30.127 30.300 0.096 0.000 0.930 397 R HN 0.487 nan 8.270 nan 0.000 0.475 398 M N 0.364 120.036 119.600 0.120 0.000 2.738 398 M HA 0.179 4.659 4.480 0.001 0.000 0.256 398 M C 2.112 178.478 176.300 0.110 0.000 1.253 398 M CA 0.633 55.976 55.300 0.072 0.000 1.223 398 M CB -0.062 32.530 32.600 -0.012 0.000 1.263 398 M HN -0.009 nan 8.290 nan 0.000 0.521 399 I N 1.048 121.740 120.570 0.203 0.000 2.103 399 I HA -0.320 3.850 4.170 0.001 0.000 0.241 399 I C -0.729 175.436 176.117 0.081 0.000 1.036 399 I CA 2.232 63.658 61.300 0.210 0.000 1.300 399 I CB -1.738 36.495 38.000 0.388 0.000 1.010 399 I HN 0.139 nan 8.210 nan 0.000 0.406 400 P HA -0.291 nan 4.420 nan 0.000 0.217 400 P C 1.355 178.640 177.300 -0.025 0.000 1.162 400 P CA 2.460 65.502 63.100 -0.097 0.000 0.901 400 P CB -0.081 31.560 31.700 -0.098 0.000 0.793 401 A N -0.854 121.971 122.820 0.008 0.000 1.929 401 A HA 0.017 4.337 4.320 0.001 0.000 0.216 401 A C 2.285 179.872 177.584 0.004 0.000 1.176 401 A CA 1.717 53.758 52.037 0.006 0.000 0.628 401 A CB -1.519 17.488 19.000 0.011 0.000 0.816 401 A HN 0.184 nan 8.150 nan 0.000 0.444 402 A N 0.345 123.172 122.820 0.012 0.000 1.859 402 A HA -0.156 4.165 4.320 0.001 0.000 0.217 402 A C 2.015 179.593 177.584 -0.010 0.000 1.198 402 A CA 1.640 53.677 52.037 -0.001 0.000 0.629 402 A CB -0.884 18.131 19.000 0.024 0.000 0.830 402 A HN 0.484 nan 8.150 nan 0.000 0.446 403 L N -0.629 120.603 121.223 0.015 0.000 2.450 403 L HA -0.212 4.128 4.340 0.001 0.000 0.225 403 L C 1.405 178.300 176.870 0.042 0.000 1.145 403 L CA 1.131 55.996 54.840 0.041 0.000 0.801 403 L CB -0.607 41.488 42.059 0.060 0.000 0.924 403 L HN 0.403 nan 8.230 nan 0.000 0.447 404 D N -1.175 119.234 120.400 0.015 0.000 2.414 404 D HA -0.060 4.580 4.640 0.001 0.000 0.237 404 D C 1.886 178.189 176.300 0.004 0.000 0.975 404 D CA 0.471 54.480 54.000 0.015 0.000 0.917 404 D CB -0.244 40.560 40.800 0.007 0.000 1.061 404 D HN 0.081 nan 8.370 nan 0.000 0.480 405 N N 0.874 119.568 118.700 -0.009 0.000 2.192 405 N HA -0.114 4.626 4.740 0.001 0.000 0.188 405 N C 1.851 177.343 175.510 -0.031 0.000 1.013 405 N CA 0.592 53.631 53.050 -0.018 0.000 0.863 405 N CB 0.006 38.478 38.487 -0.025 0.000 0.990 405 N HN 0.074 nan 8.380 nan 0.000 0.430 406 V N 1.576 121.459 119.914 -0.051 0.000 2.379 406 V HA -0.153 3.967 4.120 0.001 0.000 0.245 406 V C 2.248 178.327 176.094 -0.025 0.000 1.044 406 V CA 1.302 63.548 62.300 -0.090 0.000 1.036 406 V CB -0.326 31.367 31.823 -0.218 0.000 0.664 406 V HN 0.252 nan 8.190 nan 0.000 0.453 407 K N 0.548 120.967 120.400 0.032 0.000 2.113 407 K HA -0.194 4.127 4.320 0.001 0.000 0.208 407 K C 2.112 178.727 176.600 0.025 0.000 1.047 407 K CA 2.012 58.332 56.287 0.055 0.000 0.928 407 K CB -0.472 32.068 32.500 0.065 0.000 0.716 407 K HN 0.712 nan 8.250 nan 0.000 0.446 408 T N -1.154 113.409 114.554 0.014 0.000 3.055 408 T HA -0.053 4.298 4.350 0.001 0.000 0.265 408 T C 1.525 176.231 174.700 0.011 0.000 1.111 408 T CA 0.926 63.033 62.100 0.013 0.000 1.118 408 T CB -0.050 68.823 68.868 0.010 0.000 0.909 408 T HN 0.111 nan 8.240 nan 0.000 0.501 409 S N 0.738 116.438 115.700 0.001 0.000 2.506 409 S HA 0.525 4.995 4.470 0.001 0.000 0.245 409 S C -0.040 174.571 174.600 0.018 0.000 1.088 409 S CA -0.875 57.331 58.200 0.010 0.000 1.099 409 S CB -0.618 62.581 63.200 -0.001 0.000 0.805 409 S HN 0.390 nan 8.310 nan 0.000 0.461 410 L N 1.206 122.430 121.223 0.000 0.000 2.334 410 L HA 0.593 4.934 4.340 0.001 0.000 0.272 410 L C -1.954 174.933 176.870 0.028 0.000 1.020 410 L CA -2.545 52.272 54.840 -0.039 0.000 0.812 410 L CB 1.070 43.027 42.059 -0.171 0.000 1.264 410 L HN 0.145 nan 8.230 nan 0.000 0.439 411 P HA 0.008 nan 4.420 nan 0.000 0.278 411 P C 0.600 177.973 177.300 0.122 0.000 1.270 411 P CA -0.163 62.997 63.100 0.100 0.000 0.800 411 P CB 0.417 32.199 31.700 0.137 0.000 1.142 412 T N -3.624 110.990 114.554 0.101 0.000 2.953 412 T HA -0.073 4.277 4.350 0.001 0.000 0.247 412 T C 0.995 175.755 174.700 0.101 0.000 1.029 412 T CA 0.803 62.955 62.100 0.087 0.000 1.144 412 T CB -0.722 68.179 68.868 0.055 0.000 0.870 412 T HN 0.449 nan 8.240 nan 0.000 0.446 413 D N 0.366 120.822 120.400 0.094 0.000 2.324 413 D HA 0.045 4.686 4.640 0.001 0.000 0.235 413 D C 0.051 176.395 176.300 0.073 0.000 1.095 413 D CA -0.572 53.466 54.000 0.064 0.000 0.871 413 D CB -0.694 40.123 40.800 0.029 0.000 0.906 413 D HN 0.420 nan 8.370 nan 0.000 0.522 414 F N 3.669 123.628 119.950 0.014 0.000 2.472 414 F HA 0.195 4.722 4.527 0.001 0.000 0.364 414 F C -1.647 174.159 175.800 0.011 0.000 1.090 414 F CA -2.610 55.404 58.000 0.023 0.000 1.188 414 F CB 0.609 39.645 39.000 0.060 0.000 1.105 414 F HN -0.204 nan 8.300 nan 0.000 0.536 415 P HA -0.134 nan 4.420 nan 0.000 0.247 415 P C 0.232 177.500 177.300 -0.052 0.000 1.147 415 P CA 0.515 63.453 63.100 -0.270 0.000 0.964 415 P CB 0.455 31.903 31.700 -0.419 0.000 0.944 416 E N 3.776 124.003 120.200 0.046 0.000 2.333 416 E HA -0.233 4.118 4.350 0.001 0.000 0.200 416 E C 1.754 178.373 176.600 0.033 0.000 1.010 416 E CA 1.515 57.966 56.400 0.085 0.000 0.841 416 E CB -0.093 29.640 29.700 0.055 0.000 0.757 416 E HN 0.467 nan 8.360 nan 0.000 0.508 417 N N -0.602 118.087 118.700 -0.017 0.000 2.376 417 N HA -0.092 4.648 4.740 0.001 0.000 0.177 417 N C 1.701 177.179 175.510 -0.053 0.000 1.024 417 N CA 0.922 53.951 53.050 -0.035 0.000 0.893 417 N CB -0.312 38.147 38.487 -0.046 0.000 0.980 417 N HN 0.100 nan 8.380 nan 0.000 0.439 418 V N 1.546 121.414 119.914 -0.078 0.000 2.233 418 V HA -0.214 3.906 4.120 0.001 0.000 0.247 418 V C 2.722 178.736 176.094 -0.133 0.000 1.050 418 V CA 1.468 63.708 62.300 -0.099 0.000 1.010 418 V CB -0.542 31.200 31.823 -0.136 0.000 0.637 418 V HN 0.112 nan 8.190 nan 0.000 0.444 419 V N -0.104 119.726 119.914 -0.139 0.000 2.317 419 V HA -0.347 3.774 4.120 0.001 0.000 0.251 419 V C 2.539 178.569 176.094 -0.106 0.000 1.065 419 V CA 2.740 64.883 62.300 -0.262 0.000 1.049 419 V CB -1.172 30.595 31.823 -0.093 0.000 0.651 419 V HN 0.666 nan 8.190 nan 0.000 0.450 420 T N 0.452 114.975 114.554 -0.053 0.000 2.635 420 T HA -0.232 4.118 4.350 0.001 0.000 0.267 420 T C 1.943 176.617 174.700 -0.043 0.000 1.040 420 T CA 1.902 63.981 62.100 -0.036 0.000 1.156 420 T CB -0.483 68.367 68.868 -0.030 0.000 0.863 420 T HN 0.610 nan 8.240 nan 0.000 0.430 421 A N 0.238 123.033 122.820 -0.041 0.000 2.119 421 A HA 0.131 4.451 4.320 0.001 0.000 0.217 421 A C 2.390 179.987 177.584 0.021 0.000 1.153 421 A CA 0.776 52.796 52.037 -0.028 0.000 0.692 421 A CB -0.410 18.583 19.000 -0.012 0.000 0.799 421 A HN 0.381 nan 8.150 nan 0.000 0.458 422 V N 0.139 120.077 119.914 0.039 0.000 2.490 422 V HA -0.137 3.983 4.120 0.001 0.000 0.238 422 V C 2.355 178.525 176.094 0.128 0.000 1.056 422 V CA 1.530 63.938 62.300 0.179 0.000 1.075 422 V CB -0.639 31.248 31.823 0.107 0.000 0.746 422 V HN 0.851 nan 8.190 nan 0.000 0.479 423 E N 1.723 121.965 120.200 0.070 0.000 2.401 423 E HA -0.185 4.165 4.350 0.001 0.000 0.199 423 E C 1.920 178.504 176.600 -0.026 0.000 1.023 423 E CA 1.516 57.951 56.400 0.058 0.000 0.859 423 E CB -0.223 29.524 29.700 0.079 0.000 0.780 423 E HN 0.683 nan 8.360 nan 0.000 0.523 424 S N 0.805 116.465 115.700 -0.067 0.000 2.348 424 S HA -0.065 4.405 4.470 0.001 0.000 0.219 424 S C 1.852 176.330 174.600 -0.203 0.000 1.033 424 S CA 0.691 58.821 58.200 -0.116 0.000 0.974 424 S CB -0.367 62.764 63.200 -0.115 0.000 0.868 424 S HN 0.235 nan 8.310 nan 0.000 0.459 425 N N 1.680 120.174 118.700 -0.342 0.000 2.142 425 N HA 0.001 4.742 4.740 0.001 0.000 0.186 425 N C 1.880 177.082 175.510 -0.513 0.000 1.023 425 N CA 1.346 54.008 53.050 -0.646 0.000 0.852 425 N CB -0.609 36.971 38.487 -1.513 0.000 0.998 425 N HN 0.287 nan 8.380 nan 0.000 0.424 426 V N 1.981 121.747 119.914 -0.247 0.000 2.469 426 V HA -0.174 3.947 4.120 0.001 0.000 0.251 426 V C 2.362 178.388 176.094 -0.113 0.000 1.064 426 V CA 1.198 63.449 62.300 -0.081 0.000 1.066 426 V CB -0.416 31.441 31.823 0.057 0.000 0.667 426 V HN 0.249 nan 8.190 nan 0.000 0.461 427 L N -0.613 120.540 121.223 -0.116 0.000 2.131 427 L HA -0.075 4.265 4.340 0.001 0.000 0.206 427 L C 2.687 179.515 176.870 -0.069 0.000 1.087 427 L CA 1.365 56.143 54.840 -0.104 0.000 0.767 427 L CB -0.469 41.519 42.059 -0.117 0.000 0.917 427 L HN 0.256 nan 8.230 nan 0.000 0.441 428 R N 0.594 121.017 120.500 -0.129 0.000 2.075 428 R HA -0.135 4.205 4.340 0.001 0.000 0.232 428 R C 2.231 178.479 176.300 -0.088 0.000 1.126 428 R CA 1.288 57.325 56.100 -0.106 0.000 0.963 428 R CB -0.108 30.093 30.300 -0.165 0.000 0.858 428 R HN 0.277 nan 8.270 nan 0.000 0.435 429 L N -0.160 120.952 121.223 -0.186 0.000 2.072 429 L HA -0.159 4.181 4.340 0.001 0.000 0.205 429 L C 2.793 179.586 176.870 -0.127 0.000 1.079 429 L CA 1.226 55.912 54.840 -0.256 0.000 0.752 429 L CB -0.852 40.828 42.059 -0.631 0.000 0.906 429 L HN 0.411 nan 8.230 nan 0.000 0.436 430 H N 0.784 119.735 119.070 -0.198 0.000 2.426 430 H HA -0.155 4.401 4.556 0.001 0.000 0.298 430 H C 1.898 177.245 175.328 0.032 0.000 1.107 430 H CA 1.653 57.661 56.048 -0.067 0.000 1.298 430 H CB -0.085 29.651 29.762 -0.044 0.000 1.377 430 H HN 0.308 nan 8.280 nan 0.000 0.519 431 G N 0.923 109.874 108.800 0.251 0.000 2.440 431 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 431 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 431 G C 1.995 176.984 174.900 0.149 0.000 1.154 431 G CA 0.660 45.890 45.100 0.217 0.000 0.767 431 G HN 0.417 nan 8.290 nan 0.000 0.552 432 R N -0.297 120.286 120.500 0.139 0.000 2.200 432 R HA 0.068 4.408 4.340 0.001 0.000 0.234 432 R C 2.401 178.811 176.300 0.182 0.000 1.127 432 R CA 0.595 56.803 56.100 0.181 0.000 0.989 432 R CB -0.277 30.078 30.300 0.092 0.000 0.869 432 R HN 0.370 nan 8.270 nan 0.000 0.459 433 L N -0.803 120.481 121.223 0.102 0.000 2.084 433 L HA -0.075 4.266 4.340 0.001 0.000 0.202 433 L C 2.592 179.515 176.870 0.089 0.000 1.074 433 L CA 0.977 55.840 54.840 0.039 0.000 0.757 433 L CB -0.609 41.366 42.059 -0.139 0.000 0.918 433 L HN 0.157 nan 8.230 nan 0.000 0.444 434 S N 0.647 116.359 115.700 0.020 0.000 2.374 434 S HA -0.235 4.235 4.470 0.001 0.000 0.227 434 S C 1.974 176.665 174.600 0.153 0.000 1.037 434 S CA 1.452 59.718 58.200 0.110 0.000 1.024 434 S CB -0.245 63.054 63.200 0.164 0.000 0.861 434 S HN 0.341 nan 8.310 nan 0.000 0.456 435 R N 0.400 120.992 120.500 0.153 0.000 2.377 435 R HA 0.115 4.456 4.340 0.001 0.000 0.207 435 R C 1.643 178.038 176.300 0.158 0.000 1.075 435 R CA 0.962 57.150 56.100 0.146 0.000 1.035 435 R CB -0.040 30.350 30.300 0.151 0.000 0.857 435 R HN 0.524 nan 8.270 nan 0.000 0.475 436 E N -1.687 118.644 120.200 0.218 0.000 2.583 436 E HA 0.118 4.469 4.350 0.001 0.000 0.204 436 E C -0.319 176.375 176.600 0.157 0.000 0.860 436 E CA 0.406 56.944 56.400 0.230 0.000 1.473 436 E CB 0.496 30.437 29.700 0.402 0.000 1.469 436 E HN 0.060 nan 8.360 nan 0.000 0.788 437 Y N 0.000 120.347 120.300 0.078 0.000 2.660 437 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 437 Y CA 0.000 58.149 58.100 0.082 0.000 1.940 437 Y CB 0.000 38.513 38.460 0.088 0.000 1.050 437 Y HN 0.000 nan 8.280 nan 0.000 0.758