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 1jff_1_B DATA FIRST_RESID 2 DATA SEQUENCE REIVHIQAGQ CGNQIGAKFW EVISDEHGID PTGSYHGDSD LQLXXERINV DATA SEQUENCE YYNEAAGNKY VPRAILVDLE PGTMDSVRSG PFGQIFRPDN FVFGQSGAGN DATA SEQUENCE NWAKGHYTEG AELVDSVLDV VRKESESCDC LQGFQLTHSL GGGTGSGMGT DATA SEQUENCE LLISKIREEY PDRIMNTFSV VPSPKVSDTV VEPYNATLSV HQLVENTDET DATA SEQUENCE YCIDNEALYD ICFRTLKLTT PTYGDLNHLV SATMSGVTTC LRFPGQLNAD DATA SEQUENCE LRKLAVNMVP FPRLHFFMPG FAPLTSRGSQ QYRALTVPEL TQQMFDAKNM DATA SEQUENCE MAACDPRHGR YLTVAAVFRG RMSMKEVDEQ MLNVQNKNSS YFVEWIPNNV DATA SEQUENCE KTAVCDIPPX XXXXXXXRGL KMSATFIGNS TAIQELFKRI SEQFTAMFRR DATA SEQUENCE KAFLHWYTGE GMDEMEFTEA ESNMNDLVSE YQQYQD 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.215 176.300 -0.142 0.000 0.893 2 R CA 0.000 56.036 56.100 -0.107 0.000 0.921 2 R CB 0.000 30.237 30.300 -0.104 0.000 0.687 3 E N 0.207 120.303 120.200 -0.173 0.000 2.447 3 E HA 0.634 4.653 4.350 -0.552 0.000 0.279 3 E C -1.232 175.215 176.600 -0.255 0.000 1.053 3 E CA -0.808 55.467 56.400 -0.209 0.000 0.840 3 E CB 2.737 32.335 29.700 -0.169 0.000 1.409 3 E HN 0.311 nan 8.360 nan 0.000 0.461 4 I N 0.432 120.850 120.570 -0.253 0.000 2.984 4 I HA 0.337 4.176 4.170 -0.552 0.000 0.303 4 I C -1.392 174.688 176.117 -0.061 0.000 1.381 4 I CA -1.164 60.002 61.300 -0.224 0.000 0.988 4 I CB 2.478 40.370 38.000 -0.180 0.000 1.307 4 I HN 0.335 nan 8.210 nan 0.000 0.460 5 V N 0.104 120.022 119.914 0.006 0.000 2.445 5 V HA 0.435 4.224 4.120 -0.552 0.000 0.283 5 V C -0.139 176.169 176.094 0.357 0.000 1.014 5 V CA -0.502 61.917 62.300 0.199 0.000 0.852 5 V CB 1.072 32.972 31.823 0.129 0.000 1.021 5 V HN 0.881 nan 8.190 nan 0.000 0.435 6 H N 5.302 124.600 119.070 0.381 0.000 2.998 6 H HA 0.366 4.585 4.556 -0.562 0.000 0.353 6 H C -1.066 174.441 175.328 0.298 0.000 1.099 6 H CA 0.726 56.994 56.048 0.366 0.000 1.393 6 H CB 1.000 31.122 29.762 0.600 0.000 1.343 6 H HN 0.739 nan 8.280 nan 0.000 0.609 7 I N 4.275 124.553 120.570 -0.487 0.000 2.531 7 I HA 0.017 3.856 4.170 -0.552 0.000 0.283 7 I C -0.469 175.363 176.117 -0.474 0.000 1.083 7 I CA -0.368 60.723 61.300 -0.349 0.000 1.071 7 I CB 1.807 39.727 38.000 -0.134 0.000 1.210 7 I HN 0.564 nan 8.210 nan 0.000 0.450 8 Q N 5.659 125.287 119.800 -0.287 0.000 3.006 8 Q HA 0.440 4.448 4.340 -0.552 0.000 0.260 8 Q C 0.259 176.264 176.000 0.008 0.000 1.356 8 Q CA -0.407 55.372 55.803 -0.040 0.000 1.070 8 Q CB 0.831 29.665 28.738 0.160 0.000 1.507 8 Q HN 0.672 nan 8.270 nan 0.000 0.568 9 A N 1.423 124.238 122.820 -0.009 0.000 2.450 9 A HA 0.580 4.569 4.320 -0.552 0.000 0.255 9 A C 0.972 178.599 177.584 0.071 0.000 1.096 9 A CA 0.685 52.726 52.037 0.007 0.000 0.778 9 A CB -0.022 18.944 19.000 -0.057 0.000 1.031 9 A HN 0.765 nan 8.150 nan 0.000 0.494 10 G N 0.954 109.783 108.800 0.049 0.000 2.741 10 G HA2 -0.229 3.400 3.960 -0.552 0.000 0.222 10 G HA3 -0.229 3.400 3.960 -0.552 0.000 0.222 10 G C 0.637 175.566 174.900 0.049 0.000 1.364 10 G CA 0.539 45.672 45.100 0.055 0.000 0.866 10 G HN 1.100 nan 8.290 nan 0.000 0.555 11 Q N -1.187 118.633 119.800 0.033 0.000 2.008 11 Q HA -0.075 3.934 4.340 -0.552 0.000 0.196 11 Q C 2.924 178.932 176.000 0.013 0.000 0.973 11 Q CA 2.344 58.156 55.803 0.014 0.000 0.826 11 Q CB -0.472 28.260 28.738 -0.010 0.000 0.894 11 Q HN 1.124 nan 8.270 nan 0.000 0.439 12 C N 0.569 119.870 119.300 0.000 0.000 2.359 12 C HA -0.164 3.965 4.460 -0.552 0.000 0.279 12 C C 2.784 177.803 174.990 0.047 0.000 1.191 12 C CA 1.985 60.994 59.018 -0.014 0.000 1.764 12 C CB -1.652 26.082 27.740 -0.009 0.000 2.026 12 C HN 0.802 nan 8.230 nan 0.000 0.442 13 G N -0.329 108.529 108.800 0.097 0.000 2.562 13 G HA2 -0.366 3.263 3.960 -0.552 0.000 0.223 13 G HA3 -0.366 3.263 3.960 -0.552 0.000 0.223 13 G C 1.539 176.530 174.900 0.152 0.000 1.102 13 G CA 1.447 46.636 45.100 0.148 0.000 0.742 13 G HN 0.863 nan 8.290 nan 0.000 0.587 14 N N -0.911 117.858 118.700 0.115 0.000 2.132 14 N HA -0.086 4.323 4.740 -0.552 0.000 0.187 14 N C 2.310 177.897 175.510 0.128 0.000 1.038 14 N CA 0.523 53.649 53.050 0.126 0.000 0.846 14 N CB -0.084 38.446 38.487 0.072 0.000 1.012 14 N HN 0.190 nan 8.380 nan 0.000 0.429 15 Q N 0.770 120.610 119.800 0.067 0.000 2.118 15 Q HA -0.223 3.785 4.340 -0.552 0.000 0.211 15 Q C 2.199 178.254 176.000 0.091 0.000 0.998 15 Q CA 1.406 57.239 55.803 0.050 0.000 0.872 15 Q CB -0.392 28.330 28.738 -0.027 0.000 0.925 15 Q HN 0.580 nan 8.270 nan 0.000 0.414 16 I N 0.140 120.765 120.570 0.092 0.000 2.286 16 I HA -0.199 3.640 4.170 -0.552 0.000 0.248 16 I C 2.383 178.598 176.117 0.164 0.000 1.115 16 I CA 0.978 62.336 61.300 0.096 0.000 1.392 16 I CB -0.722 37.318 38.000 0.066 0.000 1.065 16 I HN 0.250 nan 8.210 nan 0.000 0.418 17 G N 0.887 109.860 108.800 0.288 0.000 2.476 17 G HA2 -0.332 3.296 3.960 -0.552 0.000 0.218 17 G HA3 -0.332 3.296 3.960 -0.552 0.000 0.218 17 G C 1.866 177.085 174.900 0.532 0.000 1.164 17 G CA 0.963 46.387 45.100 0.541 0.000 0.768 17 G HN 0.502 nan 8.290 nan 0.000 0.560 18 A N 0.473 123.505 122.820 0.354 0.000 1.978 18 A HA -0.061 3.927 4.320 -0.552 0.000 0.220 18 A C 2.373 180.031 177.584 0.125 0.000 1.170 18 A CA 2.174 54.376 52.037 0.274 0.000 0.636 18 A CB -0.201 18.912 19.000 0.188 0.000 0.810 18 A HN 0.313 nan 8.150 nan 0.000 0.448 19 K N -1.190 119.257 120.400 0.078 0.000 2.137 19 K HA 0.070 4.058 4.320 -0.552 0.000 0.202 19 K C 1.686 178.203 176.600 -0.139 0.000 1.052 19 K CA 1.005 57.268 56.287 -0.040 0.000 0.961 19 K CB -0.834 31.667 32.500 0.001 0.000 0.741 19 K HN 0.608 nan 8.250 nan 0.000 0.452 20 F N -0.235 119.535 119.950 -0.299 0.000 2.234 20 F HA -0.155 4.059 4.527 -0.523 0.000 0.299 20 F C 1.412 176.809 175.800 -0.672 0.000 1.087 20 F CA 1.187 58.844 58.000 -0.571 0.000 1.340 20 F CB 0.017 38.527 39.000 -0.815 0.000 1.031 20 F HN -0.037 nan 8.300 nan 0.000 0.500 21 W N 0.766 121.737 121.300 -0.548 0.000 2.640 21 W HA 0.100 4.435 4.660 -0.542 0.000 0.268 21 W C 2.305 178.419 176.519 -0.674 0.000 1.263 21 W CA 0.401 57.332 57.345 -0.690 0.000 1.344 21 W CB -0.339 28.862 29.460 -0.432 0.000 1.093 21 W HN -0.018 nan 8.180 nan 0.000 0.603 22 E N 0.451 120.369 120.200 -0.470 0.000 2.023 22 E HA -0.230 3.789 4.350 -0.552 0.000 0.196 22 E C 1.926 178.144 176.600 -0.637 0.000 1.003 22 E CA 2.093 57.965 56.400 -0.881 0.000 0.809 22 E CB -0.350 29.050 29.700 -0.500 0.000 0.755 22 E HN -0.015 nan 8.360 nan 0.000 0.449 23 V N 1.581 121.212 119.914 -0.473 0.000 2.244 23 V HA -0.316 3.472 4.120 -0.552 0.000 0.235 23 V C 2.326 178.229 176.094 -0.318 0.000 1.026 23 V CA 1.853 63.924 62.300 -0.381 0.000 0.990 23 V CB -0.654 30.926 31.823 -0.406 0.000 0.640 23 V HN 0.400 nan 8.190 nan 0.000 0.463 24 I N 0.785 121.087 120.570 -0.447 0.000 2.237 24 I HA -0.454 3.384 4.170 -0.552 0.000 0.245 24 I C 2.678 178.778 176.117 -0.028 0.000 1.013 24 I CA 2.530 63.614 61.300 -0.359 0.000 1.298 24 I CB -0.322 37.109 38.000 -0.947 0.000 0.995 24 I HN 0.719 nan 8.210 nan 0.000 0.422 25 S N 0.079 115.761 115.700 -0.030 0.000 2.351 25 S HA -0.310 3.829 4.470 -0.552 0.000 0.220 25 S C 1.851 176.552 174.600 0.168 0.000 1.035 25 S CA 1.578 59.883 58.200 0.175 0.000 1.031 25 S CB -0.800 62.506 63.200 0.176 0.000 0.928 25 S HN 0.673 nan 8.310 nan 0.000 0.433 26 D N 1.702 122.149 120.400 0.078 0.000 2.182 26 D HA -0.229 4.080 4.640 -0.552 0.000 0.201 26 D C 1.602 177.944 176.300 0.069 0.000 0.986 26 D CA 1.392 55.441 54.000 0.081 0.000 0.847 26 D CB -0.427 40.398 40.800 0.043 0.000 0.942 26 D HN 0.743 nan 8.370 nan 0.000 0.467 27 E N -1.111 119.112 120.200 0.038 0.000 2.365 27 E HA -0.093 3.926 4.350 -0.552 0.000 0.188 27 E C 0.079 176.624 176.600 -0.090 0.000 1.102 27 E CA 0.104 56.498 56.400 -0.010 0.000 0.927 27 E CB 0.019 29.689 29.700 -0.049 0.000 1.073 27 E HN 0.344 nan 8.360 nan 0.000 0.467 28 H N -1.735 117.438 119.070 0.172 0.000 3.514 28 H HA 0.112 4.335 4.556 -0.555 0.000 0.268 28 H C 0.591 176.093 175.328 0.290 0.000 1.134 28 H CA 0.428 56.622 56.048 0.243 0.000 1.071 28 H CB 0.809 30.653 29.762 0.136 0.000 2.519 28 H HN 0.286 nan 8.280 nan 0.000 0.792 29 G N 2.072 111.022 108.800 0.248 0.000 2.422 29 G HA2 -0.293 3.336 3.960 -0.552 0.000 0.301 29 G HA3 -0.293 3.336 3.960 -0.552 0.000 0.301 29 G C 0.177 175.162 174.900 0.141 0.000 0.981 29 G CA 0.628 45.791 45.100 0.105 0.000 0.994 29 G HN 0.403 nan 8.290 nan 0.000 0.514 30 I N 1.138 121.814 120.570 0.177 0.000 2.330 30 I HA 0.205 4.044 4.170 -0.552 0.000 0.286 30 I C -0.022 176.176 176.117 0.136 0.000 1.025 30 I CA -0.799 60.588 61.300 0.146 0.000 1.197 30 I CB 0.755 38.837 38.000 0.137 0.000 1.358 30 I HN 0.052 nan 8.210 nan 0.000 0.467 31 D N 7.784 128.175 120.400 -0.016 0.000 2.357 31 D HA 0.118 4.427 4.640 -0.552 0.000 0.242 31 D C -1.443 174.808 176.300 -0.083 0.000 1.153 31 D CA -1.090 52.844 54.000 -0.111 0.000 0.918 31 D CB 0.768 41.384 40.800 -0.307 0.000 1.181 31 D HN 0.175 nan 8.370 nan 0.000 0.435 32 P HA -0.251 nan 4.420 nan 0.000 0.225 32 P C 0.992 178.266 177.300 -0.043 0.000 0.810 32 P CA 2.300 65.281 63.100 -0.198 0.000 1.060 32 P CB -0.004 31.534 31.700 -0.270 0.000 0.728 33 T N -2.268 112.252 114.554 -0.058 0.000 3.001 33 T HA 0.267 4.286 4.350 -0.552 0.000 0.251 33 T C 1.036 175.713 174.700 -0.038 0.000 1.040 33 T CA 0.382 62.466 62.100 -0.026 0.000 0.985 33 T CB -0.358 68.496 68.868 -0.022 0.000 1.011 33 T HN 0.285 nan 8.240 nan 0.000 0.509 34 G N 2.026 110.790 108.800 -0.061 0.000 2.597 34 G HA2 0.273 3.901 3.960 -0.552 0.000 0.283 34 G HA3 0.273 3.901 3.960 -0.552 0.000 0.283 34 G C 0.686 175.560 174.900 -0.044 0.000 1.319 34 G CA 0.238 45.305 45.100 -0.054 0.000 1.054 34 G HN 0.476 nan 8.290 nan 0.000 0.583 35 S N -1.672 114.028 115.700 0.001 0.000 3.617 35 S HA 0.399 4.537 4.470 -0.552 0.000 0.220 35 S C -0.365 174.312 174.600 0.129 0.000 1.040 35 S CA -0.509 57.656 58.200 -0.058 0.000 1.454 35 S CB 0.433 63.551 63.200 -0.138 0.000 1.045 35 S HN 0.678 nan 8.310 nan 0.000 0.658 36 Y N 1.717 122.033 120.300 0.028 0.000 2.594 36 Y HA 0.431 4.649 4.550 -0.553 0.000 0.342 36 Y C 0.514 176.515 175.900 0.168 0.000 1.010 36 Y CA -0.674 57.503 58.100 0.129 0.000 1.270 36 Y CB -0.181 38.374 38.460 0.159 0.000 1.125 36 Y HN 0.662 nan 8.280 nan 0.000 0.513 37 H N 3.010 121.883 119.070 -0.327 0.000 2.548 37 H HA 0.207 4.432 4.556 -0.552 0.000 0.265 37 H C 1.377 176.391 175.328 -0.522 0.000 0.969 37 H CA 0.223 56.083 56.048 -0.313 0.000 1.155 37 H CB -0.081 29.585 29.762 -0.159 0.000 1.394 37 H HN 0.839 nan 8.280 nan 0.000 0.570 38 G N 1.790 110.026 108.800 -0.940 0.000 2.889 38 G HA2 -0.257 3.372 3.960 -0.552 0.000 0.299 38 G HA3 -0.257 3.372 3.960 -0.552 0.000 0.299 38 G C 0.565 175.245 174.900 -0.367 0.000 0.318 38 G CA 0.544 45.102 45.100 -0.903 0.000 1.186 38 G HN 0.439 nan 8.290 nan 0.000 0.189 39 D N 1.192 121.506 120.400 -0.144 0.000 2.228 39 D HA -0.118 4.191 4.640 -0.552 0.000 0.203 39 D C 1.970 178.251 176.300 -0.032 0.000 0.988 39 D CA 1.705 55.666 54.000 -0.065 0.000 0.864 39 D CB 0.139 40.924 40.800 -0.025 0.000 0.928 39 D HN 0.593 nan 8.370 nan 0.000 0.469 40 S N -0.038 115.669 115.700 0.011 0.000 2.721 40 S HA 0.294 4.433 4.470 -0.552 0.000 0.296 40 S C 0.352 175.070 174.600 0.197 0.000 1.093 40 S CA -0.711 57.532 58.200 0.072 0.000 0.959 40 S CB 1.665 64.897 63.200 0.052 0.000 1.301 40 S HN -0.072 nan 8.310 nan 0.000 0.550 41 D N -0.630 119.882 120.400 0.187 0.000 2.514 41 D HA 0.139 4.448 4.640 -0.552 0.000 0.225 41 D C 1.336 177.720 176.300 0.139 0.000 1.159 41 D CA -0.067 54.064 54.000 0.219 0.000 0.823 41 D CB 0.074 40.944 40.800 0.117 0.000 1.097 41 D HN 0.293 nan 8.370 nan 0.000 0.519 42 L N 0.922 122.209 121.223 0.108 0.000 2.341 42 L HA 0.089 4.097 4.340 -0.552 0.000 0.214 42 L C 1.550 178.522 176.870 0.169 0.000 1.115 42 L CA 1.238 56.110 54.840 0.053 0.000 0.820 42 L CB -0.139 41.867 42.059 -0.088 0.000 0.944 42 L HN -0.186 nan 8.230 nan 0.000 0.452 43 Q N -0.144 119.816 119.800 0.268 0.000 2.344 43 Q HA 0.114 4.123 4.340 -0.552 0.000 0.212 43 Q C -0.439 175.700 176.000 0.233 0.000 0.943 43 Q CA 0.004 56.081 55.803 0.457 0.000 0.955 43 Q CB 0.082 29.136 28.738 0.526 0.000 1.000 43 Q HN 0.317 nan 8.270 nan 0.000 0.488 48 R N 1.129 121.629 120.500 0.000 0.000 2.531 48 R HA 0.292 4.300 4.340 -0.552 0.000 0.316 48 R C 1.906 178.140 176.300 -0.111 0.000 0.955 48 R CA 0.226 56.307 56.100 -0.032 0.000 1.120 48 R CB 0.179 30.495 30.300 0.027 0.000 1.361 48 R HN 0.179 nan 8.270 nan 0.000 0.534 49 I N -1.031 119.437 120.570 -0.171 0.000 2.113 49 I HA -0.384 3.454 4.170 -0.552 0.000 0.242 49 I C 1.030 177.043 176.117 -0.175 0.000 1.064 49 I CA 1.602 62.711 61.300 -0.319 0.000 1.320 49 I CB -0.706 36.997 38.000 -0.495 0.000 1.028 49 I HN 0.036 nan 8.210 nan 0.000 0.406 50 N N 1.703 120.289 118.700 -0.190 0.000 2.287 50 N HA -0.258 4.150 4.740 -0.552 0.000 0.195 50 N C 1.902 177.362 175.510 -0.084 0.000 0.922 50 N CA 2.362 55.335 53.050 -0.128 0.000 0.929 50 N CB -1.339 37.065 38.487 -0.137 0.000 1.068 50 N HN 0.439 nan 8.380 nan 0.000 0.696 51 V N -0.497 119.320 119.914 -0.162 0.000 2.495 51 V HA -0.255 3.533 4.120 -0.552 0.000 0.260 51 V C 1.288 177.196 176.094 -0.309 0.000 1.097 51 V CA 1.858 63.980 62.300 -0.296 0.000 1.105 51 V CB -0.635 30.916 31.823 -0.454 0.000 0.678 51 V HN 0.460 nan 8.190 nan 0.000 0.469 52 Y N -4.215 116.112 120.300 0.045 0.000 2.563 52 Y HA 0.356 4.569 4.550 -0.561 0.000 0.250 52 Y C 0.519 176.290 175.900 -0.215 0.000 1.126 52 Y CA -0.777 57.333 58.100 0.017 0.000 1.231 52 Y CB 0.771 39.244 38.460 0.023 0.000 1.288 52 Y HN 0.202 nan 8.280 nan 0.000 0.537 53 Y N -0.488 119.838 120.300 0.044 0.000 2.857 53 Y HA 0.489 4.709 4.550 -0.551 0.000 0.318 53 Y C -0.336 175.524 175.900 -0.068 0.000 1.313 53 Y CA -1.823 56.261 58.100 -0.026 0.000 1.117 53 Y CB 0.850 39.276 38.460 -0.057 0.000 1.344 53 Y HN -0.270 nan 8.280 nan 0.000 0.525 54 N N 0.063 118.851 118.700 0.148 0.000 2.308 54 N HA 0.229 4.638 4.740 -0.552 0.000 0.283 54 N C -1.900 173.691 175.510 0.134 0.000 1.105 54 N CA -0.823 52.268 53.050 0.069 0.000 0.840 54 N CB 2.311 40.821 38.487 0.039 0.000 1.633 54 N HN 0.597 nan 8.380 nan 0.000 0.476 55 E N 0.993 121.247 120.200 0.091 0.000 2.130 55 E HA 0.556 4.574 4.350 -0.552 0.000 0.284 55 E C -0.003 176.668 176.600 0.119 0.000 1.018 55 E CA -0.383 56.120 56.400 0.172 0.000 0.817 55 E CB 1.439 31.206 29.700 0.112 0.000 1.078 55 E HN 0.660 nan 8.360 nan 0.000 0.396 56 A N 3.042 125.937 122.820 0.124 0.000 1.848 56 A HA 0.462 4.451 4.320 -0.552 0.000 0.184 56 A C 1.574 179.188 177.584 0.049 0.000 1.946 56 A CA 0.744 52.821 52.037 0.067 0.000 1.093 56 A CB -0.640 18.391 19.000 0.050 0.000 1.014 56 A HN 0.570 nan 8.150 nan 0.000 0.638 57 A N -1.140 121.700 122.820 0.033 0.000 1.833 57 A HA 0.414 4.403 4.320 -0.552 0.000 0.215 57 A C 1.750 179.334 177.584 -0.000 0.000 1.275 57 A CA 2.374 54.414 52.037 0.006 0.000 0.602 57 A CB -0.852 18.138 19.000 -0.017 0.000 0.929 57 A HN 1.892 nan 8.150 nan 0.000 0.462 58 G N -2.146 106.625 108.800 -0.048 0.000 4.362 58 G HA2 0.030 3.659 3.960 -0.552 0.000 0.220 58 G HA3 0.030 3.659 3.960 -0.552 0.000 0.220 58 G C 0.156 174.934 174.900 -0.203 0.000 0.795 58 G CA 0.856 45.916 45.100 -0.067 0.000 0.920 58 G HN 0.694 nan 8.290 nan 0.000 0.715 59 N N -0.296 118.254 118.700 -0.250 0.000 2.036 59 N HA 0.161 4.570 4.740 -0.552 0.000 0.228 59 N C 0.001 175.331 175.510 -0.299 0.000 1.368 59 N CA -0.033 52.849 53.050 -0.280 0.000 0.846 59 N CB 0.433 38.847 38.487 -0.121 0.000 1.145 59 N HN 0.126 nan 8.380 nan 0.000 0.502 60 K N 1.244 121.496 120.400 -0.245 0.000 2.423 60 K HA 0.212 4.201 4.320 -0.552 0.000 0.234 60 K C -1.342 175.269 176.600 0.018 0.000 1.051 60 K CA -0.400 55.824 56.287 -0.105 0.000 1.021 60 K CB 0.698 33.178 32.500 -0.032 0.000 1.474 60 K HN 0.201 nan 8.250 nan 0.000 0.474 61 Y N 2.220 122.551 120.300 0.051 0.000 2.454 61 Y HA 0.141 4.360 4.550 -0.552 0.000 0.345 61 Y C 0.746 176.799 175.900 0.255 0.000 0.970 61 Y CA -1.361 56.800 58.100 0.102 0.000 1.204 61 Y CB 0.875 39.302 38.460 -0.055 0.000 1.122 61 Y HN 0.230 nan 8.280 nan 0.000 0.514 62 V N 3.059 123.139 119.914 0.278 0.000 2.465 62 V HA 0.383 4.171 4.120 -0.552 0.000 0.279 62 V C -2.391 173.573 176.094 -0.217 0.000 1.045 62 V CA -2.944 59.373 62.300 0.028 0.000 0.938 62 V CB 0.770 32.554 31.823 -0.066 0.000 0.986 62 V HN 0.462 nan 8.190 nan 0.000 0.467 63 P HA 0.041 nan 4.420 nan 0.000 0.262 63 P C -0.491 176.373 177.300 -0.727 0.000 1.182 63 P CA 0.148 62.520 63.100 -1.213 0.000 0.761 63 P CB 0.479 30.929 31.700 -2.084 0.000 0.795 64 R N 2.448 122.707 120.500 -0.401 0.000 3.570 64 R HA 0.514 4.523 4.340 -0.552 0.000 0.233 64 R C -0.370 175.968 176.300 0.063 0.000 1.492 64 R CA -0.235 55.794 56.100 -0.117 0.000 1.504 64 R CB -0.395 29.898 30.300 -0.012 0.000 1.314 64 R HN 0.544 nan 8.270 nan 0.000 0.687 65 A N 2.619 125.439 122.820 0.000 0.000 2.437 65 A HA 0.724 4.713 4.320 -0.552 0.000 0.288 65 A C -0.841 176.814 177.584 0.118 0.000 1.201 65 A CA -0.838 51.349 52.037 0.250 0.000 0.795 65 A CB 1.189 20.545 19.000 0.595 0.000 1.359 65 A HN 0.478 nan 8.150 nan 0.000 0.435 66 I N 0.113 120.749 120.570 0.109 0.000 2.608 66 I HA 0.361 4.199 4.170 -0.552 0.000 0.295 66 I C -1.146 174.988 176.117 0.029 0.000 1.049 66 I CA -0.397 60.922 61.300 0.031 0.000 1.063 66 I CB 1.902 39.905 38.000 0.006 0.000 1.248 66 I HN 0.390 nan 8.210 nan 0.000 0.424 67 L N 6.516 127.742 121.223 0.006 0.000 2.337 67 L HA 0.495 4.503 4.340 -0.552 0.000 0.269 67 L C -0.758 176.141 176.870 0.049 0.000 1.018 67 L CA -0.787 54.073 54.840 0.033 0.000 0.876 67 L CB 1.077 43.153 42.059 0.029 0.000 1.236 67 L HN 0.270 nan 8.230 nan 0.000 0.436 68 V N 0.686 120.618 119.914 0.030 0.000 2.370 68 V HA 0.615 4.404 4.120 -0.552 0.000 0.279 68 V C -0.411 175.706 176.094 0.037 0.000 1.029 68 V CA -0.315 62.003 62.300 0.029 0.000 0.870 68 V CB 1.803 33.618 31.823 -0.014 0.000 0.984 68 V HN 0.630 nan 8.190 nan 0.000 0.451 69 D N 2.986 123.421 120.400 0.058 0.000 2.734 69 D HA 0.295 4.604 4.640 -0.552 0.000 0.224 69 D C -0.204 176.126 176.300 0.051 0.000 1.222 69 D CA -0.504 53.524 54.000 0.046 0.000 0.761 69 D CB 2.262 43.091 40.800 0.048 0.000 1.569 69 D HN 0.379 nan 8.370 nan 0.000 0.477 70 L N 1.504 122.735 121.223 0.014 0.000 2.653 70 L HA 0.310 4.319 4.340 -0.552 0.000 0.231 70 L C 0.841 177.698 176.870 -0.023 0.000 1.153 70 L CA 0.176 55.010 54.840 -0.010 0.000 0.933 70 L CB 0.180 42.223 42.059 -0.027 0.000 1.175 70 L HN 0.233 nan 8.230 nan 0.000 0.473 71 E N 1.773 121.970 120.200 -0.006 0.000 2.186 71 E HA 0.206 4.225 4.350 -0.552 0.000 0.255 71 E C -1.862 174.737 176.600 -0.003 0.000 0.881 71 E CA -1.887 54.503 56.400 -0.016 0.000 0.752 71 E CB 1.941 31.631 29.700 -0.016 0.000 1.176 71 E HN -0.121 nan 8.360 nan 0.000 0.421 72 P HA -0.197 nan 4.420 nan 0.000 0.210 72 P C 1.412 178.704 177.300 -0.014 0.000 1.185 72 P CA 1.813 64.918 63.100 0.008 0.000 0.924 72 P CB -0.097 31.597 31.700 -0.011 0.000 0.786 73 G N -0.444 108.342 108.800 -0.023 0.000 2.817 73 G HA2 -0.377 3.252 3.960 -0.552 0.000 0.226 73 G HA3 -0.377 3.252 3.960 -0.552 0.000 0.226 73 G C 1.551 176.433 174.900 -0.029 0.000 1.115 73 G CA 2.508 47.592 45.100 -0.027 0.000 0.750 73 G HN 0.293 nan 8.290 nan 0.000 0.637 74 T N 1.207 115.747 114.554 -0.023 0.000 2.520 74 T HA -0.120 3.899 4.350 -0.552 0.000 0.258 74 T C 2.457 177.134 174.700 -0.038 0.000 1.125 74 T CA 1.624 63.711 62.100 -0.021 0.000 1.206 74 T CB -0.363 68.499 68.868 -0.009 0.000 0.864 74 T HN 0.235 nan 8.240 nan 0.000 0.400 75 M N 1.045 120.618 119.600 -0.045 0.000 2.337 75 M HA -0.143 4.005 4.480 -0.552 0.000 0.261 75 M C 1.045 177.231 176.300 -0.190 0.000 1.067 75 M CA 1.392 56.633 55.300 -0.099 0.000 1.074 75 M CB -0.679 31.870 32.600 -0.085 0.000 1.395 75 M HN 0.172 nan 8.290 nan 0.000 0.431 76 D N -0.540 119.776 120.400 -0.141 0.000 2.319 76 D HA -0.017 4.292 4.640 -0.552 0.000 0.230 76 D C 1.664 177.910 176.300 -0.089 0.000 1.094 76 D CA 0.481 54.394 54.000 -0.145 0.000 0.856 76 D CB 0.188 40.928 40.800 -0.099 0.000 0.915 76 D HN 0.358 nan 8.370 nan 0.000 0.517 77 S N -1.753 113.908 115.700 -0.065 0.000 2.613 77 S HA 0.038 4.177 4.470 -0.552 0.000 0.235 77 S C 1.697 176.289 174.600 -0.012 0.000 1.073 77 S CA -0.186 57.998 58.200 -0.027 0.000 0.899 77 S CB 0.095 63.289 63.200 -0.011 0.000 0.818 77 S HN 0.059 nan 8.310 nan 0.000 0.484 78 V N 3.356 123.253 119.914 -0.029 0.000 2.719 78 V HA 0.052 3.840 4.120 -0.552 0.000 0.252 78 V C 2.704 178.788 176.094 -0.016 0.000 1.065 78 V CA 1.791 64.087 62.300 -0.007 0.000 1.086 78 V CB -0.637 31.165 31.823 -0.034 0.000 0.700 78 V HN 0.708 nan 8.190 nan 0.000 0.467 79 R N 0.786 121.233 120.500 -0.087 0.000 2.300 79 R HA 0.053 4.061 4.340 -0.552 0.000 0.199 79 R C 1.614 177.891 176.300 -0.038 0.000 0.920 79 R CA 1.034 57.086 56.100 -0.081 0.000 1.046 79 R CB -0.238 29.844 30.300 -0.364 0.000 0.984 79 R HN 0.516 nan 8.270 nan 0.000 0.493 80 S N -1.241 114.439 115.700 -0.034 0.000 2.593 80 S HA 0.343 4.482 4.470 -0.552 0.000 0.236 80 S C 0.693 175.302 174.600 0.015 0.000 0.991 80 S CA -0.299 57.892 58.200 -0.015 0.000 0.963 80 S CB 1.074 64.255 63.200 -0.031 0.000 0.865 80 S HN 0.412 nan 8.310 nan 0.000 0.488 81 G N 2.174 111.000 108.800 0.042 0.000 3.310 81 G HA2 0.608 4.237 3.960 -0.552 0.000 0.176 81 G HA3 0.608 4.237 3.960 -0.552 0.000 0.176 81 G C -1.865 173.083 174.900 0.080 0.000 1.307 81 G CA -0.871 44.266 45.100 0.062 0.000 0.935 81 G HN 0.333 nan 8.290 nan 0.000 0.628 82 P HA 0.068 nan 4.420 nan 0.000 0.211 82 P C 1.093 178.466 177.300 0.123 0.000 1.158 82 P CA 0.308 63.478 63.100 0.117 0.000 0.704 82 P CB -0.274 31.593 31.700 0.279 0.000 0.618 83 F N -0.085 119.924 119.950 0.099 0.000 2.549 83 F HA -0.011 4.188 4.527 -0.547 0.000 0.295 83 F C 2.339 178.265 175.800 0.210 0.000 1.124 83 F CA 1.152 59.226 58.000 0.124 0.000 1.482 83 F CB -1.798 37.278 39.000 0.127 0.000 1.108 83 F HN 0.131 nan 8.300 nan 0.000 0.602 84 G N -0.427 108.580 108.800 0.345 0.000 2.499 84 G HA2 -0.252 3.377 3.960 -0.552 0.000 0.221 84 G HA3 -0.252 3.377 3.960 -0.552 0.000 0.221 84 G C 1.237 176.330 174.900 0.321 0.000 1.109 84 G CA 0.376 45.654 45.100 0.298 0.000 0.749 84 G HN 0.418 nan 8.290 nan 0.000 0.568 85 Q N -0.592 119.346 119.800 0.230 0.000 2.296 85 Q HA 0.459 4.467 4.340 -0.552 0.000 0.273 85 Q C 1.177 177.274 176.000 0.163 0.000 0.900 85 Q CA -0.330 55.585 55.803 0.186 0.000 0.993 85 Q CB 0.416 29.208 28.738 0.090 0.000 1.132 85 Q HN 0.570 nan 8.270 nan 0.000 0.439 86 I N -0.972 119.731 120.570 0.221 0.000 4.139 86 I HA 0.126 3.965 4.170 -0.552 0.000 0.320 86 I C -0.446 175.637 176.117 -0.056 0.000 1.290 86 I CA -0.138 61.190 61.300 0.045 0.000 1.253 86 I CB 0.758 38.736 38.000 -0.036 0.000 1.122 86 I HN 0.010 nan 8.210 nan 0.000 0.421 87 F N 3.110 122.967 119.950 -0.156 0.000 2.495 87 F HA 0.274 4.467 4.527 -0.556 0.000 0.365 87 F C 0.786 176.404 175.800 -0.302 0.000 1.090 87 F CA -0.400 57.398 58.000 -0.338 0.000 1.235 87 F CB 0.159 38.825 39.000 -0.556 0.000 1.119 87 F HN -0.150 nan 8.300 nan 0.000 0.562 88 R N 5.192 125.614 120.500 -0.130 0.000 2.537 88 R HA 0.075 4.084 4.340 -0.552 0.000 0.280 88 R C -1.441 174.738 176.300 -0.203 0.000 1.058 88 R CA -1.488 54.551 56.100 -0.101 0.000 1.057 88 R CB 0.151 30.397 30.300 -0.089 0.000 0.973 88 R HN 0.351 nan 8.270 nan 0.000 0.438 89 P HA -0.193 nan 4.420 nan 0.000 0.218 89 P C -0.057 177.220 177.300 -0.039 0.000 1.146 89 P CA 1.391 64.559 63.100 0.113 0.000 0.820 89 P CB 0.254 32.056 31.700 0.170 0.000 0.778 90 D N -0.205 120.142 120.400 -0.088 0.000 2.221 90 D HA -0.168 4.141 4.640 -0.552 0.000 0.204 90 D C 1.754 177.970 176.300 -0.139 0.000 0.982 90 D CA 1.077 55.026 54.000 -0.085 0.000 0.857 90 D CB -1.037 39.727 40.800 -0.060 0.000 0.934 90 D HN 0.394 nan 8.370 nan 0.000 0.475 91 N N -0.411 118.127 118.700 -0.270 0.000 2.244 91 N HA -0.065 4.344 4.740 -0.552 0.000 0.183 91 N C -0.160 175.178 175.510 -0.286 0.000 1.016 91 N CA 0.081 52.951 53.050 -0.299 0.000 0.866 91 N CB -0.098 38.164 38.487 -0.375 0.000 0.980 91 N HN 0.155 nan 8.380 nan 0.000 0.430 92 F N 1.618 121.481 119.950 -0.144 0.000 2.512 92 F HA 0.089 4.284 4.527 -0.553 0.000 0.350 92 F C 0.039 175.679 175.800 -0.267 0.000 1.212 92 F CA -0.473 57.391 58.000 -0.227 0.000 1.099 92 F CB 0.256 39.057 39.000 -0.331 0.000 1.238 92 F HN -0.226 nan 8.300 nan 0.000 0.600 93 V N 6.604 126.541 119.914 0.039 0.000 2.247 93 V HA 0.162 3.951 4.120 -0.552 0.000 0.262 93 V C 0.322 176.548 176.094 0.221 0.000 1.096 93 V CA -0.745 61.602 62.300 0.080 0.000 0.895 93 V CB -0.948 30.910 31.823 0.058 0.000 1.141 93 V HN 0.519 nan 8.190 nan 0.000 0.478 94 F N 1.094 121.069 119.950 0.041 0.000 2.368 94 F HA 0.874 5.069 4.527 -0.554 0.000 0.315 94 F C 0.695 176.490 175.800 -0.009 0.000 1.145 94 F CA -0.861 57.142 58.000 0.007 0.000 1.095 94 F CB 1.512 40.504 39.000 -0.014 0.000 1.286 94 F HN 0.395 nan 8.300 nan 0.000 0.530 95 G N 1.340 110.170 108.800 0.050 0.000 3.598 95 G HA2 0.137 3.765 3.960 -0.552 0.000 0.320 95 G HA3 0.137 3.765 3.960 -0.552 0.000 0.320 95 G C -0.120 174.674 174.900 -0.177 0.000 1.560 95 G CA -0.481 44.557 45.100 -0.104 0.000 0.904 95 G HN 0.897 nan 8.290 nan 0.000 0.489 96 Q N 0.979 120.570 119.800 -0.348 0.000 2.585 96 Q HA -0.082 3.927 4.340 -0.552 0.000 0.219 96 Q C 1.518 177.425 176.000 -0.155 0.000 0.984 96 Q CA 0.621 56.268 55.803 -0.261 0.000 0.915 96 Q CB -0.010 28.524 28.738 -0.340 0.000 0.967 96 Q HN 0.571 nan 8.270 nan 0.000 0.530 97 S N -0.924 114.697 115.700 -0.131 0.000 2.775 97 S HA 0.101 4.239 4.470 -0.552 0.000 0.250 97 S C 0.524 175.082 174.600 -0.070 0.000 1.391 97 S CA 0.016 58.164 58.200 -0.086 0.000 0.972 97 S CB 0.108 63.267 63.200 -0.068 0.000 0.963 97 S HN 0.522 nan 8.310 nan 0.000 0.570 98 G N -0.064 108.703 108.800 -0.055 0.000 2.457 98 G HA2 0.478 4.107 3.960 -0.552 0.000 0.316 98 G HA3 0.478 4.107 3.960 -0.552 0.000 0.316 98 G C 0.323 175.189 174.900 -0.056 0.000 1.030 98 G CA -0.345 44.721 45.100 -0.056 0.000 1.073 98 G HN 0.837 nan 8.290 nan 0.000 0.430 99 A N 2.995 125.782 122.820 -0.055 0.000 2.190 99 A HA 0.442 4.430 4.320 -0.552 0.000 0.226 99 A C 1.632 179.182 177.584 -0.057 0.000 1.402 99 A CA 0.263 52.272 52.037 -0.047 0.000 1.288 99 A CB -0.770 18.209 19.000 -0.036 0.000 0.833 99 A HN 1.165 nan 8.150 nan 0.000 0.564 100 G N -0.044 108.709 108.800 -0.078 0.000 2.351 100 G HA2 -0.192 3.437 3.960 -0.552 0.000 0.231 100 G HA3 -0.192 3.437 3.960 -0.552 0.000 0.231 100 G C 0.580 175.423 174.900 -0.095 0.000 1.163 100 G CA 0.214 45.243 45.100 -0.118 0.000 0.861 100 G HN 0.733 nan 8.290 nan 0.000 0.500 101 N N 0.809 119.435 118.700 -0.124 0.000 2.523 101 N HA -0.057 4.352 4.740 -0.552 0.000 0.208 101 N C 0.102 175.596 175.510 -0.026 0.000 1.313 101 N CA -0.277 52.736 53.050 -0.062 0.000 0.853 101 N CB -0.185 38.255 38.487 -0.079 0.000 1.090 101 N HN 0.377 nan 8.380 nan 0.000 0.463 102 N N 0.021 118.683 118.700 -0.063 0.000 2.424 102 N HA 0.064 4.472 4.740 -0.552 0.000 0.271 102 N C 0.125 175.722 175.510 0.145 0.000 0.985 102 N CA -0.677 52.317 53.050 -0.094 0.000 0.921 102 N CB 0.516 38.834 38.487 -0.282 0.000 1.149 102 N HN 0.235 nan 8.380 nan 0.000 0.492 103 W N 4.046 125.459 121.300 0.189 0.000 2.325 103 W HA -0.196 4.126 4.660 -0.563 0.000 0.299 103 W C 1.644 178.339 176.519 0.293 0.000 1.215 103 W CA 2.059 59.572 57.345 0.279 0.000 1.244 103 W CB -0.027 29.642 29.460 0.347 0.000 1.140 103 W HN 0.706 nan 8.180 nan 0.000 0.523 104 A N -0.282 122.909 122.820 0.618 0.000 2.014 104 A HA -0.159 3.829 4.320 -0.552 0.000 0.218 104 A C 1.938 179.669 177.584 0.245 0.000 1.163 104 A CA 1.684 54.003 52.037 0.469 0.000 0.652 104 A CB -0.703 18.546 19.000 0.415 0.000 0.808 104 A HN 0.357 nan 8.150 nan 0.000 0.449 105 K N -0.870 119.601 120.400 0.118 0.000 2.366 105 K HA -0.001 3.987 4.320 -0.552 0.000 0.198 105 K C 1.356 177.974 176.600 0.031 0.000 1.044 105 K CA 0.866 57.189 56.287 0.060 0.000 0.973 105 K CB -0.137 32.363 32.500 0.000 0.000 0.767 105 K HN 0.409 nan 8.250 nan 0.000 0.475 106 G N -1.375 107.426 108.800 0.002 0.000 3.324 106 G HA2 -0.052 3.576 3.960 -0.552 0.000 0.251 106 G HA3 -0.052 3.576 3.960 -0.552 0.000 0.251 106 G C 0.699 175.507 174.900 -0.153 0.000 1.072 106 G CA -0.190 44.869 45.100 -0.068 0.000 0.787 106 G HN 0.247 nan 8.290 nan 0.000 0.537 107 H N -1.238 117.683 119.070 -0.249 0.000 2.926 107 H HA 0.237 4.459 4.556 -0.556 0.000 0.249 107 H C 0.737 175.867 175.328 -0.331 0.000 0.963 107 H CA 0.498 56.282 56.048 -0.439 0.000 1.158 107 H CB 1.000 30.170 29.762 -0.986 0.000 1.445 107 H HN 0.303 nan 8.280 nan 0.000 0.452 108 Y N -0.758 119.574 120.300 0.053 0.000 2.638 108 Y HA 0.178 4.396 4.550 -0.553 0.000 0.275 108 Y C 2.260 178.186 175.900 0.042 0.000 1.122 108 Y CA 1.039 59.189 58.100 0.084 0.000 1.266 108 Y CB 0.384 38.920 38.460 0.127 0.000 1.317 108 Y HN 0.015 nan 8.280 nan 0.000 0.501 109 T N -0.855 113.822 114.554 0.205 0.000 3.044 109 T HA 0.018 4.037 4.350 -0.552 0.000 0.237 109 T C 1.420 176.151 174.700 0.052 0.000 1.001 109 T CA 0.927 63.097 62.100 0.115 0.000 1.160 109 T CB 0.202 69.134 68.868 0.106 0.000 0.889 109 T HN 0.037 nan 8.240 nan 0.000 0.442 110 E N 1.151 121.370 120.200 0.032 0.000 2.075 110 E HA 0.149 4.168 4.350 -0.552 0.000 0.190 110 E C 2.503 179.087 176.600 -0.027 0.000 0.969 110 E CA 0.885 57.283 56.400 -0.003 0.000 0.815 110 E CB -0.860 28.833 29.700 -0.011 0.000 0.776 110 E HN 0.465 nan 8.360 nan 0.000 0.457 111 G N 1.629 110.400 108.800 -0.047 0.000 2.422 111 G HA2 -0.204 3.425 3.960 -0.552 0.000 0.218 111 G HA3 -0.204 3.425 3.960 -0.552 0.000 0.218 111 G C 1.732 176.569 174.900 -0.105 0.000 1.146 111 G CA 1.201 46.247 45.100 -0.090 0.000 0.769 111 G HN 0.355 nan 8.290 nan 0.000 0.547 112 A N 1.513 124.273 122.820 -0.100 0.000 2.084 112 A HA -0.120 3.869 4.320 -0.552 0.000 0.221 112 A C 2.204 179.748 177.584 -0.066 0.000 1.161 112 A CA 2.132 54.107 52.037 -0.103 0.000 0.653 112 A CB -0.390 18.572 19.000 -0.064 0.000 0.802 112 A HN 0.696 nan 8.150 nan 0.000 0.457 113 E N -0.853 119.321 120.200 -0.043 0.000 2.042 113 E HA -0.096 3.922 4.350 -0.552 0.000 0.189 113 E C 1.771 178.354 176.600 -0.029 0.000 0.974 113 E CA 1.007 57.389 56.400 -0.029 0.000 0.806 113 E CB -0.592 29.096 29.700 -0.019 0.000 0.769 113 E HN 0.352 nan 8.360 nan 0.000 0.451 114 L N 1.729 122.934 121.223 -0.030 0.000 2.450 114 L HA -0.079 3.929 4.340 -0.552 0.000 0.224 114 L C 2.025 178.881 176.870 -0.024 0.000 1.149 114 L CA 0.828 55.661 54.840 -0.011 0.000 0.816 114 L CB -0.051 42.006 42.059 -0.004 0.000 0.932 114 L HN 0.074 nan 8.230 nan 0.000 0.449 115 V N -0.472 119.407 119.914 -0.058 0.000 2.233 115 V HA -0.316 3.472 4.120 -0.552 0.000 0.247 115 V C 2.232 178.294 176.094 -0.053 0.000 1.050 115 V CA 2.069 64.322 62.300 -0.078 0.000 1.010 115 V CB -0.804 30.949 31.823 -0.118 0.000 0.637 115 V HN 0.424 nan 8.190 nan 0.000 0.444 116 D N 0.888 121.263 120.400 -0.043 0.000 2.158 116 D HA -0.151 4.158 4.640 -0.552 0.000 0.197 116 D C 2.292 178.585 176.300 -0.012 0.000 0.995 116 D CA 1.953 55.935 54.000 -0.029 0.000 0.846 116 D CB -0.368 40.419 40.800 -0.023 0.000 0.941 116 D HN 0.636 nan 8.370 nan 0.000 0.456 117 S N -0.439 115.262 115.700 0.001 0.000 2.603 117 S HA 0.015 4.154 4.470 -0.552 0.000 0.229 117 S C 1.819 176.429 174.600 0.017 0.000 0.972 117 S CA 0.139 58.351 58.200 0.020 0.000 0.935 117 S CB 0.106 63.334 63.200 0.048 0.000 0.769 117 S HN 0.065 nan 8.310 nan 0.000 0.536 118 V N 1.280 121.193 119.914 -0.001 0.000 2.602 118 V HA 0.143 3.931 4.120 -0.552 0.000 0.235 118 V C 2.350 178.440 176.094 -0.007 0.000 1.087 118 V CA 0.666 62.962 62.300 -0.007 0.000 1.117 118 V CB -0.818 30.987 31.823 -0.030 0.000 0.820 118 V HN 0.390 nan 8.190 nan 0.000 0.490 119 L N 0.732 121.942 121.223 -0.021 0.000 2.103 119 L HA -0.303 3.706 4.340 -0.552 0.000 0.215 119 L C 2.447 179.328 176.870 0.018 0.000 1.080 119 L CA 2.081 56.916 54.840 -0.009 0.000 0.764 119 L CB -0.869 41.171 42.059 -0.032 0.000 0.890 119 L HN 0.502 nan 8.230 nan 0.000 0.435 120 D N 0.392 120.798 120.400 0.010 0.000 2.103 120 D HA -0.169 4.140 4.640 -0.552 0.000 0.190 120 D C 2.040 178.358 176.300 0.030 0.000 0.997 120 D CA 2.046 56.056 54.000 0.017 0.000 0.833 120 D CB 0.128 40.935 40.800 0.012 0.000 0.961 120 D HN 0.193 nan 8.370 nan 0.000 0.447 121 V N 1.419 121.348 119.914 0.025 0.000 2.379 121 V HA -0.183 3.606 4.120 -0.552 0.000 0.245 121 V C 2.817 178.945 176.094 0.057 0.000 1.044 121 V CA 1.623 63.940 62.300 0.028 0.000 1.036 121 V CB -1.117 30.710 31.823 0.007 0.000 0.664 121 V HN 0.283 nan 8.190 nan 0.000 0.453 122 V N -0.141 119.814 119.914 0.068 0.000 2.794 122 V HA -0.247 3.542 4.120 -0.552 0.000 0.260 122 V C 2.282 178.499 176.094 0.206 0.000 1.103 122 V CA 2.111 64.485 62.300 0.124 0.000 1.125 122 V CB -0.890 30.986 31.823 0.088 0.000 0.702 122 V HN 0.517 nan 8.190 nan 0.000 0.494 123 R N 0.036 120.635 120.500 0.165 0.000 2.128 123 R HA 0.136 4.145 4.340 -0.552 0.000 0.211 123 R C 2.431 178.804 176.300 0.122 0.000 1.067 123 R CA 0.850 57.063 56.100 0.188 0.000 1.010 123 R CB -0.325 30.046 30.300 0.118 0.000 0.922 123 R HN 0.546 nan 8.270 nan 0.000 0.457 124 K N 1.215 121.662 120.400 0.078 0.000 2.147 124 K HA -0.143 3.845 4.320 -0.552 0.000 0.205 124 K C 1.407 178.035 176.600 0.048 0.000 1.049 124 K CA 1.321 57.638 56.287 0.050 0.000 0.936 124 K CB 0.274 32.792 32.500 0.030 0.000 0.722 124 K HN 0.041 nan 8.250 nan 0.000 0.446 125 E N 0.267 120.502 120.200 0.059 0.000 2.122 125 E HA -0.086 3.933 4.350 -0.552 0.000 0.190 125 E C 2.117 178.739 176.600 0.037 0.000 0.977 125 E CA 1.217 57.642 56.400 0.043 0.000 0.820 125 E CB 0.030 29.761 29.700 0.053 0.000 0.770 125 E HN 0.427 nan 8.360 nan 0.000 0.462 126 S N 1.505 117.251 115.700 0.077 0.000 2.368 126 S HA -0.086 4.052 4.470 -0.552 0.000 0.224 126 S C 1.495 176.122 174.600 0.045 0.000 1.029 126 S CA 0.725 58.949 58.200 0.040 0.000 0.988 126 S CB -0.205 63.089 63.200 0.156 0.000 0.838 126 S HN 0.084 nan 8.310 nan 0.000 0.462 127 E N 2.480 122.729 120.200 0.081 0.000 2.416 127 E HA 0.085 4.103 4.350 -0.552 0.000 0.189 127 E C 1.803 178.420 176.600 0.028 0.000 1.091 127 E CA 0.520 56.955 56.400 0.059 0.000 0.889 127 E CB -0.283 29.457 29.700 0.067 0.000 1.015 127 E HN 0.785 nan 8.360 nan 0.000 0.479 128 S N -0.217 115.492 115.700 0.014 0.000 2.502 128 S HA -0.142 3.996 4.470 -0.552 0.000 0.219 128 S C 1.278 175.875 174.600 -0.004 0.000 1.064 128 S CA 0.541 58.743 58.200 0.002 0.000 1.173 128 S CB -0.176 63.017 63.200 -0.011 0.000 1.118 128 S HN 0.324 nan 8.310 nan 0.000 0.406 129 C N -1.412 117.877 119.300 -0.018 0.000 3.276 129 C HA 0.583 4.711 4.460 -0.552 0.000 0.370 129 C C 0.121 175.090 174.990 -0.034 0.000 1.624 129 C CA 0.202 59.208 59.018 -0.021 0.000 1.179 129 C CB 0.822 28.549 27.740 -0.021 0.000 1.909 129 C HN 1.004 nan 8.230 nan 0.000 0.434 130 D N -0.634 119.746 120.400 -0.033 0.000 3.292 130 D HA -0.273 4.036 4.640 -0.552 0.000 0.175 130 D C -0.440 175.835 176.300 -0.043 0.000 1.192 130 D CA 1.830 55.806 54.000 -0.040 0.000 1.026 130 D CB -0.552 40.216 40.800 -0.053 0.000 0.538 130 D HN 0.849 nan 8.370 nan 0.000 0.566 131 C N 0.233 119.498 119.300 -0.057 0.000 2.369 131 C HA 0.710 4.839 4.460 -0.552 0.000 0.322 131 C C -0.397 174.533 174.990 -0.100 0.000 1.258 131 C CA -0.921 58.060 59.018 -0.063 0.000 1.487 131 C CB -0.036 27.672 27.740 -0.052 0.000 2.165 131 C HN 0.562 nan 8.230 nan 0.000 0.483 132 L N 5.063 126.213 121.223 -0.122 0.000 2.371 132 L HA 0.384 4.393 4.340 -0.552 0.000 0.272 132 L C 0.888 177.632 176.870 -0.209 0.000 1.124 132 L CA 0.759 55.473 54.840 -0.209 0.000 0.816 132 L CB 1.146 43.036 42.059 -0.281 0.000 1.129 132 L HN 0.916 nan 8.230 nan 0.000 0.448 133 Q N 3.565 123.213 119.800 -0.253 0.000 2.389 133 Q HA 0.500 4.508 4.340 -0.552 0.000 0.201 133 Q C 0.305 176.158 176.000 -0.245 0.000 0.956 133 Q CA 0.819 56.503 55.803 -0.199 0.000 0.871 133 Q CB 0.377 29.015 28.738 -0.166 0.000 0.990 133 Q HN 0.893 nan 8.270 nan 0.000 0.554 134 G N -1.430 107.145 108.800 -0.376 0.000 2.428 134 G HA2 0.453 4.082 3.960 -0.552 0.000 0.304 134 G HA3 0.453 4.082 3.960 -0.552 0.000 0.304 134 G C -1.743 172.816 174.900 -0.569 0.000 1.303 134 G CA -0.770 44.078 45.100 -0.420 0.000 0.825 134 G HN 0.085 nan 8.290 nan 0.000 0.484 135 F N 0.344 120.273 119.950 -0.035 0.000 2.520 135 F HA 0.579 4.768 4.527 -0.564 0.000 0.322 135 F C 0.131 175.975 175.800 0.074 0.000 1.103 135 F CA -1.117 56.888 58.000 0.008 0.000 0.926 135 F CB 2.143 41.118 39.000 -0.041 0.000 1.154 135 F HN 0.122 nan 8.300 nan 0.000 0.453 136 Q N 2.946 122.937 119.800 0.319 0.000 2.243 136 Q HA 0.535 4.543 4.340 -0.552 0.000 0.252 136 Q C -1.231 174.904 176.000 0.225 0.000 0.909 136 Q CA -0.754 55.234 55.803 0.309 0.000 0.922 136 Q CB 2.671 31.591 28.738 0.304 0.000 1.215 136 Q HN 0.673 nan 8.270 nan 0.000 0.427 137 L N 2.156 123.523 121.223 0.239 0.000 2.404 137 L HA 0.416 4.424 4.340 -0.552 0.000 0.272 137 L C -0.742 176.289 176.870 0.269 0.000 0.980 137 L CA -0.117 54.787 54.840 0.107 0.000 0.836 137 L CB 2.042 44.098 42.059 -0.004 0.000 1.238 137 L HN 0.692 nan 8.230 nan 0.000 0.408 138 T N 1.553 116.224 114.554 0.195 0.000 2.855 138 T HA 0.936 4.955 4.350 -0.552 0.000 0.281 138 T C -0.624 174.311 174.700 0.392 0.000 1.007 138 T CA -0.264 62.034 62.100 0.331 0.000 1.009 138 T CB 1.379 70.384 68.868 0.229 0.000 0.983 138 T HN 0.966 nan 8.240 nan 0.000 0.455 139 H N -0.465 118.676 119.070 0.119 0.000 2.866 139 H HA 0.443 4.651 4.556 -0.580 0.000 0.259 139 H C -1.761 173.632 175.328 0.108 0.000 1.442 139 H CA -0.595 55.510 56.048 0.094 0.000 1.156 139 H CB 0.355 30.166 29.762 0.082 0.000 1.785 139 H HN 0.953 nan 8.280 nan 0.000 0.456 140 S N 0.427 116.117 115.700 -0.016 0.000 2.500 140 S HA 0.487 4.626 4.470 -0.552 0.000 0.301 140 S C -0.097 174.492 174.600 -0.018 0.000 1.092 140 S CA -0.933 57.225 58.200 -0.069 0.000 1.030 140 S CB 1.392 64.600 63.200 0.014 0.000 1.031 140 S HN 0.387 nan 8.310 nan 0.000 0.483 141 L N 3.006 124.211 121.223 -0.030 0.000 2.715 141 L HA 0.392 4.401 4.340 -0.552 0.000 0.238 141 L C 1.329 178.279 176.870 0.134 0.000 1.212 141 L CA 0.377 55.270 54.840 0.087 0.000 1.017 141 L CB -0.362 41.731 42.059 0.057 0.000 1.269 141 L HN 1.042 nan 8.230 nan 0.000 0.452 142 G N -1.318 107.556 108.800 0.123 0.000 4.864 142 G HA2 0.586 4.215 3.960 -0.552 0.000 0.280 142 G HA3 0.586 4.215 3.960 -0.552 0.000 0.280 142 G C 0.195 175.178 174.900 0.139 0.000 1.239 142 G CA 0.314 45.493 45.100 0.132 0.000 0.951 142 G HN 0.400 nan 8.290 nan 0.000 0.583 143 G N -1.238 107.674 108.800 0.186 0.000 2.430 143 G HA2 0.534 4.163 3.960 -0.552 0.000 0.300 143 G HA3 0.534 4.163 3.960 -0.552 0.000 0.300 143 G C 0.596 175.608 174.900 0.186 0.000 1.330 143 G CA 0.375 45.568 45.100 0.154 0.000 0.813 143 G HN 0.552 nan 8.290 nan 0.000 0.487 144 G N -0.556 108.311 108.800 0.111 0.000 2.654 144 G HA2 0.160 3.788 3.960 -0.552 0.000 0.215 144 G HA3 0.160 3.788 3.960 -0.552 0.000 0.215 144 G C 1.863 176.786 174.900 0.038 0.000 1.310 144 G CA 2.349 47.496 45.100 0.078 0.000 0.866 144 G HN 1.413 nan 8.290 nan 0.000 0.558 145 T N 0.212 114.777 114.554 0.018 0.000 2.946 145 T HA -0.004 4.015 4.350 -0.552 0.000 0.270 145 T C 2.036 176.758 174.700 0.037 0.000 1.129 145 T CA 1.522 63.625 62.100 0.006 0.000 1.103 145 T CB -0.308 68.566 68.868 0.010 0.000 0.839 145 T HN 0.395 nan 8.240 nan 0.000 0.544 146 G N 1.747 110.603 108.800 0.093 0.000 2.664 146 G HA2 0.013 3.642 3.960 -0.552 0.000 0.216 146 G HA3 0.013 3.642 3.960 -0.552 0.000 0.216 146 G C 1.859 176.916 174.900 0.261 0.000 1.243 146 G CA 0.568 45.775 45.100 0.178 0.000 0.859 146 G HN 0.589 nan 8.290 nan 0.000 0.574 147 S N 0.779 116.658 115.700 0.297 0.000 2.355 147 S HA 0.087 4.226 4.470 -0.552 0.000 0.222 147 S C 2.383 177.129 174.600 0.244 0.000 1.031 147 S CA 1.606 60.067 58.200 0.434 0.000 0.993 147 S CB -0.859 62.703 63.200 0.602 0.000 0.859 147 S HN 0.497 nan 8.310 nan 0.000 0.453 148 G N 1.654 110.347 108.800 -0.180 0.000 2.547 148 G HA2 -0.054 3.575 3.960 -0.552 0.000 0.214 148 G HA3 -0.054 3.575 3.960 -0.552 0.000 0.214 148 G C 1.444 176.092 174.900 -0.420 0.000 1.254 148 G CA 0.779 45.400 45.100 -0.798 0.000 0.817 148 G HN 0.413 nan 8.290 nan 0.000 0.551 149 M N 1.272 120.698 119.600 -0.289 0.000 2.213 149 M HA -0.021 4.128 4.480 -0.552 0.000 0.263 149 M C 2.432 178.587 176.300 -0.242 0.000 1.062 149 M CA 1.939 57.071 55.300 -0.281 0.000 1.105 149 M CB -0.363 32.138 32.600 -0.164 0.000 1.385 149 M HN 0.282 nan 8.290 nan 0.000 0.417 150 G N -1.447 107.261 108.800 -0.154 0.000 2.430 150 G HA2 -0.151 3.478 3.960 -0.552 0.000 0.216 150 G HA3 -0.151 3.478 3.960 -0.552 0.000 0.216 150 G C 1.299 176.078 174.900 -0.200 0.000 1.146 150 G CA 1.001 45.994 45.100 -0.178 0.000 0.793 150 G HN 0.451 nan 8.290 nan 0.000 0.537 151 T N 0.286 114.780 114.554 -0.100 0.000 3.085 151 T HA 0.030 4.048 4.350 -0.552 0.000 0.263 151 T C 2.093 176.733 174.700 -0.099 0.000 1.127 151 T CA 0.838 62.942 62.100 0.007 0.000 1.103 151 T CB -0.105 68.929 68.868 0.277 0.000 0.921 151 T HN 0.147 nan 8.240 nan 0.000 0.510 152 L N 0.445 121.454 121.223 -0.357 0.000 2.145 152 L HA 0.268 4.277 4.340 -0.552 0.000 0.201 152 L C 1.813 178.504 176.870 -0.299 0.000 1.075 152 L CA 1.278 55.811 54.840 -0.512 0.000 0.773 152 L CB -0.735 40.807 42.059 -0.861 0.000 0.936 152 L HN 0.116 nan 8.230 nan 0.000 0.451 153 L N 0.288 121.350 121.223 -0.268 0.000 2.089 153 L HA -0.247 3.762 4.340 -0.552 0.000 0.213 153 L C 2.487 179.230 176.870 -0.212 0.000 1.079 153 L CA 2.341 57.051 54.840 -0.216 0.000 0.758 153 L CB -1.469 40.472 42.059 -0.198 0.000 0.891 153 L HN 0.544 nan 8.230 nan 0.000 0.433 154 I N -4.000 116.450 120.570 -0.200 0.000 2.277 154 I HA -0.059 3.780 4.170 -0.552 0.000 0.243 154 I C 2.306 178.338 176.117 -0.141 0.000 1.094 154 I CA 1.113 62.302 61.300 -0.186 0.000 1.393 154 I CB -1.212 36.699 38.000 -0.148 0.000 1.078 154 I HN -0.047 nan 8.210 nan 0.000 0.417 155 S N 0.981 116.613 115.700 -0.114 0.000 2.420 155 S HA -0.133 4.006 4.470 -0.552 0.000 0.237 155 S C 1.884 176.428 174.600 -0.094 0.000 1.023 155 S CA 1.308 59.458 58.200 -0.084 0.000 0.991 155 S CB -0.352 62.812 63.200 -0.059 0.000 0.792 155 S HN 0.438 nan 8.310 nan 0.000 0.488 156 K N 0.652 120.978 120.400 -0.123 0.000 2.128 156 K HA 0.193 4.182 4.320 -0.552 0.000 0.202 156 K C 1.983 178.523 176.600 -0.101 0.000 1.050 156 K CA 0.375 56.593 56.287 -0.114 0.000 0.966 156 K CB -0.416 32.008 32.500 -0.127 0.000 0.759 156 K HN 0.287 nan 8.250 nan 0.000 0.454 157 I N 1.439 121.931 120.570 -0.131 0.000 2.118 157 I HA -0.244 3.595 4.170 -0.552 0.000 0.241 157 I C 1.920 178.051 176.117 0.022 0.000 1.070 157 I CA 1.259 62.488 61.300 -0.119 0.000 1.327 157 I CB -0.835 36.876 38.000 -0.482 0.000 1.034 157 I HN 0.115 nan 8.210 nan 0.000 0.405 158 R N 0.749 121.228 120.500 -0.035 0.000 2.369 158 R HA -0.112 3.897 4.340 -0.552 0.000 0.200 158 R C 1.633 177.938 176.300 0.009 0.000 1.046 158 R CA 0.381 56.492 56.100 0.018 0.000 1.057 158 R CB -0.179 30.111 30.300 -0.017 0.000 0.888 158 R HN 0.570 nan 8.270 nan 0.000 0.474 159 E N -0.514 119.671 120.200 -0.024 0.000 2.453 159 E HA -0.068 3.950 4.350 -0.552 0.000 0.211 159 E C 1.062 177.601 176.600 -0.101 0.000 0.897 159 E CA 0.062 56.430 56.400 -0.053 0.000 1.063 159 E CB 0.424 30.084 29.700 -0.068 0.000 1.080 159 E HN 0.016 nan 8.360 nan 0.000 0.512 160 E N -0.301 119.799 120.200 -0.168 0.000 2.276 160 E HA -0.035 3.984 4.350 -0.552 0.000 0.193 160 E C -0.607 175.636 176.600 -0.594 0.000 0.983 160 E CA 0.754 56.860 56.400 -0.490 0.000 0.861 160 E CB 0.281 29.511 29.700 -0.784 0.000 0.817 160 E HN 0.281 nan 8.360 nan 0.000 0.485 161 Y N -1.082 119.251 120.300 0.055 0.000 2.580 161 Y HA 0.330 4.550 4.550 -0.550 0.000 0.305 161 Y C -2.195 173.757 175.900 0.085 0.000 1.069 161 Y CA -2.490 55.668 58.100 0.096 0.000 1.193 161 Y CB 0.629 39.207 38.460 0.197 0.000 1.126 161 Y HN -0.049 nan 8.280 nan 0.000 0.610 162 P HA -0.078 nan 4.420 nan 0.000 0.250 162 P C 0.157 177.516 177.300 0.097 0.000 1.239 162 P CA 1.182 64.345 63.100 0.106 0.000 0.756 162 P CB 0.706 32.436 31.700 0.050 0.000 1.013 163 D N -0.435 120.044 120.400 0.131 0.000 2.652 163 D HA 0.043 4.352 4.640 -0.552 0.000 0.261 163 D C 0.739 177.087 176.300 0.079 0.000 1.024 163 D CA 0.221 54.274 54.000 0.089 0.000 0.958 163 D CB 0.452 41.303 40.800 0.085 0.000 1.113 163 D HN 0.057 nan 8.370 nan 0.000 0.471 164 R N 2.096 122.657 120.500 0.103 0.000 2.679 164 R HA 0.118 4.126 4.340 -0.552 0.000 0.268 164 R C 0.885 177.235 176.300 0.082 0.000 1.044 164 R CA -0.149 55.964 56.100 0.021 0.000 1.105 164 R CB 0.380 30.607 30.300 -0.122 0.000 0.989 164 R HN 0.232 nan 8.270 nan 0.000 0.447 165 I N -0.523 120.066 120.570 0.031 0.000 3.211 165 I HA 0.277 4.116 4.170 -0.552 0.000 0.297 165 I C 0.382 176.595 176.117 0.161 0.000 1.095 165 I CA -0.291 61.052 61.300 0.071 0.000 1.239 165 I CB 0.202 38.226 38.000 0.040 0.000 1.455 165 I HN 0.283 nan 8.210 nan 0.000 0.630 166 M N 2.754 122.430 119.600 0.126 0.000 2.106 166 M HA 0.339 4.488 4.480 -0.552 0.000 0.241 166 M C -1.241 175.106 176.300 0.078 0.000 0.946 166 M CA -0.703 54.682 55.300 0.143 0.000 1.024 166 M CB 0.433 33.081 32.600 0.081 0.000 2.191 166 M HN 0.544 nan 8.290 nan 0.000 0.429 167 N N 1.155 119.938 118.700 0.139 0.000 2.514 167 N HA 0.518 4.927 4.740 -0.552 0.000 0.277 167 N C -0.468 175.110 175.510 0.114 0.000 1.126 167 N CA 0.242 53.379 53.050 0.145 0.000 0.978 167 N CB 1.062 39.737 38.487 0.312 0.000 1.106 167 N HN 0.304 nan 8.380 nan 0.000 0.461 168 T N 1.964 116.509 114.554 -0.015 0.000 2.841 168 T HA 0.411 4.430 4.350 -0.552 0.000 0.285 168 T C -0.930 173.785 174.700 0.025 0.000 0.991 168 T CA -0.371 61.776 62.100 0.079 0.000 0.966 168 T CB 0.194 69.108 68.868 0.077 0.000 0.962 168 T HN 0.210 nan 8.240 nan 0.000 0.438 169 F N 3.333 123.460 119.950 0.294 0.000 2.293 169 F HA 0.412 4.809 4.527 -0.216 0.000 0.370 169 F C 0.988 176.902 175.800 0.189 0.000 1.090 169 F CA -0.709 57.442 58.000 0.252 0.000 1.133 169 F CB 0.922 40.009 39.000 0.144 0.000 1.360 169 F HN 0.474 nan 8.300 nan 0.000 0.489 170 S N 1.757 117.579 115.700 0.203 0.000 2.475 170 S HA 0.624 4.763 4.470 -0.552 0.000 0.298 170 S C -0.522 174.086 174.600 0.013 0.000 1.119 170 S CA -0.764 57.408 58.200 -0.048 0.000 1.085 170 S CB 1.800 64.984 63.200 -0.026 0.000 1.028 170 S HN 0.230 nan 8.310 nan 0.000 0.489 171 V N 4.109 123.989 119.914 -0.058 0.000 2.169 171 V HA 0.185 3.974 4.120 -0.552 0.000 0.271 171 V C 0.194 176.285 176.094 -0.006 0.000 1.372 171 V CA -0.628 61.672 62.300 0.001 0.000 1.348 171 V CB -0.104 31.724 31.823 0.009 0.000 1.379 171 V HN 0.838 nan 8.190 nan 0.000 0.491 172 V N 5.055 124.975 119.914 0.009 0.000 2.790 172 V HA -0.011 3.777 4.120 -0.552 0.000 0.304 172 V C -1.771 174.330 176.094 0.012 0.000 1.142 172 V CA -0.537 61.775 62.300 0.020 0.000 1.282 172 V CB 0.311 32.147 31.823 0.021 0.000 0.877 172 V HN 0.601 nan 8.190 nan 0.000 0.504 173 P HA 0.022 nan 4.420 nan 0.000 0.257 173 P C -0.145 177.160 177.300 0.008 0.000 1.189 173 P CA 0.289 63.404 63.100 0.025 0.000 0.780 173 P CB 0.033 31.757 31.700 0.040 0.000 0.772 174 S N 6.849 122.549 115.700 0.000 0.000 2.563 174 S HA 0.064 4.203 4.470 -0.552 0.000 0.284 174 S C -1.273 173.326 174.600 -0.001 0.000 1.331 174 S CA -0.818 57.373 58.200 -0.015 0.000 1.047 174 S CB -0.307 62.874 63.200 -0.032 0.000 0.859 174 S HN 0.388 nan 8.310 nan 0.000 0.514 175 P HA -0.130 nan 4.420 nan 0.000 0.197 175 P C 1.397 178.706 177.300 0.015 0.000 1.043 175 P CA 0.819 63.920 63.100 0.002 0.000 0.815 175 P CB -0.139 31.558 31.700 -0.005 0.000 0.666 176 K N -0.729 119.682 120.400 0.019 0.000 2.324 176 K HA -0.207 3.782 4.320 -0.552 0.000 0.215 176 K C 0.349 176.967 176.600 0.029 0.000 0.924 176 K CA 1.987 58.290 56.287 0.027 0.000 0.953 176 K CB -1.817 30.704 32.500 0.036 0.000 1.058 176 K HN 0.125 nan 8.250 nan 0.000 0.504 177 V N 0.851 120.787 119.914 0.036 0.000 2.638 177 V HA 0.217 4.006 4.120 -0.552 0.000 0.306 177 V C -0.853 175.266 176.094 0.042 0.000 1.052 177 V CA -0.870 61.454 62.300 0.039 0.000 0.885 177 V CB 2.040 33.891 31.823 0.047 0.000 0.999 177 V HN 0.369 nan 8.190 nan 0.000 0.424 178 S N 2.586 118.308 115.700 0.038 0.000 2.438 178 S HA 0.254 4.393 4.470 -0.552 0.000 0.293 178 S C 0.490 175.117 174.600 0.045 0.000 1.141 178 S CA -0.563 57.661 58.200 0.039 0.000 1.080 178 S CB 0.770 63.990 63.200 0.032 0.000 0.978 178 S HN 0.767 nan 8.310 nan 0.000 0.479 179 D N 2.542 122.977 120.400 0.060 0.000 2.348 179 D HA 0.066 4.374 4.640 -0.552 0.000 0.248 179 D C 0.352 176.681 176.300 0.048 0.000 1.142 179 D CA 0.708 54.752 54.000 0.072 0.000 0.904 179 D CB 0.247 41.116 40.800 0.114 0.000 0.901 179 D HN 0.364 nan 8.370 nan 0.000 0.523 180 T N -1.688 112.884 114.554 0.030 0.000 2.711 180 T HA 0.232 4.250 4.350 -0.552 0.000 0.302 180 T C 1.063 175.751 174.700 -0.019 0.000 1.373 180 T CA -0.593 61.510 62.100 0.005 0.000 1.000 180 T CB 2.094 70.976 68.868 0.024 0.000 1.483 180 T HN -0.314 nan 8.240 nan 0.000 0.499 181 V N 0.635 120.504 119.914 -0.075 0.000 2.908 181 V HA 0.054 3.843 4.120 -0.552 0.000 0.240 181 V C 2.314 178.345 176.094 -0.106 0.000 1.117 181 V CA 0.856 63.077 62.300 -0.132 0.000 1.133 181 V CB -0.073 31.557 31.823 -0.321 0.000 0.857 181 V HN 0.794 nan 8.190 nan 0.000 0.478 182 V N -1.319 118.559 119.914 -0.060 0.000 3.306 182 V HA 0.008 3.797 4.120 -0.552 0.000 0.264 182 V C 1.996 178.176 176.094 0.142 0.000 1.149 182 V CA 1.458 63.830 62.300 0.121 0.000 1.143 182 V CB -0.471 31.614 31.823 0.437 0.000 0.767 182 V HN 0.544 nan 8.190 nan 0.000 0.476 183 E N 2.260 122.526 120.200 0.110 0.000 2.722 183 E HA -0.303 3.716 4.350 -0.552 0.000 0.245 183 E C -0.066 176.619 176.600 0.141 0.000 1.004 183 E CA 3.635 60.104 56.400 0.116 0.000 1.405 183 E CB -1.565 28.175 29.700 0.066 0.000 1.325 183 E HN 0.564 nan 8.360 nan 0.000 0.479 184 P HA -0.195 nan 4.420 nan 0.000 0.221 184 P C 0.958 178.473 177.300 0.359 0.000 1.145 184 P CA 1.712 64.914 63.100 0.170 0.000 0.795 184 P CB -0.245 31.534 31.700 0.132 0.000 0.775 185 Y N 0.924 121.350 120.300 0.210 0.000 2.114 185 Y HA -0.114 4.103 4.550 -0.555 0.000 0.284 185 Y C 2.596 178.482 175.900 -0.023 0.000 1.119 185 Y CA 0.483 58.648 58.100 0.107 0.000 1.108 185 Y CB -0.572 37.917 38.460 0.048 0.000 0.995 185 Y HN -0.040 nan 8.280 nan 0.000 0.491 186 N N 0.561 119.472 118.700 0.352 0.000 2.205 186 N HA -0.174 4.234 4.740 -0.552 0.000 0.186 186 N C 1.613 177.219 175.510 0.159 0.000 1.015 186 N CA 1.165 54.416 53.050 0.334 0.000 0.862 186 N CB -0.457 38.272 38.487 0.403 0.000 0.986 186 N HN 0.338 nan 8.380 nan 0.000 0.429 187 A N 1.075 123.958 122.820 0.106 0.000 1.832 187 A HA -0.037 3.952 4.320 -0.552 0.000 0.214 187 A C 2.382 179.902 177.584 -0.107 0.000 1.242 187 A CA 1.707 53.768 52.037 0.040 0.000 0.603 187 A CB -1.279 17.752 19.000 0.052 0.000 0.902 187 A HN 0.203 nan 8.150 nan 0.000 0.455 188 T N 0.924 115.368 114.554 -0.183 0.000 2.714 188 T HA -0.202 3.817 4.350 -0.552 0.000 0.268 188 T C 1.713 176.113 174.700 -0.500 0.000 1.036 188 T CA 1.789 63.632 62.100 -0.428 0.000 1.148 188 T CB -0.544 67.830 68.868 -0.823 0.000 0.856 188 T HN 0.331 nan 8.240 nan 0.000 0.462 189 L N 0.991 121.838 121.223 -0.627 0.000 2.141 189 L HA -0.074 3.934 4.340 -0.552 0.000 0.209 189 L C 2.808 179.431 176.870 -0.411 0.000 1.094 189 L CA 1.451 55.698 54.840 -0.989 0.000 0.763 189 L CB -0.565 40.151 42.059 -2.240 0.000 0.908 189 L HN 0.412 nan 8.230 nan 0.000 0.437 190 S N -1.344 114.342 115.700 -0.023 0.000 2.421 190 S HA -0.103 4.035 4.470 -0.552 0.000 0.224 190 S C 1.907 176.626 174.600 0.198 0.000 1.035 190 S CA 0.653 59.080 58.200 0.378 0.000 0.953 190 S CB -0.472 63.018 63.200 0.483 0.000 0.810 190 S HN 0.187 nan 8.310 nan 0.000 0.497 191 V N 2.484 122.420 119.914 0.036 0.000 2.392 191 V HA -0.245 3.543 4.120 -0.552 0.000 0.249 191 V C 2.512 178.609 176.094 0.006 0.000 1.059 191 V CA 2.772 65.043 62.300 -0.049 0.000 1.051 191 V CB -1.001 30.611 31.823 -0.352 0.000 0.658 191 V HN 0.710 nan 8.190 nan 0.000 0.455 192 H N 0.461 119.441 119.070 -0.150 0.000 2.265 192 H HA -0.249 3.974 4.556 -0.555 0.000 0.293 192 H C 2.258 177.580 175.328 -0.011 0.000 1.089 192 H CA 2.856 58.827 56.048 -0.128 0.000 1.244 192 H CB -0.524 29.117 29.762 -0.202 0.000 1.355 192 H HN 0.468 nan 8.280 nan 0.000 0.485 193 Q N -0.236 119.576 119.800 0.019 0.000 2.181 193 Q HA -0.062 3.946 4.340 -0.552 0.000 0.205 193 Q C 2.644 178.660 176.000 0.026 0.000 0.980 193 Q CA 1.496 57.306 55.803 0.012 0.000 0.862 193 Q CB -0.216 28.642 28.738 0.201 0.000 0.905 193 Q HN 0.538 nan 8.270 nan 0.000 0.429 194 L N -1.469 119.809 121.223 0.091 0.000 1.988 194 L HA -0.116 3.893 4.340 -0.552 0.000 0.207 194 L C 2.079 178.966 176.870 0.030 0.000 1.071 194 L CA 0.772 55.670 54.840 0.097 0.000 0.744 194 L CB -0.738 41.469 42.059 0.248 0.000 0.893 194 L HN 0.069 nan 8.230 nan 0.000 0.433 195 V N -0.190 119.793 119.914 0.114 0.000 3.244 195 V HA -0.194 3.594 4.120 -0.552 0.000 0.273 195 V C 1.285 177.372 176.094 -0.012 0.000 1.180 195 V CA 1.526 63.881 62.300 0.092 0.000 1.182 195 V CB -0.505 31.403 31.823 0.142 0.000 0.796 195 V HN 0.443 nan 8.190 nan 0.000 0.543 196 E N -0.986 119.187 120.200 -0.044 0.000 2.921 196 E HA 0.221 4.239 4.350 -0.552 0.000 0.203 196 E C 0.020 176.584 176.600 -0.061 0.000 0.975 196 E CA -0.014 56.349 56.400 -0.062 0.000 1.225 196 E CB 0.534 30.176 29.700 -0.096 0.000 1.048 196 E HN 0.584 nan 8.360 nan 0.000 0.477 197 N N -0.473 118.190 118.700 -0.061 0.000 3.005 197 N HA -0.016 4.393 4.740 -0.552 0.000 0.323 197 N C 0.460 175.933 175.510 -0.062 0.000 0.902 197 N CA 0.140 53.157 53.050 -0.054 0.000 1.500 197 N CB -0.031 38.426 38.487 -0.050 0.000 0.988 197 N HN -0.124 nan 8.380 nan 0.000 1.422 198 T N 2.199 116.709 114.554 -0.073 0.000 2.906 198 T HA 0.031 4.049 4.350 -0.552 0.000 0.320 198 T C 0.197 174.811 174.700 -0.144 0.000 1.088 198 T CA 0.530 62.577 62.100 -0.087 0.000 1.120 198 T CB 0.169 68.981 68.868 -0.093 0.000 1.000 198 T HN 0.324 nan 8.240 nan 0.000 0.550 199 D N 1.870 122.192 120.400 -0.129 0.000 2.535 199 D HA 0.160 4.468 4.640 -0.552 0.000 0.229 199 D C -0.295 175.886 176.300 -0.199 0.000 1.238 199 D CA -0.191 53.715 54.000 -0.158 0.000 0.824 199 D CB 0.544 41.298 40.800 -0.076 0.000 1.045 199 D HN 0.554 nan 8.370 nan 0.000 0.500 200 E N 0.199 120.213 120.200 -0.311 0.000 2.428 200 E HA 0.217 4.236 4.350 -0.552 0.000 0.307 200 E C -1.469 174.677 176.600 -0.756 0.000 0.902 200 E CA -0.379 55.727 56.400 -0.489 0.000 0.799 200 E CB 1.826 31.496 29.700 -0.049 0.000 1.351 200 E HN -0.034 nan 8.360 nan 0.000 0.392 201 T N 1.393 115.219 114.554 -1.213 0.000 2.824 201 T HA 0.447 4.466 4.350 -0.552 0.000 0.282 201 T C -0.973 173.165 174.700 -0.937 0.000 0.993 201 T CA -0.655 60.955 62.100 -0.817 0.000 0.967 201 T CB 0.532 69.141 68.868 -0.432 0.000 0.960 201 T HN 0.243 nan 8.240 nan 0.000 0.441 202 Y N 1.213 121.286 120.300 -0.377 0.000 2.587 202 Y HA 0.393 4.742 4.550 -0.335 0.000 0.328 202 Y C 0.630 176.524 175.900 -0.010 0.000 0.980 202 Y CA -1.543 56.431 58.100 -0.210 0.000 1.272 202 Y CB 0.044 38.239 38.460 -0.442 0.000 1.094 202 Y HN 0.725 nan 8.280 nan 0.000 0.503 203 C N 4.374 123.759 119.300 0.141 0.000 2.464 203 C HA 0.628 4.757 4.460 -0.552 0.000 0.370 203 C C 0.512 175.573 174.990 0.119 0.000 1.267 203 C CA -1.272 57.820 59.018 0.124 0.000 1.781 203 C CB -1.696 26.084 27.740 0.067 0.000 2.431 203 C HN 0.652 nan 8.230 nan 0.000 0.556 204 I N 2.819 123.463 120.570 0.122 0.000 2.562 204 I HA 0.407 4.246 4.170 -0.552 0.000 0.301 204 I C -0.825 175.315 176.117 0.039 0.000 1.003 204 I CA -0.146 61.214 61.300 0.100 0.000 1.127 204 I CB 1.710 39.794 38.000 0.140 0.000 1.304 204 I HN 0.536 nan 8.210 nan 0.000 0.446 205 D N 4.655 125.058 120.400 0.006 0.000 2.471 205 D HA 0.204 4.512 4.640 -0.552 0.000 0.245 205 D C 0.571 176.806 176.300 -0.108 0.000 1.116 205 D CA -0.475 53.502 54.000 -0.039 0.000 0.853 205 D CB 1.120 41.894 40.800 -0.044 0.000 1.123 205 D HN 0.343 nan 8.370 nan 0.000 0.540 206 N N 1.408 120.020 118.700 -0.146 0.000 2.242 206 N HA -0.230 4.179 4.740 -0.552 0.000 0.191 206 N C 1.361 176.412 175.510 -0.764 0.000 1.005 206 N CA 1.032 53.868 53.050 -0.358 0.000 0.877 206 N CB 0.326 38.665 38.487 -0.247 0.000 0.983 206 N HN 0.634 nan 8.380 nan 0.000 0.439 207 E N 0.369 120.318 120.200 -0.419 0.000 2.415 207 E HA 0.109 4.128 4.350 -0.552 0.000 0.197 207 E C 1.441 178.001 176.600 -0.067 0.000 1.007 207 E CA 0.293 56.533 56.400 -0.268 0.000 0.890 207 E CB 0.088 29.757 29.700 -0.052 0.000 0.891 207 E HN 0.186 nan 8.360 nan 0.000 0.496 208 A N 0.988 123.766 122.820 -0.069 0.000 2.016 208 A HA 0.035 4.024 4.320 -0.552 0.000 0.217 208 A C 2.044 179.642 177.584 0.023 0.000 1.162 208 A CA 0.518 52.553 52.037 -0.002 0.000 0.662 208 A CB -0.196 18.800 19.000 -0.007 0.000 0.812 208 A HN 0.204 nan 8.150 nan 0.000 0.450 209 L N -1.404 119.804 121.223 -0.026 0.000 2.007 209 L HA -0.039 3.970 4.340 -0.552 0.000 0.205 209 L C 2.332 179.292 176.870 0.149 0.000 1.073 209 L CA 1.626 56.482 54.840 0.028 0.000 0.744 209 L CB -1.417 40.626 42.059 -0.026 0.000 0.898 209 L HN 0.535 nan 8.230 nan 0.000 0.435 210 Y N 0.179 120.518 120.300 0.065 0.000 1.977 210 Y HA -0.444 3.780 4.550 -0.544 0.000 0.264 210 Y C 2.677 178.691 175.900 0.189 0.000 1.167 210 Y CA 1.266 59.415 58.100 0.083 0.000 1.102 210 Y CB -0.625 37.851 38.460 0.027 0.000 0.948 210 Y HN 0.386 nan 8.280 nan 0.000 0.489 211 D N 1.054 121.688 120.400 0.389 0.000 2.321 211 D HA -0.279 4.030 4.640 -0.552 0.000 0.194 211 D C 1.770 178.181 176.300 0.184 0.000 1.013 211 D CA 2.494 56.696 54.000 0.335 0.000 0.863 211 D CB -0.487 40.431 40.800 0.196 0.000 1.011 211 D HN 0.438 nan 8.370 nan 0.000 0.457 212 I N 0.211 120.853 120.570 0.119 0.000 2.761 212 I HA -0.237 3.602 4.170 -0.552 0.000 0.266 212 I C 2.607 178.768 176.117 0.073 0.000 1.239 212 I CA 0.539 61.879 61.300 0.067 0.000 1.451 212 I CB -0.288 37.751 38.000 0.065 0.000 1.096 212 I HN 0.274 nan 8.210 nan 0.000 0.465 213 C N -0.392 118.989 119.300 0.136 0.000 3.065 213 C HA 0.115 4.243 4.460 -0.552 0.000 0.285 213 C C 2.132 177.218 174.990 0.160 0.000 1.257 213 C CA -0.526 58.569 59.018 0.130 0.000 1.691 213 C CB -0.588 27.249 27.740 0.162 0.000 2.089 213 C HN 0.634 nan 8.230 nan 0.000 0.630 214 F N 2.120 122.092 119.950 0.036 0.000 2.720 214 F HA 0.334 4.528 4.527 -0.555 0.000 0.301 214 F C 1.830 177.635 175.800 0.008 0.000 1.103 214 F CA 0.530 58.535 58.000 0.009 0.000 1.291 214 F CB -0.346 38.651 39.000 -0.006 0.000 1.086 214 F HN 0.168 nan 8.300 nan 0.000 0.592 215 R N -1.312 118.887 120.500 -0.502 0.000 2.435 215 R HA 0.320 4.329 4.340 -0.552 0.000 0.221 215 R C 0.532 176.695 176.300 -0.229 0.000 0.885 215 R CA 0.904 56.677 56.100 -0.546 0.000 1.018 215 R CB -0.612 29.328 30.300 -0.599 0.000 1.259 215 R HN 0.042 nan 8.270 nan 0.000 0.597 216 T N 0.444 114.924 114.554 -0.123 0.000 3.069 216 T HA 0.354 4.372 4.350 -0.552 0.000 0.252 216 T C -0.665 174.020 174.700 -0.026 0.000 1.053 216 T CA 0.171 62.238 62.100 -0.056 0.000 0.964 216 T CB 0.267 69.124 68.868 -0.018 0.000 1.005 216 T HN -0.061 nan 8.240 nan 0.000 0.532 217 L N 1.349 122.553 121.223 -0.031 0.000 2.568 217 L HA 0.361 4.370 4.340 -0.552 0.000 0.262 217 L C 0.559 177.422 176.870 -0.012 0.000 0.980 217 L CA -0.458 54.378 54.840 -0.007 0.000 0.882 217 L CB 1.636 43.700 42.059 0.008 0.000 1.198 217 L HN -0.177 nan 8.230 nan 0.000 0.425 218 K N 1.550 121.938 120.400 -0.020 0.000 2.641 218 K HA -0.101 3.888 4.320 -0.552 0.000 0.195 218 K C 0.554 177.179 176.600 0.042 0.000 1.041 218 K CA 0.230 56.510 56.287 -0.012 0.000 0.937 218 K CB -0.244 32.253 32.500 -0.006 0.000 0.779 218 K HN 0.271 nan 8.250 nan 0.000 0.492 219 L N 1.771 123.022 121.223 0.047 0.000 2.700 219 L HA -0.128 3.881 4.340 -0.552 0.000 0.276 219 L C 0.866 177.799 176.870 0.105 0.000 1.200 219 L CA 1.258 56.133 54.840 0.058 0.000 0.951 219 L CB 0.312 42.397 42.059 0.043 0.000 1.226 219 L HN 0.088 nan 8.230 nan 0.000 0.489 220 T N 1.139 115.734 114.554 0.069 0.000 3.035 220 T HA -0.007 4.012 4.350 -0.552 0.000 0.259 220 T C 0.808 175.497 174.700 -0.018 0.000 1.078 220 T CA 1.287 63.421 62.100 0.057 0.000 1.132 220 T CB -0.165 68.725 68.868 0.038 0.000 0.900 220 T HN 0.779 nan 8.240 nan 0.000 0.480 221 T N 1.461 116.000 114.554 -0.025 0.000 3.390 221 T HA 0.337 4.356 4.350 -0.552 0.000 0.351 221 T C -2.925 171.739 174.700 -0.060 0.000 1.759 221 T CA -1.799 60.264 62.100 -0.063 0.000 1.561 221 T CB 0.748 69.589 68.868 -0.045 0.000 1.011 221 T HN 0.007 nan 8.240 nan 0.000 0.689 222 P HA 0.183 nan 4.420 nan 0.000 0.263 222 P C 0.103 177.360 177.300 -0.072 0.000 1.601 222 P CA -0.013 63.059 63.100 -0.047 0.000 1.161 222 P CB -0.012 31.678 31.700 -0.017 0.000 1.730 223 T N 2.303 116.842 114.554 -0.026 0.000 2.734 223 T HA -0.010 4.009 4.350 -0.552 0.000 0.314 223 T C 1.181 175.920 174.700 0.064 0.000 1.057 223 T CA 0.217 62.315 62.100 -0.004 0.000 1.047 223 T CB 0.377 69.271 68.868 0.045 0.000 0.991 223 T HN 0.282 nan 8.240 nan 0.000 0.540 224 Y N 0.978 121.339 120.300 0.102 0.000 2.097 224 Y HA -0.127 4.090 4.550 -0.555 0.000 0.282 224 Y C 2.779 178.743 175.900 0.106 0.000 1.152 224 Y CA 1.345 59.520 58.100 0.125 0.000 1.136 224 Y CB -0.765 37.756 38.460 0.103 0.000 0.975 224 Y HN 0.892 nan 8.280 nan 0.000 0.498 225 G N 0.091 109.055 108.800 0.273 0.000 2.597 225 G HA2 -0.387 3.242 3.960 -0.552 0.000 0.222 225 G HA3 -0.387 3.242 3.960 -0.552 0.000 0.222 225 G C 1.032 176.045 174.900 0.189 0.000 1.135 225 G CA 1.833 47.050 45.100 0.195 0.000 0.759 225 G HN 0.356 nan 8.290 nan 0.000 0.595 226 D N 0.427 120.917 120.400 0.150 0.000 2.088 226 D HA -0.075 4.233 4.640 -0.552 0.000 0.196 226 D C 2.696 179.079 176.300 0.138 0.000 0.983 226 D CA 0.575 54.632 54.000 0.094 0.000 0.846 226 D CB -0.806 40.020 40.800 0.042 0.000 0.992 226 D HN 0.227 nan 8.370 nan 0.000 0.448 227 L N 0.491 121.813 121.223 0.166 0.000 2.026 227 L HA -0.335 3.673 4.340 -0.552 0.000 0.231 227 L C 2.143 179.106 176.870 0.155 0.000 1.095 227 L CA 1.878 56.817 54.840 0.166 0.000 0.810 227 L CB -0.942 41.243 42.059 0.210 0.000 0.909 227 L HN 0.088 nan 8.230 nan 0.000 0.444 228 N N -1.023 117.788 118.700 0.185 0.000 2.037 228 N HA -0.257 4.152 4.740 -0.552 0.000 0.196 228 N C 1.816 177.395 175.510 0.115 0.000 1.034 228 N CA 1.596 54.725 53.050 0.133 0.000 0.861 228 N CB -0.672 37.895 38.487 0.133 0.000 1.039 228 N HN 0.406 nan 8.380 nan 0.000 0.427 229 H N 1.033 120.114 119.070 0.018 0.000 2.319 229 H HA -0.114 4.109 4.556 -0.554 0.000 0.297 229 H C 2.181 177.464 175.328 -0.074 0.000 1.097 229 H CA 1.664 57.695 56.048 -0.029 0.000 1.285 229 H CB -0.687 29.067 29.762 -0.015 0.000 1.368 229 H HN 0.346 nan 8.280 nan 0.000 0.495 230 L N 0.063 121.441 121.223 0.258 0.000 2.017 230 L HA -0.135 3.874 4.340 -0.552 0.000 0.208 230 L C 2.497 179.376 176.870 0.015 0.000 1.073 230 L CA 1.601 56.504 54.840 0.104 0.000 0.745 230 L CB -0.677 41.410 42.059 0.048 0.000 0.894 230 L HN 0.076 nan 8.230 nan 0.000 0.432 231 V N 0.954 120.889 119.914 0.035 0.000 2.233 231 V HA -0.337 3.452 4.120 -0.552 0.000 0.247 231 V C 2.859 178.904 176.094 -0.082 0.000 1.050 231 V CA 2.222 64.526 62.300 0.007 0.000 1.010 231 V CB -0.878 30.956 31.823 0.019 0.000 0.637 231 V HN 0.804 nan 8.190 nan 0.000 0.444 232 S N 0.927 116.562 115.700 -0.109 0.000 2.440 232 S HA -0.226 3.913 4.470 -0.552 0.000 0.240 232 S C 1.992 176.504 174.600 -0.147 0.000 1.014 232 S CA 1.398 59.511 58.200 -0.146 0.000 0.980 232 S CB -0.684 62.431 63.200 -0.142 0.000 0.775 232 S HN 0.654 nan 8.310 nan 0.000 0.499 233 A N 1.585 124.302 122.820 -0.172 0.000 1.930 233 A HA 0.007 3.995 4.320 -0.552 0.000 0.217 233 A C 2.384 179.920 177.584 -0.080 0.000 1.175 233 A CA 1.763 53.654 52.037 -0.244 0.000 0.627 233 A CB -1.210 17.496 19.000 -0.490 0.000 0.815 233 A HN 0.515 nan 8.150 nan 0.000 0.443 234 T N 0.552 115.102 114.554 -0.007 0.000 2.851 234 T HA -0.082 3.937 4.350 -0.552 0.000 0.262 234 T C 1.956 176.696 174.700 0.068 0.000 1.043 234 T CA 1.583 63.772 62.100 0.147 0.000 1.140 234 T CB -0.345 68.624 68.868 0.168 0.000 0.872 234 T HN 0.721 nan 8.240 nan 0.000 0.446 235 M N 1.590 121.132 119.600 -0.097 0.000 2.549 235 M HA 0.031 4.180 4.480 -0.552 0.000 0.260 235 M C 1.923 178.201 176.300 -0.036 0.000 1.076 235 M CA 1.265 56.416 55.300 -0.247 0.000 1.090 235 M CB -0.534 31.447 32.600 -1.031 0.000 1.418 235 M HN 0.142 nan 8.290 nan 0.000 0.486 236 S N 0.370 116.094 115.700 0.040 0.000 2.421 236 S HA 0.191 4.329 4.470 -0.552 0.000 0.224 236 S C 2.062 176.731 174.600 0.115 0.000 1.035 236 S CA 0.480 58.737 58.200 0.094 0.000 0.953 236 S CB -0.948 62.264 63.200 0.021 0.000 0.810 236 S HN 0.630 nan 8.310 nan 0.000 0.497 237 G N 2.073 110.960 108.800 0.144 0.000 2.408 237 G HA2 -0.043 3.585 3.960 -0.552 0.000 0.217 237 G HA3 -0.043 3.585 3.960 -0.552 0.000 0.217 237 G C 1.291 176.251 174.900 0.101 0.000 1.150 237 G CA 0.944 46.139 45.100 0.158 0.000 0.776 237 G HN 0.405 nan 8.290 nan 0.000 0.542 238 V N 1.036 120.996 119.914 0.077 0.000 2.245 238 V HA -0.143 3.645 4.120 -0.552 0.000 0.233 238 V C 2.768 178.897 176.094 0.058 0.000 1.028 238 V CA 2.238 64.564 62.300 0.043 0.000 0.991 238 V CB -1.280 30.534 31.823 -0.014 0.000 0.640 238 V HN 0.363 nan 8.190 nan 0.000 0.461 239 T N -0.302 114.299 114.554 0.078 0.000 4.341 239 T HA -0.234 3.785 4.350 -0.552 0.000 0.204 239 T C 1.835 176.557 174.700 0.036 0.000 1.078 239 T CA 2.301 64.444 62.100 0.071 0.000 1.921 239 T CB -0.824 68.138 68.868 0.157 0.000 1.129 239 T HN 0.697 nan 8.240 nan 0.000 0.308 240 T N 0.698 115.310 114.554 0.096 0.000 2.759 240 T HA -0.369 3.650 4.350 -0.552 0.000 0.247 240 T C 2.158 176.740 174.700 -0.196 0.000 1.131 240 T CA 2.795 64.914 62.100 0.032 0.000 1.135 240 T CB -1.434 67.581 68.868 0.245 0.000 0.825 240 T HN 0.602 nan 8.240 nan 0.000 0.483 241 C N 0.889 120.152 119.300 -0.061 0.000 2.359 241 C HA -0.091 4.037 4.460 -0.552 0.000 0.279 241 C C 2.723 177.742 174.990 0.048 0.000 1.191 241 C CA 1.682 60.717 59.018 0.029 0.000 1.764 241 C CB -1.698 26.118 27.740 0.127 0.000 2.026 241 C HN 0.766 nan 8.230 nan 0.000 0.442 242 L N 0.510 121.762 121.223 0.049 0.000 2.450 242 L HA -0.092 3.917 4.340 -0.552 0.000 0.225 242 L C 1.752 178.641 176.870 0.030 0.000 1.145 242 L CA 0.991 55.867 54.840 0.060 0.000 0.801 242 L CB -0.471 41.613 42.059 0.041 0.000 0.924 242 L HN 0.437 nan 8.230 nan 0.000 0.447 243 R N -0.572 119.892 120.500 -0.061 0.000 2.547 243 R HA 0.202 4.211 4.340 -0.552 0.000 0.258 243 R C -0.679 175.604 176.300 -0.029 0.000 1.115 243 R CA -0.000 56.046 56.100 -0.088 0.000 1.152 243 R CB -0.607 29.584 30.300 -0.181 0.000 1.221 243 R HN -0.017 nan 8.270 nan 0.000 0.539 244 F N -0.206 119.766 119.950 0.038 0.000 2.618 244 F HA 0.538 4.735 4.527 -0.549 0.000 0.332 244 F C -1.720 174.095 175.800 0.024 0.000 1.061 244 F CA -3.045 54.975 58.000 0.034 0.000 0.974 244 F CB 1.032 40.054 39.000 0.036 0.000 1.310 244 F HN -0.157 nan 8.300 nan 0.000 0.491 245 P HA 0.539 nan 4.420 nan 0.000 0.277 245 P C -0.961 176.392 177.300 0.089 0.000 1.276 245 P CA -0.262 62.900 63.100 0.103 0.000 0.788 245 P CB 0.697 32.423 31.700 0.043 0.000 1.114 246 G N -1.321 107.512 108.800 0.054 0.000 2.404 246 G HA2 0.102 3.730 3.960 -0.552 0.000 0.298 246 G HA3 0.102 3.730 3.960 -0.552 0.000 0.298 246 G C -0.030 174.887 174.900 0.028 0.000 1.577 246 G CA -0.470 44.658 45.100 0.047 0.000 0.847 246 G HN 0.255 nan 8.290 nan 0.000 0.598 247 Q N -0.732 119.077 119.800 0.016 0.000 2.084 247 Q HA -0.074 3.935 4.340 -0.552 0.000 0.202 247 Q C 0.981 176.987 176.000 0.011 0.000 0.978 247 Q CA 1.124 56.930 55.803 0.005 0.000 0.844 247 Q CB 0.134 28.866 28.738 -0.010 0.000 0.898 247 Q HN 0.501 nan 8.270 nan 0.000 0.426 248 L N 2.102 123.338 121.223 0.021 0.000 2.454 248 L HA 0.249 4.257 4.340 -0.552 0.000 0.258 248 L C -1.118 175.779 176.870 0.046 0.000 1.025 248 L CA -0.507 54.350 54.840 0.027 0.000 0.901 248 L CB 0.778 42.852 42.059 0.024 0.000 1.210 248 L HN 0.063 nan 8.230 nan 0.000 0.457 249 N N 3.535 122.262 118.700 0.044 0.000 2.489 249 N HA 0.885 5.294 4.740 -0.552 0.000 0.284 249 N C -0.562 174.973 175.510 0.042 0.000 1.158 249 N CA -0.210 52.873 53.050 0.055 0.000 0.965 249 N CB 1.898 40.422 38.487 0.062 0.000 1.195 249 N HN 0.467 nan 8.380 nan 0.000 0.506 250 A N 0.021 122.867 122.820 0.044 0.000 2.470 250 A HA 0.769 4.758 4.320 -0.552 0.000 0.271 250 A C -1.641 175.957 177.584 0.023 0.000 1.269 250 A CA -0.521 51.533 52.037 0.029 0.000 0.828 250 A CB 1.025 20.042 19.000 0.028 0.000 1.374 250 A HN 0.985 nan 8.150 nan 0.000 0.454 251 D N -1.124 119.284 120.400 0.013 0.000 2.745 251 D HA 0.208 4.517 4.640 -0.552 0.000 0.221 251 D C 0.555 176.860 176.300 0.008 0.000 1.237 251 D CA -0.530 53.473 54.000 0.004 0.000 0.781 251 D CB 0.334 41.128 40.800 -0.011 0.000 1.575 251 D HN 0.433 nan 8.370 nan 0.000 0.482 252 L N 0.590 121.823 121.223 0.017 0.000 2.425 252 L HA -0.419 3.589 4.340 -0.552 0.000 0.231 252 L C 2.654 179.544 176.870 0.034 0.000 1.140 252 L CA 2.494 57.359 54.840 0.041 0.000 0.856 252 L CB -0.916 41.160 42.059 0.028 0.000 0.960 252 L HN 0.568 nan 8.230 nan 0.000 0.446 253 R N -0.431 120.076 120.500 0.011 0.000 2.088 253 R HA -0.153 3.856 4.340 -0.552 0.000 0.232 253 R C 2.270 178.570 176.300 0.001 0.000 1.136 253 R CA 1.612 57.715 56.100 0.005 0.000 0.926 253 R CB -0.334 29.963 30.300 -0.006 0.000 0.837 253 R HN 0.395 nan 8.270 nan 0.000 0.429 254 K N 0.618 121.017 120.400 -0.002 0.000 2.049 254 K HA -0.245 3.744 4.320 -0.552 0.000 0.219 254 K C 2.139 178.731 176.600 -0.013 0.000 1.056 254 K CA 1.652 57.935 56.287 -0.006 0.000 0.946 254 K CB -0.655 31.845 32.500 0.001 0.000 0.723 254 K HN 0.061 nan 8.250 nan 0.000 0.453 255 L N 0.706 121.926 121.223 -0.005 0.000 2.043 255 L HA -0.234 3.775 4.340 -0.552 0.000 0.212 255 L C 2.572 179.421 176.870 -0.034 0.000 1.075 255 L CA 2.124 56.950 54.840 -0.023 0.000 0.752 255 L CB -0.848 41.224 42.059 0.022 0.000 0.891 255 L HN 0.264 nan 8.230 nan 0.000 0.432 256 A N -1.115 121.711 122.820 0.010 0.000 1.855 256 A HA -0.064 3.924 4.320 -0.552 0.000 0.213 256 A C 2.037 179.613 177.584 -0.014 0.000 1.195 256 A CA 1.349 53.400 52.037 0.023 0.000 0.610 256 A CB -0.820 18.201 19.000 0.036 0.000 0.837 256 A HN 0.183 nan 8.150 nan 0.000 0.444 257 V N 1.190 121.091 119.914 -0.021 0.000 3.541 257 V HA -0.071 3.717 4.120 -0.552 0.000 0.272 257 V C 1.208 177.275 176.094 -0.045 0.000 1.215 257 V CA 1.412 63.691 62.300 -0.035 0.000 1.176 257 V CB -1.117 30.690 31.823 -0.027 0.000 0.854 257 V HN 0.546 nan 8.190 nan 0.000 0.496 258 N N -0.929 117.740 118.700 -0.051 0.000 2.168 258 N HA 0.273 4.682 4.740 -0.552 0.000 0.216 258 N C 1.319 176.785 175.510 -0.075 0.000 1.259 258 N CA 0.194 53.210 53.050 -0.056 0.000 0.902 258 N CB 0.839 39.298 38.487 -0.048 0.000 1.079 258 N HN 0.403 nan 8.380 nan 0.000 0.507 259 M N 0.596 120.142 119.600 -0.091 0.000 2.379 259 M HA 0.181 4.330 4.480 -0.552 0.000 0.265 259 M C 0.338 176.634 176.300 -0.007 0.000 1.095 259 M CA 0.380 55.609 55.300 -0.118 0.000 1.075 259 M CB 1.171 33.565 32.600 -0.345 0.000 1.443 259 M HN -0.178 nan 8.290 nan 0.000 0.519 260 V N -1.059 118.842 119.914 -0.022 0.000 2.275 260 V HA 0.368 4.157 4.120 -0.552 0.000 0.272 260 V C -2.270 173.710 176.094 -0.191 0.000 1.028 260 V CA -1.325 60.937 62.300 -0.063 0.000 0.810 260 V CB 0.266 32.043 31.823 -0.076 0.000 1.043 260 V HN 0.021 nan 8.190 nan 0.000 0.453 261 P HA 0.186 nan 4.420 nan 0.000 0.218 261 P C -0.198 176.563 177.300 -0.898 0.000 1.152 261 P CA 0.933 63.723 63.100 -0.516 0.000 0.826 261 P CB 0.098 31.596 31.700 -0.338 0.000 0.790 262 F N -0.669 119.117 119.950 -0.273 0.000 2.539 262 F HA 0.329 4.521 4.527 -0.557 0.000 0.328 262 F C -1.439 174.123 175.800 -0.396 0.000 1.148 262 F CA -2.373 55.478 58.000 -0.248 0.000 0.940 262 F CB 1.459 40.411 39.000 -0.080 0.000 1.194 262 F HN -0.176 nan 8.300 nan 0.000 0.438 263 P HA -0.350 nan 4.420 nan 0.000 0.224 263 P C 1.369 178.611 177.300 -0.096 0.000 1.156 263 P CA 1.328 64.377 63.100 -0.086 0.000 0.839 263 P CB 0.249 31.942 31.700 -0.012 0.000 0.758 264 R N -0.557 119.899 120.500 -0.072 0.000 2.134 264 R HA -0.165 3.843 4.340 -0.552 0.000 0.248 264 R C 2.260 178.526 176.300 -0.057 0.000 1.143 264 R CA 1.894 58.014 56.100 0.035 0.000 0.957 264 R CB -1.498 28.970 30.300 0.280 0.000 0.867 264 R HN 0.493 nan 8.270 nan 0.000 0.441 265 L N -5.258 115.866 121.223 -0.165 0.000 1.655 265 L HA -0.141 3.867 4.340 -0.552 0.000 0.501 265 L C -0.604 176.081 176.870 -0.309 0.000 0.746 265 L CA 1.617 56.288 54.840 -0.281 0.000 2.829 265 L CB -0.854 40.977 42.059 -0.380 0.000 0.948 265 L HN 0.543 nan 8.230 nan 0.000 0.662 266 H N 0.614 119.438 119.070 -0.409 0.000 3.937 266 H HA -0.056 4.160 4.556 -0.567 0.000 0.250 266 H C -1.027 173.876 175.328 -0.708 0.000 0.600 266 H CA 0.975 56.916 56.048 -0.179 0.000 0.716 266 H CB -0.592 29.255 29.762 0.140 0.000 1.183 266 H HN 0.319 nan 8.280 nan 0.000 0.290 267 F N 2.448 122.384 119.950 -0.023 0.000 2.492 267 F HA 0.540 4.694 4.527 -0.620 0.000 0.327 267 F C 0.364 176.017 175.800 -0.244 0.000 1.079 267 F CA -0.705 57.065 58.000 -0.384 0.000 0.967 267 F CB 0.801 39.784 39.000 -0.029 0.000 1.169 267 F HN 0.233 nan 8.300 nan 0.000 0.472 268 F N 0.423 120.366 119.950 -0.013 0.000 2.561 268 F HA 0.764 5.048 4.527 -0.405 0.000 0.384 268 F C -0.126 175.669 175.800 -0.007 0.000 1.131 268 F CA -1.379 56.584 58.000 -0.061 0.000 1.133 268 F CB 1.212 40.116 39.000 -0.160 0.000 1.506 268 F HN 0.092 nan 8.300 nan 0.000 0.499 269 M N 2.472 122.219 119.600 0.246 0.000 2.164 269 M HA 0.268 4.417 4.480 -0.552 0.000 0.260 269 M C -3.072 173.369 176.300 0.236 0.000 0.974 269 M CA -1.674 53.739 55.300 0.188 0.000 1.020 269 M CB 1.949 34.610 32.600 0.103 0.000 1.903 269 M HN 0.052 nan 8.290 nan 0.000 0.469 270 P HA 0.423 nan 4.420 nan 0.000 0.275 270 P C -0.321 177.152 177.300 0.287 0.000 1.228 270 P CA 0.060 63.331 63.100 0.285 0.000 0.786 270 P CB 1.506 33.391 31.700 0.307 0.000 0.927 271 G N 1.709 110.701 108.800 0.320 0.000 2.740 271 G HA2 0.468 4.097 3.960 -0.552 0.000 0.296 271 G HA3 0.468 4.097 3.960 -0.552 0.000 0.296 271 G C -1.844 173.197 174.900 0.234 0.000 1.439 271 G CA -0.353 44.898 45.100 0.251 0.000 1.066 271 G HN 0.359 nan 8.290 nan 0.000 0.527 272 F N 2.127 122.110 119.950 0.055 0.000 2.380 272 F HA 0.676 4.867 4.527 -0.560 0.000 0.321 272 F C 1.142 176.946 175.800 0.007 0.000 1.103 272 F CA 0.212 58.235 58.000 0.038 0.000 1.067 272 F CB 1.966 40.997 39.000 0.050 0.000 1.265 272 F HN 0.607 nan 8.300 nan 0.000 0.517 273 A N 2.422 124.871 122.820 -0.619 0.000 2.109 273 A HA 0.302 4.290 4.320 -0.552 0.000 0.220 273 A C -2.080 175.448 177.584 -0.094 0.000 1.613 273 A CA 0.005 51.841 52.037 -0.336 0.000 0.620 273 A CB -1.669 17.097 19.000 -0.390 0.000 1.212 273 A HN 0.564 nan 8.150 nan 0.000 0.508 274 P HA 0.243 nan 4.420 nan 0.000 0.263 274 P C -1.086 176.368 177.300 0.255 0.000 1.247 274 P CA 0.376 63.543 63.100 0.111 0.000 0.876 274 P CB 0.246 32.021 31.700 0.125 0.000 0.928 275 L N 4.532 125.863 121.223 0.179 0.000 2.679 275 L HA 0.288 4.297 4.340 -0.552 0.000 0.238 275 L C 0.233 177.159 176.870 0.093 0.000 1.330 275 L CA -0.083 54.859 54.840 0.169 0.000 0.935 275 L CB -0.127 42.029 42.059 0.162 0.000 1.243 275 L HN 0.233 nan 8.230 nan 0.000 0.484 276 T N -2.041 112.568 114.554 0.092 0.000 2.888 276 T HA 0.632 4.651 4.350 -0.552 0.000 0.284 276 T C 0.440 175.172 174.700 0.053 0.000 1.017 276 T CA -0.565 61.575 62.100 0.067 0.000 1.022 276 T CB 1.495 70.413 68.868 0.085 0.000 1.013 276 T HN 0.428 nan 8.240 nan 0.000 0.465 277 S N 2.714 118.436 115.700 0.037 0.000 2.566 277 S HA 0.163 4.302 4.470 -0.552 0.000 0.280 277 S C 1.234 175.856 174.600 0.036 0.000 1.343 277 S CA -0.878 57.338 58.200 0.027 0.000 1.036 277 S CB 0.618 63.829 63.200 0.018 0.000 0.866 277 S HN 0.921 nan 8.310 nan 0.000 0.526 278 R N 1.847 122.362 120.500 0.026 0.000 2.309 278 R HA -0.125 3.884 4.340 -0.552 0.000 0.159 278 R C 2.159 178.479 176.300 0.033 0.000 0.734 278 R CA 1.782 57.898 56.100 0.028 0.000 1.244 278 R CB -1.518 28.793 30.300 0.019 0.000 0.574 278 R HN 0.882 nan 8.270 nan 0.000 0.582 279 G N 0.329 109.145 108.800 0.027 0.000 2.988 279 G HA2 -0.420 3.209 3.960 -0.552 0.000 0.204 279 G HA3 -0.420 3.209 3.960 -0.552 0.000 0.204 279 G C 1.399 176.318 174.900 0.033 0.000 1.378 279 G CA 2.525 47.640 45.100 0.025 0.000 0.781 279 G HN 0.745 nan 8.290 nan 0.000 0.738 280 S N 0.001 115.723 115.700 0.037 0.000 2.489 280 S HA -0.431 3.708 4.470 -0.552 0.000 0.261 280 S C 2.114 176.771 174.600 0.095 0.000 1.059 280 S CA 2.879 61.112 58.200 0.056 0.000 1.372 280 S CB -1.189 62.045 63.200 0.058 0.000 1.253 280 S HN 0.582 nan 8.310 nan 0.000 0.432 281 Q N 1.891 121.759 119.800 0.113 0.000 2.336 281 Q HA -0.272 3.737 4.340 -0.552 0.000 0.218 281 Q C 1.597 177.717 176.000 0.201 0.000 1.011 281 Q CA 2.131 58.031 55.803 0.161 0.000 0.949 281 Q CB -1.074 27.718 28.738 0.090 0.000 0.965 281 Q HN 0.858 nan 8.270 nan 0.000 0.419 282 Q N -0.378 119.489 119.800 0.112 0.000 1.961 282 Q HA -0.212 3.797 4.340 -0.552 0.000 0.109 282 Q C -0.220 175.808 176.000 0.046 0.000 0.857 282 Q CA 0.314 56.162 55.803 0.076 0.000 1.015 282 Q CB -0.760 27.999 28.738 0.035 0.000 1.528 282 Q HN 0.604 nan 8.270 nan 0.000 0.347 283 Y N 1.978 122.289 120.300 0.018 0.000 2.475 283 Y HA -0.060 4.158 4.550 -0.553 0.000 0.289 283 Y C 1.055 176.965 175.900 0.016 0.000 1.121 283 Y CA 1.429 59.538 58.100 0.015 0.000 1.257 283 Y CB 0.527 38.995 38.460 0.013 0.000 1.026 283 Y HN 0.548 nan 8.280 nan 0.000 0.555 284 R N -1.824 118.751 120.500 0.126 0.000 3.977 284 R HA -0.219 3.789 4.340 -0.552 0.000 0.428 284 R C 0.487 176.858 176.300 0.119 0.000 1.079 284 R CA 0.785 56.934 56.100 0.082 0.000 1.269 284 R CB -2.811 27.498 30.300 0.016 0.000 1.856 284 R HN 0.273 nan 8.270 nan 0.000 0.551 285 A N 1.839 124.785 122.820 0.210 0.000 2.898 285 A HA 0.365 4.353 4.320 -0.552 0.000 0.288 285 A C 1.209 178.855 177.584 0.105 0.000 1.771 285 A CA 0.294 52.434 52.037 0.171 0.000 1.383 285 A CB -0.477 18.630 19.000 0.179 0.000 1.028 285 A HN 0.322 nan 8.150 nan 0.000 0.595 286 L N 1.799 123.071 121.223 0.082 0.000 3.439 286 L HA 0.073 4.081 4.340 -0.552 0.000 0.313 286 L C 1.521 178.425 176.870 0.057 0.000 1.292 286 L CA -0.089 54.792 54.840 0.068 0.000 1.020 286 L CB 0.050 42.148 42.059 0.066 0.000 1.424 286 L HN 0.559 nan 8.230 nan 0.000 0.612 287 T N -0.095 114.489 114.554 0.050 0.000 2.699 287 T HA -0.146 3.872 4.350 -0.552 0.000 0.268 287 T C 1.541 176.259 174.700 0.030 0.000 1.036 287 T CA 2.044 64.164 62.100 0.033 0.000 1.147 287 T CB 0.294 69.178 68.868 0.027 0.000 0.862 287 T HN 0.263 nan 8.240 nan 0.000 0.446 288 V N -1.418 118.525 119.914 0.048 0.000 4.880 288 V HA -0.070 3.719 4.120 -0.552 0.000 0.164 288 V C -1.974 174.172 176.094 0.087 0.000 1.475 288 V CA 0.212 62.554 62.300 0.070 0.000 1.031 288 V CB -1.065 30.764 31.823 0.011 0.000 0.797 288 V HN 0.116 nan 8.190 nan 0.000 0.659 289 P HA -0.110 nan 4.420 nan 0.000 0.223 289 P C 1.010 178.343 177.300 0.054 0.000 1.144 289 P CA 1.650 64.779 63.100 0.049 0.000 0.783 289 P CB 0.116 31.830 31.700 0.024 0.000 0.771 290 E N -0.928 119.306 120.200 0.056 0.000 2.158 290 E HA -0.052 3.967 4.350 -0.552 0.000 0.191 290 E C 1.800 178.432 176.600 0.053 0.000 0.982 290 E CA 0.646 57.074 56.400 0.047 0.000 0.823 290 E CB -0.829 28.901 29.700 0.049 0.000 0.766 290 E HN 0.150 nan 8.360 nan 0.000 0.468 291 L N 0.478 121.750 121.223 0.083 0.000 2.072 291 L HA -0.096 3.913 4.340 -0.552 0.000 0.205 291 L C 2.512 179.429 176.870 0.079 0.000 1.079 291 L CA 1.948 56.832 54.840 0.074 0.000 0.752 291 L CB -1.066 41.074 42.059 0.135 0.000 0.906 291 L HN 0.289 nan 8.230 nan 0.000 0.436 292 T N -3.289 111.357 114.554 0.154 0.000 2.867 292 T HA -0.234 3.785 4.350 -0.552 0.000 0.268 292 T C 1.814 176.598 174.700 0.141 0.000 1.057 292 T CA 1.174 63.397 62.100 0.205 0.000 1.136 292 T CB -0.264 68.729 68.868 0.208 0.000 0.874 292 T HN 0.243 nan 8.240 nan 0.000 0.466 293 Q N 1.595 121.441 119.800 0.076 0.000 2.002 293 Q HA -0.162 3.847 4.340 -0.552 0.000 0.204 293 Q C 2.312 178.328 176.000 0.027 0.000 0.988 293 Q CA 2.296 58.124 55.803 0.043 0.000 0.843 293 Q CB -0.792 27.958 28.738 0.020 0.000 0.908 293 Q HN 0.712 nan 8.270 nan 0.000 0.420 294 Q N -0.254 119.549 119.800 0.006 0.000 1.565 294 Q HA -0.212 3.796 4.340 -0.552 0.000 0.499 294 Q C 1.942 177.884 176.000 -0.097 0.000 0.982 294 Q CA 2.721 58.505 55.803 -0.031 0.000 0.894 294 Q CB -0.407 28.315 28.738 -0.027 0.000 0.939 294 Q HN 0.553 nan 8.270 nan 0.000 0.381 295 M N -0.999 118.496 119.600 -0.175 0.000 2.252 295 M HA -0.300 3.849 4.480 -0.552 0.000 0.246 295 M C 1.793 177.629 176.300 -0.772 0.000 1.064 295 M CA 1.850 56.874 55.300 -0.459 0.000 1.053 295 M CB -0.876 31.431 32.600 -0.488 0.000 1.341 295 M HN 0.287 nan 8.290 nan 0.000 0.404 296 F N 0.225 119.898 119.950 -0.462 0.000 2.773 296 F HA 0.086 4.288 4.527 -0.541 0.000 0.304 296 F C 1.090 176.758 175.800 -0.221 0.000 1.129 296 F CA -0.203 57.547 58.000 -0.418 0.000 1.378 296 F CB -0.204 38.636 39.000 -0.267 0.000 1.095 296 F HN 0.102 nan 8.300 nan 0.000 0.565 297 D N -0.294 120.073 120.400 -0.056 0.000 2.387 297 D HA 0.350 4.659 4.640 -0.552 0.000 0.251 297 D C 1.166 177.440 176.300 -0.043 0.000 1.141 297 D CA 0.393 54.383 54.000 -0.016 0.000 0.987 297 D CB 1.506 42.294 40.800 -0.021 0.000 1.116 297 D HN 0.082 nan 8.370 nan 0.000 0.491 298 A N 1.953 124.759 122.820 -0.024 0.000 1.836 298 A HA -0.070 3.918 4.320 -0.552 0.000 0.212 298 A C 0.529 178.093 177.584 -0.034 0.000 1.243 298 A CA 1.037 53.053 52.037 -0.036 0.000 0.620 298 A CB -0.822 18.156 19.000 -0.037 0.000 0.889 298 A HN 0.656 nan 8.150 nan 0.000 0.463 299 K N 0.635 121.020 120.400 -0.025 0.000 2.591 299 K HA -0.114 3.875 4.320 -0.552 0.000 0.280 299 K C 0.059 176.647 176.600 -0.021 0.000 0.964 299 K CA 0.991 57.268 56.287 -0.016 0.000 1.014 299 K CB -0.139 32.350 32.500 -0.017 0.000 0.877 299 K HN 0.805 nan 8.250 nan 0.000 0.502 300 N N -0.437 118.261 118.700 -0.003 0.000 2.984 300 N HA -0.115 4.294 4.740 -0.552 0.000 0.199 300 N C -1.040 174.480 175.510 0.016 0.000 0.934 300 N CA 0.178 53.231 53.050 0.004 0.000 1.043 300 N CB -0.290 38.180 38.487 -0.028 0.000 1.015 300 N HN 0.473 nan 8.380 nan 0.000 0.557 301 M N 1.938 121.549 119.600 0.018 0.000 2.055 301 M HA 0.275 4.424 4.480 -0.552 0.000 0.347 301 M C 1.445 177.785 176.300 0.065 0.000 1.123 301 M CA -0.050 55.285 55.300 0.057 0.000 1.035 301 M CB 0.478 33.102 32.600 0.041 0.000 1.484 301 M HN 0.150 nan 8.290 nan 0.000 0.428 302 M N 1.136 120.795 119.600 0.099 0.000 2.413 302 M HA -0.166 3.983 4.480 -0.552 0.000 0.258 302 M C 1.165 177.499 176.300 0.056 0.000 1.081 302 M CA 0.926 56.278 55.300 0.087 0.000 1.047 302 M CB -0.433 32.243 32.600 0.126 0.000 1.390 302 M HN 0.714 nan 8.290 nan 0.000 0.438 303 A N -0.111 122.736 122.820 0.045 0.000 2.310 303 A HA 0.509 4.498 4.320 -0.552 0.000 0.260 303 A C 1.312 178.880 177.584 -0.026 0.000 1.112 303 A CA 0.320 52.354 52.037 -0.004 0.000 0.804 303 A CB 0.202 19.182 19.000 -0.033 0.000 1.081 303 A HN 0.373 nan 8.150 nan 0.000 0.499 304 A N -0.523 122.261 122.820 -0.060 0.000 1.887 304 A HA 0.179 4.168 4.320 -0.552 0.000 0.212 304 A C 1.516 179.067 177.584 -0.056 0.000 1.198 304 A CA 1.153 53.159 52.037 -0.052 0.000 0.628 304 A CB -1.437 17.525 19.000 -0.064 0.000 0.847 304 A HN 1.600 nan 8.150 nan 0.000 0.449 305 C N 1.097 120.340 119.300 -0.096 0.000 2.745 305 C HA 0.470 4.599 4.460 -0.552 0.000 0.387 305 C C -0.361 174.586 174.990 -0.071 0.000 1.312 305 C CA -0.713 58.250 59.018 -0.092 0.000 2.204 305 C CB -0.570 27.070 27.740 -0.166 0.000 2.686 305 C HN 0.637 nan 8.230 nan 0.000 0.705 306 D N 1.062 121.436 120.400 -0.043 0.000 2.303 306 D HA 0.437 4.746 4.640 -0.552 0.000 0.236 306 D C -2.251 173.981 176.300 -0.112 0.000 1.068 306 D CA -1.709 52.254 54.000 -0.062 0.000 0.830 306 D CB 1.023 41.792 40.800 -0.053 0.000 1.109 306 D HN 0.235 nan 8.370 nan 0.000 0.496 307 P HA -0.268 nan 4.420 nan 0.000 0.218 307 P C 1.292 178.362 177.300 -0.383 0.000 1.154 307 P CA 1.063 64.005 63.100 -0.263 0.000 0.872 307 P CB 0.168 31.840 31.700 -0.047 0.000 0.790 308 R N -1.403 118.848 120.500 -0.416 0.000 2.371 308 R HA -0.176 3.832 4.340 -0.552 0.000 0.226 308 R C 1.332 177.438 176.300 -0.324 0.000 1.132 308 R CA 1.094 56.821 56.100 -0.622 0.000 1.027 308 R CB -0.637 29.504 30.300 -0.265 0.000 0.848 308 R HN 0.404 nan 8.270 nan 0.000 0.479 309 H N -1.551 117.368 119.070 -0.253 0.000 2.505 309 H HA 0.257 4.481 4.556 -0.554 0.000 0.289 309 H C -0.355 174.895 175.328 -0.130 0.000 1.052 309 H CA -0.176 55.788 56.048 -0.140 0.000 1.156 309 H CB 0.818 30.509 29.762 -0.119 0.000 1.507 309 H HN 0.282 nan 8.280 nan 0.000 0.548 310 G N 0.559 109.328 108.800 -0.051 0.000 2.318 310 G HA2 0.048 3.676 3.960 -0.552 0.000 0.306 310 G HA3 0.048 3.676 3.960 -0.552 0.000 0.306 310 G C -0.933 173.934 174.900 -0.056 0.000 1.696 310 G CA -1.115 43.962 45.100 -0.038 0.000 0.905 310 G HN 0.029 nan 8.290 nan 0.000 0.700 311 R N -0.116 120.453 120.500 0.115 0.000 2.973 311 R HA 0.089 4.098 4.340 -0.552 0.000 0.277 311 R C -0.654 175.721 176.300 0.125 0.000 1.000 311 R CA 0.453 56.694 56.100 0.234 0.000 1.175 311 R CB 0.090 30.561 30.300 0.285 0.000 1.113 311 R HN 0.534 nan 8.270 nan 0.000 0.495 312 Y N -0.895 119.466 120.300 0.101 0.000 2.549 312 Y HA 0.256 4.474 4.550 -0.553 0.000 0.339 312 Y C 1.380 177.362 175.900 0.136 0.000 1.053 312 Y CA -0.623 57.529 58.100 0.086 0.000 1.105 312 Y CB 1.319 39.785 38.460 0.011 0.000 1.258 312 Y HN 0.262 nan 8.280 nan 0.000 0.478 313 L N -0.434 120.955 121.223 0.275 0.000 2.445 313 L HA 0.308 4.316 4.340 -0.552 0.000 0.207 313 L C 0.127 177.061 176.870 0.106 0.000 1.053 313 L CA 0.676 55.589 54.840 0.121 0.000 0.841 313 L CB 0.442 42.623 42.059 0.202 0.000 1.074 313 L HN 0.545 nan 8.230 nan 0.000 0.479 314 T N -0.326 114.335 114.554 0.177 0.000 2.868 314 T HA 0.638 4.657 4.350 -0.552 0.000 0.306 314 T C -1.177 173.595 174.700 0.121 0.000 1.224 314 T CA -0.286 61.879 62.100 0.109 0.000 1.012 314 T CB 3.148 72.014 68.868 -0.004 0.000 1.221 314 T HN -0.258 nan 8.240 nan 0.000 0.499 315 V N 0.942 120.901 119.914 0.074 0.000 3.012 315 V HA 0.865 4.654 4.120 -0.552 0.000 0.307 315 V C -1.107 174.947 176.094 -0.067 0.000 1.166 315 V CA -0.924 61.361 62.300 -0.025 0.000 0.974 315 V CB 2.065 34.052 31.823 0.274 0.000 1.040 315 V HN 1.111 nan 8.190 nan 0.000 0.428 316 A N 2.773 125.460 122.820 -0.221 0.000 2.605 316 A HA 0.824 4.813 4.320 -0.552 0.000 0.293 316 A C -0.088 177.438 177.584 -0.096 0.000 1.216 316 A CA 0.007 51.973 52.037 -0.118 0.000 0.742 316 A CB 0.964 19.864 19.000 -0.166 0.000 1.170 316 A HN 1.478 nan 8.150 nan 0.000 0.443 317 A N 2.245 125.081 122.820 0.027 0.000 2.539 317 A HA 0.519 4.508 4.320 -0.552 0.000 0.306 317 A C 0.028 177.540 177.584 -0.120 0.000 1.392 317 A CA -0.154 51.813 52.037 -0.116 0.000 1.060 317 A CB -0.354 18.575 19.000 -0.118 0.000 1.134 317 A HN 1.068 nan 8.150 nan 0.000 0.542 318 V N 4.859 124.697 119.914 -0.127 0.000 2.267 318 V HA 0.157 3.945 4.120 -0.552 0.000 0.254 318 V C -0.286 175.800 176.094 -0.013 0.000 1.144 318 V CA -0.110 62.191 62.300 0.003 0.000 0.992 318 V CB -1.462 30.370 31.823 0.015 0.000 1.199 318 V HN 0.633 nan 8.190 nan 0.000 0.493 319 F N 3.584 123.556 119.950 0.036 0.000 2.406 319 F HA 0.539 4.739 4.527 -0.545 0.000 0.327 319 F C 1.138 176.954 175.800 0.027 0.000 1.153 319 F CA -0.596 57.413 58.000 0.016 0.000 1.218 319 F CB 0.657 39.668 39.000 0.018 0.000 1.215 319 F HN 0.449 nan 8.300 nan 0.000 0.570 320 R N 0.831 121.464 120.500 0.222 0.000 2.984 320 R HA 0.631 4.640 4.340 -0.552 0.000 0.252 320 R C -1.115 175.250 176.300 0.107 0.000 1.842 320 R CA -0.731 55.461 56.100 0.152 0.000 1.389 320 R CB 0.837 31.231 30.300 0.155 0.000 1.454 320 R HN 0.895 nan 8.270 nan 0.000 0.578 321 G N 2.070 110.920 108.800 0.084 0.000 2.387 321 G HA2 0.118 3.746 3.960 -0.552 0.000 0.309 321 G HA3 0.118 3.746 3.960 -0.552 0.000 0.309 321 G C -1.004 173.908 174.900 0.020 0.000 1.641 321 G CA -1.045 44.083 45.100 0.046 0.000 0.904 321 G HN 0.235 nan 8.290 nan 0.000 0.661 322 R N 1.773 122.272 120.500 -0.001 0.000 2.526 322 R HA 0.111 4.119 4.340 -0.552 0.000 0.319 322 R C 0.611 176.893 176.300 -0.030 0.000 0.888 322 R CA 0.894 56.983 56.100 -0.018 0.000 1.127 322 R CB -0.274 30.014 30.300 -0.019 0.000 0.888 322 R HN 0.777 nan 8.270 nan 0.000 0.410 323 M N -0.475 119.092 119.600 -0.055 0.000 2.721 323 M HA 0.260 4.408 4.480 -0.552 0.000 0.271 323 M C -0.606 175.638 176.300 -0.095 0.000 1.259 323 M CA -0.863 54.386 55.300 -0.084 0.000 0.835 323 M CB 1.937 34.453 32.600 -0.140 0.000 1.689 323 M HN 0.253 nan 8.290 nan 0.000 0.470 324 S N 0.976 116.618 115.700 -0.096 0.000 2.455 324 S HA 0.277 4.416 4.470 -0.552 0.000 0.278 324 S C 0.651 175.185 174.600 -0.109 0.000 1.216 324 S CA -0.432 57.717 58.200 -0.085 0.000 1.055 324 S CB 0.369 63.529 63.200 -0.066 0.000 0.939 324 S HN 0.702 nan 8.310 nan 0.000 0.494 325 M N 4.213 123.759 119.600 -0.091 0.000 2.706 325 M HA 0.004 4.153 4.480 -0.552 0.000 0.253 325 M C 1.657 177.909 176.300 -0.080 0.000 1.063 325 M CA 1.133 56.379 55.300 -0.090 0.000 1.067 325 M CB -0.714 31.851 32.600 -0.059 0.000 1.423 325 M HN 0.805 nan 8.290 nan 0.000 0.530 326 K N 0.678 121.034 120.400 -0.074 0.000 2.172 326 K HA -0.019 3.970 4.320 -0.552 0.000 0.203 326 K C 1.527 178.085 176.600 -0.070 0.000 1.040 326 K CA 1.379 57.629 56.287 -0.061 0.000 0.974 326 K CB -0.335 32.137 32.500 -0.047 0.000 0.857 326 K HN 0.442 nan 8.250 nan 0.000 0.464 327 E N 0.571 120.724 120.200 -0.078 0.000 2.478 327 E HA -0.059 3.960 4.350 -0.552 0.000 0.198 327 E C 1.138 177.672 176.600 -0.109 0.000 1.046 327 E CA 0.826 57.180 56.400 -0.077 0.000 0.870 327 E CB 0.108 29.768 29.700 -0.066 0.000 0.818 327 E HN 0.130 nan 8.360 nan 0.000 0.527 328 V N 1.365 121.182 119.914 -0.161 0.000 2.484 328 V HA -0.143 3.645 4.120 -0.552 0.000 0.236 328 V C 1.960 177.985 176.094 -0.114 0.000 1.062 328 V CA 1.314 63.465 62.300 -0.248 0.000 1.081 328 V CB -0.393 31.179 31.823 -0.418 0.000 0.751 328 V HN 0.178 nan 8.190 nan 0.000 0.484 329 D N 0.054 120.400 120.400 -0.091 0.000 2.190 329 D HA -0.228 4.081 4.640 -0.552 0.000 0.200 329 D C 2.053 178.330 176.300 -0.039 0.000 0.992 329 D CA 1.843 55.816 54.000 -0.045 0.000 0.854 329 D CB 0.175 40.949 40.800 -0.044 0.000 0.936 329 D HN 0.657 nan 8.370 nan 0.000 0.462 330 E N 0.446 120.618 120.200 -0.047 0.000 2.008 330 E HA -0.222 3.797 4.350 -0.552 0.000 0.191 330 E C 2.021 178.598 176.600 -0.038 0.000 0.986 330 E CA 0.855 57.230 56.400 -0.043 0.000 0.807 330 E CB 0.009 29.683 29.700 -0.042 0.000 0.766 330 E HN -0.093 nan 8.360 nan 0.000 0.450 331 Q N 0.080 119.862 119.800 -0.029 0.000 2.065 331 Q HA -0.246 3.763 4.340 -0.552 0.000 0.213 331 Q C 2.149 178.132 176.000 -0.028 0.000 1.012 331 Q CA 2.683 58.476 55.803 -0.017 0.000 0.876 331 Q CB -0.348 28.400 28.738 0.018 0.000 0.954 331 Q HN 0.398 nan 8.270 nan 0.000 0.413 332 M N -0.572 119.031 119.600 0.006 0.000 2.153 332 M HA -0.225 3.923 4.480 -0.552 0.000 0.253 332 M C 2.017 178.262 176.300 -0.091 0.000 1.081 332 M CA 1.352 56.650 55.300 -0.005 0.000 1.076 332 M CB -1.493 31.142 32.600 0.059 0.000 1.350 332 M HN 0.357 nan 8.290 nan 0.000 0.401 333 L N 0.796 121.970 121.223 -0.083 0.000 1.973 333 L HA -0.145 3.863 4.340 -0.552 0.000 0.208 333 L C 1.890 178.690 176.870 -0.117 0.000 1.073 333 L CA 2.027 56.801 54.840 -0.110 0.000 0.746 333 L CB -1.162 40.848 42.059 -0.082 0.000 0.891 333 L HN 0.395 nan 8.230 nan 0.000 0.433 334 N N -0.834 117.812 118.700 -0.089 0.000 2.060 334 N HA -0.250 4.159 4.740 -0.552 0.000 0.195 334 N C 1.744 177.194 175.510 -0.100 0.000 1.028 334 N CA 1.708 54.709 53.050 -0.081 0.000 0.861 334 N CB -0.374 38.075 38.487 -0.063 0.000 1.029 334 N HN 0.284 nan 8.380 nan 0.000 0.428 335 V N 1.366 121.201 119.914 -0.132 0.000 2.324 335 V HA -0.269 3.520 4.120 -0.552 0.000 0.250 335 V C 2.176 178.210 176.094 -0.100 0.000 1.060 335 V CA 1.711 63.899 62.300 -0.187 0.000 1.042 335 V CB -0.565 31.026 31.823 -0.386 0.000 0.650 335 V HN 0.387 nan 8.190 nan 0.000 0.450 336 Q N -0.519 119.179 119.800 -0.169 0.000 2.436 336 Q HA -0.089 3.920 4.340 -0.552 0.000 0.209 336 Q C 1.787 177.682 176.000 -0.175 0.000 0.965 336 Q CA 0.803 56.413 55.803 -0.322 0.000 0.910 336 Q CB -0.040 28.382 28.738 -0.527 0.000 0.980 336 Q HN 0.709 nan 8.270 nan 0.000 0.491 337 N N -0.209 118.424 118.700 -0.111 0.000 2.463 337 N HA 0.017 4.425 4.740 -0.552 0.000 0.183 337 N C 1.119 176.593 175.510 -0.060 0.000 1.064 337 N CA 0.325 53.327 53.050 -0.080 0.000 0.879 337 N CB 0.278 38.718 38.487 -0.078 0.000 1.148 337 N HN 0.096 nan 8.380 nan 0.000 0.451 338 K N 0.968 121.331 120.400 -0.061 0.000 2.211 338 K HA 0.084 4.073 4.320 -0.552 0.000 0.203 338 K C 0.259 176.804 176.600 -0.091 0.000 1.050 338 K CA 0.780 57.028 56.287 -0.066 0.000 0.945 338 K CB 0.137 32.600 32.500 -0.062 0.000 0.732 338 K HN 0.169 nan 8.250 nan 0.000 0.451 339 N N 0.144 118.805 118.700 -0.065 0.000 2.416 339 N HA 0.002 4.411 4.740 -0.552 0.000 0.267 339 N C 0.745 176.243 175.510 -0.020 0.000 1.294 339 N CA 0.126 53.086 53.050 -0.150 0.000 0.891 339 N CB 1.175 39.607 38.487 -0.092 0.000 1.238 339 N HN 0.061 nan 8.380 nan 0.000 0.508 340 S N -0.151 115.547 115.700 -0.003 0.000 2.392 340 S HA -0.244 3.895 4.470 -0.552 0.000 0.232 340 S C 2.123 176.759 174.600 0.060 0.000 1.041 340 S CA 1.654 59.878 58.200 0.039 0.000 1.026 340 S CB -0.271 62.924 63.200 -0.008 0.000 0.845 340 S HN 0.281 nan 8.310 nan 0.000 0.465 341 S N 1.797 117.467 115.700 -0.049 0.000 2.404 341 S HA -0.176 3.963 4.470 -0.552 0.000 0.230 341 S C 0.549 175.215 174.600 0.109 0.000 1.046 341 S CA 1.504 59.680 58.200 -0.040 0.000 1.135 341 S CB -0.808 62.269 63.200 -0.205 0.000 1.056 341 S HN 0.861 nan 8.310 nan 0.000 0.426 342 Y N -0.966 119.432 120.300 0.163 0.000 2.593 342 Y HA 0.696 4.917 4.550 -0.548 0.000 0.331 342 Y C -0.202 175.845 175.900 0.246 0.000 0.986 342 Y CA -1.705 56.510 58.100 0.192 0.000 1.262 342 Y CB -0.343 38.214 38.460 0.161 0.000 1.098 342 Y HN 0.266 nan 8.280 nan 0.000 0.506 343 F N 1.614 121.759 119.950 0.325 0.000 3.330 343 F HA 0.151 4.347 4.527 -0.552 0.000 0.337 343 F C -0.079 175.780 175.800 0.099 0.000 1.265 343 F CA -0.581 57.556 58.000 0.227 0.000 0.797 343 F CB 0.334 39.389 39.000 0.092 0.000 1.780 343 F HN 0.424 nan 8.300 nan 0.000 0.472 344 V N 1.612 121.707 119.914 0.302 0.000 3.745 344 V HA -0.348 3.441 4.120 -0.552 0.000 0.533 344 V C 0.602 176.674 176.094 -0.037 0.000 0.682 344 V CA 1.825 64.184 62.300 0.097 0.000 2.094 344 V CB 0.399 32.167 31.823 -0.091 0.000 2.496 344 V HN 0.596 nan 8.190 nan 0.000 0.518 345 E N 4.094 124.276 120.200 -0.030 0.000 2.244 345 E HA 0.022 4.041 4.350 -0.552 0.000 0.196 345 E C 1.263 177.860 176.600 -0.005 0.000 0.939 345 E CA 0.912 57.317 56.400 0.008 0.000 0.884 345 E CB 0.043 29.821 29.700 0.129 0.000 0.850 345 E HN 0.952 nan 8.360 nan 0.000 0.481 346 W N 1.771 123.151 121.300 0.134 0.000 3.032 346 W HA 0.079 4.405 4.660 -0.556 0.000 0.254 346 W C -0.190 176.387 176.519 0.097 0.000 1.307 346 W CA 0.465 57.883 57.345 0.121 0.000 1.381 346 W CB -0.931 28.626 29.460 0.162 0.000 1.117 346 W HN -0.103 nan 8.180 nan 0.000 0.700 347 I N 3.226 123.688 120.570 -0.179 0.000 2.542 347 I HA 0.114 3.953 4.170 -0.552 0.000 0.278 347 I C -1.131 174.910 176.117 -0.125 0.000 1.069 347 I CA -1.964 59.236 61.300 -0.166 0.000 1.100 347 I CB 1.900 39.703 38.000 -0.328 0.000 1.204 347 I HN -0.455 nan 8.210 nan 0.000 0.470 348 P HA -0.191 nan 4.420 nan 0.000 0.216 348 P C 0.304 177.530 177.300 -0.124 0.000 1.153 348 P CA 1.554 64.612 63.100 -0.071 0.000 0.858 348 P CB 0.253 31.933 31.700 -0.032 0.000 0.789 349 N N -0.688 117.942 118.700 -0.118 0.000 2.804 349 N HA 0.116 4.525 4.740 -0.552 0.000 0.251 349 N C 0.930 176.364 175.510 -0.127 0.000 1.250 349 N CA -0.421 52.545 53.050 -0.140 0.000 0.820 349 N CB 0.329 38.762 38.487 -0.090 0.000 1.156 349 N HN -0.170 nan 8.380 nan 0.000 0.512 350 N N 0.438 119.031 118.700 -0.179 0.000 2.061 350 N HA -0.115 4.293 4.740 -0.552 0.000 0.193 350 N C 0.417 175.944 175.510 0.029 0.000 1.030 350 N CA 1.046 54.062 53.050 -0.058 0.000 0.856 350 N CB -0.117 38.410 38.487 0.067 0.000 1.023 350 N HN 0.211 nan 8.380 nan 0.000 0.424 351 V N 1.987 121.914 119.914 0.022 0.000 2.673 351 V HA -0.000 3.788 4.120 -0.552 0.000 0.303 351 V C 0.856 176.987 176.094 0.063 0.000 1.046 351 V CA 0.149 62.519 62.300 0.116 0.000 1.126 351 V CB 0.791 32.699 31.823 0.141 0.000 0.934 351 V HN 0.148 nan 8.190 nan 0.000 0.487 352 K N 3.246 123.693 120.400 0.077 0.000 2.473 352 K HA 0.306 4.295 4.320 -0.552 0.000 0.246 352 K C -0.329 176.329 176.600 0.095 0.000 1.011 352 K CA -0.228 56.088 56.287 0.049 0.000 0.984 352 K CB 1.116 33.619 32.500 0.004 0.000 1.250 352 K HN 0.805 nan 8.250 nan 0.000 0.454 353 T N 2.024 116.649 114.554 0.119 0.000 2.851 353 T HA 0.445 4.464 4.350 -0.552 0.000 0.298 353 T C -0.415 174.378 174.700 0.155 0.000 0.977 353 T CA -0.029 62.185 62.100 0.190 0.000 1.126 353 T CB 0.723 69.682 68.868 0.152 0.000 0.916 353 T HN 0.556 nan 8.240 nan 0.000 0.529 354 A N 3.073 126.027 122.820 0.224 0.000 2.401 354 A HA 0.788 4.777 4.320 -0.552 0.000 0.310 354 A C -1.076 176.650 177.584 0.237 0.000 1.075 354 A CA -0.623 51.516 52.037 0.170 0.000 0.746 354 A CB 1.649 20.726 19.000 0.128 0.000 1.277 354 A HN 0.641 nan 8.150 nan 0.000 0.425 355 V N 1.843 121.846 119.914 0.148 0.000 2.555 355 V HA 0.247 4.036 4.120 -0.552 0.000 0.283 355 V C 0.190 176.346 176.094 0.102 0.000 1.020 355 V CA -0.722 61.657 62.300 0.132 0.000 0.883 355 V CB 0.726 32.569 31.823 0.032 0.000 1.030 355 V HN 1.273 nan 8.190 nan 0.000 0.448 356 C N 3.623 123.002 119.300 0.131 0.000 2.757 356 C HA 0.420 4.548 4.460 -0.552 0.000 0.303 356 C C 1.298 176.332 174.990 0.073 0.000 1.745 356 C CA 0.376 59.468 59.018 0.122 0.000 2.052 356 C CB 1.218 29.063 27.740 0.174 0.000 1.970 356 C HN 0.963 nan 8.230 nan 0.000 0.586 357 D N -0.636 119.789 120.400 0.042 0.000 3.203 357 D HA 0.187 4.495 4.640 -0.552 0.000 0.249 357 D C 0.150 176.427 176.300 -0.038 0.000 1.522 357 D CA 0.135 54.129 54.000 -0.009 0.000 1.248 357 D CB -0.354 40.424 40.800 -0.038 0.000 1.126 357 D HN 0.665 nan 8.370 nan 0.000 0.326 358 I N 4.035 124.527 120.570 -0.130 0.000 2.752 358 I HA 0.058 3.897 4.170 -0.552 0.000 0.289 358 I C -2.339 173.746 176.117 -0.054 0.000 1.197 358 I CA -0.960 60.237 61.300 -0.172 0.000 1.432 358 I CB 1.119 38.857 38.000 -0.436 0.000 1.359 358 I HN -0.043 nan 8.210 nan 0.000 0.571 359 P HA 0.487 nan 4.420 nan 0.000 0.301 359 P C -2.771 174.581 177.300 0.087 0.000 1.309 359 P CA -1.676 61.460 63.100 0.059 0.000 0.782 359 P CB 0.351 32.082 31.700 0.051 0.000 1.282 370 G N 1.906 110.742 108.800 0.061 0.000 2.920 370 G HA2 0.167 3.796 3.960 -0.552 0.000 0.208 370 G HA3 0.167 3.796 3.960 -0.552 0.000 0.208 370 G C 0.259 175.198 174.900 0.064 0.000 1.159 370 G CA 0.276 45.410 45.100 0.057 0.000 0.784 370 G HN 0.064 nan 8.290 nan 0.000 0.535 371 L N -0.582 120.690 121.223 0.081 0.000 2.358 371 L HA 0.530 4.539 4.340 -0.552 0.000 0.268 371 L C 1.441 178.349 176.870 0.063 0.000 1.032 371 L CA -0.681 54.210 54.840 0.086 0.000 0.805 371 L CB 1.782 43.919 42.059 0.130 0.000 1.253 371 L HN -0.004 nan 8.230 nan 0.000 0.452 372 K N 2.050 122.483 120.400 0.056 0.000 2.166 372 K HA 0.186 4.175 4.320 -0.552 0.000 0.201 372 K C 0.004 176.629 176.600 0.043 0.000 1.052 372 K CA 0.629 56.940 56.287 0.040 0.000 0.969 372 K CB 0.318 32.838 32.500 0.034 0.000 0.761 372 K HN 0.662 nan 8.250 nan 0.000 0.459 373 M N 1.228 120.859 119.600 0.052 0.000 2.294 373 M HA 0.168 4.316 4.480 -0.552 0.000 0.280 373 M C -1.802 174.519 176.300 0.035 0.000 1.085 373 M CA -0.412 54.920 55.300 0.054 0.000 0.969 373 M CB 2.043 34.677 32.600 0.057 0.000 1.770 373 M HN 0.182 nan 8.290 nan 0.000 0.485 374 S N 3.275 118.981 115.700 0.010 0.000 2.732 374 S HA 1.041 5.179 4.470 -0.552 0.000 0.293 374 S C -1.093 173.431 174.600 -0.126 0.000 1.159 374 S CA -0.274 57.830 58.200 -0.159 0.000 0.847 374 S CB 2.383 65.421 63.200 -0.269 0.000 1.169 374 S HN 1.357 nan 8.310 nan 0.000 0.501 375 A N 1.187 123.788 122.820 -0.365 0.000 2.522 375 A HA 0.587 4.576 4.320 -0.552 0.000 0.290 375 A C -0.369 176.973 177.584 -0.402 0.000 1.047 375 A CA -0.675 51.127 52.037 -0.391 0.000 0.935 375 A CB 0.310 18.881 19.000 -0.715 0.000 1.451 375 A HN 0.806 nan 8.150 nan 0.000 0.398 376 T N 1.947 116.361 114.554 -0.233 0.000 2.919 376 T HA 0.469 4.488 4.350 -0.552 0.000 0.302 376 T C -0.446 174.229 174.700 -0.041 0.000 1.031 376 T CA 0.555 62.614 62.100 -0.069 0.000 1.127 376 T CB 0.279 69.169 68.868 0.038 0.000 0.952 376 T HN 0.656 nan 8.240 nan 0.000 0.540 377 F N 3.478 123.347 119.950 -0.135 0.000 2.467 377 F HA 0.623 4.826 4.527 -0.540 0.000 0.336 377 F C -1.003 174.766 175.800 -0.051 0.000 1.123 377 F CA -1.454 56.447 58.000 -0.166 0.000 0.964 377 F CB 0.802 39.653 39.000 -0.248 0.000 1.136 377 F HN 0.416 nan 8.300 nan 0.000 0.447 378 I N 6.378 126.567 120.570 -0.636 0.000 2.495 378 I HA 0.362 4.201 4.170 -0.552 0.000 0.277 378 I C 0.212 175.852 176.117 -0.796 0.000 1.045 378 I CA -0.660 60.367 61.300 -0.453 0.000 1.135 378 I CB 1.225 39.099 38.000 -0.210 0.000 1.241 378 I HN 0.772 nan 8.210 nan 0.000 0.469 379 G N 3.104 111.434 108.800 -0.783 0.000 2.348 379 G HA2 0.201 3.830 3.960 -0.552 0.000 0.312 379 G HA3 0.201 3.830 3.960 -0.552 0.000 0.312 379 G C -0.293 174.561 174.900 -0.078 0.000 1.126 379 G CA -0.518 44.300 45.100 -0.471 0.000 0.865 379 G HN 0.750 nan 8.290 nan 0.000 0.474 380 N N 1.337 120.044 118.700 0.011 0.000 3.025 380 N HA 0.180 4.589 4.740 -0.552 0.000 0.315 380 N C 0.555 176.111 175.510 0.076 0.000 1.511 380 N CA -0.517 52.646 53.050 0.189 0.000 1.097 380 N CB 0.138 38.771 38.487 0.243 0.000 1.395 380 N HN 0.465 nan 8.380 nan 0.000 0.511 381 S N -0.567 115.011 115.700 -0.204 0.000 2.610 381 S HA 0.081 4.219 4.470 -0.552 0.000 0.273 381 S C 1.570 175.933 174.600 -0.395 0.000 1.274 381 S CA -0.536 57.389 58.200 -0.458 0.000 1.023 381 S CB 1.411 63.938 63.200 -1.123 0.000 0.962 381 S HN 0.365 nan 8.310 nan 0.000 0.523 382 T N -1.481 112.905 114.554 -0.280 0.000 3.113 382 T HA 0.079 4.097 4.350 -0.552 0.000 0.263 382 T C 1.698 176.178 174.700 -0.368 0.000 1.143 382 T CA 0.493 62.423 62.100 -0.283 0.000 1.090 382 T CB -0.602 68.297 68.868 0.051 0.000 0.922 382 T HN 0.809 nan 8.240 nan 0.000 0.521 383 A N 1.594 124.189 122.820 -0.375 0.000 1.972 383 A HA 0.195 4.184 4.320 -0.552 0.000 0.219 383 A C 2.110 179.462 177.584 -0.385 0.000 1.169 383 A CA 0.772 52.615 52.037 -0.323 0.000 0.635 383 A CB -0.806 18.012 19.000 -0.304 0.000 0.810 383 A HN 0.603 nan 8.150 nan 0.000 0.446 384 I N 0.139 120.403 120.570 -0.510 0.000 3.294 384 I HA -0.232 3.607 4.170 -0.552 0.000 0.287 384 I C 2.327 178.040 176.117 -0.673 0.000 1.328 384 I CA 0.987 61.922 61.300 -0.608 0.000 1.375 384 I CB -0.220 37.388 38.000 -0.655 0.000 1.045 384 I HN 0.626 nan 8.210 nan 0.000 0.522 385 Q N 1.105 120.612 119.800 -0.488 0.000 2.016 385 Q HA -0.212 3.797 4.340 -0.552 0.000 0.200 385 Q C 1.169 177.023 176.000 -0.244 0.000 0.978 385 Q CA 1.255 56.895 55.803 -0.272 0.000 0.833 385 Q CB -0.111 28.533 28.738 -0.156 0.000 0.895 385 Q HN 0.504 nan 8.270 nan 0.000 0.427 386 E N 0.482 120.525 120.200 -0.261 0.000 2.506 386 E HA -0.073 3.946 4.350 -0.552 0.000 0.210 386 E C 0.800 177.263 176.600 -0.229 0.000 1.325 386 E CA 0.025 56.292 56.400 -0.223 0.000 1.273 386 E CB 0.091 29.644 29.700 -0.245 0.000 1.276 386 E HN 0.389 nan 8.360 nan 0.000 0.442 387 L N -2.853 118.189 121.223 -0.301 0.000 2.753 387 L HA 0.166 4.174 4.340 -0.552 0.000 0.238 387 L C 1.351 178.113 176.870 -0.180 0.000 1.028 387 L CA 0.218 54.877 54.840 -0.302 0.000 0.966 387 L CB 0.123 41.887 42.059 -0.491 0.000 1.681 387 L HN 0.055 nan 8.230 nan 0.000 0.511 388 F N 0.662 120.511 119.950 -0.169 0.000 2.365 388 F HA -0.072 4.099 4.527 -0.593 0.000 0.300 388 F C 2.253 177.976 175.800 -0.128 0.000 1.090 388 F CA 0.677 58.573 58.000 -0.174 0.000 1.408 388 F CB 0.023 38.902 39.000 -0.201 0.000 1.060 388 F HN 0.038 nan 8.300 nan 0.000 0.534 389 K N 0.400 120.826 120.400 0.044 0.000 1.973 389 K HA -0.218 3.771 4.320 -0.552 0.000 0.212 389 K C 2.128 178.729 176.600 0.002 0.000 1.047 389 K CA 1.225 57.515 56.287 0.005 0.000 0.937 389 K CB -0.165 32.313 32.500 -0.037 0.000 0.721 389 K HN -0.083 nan 8.250 nan 0.000 0.440 390 R N 1.435 121.924 120.500 -0.018 0.000 2.171 390 R HA -0.200 3.808 4.340 -0.552 0.000 0.232 390 R C 2.088 178.399 176.300 0.018 0.000 1.116 390 R CA 2.008 58.103 56.100 -0.009 0.000 0.901 390 R CB -1.011 29.271 30.300 -0.029 0.000 0.850 390 R HN 0.195 nan 8.270 nan 0.000 0.431 391 I N -0.027 120.561 120.570 0.029 0.000 2.074 391 I HA -0.378 3.461 4.170 -0.552 0.000 0.238 391 I C 2.418 178.556 176.117 0.034 0.000 1.037 391 I CA 2.214 63.539 61.300 0.041 0.000 1.301 391 I CB -1.596 36.434 38.000 0.050 0.000 1.016 391 I HN 0.321 nan 8.210 nan 0.000 0.400 392 S N -0.082 115.615 115.700 -0.005 0.000 2.392 392 S HA -0.273 3.865 4.470 -0.552 0.000 0.232 392 S C 1.876 176.508 174.600 0.055 0.000 1.041 392 S CA 2.113 60.290 58.200 -0.039 0.000 1.026 392 S CB -0.209 62.953 63.200 -0.063 0.000 0.845 392 S HN 0.550 nan 8.310 nan 0.000 0.465 393 E N 1.278 121.508 120.200 0.051 0.000 2.007 393 E HA -0.193 3.826 4.350 -0.552 0.000 0.194 393 E C 2.089 178.747 176.600 0.096 0.000 0.999 393 E CA 2.010 58.449 56.400 0.064 0.000 0.811 393 E CB -0.832 28.890 29.700 0.035 0.000 0.762 393 E HN 0.637 nan 8.360 nan 0.000 0.450 394 Q N -0.776 119.072 119.800 0.080 0.000 2.182 394 Q HA -0.244 3.765 4.340 -0.552 0.000 0.213 394 Q C 2.100 178.157 176.000 0.095 0.000 1.000 394 Q CA 1.811 57.655 55.803 0.069 0.000 0.889 394 Q CB -0.510 28.261 28.738 0.055 0.000 0.932 394 Q HN 0.322 nan 8.270 nan 0.000 0.415 395 F N 1.633 121.564 119.950 -0.032 0.000 1.988 395 F HA -0.301 3.897 4.527 -0.549 0.000 0.296 395 F C 2.812 178.663 175.800 0.086 0.000 1.178 395 F CA 2.241 60.234 58.000 -0.011 0.000 1.174 395 F CB -0.990 37.997 39.000 -0.022 0.000 0.963 395 F HN 0.191 nan 8.300 nan 0.000 0.489 396 T N -0.422 114.368 114.554 0.393 0.000 2.624 396 T HA -0.390 3.629 4.350 -0.552 0.000 0.266 396 T C 2.038 176.828 174.700 0.150 0.000 1.050 396 T CA 1.912 64.184 62.100 0.287 0.000 1.163 396 T CB -1.660 67.332 68.868 0.207 0.000 0.861 396 T HN 0.398 nan 8.240 nan 0.000 0.443 397 A N 2.164 125.039 122.820 0.092 0.000 2.032 397 A HA -0.005 3.984 4.320 -0.552 0.000 0.221 397 A C 2.488 180.074 177.584 0.004 0.000 1.165 397 A CA 2.333 54.393 52.037 0.039 0.000 0.645 397 A CB -0.819 18.199 19.000 0.029 0.000 0.807 397 A HN 0.908 nan 8.150 nan 0.000 0.453 398 M N -4.772 114.817 119.600 -0.018 0.000 2.571 398 M HA 0.365 4.514 4.480 -0.552 0.000 0.259 398 M C 1.835 178.116 176.300 -0.032 0.000 1.205 398 M CA 0.447 55.702 55.300 -0.075 0.000 1.138 398 M CB -0.066 32.431 32.600 -0.171 0.000 1.329 398 M HN 0.043 nan 8.290 nan 0.000 0.503 399 F N 2.591 122.432 119.950 -0.182 0.000 2.075 399 F HA -0.032 4.166 4.527 -0.548 0.000 0.297 399 F C 2.618 178.367 175.800 -0.085 0.000 1.113 399 F CA 1.998 59.917 58.000 -0.133 0.000 1.218 399 F CB -0.594 38.305 39.000 -0.169 0.000 0.984 399 F HN 0.196 nan 8.300 nan 0.000 0.472 400 R N 0.949 121.421 120.500 -0.046 0.000 2.196 400 R HA -0.230 3.778 4.340 -0.552 0.000 0.259 400 R C 1.597 177.767 176.300 -0.215 0.000 1.154 400 R CA 1.865 57.882 56.100 -0.138 0.000 0.976 400 R CB -0.581 29.695 30.300 -0.041 0.000 0.888 400 R HN 0.177 nan 8.270 nan 0.000 0.453 401 R N 0.749 121.141 120.500 -0.179 0.000 2.393 401 R HA 0.163 4.171 4.340 -0.552 0.000 0.244 401 R C 0.075 176.243 176.300 -0.221 0.000 0.920 401 R CA 0.198 56.188 56.100 -0.184 0.000 1.076 401 R CB 0.075 30.291 30.300 -0.140 0.000 1.119 401 R HN 0.313 nan 8.270 nan 0.000 0.524 402 K N -0.320 119.913 120.400 -0.277 0.000 3.020 402 K HA -0.286 3.702 4.320 -0.552 0.000 0.266 402 K C 1.016 177.551 176.600 -0.109 0.000 1.067 402 K CA 0.664 56.798 56.287 -0.256 0.000 0.780 402 K CB -1.896 30.413 32.500 -0.318 0.000 1.220 402 K HN 0.301 nan 8.250 nan 0.000 0.483 403 A N 1.231 123.980 122.820 -0.118 0.000 2.831 403 A HA -0.226 3.763 4.320 -0.552 0.000 0.235 403 A C 0.939 178.342 177.584 -0.302 0.000 1.043 403 A CA 2.176 54.024 52.037 -0.315 0.000 1.093 403 A CB -0.976 17.821 19.000 -0.339 0.000 0.585 403 A HN 0.344 nan 8.150 nan 0.000 0.469 404 F N 0.155 120.354 119.950 0.415 0.000 2.871 404 F HA 0.426 4.622 4.527 -0.552 0.000 0.317 404 F C 1.119 177.289 175.800 0.618 0.000 1.193 404 F CA 0.068 58.402 58.000 0.558 0.000 1.311 404 F CB -0.259 39.127 39.000 0.644 0.000 1.380 404 F HN 0.297 nan 8.300 nan 0.000 0.557 405 L N 0.698 122.153 121.223 0.387 0.000 2.209 405 L HA -0.119 3.890 4.340 -0.552 0.000 0.207 405 L C 3.045 180.031 176.870 0.194 0.000 1.094 405 L CA 0.702 55.644 54.840 0.169 0.000 0.790 405 L CB -0.405 41.542 42.059 -0.187 0.000 0.932 405 L HN 0.500 nan 8.230 nan 0.000 0.447 406 H N -1.862 117.182 119.070 -0.044 0.000 2.489 406 H HA -0.252 3.973 4.556 -0.552 0.000 0.295 406 H C 1.477 176.695 175.328 -0.183 0.000 1.082 406 H CA 1.512 57.448 56.048 -0.188 0.000 1.295 406 H CB -0.933 28.619 29.762 -0.351 0.000 1.380 406 H HN 0.508 nan 8.280 nan 0.000 0.548 407 W N 0.191 121.287 121.300 -0.340 0.000 2.800 407 W HA 0.009 4.338 4.660 -0.552 0.000 0.249 407 W C 1.308 177.674 176.519 -0.255 0.000 1.294 407 W CA 0.091 57.205 57.345 -0.385 0.000 1.402 407 W CB 0.049 29.328 29.460 -0.301 0.000 1.126 407 W HN 0.125 nan 8.180 nan 0.000 0.652 408 Y N -0.923 119.491 120.300 0.191 0.000 2.259 408 Y HA -0.073 4.145 4.550 -0.554 0.000 0.285 408 Y C 2.574 178.535 175.900 0.102 0.000 1.130 408 Y CA 1.525 59.757 58.100 0.219 0.000 1.144 408 Y CB -1.083 37.604 38.460 0.378 0.000 1.093 408 Y HN -0.350 nan 8.280 nan 0.000 0.507 409 T N -0.222 114.448 114.554 0.193 0.000 2.624 409 T HA -0.238 3.781 4.350 -0.552 0.000 0.268 409 T C 2.124 176.848 174.700 0.040 0.000 1.041 409 T CA 1.767 63.908 62.100 0.068 0.000 1.159 409 T CB -1.153 67.712 68.868 -0.006 0.000 0.863 409 T HN 0.613 nan 8.240 nan 0.000 0.434 410 G N 0.975 109.780 108.800 0.008 0.000 2.564 410 G HA2 -0.170 3.459 3.960 -0.552 0.000 0.217 410 G HA3 -0.170 3.459 3.960 -0.552 0.000 0.217 410 G C 1.163 176.083 174.900 0.033 0.000 1.120 410 G CA 0.523 45.617 45.100 -0.010 0.000 0.752 410 G HN 0.399 nan 8.290 nan 0.000 0.558 411 E N 0.093 120.330 120.200 0.060 0.000 2.499 411 E HA 0.251 4.270 4.350 -0.552 0.000 0.199 411 E C 1.064 177.705 176.600 0.068 0.000 1.016 411 E CA 0.169 56.614 56.400 0.076 0.000 0.933 411 E CB 0.121 29.875 29.700 0.090 0.000 1.050 411 E HN 0.335 nan 8.360 nan 0.000 0.462 412 G N 2.160 110.989 108.800 0.048 0.000 2.587 412 G HA2 -0.264 3.365 3.960 -0.552 0.000 0.274 412 G HA3 -0.264 3.365 3.960 -0.552 0.000 0.274 412 G C -0.252 174.628 174.900 -0.033 0.000 1.046 412 G CA 0.823 45.944 45.100 0.035 0.000 1.308 412 G HN 0.206 nan 8.290 nan 0.000 0.529 413 M N 0.370 119.954 119.600 -0.027 0.000 2.970 413 M HA 0.828 4.977 4.480 -0.552 0.000 0.284 413 M C -1.341 174.959 176.300 -0.001 0.000 1.254 413 M CA -0.785 54.466 55.300 -0.082 0.000 0.744 413 M CB 1.590 34.258 32.600 0.113 0.000 1.758 413 M HN 0.229 nan 8.290 nan 0.000 0.428 414 D N 0.244 120.679 120.400 0.058 0.000 2.756 414 D HA 0.216 4.525 4.640 -0.552 0.000 0.226 414 D C -0.762 175.599 176.300 0.100 0.000 1.186 414 D CA -0.332 53.710 54.000 0.069 0.000 0.845 414 D CB 1.749 42.596 40.800 0.078 0.000 1.610 414 D HN 0.666 nan 8.370 nan 0.000 0.465 415 E N 0.459 120.685 120.200 0.044 0.000 2.427 415 E HA -0.068 3.950 4.350 -0.552 0.000 0.196 415 E C 1.352 178.039 176.600 0.146 0.000 1.028 415 E CA 0.862 57.288 56.400 0.043 0.000 0.864 415 E CB 0.152 29.846 29.700 -0.011 0.000 0.813 415 E HN 0.289 nan 8.360 nan 0.000 0.514 416 M N -0.211 119.461 119.600 0.119 0.000 2.492 416 M HA 0.152 4.301 4.480 -0.552 0.000 0.255 416 M C 1.422 177.785 176.300 0.106 0.000 1.139 416 M CA 0.736 56.102 55.300 0.109 0.000 1.096 416 M CB 0.387 33.032 32.600 0.076 0.000 1.360 416 M HN -0.039 nan 8.290 nan 0.000 0.480 417 E N 0.072 120.360 120.200 0.147 0.000 2.047 417 E HA -0.114 3.904 4.350 -0.552 0.000 0.191 417 E C 1.520 178.118 176.600 -0.004 0.000 0.987 417 E CA 1.825 58.286 56.400 0.102 0.000 0.799 417 E CB -0.446 29.334 29.700 0.133 0.000 0.752 417 E HN 0.490 nan 8.360 nan 0.000 0.449 418 F N 0.631 120.462 119.950 -0.198 0.000 2.134 418 F HA -0.138 4.061 4.527 -0.547 0.000 0.299 418 F C 2.472 178.052 175.800 -0.367 0.000 1.097 418 F CA 1.593 59.401 58.000 -0.321 0.000 1.264 418 F CB -1.079 37.623 39.000 -0.495 0.000 1.001 418 F HN 0.030 nan 8.300 nan 0.000 0.479 419 T N -0.515 114.034 114.554 -0.008 0.000 2.652 419 T HA -0.281 3.738 4.350 -0.552 0.000 0.267 419 T C 1.855 176.463 174.700 -0.153 0.000 1.039 419 T CA 1.745 63.828 62.100 -0.029 0.000 1.153 419 T CB -0.402 68.519 68.868 0.090 0.000 0.863 419 T HN 0.349 nan 8.240 nan 0.000 0.428 420 E N 0.808 120.920 120.200 -0.146 0.000 2.045 420 E HA -0.270 3.748 4.350 -0.552 0.000 0.212 420 E C 2.392 178.661 176.600 -0.551 0.000 1.039 420 E CA 1.522 57.789 56.400 -0.223 0.000 0.860 420 E CB -0.387 29.247 29.700 -0.110 0.000 0.776 420 E HN 0.425 nan 8.360 nan 0.000 0.467 421 A N 0.956 123.240 122.820 -0.894 0.000 1.859 421 A HA -0.374 3.615 4.320 -0.552 0.000 0.218 421 A C 2.153 179.237 177.584 -0.832 0.000 1.209 421 A CA 2.495 53.744 52.037 -1.312 0.000 0.639 421 A CB -1.211 17.182 19.000 -1.012 0.000 0.835 421 A HN 0.629 nan 8.150 nan 0.000 0.450 422 E N -0.222 119.498 120.200 -0.800 0.000 2.055 422 E HA -0.239 3.780 4.350 -0.552 0.000 0.209 422 E C 2.140 178.494 176.600 -0.410 0.000 1.036 422 E CA 2.139 58.111 56.400 -0.713 0.000 0.849 422 E CB -0.313 28.998 29.700 -0.649 0.000 0.767 422 E HN 0.552 nan 8.360 nan 0.000 0.461 423 S N 0.665 116.187 115.700 -0.298 0.000 2.392 423 S HA -0.346 3.792 4.470 -0.552 0.000 0.225 423 S C 1.738 176.234 174.600 -0.174 0.000 1.041 423 S CA 1.545 59.638 58.200 -0.178 0.000 1.100 423 S CB -1.105 62.021 63.200 -0.124 0.000 1.029 423 S HN 0.520 nan 8.310 nan 0.000 0.424 424 N N 0.759 119.345 118.700 -0.190 0.000 2.053 424 N HA -0.269 4.140 4.740 -0.552 0.000 0.200 424 N C 1.989 177.431 175.510 -0.114 0.000 1.041 424 N CA 1.930 54.926 53.050 -0.091 0.000 0.882 424 N CB -0.296 38.206 38.487 0.026 0.000 1.080 424 N HN 0.317 nan 8.380 nan 0.000 0.481 425 M N 0.792 120.270 119.600 -0.203 0.000 2.260 425 M HA -0.190 3.959 4.480 -0.552 0.000 0.261 425 M C 1.595 177.766 176.300 -0.214 0.000 1.066 425 M CA 1.684 56.825 55.300 -0.264 0.000 1.082 425 M CB -0.849 31.515 32.600 -0.393 0.000 1.388 425 M HN 0.296 nan 8.290 nan 0.000 0.419 426 N N 0.975 119.562 118.700 -0.189 0.000 2.216 426 N HA -0.188 4.220 4.740 -0.552 0.000 0.183 426 N C 1.476 176.951 175.510 -0.058 0.000 1.017 426 N CA 1.804 54.784 53.050 -0.117 0.000 0.861 426 N CB -0.271 38.143 38.487 -0.122 0.000 0.986 426 N HN 0.502 nan 8.380 nan 0.000 0.428 427 D N 0.323 120.688 120.400 -0.059 0.000 2.144 427 D HA -0.175 4.133 4.640 -0.552 0.000 0.200 427 D C 2.048 178.347 176.300 -0.003 0.000 0.978 427 D CA 0.689 54.672 54.000 -0.028 0.000 0.833 427 D CB -0.402 40.381 40.800 -0.028 0.000 0.961 427 D HN 0.313 nan 8.370 nan 0.000 0.470 428 L N 0.810 122.028 121.223 -0.009 0.000 2.129 428 L HA -0.161 3.848 4.340 -0.552 0.000 0.212 428 L C 2.292 179.244 176.870 0.137 0.000 1.087 428 L CA 1.319 56.180 54.840 0.035 0.000 0.757 428 L CB -0.663 41.376 42.059 -0.034 0.000 0.896 428 L HN -0.037 nan 8.230 nan 0.000 0.434 429 V N -0.933 119.052 119.914 0.119 0.000 2.323 429 V HA -0.244 3.544 4.120 -0.552 0.000 0.244 429 V C 2.709 178.880 176.094 0.128 0.000 1.041 429 V CA 1.622 64.022 62.300 0.167 0.000 1.025 429 V CB -0.483 31.394 31.823 0.090 0.000 0.656 429 V HN 0.750 nan 8.190 nan 0.000 0.451 430 S N -0.016 115.720 115.700 0.059 0.000 2.427 430 S HA -0.370 3.769 4.470 -0.552 0.000 0.231 430 S C 2.154 176.771 174.600 0.028 0.000 1.045 430 S CA 2.426 60.641 58.200 0.025 0.000 1.154 430 S CB -0.726 62.471 63.200 -0.006 0.000 1.093 430 S HN 0.681 nan 8.310 nan 0.000 0.422 431 E N 0.069 120.277 120.200 0.013 0.000 2.095 431 E HA -0.291 3.727 4.350 -0.552 0.000 0.212 431 E C 1.899 178.532 176.600 0.055 0.000 1.044 431 E CA 2.243 58.630 56.400 -0.022 0.000 0.857 431 E CB -0.999 28.700 29.700 -0.002 0.000 0.764 431 E HN 0.857 nan 8.360 nan 0.000 0.462 432 Y N 0.621 120.983 120.300 0.102 0.000 2.348 432 Y HA -0.258 3.949 4.550 -0.572 0.000 0.285 432 Y C 2.794 178.777 175.900 0.138 0.000 1.173 432 Y CA 1.650 59.843 58.100 0.155 0.000 1.263 432 Y CB 0.041 38.545 38.460 0.074 0.000 0.974 432 Y HN 0.308 nan 8.280 nan 0.000 0.547 433 Q N -0.396 119.529 119.800 0.209 0.000 2.269 433 Q HA -0.156 3.852 4.340 -0.552 0.000 0.201 433 Q C 1.793 177.805 176.000 0.020 0.000 0.946 433 Q CA 0.530 56.397 55.803 0.107 0.000 0.877 433 Q CB 0.177 28.941 28.738 0.044 0.000 0.963 433 Q HN 0.415 nan 8.270 nan 0.000 0.472 434 Q N -0.825 118.888 119.800 -0.145 0.000 2.443 434 Q HA -0.178 3.831 4.340 -0.552 0.000 0.213 434 Q C 0.510 176.169 176.000 -0.569 0.000 0.982 434 Q CA 1.229 56.765 55.803 -0.445 0.000 0.894 434 Q CB 0.070 28.346 28.738 -0.769 0.000 0.947 434 Q HN 0.626 nan 8.270 nan 0.000 0.480 435 Y N -1.046 119.364 120.300 0.184 0.000 2.589 435 Y HA 0.102 4.322 4.550 -0.551 0.000 0.271 435 Y C 2.282 178.405 175.900 0.372 0.000 1.107 435 Y CA -0.242 58.081 58.100 0.370 0.000 1.273 435 Y CB 0.272 39.079 38.460 0.579 0.000 1.266 435 Y HN 0.015 nan 8.280 nan 0.000 0.504 436 Q N 0.684 120.709 119.800 0.375 0.000 2.439 436 Q HA -0.115 3.893 4.340 -0.552 0.000 0.211 436 Q C -0.136 175.997 176.000 0.222 0.000 0.978 436 Q CA 1.058 57.019 55.803 0.264 0.000 0.897 436 Q CB 0.277 29.114 28.738 0.165 0.000 0.956 436 Q HN 0.353 nan 8.270 nan 0.000 0.483 437 D N 0.000 120.517 120.400 0.195 0.000 6.856 437 D HA 0.000 4.309 4.640 -0.552 0.000 0.175 437 D CA 0.000 54.084 54.000 0.140 0.000 0.868 437 D CB 0.000 40.837 40.800 0.062 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683