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 1euq_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.698 174.700 -0.004 0.000 1.109 8 T CA 0.000 62.097 62.100 -0.004 0.000 1.349 8 T CB 0.000 68.871 68.868 0.006 0.000 0.612 9 N N 2.173 120.859 118.700 -0.023 0.000 2.761 9 N HA 0.522 5.263 4.740 0.002 0.000 0.283 9 N C 0.873 176.382 175.510 -0.001 0.000 1.377 9 N CA -1.053 52.003 53.050 0.010 0.000 0.791 9 N CB 0.078 38.541 38.487 -0.040 0.000 1.540 9 N HN 0.445 nan 8.380 nan 0.000 0.539 10 F N -0.516 119.402 119.950 -0.054 0.000 2.161 10 F HA 0.139 4.667 4.527 0.002 0.000 0.300 10 F C 1.438 177.163 175.800 -0.125 0.000 1.089 10 F CA 0.828 58.785 58.000 -0.072 0.000 1.282 10 F CB -0.615 38.355 39.000 -0.049 0.000 1.010 10 F HN 0.376 nan 8.300 nan 0.000 0.485 11 I N 0.586 120.475 120.570 -1.135 0.000 2.252 11 I HA -0.220 3.951 4.170 0.002 0.000 0.245 11 I C 2.701 178.513 176.117 -0.508 0.000 1.102 11 I CA 1.344 62.113 61.300 -0.886 0.000 1.385 11 I CB -0.477 37.051 38.000 -0.787 0.000 1.064 11 I HN 0.118 nan 8.210 nan 0.000 0.414 12 R N 0.311 120.599 120.500 -0.354 0.000 2.092 12 R HA -0.157 4.184 4.340 0.002 0.000 0.231 12 R C 2.283 178.491 176.300 -0.155 0.000 1.119 12 R CA 1.121 57.093 56.100 -0.214 0.000 0.970 12 R CB -0.260 30.010 30.300 -0.050 0.000 0.864 12 R HN 0.483 nan 8.270 nan 0.000 0.440 13 Q N 0.375 120.103 119.800 -0.121 0.000 2.124 13 Q HA -0.129 4.212 4.340 0.002 0.000 0.202 13 Q C 2.078 178.020 176.000 -0.097 0.000 0.977 13 Q CA 1.280 57.047 55.803 -0.059 0.000 0.850 13 Q CB -0.047 28.688 28.738 -0.004 0.000 0.901 13 Q HN 0.393 nan 8.270 nan 0.000 0.429 14 I N 0.183 120.641 120.570 -0.187 0.000 2.394 14 I HA -0.240 3.931 4.170 0.002 0.000 0.251 14 I C 2.029 178.039 176.117 -0.178 0.000 1.136 14 I CA 0.877 62.047 61.300 -0.218 0.000 1.425 14 I CB -0.145 37.577 38.000 -0.465 0.000 1.079 14 I HN 0.219 nan 8.210 nan 0.000 0.425 15 I N 0.630 121.023 120.570 -0.295 0.000 2.315 15 I HA -0.273 3.899 4.170 0.002 0.000 0.248 15 I C 2.005 178.006 176.117 -0.192 0.000 1.117 15 I CA 1.324 62.403 61.300 -0.369 0.000 1.404 15 I CB -0.429 37.131 38.000 -0.732 0.000 1.071 15 I HN 0.266 nan 8.210 nan 0.000 0.419 16 D N 0.711 121.057 120.400 -0.090 0.000 2.144 16 D HA -0.168 4.473 4.640 0.002 0.000 0.200 16 D C 1.963 178.279 176.300 0.026 0.000 0.978 16 D CA 1.237 55.255 54.000 0.031 0.000 0.833 16 D CB -0.089 40.751 40.800 0.067 0.000 0.961 16 D HN 0.444 nan 8.370 nan 0.000 0.470 17 E N 0.805 121.008 120.200 0.005 0.000 2.031 17 E HA -0.154 4.197 4.350 0.002 0.000 0.193 17 E C 1.624 178.248 176.600 0.040 0.000 0.994 17 E CA 0.950 57.361 56.400 0.018 0.000 0.800 17 E CB 0.052 29.756 29.700 0.005 0.000 0.752 17 E HN 0.083 nan 8.360 nan 0.000 0.447 18 D N 0.086 120.530 120.400 0.072 0.000 2.271 18 D HA -0.144 4.497 4.640 0.002 0.000 0.207 18 D C 1.562 177.937 176.300 0.126 0.000 0.983 18 D CA 0.590 54.675 54.000 0.141 0.000 0.878 18 D CB 0.016 41.034 40.800 0.364 0.000 0.920 18 D HN 0.018 nan 8.370 nan 0.000 0.479 19 L N 0.461 121.740 121.223 0.094 0.000 2.004 19 L HA 0.021 4.362 4.340 0.002 0.000 0.205 19 L C 2.350 179.258 176.870 0.063 0.000 1.089 19 L CA 1.565 56.459 54.840 0.089 0.000 0.756 19 L CB -1.093 41.017 42.059 0.086 0.000 0.900 19 L HN -0.019 nan 8.230 nan 0.000 0.440 20 A N -0.627 122.224 122.820 0.051 0.000 1.915 20 A HA -0.344 3.977 4.320 0.002 0.000 0.220 20 A C 2.503 180.102 177.584 0.025 0.000 1.198 20 A CA 2.970 55.028 52.037 0.036 0.000 0.647 20 A CB -1.382 17.637 19.000 0.030 0.000 0.825 20 A HN 0.632 nan 8.150 nan 0.000 0.456 21 S N -1.642 114.069 115.700 0.020 0.000 2.370 21 S HA 0.209 4.680 4.470 0.002 0.000 0.226 21 S C 1.671 176.270 174.600 -0.000 0.000 1.033 21 S CA 1.717 59.920 58.200 0.005 0.000 1.011 21 S CB -0.801 62.397 63.200 -0.004 0.000 0.852 21 S HN 2.228 nan 8.310 nan 0.000 0.457 22 G N 1.137 109.941 108.800 0.006 0.000 2.134 22 G HA2 -0.243 3.718 3.960 0.002 0.000 0.209 22 G HA3 -0.243 3.718 3.960 0.002 0.000 0.209 22 G C 0.518 175.396 174.900 -0.038 0.000 0.993 22 G CA 0.476 45.578 45.100 0.004 0.000 0.669 22 G HN 0.636 nan 8.290 nan 0.000 0.519 23 K N -0.460 119.888 120.400 -0.085 0.000 2.209 23 K HA -0.052 4.269 4.320 0.002 0.000 0.204 23 K C 0.747 177.087 176.600 -0.434 0.000 1.048 23 K CA 1.183 57.311 56.287 -0.265 0.000 0.940 23 K CB -0.054 32.264 32.500 -0.303 0.000 0.729 23 K HN 0.591 nan 8.250 nan 0.000 0.451 24 H N -2.394 116.690 119.070 0.023 0.000 2.977 24 H HA 0.124 4.681 4.556 0.002 0.000 0.350 24 H C 0.346 175.694 175.328 0.034 0.000 1.238 24 H CA 0.023 56.088 56.048 0.027 0.000 1.124 24 H CB 2.053 31.843 29.762 0.047 0.000 1.866 24 H HN 0.056 nan 8.280 nan 0.000 0.550 25 T N -2.462 112.202 114.554 0.185 0.000 3.114 25 T HA 0.108 4.459 4.350 0.002 0.000 0.240 25 T C 0.658 175.419 174.700 0.102 0.000 0.983 25 T CA 0.382 62.550 62.100 0.113 0.000 1.151 25 T CB 0.097 69.013 68.868 0.079 0.000 0.974 25 T HN 0.582 nan 8.240 nan 0.000 0.442 26 T N 1.801 116.409 114.554 0.091 0.000 2.885 26 T HA 0.742 5.093 4.350 0.002 0.000 0.285 26 T C -0.157 174.565 174.700 0.036 0.000 1.019 26 T CA -0.741 61.395 62.100 0.060 0.000 1.010 26 T CB 2.001 70.890 68.868 0.036 0.000 1.022 26 T HN 0.583 nan 8.240 nan 0.000 0.466 27 V N -0.112 119.810 119.914 0.014 0.000 2.743 27 V HA 0.684 4.805 4.120 0.002 0.000 0.301 27 V C -0.772 175.347 176.094 0.043 0.000 1.057 27 V CA -0.546 61.752 62.300 -0.004 0.000 1.006 27 V CB 1.206 32.961 31.823 -0.113 0.000 1.024 27 V HN 1.100 nan 8.190 nan 0.000 0.473 28 H N 3.028 122.076 119.070 -0.036 0.000 3.162 28 H HA 0.504 5.061 4.556 0.002 0.000 0.309 28 H C -0.198 175.101 175.328 -0.047 0.000 1.156 28 H CA 0.187 56.209 56.048 -0.044 0.000 1.586 28 H CB 1.057 30.790 29.762 -0.048 0.000 1.740 28 H HN 1.182 nan 8.280 nan 0.000 0.525 29 T N 1.492 116.156 114.554 0.183 0.000 2.880 29 T HA 0.762 5.113 4.350 0.002 0.000 0.279 29 T C 0.246 174.952 174.700 0.009 0.000 0.990 29 T CA -0.989 61.144 62.100 0.055 0.000 0.938 29 T CB 2.151 71.008 68.868 -0.019 0.000 1.206 29 T HN 0.617 nan 8.240 nan 0.000 0.573 30 R N -0.206 120.270 120.500 -0.041 0.000 2.664 30 R HA 0.439 4.781 4.340 0.002 0.000 0.266 30 R C -2.498 173.815 176.300 0.021 0.000 1.046 30 R CA -0.928 55.128 56.100 -0.075 0.000 0.885 30 R CB 0.768 31.002 30.300 -0.110 0.000 1.254 30 R HN 0.689 nan 8.270 nan 0.000 0.465 31 F N 4.850 124.697 119.950 -0.171 0.000 2.375 31 F HA 0.583 5.111 4.527 0.003 0.000 0.361 31 F C -2.193 173.490 175.800 -0.195 0.000 1.117 31 F CA -2.644 55.292 58.000 -0.106 0.000 1.037 31 F CB 2.186 41.194 39.000 0.013 0.000 1.192 31 F HN 0.377 nan 8.300 nan 0.000 0.452 32 P HA 0.243 nan 4.420 nan 0.000 0.223 32 P C -2.882 174.048 177.300 -0.616 0.000 1.878 32 P CA -1.396 61.393 63.100 -0.518 0.000 1.038 32 P CB 0.201 31.768 31.700 -0.223 0.000 1.774 33 P HA 0.050 nan 4.420 nan 0.000 0.268 33 P C -0.019 177.070 177.300 -0.352 0.000 1.204 33 P CA 0.416 63.062 63.100 -0.757 0.000 0.768 33 P CB 1.286 32.385 31.700 -1.003 0.000 0.842 34 E N 4.783 124.883 120.200 -0.167 0.000 2.331 34 E HA 0.199 4.550 4.350 0.002 0.000 0.272 34 E C -1.901 174.709 176.600 0.016 0.000 1.036 34 E CA -2.519 53.876 56.400 -0.008 0.000 0.864 34 E CB 0.706 30.415 29.700 0.016 0.000 1.035 34 E HN 0.319 nan 8.360 nan 0.000 0.408 35 P HA 0.121 nan 4.420 nan 0.000 0.232 35 P C -1.164 176.185 177.300 0.082 0.000 1.814 35 P CA -0.257 62.875 63.100 0.052 0.000 1.085 35 P CB -0.344 31.327 31.700 -0.050 0.000 1.901 36 N N 1.641 120.276 118.700 -0.107 0.000 2.517 36 N HA 0.380 5.121 4.740 0.002 0.000 0.285 36 N C 0.103 175.144 175.510 -0.781 0.000 1.528 36 N CA -0.787 52.166 53.050 -0.162 0.000 0.892 36 N CB 0.625 39.109 38.487 -0.005 0.000 1.356 36 N HN 0.328 nan 8.380 nan 0.000 0.495 37 G N -0.736 106.924 108.800 -1.899 0.000 2.356 37 G HA2 0.203 4.164 3.960 0.002 0.000 0.300 37 G HA3 0.203 4.164 3.960 0.002 0.000 0.300 37 G C -1.977 172.204 174.900 -1.198 0.000 1.331 37 G CA -1.009 42.953 45.100 -1.896 0.000 0.905 37 G HN -0.023 nan 8.290 nan 0.000 0.587 38 Y N -0.729 118.815 120.300 -1.260 0.000 2.392 38 Y HA 0.725 5.276 4.550 0.002 0.000 0.323 38 Y C 0.982 176.843 175.900 -0.066 0.000 1.291 38 Y CA -1.122 56.702 58.100 -0.459 0.000 1.345 38 Y CB 0.582 38.883 38.460 -0.265 0.000 1.320 38 Y HN 0.445 nan 8.280 nan 0.000 0.518 39 L N 1.528 122.866 121.223 0.192 0.000 2.453 39 L HA 0.202 4.543 4.340 0.002 0.000 0.261 39 L C -0.095 176.997 176.870 0.371 0.000 1.179 39 L CA -0.135 54.900 54.840 0.326 0.000 0.813 39 L CB -0.101 42.049 42.059 0.153 0.000 1.110 39 L HN 0.830 nan 8.230 nan 0.000 0.466 40 H N -0.762 118.562 119.070 0.424 0.000 2.946 40 H HA 0.393 4.950 4.556 0.002 0.000 0.365 40 H C 0.842 176.231 175.328 0.102 0.000 1.197 40 H CA -0.945 55.197 56.048 0.156 0.000 1.131 40 H CB 0.336 30.140 29.762 0.070 0.000 1.849 40 H HN 0.405 nan 8.280 nan 0.000 0.555 41 I N 1.416 122.142 120.570 0.260 0.000 2.191 41 I HA -0.306 3.865 4.170 0.002 0.000 0.248 41 I C 2.240 178.497 176.117 0.232 0.000 1.061 41 I CA 2.674 64.100 61.300 0.209 0.000 1.329 41 I CB -0.771 37.330 38.000 0.169 0.000 1.024 41 I HN 0.960 nan 8.210 nan 0.000 0.423 42 G N -1.173 107.837 108.800 0.350 0.000 2.476 42 G HA2 -0.343 3.618 3.960 0.002 0.000 0.218 42 G HA3 -0.343 3.618 3.960 0.002 0.000 0.218 42 G C 1.450 176.408 174.900 0.097 0.000 1.164 42 G CA 1.468 46.710 45.100 0.237 0.000 0.768 42 G HN 0.631 nan 8.290 nan 0.000 0.560 43 H N 0.609 119.634 119.070 -0.076 0.000 2.319 43 H HA 0.010 4.568 4.556 0.002 0.000 0.299 43 H C 2.986 178.271 175.328 -0.073 0.000 1.092 43 H CA 0.952 56.982 56.048 -0.032 0.000 1.302 43 H CB -0.040 29.681 29.762 -0.067 0.000 1.373 43 H HN 0.427 nan 8.280 nan 0.000 0.497 44 A N 1.375 124.237 122.820 0.071 0.000 1.958 44 A HA -0.308 4.014 4.320 0.002 0.000 0.221 44 A C 2.188 179.750 177.584 -0.038 0.000 1.178 44 A CA 2.044 54.080 52.037 -0.003 0.000 0.642 44 A CB -0.584 18.476 19.000 0.101 0.000 0.816 44 A HN 0.422 nan 8.150 nan 0.000 0.453 45 K N -0.475 119.944 120.400 0.032 0.000 2.002 45 K HA -0.164 4.158 4.320 0.002 0.000 0.209 45 K C 2.362 178.935 176.600 -0.045 0.000 1.048 45 K CA 1.776 58.058 56.287 -0.009 0.000 0.930 45 K CB -0.325 32.203 32.500 0.048 0.000 0.714 45 K HN 0.435 nan 8.250 nan 0.000 0.438 46 S N 0.653 116.398 115.700 0.076 0.000 2.399 46 S HA -0.066 4.406 4.470 0.002 0.000 0.231 46 S C 1.934 176.486 174.600 -0.081 0.000 1.022 46 S CA 0.942 59.227 58.200 0.142 0.000 0.983 46 S CB -0.241 63.225 63.200 0.444 0.000 0.803 46 S HN 0.361 nan 8.310 nan 0.000 0.480 47 I N 0.749 121.116 120.570 -0.338 0.000 2.546 47 I HA -0.127 4.044 4.170 0.002 0.000 0.255 47 I C 2.279 178.024 176.117 -0.620 0.000 1.163 47 I CA 0.580 61.489 61.300 -0.651 0.000 1.457 47 I CB -0.760 36.718 38.000 -0.870 0.000 1.092 47 I HN 0.453 nan 8.210 nan 0.000 0.434 48 C N 0.388 119.432 119.300 -0.428 0.000 2.522 48 C HA -0.039 4.422 4.460 0.002 0.000 0.280 48 C C 2.750 177.614 174.990 -0.210 0.000 1.303 48 C CA 0.036 58.840 59.018 -0.356 0.000 1.709 48 C CB -0.656 26.994 27.740 -0.150 0.000 2.071 48 C HN 0.444 nan 8.230 nan 0.000 0.492 49 L N 1.323 122.427 121.223 -0.198 0.000 1.963 49 L HA -0.243 4.098 4.340 0.002 0.000 0.220 49 L C 2.419 179.214 176.870 -0.124 0.000 1.076 49 L CA 1.912 56.631 54.840 -0.201 0.000 0.772 49 L CB -0.611 41.249 42.059 -0.332 0.000 0.892 49 L HN 0.500 nan 8.230 nan 0.000 0.435 50 N N -0.859 117.796 118.700 -0.075 0.000 2.216 50 N HA -0.159 4.582 4.740 0.002 0.000 0.183 50 N C 1.812 177.274 175.510 -0.080 0.000 1.017 50 N CA 1.442 54.459 53.050 -0.056 0.000 0.861 50 N CB -0.195 38.287 38.487 -0.008 0.000 0.986 50 N HN 0.300 nan 8.380 nan 0.000 0.428 51 F N 1.063 120.883 119.950 -0.217 0.000 2.293 51 F HA 0.058 4.586 4.527 0.002 0.000 0.297 51 F C 2.588 178.378 175.800 -0.018 0.000 1.089 51 F CA 0.730 58.646 58.000 -0.141 0.000 1.377 51 F CB -0.395 38.400 39.000 -0.342 0.000 1.051 51 F HN 0.047 nan 8.300 nan 0.000 0.511 52 G N 0.296 109.168 108.800 0.120 0.000 2.394 52 G HA2 -0.166 3.795 3.960 0.002 0.000 0.215 52 G HA3 -0.166 3.795 3.960 0.002 0.000 0.215 52 G C 1.742 176.705 174.900 0.105 0.000 1.165 52 G CA 0.635 45.815 45.100 0.133 0.000 0.784 52 G HN 0.277 nan 8.290 nan 0.000 0.535 53 I N 1.407 122.017 120.570 0.068 0.000 2.127 53 I HA -0.250 3.921 4.170 0.002 0.000 0.241 53 I C 3.339 179.581 176.117 0.208 0.000 1.075 53 I CA 1.138 62.517 61.300 0.131 0.000 1.334 53 I CB -0.313 37.667 38.000 -0.034 0.000 1.040 53 I HN 0.267 nan 8.210 nan 0.000 0.405 54 A N 1.051 123.921 122.820 0.083 0.000 1.851 54 A HA -0.308 4.013 4.320 0.002 0.000 0.216 54 A C 2.292 179.938 177.584 0.104 0.000 1.195 54 A CA 2.263 54.340 52.037 0.067 0.000 0.622 54 A CB -1.027 17.960 19.000 -0.021 0.000 0.831 54 A HN 0.668 nan 8.150 nan 0.000 0.444 55 Q N -1.033 118.833 119.800 0.111 0.000 2.124 55 Q HA -0.216 4.125 4.340 0.002 0.000 0.202 55 Q C 0.963 176.990 176.000 0.045 0.000 0.977 55 Q CA 1.707 57.565 55.803 0.091 0.000 0.850 55 Q CB -0.543 28.272 28.738 0.129 0.000 0.901 55 Q HN 0.486 nan 8.270 nan 0.000 0.429 56 D N -0.033 120.388 120.400 0.036 0.000 2.263 56 D HA -0.111 4.530 4.640 0.002 0.000 0.208 56 D C 0.324 176.452 176.300 -0.287 0.000 0.971 56 D CA 0.994 54.923 54.000 -0.118 0.000 0.867 56 D CB 0.019 40.734 40.800 -0.142 0.000 0.929 56 D HN 0.450 nan 8.370 nan 0.000 0.492 57 Y N 0.118 120.404 120.300 -0.023 0.000 2.636 57 Y HA 0.174 4.725 4.550 0.003 0.000 0.260 57 Y C 0.164 176.051 175.900 -0.022 0.000 1.177 57 Y CA -0.574 57.510 58.100 -0.026 0.000 1.209 57 Y CB 0.416 38.853 38.460 -0.037 0.000 1.166 57 Y HN -0.330 nan 8.280 nan 0.000 0.531 58 K N 0.480 120.922 120.400 0.069 0.000 3.257 58 K HA -0.176 4.145 4.320 0.002 0.000 0.270 58 K C 0.312 176.933 176.600 0.035 0.000 0.984 58 K CA 0.824 57.133 56.287 0.037 0.000 0.739 58 K CB -1.578 30.934 32.500 0.020 0.000 1.351 58 K HN 0.638 nan 8.250 nan 0.000 0.463 59 G N -0.267 108.551 108.800 0.031 0.000 3.122 59 G HA2 0.648 4.610 3.960 0.002 0.000 0.180 59 G HA3 0.648 4.610 3.960 0.002 0.000 0.180 59 G C -0.860 173.971 174.900 -0.116 0.000 1.279 59 G CA -0.371 44.709 45.100 -0.034 0.000 0.987 59 G HN 0.098 nan 8.290 nan 0.000 0.589 60 Q N -1.272 118.376 119.800 -0.253 0.000 2.315 60 Q HA 0.458 4.799 4.340 0.002 0.000 0.273 60 Q C -1.606 174.266 176.000 -0.214 0.000 1.053 60 Q CA -0.454 55.146 55.803 -0.339 0.000 0.817 60 Q CB 2.068 30.400 28.738 -0.676 0.000 1.326 60 Q HN 0.591 nan 8.270 nan 0.000 0.423 61 C N 2.939 122.158 119.300 -0.136 0.000 2.563 61 C HA 0.755 5.216 4.460 0.002 0.000 0.314 61 C C -1.108 173.796 174.990 -0.143 0.000 1.199 61 C CA -0.252 58.642 59.018 -0.207 0.000 1.564 61 C CB 0.910 28.262 27.740 -0.647 0.000 2.173 61 C HN 0.870 nan 8.230 nan 0.000 0.485 62 N N 2.839 121.487 118.700 -0.088 0.000 2.469 62 N HA 0.626 5.367 4.740 0.002 0.000 0.286 62 N C -1.490 173.950 175.510 -0.117 0.000 1.275 62 N CA -0.573 52.480 53.050 0.006 0.000 0.790 62 N CB 1.588 40.110 38.487 0.059 0.000 1.446 62 N HN 0.667 nan 8.380 nan 0.000 0.501 63 L N 0.186 121.282 121.223 -0.213 0.000 2.313 63 L HA 0.556 4.897 4.340 0.002 0.000 0.283 63 L C -0.316 176.231 176.870 -0.538 0.000 1.013 63 L CA -0.371 54.210 54.840 -0.431 0.000 0.816 63 L CB 0.854 42.405 42.059 -0.847 0.000 1.236 63 L HN 0.607 nan 8.230 nan 0.000 0.419 64 R N 4.076 124.224 120.500 -0.586 0.000 2.628 64 R HA 0.527 4.868 4.340 0.002 0.000 0.288 64 R C -1.789 174.083 176.300 -0.713 0.000 0.980 64 R CA -0.536 55.247 56.100 -0.529 0.000 0.891 64 R CB 1.119 31.255 30.300 -0.274 0.000 1.188 64 R HN 0.535 nan 8.270 nan 0.000 0.450 65 F N 2.648 122.345 119.950 -0.422 0.000 2.371 65 F HA 0.201 4.729 4.527 0.002 0.000 0.363 65 F C 0.497 176.224 175.800 -0.121 0.000 1.122 65 F CA -0.526 57.289 58.000 -0.307 0.000 1.129 65 F CB 1.365 40.152 39.000 -0.355 0.000 1.173 65 F HN 0.406 nan 8.300 nan 0.000 0.489 66 D N 3.589 124.006 120.400 0.028 0.000 2.671 66 D HA -0.019 4.622 4.640 0.002 0.000 0.228 66 D C -0.056 176.363 176.300 0.198 0.000 1.102 66 D CA 0.100 54.161 54.000 0.103 0.000 1.044 66 D CB -0.242 40.622 40.800 0.106 0.000 1.113 66 D HN 0.433 nan 8.370 nan 0.000 0.480 67 D N 0.168 120.731 120.400 0.273 0.000 2.713 67 D HA -0.036 4.606 4.640 0.002 0.000 0.229 67 D C 1.135 177.709 176.300 0.458 0.000 1.136 67 D CA -0.329 53.904 54.000 0.389 0.000 1.010 67 D CB -0.041 41.078 40.800 0.532 0.000 1.084 67 D HN 0.106 nan 8.370 nan 0.000 0.495 68 T N -2.707 112.068 114.554 0.368 0.000 3.037 68 T HA 0.003 4.354 4.350 0.002 0.000 0.252 68 T C 0.849 175.715 174.700 0.277 0.000 1.073 68 T CA -0.280 62.072 62.100 0.420 0.000 1.091 68 T CB -0.069 68.992 68.868 0.320 0.000 0.935 68 T HN 0.111 nan 8.240 nan 0.000 0.488 69 N N 3.163 121.962 118.700 0.166 0.000 2.949 69 N HA 0.272 5.013 4.740 0.002 0.000 0.243 69 N C -1.609 173.881 175.510 -0.034 0.000 1.113 69 N CA -2.557 50.510 53.050 0.028 0.000 0.980 69 N CB 1.432 39.953 38.487 0.057 0.000 1.256 69 N HN 0.088 nan 8.380 nan 0.000 0.508 70 P HA -0.250 nan 4.420 nan 0.000 0.217 70 P C 1.415 178.664 177.300 -0.085 0.000 1.158 70 P CA 1.554 64.546 63.100 -0.181 0.000 0.887 70 P CB 0.055 31.520 31.700 -0.391 0.000 0.792 71 V N -2.167 117.700 119.914 -0.078 0.000 2.688 71 V HA -0.153 3.969 4.120 0.002 0.000 0.256 71 V C 1.969 178.076 176.094 0.021 0.000 1.084 71 V CA 1.827 64.121 62.300 -0.010 0.000 1.103 71 V CB -1.250 30.579 31.823 0.010 0.000 0.688 71 V HN 0.028 nan 8.190 nan 0.000 0.480 72 K N 0.009 120.425 120.400 0.027 0.000 2.367 72 K HA 0.319 4.640 4.320 0.002 0.000 0.195 72 K C 0.612 177.260 176.600 0.080 0.000 1.060 72 K CA 0.104 56.428 56.287 0.063 0.000 1.022 72 K CB 0.584 33.124 32.500 0.066 0.000 0.894 72 K HN 0.630 nan 8.250 nan 0.000 0.540 73 E N 1.082 121.297 120.200 0.025 0.000 2.314 73 E HA 0.168 4.520 4.350 0.002 0.000 0.262 73 E C -0.672 175.820 176.600 -0.180 0.000 1.093 73 E CA -0.270 56.109 56.400 -0.036 0.000 0.908 73 E CB 0.934 30.576 29.700 -0.097 0.000 1.091 73 E HN -0.034 nan 8.360 nan 0.000 0.425 74 D N 0.962 121.160 120.400 -0.337 0.000 2.837 74 D HA 0.042 4.683 4.640 0.002 0.000 0.220 74 D C 0.326 176.255 176.300 -0.617 0.000 1.236 74 D CA -0.544 53.163 54.000 -0.489 0.000 0.838 74 D CB 1.760 42.254 40.800 -0.509 0.000 1.647 74 D HN 0.363 nan 8.370 nan 0.000 0.486 75 I N 3.470 123.759 120.570 -0.469 0.000 2.236 75 I HA -0.226 3.945 4.170 0.002 0.000 0.249 75 I C 2.113 178.005 176.117 -0.375 0.000 1.102 75 I CA 1.899 62.990 61.300 -0.349 0.000 1.365 75 I CB -0.274 37.616 38.000 -0.184 0.000 1.051 75 I HN 0.642 nan 8.210 nan 0.000 0.420 76 E N -0.623 119.304 120.200 -0.455 0.000 2.097 76 E HA -0.300 4.052 4.350 0.002 0.000 0.196 76 E C 2.170 178.464 176.600 -0.510 0.000 1.000 76 E CA 1.783 57.912 56.400 -0.451 0.000 0.804 76 E CB -0.282 29.126 29.700 -0.487 0.000 0.740 76 E HN 0.598 nan 8.360 nan 0.000 0.454 77 Y N 0.224 120.273 120.300 -0.419 0.000 2.089 77 Y HA -0.211 4.340 4.550 0.002 0.000 0.282 77 Y C 2.591 178.222 175.900 -0.448 0.000 1.139 77 Y CA 1.003 58.772 58.100 -0.552 0.000 1.123 77 Y CB -1.430 36.757 38.460 -0.455 0.000 0.980 77 Y HN 0.080 nan 8.280 nan 0.000 0.493 78 V N 0.680 120.395 119.914 -0.332 0.000 2.439 78 V HA -0.338 3.783 4.120 0.002 0.000 0.253 78 V C 1.698 177.625 176.094 -0.278 0.000 1.074 78 V CA 2.547 64.497 62.300 -0.583 0.000 1.076 78 V CB -0.411 30.793 31.823 -1.031 0.000 0.664 78 V HN 0.544 nan 8.190 nan 0.000 0.461 79 E N 1.118 121.192 120.200 -0.209 0.000 2.072 79 E HA -0.136 4.215 4.350 0.002 0.000 0.191 79 E C 2.432 178.993 176.600 -0.064 0.000 0.985 79 E CA 1.619 57.962 56.400 -0.096 0.000 0.801 79 E CB -0.322 29.316 29.700 -0.102 0.000 0.750 79 E HN 0.880 nan 8.360 nan 0.000 0.452 80 S N 1.039 116.634 115.700 -0.175 0.000 2.371 80 S HA -0.084 4.387 4.470 0.002 0.000 0.224 80 S C 2.154 176.707 174.600 -0.079 0.000 1.029 80 S CA 0.515 58.605 58.200 -0.183 0.000 0.978 80 S CB -0.496 62.378 63.200 -0.544 0.000 0.833 80 S HN 0.139 nan 8.310 nan 0.000 0.466 81 I N 1.932 122.463 120.570 -0.065 0.000 2.208 81 I HA -0.207 3.964 4.170 0.002 0.000 0.245 81 I C 2.848 179.020 176.117 0.093 0.000 1.097 81 I CA 1.587 62.915 61.300 0.046 0.000 1.363 81 I CB -0.355 37.752 38.000 0.178 0.000 1.051 81 I HN 0.325 nan 8.210 nan 0.000 0.413 82 K N 0.894 121.386 120.400 0.154 0.000 2.032 82 K HA -0.258 4.063 4.320 0.002 0.000 0.209 82 K C 1.977 178.728 176.600 0.252 0.000 1.048 82 K CA 2.077 58.467 56.287 0.171 0.000 0.927 82 K CB -0.104 32.545 32.500 0.247 0.000 0.712 82 K HN 0.162 nan 8.250 nan 0.000 0.441 83 N N 0.957 119.769 118.700 0.187 0.000 2.080 83 N HA -0.146 4.596 4.740 0.002 0.000 0.189 83 N C 1.199 176.845 175.510 0.227 0.000 1.036 83 N CA 1.830 55.003 53.050 0.204 0.000 0.846 83 N CB -0.136 38.432 38.487 0.136 0.000 1.015 83 N HN 0.146 nan 8.380 nan 0.000 0.423 84 D N -0.298 120.194 120.400 0.154 0.000 2.190 84 D HA -0.126 4.515 4.640 0.002 0.000 0.200 84 D C 1.978 178.415 176.300 0.228 0.000 0.992 84 D CA 0.688 54.797 54.000 0.182 0.000 0.854 84 D CB -0.334 40.519 40.800 0.088 0.000 0.936 84 D HN 0.141 nan 8.370 nan 0.000 0.462 85 V N 1.128 121.129 119.914 0.145 0.000 2.295 85 V HA -0.218 3.903 4.120 0.002 0.000 0.246 85 V C 2.427 178.616 176.094 0.158 0.000 1.049 85 V CA 1.598 63.938 62.300 0.067 0.000 1.024 85 V CB -0.375 31.456 31.823 0.015 0.000 0.648 85 V HN 0.174 nan 8.190 nan 0.000 0.447 86 E N -1.249 119.109 120.200 0.263 0.000 2.007 86 E HA -0.288 4.064 4.350 0.002 0.000 0.194 86 E C 1.942 178.555 176.600 0.021 0.000 0.999 86 E CA 1.727 58.181 56.400 0.091 0.000 0.811 86 E CB -0.293 29.502 29.700 0.157 0.000 0.762 86 E HN 0.679 nan 8.360 nan 0.000 0.450 87 W N 1.828 123.117 121.300 -0.017 0.000 2.275 87 W HA -0.298 4.364 4.660 0.003 0.000 0.321 87 W C 1.989 178.466 176.519 -0.070 0.000 1.269 87 W CA 1.776 59.103 57.345 -0.030 0.000 1.274 87 W CB -0.465 29.004 29.460 0.015 0.000 1.141 87 W HN 0.078 nan 8.180 nan 0.000 0.493 88 L N -0.506 120.837 121.223 0.200 0.000 2.079 88 L HA -0.083 4.258 4.340 0.002 0.000 0.210 88 L C 1.963 178.597 176.870 -0.394 0.000 1.081 88 L CA 1.850 56.731 54.840 0.068 0.000 0.752 88 L CB -0.817 41.450 42.059 0.348 0.000 0.896 88 L HN 0.425 nan 8.230 nan 0.000 0.433 89 G N -2.113 106.339 108.800 -0.579 0.000 2.215 89 G HA2 -0.124 3.837 3.960 0.002 0.000 0.187 89 G HA3 -0.124 3.837 3.960 0.002 0.000 0.187 89 G C -0.344 173.767 174.900 -1.314 0.000 1.039 89 G CA -0.689 43.843 45.100 -0.946 0.000 0.771 89 G HN 0.118 nan 8.290 nan 0.000 0.507 90 F N 1.129 120.814 119.950 -0.443 0.000 2.577 90 F HA 0.767 5.295 4.527 0.002 0.000 0.318 90 F C 0.304 175.833 175.800 -0.451 0.000 1.065 90 F CA -1.094 56.652 58.000 -0.423 0.000 0.929 90 F CB 1.623 40.210 39.000 -0.688 0.000 1.237 90 F HN -0.017 nan 8.300 nan 0.000 0.468 91 H N 0.172 119.438 119.070 0.327 0.000 2.572 91 H HA 0.258 4.815 4.556 0.002 0.000 0.359 91 H C -1.187 174.463 175.328 0.537 0.000 1.134 91 H CA -1.162 54.997 56.048 0.184 0.000 1.187 91 H CB 1.724 31.443 29.762 -0.071 0.000 1.597 91 H HN 0.832 nan 8.280 nan 0.000 0.524 92 W N 0.818 122.398 121.300 0.466 0.000 2.359 92 W HA 0.494 5.155 4.660 0.002 0.000 0.344 92 W C 0.347 176.968 176.519 0.170 0.000 1.170 92 W CA -1.124 56.410 57.345 0.315 0.000 1.296 92 W CB 0.435 30.056 29.460 0.268 0.000 1.197 92 W HN 0.385 nan 8.180 nan 0.000 0.618 93 S N 2.330 118.232 115.700 0.336 0.000 2.510 93 S HA 0.449 4.920 4.470 0.002 0.000 0.279 93 S C 0.968 175.715 174.600 0.245 0.000 1.284 93 S CA 0.638 58.949 58.200 0.185 0.000 1.059 93 S CB -0.559 62.704 63.200 0.104 0.000 0.901 93 S HN 1.562 nan 8.310 nan 0.000 0.491 94 G N 5.655 114.550 108.800 0.159 0.000 2.581 94 G HA2 -0.292 3.669 3.960 0.002 0.000 0.291 94 G HA3 -0.292 3.669 3.960 0.002 0.000 0.291 94 G C -0.050 175.012 174.900 0.269 0.000 1.277 94 G CA 0.299 45.499 45.100 0.166 0.000 0.959 94 G HN 0.833 nan 8.290 nan 0.000 0.554 95 N N -0.999 117.858 118.700 0.261 0.000 2.364 95 N HA 0.462 5.204 4.740 0.002 0.000 0.264 95 N C 0.337 176.082 175.510 0.392 0.000 1.263 95 N CA -0.288 52.964 53.050 0.336 0.000 0.959 95 N CB 0.467 39.094 38.487 0.232 0.000 1.204 95 N HN 0.537 nan 8.380 nan 0.000 0.550 96 V N 1.760 121.896 119.914 0.370 0.000 2.488 96 V HA 0.240 4.361 4.120 0.002 0.000 0.277 96 V C 0.313 176.497 176.094 0.150 0.000 1.046 96 V CA -0.340 62.047 62.300 0.145 0.000 0.986 96 V CB 0.247 32.187 31.823 0.196 0.000 0.989 96 V HN 0.434 nan 8.190 nan 0.000 0.475 97 R N 4.230 124.730 120.500 0.001 0.000 2.532 97 R HA 0.546 4.887 4.340 0.002 0.000 0.295 97 R C -1.298 174.971 176.300 -0.053 0.000 0.968 97 R CA -0.584 55.543 56.100 0.044 0.000 0.916 97 R CB 1.126 31.461 30.300 0.059 0.000 1.124 97 R HN 0.595 nan 8.270 nan 0.000 0.463 98 Y N -0.458 119.774 120.300 -0.113 0.000 2.446 98 Y HA 0.153 4.705 4.550 0.002 0.000 0.338 98 Y C 1.526 177.281 175.900 -0.242 0.000 1.055 98 Y CA -0.429 57.625 58.100 -0.077 0.000 1.101 98 Y CB 2.283 40.689 38.460 -0.089 0.000 1.221 98 Y HN 0.573 nan 8.280 nan 0.000 0.460 99 S N 0.228 115.950 115.700 0.037 0.000 2.400 99 S HA -0.212 4.260 4.470 0.002 0.000 0.232 99 S C 2.028 176.490 174.600 -0.230 0.000 1.025 99 S CA 1.701 59.935 58.200 0.058 0.000 0.993 99 S CB -0.375 62.903 63.200 0.130 0.000 0.808 99 S HN 0.834 nan 8.310 nan 0.000 0.478 100 S N 1.931 117.327 115.700 -0.506 0.000 2.440 100 S HA -0.158 4.313 4.470 0.002 0.000 0.238 100 S C 1.121 175.263 174.600 -0.764 0.000 1.010 100 S CA 1.162 58.594 58.200 -1.280 0.000 0.972 100 S CB -0.480 62.048 63.200 -1.120 0.000 0.774 100 S HN 0.367 nan 8.310 nan 0.000 0.501 101 D N 1.055 121.126 120.400 -0.549 0.000 2.218 101 D HA -0.058 4.583 4.640 0.002 0.000 0.204 101 D C 0.591 176.638 176.300 -0.423 0.000 0.976 101 D CA 1.029 54.719 54.000 -0.516 0.000 0.853 101 D CB -0.345 40.039 40.800 -0.694 0.000 0.939 101 D HN 0.651 nan 8.370 nan 0.000 0.481 102 Y N -0.677 119.608 120.300 -0.026 0.000 2.532 102 Y HA 0.170 4.721 4.550 0.002 0.000 0.283 102 Y C 1.445 177.467 175.900 0.203 0.000 1.181 102 Y CA -0.753 57.387 58.100 0.067 0.000 1.256 102 Y CB -0.428 38.047 38.460 0.024 0.000 1.112 102 Y HN -0.193 nan 8.280 nan 0.000 0.521 103 F N 1.328 121.321 119.950 0.071 0.000 2.069 103 F HA -0.215 4.313 4.527 0.002 0.000 0.298 103 F C 1.549 177.402 175.800 0.090 0.000 1.113 103 F CA 1.369 59.335 58.000 -0.058 0.000 1.214 103 F CB -1.027 37.789 39.000 -0.307 0.000 0.978 103 F HN 0.213 nan 8.300 nan 0.000 0.474 104 D N -0.889 119.807 120.400 0.493 0.000 2.144 104 D HA -0.197 4.444 4.640 0.002 0.000 0.199 104 D C 2.057 178.560 176.300 0.338 0.000 0.984 104 D CA 0.983 55.263 54.000 0.468 0.000 0.834 104 D CB -0.330 40.690 40.800 0.366 0.000 0.955 104 D HN 0.124 nan 8.370 nan 0.000 0.465 105 Q N 0.090 120.064 119.800 0.289 0.000 2.061 105 Q HA -0.122 4.219 4.340 0.002 0.000 0.204 105 Q C 1.818 177.985 176.000 0.278 0.000 0.984 105 Q CA 1.001 56.937 55.803 0.223 0.000 0.846 105 Q CB -0.286 28.615 28.738 0.272 0.000 0.902 105 Q HN 0.203 nan 8.270 nan 0.000 0.421 106 L N -0.326 121.105 121.223 0.347 0.000 2.083 106 L HA -0.178 4.163 4.340 0.002 0.000 0.209 106 L C 2.241 179.483 176.870 0.621 0.000 1.083 106 L CA 1.953 57.057 54.840 0.441 0.000 0.752 106 L CB -1.600 40.711 42.059 0.419 0.000 0.899 106 L HN 0.432 nan 8.230 nan 0.000 0.433 107 H N 0.218 119.484 119.070 0.328 0.000 2.290 107 H HA -0.123 4.434 4.556 0.002 0.000 0.298 107 H C 2.109 177.561 175.328 0.207 0.000 1.087 107 H CA 1.908 58.079 56.048 0.205 0.000 1.291 107 H CB 0.040 29.892 29.762 0.150 0.000 1.369 107 H HN 0.227 nan 8.280 nan 0.000 0.492 108 A N -0.109 122.742 122.820 0.051 0.000 1.892 108 A HA -0.241 4.080 4.320 0.002 0.000 0.218 108 A C 2.282 179.781 177.584 -0.142 0.000 1.188 108 A CA 1.893 53.839 52.037 -0.150 0.000 0.631 108 A CB -1.351 17.519 19.000 -0.217 0.000 0.822 108 A HN 0.600 nan 8.150 nan 0.000 0.447 109 Y N -0.153 120.209 120.300 0.103 0.000 2.224 109 Y HA -0.102 4.449 4.550 0.002 0.000 0.289 109 Y C 2.946 178.958 175.900 0.187 0.000 1.146 109 Y CA 0.575 58.752 58.100 0.129 0.000 1.182 109 Y CB -0.843 37.682 38.460 0.109 0.000 0.983 109 Y HN 0.341 nan 8.280 nan 0.000 0.524 110 A N 0.065 123.116 122.820 0.383 0.000 1.908 110 A HA -0.192 4.130 4.320 0.002 0.000 0.218 110 A C 2.301 179.787 177.584 -0.163 0.000 1.181 110 A CA 1.897 53.934 52.037 -0.000 0.000 0.627 110 A CB -1.079 17.821 19.000 -0.167 0.000 0.818 110 A HN 0.475 nan 8.150 nan 0.000 0.445 111 I N -0.807 119.685 120.570 -0.130 0.000 2.252 111 I HA -0.255 3.916 4.170 0.002 0.000 0.245 111 I C 2.540 178.618 176.117 -0.065 0.000 1.102 111 I CA 1.744 62.968 61.300 -0.127 0.000 1.385 111 I CB -0.331 37.583 38.000 -0.144 0.000 1.064 111 I HN 0.548 nan 8.210 nan 0.000 0.414 112 E N 1.407 121.594 120.200 -0.022 0.000 2.097 112 E HA -0.240 4.112 4.350 0.002 0.000 0.196 112 E C 2.308 178.913 176.600 0.007 0.000 1.000 112 E CA 1.369 57.774 56.400 0.008 0.000 0.804 112 E CB -0.058 29.685 29.700 0.071 0.000 0.740 112 E HN 0.452 nan 8.360 nan 0.000 0.454 113 L N 0.483 121.715 121.223 0.014 0.000 2.056 113 L HA -0.177 4.164 4.340 0.002 0.000 0.207 113 L C 2.591 179.459 176.870 -0.002 0.000 1.078 113 L CA 0.949 55.792 54.840 0.004 0.000 0.749 113 L CB -0.480 41.593 42.059 0.024 0.000 0.901 113 L HN 0.255 nan 8.230 nan 0.000 0.433 114 I N 0.243 120.779 120.570 -0.056 0.000 2.127 114 I HA -0.334 3.837 4.170 0.002 0.000 0.241 114 I C 2.094 178.208 176.117 -0.005 0.000 1.075 114 I CA 1.897 63.169 61.300 -0.047 0.000 1.334 114 I CB -0.576 37.359 38.000 -0.109 0.000 1.040 114 I HN 0.330 nan 8.210 nan 0.000 0.405 115 N N 0.653 119.346 118.700 -0.012 0.000 2.104 115 N HA -0.230 4.511 4.740 0.002 0.000 0.190 115 N C 1.765 177.280 175.510 0.008 0.000 1.024 115 N CA 1.153 54.203 53.050 -0.001 0.000 0.853 115 N CB -0.109 38.374 38.487 -0.008 0.000 1.008 115 N HN 0.224 nan 8.380 nan 0.000 0.424 116 K N -0.061 120.343 120.400 0.007 0.000 2.515 116 K HA -0.033 4.288 4.320 0.002 0.000 0.196 116 K C 0.681 177.302 176.600 0.035 0.000 1.038 116 K CA 0.625 56.920 56.287 0.013 0.000 0.967 116 K CB 0.025 32.525 32.500 0.000 0.000 0.780 116 K HN 0.314 nan 8.250 nan 0.000 0.483 117 G N 0.667 109.492 108.800 0.042 0.000 2.148 117 G HA2 -0.242 3.719 3.960 0.002 0.000 0.254 117 G HA3 -0.242 3.719 3.960 0.002 0.000 0.254 117 G C 0.368 175.333 174.900 0.108 0.000 0.981 117 G CA 0.331 45.468 45.100 0.062 0.000 0.670 117 G HN 0.313 nan 8.290 nan 0.000 0.528 118 L N 0.004 121.310 121.223 0.138 0.000 2.728 118 L HA 0.643 4.984 4.340 0.002 0.000 0.235 118 L C 0.981 178.016 176.870 0.276 0.000 1.197 118 L CA 0.509 55.503 54.840 0.256 0.000 0.992 118 L CB -0.092 42.176 42.059 0.347 0.000 1.263 118 L HN 0.606 nan 8.230 nan 0.000 0.484 119 A N 0.087 123.012 122.820 0.175 0.000 2.594 119 A HA 0.714 5.035 4.320 0.002 0.000 0.296 119 A C -1.726 175.924 177.584 0.110 0.000 1.061 119 A CA -0.448 51.630 52.037 0.068 0.000 0.689 119 A CB 1.388 20.343 19.000 -0.076 0.000 1.280 119 A HN 0.210 nan 8.150 nan 0.000 0.406 120 Y N -1.499 118.746 120.300 -0.090 0.000 2.624 120 Y HA 0.643 5.195 4.550 0.002 0.000 0.334 120 Y C -1.141 174.720 175.900 -0.064 0.000 1.155 120 Y CA -1.444 56.617 58.100 -0.065 0.000 1.046 120 Y CB 0.912 39.361 38.460 -0.019 0.000 1.316 120 Y HN 0.481 nan 8.280 nan 0.000 0.457 121 V N 3.194 123.161 119.914 0.089 0.000 2.370 121 V HA 0.120 4.241 4.120 0.002 0.000 0.257 121 V C -0.282 175.850 176.094 0.063 0.000 1.064 121 V CA 0.261 62.569 62.300 0.013 0.000 0.975 121 V CB -0.059 31.819 31.823 0.091 0.000 1.067 121 V HN 0.757 nan 8.190 nan 0.000 0.485 122 D N 3.662 124.016 120.400 -0.076 0.000 2.264 122 D HA 0.248 4.889 4.640 0.002 0.000 0.249 122 D C 0.637 176.845 176.300 -0.154 0.000 1.070 122 D CA -0.256 53.778 54.000 0.058 0.000 0.912 122 D CB 1.381 42.197 40.800 0.028 0.000 1.193 122 D HN 0.583 nan 8.370 nan 0.000 0.427 123 E N 1.451 121.479 120.200 -0.286 0.000 2.693 123 E HA 0.117 4.468 4.350 0.002 0.000 0.214 123 E C -0.358 176.133 176.600 -0.181 0.000 0.990 123 E CA -0.457 55.680 56.400 -0.439 0.000 1.047 123 E CB 0.478 29.680 29.700 -0.831 0.000 1.039 123 E HN 0.292 nan 8.360 nan 0.000 0.475 124 L N 2.616 123.833 121.223 -0.011 0.000 2.462 124 L HA 0.012 4.353 4.340 0.002 0.000 0.272 124 L C 1.123 177.983 176.870 -0.017 0.000 1.166 124 L CA 0.488 55.336 54.840 0.013 0.000 0.880 124 L CB 0.058 42.084 42.059 -0.057 0.000 1.142 124 L HN 0.084 nan 8.230 nan 0.000 0.473 125 T N 1.846 116.403 114.554 0.005 0.000 2.855 125 T HA 0.079 4.431 4.350 0.002 0.000 0.322 125 T C -1.664 173.045 174.700 0.016 0.000 1.088 125 T CA -1.094 61.008 62.100 0.003 0.000 1.104 125 T CB 0.171 69.053 68.868 0.023 0.000 0.996 125 T HN 0.467 nan 8.240 nan 0.000 0.549 126 P HA -0.164 nan 4.420 nan 0.000 0.215 126 P C 1.449 178.772 177.300 0.038 0.000 1.163 126 P CA 1.482 64.595 63.100 0.023 0.000 0.894 126 P CB -0.004 31.711 31.700 0.025 0.000 0.791 127 E N -0.418 119.807 120.200 0.042 0.000 2.065 127 E HA -0.272 4.079 4.350 0.002 0.000 0.201 127 E C 2.217 178.862 176.600 0.076 0.000 1.016 127 E CA 1.510 57.941 56.400 0.052 0.000 0.818 127 E CB -0.678 29.052 29.700 0.050 0.000 0.749 127 E HN 0.393 nan 8.360 nan 0.000 0.453 128 Q N 0.387 120.240 119.800 0.087 0.000 2.014 128 Q HA -0.191 4.150 4.340 0.002 0.000 0.207 128 Q C 2.447 178.548 176.000 0.169 0.000 0.993 128 Q CA 1.527 57.417 55.803 0.145 0.000 0.850 128 Q CB -0.377 28.428 28.738 0.111 0.000 0.916 128 Q HN 0.385 nan 8.270 nan 0.000 0.417 129 I N 0.643 121.261 120.570 0.080 0.000 2.300 129 I HA -0.373 3.798 4.170 0.002 0.000 0.252 129 I C 2.549 178.731 176.117 0.108 0.000 1.119 129 I CA 1.346 62.687 61.300 0.067 0.000 1.384 129 I CB -0.058 37.954 38.000 0.020 0.000 1.062 129 I HN 0.185 nan 8.210 nan 0.000 0.426 130 R N 0.764 121.320 120.500 0.093 0.000 2.062 130 R HA -0.161 4.181 4.340 0.002 0.000 0.229 130 R C 2.121 178.477 176.300 0.092 0.000 1.128 130 R CA 1.612 57.758 56.100 0.076 0.000 0.960 130 R CB -0.205 30.125 30.300 0.051 0.000 0.855 130 R HN 0.459 nan 8.270 nan 0.000 0.432 131 E N -0.402 119.865 120.200 0.112 0.000 2.070 131 E HA -0.248 4.103 4.350 0.002 0.000 0.197 131 E C 1.831 178.472 176.600 0.069 0.000 1.004 131 E CA 1.657 58.103 56.400 0.077 0.000 0.805 131 E CB -0.267 29.482 29.700 0.082 0.000 0.744 131 E HN 0.425 nan 8.360 nan 0.000 0.451 132 Y N 0.728 121.034 120.300 0.010 0.000 2.421 132 Y HA -0.092 4.459 4.550 0.002 0.000 0.292 132 Y C 2.328 178.230 175.900 0.005 0.000 1.136 132 Y CA 0.793 58.897 58.100 0.007 0.000 1.255 132 Y CB -0.138 38.332 38.460 0.017 0.000 0.991 132 Y HN -0.062 nan 8.280 nan 0.000 0.552 133 R N 0.316 120.904 120.500 0.146 0.000 2.159 133 R HA -0.031 4.310 4.340 0.002 0.000 0.237 133 R C 1.180 177.504 176.300 0.039 0.000 1.131 133 R CA 0.952 57.101 56.100 0.081 0.000 0.982 133 R CB -0.522 29.813 30.300 0.059 0.000 0.868 133 R HN 0.530 nan 8.270 nan 0.000 0.453 134 G N -0.867 107.943 108.800 0.016 0.000 2.584 134 G HA2 -0.308 3.653 3.960 0.002 0.000 0.229 134 G HA3 -0.308 3.653 3.960 0.002 0.000 0.229 134 G C -0.178 174.718 174.900 -0.008 0.000 1.320 134 G CA -0.087 45.008 45.100 -0.009 0.000 0.891 134 G HN 0.512 nan 8.290 nan 0.000 0.573 135 T N -3.121 111.424 114.554 -0.015 0.000 2.716 135 T HA 0.663 5.014 4.350 0.002 0.000 0.286 135 T C 1.541 176.228 174.700 -0.023 0.000 1.052 135 T CA 0.033 62.123 62.100 -0.017 0.000 1.024 135 T CB 1.076 69.932 68.868 -0.021 0.000 1.349 135 T HN 1.081 nan 8.240 nan 0.000 0.525 136 L N 0.880 122.087 121.223 -0.025 0.000 2.551 136 L HA 0.038 4.380 4.340 0.002 0.000 0.230 136 L C 2.138 178.984 176.870 -0.041 0.000 1.163 136 L CA 1.691 56.510 54.840 -0.034 0.000 0.826 136 L CB -1.038 41.001 42.059 -0.033 0.000 0.943 136 L HN 1.031 nan 8.230 nan 0.000 0.452 137 T N -6.238 108.294 114.554 -0.036 0.000 3.080 137 T HA 0.070 4.422 4.350 0.002 0.000 0.280 137 T C 0.444 175.122 174.700 -0.036 0.000 0.926 137 T CA -0.353 61.724 62.100 -0.039 0.000 0.883 137 T CB 0.470 69.318 68.868 -0.035 0.000 1.194 137 T HN 0.157 nan 8.240 nan 0.000 0.541 138 Q N 2.703 122.483 119.800 -0.033 0.000 2.327 138 Q HA 0.437 4.778 4.340 0.002 0.000 0.270 138 Q C -2.832 173.150 176.000 -0.029 0.000 1.022 138 Q CA -2.734 53.050 55.803 -0.032 0.000 0.773 138 Q CB 2.439 31.158 28.738 -0.033 0.000 1.251 138 Q HN 0.123 nan 8.270 nan 0.000 0.457 139 P HA -0.054 nan 4.420 nan 0.000 0.269 139 P C -0.066 177.226 177.300 -0.014 0.000 1.211 139 P CA 0.218 63.306 63.100 -0.020 0.000 0.781 139 P CB 0.633 32.320 31.700 -0.020 0.000 0.877 140 G N 1.046 109.847 108.800 0.002 0.000 2.547 140 G HA2 0.514 4.475 3.960 0.002 0.000 0.291 140 G HA3 0.514 4.475 3.960 0.002 0.000 0.291 140 G C -0.647 174.270 174.900 0.029 0.000 1.211 140 G CA -0.774 44.340 45.100 0.022 0.000 0.950 140 G HN 0.622 nan 8.290 nan 0.000 0.504 141 K N -0.041 120.399 120.400 0.068 0.000 2.376 141 K HA 0.290 4.612 4.320 0.002 0.000 0.257 141 K C -0.465 176.287 176.600 0.252 0.000 0.939 141 K CA -0.731 55.610 56.287 0.091 0.000 0.809 141 K CB 1.833 34.306 32.500 -0.045 0.000 1.121 141 K HN 0.501 nan 8.250 nan 0.000 0.425 142 N N 1.501 120.286 118.700 0.142 0.000 2.293 142 N HA -0.126 4.615 4.740 0.002 0.000 0.253 142 N C -0.185 175.403 175.510 0.132 0.000 1.248 142 N CA 0.345 53.455 53.050 0.100 0.000 0.845 142 N CB 0.522 39.018 38.487 0.016 0.000 1.073 142 N HN 0.684 nan 8.380 nan 0.000 0.464 143 S N 2.592 118.280 115.700 -0.020 0.000 2.601 143 S HA 0.220 4.691 4.470 0.002 0.000 0.271 143 S C -1.315 173.140 174.600 -0.243 0.000 1.305 143 S CA -1.543 56.506 58.200 -0.251 0.000 1.022 143 S CB 1.043 64.138 63.200 -0.174 0.000 0.940 143 S HN 0.433 nan 8.310 nan 0.000 0.525 144 P HA -0.027 nan 4.420 nan 0.000 0.230 144 P C 0.272 177.287 177.300 -0.475 0.000 1.158 144 P CA 0.935 63.775 63.100 -0.433 0.000 0.769 144 P CB -0.102 31.264 31.700 -0.556 0.000 0.807 145 Y N -0.135 120.101 120.300 -0.107 0.000 2.503 145 Y HA 0.201 4.752 4.550 0.002 0.000 0.278 145 Y C 2.854 178.604 175.900 -0.249 0.000 1.111 145 Y CA -0.204 57.846 58.100 -0.085 0.000 1.270 145 Y CB -1.026 37.440 38.460 0.010 0.000 1.063 145 Y HN -0.195 nan 8.280 nan 0.000 0.548 146 R N 0.851 121.136 120.500 -0.358 0.000 2.190 146 R HA -0.216 4.125 4.340 0.002 0.000 0.255 146 R C 0.240 176.085 176.300 -0.759 0.000 1.143 146 R CA 2.269 57.741 56.100 -1.047 0.000 0.965 146 R CB -0.317 29.630 30.300 -0.589 0.000 0.889 146 R HN 0.267 nan 8.270 nan 0.000 0.448 147 D N 0.681 120.875 120.400 -0.343 0.000 2.690 147 D HA 0.036 4.677 4.640 0.002 0.000 0.236 147 D C -0.108 176.132 176.300 -0.099 0.000 1.218 147 D CA 0.038 53.918 54.000 -0.201 0.000 0.829 147 D CB 0.171 40.891 40.800 -0.133 0.000 1.009 147 D HN 0.226 nan 8.370 nan 0.000 0.482 148 R N 0.639 121.099 120.500 -0.067 0.000 2.801 148 R HA 0.126 4.467 4.340 0.002 0.000 0.273 148 R C 1.016 177.325 176.300 0.015 0.000 1.080 148 R CA -0.043 56.066 56.100 0.015 0.000 1.197 148 R CB 0.599 30.945 30.300 0.076 0.000 1.109 148 R HN 0.094 nan 8.270 nan 0.000 0.535 149 S N -0.553 115.164 115.700 0.029 0.000 2.601 149 S HA 0.061 4.532 4.470 0.002 0.000 0.271 149 S C 1.486 176.109 174.600 0.038 0.000 1.305 149 S CA -0.968 57.248 58.200 0.026 0.000 1.022 149 S CB 1.411 64.625 63.200 0.024 0.000 0.940 149 S HN 0.347 nan 8.310 nan 0.000 0.525 150 V N 2.083 122.016 119.914 0.032 0.000 2.324 150 V HA -0.199 3.922 4.120 0.002 0.000 0.250 150 V C 2.541 178.658 176.094 0.038 0.000 1.060 150 V CA 2.443 64.763 62.300 0.034 0.000 1.042 150 V CB -1.413 30.424 31.823 0.024 0.000 0.650 150 V HN 0.875 nan 8.190 nan 0.000 0.450 151 E N 0.283 120.503 120.200 0.034 0.000 2.077 151 E HA -0.192 4.159 4.350 0.002 0.000 0.193 151 E C 2.203 178.832 176.600 0.048 0.000 0.989 151 E CA 1.443 57.864 56.400 0.036 0.000 0.800 151 E CB -0.329 29.387 29.700 0.028 0.000 0.746 151 E HN 0.711 nan 8.360 nan 0.000 0.452 152 E N 0.313 120.545 120.200 0.054 0.000 2.106 152 E HA -0.131 4.220 4.350 0.002 0.000 0.192 152 E C 1.826 178.481 176.600 0.091 0.000 0.984 152 E CA 0.955 57.396 56.400 0.069 0.000 0.806 152 E CB -0.247 29.495 29.700 0.071 0.000 0.750 152 E HN 0.338 nan 8.360 nan 0.000 0.458 153 N N 0.400 119.154 118.700 0.091 0.000 2.106 153 N HA -0.136 4.605 4.740 0.002 0.000 0.188 153 N C 1.762 177.346 175.510 0.124 0.000 1.029 153 N CA 0.453 53.566 53.050 0.106 0.000 0.848 153 N CB 0.014 38.553 38.487 0.087 0.000 1.007 153 N HN -0.026 nan 8.380 nan 0.000 0.423 154 L N 1.287 122.569 121.223 0.098 0.000 2.012 154 L HA -0.156 4.185 4.340 0.002 0.000 0.210 154 L C 2.366 179.314 176.870 0.131 0.000 1.073 154 L CA 1.475 56.386 54.840 0.119 0.000 0.748 154 L CB -0.851 41.251 42.059 0.070 0.000 0.891 154 L HN 0.135 nan 8.230 nan 0.000 0.431 155 A N -0.878 121.998 122.820 0.092 0.000 1.851 155 A HA -0.208 4.113 4.320 0.002 0.000 0.216 155 A C 2.156 179.794 177.584 0.090 0.000 1.195 155 A CA 1.843 53.922 52.037 0.070 0.000 0.622 155 A CB -0.957 18.075 19.000 0.052 0.000 0.831 155 A HN 0.286 nan 8.150 nan 0.000 0.444 156 L N -1.610 119.694 121.223 0.135 0.000 2.012 156 L HA -0.153 4.188 4.340 0.002 0.000 0.210 156 L C 2.310 179.332 176.870 0.253 0.000 1.073 156 L CA 1.751 56.712 54.840 0.202 0.000 0.748 156 L CB -1.468 40.739 42.059 0.246 0.000 0.891 156 L HN 0.488 nan 8.230 nan 0.000 0.431 157 F N 1.227 121.217 119.950 0.068 0.000 2.043 157 F HA -0.295 4.233 4.527 0.002 0.000 0.297 157 F C 2.658 178.476 175.800 0.031 0.000 1.121 157 F CA 2.044 60.066 58.000 0.035 0.000 1.199 157 F CB -0.682 38.310 39.000 -0.013 0.000 0.968 157 F HN 0.248 nan 8.300 nan 0.000 0.478 158 E N 0.801 120.997 120.200 -0.006 0.000 2.114 158 E HA -0.279 4.072 4.350 0.002 0.000 0.199 158 E C 2.286 178.796 176.600 -0.149 0.000 1.008 158 E CA 2.052 58.375 56.400 -0.128 0.000 0.810 158 E CB -0.542 29.139 29.700 -0.032 0.000 0.739 158 E HN 0.437 nan 8.360 nan 0.000 0.456 159 K N -0.366 119.974 120.400 -0.101 0.000 2.026 159 K HA -0.154 4.167 4.320 0.002 0.000 0.208 159 K C 2.262 178.759 176.600 -0.172 0.000 1.048 159 K CA 1.668 57.840 56.287 -0.192 0.000 0.929 159 K CB -0.239 32.058 32.500 -0.338 0.000 0.713 159 K HN 0.246 nan 8.250 nan 0.000 0.439 160 M N 0.390 119.978 119.600 -0.020 0.000 2.082 160 M HA -0.234 4.247 4.480 0.002 0.000 0.258 160 M C 2.437 178.687 176.300 -0.084 0.000 1.071 160 M CA 1.761 57.119 55.300 0.097 0.000 1.103 160 M CB -0.418 32.280 32.600 0.163 0.000 1.307 160 M HN 0.115 nan 8.290 nan 0.000 0.409 161 R N 0.405 120.751 120.500 -0.257 0.000 2.127 161 R HA -0.120 4.221 4.340 0.002 0.000 0.238 161 R C 1.621 177.803 176.300 -0.197 0.000 1.134 161 R CA 1.691 57.605 56.100 -0.311 0.000 0.975 161 R CB -0.214 29.774 30.300 -0.521 0.000 0.865 161 R HN 0.419 nan 8.270 nan 0.000 0.447 162 A N -0.518 122.205 122.820 -0.162 0.000 2.251 162 A HA 0.228 4.549 4.320 0.002 0.000 0.209 162 A C 1.123 178.681 177.584 -0.043 0.000 1.187 162 A CA 0.704 52.670 52.037 -0.118 0.000 0.823 162 A CB -0.023 18.902 19.000 -0.126 0.000 0.846 162 A HN 0.496 nan 8.150 nan 0.000 0.486 163 G N -1.567 107.240 108.800 0.011 0.000 2.176 163 G HA2 -0.171 3.790 3.960 0.002 0.000 0.252 163 G HA3 -0.171 3.790 3.960 0.002 0.000 0.252 163 G C 1.060 176.030 174.900 0.117 0.000 1.024 163 G CA 0.470 45.692 45.100 0.203 0.000 0.755 163 G HN 1.225 nan 8.290 nan 0.000 0.507 164 G N -0.973 107.775 108.800 -0.086 0.000 2.534 164 G HA2 0.320 4.281 3.960 0.002 0.000 0.217 164 G HA3 0.320 4.281 3.960 0.002 0.000 0.217 164 G C 0.390 175.139 174.900 -0.252 0.000 1.128 164 G CA 0.526 45.472 45.100 -0.258 0.000 0.784 164 G HN 0.431 nan 8.290 nan 0.000 0.542 165 F N 0.711 120.735 119.950 0.123 0.000 2.469 165 F HA 0.456 4.984 4.527 0.002 0.000 0.332 165 F C 0.434 176.390 175.800 0.260 0.000 1.103 165 F CA -1.821 56.256 58.000 0.128 0.000 0.979 165 F CB 1.491 40.537 39.000 0.077 0.000 1.137 165 F HN 0.022 nan 8.300 nan 0.000 0.463 166 E N 0.908 121.358 120.200 0.416 0.000 2.410 166 E HA 0.105 4.456 4.350 0.002 0.000 0.255 166 E C -0.384 176.477 176.600 0.434 0.000 1.194 166 E CA -0.532 56.107 56.400 0.398 0.000 0.955 166 E CB 0.458 30.281 29.700 0.205 0.000 0.988 166 E HN 0.527 nan 8.360 nan 0.000 0.461 167 E N -0.167 120.333 120.200 0.500 0.000 2.437 167 E HA -0.001 4.351 4.350 0.002 0.000 0.263 167 E C 0.906 177.599 176.600 0.155 0.000 1.030 167 E CA 0.681 57.250 56.400 0.282 0.000 0.934 167 E CB 0.245 30.115 29.700 0.284 0.000 0.943 167 E HN 0.789 nan 8.360 nan 0.000 0.444 168 G N 2.522 111.376 108.800 0.089 0.000 2.238 168 G HA2 -0.389 3.572 3.960 0.002 0.000 0.270 168 G HA3 -0.389 3.572 3.960 0.002 0.000 0.270 168 G C 1.138 176.040 174.900 0.005 0.000 0.977 168 G CA 1.093 46.220 45.100 0.045 0.000 0.639 168 G HN 0.461 nan 8.290 nan 0.000 0.544 169 K N 0.533 120.939 120.400 0.009 0.000 2.432 169 K HA 0.620 4.941 4.320 0.002 0.000 0.196 169 K C 1.025 177.444 176.600 -0.302 0.000 1.038 169 K CA 1.291 57.523 56.287 -0.090 0.000 0.986 169 K CB 0.116 32.612 32.500 -0.006 0.000 0.782 169 K HN 1.198 nan 8.250 nan 0.000 0.485 170 A N -1.109 121.567 122.820 -0.240 0.000 2.608 170 A HA 0.628 4.949 4.320 0.002 0.000 0.292 170 A C -1.322 176.194 177.584 -0.113 0.000 1.066 170 A CA -0.607 51.235 52.037 -0.325 0.000 0.676 170 A CB 0.717 19.344 19.000 -0.622 0.000 1.277 170 A HN 0.243 nan 8.150 nan 0.000 0.413 171 C N -0.405 118.835 119.300 -0.101 0.000 3.285 171 C HA 0.806 5.267 4.460 0.002 0.000 0.325 171 C C -1.212 173.731 174.990 -0.078 0.000 1.304 171 C CA -0.810 58.182 59.018 -0.042 0.000 1.319 171 C CB 0.402 28.103 27.740 -0.064 0.000 1.640 171 C HN 1.321 nan 8.230 nan 0.000 0.477 172 L N 2.201 123.393 121.223 -0.052 0.000 2.289 172 L HA 0.752 5.093 4.340 0.002 0.000 0.285 172 L C 0.063 176.743 176.870 -0.317 0.000 1.049 172 L CA 0.108 54.827 54.840 -0.201 0.000 0.804 172 L CB 0.603 42.512 42.059 -0.251 0.000 1.195 172 L HN 0.813 nan 8.230 nan 0.000 0.428 173 R N 3.278 123.459 120.500 -0.532 0.000 2.807 173 R HA 0.768 5.109 4.340 0.002 0.000 0.276 173 R C -0.937 175.078 176.300 -0.476 0.000 0.979 173 R CA -0.943 54.823 56.100 -0.557 0.000 0.928 173 R CB 1.949 31.783 30.300 -0.776 0.000 1.191 173 R HN 0.777 nan 8.270 nan 0.000 0.471 174 A N 1.583 124.245 122.820 -0.264 0.000 2.304 174 A HA 0.248 4.569 4.320 0.002 0.000 0.271 174 A C -0.203 177.363 177.584 -0.029 0.000 1.091 174 A CA -0.201 51.770 52.037 -0.109 0.000 0.812 174 A CB 0.442 19.313 19.000 -0.214 0.000 1.056 174 A HN 0.618 nan 8.150 nan 0.000 0.489 175 K N 2.435 122.898 120.400 0.105 0.000 2.385 175 K HA 0.340 4.661 4.320 0.002 0.000 0.229 175 K C 0.143 176.725 176.600 -0.030 0.000 1.089 175 K CA -0.391 55.995 56.287 0.167 0.000 1.060 175 K CB -0.094 32.538 32.500 0.219 0.000 1.698 175 K HN 0.679 nan 8.250 nan 0.000 0.469 176 I N 0.415 120.866 120.570 -0.199 0.000 3.233 176 I HA 0.080 4.251 4.170 0.002 0.000 0.228 176 I C 0.297 176.329 176.117 -0.142 0.000 1.039 176 I CA 0.649 61.745 61.300 -0.340 0.000 1.455 176 I CB -0.130 37.558 38.000 -0.521 0.000 1.311 176 I HN 0.489 nan 8.210 nan 0.000 0.437 177 D N -0.120 120.218 120.400 -0.102 0.000 2.296 177 D HA 0.095 4.736 4.640 0.002 0.000 0.224 177 D C 0.461 176.749 176.300 -0.019 0.000 1.324 177 D CA -0.210 53.768 54.000 -0.037 0.000 0.940 177 D CB 0.563 41.350 40.800 -0.023 0.000 1.492 177 D HN -0.035 nan 8.370 nan 0.000 0.531 178 M N 1.557 121.157 119.600 -0.000 0.000 2.623 178 M HA 0.052 4.533 4.480 0.002 0.000 0.258 178 M C 1.154 177.462 176.300 0.014 0.000 1.067 178 M CA 0.837 56.147 55.300 0.017 0.000 1.068 178 M CB -0.738 31.888 32.600 0.043 0.000 1.409 178 M HN 0.526 nan 8.290 nan 0.000 0.504 179 A N -1.108 121.716 122.820 0.006 0.000 2.631 179 A HA 0.283 4.604 4.320 0.002 0.000 0.294 179 A C 0.690 178.272 177.584 -0.003 0.000 1.156 179 A CA -0.269 51.768 52.037 -0.001 0.000 0.963 179 A CB 0.112 19.110 19.000 -0.004 0.000 1.202 179 A HN 0.208 nan 8.150 nan 0.000 0.523 180 S N 1.117 116.823 115.700 0.010 0.000 2.580 180 S HA 0.379 4.850 4.470 0.002 0.000 0.274 180 S C -0.987 173.607 174.600 -0.010 0.000 1.329 180 S CA -1.152 57.064 58.200 0.028 0.000 1.036 180 S CB 0.790 64.044 63.200 0.089 0.000 0.919 180 S HN 0.352 nan 8.310 nan 0.000 0.515 181 P HA 0.003 nan 4.420 nan 0.000 0.223 181 P C -0.128 177.045 177.300 -0.213 0.000 1.151 181 P CA 0.629 63.611 63.100 -0.197 0.000 0.787 181 P CB -0.067 31.436 31.700 -0.328 0.000 0.788 182 F N 1.134 121.073 119.950 -0.018 0.000 2.494 182 F HA 0.089 4.617 4.527 0.002 0.000 0.351 182 F C 2.084 177.870 175.800 -0.023 0.000 1.205 182 F CA -0.422 57.568 58.000 -0.017 0.000 1.125 182 F CB -0.292 38.701 39.000 -0.012 0.000 1.268 182 F HN -0.237 nan 8.300 nan 0.000 0.593 183 I N 1.923 122.560 120.570 0.111 0.000 2.381 183 I HA -0.277 3.894 4.170 0.002 0.000 0.255 183 I C 2.363 178.519 176.117 0.065 0.000 1.140 183 I CA 1.151 62.488 61.300 0.061 0.000 1.404 183 I CB -1.014 37.006 38.000 0.033 0.000 1.075 183 I HN 0.446 nan 8.210 nan 0.000 0.433 184 V N 1.064 121.036 119.914 0.097 0.000 2.407 184 V HA -0.218 3.903 4.120 0.002 0.000 0.248 184 V C 2.329 178.427 176.094 0.007 0.000 1.055 184 V CA 1.403 63.737 62.300 0.057 0.000 1.049 184 V CB -0.168 31.696 31.823 0.067 0.000 0.662 184 V HN 0.262 nan 8.190 nan 0.000 0.455 185 M N 0.013 119.624 119.600 0.019 0.000 2.659 185 M HA 0.133 4.614 4.480 0.002 0.000 0.243 185 M C 0.892 177.137 176.300 -0.090 0.000 1.111 185 M CA 0.541 55.791 55.300 -0.083 0.000 1.070 185 M CB -0.898 31.670 32.600 -0.053 0.000 1.525 185 M HN 0.248 nan 8.290 nan 0.000 0.517 186 R N 2.286 122.769 120.500 -0.029 0.000 3.641 186 R HA 0.061 4.402 4.340 0.002 0.000 0.189 186 R C -0.670 175.608 176.300 -0.036 0.000 1.706 186 R CA -0.042 56.046 56.100 -0.019 0.000 1.311 186 R CB -1.192 29.115 30.300 0.012 0.000 1.330 186 R HN 0.184 nan 8.270 nan 0.000 0.727 187 D N 1.497 121.845 120.400 -0.086 0.000 2.803 187 D HA -0.113 4.528 4.640 0.002 0.000 0.233 187 D C -2.207 174.027 176.300 -0.110 0.000 1.182 187 D CA 0.592 54.536 54.000 -0.093 0.000 0.726 187 D CB -0.303 40.509 40.800 0.019 0.000 0.987 187 D HN 0.359 nan 8.370 nan 0.000 0.412 188 P HA 0.000 nan 4.420 nan 0.000 0.268 188 P C 0.207 177.437 177.300 -0.117 0.000 1.205 188 P CA -0.364 62.681 63.100 -0.090 0.000 0.771 188 P CB 0.857 32.514 31.700 -0.072 0.000 0.858 189 V N 4.242 124.100 119.914 -0.093 0.000 2.637 189 V HA -0.060 4.062 4.120 0.002 0.000 0.296 189 V C 1.763 177.781 176.094 -0.127 0.000 1.046 189 V CA 0.267 62.494 62.300 -0.121 0.000 1.066 189 V CB 0.420 32.198 31.823 -0.076 0.000 0.968 189 V HN 0.475 nan 8.190 nan 0.000 0.483 190 L N 3.948 125.050 121.223 -0.201 0.000 2.269 190 L HA 0.347 4.689 4.340 0.002 0.000 0.200 190 L C 0.118 176.809 176.870 -0.299 0.000 1.069 190 L CA 1.205 55.845 54.840 -0.334 0.000 0.804 190 L CB -0.211 41.496 42.059 -0.586 0.000 0.987 190 L HN 0.577 nan 8.230 nan 0.000 0.468 191 Y N -0.914 119.277 120.300 -0.182 0.000 2.602 191 Y HA 0.610 5.162 4.550 0.002 0.000 0.342 191 Y C -0.363 175.528 175.900 -0.016 0.000 1.029 191 Y CA -1.090 56.982 58.100 -0.047 0.000 1.080 191 Y CB 1.585 40.109 38.460 0.107 0.000 1.284 191 Y HN 0.004 nan 8.280 nan 0.000 0.485 192 R N 0.188 120.783 120.500 0.158 0.000 2.663 192 R HA 0.598 4.939 4.340 0.002 0.000 0.267 192 R C -2.271 174.083 176.300 0.090 0.000 1.038 192 R CA -0.756 55.403 56.100 0.098 0.000 0.886 192 R CB 0.659 30.991 30.300 0.053 0.000 1.249 192 R HN 0.477 nan 8.270 nan 0.000 0.463 193 I N 1.755 122.344 120.570 0.031 0.000 2.416 193 I HA 0.325 4.497 4.170 0.002 0.000 0.288 193 I C -0.205 175.854 176.117 -0.096 0.000 1.051 193 I CA 0.054 61.298 61.300 -0.094 0.000 1.375 193 I CB 0.852 38.786 38.000 -0.108 0.000 1.407 193 I HN 0.430 nan 8.210 nan 0.000 0.516 194 K N 6.697 127.008 120.400 -0.149 0.000 2.656 194 K HA 0.304 4.625 4.320 0.002 0.000 0.253 194 K C -1.324 175.265 176.600 -0.019 0.000 1.002 194 K CA -0.498 55.795 56.287 0.011 0.000 0.880 194 K CB 1.384 34.000 32.500 0.193 0.000 1.232 194 K HN 0.305 nan 8.250 nan 0.000 0.456 195 F N 2.296 122.370 119.950 0.207 0.000 2.626 195 F HA 0.320 4.848 4.527 0.002 0.000 0.353 195 F C 0.550 176.453 175.800 0.171 0.000 1.230 195 F CA -0.462 57.648 58.000 0.184 0.000 1.298 195 F CB 0.664 39.735 39.000 0.118 0.000 1.670 195 F HN 0.360 nan 8.300 nan 0.000 0.633 196 A N 1.242 124.249 122.820 0.311 0.000 2.381 196 A HA 0.410 4.731 4.320 0.002 0.000 0.299 196 A C -0.364 177.364 177.584 0.241 0.000 1.049 196 A CA -0.830 51.337 52.037 0.217 0.000 0.715 196 A CB 0.756 19.830 19.000 0.123 0.000 1.222 196 A HN 0.452 nan 8.150 nan 0.000 0.428 197 E N 2.419 122.741 120.200 0.203 0.000 2.585 197 E HA -0.057 4.294 4.350 0.002 0.000 0.252 197 E C -0.420 176.310 176.600 0.217 0.000 0.981 197 E CA 0.141 56.668 56.400 0.212 0.000 0.943 197 E CB 0.237 30.021 29.700 0.140 0.000 0.923 197 E HN 0.685 nan 8.360 nan 0.000 0.486 198 H N 3.924 123.118 119.070 0.206 0.000 2.548 198 H HA 0.019 4.576 4.556 0.002 0.000 0.331 198 H C 0.637 176.007 175.328 0.070 0.000 1.093 198 H CA -0.054 56.087 56.048 0.157 0.000 1.367 198 H CB 0.777 30.721 29.762 0.304 0.000 1.455 198 H HN 0.796 nan 8.280 nan 0.000 0.519 199 H N 1.967 120.888 119.070 -0.249 0.000 2.566 199 H HA -0.059 4.498 4.556 0.002 0.000 0.285 199 H C 0.498 175.830 175.328 0.008 0.000 1.041 199 H CA 1.124 57.098 56.048 -0.123 0.000 1.207 199 H CB 0.415 30.041 29.762 -0.227 0.000 1.353 199 H HN 0.491 nan 8.280 nan 0.000 0.604 200 Q N -0.094 119.714 119.800 0.013 0.000 2.384 200 Q HA 0.070 4.411 4.340 0.002 0.000 0.264 200 Q C 1.518 177.510 176.000 -0.013 0.000 0.825 200 Q CA 1.284 57.036 55.803 -0.084 0.000 0.984 200 Q CB 0.784 29.351 28.738 -0.285 0.000 1.183 200 Q HN 0.687 nan 8.270 nan 0.000 0.537 201 T N -2.456 112.172 114.554 0.123 0.000 3.054 201 T HA 0.426 4.777 4.350 0.002 0.000 0.255 201 T C 1.191 175.982 174.700 0.151 0.000 1.035 201 T CA 0.661 62.831 62.100 0.115 0.000 0.941 201 T CB 0.655 69.678 68.868 0.257 0.000 1.026 201 T HN 0.357 nan 8.240 nan 0.000 0.533 202 G N 2.882 111.791 108.800 0.182 0.000 2.622 202 G HA2 -0.348 3.613 3.960 0.002 0.000 0.307 202 G HA3 -0.348 3.613 3.960 0.002 0.000 0.307 202 G C 0.407 175.430 174.900 0.205 0.000 1.226 202 G CA 0.338 45.531 45.100 0.154 0.000 0.997 202 G HN 0.500 nan 8.290 nan 0.000 0.551 203 N N 1.139 119.917 118.700 0.131 0.000 2.320 203 N HA 0.104 4.845 4.740 0.002 0.000 0.237 203 N C 1.581 177.117 175.510 0.042 0.000 1.129 203 N CA 0.423 53.552 53.050 0.132 0.000 0.854 203 N CB 0.767 39.316 38.487 0.103 0.000 1.083 203 N HN 0.610 nan 8.380 nan 0.000 0.504 204 K N -0.424 119.964 120.400 -0.020 0.000 2.365 204 K HA -0.026 4.295 4.320 0.002 0.000 0.199 204 K C -0.403 175.923 176.600 -0.458 0.000 1.045 204 K CA 0.684 56.802 56.287 -0.282 0.000 0.962 204 K CB 0.333 32.610 32.500 -0.371 0.000 0.759 204 K HN 0.101 nan 8.250 nan 0.000 0.469 205 W N -0.817 120.460 121.300 -0.038 0.000 2.656 205 W HA 0.205 4.866 4.660 0.002 0.000 0.327 205 W C 0.725 177.093 176.519 -0.252 0.000 1.041 205 W CA -1.378 55.825 57.345 -0.237 0.000 1.229 205 W CB 1.396 30.593 29.460 -0.439 0.000 1.397 205 W HN 0.041 nan 8.180 nan 0.000 0.479 206 C N 1.535 120.817 119.300 -0.030 0.000 2.935 206 C HA 0.460 4.921 4.460 0.002 0.000 0.308 206 C C 0.671 175.483 174.990 -0.296 0.000 1.263 206 C CA -0.182 58.751 59.018 -0.143 0.000 1.738 206 C CB -1.160 26.502 27.740 -0.130 0.000 2.237 206 C HN 0.461 nan 8.230 nan 0.000 0.600 207 I N -0.843 119.536 120.570 -0.320 0.000 2.406 207 I HA 0.715 4.886 4.170 0.002 0.000 0.290 207 I C -1.342 174.490 176.117 -0.475 0.000 0.999 207 I CA -0.718 60.446 61.300 -0.226 0.000 1.124 207 I CB 0.927 38.878 38.000 -0.082 0.000 1.289 207 I HN 0.043 nan 8.210 nan 0.000 0.441 208 Y N 6.022 126.289 120.300 -0.055 0.000 2.457 208 Y HA 0.652 5.203 4.550 0.002 0.000 0.333 208 Y C -2.339 173.201 175.900 -0.600 0.000 1.119 208 Y CA -2.434 55.463 58.100 -0.339 0.000 1.143 208 Y CB 1.665 40.016 38.460 -0.181 0.000 1.230 208 Y HN 0.449 nan 8.280 nan 0.000 0.469 209 P HA 0.214 nan 4.420 nan 0.000 0.282 209 P C -0.770 176.374 177.300 -0.259 0.000 1.259 209 P CA -0.400 62.118 63.100 -0.969 0.000 0.826 209 P CB 1.197 32.483 31.700 -0.689 0.000 1.064 210 M N 1.652 121.167 119.600 -0.142 0.000 2.247 210 M HA 0.107 4.588 4.480 0.002 0.000 0.326 210 M C 1.586 177.971 176.300 0.141 0.000 1.134 210 M CA -0.474 54.850 55.300 0.041 0.000 1.136 210 M CB -0.124 32.498 32.600 0.037 0.000 1.454 210 M HN 0.492 nan 8.290 nan 0.000 0.467 211 Y N 2.231 122.588 120.300 0.095 0.000 2.070 211 Y HA -0.284 4.267 4.550 0.002 0.000 0.280 211 Y C 1.631 177.610 175.900 0.132 0.000 1.148 211 Y CA 2.323 60.497 58.100 0.124 0.000 1.125 211 Y CB -0.197 38.345 38.460 0.136 0.000 0.975 211 Y HN 0.688 nan 8.280 nan 0.000 0.492 212 D N -0.161 120.149 120.400 -0.151 0.000 2.149 212 D HA -0.240 4.401 4.640 0.002 0.000 0.194 212 D C 2.010 178.219 176.300 -0.153 0.000 1.001 212 D CA 1.862 55.705 54.000 -0.260 0.000 0.849 212 D CB -0.610 40.218 40.800 0.047 0.000 0.939 212 D HN 0.419 nan 8.370 nan 0.000 0.449 213 F N 1.869 121.717 119.950 -0.170 0.000 2.039 213 F HA -0.181 4.347 4.527 0.002 0.000 0.294 213 F C 2.548 178.232 175.800 -0.194 0.000 1.130 213 F CA 1.474 59.384 58.000 -0.151 0.000 1.189 213 F CB -0.861 38.073 39.000 -0.111 0.000 0.983 213 F HN -0.155 nan 8.300 nan 0.000 0.471 214 T N -1.084 113.367 114.554 -0.172 0.000 2.653 214 T HA -0.339 4.012 4.350 0.002 0.000 0.268 214 T C 1.802 176.335 174.700 -0.279 0.000 1.035 214 T CA 2.196 64.174 62.100 -0.203 0.000 1.154 214 T CB -0.827 68.052 68.868 0.018 0.000 0.862 214 T HN 0.501 nan 8.240 nan 0.000 0.441 215 H N 0.045 118.870 119.070 -0.408 0.000 2.321 215 H HA -0.117 4.440 4.556 0.002 0.000 0.300 215 H C 2.625 177.667 175.328 -0.478 0.000 1.087 215 H CA 1.979 57.777 56.048 -0.417 0.000 1.319 215 H CB -0.315 29.069 29.762 -0.630 0.000 1.379 215 H HN 0.624 nan 8.280 nan 0.000 0.501 216 C N -0.456 118.541 119.300 -0.505 0.000 2.446 216 C HA -0.009 4.452 4.460 0.002 0.000 0.277 216 C C 2.596 177.132 174.990 -0.756 0.000 1.275 216 C CA 0.422 58.847 59.018 -0.987 0.000 1.727 216 C CB -1.172 25.757 27.740 -1.352 0.000 2.010 216 C HN 0.559 nan 8.230 nan 0.000 0.486 217 I N 2.220 122.376 120.570 -0.690 0.000 2.142 217 I HA -0.185 3.986 4.170 0.002 0.000 0.240 217 I C 2.912 178.671 176.117 -0.596 0.000 1.078 217 I CA 2.007 62.908 61.300 -0.665 0.000 1.343 217 I CB -0.574 36.985 38.000 -0.735 0.000 1.046 217 I HN 0.343 nan 8.210 nan 0.000 0.405 218 S N 0.570 115.920 115.700 -0.584 0.000 2.368 218 S HA -0.263 4.209 4.470 0.002 0.000 0.226 218 S C 1.675 175.931 174.600 -0.574 0.000 1.044 218 S CA 1.831 59.606 58.200 -0.708 0.000 1.062 218 S CB -0.497 62.438 63.200 -0.442 0.000 0.931 218 S HN 0.431 nan 8.310 nan 0.000 0.440 219 D N 1.486 121.614 120.400 -0.453 0.000 2.126 219 D HA -0.118 4.523 4.640 0.002 0.000 0.190 219 D C 2.195 178.305 176.300 -0.316 0.000 1.001 219 D CA 1.526 55.331 54.000 -0.325 0.000 0.841 219 D CB -0.648 40.056 40.800 -0.160 0.000 0.949 219 D HN 0.380 nan 8.370 nan 0.000 0.446 220 A N 0.724 123.334 122.820 -0.350 0.000 1.851 220 A HA -0.153 4.168 4.320 0.002 0.000 0.216 220 A C 2.442 179.855 177.584 -0.285 0.000 1.195 220 A CA 1.212 53.068 52.037 -0.303 0.000 0.622 220 A CB -1.028 17.749 19.000 -0.373 0.000 0.831 220 A HN 0.275 nan 8.150 nan 0.000 0.444 221 L N -0.723 120.284 121.223 -0.360 0.000 2.349 221 L HA -0.190 4.151 4.340 0.002 0.000 0.220 221 L C 2.327 179.035 176.870 -0.269 0.000 1.130 221 L CA 1.248 55.903 54.840 -0.309 0.000 0.791 221 L CB -0.397 41.405 42.059 -0.428 0.000 0.918 221 L HN 0.535 nan 8.230 nan 0.000 0.444 222 E N -0.707 119.305 120.200 -0.312 0.000 2.276 222 E HA 0.051 4.402 4.350 0.002 0.000 0.193 222 E C 1.295 177.742 176.600 -0.255 0.000 0.983 222 E CA 0.544 56.800 56.400 -0.240 0.000 0.861 222 E CB 0.416 29.954 29.700 -0.270 0.000 0.817 222 E HN 0.471 nan 8.360 nan 0.000 0.485 223 G N 1.584 110.236 108.800 -0.247 0.000 2.131 223 G HA2 -0.181 3.780 3.960 0.002 0.000 0.201 223 G HA3 -0.181 3.780 3.960 0.002 0.000 0.201 223 G C 0.120 174.863 174.900 -0.262 0.000 1.000 223 G CA -0.419 44.569 45.100 -0.188 0.000 0.680 223 G HN 0.071 nan 8.290 nan 0.000 0.514 224 I N 2.008 122.392 120.570 -0.311 0.000 2.683 224 I HA 0.139 4.310 4.170 0.002 0.000 0.286 224 I C 2.038 178.055 176.117 -0.166 0.000 1.175 224 I CA 1.424 62.568 61.300 -0.259 0.000 1.429 224 I CB 0.737 38.613 38.000 -0.206 0.000 1.371 224 I HN 0.383 nan 8.210 nan 0.000 0.569 225 T N 2.566 117.018 114.554 -0.170 0.000 3.037 225 T HA 0.120 4.471 4.350 0.002 0.000 0.252 225 T C 0.568 174.846 174.700 -0.703 0.000 1.073 225 T CA 0.501 62.334 62.100 -0.446 0.000 1.091 225 T CB 0.095 68.617 68.868 -0.577 0.000 0.935 225 T HN 0.590 nan 8.240 nan 0.000 0.488 226 H N 0.862 119.869 119.070 -0.105 0.000 3.059 226 H HA 0.387 4.945 4.556 0.002 0.000 0.302 226 H C -1.114 174.191 175.328 -0.038 0.000 1.264 226 H CA -0.700 55.322 56.048 -0.044 0.000 1.615 226 H CB 1.253 31.035 29.762 0.033 0.000 1.795 226 H HN 0.159 nan 8.280 nan 0.000 0.556 227 S N 4.206 119.898 115.700 -0.014 0.000 2.466 227 S HA 0.202 4.673 4.470 0.002 0.000 0.286 227 S C 0.281 174.903 174.600 0.038 0.000 1.221 227 S CA -0.551 57.663 58.200 0.023 0.000 1.091 227 S CB -0.273 62.931 63.200 0.007 0.000 0.956 227 S HN 0.396 nan 8.310 nan 0.000 0.501 228 L N 6.108 127.405 121.223 0.123 0.000 2.287 228 L HA 0.559 4.901 4.340 0.002 0.000 0.287 228 L C -0.287 176.729 176.870 0.243 0.000 1.022 228 L CA -0.793 54.181 54.840 0.223 0.000 0.814 228 L CB 0.904 43.114 42.059 0.252 0.000 1.217 228 L HN 0.678 nan 8.230 nan 0.000 0.420 229 C N 0.090 119.474 119.300 0.140 0.000 3.336 229 C HA 0.646 5.107 4.460 0.002 0.000 0.352 229 C C 0.575 175.295 174.990 -0.450 0.000 1.567 229 C CA -0.684 58.289 59.018 -0.075 0.000 1.328 229 C CB 2.233 29.860 27.740 -0.188 0.000 1.922 229 C HN 0.813 nan 8.230 nan 0.000 0.439 230 T N 0.576 114.933 114.554 -0.328 0.000 2.899 230 T HA 0.345 4.696 4.350 0.002 0.000 0.284 230 T C 1.107 175.745 174.700 -0.103 0.000 1.004 230 T CA -0.539 61.305 62.100 -0.426 0.000 1.043 230 T CB 0.353 69.105 68.868 -0.193 0.000 1.013 230 T HN 0.361 nan 8.240 nan 0.000 0.518 231 L N 0.908 122.044 121.223 -0.144 0.000 2.137 231 L HA -0.134 4.207 4.340 0.002 0.000 0.213 231 L C 2.481 179.295 176.870 -0.094 0.000 1.085 231 L CA 1.699 56.498 54.840 -0.069 0.000 0.760 231 L CB -2.120 39.905 42.059 -0.057 0.000 0.893 231 L HN 0.745 nan 8.230 nan 0.000 0.434 232 E N -0.304 119.773 120.200 -0.206 0.000 2.147 232 E HA -0.238 4.113 4.350 0.002 0.000 0.199 232 E C 1.669 178.018 176.600 -0.419 0.000 1.005 232 E CA 1.359 57.533 56.400 -0.378 0.000 0.810 232 E CB -0.591 28.733 29.700 -0.627 0.000 0.736 232 E HN 0.449 nan 8.360 nan 0.000 0.460 233 F N 1.412 121.322 119.950 -0.066 0.000 2.716 233 F HA 0.062 4.590 4.527 0.002 0.000 0.301 233 F C 1.760 177.542 175.800 -0.031 0.000 1.210 233 F CA 0.323 58.303 58.000 -0.035 0.000 1.422 233 F CB -0.362 38.611 39.000 -0.046 0.000 1.073 233 F HN 0.005 nan 8.300 nan 0.000 0.525 234 Q N 0.157 119.994 119.800 0.062 0.000 2.096 234 Q HA -0.137 4.204 4.340 0.002 0.000 0.197 234 Q C 1.665 177.698 176.000 0.055 0.000 0.964 234 Q CA 1.292 57.129 55.803 0.056 0.000 0.838 234 Q CB -0.069 28.696 28.738 0.044 0.000 0.906 234 Q HN 0.439 nan 8.270 nan 0.000 0.444 235 D N 0.968 121.409 120.400 0.068 0.000 2.097 235 D HA -0.147 4.494 4.640 0.002 0.000 0.195 235 D C 1.416 177.733 176.300 0.029 0.000 0.989 235 D CA 0.880 54.943 54.000 0.105 0.000 0.827 235 D CB -0.355 40.525 40.800 0.134 0.000 0.966 235 D HN 0.284 nan 8.370 nan 0.000 0.456 236 N N 1.099 119.847 118.700 0.079 0.000 2.417 236 N HA -0.175 4.566 4.740 0.002 0.000 0.187 236 N C 1.825 177.388 175.510 0.088 0.000 1.027 236 N CA 0.291 53.417 53.050 0.127 0.000 0.891 236 N CB -0.090 38.576 38.487 0.297 0.000 0.956 236 N HN 0.232 nan 8.380 nan 0.000 0.442 237 R N 1.155 121.667 120.500 0.020 0.000 2.120 237 R HA -0.043 4.298 4.340 0.002 0.000 0.234 237 R C 1.898 178.182 176.300 -0.027 0.000 1.123 237 R CA 0.952 57.030 56.100 -0.037 0.000 0.975 237 R CB 0.134 30.378 30.300 -0.093 0.000 0.866 237 R HN -0.028 nan 8.270 nan 0.000 0.446 238 R N 0.309 120.721 120.500 -0.148 0.000 2.083 238 R HA -0.144 4.197 4.340 0.002 0.000 0.237 238 R C 1.996 178.280 176.300 -0.027 0.000 1.137 238 R CA 1.207 57.164 56.100 -0.237 0.000 0.951 238 R CB -0.770 29.142 30.300 -0.647 0.000 0.851 238 R HN 0.209 nan 8.270 nan 0.000 0.434 239 L N -0.443 120.794 121.223 0.024 0.000 2.395 239 L HA 0.000 4.341 4.340 0.002 0.000 0.218 239 L C 1.750 178.732 176.870 0.188 0.000 1.130 239 L CA 1.279 56.197 54.840 0.131 0.000 0.826 239 L CB -0.470 41.637 42.059 0.080 0.000 0.941 239 L HN 0.202 nan 8.230 nan 0.000 0.451 240 Y N 0.219 120.522 120.300 0.004 0.000 2.163 240 Y HA -0.191 4.360 4.550 0.002 0.000 0.288 240 Y C 2.077 177.954 175.900 -0.038 0.000 1.136 240 Y CA 2.024 60.095 58.100 -0.048 0.000 1.147 240 Y CB -0.176 38.244 38.460 -0.067 0.000 0.987 240 Y HN 0.271 nan 8.280 nan 0.000 0.509 241 D N -0.812 119.798 120.400 0.351 0.000 2.149 241 D HA -0.190 4.451 4.640 0.002 0.000 0.201 241 D C 1.769 178.150 176.300 0.134 0.000 0.972 241 D CA 1.212 55.393 54.000 0.301 0.000 0.835 241 D CB -0.904 40.072 40.800 0.292 0.000 0.966 241 D HN 0.553 nan 8.370 nan 0.000 0.476 242 W N 1.834 123.133 121.300 -0.002 0.000 2.332 242 W HA -0.265 4.396 4.660 0.002 0.000 0.321 242 W C 2.170 178.650 176.519 -0.065 0.000 1.219 242 W CA 1.629 58.960 57.345 -0.024 0.000 1.277 242 W CB -0.606 28.841 29.460 -0.021 0.000 1.161 242 W HN -0.224 nan 8.180 nan 0.000 0.476 243 V N 1.413 121.329 119.914 0.003 0.000 2.252 243 V HA -0.380 3.742 4.120 0.002 0.000 0.249 243 V C 2.397 178.208 176.094 -0.472 0.000 1.056 243 V CA 2.304 64.448 62.300 -0.261 0.000 1.022 243 V CB -1.321 30.476 31.823 -0.044 0.000 0.641 243 V HN 0.305 nan 8.190 nan 0.000 0.445 244 L N -0.315 120.620 121.223 -0.479 0.000 2.046 244 L HA -0.166 4.175 4.340 0.002 0.000 0.208 244 L C 2.096 178.676 176.870 -0.483 0.000 1.077 244 L CA 1.439 55.913 54.840 -0.611 0.000 0.747 244 L CB -0.666 40.826 42.059 -0.946 0.000 0.896 244 L HN 0.321 nan 8.230 nan 0.000 0.432 245 D N -0.042 120.141 120.400 -0.361 0.000 2.378 245 D HA -0.059 4.583 4.640 0.002 0.000 0.227 245 D C 0.615 176.709 176.300 -0.345 0.000 1.012 245 D CA 0.685 54.548 54.000 -0.228 0.000 0.905 245 D CB -0.015 40.735 40.800 -0.084 0.000 0.895 245 D HN 0.291 nan 8.370 nan 0.000 0.532 246 N N 0.344 118.739 118.700 -0.509 0.000 2.536 246 N HA 0.177 4.918 4.740 0.002 0.000 0.286 246 N C -0.347 174.945 175.510 -0.363 0.000 1.577 246 N CA -0.046 52.699 53.050 -0.509 0.000 0.883 246 N CB 1.432 39.382 38.487 -0.895 0.000 1.390 246 N HN 0.238 nan 8.380 nan 0.000 0.491 247 I N -3.595 116.809 120.570 -0.277 0.000 2.908 247 I HA 0.374 4.546 4.170 0.002 0.000 0.300 247 I C -0.646 175.411 176.117 -0.101 0.000 1.385 247 I CA -0.777 60.430 61.300 -0.156 0.000 1.004 247 I CB 1.866 39.696 38.000 -0.284 0.000 1.309 247 I HN -0.312 nan 8.210 nan 0.000 0.449 248 T N 5.490 120.079 114.554 0.059 0.000 3.182 248 T HA 0.482 4.833 4.350 0.002 0.000 0.274 248 T C -0.288 174.461 174.700 0.081 0.000 0.997 248 T CA 0.336 62.466 62.100 0.051 0.000 1.082 248 T CB -0.756 68.149 68.868 0.062 0.000 1.005 248 T HN 0.430 nan 8.240 nan 0.000 0.688 249 I N 4.623 125.160 120.570 -0.055 0.000 2.569 249 I HA 0.325 4.496 4.170 0.002 0.000 0.290 249 I C -1.547 174.515 176.117 -0.092 0.000 1.088 249 I CA -2.543 58.701 61.300 -0.094 0.000 1.047 249 I CB 3.018 40.836 38.000 -0.303 0.000 1.237 249 I HN 0.244 nan 8.210 nan 0.000 0.421 250 P HA 0.020 nan 4.420 nan 0.000 0.237 250 P C -0.171 177.109 177.300 -0.033 0.000 1.178 250 P CA 0.651 63.728 63.100 -0.038 0.000 0.766 250 P CB 0.005 31.693 31.700 -0.020 0.000 0.876 251 V N -3.466 116.416 119.914 -0.054 0.000 3.160 251 V HA 0.564 4.685 4.120 0.002 0.000 0.310 251 V C -1.125 174.971 176.094 0.004 0.000 1.181 251 V CA -1.178 61.113 62.300 -0.014 0.000 1.047 251 V CB 2.408 34.219 31.823 -0.020 0.000 1.068 251 V HN 0.068 nan 8.190 nan 0.000 0.441 252 H N 1.362 120.396 119.070 -0.060 0.000 2.852 252 H HA 0.530 5.087 4.556 0.002 0.000 0.274 252 H C -2.920 172.403 175.328 -0.008 0.000 1.321 252 H CA -1.703 54.315 56.048 -0.050 0.000 1.582 252 H CB 1.818 31.550 29.762 -0.050 0.000 1.699 252 H HN 0.704 nan 8.280 nan 0.000 0.546 253 P HA 0.032 nan 4.420 nan 0.000 0.267 253 P C -0.316 177.035 177.300 0.086 0.000 1.209 253 P CA -0.218 62.938 63.100 0.094 0.000 0.763 253 P CB 0.594 32.334 31.700 0.066 0.000 0.816 254 R N 2.390 122.804 120.500 -0.143 0.000 2.490 254 R HA 0.274 4.616 4.340 0.002 0.000 0.278 254 R C 0.318 176.240 176.300 -0.629 0.000 1.069 254 R CA -0.335 55.552 56.100 -0.354 0.000 1.080 254 R CB 0.570 30.687 30.300 -0.306 0.000 1.030 254 R HN 0.579 nan 8.270 nan 0.000 0.491 255 Q N 1.740 121.059 119.800 -0.801 0.000 2.309 255 Q HA 0.389 4.730 4.340 0.002 0.000 0.264 255 Q C -1.606 173.917 176.000 -0.796 0.000 1.008 255 Q CA -0.604 54.755 55.803 -0.740 0.000 0.853 255 Q CB 1.245 29.558 28.738 -0.708 0.000 1.314 255 Q HN 0.439 nan 8.270 nan 0.000 0.448 256 Y N 1.181 121.496 120.300 0.025 0.000 2.406 256 Y HA 0.384 4.935 4.550 0.002 0.000 0.340 256 Y C -0.740 175.262 175.900 0.170 0.000 0.975 256 Y CA -0.990 57.183 58.100 0.121 0.000 1.056 256 Y CB 2.058 40.600 38.460 0.136 0.000 1.210 256 Y HN 0.634 nan 8.280 nan 0.000 0.448 257 E N 2.961 123.363 120.200 0.336 0.000 2.232 257 E HA 0.749 5.100 4.350 0.002 0.000 0.264 257 E C -1.216 175.624 176.600 0.400 0.000 0.973 257 E CA -0.667 55.862 56.400 0.216 0.000 0.849 257 E CB 1.768 31.517 29.700 0.082 0.000 1.198 257 E HN 0.401 nan 8.360 nan 0.000 0.407 258 F N -2.307 117.800 119.950 0.263 0.000 2.711 258 F HA 0.594 5.123 4.527 0.003 0.000 0.313 258 F C -0.553 175.345 175.800 0.163 0.000 1.141 258 F CA -1.451 56.717 58.000 0.279 0.000 0.941 258 F CB 0.624 39.808 39.000 0.307 0.000 1.349 258 F HN 0.325 nan 8.300 nan 0.000 0.464 259 S N 1.027 116.916 115.700 0.315 0.000 2.572 259 S HA 0.421 4.892 4.470 0.002 0.000 0.279 259 S C -0.262 174.472 174.600 0.224 0.000 1.341 259 S CA -0.915 57.388 58.200 0.172 0.000 1.043 259 S CB 0.440 63.736 63.200 0.161 0.000 0.887 259 S HN 0.935 nan 8.310 nan 0.000 0.516 260 R N 1.235 121.790 120.500 0.092 0.000 2.486 260 R HA 0.591 4.932 4.340 0.002 0.000 0.286 260 R C -0.499 175.872 176.300 0.118 0.000 0.999 260 R CA -1.102 55.075 56.100 0.128 0.000 0.993 260 R CB 0.353 30.689 30.300 0.058 0.000 1.084 260 R HN 0.533 nan 8.270 nan 0.000 0.487 261 L N 2.104 123.411 121.223 0.141 0.000 2.455 261 L HA 0.182 4.523 4.340 0.002 0.000 0.272 261 L C -0.923 175.992 176.870 0.075 0.000 1.174 261 L CA 0.515 55.416 54.840 0.102 0.000 0.869 261 L CB 0.181 42.316 42.059 0.126 0.000 1.130 261 L HN 0.646 nan 8.230 nan 0.000 0.474 262 N N 5.544 124.280 118.700 0.060 0.000 2.352 262 N HA 0.451 5.192 4.740 0.002 0.000 0.291 262 N C -1.451 174.094 175.510 0.059 0.000 1.040 262 N CA -0.410 52.658 53.050 0.029 0.000 0.864 262 N CB 2.196 40.682 38.487 -0.000 0.000 1.440 262 N HN 0.612 nan 8.380 nan 0.000 0.483 263 L N 1.269 122.524 121.223 0.054 0.000 2.346 263 L HA 0.391 4.732 4.340 0.002 0.000 0.274 263 L C 0.424 177.322 176.870 0.046 0.000 1.007 263 L CA -0.695 54.198 54.840 0.088 0.000 0.818 263 L CB 1.908 44.032 42.059 0.108 0.000 1.284 263 L HN 0.344 nan 8.230 nan 0.000 0.424 264 E N 2.603 122.833 120.200 0.050 0.000 2.384 264 E HA 0.034 4.385 4.350 0.002 0.000 0.266 264 E C -1.003 175.656 176.600 0.098 0.000 1.012 264 E CA 0.260 56.631 56.400 -0.049 0.000 0.901 264 E CB 0.330 29.977 29.700 -0.088 0.000 0.967 264 E HN 0.454 nan 8.360 nan 0.000 0.435 265 Y N -0.793 119.552 120.300 0.075 0.000 4.366 265 Y HA -0.263 4.288 4.550 0.002 0.000 0.236 265 Y C 0.085 176.122 175.900 0.228 0.000 1.142 265 Y CA 1.093 59.276 58.100 0.138 0.000 2.024 265 Y CB -1.772 36.758 38.460 0.116 0.000 1.621 265 Y HN 0.469 nan 8.280 nan 0.000 0.694 266 T N -0.466 114.241 114.554 0.255 0.000 3.393 266 T HA 0.572 4.924 4.350 0.002 0.000 0.359 266 T C -0.340 174.402 174.700 0.070 0.000 1.380 266 T CA -0.318 61.959 62.100 0.295 0.000 1.132 266 T CB 0.379 69.380 68.868 0.222 0.000 1.284 266 T HN 0.661 nan 8.240 nan 0.000 0.477 267 V N 3.738 123.664 119.914 0.019 0.000 3.319 267 V HA 0.699 4.820 4.120 0.002 0.000 0.303 267 V C 0.805 176.820 176.094 -0.132 0.000 1.094 267 V CA -0.185 62.017 62.300 -0.163 0.000 1.106 267 V CB 0.959 32.596 31.823 -0.310 0.000 1.099 267 V HN 1.029 nan 8.190 nan 0.000 0.476 268 M N 1.280 120.738 119.600 -0.237 0.000 2.346 268 M HA 0.272 4.753 4.480 0.002 0.000 0.417 268 M C 0.379 176.386 176.300 -0.488 0.000 1.015 268 M CA 0.230 55.286 55.300 -0.407 0.000 0.968 268 M CB 0.403 32.772 32.600 -0.385 0.000 1.859 268 M HN 0.981 nan 8.290 nan 0.000 0.623 269 S N -0.104 115.438 115.700 -0.264 0.000 2.505 269 S HA 0.237 4.708 4.470 0.002 0.000 0.276 269 S C 0.889 175.476 174.600 -0.022 0.000 1.274 269 S CA -0.545 57.571 58.200 -0.140 0.000 1.053 269 S CB 1.129 64.240 63.200 -0.148 0.000 0.919 269 S HN 0.392 nan 8.310 nan 0.000 0.490 270 K N 1.292 121.767 120.400 0.125 0.000 2.444 270 K HA -0.170 4.151 4.320 0.002 0.000 0.200 270 K C 2.126 178.874 176.600 0.248 0.000 1.045 270 K CA 0.925 57.379 56.287 0.279 0.000 0.934 270 K CB -0.064 32.593 32.500 0.262 0.000 0.756 270 K HN 0.713 nan 8.250 nan 0.000 0.477 271 R N 0.893 121.459 120.500 0.110 0.000 2.055 271 R HA -0.031 4.311 4.340 0.002 0.000 0.221 271 R C 1.707 178.038 176.300 0.051 0.000 1.154 271 R CA 0.892 57.045 56.100 0.089 0.000 0.975 271 R CB 0.066 30.388 30.300 0.037 0.000 0.869 271 R HN -0.020 nan 8.270 nan 0.000 0.437 272 K N 0.737 121.097 120.400 -0.066 0.000 2.097 272 K HA -0.107 4.215 4.320 0.002 0.000 0.206 272 K C 2.208 178.876 176.600 0.115 0.000 1.049 272 K CA 1.312 57.532 56.287 -0.112 0.000 0.933 272 K CB -0.134 31.898 32.500 -0.779 0.000 0.717 272 K HN 0.212 nan 8.250 nan 0.000 0.442 273 L N 1.076 122.307 121.223 0.014 0.000 2.017 273 L HA -0.224 4.117 4.340 0.002 0.000 0.208 273 L C 2.330 179.002 176.870 -0.331 0.000 1.073 273 L CA 1.128 55.934 54.840 -0.056 0.000 0.745 273 L CB -0.589 41.490 42.059 0.033 0.000 0.894 273 L HN 0.236 nan 8.230 nan 0.000 0.432 274 N N 0.497 119.039 118.700 -0.262 0.000 2.205 274 N HA -0.230 4.511 4.740 0.002 0.000 0.186 274 N C 1.680 177.088 175.510 -0.171 0.000 1.015 274 N CA 1.250 54.095 53.050 -0.341 0.000 0.862 274 N CB -0.137 38.471 38.487 0.203 0.000 0.986 274 N HN 0.154 nan 8.380 nan 0.000 0.429 275 L N 0.064 121.301 121.223 0.024 0.000 2.109 275 L HA 0.113 4.454 4.340 0.002 0.000 0.207 275 L C 1.860 178.754 176.870 0.040 0.000 1.086 275 L CA 1.151 56.055 54.840 0.105 0.000 0.760 275 L CB -0.508 41.734 42.059 0.306 0.000 0.910 275 L HN 0.182 nan 8.230 nan 0.000 0.437 276 L N -1.808 119.439 121.223 0.041 0.000 2.083 276 L HA -0.188 4.153 4.340 0.002 0.000 0.209 276 L C 2.354 179.139 176.870 -0.142 0.000 1.083 276 L CA 0.972 55.815 54.840 0.004 0.000 0.752 276 L CB -0.768 41.303 42.059 0.021 0.000 0.899 276 L HN 0.079 nan 8.230 nan 0.000 0.433 277 V N -1.261 118.476 119.914 -0.294 0.000 2.270 277 V HA -0.258 3.863 4.120 0.002 0.000 0.245 277 V C 2.478 178.445 176.094 -0.212 0.000 1.043 277 V CA 2.323 64.403 62.300 -0.367 0.000 1.014 277 V CB -0.880 30.487 31.823 -0.760 0.000 0.645 277 V HN 0.434 nan 8.190 nan 0.000 0.447 278 T N -0.311 114.154 114.554 -0.147 0.000 2.777 278 T HA -0.136 4.215 4.350 0.002 0.000 0.266 278 T C 1.258 175.897 174.700 -0.102 0.000 1.040 278 T CA 1.543 63.603 62.100 -0.066 0.000 1.141 278 T CB -0.317 68.550 68.868 -0.001 0.000 0.868 278 T HN 0.421 nan 8.240 nan 0.000 0.444 279 D N 1.195 121.506 120.400 -0.148 0.000 2.352 279 D HA 0.089 4.730 4.640 0.002 0.000 0.236 279 D C 0.535 176.514 176.300 -0.536 0.000 1.148 279 D CA 0.087 53.928 54.000 -0.265 0.000 0.844 279 D CB 0.026 40.722 40.800 -0.174 0.000 0.933 279 D HN 0.141 nan 8.370 nan 0.000 0.507 280 K N -0.531 119.666 120.400 -0.340 0.000 2.960 280 K HA -0.246 4.075 4.320 0.002 0.000 0.259 280 K C 0.237 176.643 176.600 -0.324 0.000 1.025 280 K CA 0.547 56.658 56.287 -0.292 0.000 0.756 280 K CB -2.743 29.634 32.500 -0.205 0.000 1.221 280 K HN 0.575 nan 8.250 nan 0.000 0.483 281 H N -1.125 117.890 119.070 -0.092 0.000 2.556 281 H HA 0.119 4.676 4.556 0.002 0.000 0.268 281 H C 0.909 176.176 175.328 -0.102 0.000 0.996 281 H CA 0.519 56.508 56.048 -0.099 0.000 1.157 281 H CB 0.392 30.080 29.762 -0.124 0.000 1.355 281 H HN 0.234 nan 8.280 nan 0.000 0.597 282 V N -3.274 116.615 119.914 -0.042 0.000 3.159 282 V HA 0.173 4.294 4.120 0.002 0.000 0.308 282 V C 0.643 176.704 176.094 -0.055 0.000 1.190 282 V CA -1.125 61.144 62.300 -0.052 0.000 1.037 282 V CB 2.457 34.227 31.823 -0.089 0.000 1.060 282 V HN 0.012 nan 8.190 nan 0.000 0.437 283 E N 1.416 121.604 120.200 -0.020 0.000 2.038 283 E HA 0.251 4.602 4.350 0.002 0.000 0.195 283 E C 0.907 177.485 176.600 -0.036 0.000 1.000 283 E CA 1.820 58.222 56.400 0.003 0.000 0.803 283 E CB 0.011 29.747 29.700 0.061 0.000 0.750 283 E HN 1.036 nan 8.360 nan 0.000 0.448 284 G N -2.020 106.738 108.800 -0.069 0.000 2.548 284 G HA2 0.126 4.088 3.960 0.002 0.000 0.301 284 G HA3 0.126 4.088 3.960 0.002 0.000 0.301 284 G C -1.047 173.763 174.900 -0.150 0.000 1.349 284 G CA -0.728 44.315 45.100 -0.095 0.000 0.792 284 G HN 0.140 nan 8.290 nan 0.000 0.481 285 W N 0.615 121.763 121.300 -0.252 0.000 2.331 285 W HA -0.015 4.646 4.660 0.002 0.000 0.291 285 W C 2.205 178.537 176.519 -0.312 0.000 1.214 285 W CA 1.771 58.882 57.345 -0.390 0.000 1.228 285 W CB 0.289 29.138 29.460 -1.019 0.000 1.135 285 W HN 0.618 nan 8.180 nan 0.000 0.537 286 D N -0.751 119.616 120.400 -0.055 0.000 2.342 286 D HA -0.067 4.574 4.640 0.002 0.000 0.221 286 D C 0.186 176.446 176.300 -0.066 0.000 1.101 286 D CA 0.092 54.059 54.000 -0.055 0.000 0.837 286 D CB -0.797 39.978 40.800 -0.043 0.000 0.938 286 D HN 0.129 nan 8.370 nan 0.000 0.508 287 D N 1.939 122.297 120.400 -0.071 0.000 2.472 287 D HA -0.046 4.595 4.640 0.002 0.000 0.237 287 D C -1.501 174.719 176.300 -0.133 0.000 1.141 287 D CA -1.159 52.798 54.000 -0.071 0.000 0.875 287 D CB 1.878 42.641 40.800 -0.062 0.000 1.192 287 D HN -0.082 nan 8.370 nan 0.000 0.450 288 P HA -0.066 nan 4.420 nan 0.000 0.229 288 P C 0.585 177.605 177.300 -0.468 0.000 1.150 288 P CA 0.930 63.784 63.100 -0.409 0.000 0.765 288 P CB 0.162 31.430 31.700 -0.719 0.000 0.783 289 R N -2.358 117.953 120.500 -0.315 0.000 2.300 289 R HA 0.212 4.553 4.340 0.002 0.000 0.199 289 R C 0.892 177.121 176.300 -0.118 0.000 0.920 289 R CA 0.032 56.012 56.100 -0.200 0.000 1.046 289 R CB -0.101 30.135 30.300 -0.106 0.000 0.984 289 R HN 0.211 nan 8.270 nan 0.000 0.493 290 M N 1.882 121.421 119.600 -0.103 0.000 2.228 290 M HA 0.115 4.596 4.480 0.002 0.000 0.326 290 M C -1.451 174.833 176.300 -0.028 0.000 1.122 290 M CA -1.847 53.425 55.300 -0.045 0.000 1.161 290 M CB 0.445 33.027 32.600 -0.030 0.000 1.437 290 M HN -0.156 nan 8.290 nan 0.000 0.465 291 P HA 0.019 nan 4.420 nan 0.000 0.251 291 P C 0.273 177.619 177.300 0.077 0.000 1.223 291 P CA 0.385 63.495 63.100 0.016 0.000 0.796 291 P CB -0.232 31.482 31.700 0.023 0.000 1.068 292 T N -1.873 112.753 114.554 0.120 0.000 2.855 292 T HA 0.074 4.425 4.350 0.002 0.000 0.314 292 T C 1.578 176.327 174.700 0.082 0.000 1.077 292 T CA -0.480 61.734 62.100 0.189 0.000 1.095 292 T CB 0.511 69.501 68.868 0.203 0.000 0.987 292 T HN -0.246 nan 8.240 nan 0.000 0.546 293 I N 1.622 122.245 120.570 0.088 0.000 2.133 293 I HA -0.157 4.014 4.170 0.002 0.000 0.238 293 I C 2.971 178.990 176.117 -0.162 0.000 1.074 293 I CA 1.623 62.908 61.300 -0.025 0.000 1.342 293 I CB -1.890 36.116 38.000 0.010 0.000 1.053 293 I HN 0.864 nan 8.210 nan 0.000 0.404 294 S N 1.432 117.079 115.700 -0.088 0.000 2.381 294 S HA -0.227 4.244 4.470 0.002 0.000 0.230 294 S C 2.144 176.657 174.600 -0.146 0.000 1.052 294 S CA 1.573 59.697 58.200 -0.126 0.000 1.068 294 S CB -1.509 61.726 63.200 0.059 0.000 0.918 294 S HN 0.567 nan 8.310 nan 0.000 0.448 295 G N 2.033 110.785 108.800 -0.079 0.000 2.464 295 G HA2 -0.059 3.902 3.960 0.002 0.000 0.214 295 G HA3 -0.059 3.902 3.960 0.002 0.000 0.214 295 G C 1.380 176.220 174.900 -0.099 0.000 1.218 295 G CA 0.833 45.879 45.100 -0.089 0.000 0.794 295 G HN 0.460 nan 8.290 nan 0.000 0.542 296 L N 0.428 121.600 121.223 -0.085 0.000 2.151 296 L HA -0.229 4.112 4.340 0.002 0.000 0.215 296 L C 2.924 179.832 176.870 0.063 0.000 1.084 296 L CA 1.836 56.660 54.840 -0.026 0.000 0.764 296 L CB -0.359 41.613 42.059 -0.146 0.000 0.891 296 L HN 0.288 nan 8.230 nan 0.000 0.435 297 R N 0.532 120.947 120.500 -0.142 0.000 2.061 297 R HA -0.200 4.141 4.340 0.002 0.000 0.230 297 R C 2.492 178.753 176.300 -0.064 0.000 1.140 297 R CA 1.736 57.717 56.100 -0.197 0.000 0.940 297 R CB -0.291 29.564 30.300 -0.742 0.000 0.839 297 R HN 0.197 nan 8.270 nan 0.000 0.429 298 R N 0.099 120.535 120.500 -0.107 0.000 2.159 298 R HA -0.164 4.178 4.340 0.002 0.000 0.237 298 R C 2.266 178.534 176.300 -0.053 0.000 1.131 298 R CA 1.643 57.703 56.100 -0.066 0.000 0.982 298 R CB -0.169 30.085 30.300 -0.076 0.000 0.868 298 R HN 0.077 nan 8.270 nan 0.000 0.453 299 R N -0.193 120.271 120.500 -0.060 0.000 2.148 299 R HA -0.026 4.315 4.340 0.002 0.000 0.227 299 R C 0.777 177.049 176.300 -0.045 0.000 1.103 299 R CA 1.611 57.663 56.100 -0.080 0.000 0.983 299 R CB -0.143 30.148 30.300 -0.015 0.000 0.874 299 R HN 0.436 nan 8.270 nan 0.000 0.451 300 G N -2.182 106.619 108.800 0.002 0.000 2.155 300 G HA2 -0.214 3.747 3.960 0.002 0.000 0.135 300 G HA3 -0.214 3.747 3.960 0.002 0.000 0.135 300 G C -0.702 174.147 174.900 -0.085 0.000 1.023 300 G CA -0.262 44.815 45.100 -0.038 0.000 0.688 300 G HN 0.222 nan 8.290 nan 0.000 0.499 301 Y N 1.963 122.286 120.300 0.039 0.000 2.304 301 Y HA 0.498 5.049 4.550 0.002 0.000 0.328 301 Y C 1.472 177.493 175.900 0.200 0.000 1.123 301 Y CA 0.665 58.810 58.100 0.075 0.000 1.218 301 Y CB 1.265 39.764 38.460 0.066 0.000 1.207 301 Y HN 0.259 nan 8.280 nan 0.000 0.495 302 T N -0.132 114.541 114.554 0.197 0.000 2.817 302 T HA 0.439 4.790 4.350 0.002 0.000 0.293 302 T C 1.222 175.966 174.700 0.073 0.000 0.964 302 T CA -0.364 61.792 62.100 0.093 0.000 1.085 302 T CB 1.553 70.400 68.868 -0.034 0.000 0.921 302 T HN 0.836 nan 8.240 nan 0.000 0.502 303 A N 3.425 126.105 122.820 -0.234 0.000 1.954 303 A HA -0.135 4.186 4.320 0.002 0.000 0.222 303 A C 2.604 180.126 177.584 -0.103 0.000 1.199 303 A CA 2.501 54.325 52.037 -0.354 0.000 0.657 303 A CB -1.526 16.974 19.000 -0.833 0.000 0.823 303 A HN 1.327 nan 8.150 nan 0.000 0.463 304 A N 0.072 122.820 122.820 -0.119 0.000 1.865 304 A HA -0.122 4.199 4.320 0.002 0.000 0.217 304 A C 2.538 180.143 177.584 0.034 0.000 1.191 304 A CA 2.740 54.743 52.037 -0.055 0.000 0.623 304 A CB -1.234 17.719 19.000 -0.078 0.000 0.826 304 A HN 1.264 nan 8.150 nan 0.000 0.444 305 S N 0.107 115.848 115.700 0.067 0.000 2.387 305 S HA -0.189 4.282 4.470 0.002 0.000 0.230 305 S C 1.866 176.578 174.600 0.188 0.000 1.035 305 S CA 1.665 59.944 58.200 0.132 0.000 1.014 305 S CB -0.791 62.519 63.200 0.184 0.000 0.836 305 S HN 0.482 nan 8.310 nan 0.000 0.466 306 I N 1.569 122.256 120.570 0.195 0.000 2.193 306 I HA -0.093 4.078 4.170 0.002 0.000 0.240 306 I C 3.038 179.288 176.117 0.222 0.000 1.084 306 I CA 1.166 62.592 61.300 0.209 0.000 1.365 306 I CB -0.269 37.861 38.000 0.216 0.000 1.064 306 I HN 0.220 nan 8.210 nan 0.000 0.410 307 R N 0.286 120.883 120.500 0.161 0.000 2.193 307 R HA -0.211 4.130 4.340 0.002 0.000 0.229 307 R C 2.061 178.432 176.300 0.119 0.000 1.110 307 R CA 1.205 57.392 56.100 0.144 0.000 0.988 307 R CB -0.201 30.162 30.300 0.105 0.000 0.871 307 R HN 0.342 nan 8.270 nan 0.000 0.458 308 E N 0.686 120.964 120.200 0.130 0.000 2.033 308 E HA -0.150 4.201 4.350 0.002 0.000 0.189 308 E C 1.534 178.232 176.600 0.164 0.000 0.979 308 E CA 0.815 57.284 56.400 0.115 0.000 0.802 308 E CB -0.368 29.393 29.700 0.102 0.000 0.763 308 E HN 0.144 nan 8.360 nan 0.000 0.449 309 F N 1.183 121.158 119.950 0.043 0.000 2.043 309 F HA -0.333 4.194 4.527 0.001 0.000 0.297 309 F C 2.242 178.060 175.800 0.030 0.000 1.118 309 F CA 1.918 59.941 58.000 0.039 0.000 1.202 309 F CB -1.052 37.969 39.000 0.035 0.000 0.965 309 F HN 0.207 nan 8.300 nan 0.000 0.482 310 C N 0.820 120.143 119.300 0.039 0.000 2.401 310 C HA -0.232 4.229 4.460 0.002 0.000 0.276 310 C C 2.848 177.775 174.990 -0.103 0.000 1.233 310 C CA 1.675 60.631 59.018 -0.104 0.000 1.753 310 C CB -1.341 26.400 27.740 0.002 0.000 2.029 310 C HN 0.593 nan 8.230 nan 0.000 0.478 311 K N 0.423 120.807 120.400 -0.027 0.000 2.057 311 K HA -0.089 4.232 4.320 0.002 0.000 0.206 311 K C 2.200 178.774 176.600 -0.043 0.000 1.050 311 K CA 1.143 57.414 56.287 -0.027 0.000 0.935 311 K CB -0.227 32.278 32.500 0.008 0.000 0.715 311 K HN 0.428 nan 8.250 nan 0.000 0.439 312 R N 0.751 121.230 120.500 -0.034 0.000 2.237 312 R HA -0.024 4.318 4.340 0.002 0.000 0.219 312 R C 1.984 178.238 176.300 -0.076 0.000 1.080 312 R CA 1.208 57.292 56.100 -0.027 0.000 0.995 312 R CB -0.166 30.156 30.300 0.036 0.000 0.875 312 R HN 0.483 nan 8.270 nan 0.000 0.462 313 I N -3.596 116.874 120.570 -0.167 0.000 4.018 313 I HA 0.328 4.499 4.170 0.002 0.000 0.337 313 I C 0.709 176.763 176.117 -0.105 0.000 1.327 313 I CA -0.021 61.176 61.300 -0.172 0.000 1.100 313 I CB 0.046 37.841 38.000 -0.343 0.000 1.025 313 I HN 0.063 nan 8.210 nan 0.000 0.396 314 G N 1.909 110.658 108.800 -0.085 0.000 2.692 314 G HA2 -0.193 3.768 3.960 0.002 0.000 0.248 314 G HA3 -0.193 3.768 3.960 0.002 0.000 0.248 314 G C -0.549 174.319 174.900 -0.053 0.000 1.340 314 G CA -0.098 44.973 45.100 -0.049 0.000 0.896 314 G HN 0.357 nan 8.290 nan 0.000 0.570 315 V N 1.633 121.547 119.914 -0.000 0.000 2.509 315 V HA 0.721 4.842 4.120 0.002 0.000 0.289 315 V C 0.454 176.723 176.094 0.293 0.000 1.026 315 V CA 0.415 62.734 62.300 0.031 0.000 0.872 315 V CB 1.304 33.011 31.823 -0.193 0.000 1.017 315 V HN 1.751 nan 8.190 nan 0.000 0.436 316 T N 0.962 115.700 114.554 0.306 0.000 2.804 316 T HA 0.512 4.863 4.350 0.002 0.000 0.290 316 T C 0.250 175.041 174.700 0.151 0.000 1.099 316 T CA -0.773 61.460 62.100 0.221 0.000 1.011 316 T CB 2.460 71.372 68.868 0.073 0.000 1.291 316 T HN 0.318 nan 8.240 nan 0.000 0.523 317 K N -0.032 120.304 120.400 -0.107 0.000 2.404 317 K HA 0.169 4.490 4.320 0.002 0.000 0.194 317 K C 0.501 177.081 176.600 -0.033 0.000 1.023 317 K CA -0.015 56.224 56.287 -0.079 0.000 1.094 317 K CB 0.272 32.639 32.500 -0.221 0.000 0.841 317 K HN 0.497 nan 8.250 nan 0.000 0.523 318 Q N 1.315 121.106 119.800 -0.015 0.000 2.293 318 Q HA 0.064 4.405 4.340 0.002 0.000 0.251 318 Q C -0.592 175.415 176.000 0.011 0.000 0.930 318 Q CA -0.170 55.627 55.803 -0.009 0.000 0.893 318 Q CB 1.027 29.760 28.738 -0.009 0.000 1.215 318 Q HN 0.093 nan 8.270 nan 0.000 0.425 319 D N 2.062 122.462 120.400 -0.001 0.000 2.382 319 D HA 0.128 4.769 4.640 0.002 0.000 0.245 319 D C -0.278 176.025 176.300 0.005 0.000 1.120 319 D CA 0.339 54.339 54.000 -0.000 0.000 0.890 319 D CB 0.626 41.417 40.800 -0.014 0.000 1.201 319 D HN 0.574 nan 8.370 nan 0.000 0.433 320 N N -1.927 116.779 118.700 0.010 0.000 2.591 320 N HA 0.541 5.282 4.740 0.002 0.000 0.263 320 N C -1.746 173.771 175.510 0.011 0.000 1.308 320 N CA -0.823 52.234 53.050 0.012 0.000 0.837 320 N CB 1.766 40.265 38.487 0.020 0.000 1.548 320 N HN 0.036 nan 8.380 nan 0.000 0.493 321 T N 0.967 115.530 114.554 0.015 0.000 3.176 321 T HA 0.306 4.657 4.350 0.002 0.000 0.337 321 T C -0.717 174.011 174.700 0.047 0.000 0.957 321 T CA -0.358 61.753 62.100 0.019 0.000 1.092 321 T CB -0.014 68.848 68.868 -0.010 0.000 1.018 321 T HN 0.423 nan 8.240 nan 0.000 0.473 322 I N 2.822 123.446 120.570 0.089 0.000 2.648 322 I HA 0.157 4.328 4.170 0.002 0.000 0.284 322 I C 1.062 177.271 176.117 0.153 0.000 1.153 322 I CA -0.200 61.189 61.300 0.149 0.000 1.426 322 I CB 0.208 38.372 38.000 0.272 0.000 1.381 322 I HN 0.550 nan 8.210 nan 0.000 0.571 323 E N 4.933 125.221 120.200 0.146 0.000 2.371 323 E HA 0.126 4.477 4.350 0.002 0.000 0.257 323 E C 0.772 177.465 176.600 0.155 0.000 1.134 323 E CA -0.624 55.859 56.400 0.138 0.000 0.919 323 E CB 0.608 30.381 29.700 0.122 0.000 1.025 323 E HN 0.441 nan 8.360 nan 0.000 0.438 324 M N 0.615 120.308 119.600 0.156 0.000 2.099 324 M HA -0.121 4.360 4.480 0.002 0.000 0.262 324 M C 2.122 178.468 176.300 0.077 0.000 1.067 324 M CA 1.367 56.732 55.300 0.107 0.000 1.124 324 M CB -1.293 31.383 32.600 0.126 0.000 1.353 324 M HN 0.698 nan 8.290 nan 0.000 0.410 325 A N -0.487 122.391 122.820 0.095 0.000 2.093 325 A HA -0.173 4.148 4.320 0.002 0.000 0.222 325 A C 2.514 180.153 177.584 0.093 0.000 1.162 325 A CA 2.158 54.245 52.037 0.084 0.000 0.655 325 A CB -0.734 18.317 19.000 0.085 0.000 0.805 325 A HN 0.489 nan 8.150 nan 0.000 0.461 326 S N -0.920 114.854 115.700 0.123 0.000 2.325 326 S HA -0.007 4.464 4.470 0.002 0.000 0.213 326 S C 1.847 176.510 174.600 0.104 0.000 1.031 326 S CA 0.949 59.260 58.200 0.185 0.000 0.984 326 S CB -0.429 62.976 63.200 0.342 0.000 0.939 326 S HN 0.561 nan 8.310 nan 0.000 0.438 327 L N 1.453 122.600 121.223 -0.127 0.000 2.089 327 L HA -0.209 4.132 4.340 0.002 0.000 0.213 327 L C 2.349 179.186 176.870 -0.055 0.000 1.079 327 L CA 1.691 56.244 54.840 -0.478 0.000 0.758 327 L CB -0.439 41.196 42.059 -0.706 0.000 0.891 327 L HN 0.491 nan 8.230 nan 0.000 0.433 328 E N -1.053 119.161 120.200 0.022 0.000 2.015 328 E HA -0.237 4.114 4.350 0.002 0.000 0.191 328 E C 2.158 178.792 176.600 0.056 0.000 0.991 328 E CA 1.342 57.786 56.400 0.074 0.000 0.802 328 E CB -0.240 29.497 29.700 0.062 0.000 0.759 328 E HN 0.408 nan 8.360 nan 0.000 0.447 329 S N 0.549 116.287 115.700 0.063 0.000 2.389 329 S HA -0.251 4.220 4.470 0.002 0.000 0.231 329 S C 2.202 176.831 174.600 0.048 0.000 1.052 329 S CA 1.578 59.815 58.200 0.060 0.000 1.053 329 S CB -0.494 62.753 63.200 0.078 0.000 0.886 329 S HN 0.380 nan 8.310 nan 0.000 0.456 330 C N 0.599 119.942 119.300 0.073 0.000 2.442 330 C HA -0.029 4.432 4.460 0.002 0.000 0.279 330 C C 2.451 177.453 174.990 0.020 0.000 1.237 330 C CA 0.851 59.916 59.018 0.077 0.000 1.722 330 C CB -1.528 26.294 27.740 0.136 0.000 2.056 330 C HN 0.752 nan 8.230 nan 0.000 0.469 331 I N 1.202 121.777 120.570 0.008 0.000 2.208 331 I HA -0.186 3.985 4.170 0.002 0.000 0.245 331 I C 2.603 178.543 176.117 -0.296 0.000 1.097 331 I CA 1.604 62.789 61.300 -0.192 0.000 1.363 331 I CB -0.597 37.087 38.000 -0.526 0.000 1.051 331 I HN 0.236 nan 8.210 nan 0.000 0.413 332 R N 0.110 120.475 120.500 -0.226 0.000 2.080 332 R HA -0.236 4.105 4.340 0.002 0.000 0.236 332 R C 2.340 178.537 176.300 -0.172 0.000 1.137 332 R CA 1.916 57.870 56.100 -0.244 0.000 0.943 332 R CB -0.631 29.660 30.300 -0.015 0.000 0.846 332 R HN 0.542 nan 8.270 nan 0.000 0.431 333 E N 0.673 120.831 120.200 -0.071 0.000 2.070 333 E HA -0.276 4.075 4.350 0.002 0.000 0.197 333 E C 1.663 178.222 176.600 -0.068 0.000 1.004 333 E CA 1.821 58.201 56.400 -0.033 0.000 0.805 333 E CB -0.077 29.622 29.700 -0.002 0.000 0.744 333 E HN 0.207 nan 8.360 nan 0.000 0.451 334 D N 0.019 120.355 120.400 -0.107 0.000 2.081 334 D HA -0.164 4.478 4.640 0.002 0.000 0.194 334 D C 2.120 178.324 176.300 -0.161 0.000 0.986 334 D CA 0.991 54.921 54.000 -0.117 0.000 0.837 334 D CB -0.262 40.465 40.800 -0.120 0.000 0.985 334 D HN 0.166 nan 8.370 nan 0.000 0.448 335 L N 1.255 122.290 121.223 -0.314 0.000 2.043 335 L HA -0.174 4.168 4.340 0.002 0.000 0.212 335 L C 2.238 179.018 176.870 -0.149 0.000 1.075 335 L CA 1.664 56.264 54.840 -0.400 0.000 0.752 335 L CB -1.584 39.911 42.059 -0.939 0.000 0.891 335 L HN 0.265 nan 8.230 nan 0.000 0.432 336 N N -0.659 117.974 118.700 -0.112 0.000 2.094 336 N HA -0.247 4.494 4.740 0.002 0.000 0.191 336 N C 1.903 177.579 175.510 0.276 0.000 1.023 336 N CA 1.454 54.659 53.050 0.258 0.000 0.857 336 N CB -0.062 38.547 38.487 0.203 0.000 1.013 336 N HN 0.267 nan 8.380 nan 0.000 0.426 337 E N -0.682 119.583 120.200 0.108 0.000 2.299 337 E HA -0.015 4.336 4.350 0.002 0.000 0.193 337 E C 0.620 177.172 176.600 -0.081 0.000 0.998 337 E CA 0.536 56.956 56.400 0.035 0.000 0.851 337 E CB 0.060 29.751 29.700 -0.015 0.000 0.795 337 E HN 0.525 nan 8.360 nan 0.000 0.492 338 N N -0.237 118.451 118.700 -0.021 0.000 2.516 338 N HA 0.066 4.807 4.740 0.002 0.000 0.197 338 N C 0.290 175.819 175.510 0.033 0.000 1.064 338 N CA 0.319 53.336 53.050 -0.056 0.000 0.866 338 N CB 0.087 38.532 38.487 -0.071 0.000 1.255 338 N HN -0.063 nan 8.380 nan 0.000 0.447 339 A N 3.800 126.695 122.820 0.125 0.000 2.488 339 A HA 0.294 4.615 4.320 0.002 0.000 0.249 339 A C -2.225 175.550 177.584 0.319 0.000 1.083 339 A CA -0.766 51.382 52.037 0.186 0.000 0.768 339 A CB -0.142 19.014 19.000 0.259 0.000 1.017 339 A HN 0.028 nan 8.150 nan 0.000 0.496 340 P HA 0.340 nan 4.420 nan 0.000 0.285 340 P C -0.642 176.824 177.300 0.278 0.000 1.259 340 P CA -0.460 62.817 63.100 0.295 0.000 0.794 340 P CB 1.020 32.868 31.700 0.247 0.000 0.940 341 R N 1.617 122.216 120.500 0.164 0.000 2.679 341 R HA 0.664 5.005 4.340 0.002 0.000 0.269 341 R C 0.533 176.894 176.300 0.103 0.000 1.076 341 R CA 0.064 56.225 56.100 0.102 0.000 1.160 341 R CB -0.081 30.204 30.300 -0.025 0.000 1.054 341 R HN 0.628 nan 8.270 nan 0.000 0.507 342 A N 0.930 123.782 122.820 0.053 0.000 2.535 342 A HA 0.751 5.072 4.320 0.002 0.000 0.296 342 A C -1.505 175.924 177.584 -0.258 0.000 1.248 342 A CA -0.737 51.245 52.037 -0.092 0.000 0.686 342 A CB 1.294 20.233 19.000 -0.101 0.000 1.315 342 A HN 0.425 nan 8.150 nan 0.000 0.460 343 M N 0.284 119.619 119.600 -0.441 0.000 2.190 343 M HA 0.708 5.190 4.480 0.002 0.000 0.312 343 M C -0.313 175.581 176.300 -0.677 0.000 0.990 343 M CA -0.537 54.461 55.300 -0.502 0.000 0.927 343 M CB 0.600 32.881 32.600 -0.531 0.000 1.571 343 M HN 1.178 nan 8.290 nan 0.000 0.427 344 A N 2.903 125.347 122.820 -0.627 0.000 2.515 344 A HA 0.889 5.210 4.320 0.002 0.000 0.298 344 A C -1.372 176.084 177.584 -0.213 0.000 1.059 344 A CA -0.663 50.961 52.037 -0.688 0.000 0.698 344 A CB 1.910 20.108 19.000 -1.336 0.000 1.289 344 A HN 0.527 nan 8.150 nan 0.000 0.404 345 V N 3.196 123.015 119.914 -0.158 0.000 2.447 345 V HA 0.236 4.357 4.120 0.002 0.000 0.292 345 V C 0.195 176.243 176.094 -0.076 0.000 1.021 345 V CA -0.175 62.123 62.300 -0.003 0.000 0.850 345 V CB 1.112 32.916 31.823 -0.033 0.000 1.005 345 V HN 0.858 nan 8.190 nan 0.000 0.426 346 I N 2.147 122.710 120.570 -0.011 0.000 2.235 346 I HA 0.057 4.228 4.170 0.002 0.000 0.241 346 I C 0.848 176.941 176.117 -0.040 0.000 1.085 346 I CA 1.244 62.529 61.300 -0.026 0.000 1.378 346 I CB -0.032 37.994 38.000 0.043 0.000 1.076 346 I HN 0.501 nan 8.210 nan 0.000 0.415 347 D N 2.306 122.698 120.400 -0.013 0.000 2.256 347 D HA 0.395 5.036 4.640 0.002 0.000 0.240 347 D C -2.521 173.754 176.300 -0.042 0.000 1.062 347 D CA -1.335 52.653 54.000 -0.020 0.000 0.832 347 D CB 2.008 42.818 40.800 0.016 0.000 1.135 347 D HN 0.060 nan 8.370 nan 0.000 0.484 348 P HA 0.306 nan 4.420 nan 0.000 0.317 348 P C -1.223 176.083 177.300 0.010 0.000 1.549 348 P CA -0.743 62.285 63.100 -0.120 0.000 1.205 348 P CB 2.783 34.192 31.700 -0.486 0.000 1.391 349 V N 3.505 123.507 119.914 0.146 0.000 2.604 349 V HA 0.360 4.481 4.120 0.002 0.000 0.305 349 V C 0.084 176.319 176.094 0.235 0.000 1.043 349 V CA -1.030 61.368 62.300 0.163 0.000 0.888 349 V CB 1.897 33.753 31.823 0.055 0.000 0.995 349 V HN 0.482 nan 8.190 nan 0.000 0.429 350 K N 5.447 125.928 120.400 0.136 0.000 2.368 350 K HA 0.371 4.692 4.320 0.002 0.000 0.282 350 K C -0.858 175.560 176.600 -0.304 0.000 1.035 350 K CA -0.173 55.987 56.287 -0.212 0.000 0.973 350 K CB 0.615 32.837 32.500 -0.464 0.000 0.957 350 K HN 0.670 nan 8.250 nan 0.000 0.474 351 L N 6.047 127.063 121.223 -0.346 0.000 2.343 351 L HA 0.370 4.711 4.340 0.002 0.000 0.278 351 L C -1.092 175.516 176.870 -0.437 0.000 0.996 351 L CA -0.912 53.716 54.840 -0.354 0.000 0.831 351 L CB 1.448 43.371 42.059 -0.226 0.000 1.232 351 L HN 0.464 nan 8.230 nan 0.000 0.413 352 V N 3.455 123.056 119.914 -0.521 0.000 2.333 352 V HA 0.445 4.566 4.120 0.002 0.000 0.274 352 V C 0.263 176.175 176.094 -0.303 0.000 1.028 352 V CA -0.494 61.514 62.300 -0.487 0.000 0.851 352 V CB 0.825 32.248 31.823 -0.666 0.000 1.000 352 V HN 0.642 nan 8.190 nan 0.000 0.456 353 I N 4.378 124.795 120.570 -0.255 0.000 2.260 353 I HA 0.223 4.394 4.170 0.002 0.000 0.297 353 I C 1.391 177.483 176.117 -0.042 0.000 1.143 353 I CA 0.046 61.268 61.300 -0.130 0.000 1.271 353 I CB 0.393 38.266 38.000 -0.211 0.000 1.461 353 I HN 0.735 nan 8.210 nan 0.000 0.530 354 E N 3.633 123.851 120.200 0.029 0.000 2.265 354 E HA -0.206 4.146 4.350 0.002 0.000 0.196 354 E C 1.562 178.211 176.600 0.081 0.000 0.996 354 E CA 0.607 57.046 56.400 0.064 0.000 0.832 354 E CB -0.034 29.736 29.700 0.117 0.000 0.756 354 E HN 0.628 nan 8.360 nan 0.000 0.491 355 N N 0.299 119.078 118.700 0.132 0.000 2.521 355 N HA -0.118 4.623 4.740 0.002 0.000 0.188 355 N C -0.465 175.228 175.510 0.305 0.000 1.146 355 N CA 0.103 53.272 53.050 0.198 0.000 0.893 355 N CB 0.179 38.814 38.487 0.247 0.000 0.975 355 N HN 0.086 nan 8.380 nan 0.000 0.451 356 Y N 3.115 123.410 120.300 -0.008 0.000 2.425 356 Y HA 0.126 4.677 4.550 0.002 0.000 0.347 356 Y C -0.098 175.751 175.900 -0.085 0.000 0.976 356 Y CA -0.713 57.278 58.100 -0.182 0.000 1.190 356 Y CB 0.303 38.446 38.460 -0.528 0.000 1.136 356 Y HN 0.087 nan 8.280 nan 0.000 0.517 357 Q N 5.613 125.136 119.800 -0.461 0.000 2.256 357 Q HA 0.726 5.067 4.340 0.002 0.000 0.257 357 Q C -0.228 175.424 176.000 -0.580 0.000 0.936 357 Q CA 0.006 55.596 55.803 -0.357 0.000 0.903 357 Q CB 1.756 30.385 28.738 -0.182 0.000 1.263 357 Q HN 0.966 nan 8.270 nan 0.000 0.440 358 G N 2.497 111.099 108.800 -0.330 0.000 2.318 358 G HA2 -0.097 3.864 3.960 0.002 0.000 0.367 358 G HA3 -0.097 3.864 3.960 0.002 0.000 0.367 358 G C -0.660 174.207 174.900 -0.055 0.000 1.260 358 G CA -0.183 44.781 45.100 -0.227 0.000 1.055 358 G HN 0.490 nan 8.290 nan 0.000 0.484 359 E N 0.556 120.785 120.200 0.049 0.000 2.758 359 E HA 0.463 4.814 4.350 0.002 0.000 0.215 359 E C 0.849 177.576 176.600 0.211 0.000 0.985 359 E CA 0.897 57.362 56.400 0.108 0.000 1.102 359 E CB 0.935 30.668 29.700 0.054 0.000 1.042 359 E HN 2.125 nan 8.360 nan 0.000 0.480 360 G N 1.836 110.843 108.800 0.344 0.000 2.373 360 G HA2 -0.062 3.899 3.960 0.002 0.000 0.634 360 G HA3 -0.062 3.899 3.960 0.002 0.000 0.634 360 G C -0.294 174.795 174.900 0.314 0.000 1.267 360 G CA -0.057 45.238 45.100 0.324 0.000 1.008 360 G HN 0.144 nan 8.290 nan 0.000 0.497 361 E N -2.935 117.423 120.200 0.263 0.000 3.501 361 E HA 0.733 5.084 4.350 0.002 0.000 0.101 361 E C -0.871 175.825 176.600 0.160 0.000 1.422 361 E CA -0.764 55.772 56.400 0.226 0.000 0.839 361 E CB 0.875 30.759 29.700 0.306 0.000 1.919 361 E HN 1.195 nan 8.360 nan 0.000 0.591 362 M N 1.953 121.660 119.600 0.177 0.000 2.387 362 M HA 0.244 4.725 4.480 0.002 0.000 0.215 362 M C -1.944 174.434 176.300 0.130 0.000 0.973 362 M CA -0.467 54.909 55.300 0.127 0.000 0.924 362 M CB 1.954 34.597 32.600 0.072 0.000 2.471 362 M HN 0.518 nan 8.290 nan 0.000 0.445 363 V N 1.143 121.162 119.914 0.175 0.000 2.465 363 V HA 0.751 4.872 4.120 0.002 0.000 0.279 363 V C 0.209 176.353 176.094 0.083 0.000 1.045 363 V CA -0.263 62.112 62.300 0.126 0.000 0.938 363 V CB 1.124 33.070 31.823 0.205 0.000 0.986 363 V HN 0.776 nan 8.190 nan 0.000 0.467 364 T N 7.871 122.448 114.554 0.039 0.000 2.749 364 T HA 0.555 4.906 4.350 0.002 0.000 0.295 364 T C -0.101 174.610 174.700 0.019 0.000 0.936 364 T CA 0.019 62.134 62.100 0.025 0.000 1.060 364 T CB 0.258 69.135 68.868 0.013 0.000 0.904 364 T HN 0.722 nan 8.240 nan 0.000 0.500 365 M N 4.777 124.385 119.600 0.013 0.000 2.465 365 M HA 0.421 4.902 4.480 0.002 0.000 0.316 365 M C -2.605 173.699 176.300 0.007 0.000 1.121 365 M CA -2.357 52.944 55.300 0.001 0.000 0.934 365 M CB 2.311 34.894 32.600 -0.028 0.000 1.692 365 M HN 0.198 nan 8.290 nan 0.000 0.444 366 P HA 0.252 nan 4.420 nan 0.000 0.279 366 P C -0.219 177.105 177.300 0.040 0.000 1.252 366 P CA -0.432 62.684 63.100 0.028 0.000 0.811 366 P CB 0.771 32.487 31.700 0.027 0.000 1.035 367 N N 0.046 118.792 118.700 0.076 0.000 2.333 367 N HA -0.089 4.652 4.740 0.002 0.000 0.178 367 N C -0.097 175.511 175.510 0.163 0.000 1.018 367 N CA 1.232 54.350 53.050 0.114 0.000 0.882 367 N CB -0.038 38.525 38.487 0.126 0.000 0.984 367 N HN 0.557 nan 8.380 nan 0.000 0.434 368 H N -0.760 118.337 119.070 0.045 0.000 3.277 368 H HA 0.229 4.785 4.556 0.001 0.000 0.329 368 H C -2.063 173.285 175.328 0.033 0.000 1.034 368 H CA -1.182 54.893 56.048 0.045 0.000 1.530 368 H CB 2.062 31.853 29.762 0.048 0.000 1.837 368 H HN -0.138 nan 8.280 nan 0.000 0.493 369 P HA -0.142 nan 4.420 nan 0.000 0.216 369 P C 0.409 177.741 177.300 0.054 0.000 1.153 369 P CA 1.276 64.368 63.100 -0.013 0.000 0.858 369 P CB 0.324 31.979 31.700 -0.075 0.000 0.789 370 N N -1.366 117.402 118.700 0.112 0.000 2.322 370 N HA 0.058 4.799 4.740 0.002 0.000 0.194 370 N C -0.259 175.374 175.510 0.205 0.000 1.126 370 N CA 0.469 53.611 53.050 0.153 0.000 0.845 370 N CB 0.033 38.607 38.487 0.144 0.000 0.976 370 N HN 0.121 nan 8.380 nan 0.000 0.475 371 K N 0.070 120.633 120.400 0.272 0.000 2.896 371 K HA 0.152 4.473 4.320 0.002 0.000 0.228 371 K C -2.235 174.437 176.600 0.119 0.000 1.151 371 K CA -0.997 55.375 56.287 0.142 0.000 1.035 371 K CB 2.234 34.738 32.500 0.007 0.000 1.263 371 K HN -0.101 nan 8.250 nan 0.000 0.574 372 P HA -0.229 nan 4.420 nan 0.000 0.228 372 P C 0.533 177.862 177.300 0.048 0.000 1.151 372 P CA 1.095 64.234 63.100 0.065 0.000 0.770 372 P CB 0.366 32.093 31.700 0.045 0.000 0.786 373 E N 0.541 120.761 120.200 0.032 0.000 2.233 373 E HA -0.190 4.161 4.350 0.002 0.000 0.199 373 E C 1.482 178.092 176.600 0.018 0.000 1.004 373 E CA 1.183 57.592 56.400 0.014 0.000 0.819 373 E CB -1.172 28.524 29.700 -0.006 0.000 0.738 373 E HN 0.435 nan 8.360 nan 0.000 0.478 374 M N 0.809 120.429 119.600 0.032 0.000 2.608 374 M HA 0.200 4.682 4.480 0.002 0.000 0.224 374 M C 0.864 177.198 176.300 0.057 0.000 1.204 374 M CA 0.400 55.726 55.300 0.043 0.000 0.984 374 M CB 0.309 32.944 32.600 0.059 0.000 1.691 374 M HN 0.171 nan 8.290 nan 0.000 0.469 375 G N 0.591 109.420 108.800 0.048 0.000 2.668 375 G HA2 -0.216 3.745 3.960 0.002 0.000 0.266 375 G HA3 -0.216 3.745 3.960 0.002 0.000 0.266 375 G C -0.528 174.402 174.900 0.051 0.000 1.328 375 G CA -0.422 44.705 45.100 0.044 0.000 0.911 375 G HN 0.443 nan 8.290 nan 0.000 0.567 376 S N -0.627 115.098 115.700 0.041 0.000 2.570 376 S HA 0.765 5.236 4.470 0.002 0.000 0.286 376 S C 0.337 174.957 174.600 0.034 0.000 1.099 376 S CA -0.198 58.024 58.200 0.037 0.000 0.913 376 S CB 1.984 65.201 63.200 0.028 0.000 1.085 376 S HN 0.977 nan 8.310 nan 0.000 0.480 377 R N 0.599 121.116 120.500 0.029 0.000 2.893 377 R HA 0.733 5.074 4.340 0.002 0.000 0.245 377 R C -1.317 174.993 176.300 0.016 0.000 1.192 377 R CA -0.917 55.197 56.100 0.024 0.000 1.077 377 R CB 0.565 30.878 30.300 0.022 0.000 1.253 377 R HN 0.371 nan 8.270 nan 0.000 0.505 378 Q N 0.803 120.611 119.800 0.013 0.000 2.333 378 Q HA 0.407 4.748 4.340 0.002 0.000 0.268 378 Q C -1.580 174.421 176.000 0.002 0.000 1.007 378 Q CA -0.666 55.146 55.803 0.015 0.000 0.810 378 Q CB 2.232 30.982 28.738 0.020 0.000 1.264 378 Q HN 0.537 nan 8.270 nan 0.000 0.452 379 V N 3.611 123.534 119.914 0.014 0.000 2.656 379 V HA 0.635 4.756 4.120 0.002 0.000 0.307 379 V C -2.352 173.778 176.094 0.060 0.000 1.051 379 V CA -2.218 60.081 62.300 -0.002 0.000 0.893 379 V CB 1.800 33.588 31.823 -0.060 0.000 0.999 379 V HN 0.745 nan 8.190 nan 0.000 0.426 380 P HA 0.095 nan 4.420 nan 0.000 0.263 380 P C -0.777 176.582 177.300 0.098 0.000 1.247 380 P CA 0.266 63.271 63.100 -0.158 0.000 0.876 380 P CB 0.184 31.462 31.700 -0.702 0.000 0.928 381 F N 4.130 124.133 119.950 0.088 0.000 2.375 381 F HA 0.441 4.969 4.527 0.002 0.000 0.333 381 F C 0.525 176.230 175.800 -0.158 0.000 1.104 381 F CA 0.506 58.530 58.000 0.041 0.000 1.149 381 F CB 1.369 40.393 39.000 0.039 0.000 1.190 381 F HN 0.434 nan 8.300 nan 0.000 0.533 382 S N 2.402 117.080 115.700 -1.704 0.000 2.880 382 S HA 0.663 5.134 4.470 0.002 0.000 0.308 382 S C -0.076 173.384 174.600 -1.899 0.000 1.195 382 S CA -0.209 57.182 58.200 -1.349 0.000 0.866 382 S CB 1.104 63.971 63.200 -0.555 0.000 1.254 382 S HN 0.975 nan 8.310 nan 0.000 0.571 383 G N -0.799 107.264 108.800 -1.227 0.000 3.441 383 G HA2 0.379 4.340 3.960 0.002 0.000 0.263 383 G HA3 0.379 4.340 3.960 0.002 0.000 0.263 383 G C -0.187 174.383 174.900 -0.551 0.000 1.014 383 G CA -0.242 44.324 45.100 -0.890 0.000 0.833 383 G HN 0.566 nan 8.290 nan 0.000 0.514 384 E N 1.333 121.202 120.200 -0.552 0.000 3.898 384 E HA 0.210 4.561 4.350 0.002 0.000 0.219 384 E C 0.159 176.398 176.600 -0.602 0.000 1.207 384 E CA -0.319 55.771 56.400 -0.517 0.000 1.240 384 E CB 0.876 30.314 29.700 -0.437 0.000 1.239 384 E HN 0.615 nan 8.360 nan 0.000 0.422 385 I N -3.111 117.117 120.570 -0.570 0.000 3.468 385 I HA 0.547 4.718 4.170 0.002 0.000 0.299 385 I C -0.215 175.661 176.117 -0.401 0.000 1.141 385 I CA -0.619 60.410 61.300 -0.451 0.000 0.950 385 I CB 1.001 38.773 38.000 -0.380 0.000 1.522 385 I HN 0.002 nan 8.210 nan 0.000 0.699 386 W N 1.546 122.765 121.300 -0.136 0.000 2.736 386 W HA 0.775 5.436 4.660 0.001 0.000 0.355 386 W C -0.484 176.006 176.519 -0.047 0.000 1.102 386 W CA -0.649 56.615 57.345 -0.134 0.000 1.164 386 W CB 1.703 31.073 29.460 -0.149 0.000 1.422 386 W HN 0.509 nan 8.180 nan 0.000 0.572 387 I N -1.714 118.994 120.570 0.231 0.000 3.149 387 I HA 0.414 4.586 4.170 0.002 0.000 0.310 387 I C -1.468 174.655 176.117 0.009 0.000 1.343 387 I CA -1.150 60.189 61.300 0.066 0.000 0.955 387 I CB 1.817 39.846 38.000 0.048 0.000 1.309 387 I HN 0.111 nan 8.210 nan 0.000 0.478 388 D N 1.414 121.757 120.400 -0.095 0.000 2.317 388 D HA 0.321 4.962 4.640 0.002 0.000 0.252 388 D C 1.046 177.376 176.300 0.051 0.000 1.174 388 D CA -0.103 53.878 54.000 -0.032 0.000 0.866 388 D CB 1.455 42.227 40.800 -0.047 0.000 1.127 388 D HN 0.533 nan 8.370 nan 0.000 0.467 389 R N 2.861 123.409 120.500 0.080 0.000 2.134 389 R HA -0.235 4.106 4.340 0.002 0.000 0.248 389 R C 1.847 178.254 176.300 0.179 0.000 1.143 389 R CA 1.854 58.038 56.100 0.140 0.000 0.957 389 R CB -0.376 29.992 30.300 0.113 0.000 0.867 389 R HN 0.514 nan 8.270 nan 0.000 0.441 390 A N 1.052 123.953 122.820 0.134 0.000 2.225 390 A HA -0.154 4.167 4.320 0.002 0.000 0.215 390 A C 1.043 178.728 177.584 0.169 0.000 1.164 390 A CA 1.494 53.619 52.037 0.146 0.000 0.710 390 A CB -0.218 18.846 19.000 0.107 0.000 0.780 390 A HN 0.227 nan 8.150 nan 0.000 0.473 391 D N -1.664 118.829 120.400 0.155 0.000 2.289 391 D HA 0.070 4.711 4.640 0.002 0.000 0.207 391 D C 0.099 176.571 176.300 0.287 0.000 0.966 391 D CA 0.358 54.444 54.000 0.144 0.000 0.868 391 D CB -0.014 40.834 40.800 0.080 0.000 0.943 391 D HN 0.455 nan 8.370 nan 0.000 0.514 392 F N 1.575 121.620 119.950 0.158 0.000 2.405 392 F HA 0.489 5.017 4.527 0.002 0.000 0.355 392 F C -0.171 175.703 175.800 0.123 0.000 1.121 392 F CA -0.790 57.295 58.000 0.142 0.000 1.112 392 F CB 0.701 39.749 39.000 0.081 0.000 1.126 392 F HN -0.424 nan 8.300 nan 0.000 0.481 393 R N 4.225 124.118 120.500 -1.011 0.000 2.564 393 R HA 0.258 4.599 4.340 0.002 0.000 0.284 393 R C 0.288 175.984 176.300 -1.007 0.000 1.031 393 R CA -0.408 55.102 56.100 -0.983 0.000 0.904 393 R CB 1.411 31.210 30.300 -0.835 0.000 1.199 393 R HN 0.783 nan 8.270 nan 0.000 0.443 394 E N 1.565 121.302 120.200 -0.772 0.000 2.299 394 E HA -0.057 4.294 4.350 0.002 0.000 0.193 394 E C -0.561 175.889 176.600 -0.250 0.000 0.998 394 E CA 0.726 56.914 56.400 -0.353 0.000 0.851 394 E CB 0.327 29.959 29.700 -0.113 0.000 0.795 394 E HN 0.506 nan 8.360 nan 0.000 0.492 395 E N 0.196 120.213 120.200 -0.306 0.000 2.278 395 E HA 0.702 5.054 4.350 0.002 0.000 0.272 395 E C -1.133 175.269 176.600 -0.331 0.000 0.890 395 E CA -0.952 55.304 56.400 -0.240 0.000 0.770 395 E CB 2.070 31.679 29.700 -0.152 0.000 1.212 395 E HN 0.088 nan 8.360 nan 0.000 0.415 396 A N 3.010 125.654 122.820 -0.294 0.000 2.582 396 A HA 0.523 4.844 4.320 0.002 0.000 0.297 396 A C -0.707 176.795 177.584 -0.137 0.000 1.059 396 A CA -1.132 50.705 52.037 -0.333 0.000 0.705 396 A CB 0.841 19.339 19.000 -0.837 0.000 1.279 396 A HN 0.715 nan 8.150 nan 0.000 0.404 397 N N 1.700 120.365 118.700 -0.057 0.000 2.178 397 N HA -0.083 4.658 4.740 0.002 0.000 0.222 397 N C 0.747 176.284 175.510 0.045 0.000 1.350 397 N CA 0.436 53.489 53.050 0.005 0.000 0.874 397 N CB 0.491 38.994 38.487 0.026 0.000 1.086 397 N HN 0.827 nan 8.380 nan 0.000 0.452 398 K N -0.449 119.976 120.400 0.042 0.000 2.283 398 K HA -0.101 4.221 4.320 0.002 0.000 0.202 398 K C 1.646 178.287 176.600 0.068 0.000 1.048 398 K CA 0.923 57.239 56.287 0.049 0.000 0.948 398 K CB 0.087 32.606 32.500 0.033 0.000 0.742 398 K HN 0.514 nan 8.250 nan 0.000 0.458 399 Q N -0.731 119.117 119.800 0.079 0.000 2.269 399 Q HA -0.082 4.259 4.340 0.002 0.000 0.201 399 Q C -0.124 175.936 176.000 0.100 0.000 0.946 399 Q CA 0.255 56.102 55.803 0.075 0.000 0.877 399 Q CB 0.085 28.858 28.738 0.060 0.000 0.963 399 Q HN 0.273 nan 8.270 nan 0.000 0.472 400 Y N 2.725 123.026 120.300 0.002 0.000 2.677 400 Y HA -0.120 4.431 4.550 0.002 0.000 0.335 400 Y C 1.023 176.926 175.900 0.005 0.000 1.162 400 Y CA 0.399 58.498 58.100 -0.000 0.000 1.483 400 Y CB 0.355 38.806 38.460 -0.015 0.000 1.209 400 Y HN -0.010 nan 8.280 nan 0.000 0.528 401 K N 4.118 124.446 120.400 -0.121 0.000 2.352 401 K HA 0.205 4.527 4.320 0.002 0.000 0.194 401 K C 0.711 177.291 176.600 -0.034 0.000 1.038 401 K CA -0.085 56.179 56.287 -0.037 0.000 1.023 401 K CB 0.407 32.876 32.500 -0.052 0.000 0.840 401 K HN 0.494 nan 8.250 nan 0.000 0.519 402 R N 0.640 121.018 120.500 -0.204 0.000 3.074 402 R HA 0.150 4.491 4.340 0.002 0.000 0.193 402 R C -0.069 176.357 176.300 0.209 0.000 0.992 402 R CA -0.774 55.303 56.100 -0.038 0.000 1.177 402 R CB -0.166 30.020 30.300 -0.190 0.000 0.860 402 R HN -0.026 nan 8.270 nan 0.000 0.490 403 L N 1.173 122.552 121.223 0.259 0.000 2.360 403 L HA 0.158 4.499 4.340 0.002 0.000 0.276 403 L C -0.982 175.980 176.870 0.152 0.000 1.121 403 L CA 0.409 55.395 54.840 0.243 0.000 0.845 403 L CB 1.212 43.460 42.059 0.315 0.000 1.143 403 L HN 0.190 nan 8.230 nan 0.000 0.452 404 V N 5.918 125.885 119.914 0.090 0.000 2.495 404 V HA 0.180 4.301 4.120 0.002 0.000 0.298 404 V C 1.003 177.107 176.094 0.018 0.000 1.031 404 V CA -0.868 61.407 62.300 -0.042 0.000 0.871 404 V CB 1.543 33.361 31.823 -0.008 0.000 0.988 404 V HN 0.708 nan 8.190 nan 0.000 0.432 405 L N 3.789 124.996 121.223 -0.026 0.000 2.386 405 L HA -0.105 4.236 4.340 0.002 0.000 0.220 405 L C 1.320 178.244 176.870 0.089 0.000 1.115 405 L CA 2.399 57.295 54.840 0.093 0.000 0.780 405 L CB -0.566 41.523 42.059 0.050 0.000 0.902 405 L HN 0.968 nan 8.230 nan 0.000 0.442 406 G N -1.405 107.428 108.800 0.056 0.000 4.831 406 G HA2 0.398 4.359 3.960 0.002 0.000 0.231 406 G HA3 0.398 4.359 3.960 0.002 0.000 0.231 406 G C -0.376 174.554 174.900 0.050 0.000 1.006 406 G CA -0.256 44.875 45.100 0.052 0.000 0.792 406 G HN 0.108 nan 8.290 nan 0.000 0.546 407 K N 0.202 120.643 120.400 0.068 0.000 2.367 407 K HA 0.755 5.076 4.320 0.002 0.000 0.272 407 K C -1.354 175.295 176.600 0.081 0.000 1.046 407 K CA -0.668 55.660 56.287 0.067 0.000 0.895 407 K CB 1.538 34.079 32.500 0.068 0.000 1.512 407 K HN 0.144 nan 8.250 nan 0.000 0.433 408 E N -0.150 120.096 120.200 0.078 0.000 2.292 408 E HA 0.510 4.861 4.350 0.002 0.000 0.272 408 E C -1.282 175.368 176.600 0.084 0.000 0.881 408 E CA -1.193 55.255 56.400 0.081 0.000 0.754 408 E CB 1.850 31.590 29.700 0.066 0.000 1.201 408 E HN 0.329 nan 8.360 nan 0.000 0.425 409 V N -0.092 119.878 119.914 0.093 0.000 2.540 409 V HA 0.682 4.803 4.120 0.002 0.000 0.302 409 V C -0.336 175.812 176.094 0.090 0.000 1.035 409 V CA -1.182 61.173 62.300 0.091 0.000 0.873 409 V CB 1.691 33.577 31.823 0.105 0.000 0.992 409 V HN 0.613 nan 8.190 nan 0.000 0.428 410 R N 5.079 125.628 120.500 0.082 0.000 2.357 410 R HA 0.390 4.731 4.340 0.002 0.000 0.330 410 R C -0.267 176.102 176.300 0.115 0.000 1.102 410 R CA -0.364 55.784 56.100 0.081 0.000 0.974 410 R CB -1.001 29.334 30.300 0.059 0.000 1.002 410 R HN 0.887 nan 8.270 nan 0.000 0.463 411 L N 4.590 125.887 121.223 0.123 0.000 2.540 411 L HA 0.091 4.432 4.340 0.002 0.000 0.276 411 L C 1.199 178.266 176.870 0.329 0.000 1.212 411 L CA 0.058 55.020 54.840 0.204 0.000 0.893 411 L CB 0.183 42.237 42.059 -0.009 0.000 1.138 411 L HN 0.429 nan 8.230 nan 0.000 0.491 412 R N 3.704 124.491 120.500 0.478 0.000 2.486 412 R HA -0.150 4.192 4.340 0.002 0.000 0.304 412 R C 0.555 177.087 176.300 0.387 0.000 0.913 412 R CA 0.705 57.008 56.100 0.337 0.000 1.124 412 R CB -0.558 29.863 30.300 0.200 0.000 0.891 412 R HN 0.738 nan 8.270 nan 0.000 0.410 413 N N 0.589 119.393 118.700 0.173 0.000 2.696 413 N HA -0.341 4.400 4.740 0.002 0.000 0.249 413 N C -0.201 175.362 175.510 0.088 0.000 1.090 413 N CA 0.782 53.895 53.050 0.104 0.000 0.716 413 N CB -0.264 38.269 38.487 0.077 0.000 1.020 413 N HN 0.752 nan 8.380 nan 0.000 0.548 414 A N -1.057 121.779 122.820 0.026 0.000 3.069 414 A HA 0.616 4.937 4.320 0.002 0.000 0.173 414 A C -1.160 176.095 177.584 -0.549 0.000 0.939 414 A CA -0.421 51.418 52.037 -0.330 0.000 1.472 414 A CB 0.460 19.346 19.000 -0.190 0.000 2.157 414 A HN 0.130 nan 8.150 nan 0.000 0.821 415 Y N -0.690 119.448 120.300 -0.270 0.000 2.534 415 Y HA 0.568 5.120 4.550 0.003 0.000 0.329 415 Y C 0.126 176.000 175.900 -0.044 0.000 1.154 415 Y CA -0.792 57.216 58.100 -0.154 0.000 1.192 415 Y CB 1.512 39.879 38.460 -0.154 0.000 1.275 415 Y HN 0.207 nan 8.280 nan 0.000 0.491 416 V N 4.607 124.628 119.914 0.180 0.000 2.368 416 V HA 0.223 4.344 4.120 0.002 0.000 0.266 416 V C 0.285 176.460 176.094 0.134 0.000 1.045 416 V CA -0.529 61.842 62.300 0.118 0.000 0.899 416 V CB -0.613 31.258 31.823 0.079 0.000 1.006 416 V HN 0.575 nan 8.190 nan 0.000 0.470 417 I N 2.081 122.724 120.570 0.121 0.000 3.640 417 I HA 0.682 4.853 4.170 0.002 0.000 0.288 417 I C -0.031 176.143 176.117 0.096 0.000 1.248 417 I CA -0.881 60.489 61.300 0.117 0.000 0.911 417 I CB 1.122 39.173 38.000 0.085 0.000 1.533 417 I HN 0.458 nan 8.210 nan 0.000 0.686 418 K N 1.558 122.013 120.400 0.092 0.000 2.707 418 K HA 0.470 4.791 4.320 0.002 0.000 0.283 418 K C -1.277 175.381 176.600 0.096 0.000 1.105 418 K CA -0.455 55.886 56.287 0.090 0.000 1.018 418 K CB 1.591 34.135 32.500 0.073 0.000 1.315 418 K HN 0.922 nan 8.250 nan 0.000 0.495 419 A N 3.297 126.189 122.820 0.121 0.000 2.540 419 A HA 0.107 4.428 4.320 0.002 0.000 0.239 419 A C 0.250 177.909 177.584 0.126 0.000 1.061 419 A CA 0.513 52.633 52.037 0.139 0.000 0.758 419 A CB 0.155 19.297 19.000 0.237 0.000 0.991 419 A HN 0.897 nan 8.150 nan 0.000 0.502 420 E N 0.578 120.845 120.200 0.113 0.000 2.702 420 E HA 0.147 4.498 4.350 0.002 0.000 0.225 420 E C 0.617 177.260 176.600 0.071 0.000 0.942 420 E CA -0.113 56.338 56.400 0.085 0.000 1.210 420 E CB 0.739 30.477 29.700 0.064 0.000 1.143 420 E HN 0.669 nan 8.360 nan 0.000 0.544 421 R N -0.223 120.332 120.500 0.092 0.000 3.142 421 R HA 0.679 5.020 4.340 0.002 0.000 0.260 421 R C -1.654 174.706 176.300 0.100 0.000 1.129 421 R CA -0.639 55.492 56.100 0.053 0.000 0.976 421 R CB 1.810 32.078 30.300 -0.054 0.000 1.396 421 R HN -0.048 nan 8.270 nan 0.000 0.434 422 V N -0.769 119.192 119.914 0.078 0.000 3.280 422 V HA 0.385 4.506 4.120 0.002 0.000 0.281 422 V C -2.011 174.132 176.094 0.082 0.000 1.850 422 V CA -0.461 61.888 62.300 0.082 0.000 0.990 422 V CB 2.193 34.063 31.823 0.080 0.000 1.195 422 V HN 0.902 nan 8.190 nan 0.000 0.483 423 E N 0.593 120.841 120.200 0.080 0.000 2.401 423 E HA 0.597 4.948 4.350 0.002 0.000 0.280 423 E C -1.809 174.825 176.600 0.056 0.000 1.039 423 E CA -0.637 55.806 56.400 0.071 0.000 0.814 423 E CB 2.401 32.196 29.700 0.158 0.000 1.275 423 E HN 0.658 nan 8.360 nan 0.000 0.448 424 K N 0.566 120.992 120.400 0.044 0.000 2.213 424 K HA 0.392 4.713 4.320 0.002 0.000 0.254 424 K C -1.082 175.537 176.600 0.033 0.000 1.062 424 K CA -0.665 55.647 56.287 0.041 0.000 0.884 424 K CB 1.199 33.725 32.500 0.043 0.000 1.437 424 K HN 0.613 nan 8.250 nan 0.000 0.464 425 D N -0.942 119.477 120.400 0.031 0.000 2.846 425 D HA 0.326 4.967 4.640 0.002 0.000 0.273 425 D C 0.710 177.023 176.300 0.021 0.000 1.145 425 D CA -0.335 53.680 54.000 0.025 0.000 1.091 425 D CB 0.198 41.014 40.800 0.026 0.000 1.364 425 D HN 0.424 nan 8.370 nan 0.000 0.613 426 A N 0.457 123.288 122.820 0.018 0.000 1.849 426 A HA -0.262 4.059 4.320 0.002 0.000 0.216 426 A C 1.872 179.467 177.584 0.017 0.000 1.225 426 A CA 2.427 54.473 52.037 0.016 0.000 0.653 426 A CB -1.449 17.559 19.000 0.014 0.000 0.844 426 A HN 0.762 nan 8.150 nan 0.000 0.453 427 E N -1.148 119.063 120.200 0.019 0.000 2.455 427 E HA 0.018 4.369 4.350 0.002 0.000 0.202 427 E C 1.084 177.699 176.600 0.024 0.000 1.045 427 E CA 0.681 57.093 56.400 0.020 0.000 0.872 427 E CB -0.406 29.307 29.700 0.021 0.000 0.792 427 E HN 0.982 nan 8.360 nan 0.000 0.542 428 G N 0.486 109.302 108.800 0.027 0.000 2.141 428 G HA2 -0.273 3.688 3.960 0.002 0.000 0.231 428 G HA3 -0.273 3.688 3.960 0.002 0.000 0.231 428 G C -0.379 174.547 174.900 0.044 0.000 0.984 428 G CA 0.192 45.311 45.100 0.032 0.000 0.660 428 G HN 0.340 nan 8.290 nan 0.000 0.525 429 N N -0.092 118.635 118.700 0.044 0.000 2.524 429 N HA 0.607 5.348 4.740 0.002 0.000 0.283 429 N C 0.649 176.193 175.510 0.056 0.000 1.142 429 N CA -0.600 52.484 53.050 0.056 0.000 0.984 429 N CB 1.211 39.728 38.487 0.050 0.000 1.155 429 N HN 0.308 nan 8.380 nan 0.000 0.467 430 I N 0.356 120.966 120.570 0.068 0.000 2.836 430 I HA -0.011 4.160 4.170 0.002 0.000 0.285 430 I C 1.589 177.719 176.117 0.022 0.000 1.174 430 I CA 0.208 61.532 61.300 0.041 0.000 1.405 430 I CB 0.728 38.737 38.000 0.016 0.000 1.385 430 I HN 0.770 nan 8.210 nan 0.000 0.594 431 T N -1.288 113.272 114.554 0.009 0.000 2.955 431 T HA 0.144 4.495 4.350 0.002 0.000 0.251 431 T C 0.474 175.141 174.700 -0.055 0.000 1.002 431 T CA 0.142 62.243 62.100 0.003 0.000 0.970 431 T CB 0.468 69.345 68.868 0.016 0.000 1.091 431 T HN 0.703 nan 8.240 nan 0.000 0.495 432 T N 0.302 114.807 114.554 -0.082 0.000 2.886 432 T HA 0.599 4.950 4.350 0.002 0.000 0.330 432 T C -2.294 172.278 174.700 -0.214 0.000 1.488 432 T CA -0.727 61.240 62.100 -0.221 0.000 1.054 432 T CB 1.470 70.101 68.868 -0.394 0.000 1.348 432 T HN 0.085 nan 8.240 nan 0.000 0.489 433 I N 4.524 124.884 120.570 -0.351 0.000 2.502 433 I HA 0.433 4.605 4.170 0.002 0.000 0.276 433 I C -0.713 175.285 176.117 -0.199 0.000 1.057 433 I CA -0.388 60.738 61.300 -0.289 0.000 1.163 433 I CB 0.384 38.084 38.000 -0.500 0.000 1.288 433 I HN 0.503 nan 8.210 nan 0.000 0.479 434 F N 4.600 124.463 119.950 -0.145 0.000 2.543 434 F HA 0.381 4.909 4.527 0.002 0.000 0.375 434 F C 0.758 176.520 175.800 -0.063 0.000 1.075 434 F CA -0.115 57.826 58.000 -0.099 0.000 1.225 434 F CB 0.283 39.238 39.000 -0.075 0.000 1.099 434 F HN 0.335 nan 8.300 nan 0.000 0.561 435 C N 0.594 119.943 119.300 0.083 0.000 3.291 435 C HA 0.762 5.223 4.460 0.002 0.000 0.316 435 C C -0.226 174.811 174.990 0.079 0.000 1.391 435 C CA -1.118 57.945 59.018 0.075 0.000 1.394 435 C CB 1.963 29.728 27.740 0.042 0.000 1.744 435 C HN 0.865 nan 8.230 nan 0.000 0.461 436 T N -0.597 114.017 114.554 0.099 0.000 2.829 436 T HA 0.670 5.021 4.350 0.002 0.000 0.280 436 T C -0.873 173.937 174.700 0.183 0.000 0.999 436 T CA -0.344 61.841 62.100 0.141 0.000 0.983 436 T CB 1.101 70.030 68.868 0.101 0.000 0.968 436 T HN 0.894 nan 8.240 nan 0.000 0.446 437 Y N 0.897 121.190 120.300 -0.012 0.000 2.354 437 Y HA 0.640 5.191 4.550 0.002 0.000 0.322 437 Y C 0.108 175.986 175.900 -0.038 0.000 1.253 437 Y CA -1.891 56.186 58.100 -0.037 0.000 1.272 437 Y CB 0.459 38.849 38.460 -0.117 0.000 1.255 437 Y HN 0.738 nan 8.280 nan 0.000 0.500 438 D N 0.678 121.007 120.400 -0.118 0.000 2.398 438 D HA 0.367 5.009 4.640 0.002 0.000 0.247 438 D C 0.317 176.354 176.300 -0.438 0.000 1.227 438 D CA 0.516 54.403 54.000 -0.189 0.000 0.980 438 D CB 2.013 42.796 40.800 -0.028 0.000 1.106 438 D HN 0.793 nan 8.370 nan 0.000 0.493 439 A N 0.551 123.202 122.820 -0.282 0.000 1.909 439 A HA 0.011 4.332 4.320 0.002 0.000 0.210 439 A C 0.936 178.489 177.584 -0.052 0.000 1.273 439 A CA 0.567 52.439 52.037 -0.274 0.000 0.654 439 A CB 0.145 19.025 19.000 -0.200 0.000 0.945 439 A HN 0.521 nan 8.150 nan 0.000 0.471 440 D N 0.807 121.199 120.400 -0.014 0.000 2.795 440 D HA 0.257 4.898 4.640 0.002 0.000 0.335 440 D C -0.740 175.571 176.300 0.018 0.000 1.262 440 D CA 0.093 54.108 54.000 0.024 0.000 0.885 440 D CB -0.044 40.757 40.800 0.000 0.000 1.047 440 D HN 0.198 nan 8.370 nan 0.000 0.500 441 T N 0.597 115.177 114.554 0.044 0.000 3.332 441 T HA 0.588 4.940 4.350 0.002 0.000 0.385 441 T C 0.289 174.952 174.700 -0.061 0.000 1.695 441 T CA -0.702 61.402 62.100 0.008 0.000 1.397 441 T CB -0.387 68.502 68.868 0.035 0.000 1.100 441 T HN 0.320 nan 8.240 nan 0.000 0.669 455 V N 0.657 120.599 119.914 0.047 0.000 2.732 455 V HA 0.842 4.964 4.120 0.002 0.000 0.310 455 V C 0.511 176.658 176.094 0.088 0.000 1.053 455 V CA -0.419 61.925 62.300 0.073 0.000 0.957 455 V CB 1.238 33.101 31.823 0.068 0.000 1.018 455 V HN 1.075 nan 8.190 nan 0.000 0.452 456 I N 0.240 120.892 120.570 0.136 0.000 3.352 456 I HA 0.781 4.952 4.170 0.002 0.000 0.316 456 I C -0.741 175.528 176.117 0.254 0.000 1.214 456 I CA -1.002 60.393 61.300 0.159 0.000 0.934 456 I CB 2.437 40.493 38.000 0.094 0.000 1.310 456 I HN 0.878 nan 8.210 nan 0.000 0.475 457 H N -0.775 118.380 119.070 0.141 0.000 2.771 457 H HA 0.855 5.413 4.556 0.002 0.000 0.344 457 H C -1.216 174.258 175.328 0.243 0.000 1.260 457 H CA -0.595 55.514 56.048 0.102 0.000 1.276 457 H CB 1.520 31.241 29.762 -0.068 0.000 1.881 457 H HN 0.911 nan 8.280 nan 0.000 0.615 458 W N -2.097 119.234 121.300 0.052 0.000 2.791 458 W HA 0.551 5.212 4.660 0.001 0.000 0.419 458 W C -2.599 173.938 176.519 0.030 0.000 1.082 458 W CA -1.041 56.303 57.345 -0.003 0.000 1.154 458 W CB 0.470 29.933 29.460 0.005 0.000 1.472 458 W HN 0.630 nan 8.180 nan 0.000 0.584 459 V N 1.864 122.025 119.914 0.413 0.000 2.697 459 V HA 0.158 4.279 4.120 0.002 0.000 0.296 459 V C 0.132 176.494 176.094 0.447 0.000 1.140 459 V CA -0.515 61.950 62.300 0.275 0.000 0.921 459 V CB 1.356 33.269 31.823 0.149 0.000 1.036 459 V HN 0.641 nan 8.190 nan 0.000 0.438 460 S N 4.066 120.023 115.700 0.428 0.000 2.629 460 S HA 0.214 4.685 4.470 0.002 0.000 0.302 460 S C 1.623 176.247 174.600 0.041 0.000 1.244 460 S CA 0.364 58.648 58.200 0.139 0.000 1.098 460 S CB 0.904 64.228 63.200 0.206 0.000 0.858 460 S HN 1.330 nan 8.310 nan 0.000 0.502 461 A N 5.820 128.448 122.820 -0.319 0.000 1.958 461 A HA -0.039 4.282 4.320 0.002 0.000 0.221 461 A C 2.385 179.834 177.584 -0.226 0.000 1.178 461 A CA 2.180 53.853 52.037 -0.606 0.000 0.642 461 A CB -1.405 16.796 19.000 -1.332 0.000 0.816 461 A HN 1.252 nan 8.150 nan 0.000 0.453 462 A N -0.349 122.325 122.820 -0.244 0.000 1.825 462 A HA -0.113 4.208 4.320 0.002 0.000 0.214 462 A C 1.669 179.131 177.584 -0.203 0.000 1.206 462 A CA 1.536 53.406 52.037 -0.278 0.000 0.609 462 A CB -1.013 17.717 19.000 -0.450 0.000 0.851 462 A HN 0.667 nan 8.150 nan 0.000 0.445 463 H N 0.093 119.158 119.070 -0.009 0.000 2.669 463 H HA 0.550 5.108 4.556 0.002 0.000 0.297 463 H C 0.493 175.859 175.328 0.063 0.000 1.071 463 H CA 0.055 56.120 56.048 0.028 0.000 1.182 463 H CB -0.599 29.178 29.762 0.025 0.000 1.343 463 H HN 0.508 nan 8.280 nan 0.000 0.582 464 A N 1.130 124.069 122.820 0.199 0.000 2.363 464 A HA 0.348 4.669 4.320 0.002 0.000 0.270 464 A C -0.264 177.472 177.584 0.253 0.000 1.121 464 A CA -0.588 51.614 52.037 0.274 0.000 0.800 464 A CB 0.192 19.472 19.000 0.466 0.000 1.052 464 A HN 0.347 nan 8.150 nan 0.000 0.493 465 L N 4.940 126.247 121.223 0.141 0.000 2.257 465 L HA 0.489 4.830 4.340 0.002 0.000 0.290 465 L C -2.454 174.383 176.870 -0.056 0.000 1.044 465 L CA -2.038 52.826 54.840 0.040 0.000 0.810 465 L CB 1.039 43.073 42.059 -0.042 0.000 1.193 465 L HN 0.310 nan 8.230 nan 0.000 0.425 466 P HA 0.131 nan 4.420 nan 0.000 0.269 466 P C -1.275 175.825 177.300 -0.334 0.000 1.252 466 P CA 0.226 63.065 63.100 -0.436 0.000 0.780 466 P CB 0.651 32.211 31.700 -0.233 0.000 0.829 467 V N 3.537 123.193 119.914 -0.431 0.000 2.588 467 V HA 0.305 4.426 4.120 0.002 0.000 0.304 467 V C 0.250 176.228 176.094 -0.193 0.000 1.042 467 V CA -0.865 61.298 62.300 -0.229 0.000 0.877 467 V CB 2.006 33.658 31.823 -0.284 0.000 0.996 467 V HN 0.404 nan 8.190 nan 0.000 0.425 468 E N 4.017 124.185 120.200 -0.054 0.000 2.331 468 E HA 0.552 4.903 4.350 0.002 0.000 0.272 468 E C -1.268 175.366 176.600 0.057 0.000 1.036 468 E CA -0.371 56.008 56.400 -0.036 0.000 0.864 468 E CB 1.062 30.755 29.700 -0.011 0.000 1.035 468 E HN 0.616 nan 8.360 nan 0.000 0.408 469 I N 4.295 124.885 120.570 0.034 0.000 2.533 469 I HA 0.326 4.498 4.170 0.002 0.000 0.290 469 I C -0.444 175.699 176.117 0.044 0.000 1.056 469 I CA -0.836 60.543 61.300 0.131 0.000 1.057 469 I CB 1.862 39.953 38.000 0.151 0.000 1.240 469 I HN 0.474 nan 8.210 nan 0.000 0.423 470 R N 7.039 127.552 120.500 0.023 0.000 2.239 470 R HA 0.530 4.871 4.340 0.002 0.000 0.332 470 R C -1.138 174.909 176.300 -0.421 0.000 0.988 470 R CA -0.724 55.219 56.100 -0.263 0.000 0.859 470 R CB 1.153 31.254 30.300 -0.332 0.000 1.148 470 R HN 0.486 nan 8.270 nan 0.000 0.482 471 L N 4.536 125.551 121.223 -0.346 0.000 2.260 471 L HA 0.342 4.683 4.340 0.002 0.000 0.289 471 L C -0.519 176.127 176.870 -0.373 0.000 1.057 471 L CA -0.528 54.163 54.840 -0.249 0.000 0.811 471 L CB 0.010 42.016 42.059 -0.089 0.000 1.184 471 L HN 0.402 nan 8.230 nan 0.000 0.429 472 Y N 1.525 121.791 120.300 -0.056 0.000 2.453 472 Y HA 0.545 5.096 4.550 0.002 0.000 0.326 472 Y C 0.115 175.979 175.900 -0.060 0.000 1.186 472 Y CA -0.580 57.486 58.100 -0.056 0.000 1.200 472 Y CB 1.569 39.994 38.460 -0.059 0.000 1.247 472 Y HN 0.467 nan 8.280 nan 0.000 0.482 473 D N -0.258 120.215 120.400 0.121 0.000 2.602 473 D HA 0.255 4.897 4.640 0.002 0.000 0.236 473 D C -1.267 175.031 176.300 -0.004 0.000 1.209 473 D CA -1.025 52.989 54.000 0.023 0.000 0.831 473 D CB 1.336 42.123 40.800 -0.021 0.000 1.478 473 D HN 0.566 nan 8.370 nan 0.000 0.438 474 R N 2.029 122.495 120.500 -0.057 0.000 2.481 474 R HA -0.009 4.332 4.340 0.002 0.000 0.291 474 R C 1.103 177.372 176.300 -0.053 0.000 0.934 474 R CA -0.082 55.986 56.100 -0.053 0.000 1.116 474 R CB 0.193 30.402 30.300 -0.152 0.000 0.895 474 R HN 0.513 nan 8.270 nan 0.000 0.410 475 L N 1.973 123.152 121.223 -0.072 0.000 2.013 475 L HA -0.101 4.240 4.340 0.002 0.000 0.212 475 L C 0.330 176.968 176.870 -0.388 0.000 1.073 475 L CA 1.517 56.194 54.840 -0.272 0.000 0.753 475 L CB 0.009 41.817 42.059 -0.418 0.000 0.890 475 L HN 0.561 nan 8.230 nan 0.000 0.432 476 F N -1.820 118.189 119.950 0.098 0.000 2.422 476 F HA 0.122 4.650 4.527 0.002 0.000 0.333 476 F C 1.333 177.239 175.800 0.177 0.000 1.095 476 F CA -0.168 57.908 58.000 0.127 0.000 1.038 476 F CB 1.512 40.605 39.000 0.154 0.000 1.156 476 F HN -0.246 nan 8.300 nan 0.000 0.483 477 S N 1.628 117.523 115.700 0.325 0.000 2.474 477 S HA -0.007 4.464 4.470 0.002 0.000 0.235 477 S C 0.226 175.033 174.600 0.345 0.000 0.997 477 S CA 0.703 59.043 58.200 0.233 0.000 0.949 477 S CB -0.429 62.861 63.200 0.149 0.000 0.766 477 S HN 0.417 nan 8.310 nan 0.000 0.517 478 V N -2.098 118.042 119.914 0.377 0.000 2.604 478 V HA 0.573 4.694 4.120 0.002 0.000 0.305 478 V C -1.947 174.125 176.094 -0.036 0.000 1.043 478 V CA -2.331 60.104 62.300 0.225 0.000 0.888 478 V CB 1.242 33.115 31.823 0.083 0.000 0.995 478 V HN -0.124 nan 8.190 nan 0.000 0.429 479 P HA -0.200 nan 4.420 nan 0.000 0.219 479 P C 0.529 177.545 177.300 -0.474 0.000 1.153 479 P CA 1.995 64.498 63.100 -0.994 0.000 0.865 479 P CB 0.082 31.469 31.700 -0.522 0.000 0.788 480 N N -2.205 116.344 118.700 -0.252 0.000 2.765 480 N HA 0.121 4.862 4.740 0.002 0.000 0.277 480 N C -1.819 173.594 175.510 -0.161 0.000 1.750 480 N CA -2.315 50.627 53.050 -0.180 0.000 0.827 480 N CB -0.011 38.389 38.487 -0.144 0.000 1.200 480 N HN -0.053 nan 8.380 nan 0.000 0.494 481 P HA -0.085 nan 4.420 nan 0.000 0.220 481 P C 1.344 178.474 177.300 -0.284 0.000 1.144 481 P CA 0.905 63.841 63.100 -0.273 0.000 0.800 481 P CB 0.160 31.492 31.700 -0.614 0.000 0.772 482 G N 1.202 109.836 108.800 -0.277 0.000 2.459 482 G HA2 -0.237 3.724 3.960 0.002 0.000 0.217 482 G HA3 -0.237 3.724 3.960 0.002 0.000 0.217 482 G C 1.752 176.539 174.900 -0.187 0.000 1.183 482 G CA 1.008 45.944 45.100 -0.273 0.000 0.776 482 G HN 0.396 nan 8.290 nan 0.000 0.552 483 A N 0.361 123.097 122.820 -0.140 0.000 2.248 483 A HA 0.621 4.942 4.320 0.002 0.000 0.210 483 A C 1.562 179.102 177.584 -0.074 0.000 1.174 483 A CA 1.097 53.075 52.037 -0.099 0.000 0.750 483 A CB -0.493 18.456 19.000 -0.084 0.000 0.780 483 A HN 0.805 nan 8.150 nan 0.000 0.478 484 A N -0.351 122.425 122.820 -0.074 0.000 2.346 484 A HA 0.327 4.648 4.320 0.002 0.000 0.252 484 A C 0.892 178.469 177.584 -0.012 0.000 1.089 484 A CA 0.064 52.079 52.037 -0.036 0.000 0.797 484 A CB 0.264 19.247 19.000 -0.028 0.000 1.047 484 A HN 0.383 nan 8.150 nan 0.000 0.494 485 D N -0.459 119.942 120.400 0.001 0.000 2.084 485 D HA -0.097 4.544 4.640 0.002 0.000 0.194 485 D C -0.288 176.037 176.300 0.042 0.000 0.990 485 D CA 1.709 55.717 54.000 0.012 0.000 0.826 485 D CB 0.216 41.020 40.800 0.007 0.000 0.971 485 D HN 0.605 nan 8.370 nan 0.000 0.453 486 D N -0.339 120.088 120.400 0.046 0.000 2.375 486 D HA 0.026 4.667 4.640 0.002 0.000 0.259 486 D C 0.941 177.282 176.300 0.069 0.000 1.235 486 D CA -0.659 53.380 54.000 0.065 0.000 0.924 486 D CB 0.228 41.029 40.800 0.002 0.000 1.143 486 D HN -0.115 nan 8.370 nan 0.000 0.529 487 F N 2.761 122.648 119.950 -0.105 0.000 2.184 487 F HA -0.149 4.379 4.527 0.002 0.000 0.301 487 F C 1.261 177.057 175.800 -0.007 0.000 1.076 487 F CA 0.860 58.742 58.000 -0.196 0.000 1.295 487 F CB -0.818 37.952 39.000 -0.384 0.000 1.026 487 F HN 0.311 nan 8.300 nan 0.000 0.494 488 L N 0.916 121.791 121.223 -0.580 0.000 2.083 488 L HA -0.176 4.165 4.340 0.002 0.000 0.209 488 L C 2.714 179.463 176.870 -0.202 0.000 1.083 488 L CA 1.681 56.238 54.840 -0.471 0.000 0.752 488 L CB -1.005 40.710 42.059 -0.572 0.000 0.899 488 L HN 0.490 nan 8.230 nan 0.000 0.433 489 S N -1.551 114.073 115.700 -0.127 0.000 2.595 489 S HA -0.075 4.396 4.470 0.002 0.000 0.235 489 S C 1.255 175.859 174.600 0.006 0.000 0.974 489 S CA 0.415 58.578 58.200 -0.063 0.000 0.942 489 S CB 0.090 63.266 63.200 -0.040 0.000 0.766 489 S HN 0.236 nan 8.310 nan 0.000 0.536 490 V N 1.209 121.173 119.914 0.082 0.000 3.070 490 V HA 0.445 4.566 4.120 0.002 0.000 0.345 490 V C -0.049 176.231 176.094 0.310 0.000 1.403 490 V CA -0.719 61.677 62.300 0.160 0.000 1.155 490 V CB -0.212 31.688 31.823 0.129 0.000 1.140 490 V HN 0.464 nan 8.190 nan 0.000 0.505 491 I N 2.209 122.906 120.570 0.211 0.000 2.692 491 I HA 0.080 4.251 4.170 0.002 0.000 0.284 491 I C 0.585 176.685 176.117 -0.029 0.000 1.159 491 I CA 0.304 61.601 61.300 -0.005 0.000 1.423 491 I CB 0.411 38.298 38.000 -0.189 0.000 1.380 491 I HN 0.286 nan 8.210 nan 0.000 0.580 492 N N 9.096 127.749 118.700 -0.079 0.000 2.401 492 N HA 0.139 4.880 4.740 0.002 0.000 0.255 492 N C -1.541 173.930 175.510 -0.065 0.000 1.110 492 N CA -2.205 50.819 53.050 -0.044 0.000 0.949 492 N CB 1.045 39.506 38.487 -0.045 0.000 1.110 492 N HN 0.296 nan 8.380 nan 0.000 0.490 493 P HA -0.096 nan 4.420 nan 0.000 0.225 493 P C -0.212 177.064 177.300 -0.040 0.000 1.148 493 P CA 1.193 64.267 63.100 -0.043 0.000 0.779 493 P CB 0.433 32.115 31.700 -0.030 0.000 0.780 494 E N -0.112 120.065 120.200 -0.038 0.000 2.451 494 E HA 0.068 4.419 4.350 0.002 0.000 0.194 494 E C 1.505 178.082 176.600 -0.038 0.000 1.027 494 E CA 0.108 56.486 56.400 -0.038 0.000 0.914 494 E CB 0.058 29.740 29.700 -0.031 0.000 1.054 494 E HN 0.362 nan 8.360 nan 0.000 0.461 495 S N 0.521 116.198 115.700 -0.039 0.000 2.419 495 S HA -0.097 4.374 4.470 0.002 0.000 0.233 495 S C 0.798 175.424 174.600 0.043 0.000 1.016 495 S CA 0.389 58.581 58.200 -0.013 0.000 0.974 495 S CB -0.047 63.123 63.200 -0.050 0.000 0.786 495 S HN 0.203 nan 8.310 nan 0.000 0.492 496 L N 0.977 122.192 121.223 -0.012 0.000 2.410 496 L HA 0.770 5.111 4.340 0.002 0.000 0.270 496 L C -1.172 175.618 176.870 -0.133 0.000 0.983 496 L CA -1.009 53.770 54.840 -0.102 0.000 0.822 496 L CB 2.302 44.335 42.059 -0.045 0.000 1.285 496 L HN 0.052 nan 8.230 nan 0.000 0.409 497 V N 6.640 126.438 119.914 -0.194 0.000 2.462 497 V HA 0.546 4.667 4.120 0.002 0.000 0.288 497 V C -0.658 175.347 176.094 -0.148 0.000 1.020 497 V CA -0.399 61.823 62.300 -0.130 0.000 0.857 497 V CB 1.422 33.195 31.823 -0.083 0.000 1.013 497 V HN 0.699 nan 8.190 nan 0.000 0.431 498 I N 7.525 128.020 120.570 -0.124 0.000 2.347 498 I HA 0.366 4.537 4.170 0.002 0.000 0.294 498 I C 0.567 176.637 176.117 -0.078 0.000 1.090 498 I CA -0.140 61.094 61.300 -0.110 0.000 1.314 498 I CB 0.309 38.248 38.000 -0.102 0.000 1.423 498 I HN 0.493 nan 8.210 nan 0.000 0.503 499 K N 5.258 125.620 120.400 -0.064 0.000 2.148 499 K HA 0.467 4.788 4.320 0.002 0.000 0.239 499 K C -0.226 176.322 176.600 -0.087 0.000 1.018 499 K CA -0.679 55.572 56.287 -0.059 0.000 0.923 499 K CB 1.037 33.517 32.500 -0.033 0.000 1.117 499 K HN 0.382 nan 8.250 nan 0.000 0.477 500 Q N 0.357 120.083 119.800 -0.123 0.000 2.414 500 Q HA 0.429 4.770 4.340 0.002 0.000 0.256 500 Q C -0.284 175.545 176.000 -0.286 0.000 0.974 500 Q CA -0.390 55.290 55.803 -0.206 0.000 0.723 500 Q CB 1.836 30.468 28.738 -0.178 0.000 1.281 500 Q HN 0.869 nan 8.270 nan 0.000 0.470 501 G N 0.776 109.350 108.800 -0.376 0.000 3.251 501 G HA2 0.841 4.802 3.960 0.002 0.000 0.248 501 G HA3 0.841 4.802 3.960 0.002 0.000 0.248 501 G C -1.273 173.193 174.900 -0.723 0.000 1.320 501 G CA -0.434 44.432 45.100 -0.391 0.000 0.982 501 G HN 0.275 nan 8.290 nan 0.000 0.575 502 F N -0.333 119.366 119.950 -0.418 0.000 2.556 502 F HA 0.713 5.240 4.527 0.002 0.000 0.314 502 F C 0.406 175.990 175.800 -0.361 0.000 1.106 502 F CA -0.621 57.158 58.000 -0.368 0.000 0.911 502 F CB 2.706 41.416 39.000 -0.482 0.000 1.190 502 F HN 0.657 nan 8.300 nan 0.000 0.448 503 A N 1.831 124.516 122.820 -0.225 0.000 2.413 503 A HA 0.671 4.992 4.320 0.002 0.000 0.307 503 A C -0.663 176.774 177.584 -0.246 0.000 1.087 503 A CA -0.864 50.934 52.037 -0.399 0.000 0.750 503 A CB 0.961 19.546 19.000 -0.691 0.000 1.296 503 A HN 0.831 nan 8.150 nan 0.000 0.423 504 E N 1.915 121.931 120.200 -0.306 0.000 2.461 504 E HA 0.056 4.407 4.350 0.002 0.000 0.263 504 E C -1.711 174.801 176.600 -0.147 0.000 1.143 504 E CA -0.665 55.609 56.400 -0.210 0.000 0.994 504 E CB 0.258 29.786 29.700 -0.287 0.000 0.973 504 E HN 0.356 nan 8.360 nan 0.000 0.457 505 P HA -0.212 nan 4.420 nan 0.000 0.223 505 P C 1.554 178.821 177.300 -0.055 0.000 1.151 505 P CA 1.455 64.536 63.100 -0.031 0.000 0.787 505 P CB 0.106 31.820 31.700 0.022 0.000 0.788 506 S N 0.827 116.475 115.700 -0.088 0.000 2.365 506 S HA -0.163 4.308 4.470 0.002 0.000 0.225 506 S C 1.946 176.487 174.600 -0.098 0.000 1.039 506 S CA 1.106 59.261 58.200 -0.076 0.000 1.033 506 S CB -1.336 61.812 63.200 -0.086 0.000 0.887 506 S HN -0.063 nan 8.310 nan 0.000 0.447 507 L N 1.774 122.882 121.223 -0.192 0.000 2.556 507 L HA -0.032 4.309 4.340 0.002 0.000 0.230 507 L C 2.375 179.255 176.870 0.017 0.000 1.163 507 L CA 1.654 56.385 54.840 -0.181 0.000 0.819 507 L CB -1.714 40.150 42.059 -0.325 0.000 0.939 507 L HN 0.516 nan 8.230 nan 0.000 0.452 508 K N 0.629 121.032 120.400 0.005 0.000 2.097 508 K HA -0.148 4.173 4.320 0.002 0.000 0.206 508 K C 0.830 177.475 176.600 0.075 0.000 1.049 508 K CA 1.316 57.633 56.287 0.050 0.000 0.933 508 K CB 0.002 32.523 32.500 0.035 0.000 0.717 508 K HN 0.160 nan 8.250 nan 0.000 0.442 509 D N 0.738 121.181 120.400 0.073 0.000 2.722 509 D HA 0.159 4.800 4.640 0.002 0.000 0.239 509 D C -0.992 175.416 176.300 0.179 0.000 1.249 509 D CA 0.086 54.150 54.000 0.107 0.000 0.830 509 D CB 0.353 41.210 40.800 0.095 0.000 1.025 509 D HN 0.291 nan 8.370 nan 0.000 0.486 510 A N 0.949 123.888 122.820 0.199 0.000 2.395 510 A HA 0.353 4.675 4.320 0.002 0.000 0.286 510 A C 0.648 178.371 177.584 0.232 0.000 1.193 510 A CA -0.533 51.725 52.037 0.369 0.000 0.852 510 A CB 0.162 19.335 19.000 0.288 0.000 1.118 510 A HN 0.131 nan 8.150 nan 0.000 0.524 511 V N 1.653 121.705 119.914 0.230 0.000 2.432 511 V HA 0.611 4.732 4.120 0.002 0.000 0.271 511 V C 0.813 176.950 176.094 0.070 0.000 1.046 511 V CA -0.600 61.767 62.300 0.111 0.000 0.945 511 V CB 0.203 32.078 31.823 0.085 0.000 0.992 511 V HN 1.298 nan 8.190 nan 0.000 0.471 512 A N 4.198 127.039 122.820 0.034 0.000 2.515 512 A HA 0.507 4.829 4.320 0.002 0.000 0.276 512 A C 1.376 178.968 177.584 0.014 0.000 1.104 512 A CA 0.951 52.992 52.037 0.007 0.000 0.822 512 A CB -1.035 17.968 19.000 0.004 0.000 1.016 512 A HN 2.225 nan 8.150 nan 0.000 0.530 513 G N 2.067 110.866 108.800 -0.001 0.000 3.620 513 G HA2 -0.037 3.925 3.960 0.002 0.000 0.112 513 G HA3 -0.037 3.925 3.960 0.002 0.000 0.112 513 G C 0.360 175.225 174.900 -0.058 0.000 2.274 513 G CA 0.025 45.124 45.100 -0.002 0.000 1.052 513 G HN 0.835 nan 8.290 nan 0.000 0.298 514 K N 1.569 121.889 120.400 -0.134 0.000 2.440 514 K HA 0.551 4.872 4.320 0.002 0.000 0.270 514 K C -0.081 176.300 176.600 -0.365 0.000 0.980 514 K CA 0.575 56.693 56.287 -0.283 0.000 0.953 514 K CB 0.730 32.965 32.500 -0.442 0.000 0.925 514 K HN 0.674 nan 8.250 nan 0.000 0.497 515 A N 4.229 126.862 122.820 -0.311 0.000 2.291 515 A HA 0.497 4.818 4.320 0.002 0.000 0.311 515 A C -1.061 176.441 177.584 -0.136 0.000 1.224 515 A CA -0.812 51.138 52.037 -0.144 0.000 0.821 515 A CB 0.169 19.142 19.000 -0.044 0.000 1.172 515 A HN 0.576 nan 8.150 nan 0.000 0.494 516 F N 0.475 120.545 119.950 0.201 0.000 2.362 516 F HA 0.485 5.012 4.527 0.002 0.000 0.311 516 F C 1.131 177.059 175.800 0.212 0.000 1.161 516 F CA -0.301 57.845 58.000 0.244 0.000 1.085 516 F CB 0.901 40.127 39.000 0.376 0.000 1.311 516 F HN 0.513 nan 8.300 nan 0.000 0.524 517 Q N 1.640 121.682 119.800 0.404 0.000 2.523 517 Q HA 0.246 4.588 4.340 0.002 0.000 0.251 517 Q C -1.618 174.492 176.000 0.184 0.000 1.033 517 Q CA -0.615 55.283 55.803 0.159 0.000 0.746 517 Q CB 0.336 29.087 28.738 0.022 0.000 1.189 517 Q HN 0.406 nan 8.270 nan 0.000 0.508 518 F N 2.369 122.265 119.950 -0.091 0.000 2.518 518 F HA 0.054 4.581 4.527 0.001 0.000 0.375 518 F C 1.070 176.668 175.800 -0.335 0.000 1.097 518 F CA -0.288 57.511 58.000 -0.334 0.000 1.108 518 F CB -0.431 38.142 39.000 -0.712 0.000 1.078 518 F HN 0.529 nan 8.300 nan 0.000 0.564 519 E N 3.813 123.928 120.200 -0.142 0.000 2.760 519 E HA -0.152 4.199 4.350 0.002 0.000 0.268 519 E C 0.810 177.204 176.600 -0.344 0.000 0.935 519 E CA 0.756 57.022 56.400 -0.223 0.000 0.960 519 E CB 0.264 29.838 29.700 -0.210 0.000 0.931 519 E HN 0.588 nan 8.360 nan 0.000 0.483 520 R N 1.767 122.134 120.500 -0.222 0.000 4.023 520 R HA -0.279 4.062 4.340 0.002 0.000 0.368 520 R C 0.350 176.562 176.300 -0.146 0.000 1.187 520 R CA 1.408 57.406 56.100 -0.169 0.000 1.089 520 R CB -1.174 29.055 30.300 -0.118 0.000 1.574 520 R HN 0.567 nan 8.270 nan 0.000 0.564 521 E N -0.364 119.752 120.200 -0.141 0.000 2.476 521 E HA 0.304 4.655 4.350 0.002 0.000 0.193 521 E C 1.109 177.779 176.600 0.117 0.000 0.966 521 E CA 1.379 57.786 56.400 0.012 0.000 1.114 521 E CB 0.698 30.414 29.700 0.027 0.000 1.151 521 E HN 0.400 nan 8.360 nan 0.000 0.487 522 G N -0.456 108.460 108.800 0.192 0.000 2.341 522 G HA2 0.343 4.304 3.960 0.002 0.000 0.299 522 G HA3 0.343 4.304 3.960 0.002 0.000 0.299 522 G C -1.902 172.997 174.900 -0.002 0.000 1.274 522 G CA -0.885 44.256 45.100 0.068 0.000 0.853 522 G HN -0.002 nan 8.290 nan 0.000 0.493 523 Y N -0.173 120.150 120.300 0.038 0.000 2.328 523 Y HA 0.741 5.291 4.550 0.001 0.000 0.337 523 Y C -0.243 175.565 175.900 -0.153 0.000 1.008 523 Y CA -0.292 57.822 58.100 0.023 0.000 1.129 523 Y CB 1.461 39.874 38.460 -0.078 0.000 1.185 523 Y HN 0.348 nan 8.280 nan 0.000 0.476 524 F N 1.692 121.514 119.950 -0.213 0.000 2.598 524 F HA 0.742 5.270 4.527 0.001 0.000 0.327 524 F C -0.169 175.626 175.800 -0.008 0.000 1.057 524 F CA -1.629 56.222 58.000 -0.248 0.000 0.957 524 F CB 1.565 40.073 39.000 -0.819 0.000 1.278 524 F HN 0.566 nan 8.300 nan 0.000 0.484 525 C N 0.742 120.174 119.300 0.219 0.000 3.086 525 C HA 0.778 5.239 4.460 0.002 0.000 0.311 525 C C -1.068 173.930 174.990 0.013 0.000 1.260 525 C CA -1.186 57.906 59.018 0.123 0.000 1.426 525 C CB 0.840 28.597 27.740 0.027 0.000 1.826 525 C HN 0.845 nan 8.230 nan 0.000 0.474 526 L N 2.642 123.751 121.223 -0.191 0.000 2.361 526 L HA 0.364 4.705 4.340 0.002 0.000 0.278 526 L C 0.236 177.046 176.870 -0.100 0.000 1.113 526 L CA 0.830 55.442 54.840 -0.381 0.000 0.849 526 L CB -0.008 41.801 42.059 -0.418 0.000 1.155 526 L HN 0.849 nan 8.230 nan 0.000 0.452 527 D N 2.699 123.088 120.400 -0.019 0.000 2.363 527 D HA -0.045 4.596 4.640 0.002 0.000 0.263 527 D C 0.484 176.804 176.300 0.032 0.000 1.258 527 D CA 0.552 54.587 54.000 0.058 0.000 0.907 527 D CB 0.861 41.751 40.800 0.151 0.000 1.107 527 D HN 0.534 nan 8.370 nan 0.000 0.495 528 S N 3.362 119.068 115.700 0.010 0.000 2.768 528 S HA 0.120 4.591 4.470 0.002 0.000 0.246 528 S C 1.291 175.876 174.600 -0.024 0.000 1.006 528 S CA -0.255 57.943 58.200 -0.003 0.000 1.075 528 S CB -0.171 63.026 63.200 -0.004 0.000 0.786 528 S HN 0.329 nan 8.310 nan 0.000 0.468 529 R N -0.421 120.056 120.500 -0.037 0.000 2.344 529 R HA 0.356 4.697 4.340 0.002 0.000 0.209 529 R C 1.310 177.425 176.300 -0.308 0.000 0.886 529 R CA 0.601 56.601 56.100 -0.167 0.000 1.040 529 R CB 0.139 30.316 30.300 -0.206 0.000 1.114 529 R HN 0.407 nan 8.270 nan 0.000 0.547 530 H N -1.593 117.495 119.070 0.030 0.000 2.926 530 H HA 0.274 4.831 4.556 0.002 0.000 0.249 530 H C 0.025 175.369 175.328 0.027 0.000 0.963 530 H CA 0.578 56.644 56.048 0.030 0.000 1.158 530 H CB 0.267 30.051 29.762 0.036 0.000 1.445 530 H HN 0.047 nan 8.280 nan 0.000 0.452 531 S N 2.610 118.392 115.700 0.137 0.000 2.593 531 S HA 0.082 4.554 4.470 0.002 0.000 0.300 531 S C 0.874 175.512 174.600 0.065 0.000 1.267 531 S CA 0.084 58.336 58.200 0.088 0.000 1.065 531 S CB 0.560 63.788 63.200 0.046 0.000 0.807 531 S HN 0.446 nan 8.310 nan 0.000 0.499 532 T N -1.032 113.560 114.554 0.063 0.000 2.938 532 T HA 0.768 5.119 4.350 0.002 0.000 0.285 532 T C 1.377 176.106 174.700 0.048 0.000 1.028 532 T CA -0.582 61.548 62.100 0.050 0.000 1.005 532 T CB 1.085 69.981 68.868 0.047 0.000 1.157 532 T HN 0.723 nan 8.240 nan 0.000 0.550 533 A N 0.805 123.650 122.820 0.042 0.000 1.892 533 A HA -0.124 4.197 4.320 0.002 0.000 0.218 533 A C 2.018 179.627 177.584 0.043 0.000 1.188 533 A CA 2.181 54.243 52.037 0.042 0.000 0.631 533 A CB -1.105 17.917 19.000 0.036 0.000 0.822 533 A HN 0.940 nan 8.150 nan 0.000 0.447 534 E N -0.617 119.605 120.200 0.037 0.000 2.086 534 E HA 0.062 4.413 4.350 0.002 0.000 0.190 534 E C 1.081 177.697 176.600 0.027 0.000 0.975 534 E CA 1.169 57.587 56.400 0.031 0.000 0.813 534 E CB -0.093 29.622 29.700 0.023 0.000 0.768 534 E HN 0.347 nan 8.360 nan 0.000 0.457 535 K N 1.586 122.005 120.400 0.032 0.000 2.598 535 K HA 0.264 4.585 4.320 0.002 0.000 0.226 535 K C -2.708 173.932 176.600 0.066 0.000 1.156 535 K CA -3.059 53.245 56.287 0.029 0.000 1.122 535 K CB 0.241 32.748 32.500 0.012 0.000 1.739 535 K HN -0.067 nan 8.250 nan 0.000 0.472 536 P HA -0.068 nan 4.420 nan 0.000 0.266 536 P C -0.897 176.528 177.300 0.208 0.000 1.193 536 P CA -0.215 62.976 63.100 0.151 0.000 0.770 536 P CB 0.801 32.660 31.700 0.265 0.000 0.836 537 V N 4.236 124.248 119.914 0.163 0.000 2.407 537 V HA 0.352 4.473 4.120 0.002 0.000 0.291 537 V C -0.534 175.685 176.094 0.208 0.000 1.018 537 V CA -0.282 62.146 62.300 0.213 0.000 0.842 537 V CB 0.656 32.571 31.823 0.154 0.000 0.996 537 V HN 0.330 nan 8.190 nan 0.000 0.426 538 F N 3.498 123.562 119.950 0.190 0.000 2.388 538 F HA 0.489 5.017 4.527 0.001 0.000 0.358 538 F C 0.744 176.717 175.800 0.290 0.000 1.122 538 F CA -0.669 57.499 58.000 0.280 0.000 1.056 538 F CB 1.120 40.366 39.000 0.410 0.000 1.155 538 F HN 0.394 nan 8.300 nan 0.000 0.461 539 N N 2.645 121.550 118.700 0.342 0.000 2.529 539 N HA 0.171 4.912 4.740 0.002 0.000 0.278 539 N C -0.188 175.332 175.510 0.015 0.000 1.146 539 N CA -0.385 52.829 53.050 0.273 0.000 0.980 539 N CB 1.154 39.785 38.487 0.240 0.000 1.124 539 N HN 0.546 nan 8.380 nan 0.000 0.458 540 R N 1.592 121.975 120.500 -0.196 0.000 2.205 540 R HA 0.169 4.510 4.340 0.002 0.000 0.342 540 R C 0.543 176.635 176.300 -0.347 0.000 1.058 540 R CA -0.199 55.360 56.100 -0.901 0.000 0.904 540 R CB 0.310 30.086 30.300 -0.873 0.000 1.089 540 R HN 0.488 nan 8.270 nan 0.000 0.471 541 T N 2.128 116.468 114.554 -0.356 0.000 2.588 541 T HA -0.077 4.274 4.350 0.002 0.000 0.261 541 T C 0.310 174.894 174.700 -0.194 0.000 1.069 541 T CA 1.229 63.192 62.100 -0.228 0.000 1.172 541 T CB 0.038 68.753 68.868 -0.256 0.000 0.863 541 T HN 0.384 nan 8.240 nan 0.000 0.408 542 V N -0.277 119.534 119.914 -0.172 0.000 3.012 542 V HA 0.710 4.832 4.120 0.002 0.000 0.307 542 V C -0.081 176.003 176.094 -0.017 0.000 1.166 542 V CA -0.552 61.704 62.300 -0.073 0.000 0.974 542 V CB 1.751 33.545 31.823 -0.049 0.000 1.040 542 V HN 0.522 nan 8.190 nan 0.000 0.428 543 G N 3.566 112.360 108.800 -0.010 0.000 2.563 543 G HA2 0.555 4.516 3.960 0.002 0.000 0.283 543 G HA3 0.555 4.516 3.960 0.002 0.000 0.283 543 G C -0.693 174.239 174.900 0.053 0.000 1.309 543 G CA -0.618 44.487 45.100 0.009 0.000 1.022 543 G HN 0.745 nan 8.290 nan 0.000 0.501 544 L N -0.950 120.287 121.223 0.024 0.000 2.400 544 L HA 0.457 4.798 4.340 0.002 0.000 0.264 544 L C 1.123 178.017 176.870 0.041 0.000 1.061 544 L CA -0.759 54.099 54.840 0.029 0.000 0.799 544 L CB 1.170 43.211 42.059 -0.030 0.000 1.240 544 L HN 0.436 nan 8.230 nan 0.000 0.461 545 R N 1.090 121.619 120.500 0.049 0.000 2.296 545 R HA 0.115 4.456 4.340 0.002 0.000 0.323 545 R C -1.341 174.976 176.300 0.029 0.000 1.067 545 R CA -0.167 55.959 56.100 0.043 0.000 0.946 545 R CB 0.147 30.477 30.300 0.049 0.000 0.991 545 R HN 0.447 nan 8.270 nan 0.000 0.448 546 D N 2.738 123.154 120.400 0.026 0.000 2.502 546 D HA 0.303 4.944 4.640 0.002 0.000 0.249 546 D C -0.831 175.482 176.300 0.021 0.000 1.092 546 D CA -0.099 53.913 54.000 0.020 0.000 0.839 546 D CB 1.641 42.453 40.800 0.019 0.000 1.264 546 D HN 0.597 nan 8.370 nan 0.000 0.511 547 T N 0.000 114.565 114.554 0.018 0.000 3.816 547 T HA 0.000 4.351 4.350 0.002 0.000 0.228 547 T CA 0.000 62.112 62.100 0.020 0.000 1.349 547 T CB 0.000 68.881 68.868 0.022 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658