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 1qrs_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 LCTLEFQNNR 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 0.000 174.699 174.700 -0.001 0.000 1.109 8 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 8 T CB 0.000 68.869 68.868 0.002 0.000 0.612 9 N N 1.136 119.829 118.700 -0.011 0.000 2.853 9 N HA 0.419 nan 4.740 nan 0.000 0.258 9 N C 0.250 175.780 175.510 0.033 0.000 1.444 9 N CA -0.887 52.182 53.050 0.032 0.000 0.837 9 N CB 2.038 40.519 38.487 -0.011 0.000 1.489 9 N HN -0.323 8.036 8.380 -0.034 0.000 0.529 10 F N -2.655 117.275 119.950 -0.032 0.000 2.192 10 F HA -0.261 nan 4.527 nan 0.000 0.301 10 F C 1.087 176.834 175.800 -0.089 0.000 1.079 10 F CA 2.365 60.343 58.000 -0.038 0.000 1.303 10 F CB -0.187 38.809 39.000 -0.007 0.000 1.024 10 F HN 0.363 8.968 8.300 0.509 0.000 0.494 11 I N 0.241 120.285 120.570 -0.878 0.000 2.353 11 I HA -0.536 nan 4.170 nan 0.000 0.248 11 I C 1.927 177.756 176.117 -0.479 0.000 1.119 11 I CA 3.397 64.217 61.300 -0.800 0.000 1.417 11 I CB -0.564 36.948 38.000 -0.813 0.000 1.078 11 I HN -0.591 7.169 8.210 -0.931 -0.109 0.421 12 R N -0.965 119.347 120.500 -0.313 0.000 2.189 12 R HA -0.308 nan 4.340 nan 0.000 0.218 12 R C 2.626 178.861 176.300 -0.108 0.000 1.074 12 R CA 3.668 59.661 56.100 -0.178 0.000 0.991 12 R CB -0.414 29.866 30.300 -0.034 0.000 0.883 12 R HN -0.024 8.385 8.270 -0.291 -0.313 0.457 13 Q N -0.093 119.649 119.800 -0.097 0.000 2.245 13 Q HA -0.217 nan 4.340 nan 0.000 0.201 13 Q C 2.511 178.471 176.000 -0.066 0.000 0.955 13 Q CA 3.151 58.931 55.803 -0.038 0.000 0.870 13 Q CB -0.193 28.551 28.738 0.010 0.000 0.945 13 Q HN -0.335 7.736 8.270 -0.117 0.128 0.461 14 I N 1.076 121.554 120.570 -0.154 0.000 2.233 14 I HA -0.465 nan 4.170 nan 0.000 0.243 14 I C 1.464 177.485 176.117 -0.160 0.000 1.093 14 I CA 4.229 65.424 61.300 -0.176 0.000 1.380 14 I CB 0.077 37.840 38.000 -0.395 0.000 1.067 14 I HN -0.642 7.314 8.210 -0.214 0.126 0.413 15 I N 0.441 120.823 120.570 -0.312 0.000 2.208 15 I HA -0.683 nan 4.170 nan 0.000 0.245 15 I C 1.637 177.666 176.117 -0.146 0.000 1.097 15 I CA 4.758 65.826 61.300 -0.388 0.000 1.363 15 I CB -0.543 36.978 38.000 -0.798 0.000 1.051 15 I HN -0.189 7.784 8.210 -0.394 0.000 0.413 16 D N -0.349 120.020 120.400 -0.052 0.000 2.104 16 D HA -0.319 nan 4.640 nan 0.000 0.194 16 D C 2.636 178.962 176.300 0.044 0.000 0.994 16 D CA 3.728 57.763 54.000 0.059 0.000 0.830 16 D CB -0.704 40.135 40.800 0.065 0.000 0.959 16 D HN -0.122 8.192 8.370 -0.086 0.004 0.452 17 E N -0.065 120.150 120.200 0.025 0.000 2.058 17 E HA -0.399 nan 4.350 nan 0.000 0.194 17 E C 2.411 179.048 176.600 0.062 0.000 0.997 17 E CA 3.116 59.539 56.400 0.039 0.000 0.801 17 E CB -0.102 29.618 29.700 0.034 0.000 0.746 17 E HN -0.484 7.808 8.360 0.001 0.069 0.450 18 D N 0.194 120.648 120.400 0.090 0.000 2.123 18 D HA -0.271 nan 4.640 nan 0.000 0.196 18 D C 2.445 178.832 176.300 0.145 0.000 0.992 18 D CA 3.396 57.495 54.000 0.165 0.000 0.833 18 D CB -0.407 40.598 40.800 0.342 0.000 0.954 18 D HN 0.101 8.511 8.370 0.066 0.000 0.455 19 L N -1.299 119.995 121.223 0.118 0.000 2.005 19 L HA -0.273 nan 4.340 nan 0.000 0.207 19 L C 2.694 179.610 176.870 0.077 0.000 1.072 19 L CA 2.906 57.812 54.840 0.110 0.000 0.744 19 L CB -0.892 41.236 42.059 0.116 0.000 0.895 19 L HN -0.108 8.177 8.230 0.093 0.000 0.433 20 A N -0.456 122.403 122.820 0.064 0.000 1.859 20 A HA -0.324 nan 4.320 nan 0.000 0.217 20 A C 1.907 179.513 177.584 0.036 0.000 1.198 20 A CA 2.931 54.995 52.037 0.045 0.000 0.629 20 A CB -0.610 18.413 19.000 0.039 0.000 0.830 20 A HN -0.003 8.188 8.150 0.068 0.000 0.446 21 S N -2.357 113.365 115.700 0.036 0.000 2.500 21 S HA -0.176 nan 4.470 nan 0.000 0.239 21 S C 1.044 175.652 174.600 0.013 0.000 0.989 21 S CA 0.431 58.644 58.200 0.022 0.000 0.951 21 S CB 0.522 63.735 63.200 0.021 0.000 0.759 21 S HN 0.029 8.365 8.310 0.044 0.000 0.523 22 G N 1.572 110.386 108.800 0.023 0.000 2.147 22 G HA2 -0.395 nan 3.960 nan 0.000 0.244 22 G HA3 -0.395 nan 3.960 nan 0.000 0.244 22 G C 0.151 175.037 174.900 -0.023 0.000 1.005 22 G CA 0.251 45.358 45.100 0.012 0.000 0.713 22 G HN -0.247 7.856 8.290 0.041 0.211 0.515 23 K N -0.273 120.103 120.400 -0.040 0.000 2.155 23 K HA -0.196 nan 4.320 nan 0.000 0.203 23 K C -0.319 176.058 176.600 -0.371 0.000 1.052 23 K CA 1.778 57.955 56.287 -0.184 0.000 0.948 23 K CB 0.922 33.328 32.500 -0.158 0.000 0.728 23 K HN -0.152 8.066 8.250 0.007 0.036 0.448 24 H N -4.571 114.518 119.070 0.032 0.000 2.980 24 H HA 0.205 nan 4.556 nan 0.000 0.367 24 H C -1.241 174.113 175.328 0.043 0.000 1.206 24 H CA -0.588 55.483 56.048 0.039 0.000 1.126 24 H CB 3.175 32.977 29.762 0.068 0.000 1.838 24 H HN -0.760 7.561 8.280 0.099 0.018 0.552 25 T N -4.214 110.451 114.554 0.184 0.000 2.999 25 T HA 0.089 nan 4.350 nan 0.000 0.247 25 T C 0.056 174.820 174.700 0.107 0.000 1.012 25 T CA 0.274 62.442 62.100 0.113 0.000 1.048 25 T CB 0.651 69.564 68.868 0.074 0.000 1.020 25 T HN -0.007 8.356 8.240 0.205 0.000 0.478 26 T N 4.758 119.380 114.554 0.112 0.000 2.924 26 T HA 0.282 nan 4.350 nan 0.000 0.291 26 T C -1.467 173.260 174.700 0.044 0.000 1.045 26 T CA -0.908 61.233 62.100 0.069 0.000 1.015 26 T CB 2.322 71.215 68.868 0.042 0.000 1.103 26 T HN -0.437 7.890 8.240 0.145 0.000 0.496 27 V N -2.004 117.912 119.914 0.002 0.000 2.459 27 V HA 0.631 nan 4.120 nan 0.000 0.295 27 V C -1.999 174.111 176.094 0.025 0.000 1.029 27 V CA -2.852 59.423 62.300 -0.042 0.000 0.874 27 V CB 1.094 32.787 31.823 -0.216 0.000 0.985 27 V HN 0.447 8.644 8.190 0.011 0.000 0.438 28 H N 7.166 126.207 119.070 -0.048 0.000 2.823 28 H HA 0.632 nan 4.556 nan 0.000 0.332 28 H C -1.020 174.279 175.328 -0.048 0.000 0.980 28 H CA -1.609 54.413 56.048 -0.043 0.000 1.286 28 H CB 3.166 32.911 29.762 -0.027 0.000 1.541 28 H HN 0.789 9.141 8.280 0.121 0.000 0.521 29 T N 3.016 117.662 114.554 0.154 0.000 2.870 29 T HA 0.672 nan 4.350 nan 0.000 0.277 29 T C -1.914 172.741 174.700 -0.075 0.000 1.000 29 T CA -2.571 59.522 62.100 -0.012 0.000 0.982 29 T CB 2.777 71.594 68.868 -0.086 0.000 1.249 29 T HN 0.727 9.098 8.240 0.218 0.000 0.589 30 R N -0.637 119.788 120.500 -0.124 0.000 2.634 30 R HA 0.508 nan 4.340 nan 0.000 0.263 30 R C -2.586 173.667 176.300 -0.078 0.000 1.060 30 R CA -0.318 55.689 56.100 -0.156 0.000 0.898 30 R CB 3.254 33.460 30.300 -0.156 0.000 1.253 30 R HN 0.013 8.231 8.270 -0.087 0.000 0.461 31 F N 3.136 122.917 119.950 -0.282 0.000 2.426 31 F HA 0.514 nan 4.527 nan 0.000 0.348 31 F C -2.767 172.932 175.800 -0.170 0.000 1.124 31 F CA -3.842 54.062 58.000 -0.161 0.000 1.008 31 F CB 3.018 41.989 39.000 -0.048 0.000 1.139 31 F HN 0.550 8.779 8.300 -0.117 0.000 0.452 32 P HA 0.425 nan 4.420 nan 0.000 0.186 32 P C -2.506 174.431 177.300 -0.605 0.000 1.881 32 P CA -2.747 60.049 63.100 -0.506 0.000 1.276 32 P CB -0.578 31.067 31.700 -0.092 0.000 1.649 33 P HA -0.031 nan 4.420 nan 0.000 0.281 33 P C -1.257 175.871 177.300 -0.287 0.000 1.249 33 P CA -1.007 61.704 63.100 -0.647 0.000 0.810 33 P CB 1.296 32.501 31.700 -0.826 0.000 1.008 34 E N -0.016 120.098 120.200 -0.144 0.000 2.259 34 E HA 0.309 nan 4.350 nan 0.000 0.281 34 E C -1.044 175.544 176.600 -0.021 0.000 1.027 34 E CA -3.530 52.865 56.400 -0.007 0.000 0.838 34 E CB 1.846 31.558 29.700 0.020 0.000 1.066 34 E HN 0.310 8.574 8.360 -0.160 0.000 0.401 35 P HA 0.132 nan 4.420 nan 0.000 0.231 35 P C -1.757 175.507 177.300 -0.060 0.000 1.811 35 P CA -0.588 62.510 63.100 -0.004 0.000 1.051 35 P CB -1.512 30.156 31.700 -0.053 0.000 1.951 36 N N 0.117 118.666 118.700 -0.251 0.000 2.291 36 N HA 0.032 nan 4.740 nan 0.000 0.244 36 N C -1.180 173.809 175.510 -0.867 0.000 1.216 36 N CA -0.597 52.243 53.050 -0.349 0.000 0.879 36 N CB 0.995 39.419 38.487 -0.105 0.000 1.167 36 N HN 0.227 8.403 8.380 -0.244 0.058 0.515 37 G N -1.709 106.231 108.800 -1.434 0.000 2.313 37 G HA2 -0.122 nan 3.960 nan 0.000 0.296 37 G HA3 -0.122 nan 3.960 nan 0.000 0.296 37 G C -2.758 171.555 174.900 -0.978 0.000 1.356 37 G CA 0.142 44.362 45.100 -1.467 0.000 0.833 37 G HN -0.787 6.728 8.290 -1.190 0.061 0.552 38 Y N -1.780 117.823 120.300 -1.162 0.000 2.307 38 Y HA 0.073 nan 4.550 nan 0.000 0.324 38 Y C -0.092 175.677 175.900 -0.218 0.000 1.238 38 Y CA -0.392 57.396 58.100 -0.519 0.000 1.280 38 Y CB 1.110 39.344 38.460 -0.377 0.000 1.248 38 Y HN -0.094 7.287 8.280 -1.500 0.000 0.508 39 L N 0.142 121.371 121.223 0.010 0.000 2.473 39 L HA 0.042 nan 4.340 nan 0.000 0.268 39 L C -0.513 176.538 176.870 0.301 0.000 1.215 39 L CA 0.496 55.379 54.840 0.072 0.000 0.823 39 L CB 0.327 42.418 42.059 0.054 0.000 1.099 39 L HN 0.630 8.837 8.230 -0.040 0.000 0.483 40 H N -1.340 118.037 119.070 0.512 0.000 2.931 40 H HA 0.485 nan 4.556 nan 0.000 0.331 40 H C 0.244 175.690 175.328 0.196 0.000 1.273 40 H CA -1.995 54.212 56.048 0.265 0.000 1.171 40 H CB 1.629 31.505 29.762 0.189 0.000 1.898 40 H HN 0.100 8.707 8.280 0.545 0.000 0.562 41 I N 0.057 120.838 120.570 0.352 0.000 2.335 41 I HA -0.423 nan 4.170 nan 0.000 0.251 41 I C 1.273 177.575 176.117 0.309 0.000 1.129 41 I CA 1.585 63.037 61.300 0.253 0.000 1.402 41 I CB 0.328 38.394 38.000 0.110 0.000 1.069 41 I HN 0.123 8.485 8.210 0.254 0.000 0.424 42 G N -3.257 105.745 108.800 0.337 0.000 2.418 42 G HA2 -0.287 nan 3.960 nan 0.000 0.217 42 G HA3 -0.287 nan 3.960 nan 0.000 0.217 42 G C 1.670 176.747 174.900 0.295 0.000 1.158 42 G CA 2.087 47.337 45.100 0.251 0.000 0.771 42 G HN -0.325 8.117 8.290 0.286 0.020 0.545 43 H N 3.083 122.398 119.070 0.408 0.000 2.421 43 H HA -0.287 nan 4.556 nan 0.000 0.298 43 H C 1.727 177.104 175.328 0.081 0.000 1.087 43 H CA 2.750 58.928 56.048 0.216 0.000 1.330 43 H CB -0.125 29.714 29.762 0.128 0.000 1.388 43 H HN -0.568 7.973 8.280 0.435 0.000 0.526 44 A N -1.971 120.990 122.820 0.234 0.000 2.024 44 A HA -0.301 nan 4.320 nan 0.000 0.220 44 A C 1.183 178.808 177.584 0.069 0.000 1.164 44 A CA 3.103 55.216 52.037 0.126 0.000 0.643 44 A CB -0.926 18.198 19.000 0.207 0.000 0.806 44 A HN -0.056 8.164 8.150 0.315 0.119 0.451 45 K N -2.094 118.374 120.400 0.113 0.000 2.103 45 K HA -0.257 nan 4.320 nan 0.000 0.204 45 K C 2.032 178.614 176.600 -0.031 0.000 1.052 45 K CA 3.279 59.593 56.287 0.043 0.000 0.945 45 K CB -0.245 32.313 32.500 0.096 0.000 0.722 45 K HN -0.246 7.966 8.250 0.183 0.147 0.443 46 S N 1.130 116.873 115.700 0.072 0.000 2.368 46 S HA -0.263 nan 4.470 nan 0.000 0.224 46 S C 1.989 176.494 174.600 -0.158 0.000 1.029 46 S CA 3.398 61.639 58.200 0.068 0.000 0.988 46 S CB -0.184 63.248 63.200 0.387 0.000 0.838 46 S HN -0.748 7.573 8.310 0.172 0.092 0.462 47 I N 2.545 122.897 120.570 -0.363 0.000 2.127 47 I HA -0.537 nan 4.170 nan 0.000 0.241 47 I C 1.553 177.421 176.117 -0.415 0.000 1.075 47 I CA 4.494 65.524 61.300 -0.449 0.000 1.334 47 I CB -0.133 37.523 38.000 -0.574 0.000 1.040 47 I HN 0.181 8.198 8.210 -0.321 0.000 0.405 48 C N -1.292 117.816 119.300 -0.320 0.000 2.413 48 C HA -0.322 nan 4.460 nan 0.000 0.276 48 C C 2.459 177.309 174.990 -0.233 0.000 1.248 48 C CA 4.397 63.258 59.018 -0.262 0.000 1.742 48 C CB -1.847 25.863 27.740 -0.050 0.000 2.017 48 C HN -0.038 7.960 8.230 -0.204 0.109 0.481 49 L N -0.158 120.923 121.223 -0.237 0.000 1.988 49 L HA -0.428 nan 4.340 nan 0.000 0.207 49 L C 1.859 178.592 176.870 -0.229 0.000 1.071 49 L CA 3.407 58.087 54.840 -0.265 0.000 0.744 49 L CB -0.201 41.603 42.059 -0.426 0.000 0.893 49 L HN -0.038 7.968 8.230 -0.232 0.085 0.433 50 N N -0.493 118.076 118.700 -0.219 0.000 2.106 50 N HA -0.298 nan 4.740 nan 0.000 0.188 50 N C 2.882 178.221 175.510 -0.284 0.000 1.029 50 N CA 3.540 56.447 53.050 -0.237 0.000 0.848 50 N CB 0.030 38.380 38.487 -0.229 0.000 1.007 50 N HN 0.276 8.425 8.380 -0.205 0.108 0.423 51 F N -1.541 118.203 119.950 -0.343 0.000 2.367 51 F HA -0.065 nan 4.527 nan 0.000 0.298 51 F C 1.685 177.376 175.800 -0.181 0.000 1.094 51 F CA 3.392 61.200 58.000 -0.319 0.000 1.409 51 F CB -0.320 38.271 39.000 -0.682 0.000 1.064 51 F HN 0.344 8.568 8.300 -0.128 0.000 0.528 52 G N 0.132 108.902 108.800 -0.050 0.000 2.402 52 G HA2 -0.313 nan 3.960 nan 0.000 0.216 52 G HA3 -0.313 nan 3.960 nan 0.000 0.216 52 G C 0.824 175.768 174.900 0.073 0.000 1.162 52 G CA 2.090 47.235 45.100 0.075 0.000 0.777 52 G HN -0.253 7.909 8.290 -0.178 0.021 0.539 53 I N 2.361 122.935 120.570 0.008 0.000 2.179 53 I HA -0.534 nan 4.170 nan 0.000 0.242 53 I C 1.388 177.571 176.117 0.110 0.000 1.088 53 I CA 3.725 65.055 61.300 0.050 0.000 1.357 53 I CB -0.221 37.694 38.000 -0.141 0.000 1.051 53 I HN -0.296 7.876 8.210 -0.064 0.000 0.409 54 A N -1.186 121.652 122.820 0.029 0.000 1.873 54 A HA -0.427 nan 4.320 nan 0.000 0.218 54 A C 2.014 179.662 177.584 0.106 0.000 1.193 54 A CA 3.519 55.584 52.037 0.047 0.000 0.629 54 A CB -0.931 18.081 19.000 0.020 0.000 0.826 54 A HN -0.497 7.639 8.150 -0.024 0.000 0.447 55 Q N -2.822 117.058 119.800 0.133 0.000 2.167 55 Q HA -0.308 nan 4.340 nan 0.000 0.202 55 Q C 2.909 178.955 176.000 0.077 0.000 0.970 55 Q CA 2.689 58.562 55.803 0.118 0.000 0.855 55 Q CB -0.411 28.416 28.738 0.149 0.000 0.911 55 Q HN -0.252 8.110 8.270 0.153 0.000 0.438 56 D N 2.117 122.569 120.400 0.087 0.000 2.144 56 D HA -0.194 nan 4.640 nan 0.000 0.200 56 D C 1.280 177.500 176.300 -0.134 0.000 0.978 56 D CA 3.046 57.028 54.000 -0.032 0.000 0.833 56 D CB 0.255 41.024 40.800 -0.050 0.000 0.961 56 D HN 0.140 8.587 8.370 0.128 0.000 0.470 57 Y N -4.225 116.052 120.300 -0.037 0.000 2.571 57 Y HA 0.085 nan 4.550 nan 0.000 0.275 57 Y C -1.396 174.486 175.900 -0.029 0.000 1.179 57 Y CA -1.355 56.721 58.100 -0.040 0.000 1.242 57 Y CB -0.433 37.990 38.460 -0.063 0.000 1.126 57 Y HN -0.341 8.152 8.280 0.355 0.000 0.524 58 K N -2.887 117.565 120.400 0.086 0.000 3.035 58 K HA -0.377 nan 4.320 nan 0.000 0.262 58 K C -0.213 176.413 176.600 0.044 0.000 1.024 58 K CA 0.757 57.074 56.287 0.049 0.000 0.748 58 K CB -2.502 30.013 32.500 0.026 0.000 1.247 58 K HN -0.506 7.588 8.250 0.065 0.195 0.482 59 G N -1.566 107.264 108.800 0.050 0.000 2.671 59 G HA2 0.341 nan 3.960 nan 0.000 0.275 59 G HA3 0.341 nan 3.960 nan 0.000 0.275 59 G C -1.746 173.118 174.900 -0.060 0.000 1.368 59 G CA -0.365 44.729 45.100 -0.010 0.000 1.044 59 G HN 0.281 8.497 8.290 0.084 0.124 0.543 60 Q N -2.819 116.875 119.800 -0.177 0.000 2.348 60 Q HA 0.316 nan 4.340 nan 0.000 0.271 60 Q C -1.885 174.077 176.000 -0.063 0.000 1.067 60 Q CA -1.763 53.896 55.803 -0.241 0.000 0.839 60 Q CB 3.988 32.310 28.738 -0.694 0.000 1.354 60 Q HN 0.128 8.273 8.270 -0.209 0.000 0.447 61 C N 1.793 121.113 119.300 0.033 0.000 2.516 61 C HA 0.498 nan 4.460 nan 0.000 0.338 61 C C -1.531 173.472 174.990 0.023 0.000 1.132 61 C CA -1.536 57.455 59.018 -0.047 0.000 1.310 61 C CB 1.502 28.993 27.740 -0.416 0.000 1.898 61 C HN 0.571 8.839 8.230 0.063 0.000 0.452 62 N N 7.168 125.888 118.700 0.032 0.000 2.508 62 N HA 0.415 nan 4.740 nan 0.000 0.285 62 N C -2.133 173.337 175.510 -0.067 0.000 1.144 62 N CA -0.457 52.628 53.050 0.059 0.000 0.978 62 N CB 2.087 40.585 38.487 0.017 0.000 1.180 62 N HN 0.322 8.702 8.380 -0.001 0.000 0.484 63 L N 2.288 123.455 121.223 -0.094 0.000 2.262 63 L HA 0.479 nan 4.340 nan 0.000 0.288 63 L C -2.316 174.262 176.870 -0.487 0.000 1.035 63 L CA -0.924 53.725 54.840 -0.318 0.000 0.820 63 L CB 1.620 43.255 42.059 -0.707 0.000 1.204 63 L HN 0.467 8.677 8.230 -0.035 0.000 0.424 64 R N 7.210 127.414 120.500 -0.493 0.000 2.439 64 R HA 0.414 nan 4.340 nan 0.000 0.310 64 R C -1.016 174.933 176.300 -0.586 0.000 0.955 64 R CA -1.807 54.020 56.100 -0.454 0.000 0.853 64 R CB 2.810 32.962 30.300 -0.247 0.000 1.171 64 R HN 0.199 8.201 8.270 -0.447 0.000 0.449 65 F N 6.870 126.560 119.950 -0.434 0.000 2.466 65 F HA -0.129 nan 4.527 nan 0.000 0.363 65 F C -0.847 174.876 175.800 -0.128 0.000 1.109 65 F CA 0.083 57.886 58.000 -0.329 0.000 1.161 65 F CB 0.456 39.201 39.000 -0.425 0.000 1.117 65 F HN 0.771 8.753 8.300 -0.529 0.000 0.539 66 D N 6.939 127.361 120.400 0.038 0.000 2.600 66 D HA -0.037 nan 4.640 nan 0.000 0.226 66 D C -0.606 175.823 176.300 0.214 0.000 1.119 66 D CA -0.382 53.692 54.000 0.123 0.000 1.051 66 D CB -0.551 40.332 40.800 0.139 0.000 1.106 66 D HN -0.034 8.193 8.370 -0.065 0.104 0.491 67 D N 1.783 122.353 120.400 0.284 0.000 2.741 67 D HA 0.115 nan 4.640 nan 0.000 0.233 67 D C 0.362 176.946 176.300 0.474 0.000 1.160 67 D CA -1.236 53.002 54.000 0.397 0.000 1.003 67 D CB -1.827 39.271 40.800 0.496 0.000 1.064 67 D HN -0.308 8.176 8.370 0.256 0.039 0.503 68 T N -5.261 109.509 114.554 0.360 0.000 3.060 68 T HA -0.006 nan 4.350 nan 0.000 0.249 68 T C 0.146 174.970 174.700 0.207 0.000 1.079 68 T CA 0.259 62.567 62.100 0.346 0.000 1.013 68 T CB -0.053 68.972 68.868 0.261 0.000 0.975 68 T HN -0.372 7.992 8.240 0.292 0.051 0.518 69 N N 2.023 120.823 118.700 0.166 0.000 2.804 69 N HA 0.568 nan 4.740 nan 0.000 0.251 69 N C -1.172 174.355 175.510 0.030 0.000 1.250 69 N CA -3.407 49.669 53.050 0.043 0.000 0.820 69 N CB 0.460 38.987 38.487 0.066 0.000 1.156 69 N HN -0.591 8.206 8.380 0.221 -0.285 0.512 70 P HA -0.236 nan 4.420 nan 0.000 0.217 70 P C 1.088 178.392 177.300 0.006 0.000 1.148 70 P CA 2.145 65.235 63.100 -0.017 0.000 0.828 70 P CB -0.003 31.617 31.700 -0.133 0.000 0.783 71 V N -8.385 111.522 119.914 -0.011 0.000 3.510 71 V HA -0.011 nan 4.120 nan 0.000 0.270 71 V C 0.456 176.584 176.094 0.057 0.000 1.201 71 V CA 1.685 64.003 62.300 0.031 0.000 1.166 71 V CB -1.286 30.557 31.823 0.032 0.000 0.825 71 V HN -0.472 7.790 8.190 -0.055 -0.105 0.484 72 K N -3.437 117.001 120.400 0.063 0.000 2.481 72 K HA 0.233 nan 4.320 nan 0.000 0.210 72 K C -0.460 176.201 176.600 0.102 0.000 1.161 72 K CA -0.071 56.265 56.287 0.082 0.000 1.023 72 K CB 1.733 34.273 32.500 0.066 0.000 0.971 72 K HN -0.155 8.041 8.250 0.056 0.087 0.577 73 E N -0.545 119.707 120.200 0.086 0.000 2.222 73 E HA 0.187 nan 4.350 nan 0.000 0.267 73 E C -1.575 175.001 176.600 -0.040 0.000 0.963 73 E CA -0.473 55.956 56.400 0.049 0.000 0.837 73 E CB 2.217 31.937 29.700 0.033 0.000 1.183 73 E HN -0.747 7.548 8.360 0.078 0.112 0.403 74 D N 0.745 121.049 120.400 -0.160 0.000 2.837 74 D HA 0.141 nan 4.640 nan 0.000 0.220 74 D C 0.353 176.336 176.300 -0.528 0.000 1.236 74 D CA -0.803 52.996 54.000 -0.335 0.000 0.838 74 D CB 2.220 42.818 40.800 -0.336 0.000 1.647 74 D HN -0.138 8.215 8.370 -0.028 0.000 0.486 75 I N 4.891 125.200 120.570 -0.435 0.000 2.399 75 I HA -0.355 nan 4.170 nan 0.000 0.254 75 I C 0.155 176.051 176.117 -0.369 0.000 1.146 75 I CA 2.036 63.119 61.300 -0.362 0.000 1.412 75 I CB 0.416 38.303 38.000 -0.189 0.000 1.076 75 I HN 0.300 8.326 8.210 -0.307 0.000 0.432 76 E N -0.102 119.827 120.200 -0.453 0.000 2.118 76 E HA -0.414 nan 4.350 nan 0.000 0.195 76 E C 2.371 178.674 176.600 -0.495 0.000 0.992 76 E CA 3.236 59.363 56.400 -0.455 0.000 0.804 76 E CB -0.313 29.073 29.700 -0.523 0.000 0.741 76 E HN -0.373 7.965 8.360 -0.479 -0.265 0.458 77 Y N -3.409 116.677 120.300 -0.356 0.000 2.314 77 Y HA -0.224 nan 4.550 nan 0.000 0.293 77 Y C 2.276 177.931 175.900 -0.409 0.000 1.129 77 Y CA 2.099 59.924 58.100 -0.457 0.000 1.201 77 Y CB -0.720 37.512 38.460 -0.380 0.000 0.999 77 Y HN -0.274 7.407 8.280 -0.809 0.113 0.541 78 V N -1.378 118.332 119.914 -0.341 0.000 2.427 78 V HA -0.332 nan 4.120 nan 0.000 0.248 78 V C 1.738 177.653 176.094 -0.297 0.000 1.051 78 V CA 3.527 65.478 62.300 -0.581 0.000 1.048 78 V CB -0.698 30.572 31.823 -0.921 0.000 0.666 78 V HN -0.717 7.147 8.190 -0.378 0.099 0.456 79 E N -0.575 119.493 120.200 -0.221 0.000 2.152 79 E HA -0.232 nan 4.350 nan 0.000 0.192 79 E C 2.503 179.049 176.600 -0.090 0.000 0.983 79 E CA 2.537 58.873 56.400 -0.107 0.000 0.818 79 E CB -0.615 29.029 29.700 -0.092 0.000 0.758 79 E HN -0.376 7.829 8.360 -0.259 0.000 0.467 80 S N 0.564 116.139 115.700 -0.208 0.000 2.371 80 S HA -0.218 nan 4.470 nan 0.000 0.224 80 S C 2.093 176.598 174.600 -0.158 0.000 1.029 80 S CA 3.243 61.283 58.200 -0.267 0.000 0.978 80 S CB 0.033 62.793 63.200 -0.732 0.000 0.833 80 S HN -0.587 7.556 8.310 -0.279 0.000 0.466 81 I N 3.194 123.689 120.570 -0.124 0.000 2.163 81 I HA -0.570 nan 4.170 nan 0.000 0.243 81 I C 1.709 177.880 176.117 0.089 0.000 1.085 81 I CA 4.114 65.419 61.300 0.009 0.000 1.347 81 I CB -0.267 37.810 38.000 0.128 0.000 1.044 81 I HN -0.037 8.070 8.210 -0.172 0.000 0.408 82 K N -1.661 118.821 120.400 0.136 0.000 2.063 82 K HA -0.441 nan 4.320 nan 0.000 0.208 82 K C 2.426 179.180 176.600 0.257 0.000 1.048 82 K CA 3.679 60.069 56.287 0.172 0.000 0.928 82 K CB -0.578 32.052 32.500 0.217 0.000 0.713 82 K HN -0.500 7.838 8.250 0.146 0.000 0.442 83 N N 0.149 118.949 118.700 0.167 0.000 2.043 83 N HA -0.365 nan 4.740 nan 0.000 0.193 83 N C 1.958 177.586 175.510 0.196 0.000 1.037 83 N CA 3.190 56.338 53.050 0.163 0.000 0.851 83 N CB 0.066 38.601 38.487 0.080 0.000 1.027 83 N HN -0.558 7.804 8.380 0.105 0.081 0.422 84 D N 0.606 121.094 120.400 0.146 0.000 2.149 84 D HA -0.225 nan 4.640 nan 0.000 0.198 84 D C 2.555 178.999 176.300 0.240 0.000 0.990 84 D CA 3.376 57.492 54.000 0.194 0.000 0.839 84 D CB -0.246 40.628 40.800 0.124 0.000 0.948 84 D HN 0.075 8.497 8.370 0.087 0.000 0.460 85 V N -0.150 119.872 119.914 0.180 0.000 2.343 85 V HA -0.407 nan 4.120 nan 0.000 0.247 85 V C 2.102 178.260 176.094 0.107 0.000 1.051 85 V CA 4.184 66.551 62.300 0.112 0.000 1.036 85 V CB -0.648 31.248 31.823 0.122 0.000 0.654 85 V HN 0.015 8.299 8.190 0.173 0.010 0.451 86 E N -0.774 119.542 120.200 0.194 0.000 2.047 86 E HA -0.339 nan 4.350 nan 0.000 0.191 86 E C 2.484 179.093 176.600 0.015 0.000 0.987 86 E CA 2.770 59.198 56.400 0.046 0.000 0.799 86 E CB -0.106 29.687 29.700 0.155 0.000 0.752 86 E HN -0.467 8.069 8.360 0.292 0.000 0.449 87 W N 1.139 122.426 121.300 -0.022 0.000 2.350 87 W HA -0.312 nan 4.660 nan 0.000 0.289 87 W C 0.834 177.313 176.519 -0.068 0.000 1.215 87 W CA 3.657 60.984 57.345 -0.030 0.000 1.236 87 W CB -0.023 29.444 29.460 0.011 0.000 1.130 87 W HN 0.039 8.428 8.180 0.347 0.000 0.541 88 L N -5.751 115.447 121.223 -0.042 0.000 2.362 88 L HA -0.273 nan 4.340 nan 0.000 0.219 88 L C 0.079 176.644 176.870 -0.509 0.000 1.134 88 L CA 0.948 55.648 54.840 -0.232 0.000 0.807 88 L CB 0.269 42.404 42.059 0.126 0.000 0.927 88 L HN -0.557 7.770 8.230 0.190 0.017 0.447 89 G N -3.141 105.344 108.800 -0.525 0.000 2.207 89 G HA2 -0.354 nan 3.960 nan 0.000 0.216 89 G HA3 -0.354 nan 3.960 nan 0.000 0.216 89 G C -0.625 173.679 174.900 -0.994 0.000 1.053 89 G CA -0.289 44.385 45.100 -0.710 0.000 0.764 89 G HN -0.080 7.795 8.290 -0.350 0.204 0.495 90 F N -1.127 118.469 119.950 -0.591 0.000 2.577 90 F HA 0.268 nan 4.527 nan 0.000 0.318 90 F C -1.339 173.976 175.800 -0.808 0.000 1.065 90 F CA -1.342 56.275 58.000 -0.638 0.000 0.929 90 F CB 3.463 41.973 39.000 -0.816 0.000 1.237 90 F HN -0.778 7.237 8.300 -0.475 0.000 0.468 91 H N 0.996 120.099 119.070 0.056 0.000 2.679 91 H HA 0.236 nan 4.556 nan 0.000 0.360 91 H C -1.391 174.101 175.328 0.273 0.000 1.105 91 H CA -1.191 54.806 56.048 -0.086 0.000 1.196 91 H CB 2.778 32.408 29.762 -0.220 0.000 1.636 91 H HN 0.073 8.439 8.280 0.144 0.000 0.531 92 W N 1.650 123.215 121.300 0.443 0.000 2.283 92 W HA 0.164 nan 4.660 nan 0.000 0.341 92 W C -0.917 175.754 176.519 0.254 0.000 1.206 92 W CA -2.406 55.207 57.345 0.447 0.000 1.294 92 W CB 0.800 30.492 29.460 0.386 0.000 1.154 92 W HN -0.162 7.888 8.180 -0.217 0.000 0.613 93 S N 2.501 118.459 115.700 0.430 0.000 2.455 93 S HA -0.051 nan 4.470 nan 0.000 0.278 93 S C 0.756 175.528 174.600 0.285 0.000 1.216 93 S CA 0.336 58.684 58.200 0.246 0.000 1.055 93 S CB -0.275 63.014 63.200 0.149 0.000 0.939 93 S HN 0.390 8.861 8.310 0.448 0.108 0.494 94 G N 6.007 114.927 108.800 0.200 0.000 2.539 94 G HA2 -0.463 nan 3.960 nan 0.000 0.256 94 G HA3 -0.463 nan 3.960 nan 0.000 0.256 94 G C -1.857 173.230 174.900 0.313 0.000 1.233 94 G CA -0.281 44.941 45.100 0.203 0.000 0.936 94 G HN 0.208 8.574 8.290 0.127 0.000 0.571 95 N N -0.165 118.702 118.700 0.278 0.000 2.445 95 N HA 0.097 nan 4.740 nan 0.000 0.264 95 N C -0.435 175.264 175.510 0.316 0.000 1.227 95 N CA -0.698 52.543 53.050 0.317 0.000 0.963 95 N CB 1.427 40.042 38.487 0.212 0.000 1.188 95 N HN -0.177 8.330 8.380 0.213 0.000 0.491 96 V N 0.736 120.812 119.914 0.269 0.000 2.655 96 V HA -0.028 nan 4.120 nan 0.000 0.300 96 V C -0.005 176.091 176.094 0.002 0.000 1.044 96 V CA 0.921 63.207 62.300 -0.024 0.000 1.095 96 V CB -0.132 31.691 31.823 0.000 0.000 0.952 96 V HN 0.302 8.703 8.190 0.352 0.000 0.485 97 R N 4.506 124.917 120.500 -0.149 0.000 2.758 97 R HA 0.517 nan 4.340 nan 0.000 0.265 97 R C -1.533 174.627 176.300 -0.235 0.000 1.016 97 R CA -3.758 52.294 56.100 -0.080 0.000 1.040 97 R CB 2.342 32.614 30.300 -0.046 0.000 1.152 97 R HN 0.609 8.718 8.270 -0.269 0.000 0.503 98 Y N -1.651 118.545 120.300 -0.174 0.000 2.504 98 Y HA 0.267 nan 4.550 nan 0.000 0.344 98 Y C 1.409 177.088 175.900 -0.369 0.000 1.023 98 Y CA -0.847 57.159 58.100 -0.156 0.000 1.020 98 Y CB 3.500 41.870 38.460 -0.150 0.000 1.282 98 Y HN -0.194 8.258 8.280 -0.071 -0.215 0.454 99 S N 5.503 121.168 115.700 -0.059 0.000 2.399 99 S HA -0.345 nan 4.470 nan 0.000 0.231 99 S C 2.020 176.354 174.600 -0.444 0.000 1.022 99 S CA 3.711 61.863 58.200 -0.081 0.000 0.983 99 S CB -0.006 63.238 63.200 0.074 0.000 0.803 99 S HN 0.627 9.047 8.310 0.058 -0.075 0.480 100 S N 1.061 116.336 115.700 -0.708 0.000 2.469 100 S HA -0.230 nan 4.470 nan 0.000 0.238 100 S C 1.898 175.892 174.600 -1.010 0.000 0.998 100 S CA 2.546 59.748 58.200 -1.664 0.000 0.957 100 S CB -0.329 62.123 63.200 -1.246 0.000 0.764 100 S HN -0.097 8.284 8.310 -0.321 -0.263 0.514 101 D N 3.159 123.143 120.400 -0.692 0.000 2.263 101 D HA -0.164 nan 4.640 nan 0.000 0.208 101 D C 0.795 176.798 176.300 -0.494 0.000 0.971 101 D CA 2.498 56.145 54.000 -0.587 0.000 0.867 101 D CB -0.174 40.186 40.800 -0.732 0.000 0.929 101 D HN -0.139 7.682 8.370 -0.608 0.184 0.492 102 Y N -3.863 116.333 120.300 -0.172 0.000 2.607 102 Y HA 0.133 nan 4.550 nan 0.000 0.266 102 Y C 0.224 176.165 175.900 0.068 0.000 1.178 102 Y CA -2.362 55.712 58.100 -0.043 0.000 1.226 102 Y CB -1.267 37.166 38.460 -0.045 0.000 1.144 102 Y HN 0.096 7.804 8.280 -0.645 0.184 0.528 103 F N 1.258 121.177 119.950 -0.051 0.000 2.126 103 F HA -0.407 nan 4.527 nan 0.000 0.299 103 F C 1.677 177.412 175.800 -0.108 0.000 1.096 103 F CA 2.813 60.623 58.000 -0.316 0.000 1.255 103 F CB -1.015 37.456 39.000 -0.881 0.000 0.997 103 F HN -0.575 7.457 8.300 -0.177 0.161 0.479 104 D N -3.136 117.495 120.400 0.384 0.000 2.219 104 D HA -0.294 nan 4.640 nan 0.000 0.205 104 D C 2.414 178.895 176.300 0.301 0.000 0.970 104 D CA 4.029 58.284 54.000 0.425 0.000 0.851 104 D CB -0.523 40.482 40.800 0.341 0.000 0.943 104 D HN 0.204 8.796 8.370 0.370 0.000 0.488 105 Q N 0.497 120.444 119.800 0.244 0.000 2.020 105 Q HA -0.165 nan 4.340 nan 0.000 0.198 105 Q C 2.395 178.517 176.000 0.203 0.000 0.974 105 Q CA 2.747 58.641 55.803 0.152 0.000 0.829 105 Q CB -0.332 28.516 28.738 0.184 0.000 0.894 105 Q HN -0.310 7.999 8.270 0.268 0.122 0.433 106 L N -0.559 120.841 121.223 0.295 0.000 2.042 106 L HA -0.363 nan 4.340 nan 0.000 0.210 106 L C 2.047 179.281 176.870 0.606 0.000 1.076 106 L CA 2.938 58.003 54.840 0.375 0.000 0.749 106 L CB -1.187 41.070 42.059 0.330 0.000 0.893 106 L HN 0.545 8.840 8.230 0.290 0.109 0.432 107 H N -0.455 118.850 119.070 0.392 0.000 2.387 107 H HA -0.357 nan 4.556 nan 0.000 0.299 107 H C 1.827 177.321 175.328 0.277 0.000 1.090 107 H CA 4.159 60.404 56.048 0.327 0.000 1.332 107 H CB 0.585 30.495 29.762 0.247 0.000 1.386 107 H HN 0.016 8.576 8.280 0.466 0.000 0.516 108 A N -1.176 121.760 122.820 0.193 0.000 1.929 108 A HA -0.248 nan 4.320 nan 0.000 0.216 108 A C 2.042 179.608 177.584 -0.030 0.000 1.176 108 A CA 2.757 54.795 52.037 0.002 0.000 0.628 108 A CB -0.918 18.016 19.000 -0.110 0.000 0.816 108 A HN -0.455 7.736 8.150 0.260 0.116 0.444 109 Y N -1.387 119.007 120.300 0.158 0.000 2.314 109 Y HA -0.353 nan 4.550 nan 0.000 0.293 109 Y C 2.013 178.066 175.900 0.254 0.000 1.129 109 Y CA 2.577 60.780 58.100 0.171 0.000 1.201 109 Y CB -0.646 37.880 38.460 0.109 0.000 0.999 109 Y HN -0.360 7.945 8.280 0.185 0.086 0.541 110 A N 0.166 123.265 122.820 0.465 0.000 1.902 110 A HA -0.329 nan 4.320 nan 0.000 0.217 110 A C 1.877 179.423 177.584 -0.063 0.000 1.181 110 A CA 3.228 55.326 52.037 0.102 0.000 0.623 110 A CB -1.107 17.857 19.000 -0.059 0.000 0.818 110 A HN 0.059 8.447 8.150 0.535 0.083 0.443 111 I N -1.515 119.031 120.570 -0.039 0.000 2.286 111 I HA -0.600 nan 4.170 nan 0.000 0.248 111 I C 1.548 177.664 176.117 -0.002 0.000 1.115 111 I CA 4.198 65.472 61.300 -0.042 0.000 1.392 111 I CB -0.253 37.722 38.000 -0.041 0.000 1.065 111 I HN -0.468 7.728 8.210 -0.025 0.000 0.418 112 E N 0.691 120.918 120.200 0.045 0.000 2.110 112 E HA -0.352 nan 4.350 nan 0.000 0.193 112 E C 2.609 179.236 176.600 0.045 0.000 0.988 112 E CA 3.405 59.840 56.400 0.059 0.000 0.804 112 E CB -0.074 29.700 29.700 0.123 0.000 0.745 112 E HN -0.574 7.746 8.360 0.073 0.084 0.458 113 L N -0.636 120.619 121.223 0.053 0.000 2.046 113 L HA -0.279 nan 4.340 nan 0.000 0.208 113 L C 2.183 179.057 176.870 0.007 0.000 1.077 113 L CA 2.692 57.552 54.840 0.033 0.000 0.747 113 L CB -0.669 41.419 42.059 0.049 0.000 0.896 113 L HN -0.331 7.857 8.230 0.088 0.095 0.432 114 I N -0.181 120.363 120.570 -0.042 0.000 2.142 114 I HA -0.664 nan 4.170 nan 0.000 0.240 114 I C 2.410 178.528 176.117 0.002 0.000 1.078 114 I CA 4.581 65.856 61.300 -0.041 0.000 1.343 114 I CB -0.628 37.320 38.000 -0.087 0.000 1.046 114 I HN 0.388 8.485 8.210 -0.071 0.071 0.405 115 N N 0.807 119.510 118.700 0.005 0.000 2.258 115 N HA -0.229 nan 4.740 nan 0.000 0.187 115 N C 0.882 176.402 175.510 0.016 0.000 1.012 115 N CA 2.782 55.840 53.050 0.014 0.000 0.870 115 N CB -0.334 38.161 38.487 0.013 0.000 0.977 115 N HN 0.201 8.473 8.380 -0.002 0.107 0.434 116 K N -3.097 117.313 120.400 0.018 0.000 2.404 116 K HA 0.043 nan 4.320 nan 0.000 0.194 116 K C 0.187 176.808 176.600 0.035 0.000 1.023 116 K CA -0.324 55.974 56.287 0.019 0.000 1.094 116 K CB -0.000 32.504 32.500 0.006 0.000 0.841 116 K HN -0.791 7.325 8.250 0.017 0.145 0.523 117 G N -1.437 107.388 108.800 0.043 0.000 2.153 117 G HA2 -0.381 nan 3.960 nan 0.000 0.252 117 G HA3 -0.381 nan 3.960 nan 0.000 0.252 117 G C -0.068 174.891 174.900 0.098 0.000 0.994 117 G CA 1.096 46.232 45.100 0.059 0.000 0.698 117 G HN 0.249 8.355 8.290 0.035 0.204 0.521 118 L N -1.421 119.873 121.223 0.117 0.000 2.685 118 L HA 0.132 nan 4.340 nan 0.000 0.233 118 L C -1.733 175.265 176.870 0.215 0.000 1.173 118 L CA -0.686 54.282 54.840 0.214 0.000 0.961 118 L CB -0.593 41.615 42.059 0.250 0.000 1.217 118 L HN -0.119 8.115 8.230 0.083 0.046 0.478 119 A N -2.882 120.020 122.820 0.136 0.000 2.594 119 A HA 0.485 nan 4.320 nan 0.000 0.296 119 A C -2.310 175.326 177.584 0.086 0.000 1.061 119 A CA 0.083 52.141 52.037 0.035 0.000 0.689 119 A CB 2.716 21.644 19.000 -0.120 0.000 1.280 119 A HN -0.662 7.480 8.150 0.125 0.084 0.406 120 Y N -3.619 116.611 120.300 -0.117 0.000 2.638 120 Y HA 0.324 nan 4.550 nan 0.000 0.335 120 Y C -2.598 173.231 175.900 -0.118 0.000 1.155 120 Y CA -2.143 55.901 58.100 -0.093 0.000 1.046 120 Y CB 1.896 40.335 38.460 -0.036 0.000 1.303 120 Y HN 0.156 8.176 8.280 -0.435 0.000 0.460 121 V N 1.694 121.603 119.914 -0.008 0.000 2.368 121 V HA 0.124 nan 4.120 nan 0.000 0.266 121 V C -0.977 175.097 176.094 -0.034 0.000 1.045 121 V CA -0.093 62.140 62.300 -0.111 0.000 0.899 121 V CB -0.615 31.182 31.823 -0.044 0.000 1.006 121 V HN 0.468 8.732 8.190 0.123 0.000 0.470 122 D N 6.770 127.071 120.400 -0.166 0.000 2.229 122 D HA 0.288 nan 4.640 nan 0.000 0.249 122 D C -0.970 175.129 176.300 -0.336 0.000 1.027 122 D CA -1.306 52.654 54.000 -0.067 0.000 0.923 122 D CB 3.344 44.133 40.800 -0.017 0.000 1.174 122 D HN 0.117 8.299 8.370 -0.314 0.000 0.443 123 E N 1.703 121.538 120.200 -0.608 0.000 2.660 123 E HA 0.174 nan 4.350 nan 0.000 0.216 123 E C -0.707 175.669 176.600 -0.373 0.000 0.986 123 E CA -0.970 55.032 56.400 -0.663 0.000 1.037 123 E CB 0.979 30.105 29.700 -0.957 0.000 1.041 123 E HN 0.337 8.263 8.360 -0.722 0.000 0.480 124 L N 0.545 121.670 121.223 -0.164 0.000 2.455 124 L HA -0.114 nan 4.340 nan 0.000 0.272 124 L C 0.957 177.777 176.870 -0.083 0.000 1.174 124 L CA 0.117 54.918 54.840 -0.064 0.000 0.869 124 L CB 0.123 42.098 42.059 -0.141 0.000 1.130 124 L HN -0.619 7.771 8.230 -0.130 -0.237 0.474 125 T N 2.894 117.424 114.554 -0.041 0.000 2.734 125 T HA 0.136 nan 4.350 nan 0.000 0.314 125 T C -0.339 174.351 174.700 -0.017 0.000 1.057 125 T CA -0.960 61.126 62.100 -0.024 0.000 1.047 125 T CB -0.296 68.578 68.868 0.009 0.000 0.991 125 T HN -0.025 8.448 8.240 -0.015 -0.242 0.540 126 P HA -0.160 nan 4.420 nan 0.000 0.218 126 P C 1.584 178.894 177.300 0.017 0.000 1.149 126 P CA 2.891 65.993 63.100 0.002 0.000 0.817 126 P CB 0.094 31.801 31.700 0.011 0.000 0.785 127 E N -2.763 117.453 120.200 0.026 0.000 2.072 127 E HA -0.248 nan 4.350 nan 0.000 0.190 127 E C 2.516 179.151 176.600 0.059 0.000 0.982 127 E CA 3.308 59.731 56.400 0.040 0.000 0.803 127 E CB -0.988 28.737 29.700 0.043 0.000 0.755 127 E HN 0.099 8.458 8.360 0.024 0.016 0.453 128 Q N 0.053 119.888 119.800 0.059 0.000 2.084 128 Q HA -0.308 nan 4.340 nan 0.000 0.202 128 Q C 2.519 178.576 176.000 0.096 0.000 0.978 128 Q CA 3.007 58.868 55.803 0.097 0.000 0.844 128 Q CB 0.052 28.809 28.738 0.032 0.000 0.898 128 Q HN -0.538 7.756 8.270 0.040 0.000 0.426 129 I N -0.530 120.052 120.570 0.020 0.000 2.248 129 I HA -0.512 nan 4.170 nan 0.000 0.248 129 I C 0.875 177.041 176.117 0.083 0.000 1.107 129 I CA 3.281 64.595 61.300 0.023 0.000 1.373 129 I CB 0.090 38.084 38.000 -0.011 0.000 1.055 129 I HN -0.016 8.194 8.210 -0.001 0.000 0.418 130 R N -1.318 119.226 120.500 0.073 0.000 2.066 130 R HA -0.348 nan 4.340 nan 0.000 0.232 130 R C 2.739 179.096 176.300 0.096 0.000 1.131 130 R CA 3.273 59.413 56.100 0.068 0.000 0.955 130 R CB -0.506 29.823 30.300 0.047 0.000 0.851 130 R HN -0.604 7.690 8.270 0.059 0.012 0.432 131 E N -0.093 120.186 120.200 0.131 0.000 2.058 131 E HA -0.330 nan 4.350 nan 0.000 0.194 131 E C 2.829 179.517 176.600 0.145 0.000 0.997 131 E CA 2.997 59.476 56.400 0.132 0.000 0.801 131 E CB -0.127 29.674 29.700 0.169 0.000 0.746 131 E HN -0.598 7.774 8.360 0.132 0.067 0.450 132 Y N -2.720 117.590 120.300 0.017 0.000 2.509 132 Y HA -0.162 nan 4.550 nan 0.000 0.293 132 Y C 1.178 177.086 175.900 0.012 0.000 1.133 132 Y CA 2.204 60.314 58.100 0.017 0.000 1.283 132 Y CB -0.289 38.189 38.460 0.030 0.000 1.001 132 Y HN 0.322 8.886 8.280 0.474 0.000 0.555 133 R N -1.115 119.479 120.500 0.156 0.000 2.285 133 R HA -0.300 nan 4.340 nan 0.000 0.213 133 R C 0.118 176.444 176.300 0.043 0.000 1.068 133 R CA 1.171 57.322 56.100 0.086 0.000 1.004 133 R CB 0.296 30.633 30.300 0.063 0.000 0.873 133 R HN -0.585 7.620 8.270 0.162 0.162 0.467 134 G N -3.378 105.438 108.800 0.027 0.000 2.615 134 G HA2 -0.509 nan 3.960 nan 0.000 0.218 134 G HA3 -0.509 nan 3.960 nan 0.000 0.218 134 G C -1.056 173.843 174.900 -0.002 0.000 1.339 134 G CA -0.641 44.459 45.100 0.000 0.000 0.884 134 G HN -0.919 7.338 8.290 0.034 0.054 0.559 135 T N -3.762 110.785 114.554 -0.012 0.000 2.626 135 T HA 0.279 nan 4.350 nan 0.000 0.279 135 T C 0.475 175.161 174.700 -0.023 0.000 0.983 135 T CA -1.548 60.543 62.100 -0.015 0.000 1.059 135 T CB 2.252 71.109 68.868 -0.018 0.000 1.396 135 T HN 0.290 8.411 8.240 -0.016 0.110 0.519 136 L N -1.239 119.967 121.223 -0.029 0.000 2.551 136 L HA -0.033 nan 4.340 nan 0.000 0.228 136 L C 0.548 177.391 176.870 -0.045 0.000 1.153 136 L CA 2.088 56.904 54.840 -0.040 0.000 0.851 136 L CB -0.528 41.505 42.059 -0.044 0.000 0.959 136 L HN 0.402 8.616 8.230 -0.027 0.000 0.451 137 T N -8.926 105.605 114.554 -0.037 0.000 3.087 137 T HA 0.129 nan 4.350 nan 0.000 0.283 137 T C -0.372 174.309 174.700 -0.033 0.000 0.956 137 T CA -0.152 61.925 62.100 -0.038 0.000 0.894 137 T CB 0.914 69.760 68.868 -0.035 0.000 1.160 137 T HN -0.586 7.578 8.240 -0.032 0.058 0.532 138 Q N 2.753 122.536 119.800 -0.029 0.000 2.331 138 Q HA 0.596 nan 4.340 nan 0.000 0.267 138 Q C -2.475 173.511 176.000 -0.024 0.000 1.006 138 Q CA -3.626 52.160 55.803 -0.027 0.000 0.818 138 Q CB 2.079 30.800 28.738 -0.028 0.000 1.276 138 Q HN -0.575 7.678 8.270 -0.028 0.000 0.450 139 P HA 0.250 nan 4.420 nan 0.000 0.272 139 P C -0.949 176.343 177.300 -0.014 0.000 1.240 139 P CA -0.459 62.632 63.100 -0.015 0.000 0.791 139 P CB 0.864 32.556 31.700 -0.013 0.000 0.978 140 G N -0.627 108.174 108.800 0.001 0.000 2.535 140 G HA2 0.359 nan 3.960 nan 0.000 0.282 140 G HA3 0.359 nan 3.960 nan 0.000 0.282 140 G C -2.044 172.860 174.900 0.007 0.000 1.350 140 G CA -0.705 44.403 45.100 0.013 0.000 1.039 140 G HN 0.266 8.560 8.290 0.007 0.000 0.509 141 K N -2.303 118.118 120.400 0.035 0.000 2.477 141 K HA 0.247 nan 4.320 nan 0.000 0.255 141 K C -1.124 175.575 176.600 0.165 0.000 0.952 141 K CA -1.689 54.617 56.287 0.031 0.000 0.826 141 K CB 2.618 35.053 32.500 -0.107 0.000 1.331 141 K HN 0.341 8.642 8.250 0.084 0.000 0.437 142 N N 1.442 120.212 118.700 0.117 0.000 2.483 142 N HA -0.032 nan 4.740 nan 0.000 0.264 142 N C 0.004 175.635 175.510 0.203 0.000 1.197 142 N CA 0.346 53.467 53.050 0.119 0.000 0.927 142 N CB 0.344 38.842 38.487 0.018 0.000 1.065 142 N HN 0.145 8.559 8.380 0.057 0.000 0.461 143 S N 4.515 120.288 115.700 0.122 0.000 2.568 143 S HA 0.095 nan 4.470 nan 0.000 0.282 143 S C 0.835 175.383 174.600 -0.087 0.000 1.338 143 S CA -2.225 55.966 58.200 -0.015 0.000 1.045 143 S CB 0.847 64.090 63.200 0.072 0.000 0.873 143 S HN 0.277 8.652 8.310 0.108 0.000 0.516 144 P HA 0.002 nan 4.420 nan 0.000 0.237 144 P C -0.586 176.414 177.300 -0.500 0.000 1.178 144 P CA 1.386 64.257 63.100 -0.382 0.000 0.766 144 P CB 0.056 31.451 31.700 -0.507 0.000 0.876 145 Y N -2.749 117.512 120.300 -0.064 0.000 2.485 145 Y HA 0.148 nan 4.550 nan 0.000 0.260 145 Y C 0.955 176.735 175.900 -0.199 0.000 1.173 145 Y CA -0.831 57.238 58.100 -0.052 0.000 1.252 145 Y CB -0.572 37.908 38.460 0.033 0.000 1.123 145 Y HN -0.285 7.812 8.280 -0.176 0.077 0.524 146 R N 1.072 121.389 120.500 -0.305 0.000 2.115 146 R HA -0.308 nan 4.340 nan 0.000 0.230 146 R C -0.740 175.266 176.300 -0.490 0.000 1.111 146 R CA 3.420 59.053 56.100 -0.777 0.000 0.976 146 R CB 0.213 30.178 30.300 -0.557 0.000 0.870 146 R HN -0.748 7.220 8.270 -0.223 0.168 0.445 147 D N -3.228 117.034 120.400 -0.230 0.000 2.722 147 D HA 0.059 nan 4.640 nan 0.000 0.239 147 D C -0.364 175.903 176.300 -0.056 0.000 1.249 147 D CA -0.586 53.336 54.000 -0.130 0.000 0.830 147 D CB -0.994 39.751 40.800 -0.093 0.000 1.025 147 D HN -0.036 8.222 8.370 -0.188 0.000 0.486 148 R N -0.062 120.422 120.500 -0.026 0.000 2.738 148 R HA 0.079 nan 4.340 nan 0.000 0.268 148 R C -0.032 176.286 176.300 0.031 0.000 1.062 148 R CA 0.146 56.267 56.100 0.035 0.000 1.158 148 R CB 0.732 31.087 30.300 0.091 0.000 1.046 148 R HN -0.702 7.461 8.270 -0.060 0.071 0.493 149 S N -0.958 114.765 115.700 0.038 0.000 2.603 149 S HA 0.069 nan 4.470 nan 0.000 0.268 149 S C 1.597 176.223 174.600 0.043 0.000 1.317 149 S CA -0.940 57.279 58.200 0.033 0.000 1.012 149 S CB 1.569 64.788 63.200 0.030 0.000 0.926 149 S HN -0.138 8.345 8.310 0.044 -0.147 0.539 150 V N 4.490 124.426 119.914 0.037 0.000 2.332 150 V HA -0.382 nan 4.120 nan 0.000 0.248 150 V C 2.072 178.192 176.094 0.043 0.000 1.055 150 V CA 3.655 65.978 62.300 0.038 0.000 1.038 150 V CB -0.804 31.037 31.823 0.029 0.000 0.651 150 V HN 0.752 8.960 8.190 0.030 0.000 0.450 151 E N -1.953 118.270 120.200 0.040 0.000 2.085 151 E HA -0.324 nan 4.350 nan 0.000 0.194 151 E C 2.559 179.191 176.600 0.054 0.000 0.994 151 E CA 3.403 59.828 56.400 0.042 0.000 0.801 151 E CB -0.815 28.905 29.700 0.034 0.000 0.743 151 E HN 0.515 8.890 8.360 0.034 0.006 0.453 152 E N -0.230 120.005 120.200 0.058 0.000 2.106 152 E HA -0.320 nan 4.350 nan 0.000 0.192 152 E C 2.246 178.901 176.600 0.092 0.000 0.984 152 E CA 2.718 59.162 56.400 0.073 0.000 0.806 152 E CB -0.115 29.630 29.700 0.075 0.000 0.750 152 E HN -0.388 7.895 8.360 0.052 0.109 0.458 153 N N 0.682 119.434 118.700 0.087 0.000 2.142 153 N HA -0.288 nan 4.740 nan 0.000 0.186 153 N C 2.513 178.093 175.510 0.117 0.000 1.023 153 N CA 3.326 56.431 53.050 0.092 0.000 0.852 153 N CB -0.002 38.523 38.487 0.063 0.000 0.998 153 N HN -0.071 8.280 8.380 0.075 0.074 0.424 154 L N -0.624 120.660 121.223 0.101 0.000 2.012 154 L HA -0.334 nan 4.340 nan 0.000 0.210 154 L C 1.597 178.550 176.870 0.138 0.000 1.073 154 L CA 2.933 57.849 54.840 0.126 0.000 0.748 154 L CB -1.477 40.631 42.059 0.082 0.000 0.891 154 L HN 0.234 8.510 8.230 0.077 0.000 0.431 155 A N -0.497 122.386 122.820 0.104 0.000 1.865 155 A HA -0.324 nan 4.320 nan 0.000 0.217 155 A C 2.506 180.164 177.584 0.123 0.000 1.191 155 A CA 3.208 55.298 52.037 0.090 0.000 0.623 155 A CB -0.739 18.303 19.000 0.071 0.000 0.826 155 A HN -0.506 7.699 8.150 0.091 0.000 0.444 156 L N -2.171 119.153 121.223 0.167 0.000 2.083 156 L HA -0.272 nan 4.340 nan 0.000 0.209 156 L C 2.198 179.250 176.870 0.303 0.000 1.083 156 L CA 2.167 57.160 54.840 0.255 0.000 0.752 156 L CB -1.294 40.904 42.059 0.233 0.000 0.899 156 L HN -0.082 8.237 8.230 0.148 0.000 0.433 157 F N 0.912 120.896 119.950 0.057 0.000 2.113 157 F HA -0.406 nan 4.527 nan 0.000 0.297 157 F C 1.784 177.608 175.800 0.040 0.000 1.103 157 F CA 2.990 60.995 58.000 0.008 0.000 1.248 157 F CB -0.133 38.830 39.000 -0.062 0.000 0.999 157 F HN 0.395 8.776 8.300 0.312 0.105 0.475 158 E N -0.361 119.837 120.200 -0.004 0.000 2.153 158 E HA -0.400 nan 4.350 nan 0.000 0.194 158 E C 2.165 178.718 176.600 -0.078 0.000 0.988 158 E CA 2.797 59.137 56.400 -0.100 0.000 0.811 158 E CB -0.618 29.069 29.700 -0.022 0.000 0.746 158 E HN 0.061 8.496 8.360 0.126 0.000 0.466 159 K N -0.508 119.899 120.400 0.011 0.000 2.057 159 K HA -0.270 nan 4.320 nan 0.000 0.206 159 K C 2.201 178.834 176.600 0.056 0.000 1.050 159 K CA 3.107 59.393 56.287 -0.001 0.000 0.935 159 K CB -0.243 32.251 32.500 -0.010 0.000 0.715 159 K HN -0.474 7.708 8.250 0.071 0.111 0.439 160 M N -0.946 118.762 119.600 0.180 0.000 2.086 160 M HA -0.392 nan 4.480 nan 0.000 0.261 160 M C 2.772 179.046 176.300 -0.042 0.000 1.067 160 M CA 4.018 59.432 55.300 0.191 0.000 1.116 160 M CB -0.039 32.642 32.600 0.135 0.000 1.348 160 M HN -0.149 8.175 8.290 0.201 0.086 0.407 161 R N -0.249 120.124 120.500 -0.212 0.000 2.096 161 R HA -0.274 nan 4.340 nan 0.000 0.235 161 R C 1.316 177.511 176.300 -0.174 0.000 1.127 161 R CA 2.989 58.929 56.100 -0.266 0.000 0.968 161 R CB 0.117 30.186 30.300 -0.385 0.000 0.861 161 R HN 0.102 8.140 8.270 -0.277 0.067 0.440 162 A N -4.635 118.112 122.820 -0.122 0.000 2.235 162 A HA 0.007 nan 4.320 nan 0.000 0.208 162 A C -0.076 177.503 177.584 -0.008 0.000 1.172 162 A CA 0.283 52.269 52.037 -0.085 0.000 0.786 162 A CB 0.015 18.965 19.000 -0.084 0.000 0.804 162 A HN -0.156 7.722 8.150 -0.117 0.203 0.479 163 G N -2.307 106.525 108.800 0.053 0.000 2.160 163 G HA2 -0.307 nan 3.960 nan 0.000 0.244 163 G HA3 -0.307 nan 3.960 nan 0.000 0.244 163 G C 0.800 175.813 174.900 0.189 0.000 1.022 163 G CA -0.056 45.190 45.100 0.244 0.000 0.741 163 G HN -0.423 7.662 8.290 0.008 0.211 0.508 164 G N -1.982 106.840 108.800 0.036 0.000 2.813 164 G HA2 -0.065 nan 3.960 nan 0.000 0.209 164 G HA3 -0.065 nan 3.960 nan 0.000 0.209 164 G C -1.201 173.562 174.900 -0.229 0.000 1.150 164 G CA -0.241 44.775 45.100 -0.141 0.000 0.785 164 G HN 0.322 8.601 8.290 0.023 0.025 0.535 165 F N -2.042 117.982 119.950 0.124 0.000 2.522 165 F HA 0.226 nan 4.527 nan 0.000 0.324 165 F C -0.488 175.452 175.800 0.232 0.000 1.077 165 F CA -2.028 56.042 58.000 0.118 0.000 0.944 165 F CB 2.527 41.564 39.000 0.061 0.000 1.175 165 F HN -0.660 7.752 8.300 0.276 0.054 0.468 166 E N 1.699 122.146 120.200 0.411 0.000 2.371 166 E HA -0.005 nan 4.350 nan 0.000 0.257 166 E C -0.858 175.941 176.600 0.331 0.000 1.134 166 E CA -0.850 55.771 56.400 0.369 0.000 0.919 166 E CB 1.092 30.918 29.700 0.210 0.000 1.025 166 E HN 0.157 8.752 8.360 0.392 0.000 0.438 167 E N 0.852 121.259 120.200 0.346 0.000 2.452 167 E HA -0.425 nan 4.350 nan 0.000 0.261 167 E C 0.611 177.282 176.600 0.119 0.000 0.987 167 E CA 1.918 58.439 56.400 0.202 0.000 0.926 167 E CB -0.273 29.553 29.700 0.211 0.000 0.934 167 E HN 0.364 8.983 8.360 0.433 0.000 0.452 168 G N 4.881 113.716 108.800 0.059 0.000 2.284 168 G HA2 -0.384 nan 3.960 nan 0.000 0.261 168 G HA3 -0.384 nan 3.960 nan 0.000 0.261 168 G C 0.200 175.090 174.900 -0.017 0.000 0.997 168 G CA 0.720 45.832 45.100 0.019 0.000 0.621 168 G HN 0.777 9.094 8.290 0.046 0.000 0.534 169 K N 0.050 120.454 120.400 0.006 0.000 2.362 169 K HA -0.138 nan 4.320 nan 0.000 0.200 169 K C -1.528 174.912 176.600 -0.266 0.000 1.046 169 K CA 0.533 56.798 56.287 -0.036 0.000 0.952 169 K CB 0.379 32.963 32.500 0.139 0.000 0.753 169 K HN 0.101 8.172 8.250 0.067 0.220 0.466 170 A N -6.102 116.524 122.820 -0.324 0.000 2.594 170 A HA 0.341 nan 4.320 nan 0.000 0.296 170 A C -2.709 174.704 177.584 -0.285 0.000 1.056 170 A CA -1.028 50.717 52.037 -0.487 0.000 0.693 170 A CB 2.393 20.746 19.000 -1.079 0.000 1.278 170 A HN -0.571 7.431 8.150 -0.185 0.037 0.408 171 C N -3.129 116.021 119.300 -0.249 0.000 3.291 171 C HA 0.948 nan 4.460 nan 0.000 0.316 171 C C -2.525 172.341 174.990 -0.206 0.000 1.391 171 C CA -2.799 56.126 59.018 -0.156 0.000 1.394 171 C CB 4.082 31.746 27.740 -0.127 0.000 1.744 171 C HN 0.258 8.312 8.230 -0.293 0.000 0.461 172 L N -0.101 121.017 121.223 -0.176 0.000 2.307 172 L HA 0.826 nan 4.340 nan 0.000 0.284 172 L C -1.861 174.777 176.870 -0.387 0.000 1.023 172 L CA -0.983 53.661 54.840 -0.328 0.000 0.810 172 L CB 2.737 44.568 42.059 -0.379 0.000 1.231 172 L HN 0.144 8.331 8.230 -0.072 0.000 0.423 173 R N 3.856 123.997 120.500 -0.599 0.000 2.854 173 R HA 0.792 nan 4.340 nan 0.000 0.271 173 R C -1.746 174.285 176.300 -0.450 0.000 0.996 173 R CA -2.784 52.989 56.100 -0.546 0.000 0.961 173 R CB 4.143 34.036 30.300 -0.678 0.000 1.182 173 R HN 0.919 8.715 8.270 -0.791 0.000 0.479 174 A N 1.222 123.875 122.820 -0.279 0.000 2.354 174 A HA 0.206 nan 4.320 nan 0.000 0.269 174 A C -1.452 176.089 177.584 -0.071 0.000 1.109 174 A CA -1.216 50.716 52.037 -0.175 0.000 0.800 174 A CB 0.826 19.619 19.000 -0.344 0.000 1.045 174 A HN 0.763 8.644 8.150 -0.270 0.107 0.489 175 K N 5.105 125.559 120.400 0.091 0.000 2.184 175 K HA 0.152 nan 4.320 nan 0.000 0.259 175 K C -1.004 175.612 176.600 0.027 0.000 1.119 175 K CA -0.090 56.296 56.287 0.166 0.000 0.991 175 K CB -0.825 31.806 32.500 0.219 0.000 1.522 175 K HN 0.061 8.281 8.250 0.156 0.123 0.405 176 I N 3.506 124.008 120.570 -0.113 0.000 5.604 176 I HA 0.243 nan 4.170 nan 0.000 0.236 176 I C -0.739 175.335 176.117 -0.070 0.000 0.847 176 I CA -0.003 61.181 61.300 -0.195 0.000 2.148 176 I CB 1.571 39.264 38.000 -0.513 0.000 1.448 176 I HN 0.190 8.609 8.210 -0.092 -0.264 0.484 177 D N -0.652 119.702 120.400 -0.077 0.000 2.479 177 D HA 0.214 nan 4.640 nan 0.000 0.246 177 D C 0.247 176.544 176.300 -0.005 0.000 1.336 177 D CA -0.856 53.133 54.000 -0.018 0.000 0.967 177 D CB 1.136 41.936 40.800 -0.001 0.000 1.275 177 D HN -0.365 7.929 8.370 -0.127 0.000 0.577 178 M N 5.052 124.658 119.600 0.010 0.000 2.539 178 M HA -0.143 nan 4.480 nan 0.000 0.261 178 M C 0.288 176.599 176.300 0.019 0.000 1.069 178 M CA 1.186 56.500 55.300 0.023 0.000 1.081 178 M CB -0.864 31.760 32.600 0.041 0.000 1.412 178 M HN 0.512 8.809 8.290 0.012 0.000 0.482 179 A N -3.556 119.273 122.820 0.015 0.000 2.390 179 A HA 0.165 nan 4.320 nan 0.000 0.232 179 A C -0.146 177.450 177.584 0.020 0.000 1.233 179 A CA -0.916 51.128 52.037 0.012 0.000 0.907 179 A CB -0.038 18.967 19.000 0.008 0.000 0.967 179 A HN -0.299 8.101 8.150 0.015 -0.242 0.512 180 S N 1.151 116.872 115.700 0.036 0.000 2.563 180 S HA -0.027 nan 4.470 nan 0.000 0.284 180 S C -0.787 173.844 174.600 0.052 0.000 1.331 180 S CA -1.838 56.406 58.200 0.073 0.000 1.047 180 S CB 0.789 64.055 63.200 0.111 0.000 0.859 180 S HN -0.426 7.729 8.310 0.028 0.172 0.514 181 P HA 0.015 nan 4.420 nan 0.000 0.236 181 P C -0.857 176.327 177.300 -0.194 0.000 1.177 181 P CA 0.705 63.742 63.100 -0.105 0.000 0.773 181 P CB 0.291 31.883 31.700 -0.179 0.000 0.878 182 F N -0.221 119.719 119.950 -0.016 0.000 2.390 182 F HA 0.021 nan 4.527 nan 0.000 0.361 182 F C 1.029 176.814 175.800 -0.024 0.000 1.124 182 F CA -0.035 57.955 58.000 -0.016 0.000 1.149 182 F CB -0.016 38.977 39.000 -0.012 0.000 1.160 182 F HN -0.462 7.941 8.300 0.254 0.049 0.501 183 I N 7.041 127.666 120.570 0.092 0.000 2.335 183 I HA -0.350 nan 4.170 nan 0.000 0.251 183 I C 1.434 177.588 176.117 0.062 0.000 1.129 183 I CA 2.750 64.082 61.300 0.053 0.000 1.402 183 I CB -0.386 37.626 38.000 0.019 0.000 1.069 183 I HN 0.414 8.649 8.210 0.041 0.000 0.424 184 V N -1.006 118.966 119.914 0.098 0.000 2.759 184 V HA -0.258 nan 4.120 nan 0.000 0.256 184 V C 0.828 176.919 176.094 -0.004 0.000 1.080 184 V CA 2.490 64.825 62.300 0.058 0.000 1.101 184 V CB -0.503 31.373 31.823 0.089 0.000 0.698 184 V HN -0.252 8.008 8.190 0.153 0.022 0.477 185 M N -3.601 116.002 119.600 0.005 0.000 2.563 185 M HA 0.104 nan 4.480 nan 0.000 0.231 185 M C -0.446 175.791 176.300 -0.106 0.000 1.136 185 M CA -1.084 54.150 55.300 -0.110 0.000 1.026 185 M CB -0.678 31.871 32.600 -0.086 0.000 1.597 185 M HN -0.599 7.606 8.290 0.100 0.146 0.495 186 R N 1.119 121.593 120.500 -0.042 0.000 3.701 186 R HA -0.018 nan 4.340 nan 0.000 0.210 186 R C -1.244 175.034 176.300 -0.037 0.000 1.598 186 R CA -0.429 55.656 56.100 -0.024 0.000 1.427 186 R CB -2.063 28.243 30.300 0.011 0.000 1.339 186 R HN -0.741 7.337 8.270 -0.014 0.183 0.720 187 D N -0.775 119.577 120.400 -0.080 0.000 2.737 187 D HA -0.274 nan 4.640 nan 0.000 0.238 187 D C -1.875 174.359 176.300 -0.110 0.000 1.157 187 D CA 0.910 54.867 54.000 -0.071 0.000 0.694 187 D CB -0.990 39.843 40.800 0.055 0.000 1.021 187 D HN -0.432 7.823 8.370 -0.120 0.043 0.420 188 P HA -0.099 nan 4.420 nan 0.000 0.266 188 P C -0.736 176.474 177.300 -0.150 0.000 1.195 188 P CA -0.300 62.728 63.100 -0.119 0.000 0.768 188 P CB 0.501 32.133 31.700 -0.112 0.000 0.838 189 V N 1.303 121.147 119.914 -0.117 0.000 2.637 189 V HA 0.034 nan 4.120 nan 0.000 0.296 189 V C 0.288 176.291 176.094 -0.152 0.000 1.046 189 V CA 1.495 63.710 62.300 -0.141 0.000 1.066 189 V CB -0.155 31.614 31.823 -0.090 0.000 0.968 189 V HN -0.008 8.136 8.190 -0.078 0.000 0.483 190 L N 5.176 126.262 121.223 -0.227 0.000 2.388 190 L HA 0.287 nan 4.340 nan 0.000 0.209 190 L C -0.658 175.973 176.870 -0.399 0.000 1.061 190 L CA 0.671 55.288 54.840 -0.371 0.000 0.834 190 L CB 1.881 43.572 42.059 -0.614 0.000 1.029 190 L HN 0.684 8.668 8.230 -0.231 0.107 0.473 191 Y N -3.645 116.548 120.300 -0.180 0.000 2.492 191 Y HA 0.343 nan 4.550 nan 0.000 0.346 191 Y C -1.926 173.946 175.900 -0.047 0.000 0.997 191 Y CA -1.076 56.988 58.100 -0.060 0.000 1.025 191 Y CB 3.973 42.458 38.460 0.042 0.000 1.263 191 Y HN -0.717 7.534 8.280 -0.049 0.000 0.454 192 R N -1.375 119.212 120.500 0.145 0.000 2.808 192 R HA 0.705 nan 4.340 nan 0.000 0.272 192 R C -1.874 174.477 176.300 0.086 0.000 0.995 192 R CA -2.376 53.769 56.100 0.075 0.000 0.917 192 R CB 2.627 32.951 30.300 0.041 0.000 1.217 192 R HN 0.112 8.478 8.270 0.160 0.000 0.471 193 I N 0.712 121.294 120.570 0.021 0.000 2.342 193 I HA 0.276 nan 4.170 nan 0.000 0.291 193 I C -0.310 175.778 176.117 -0.049 0.000 1.010 193 I CA 0.251 61.509 61.300 -0.069 0.000 1.308 193 I CB 0.444 38.374 38.000 -0.117 0.000 1.400 193 I HN 0.460 8.675 8.210 0.008 0.000 0.488 194 K N 6.126 126.502 120.400 -0.041 0.000 2.637 194 K HA 0.259 nan 4.320 nan 0.000 0.248 194 K C -0.505 176.123 176.600 0.047 0.000 0.971 194 K CA -0.607 55.720 56.287 0.067 0.000 0.858 194 K CB 2.633 35.221 32.500 0.147 0.000 1.170 194 K HN 0.627 8.739 8.250 -0.053 0.105 0.443 195 F N 6.311 126.378 119.950 0.195 0.000 2.640 195 F HA 0.004 nan 4.527 nan 0.000 0.354 195 F C -0.999 174.900 175.800 0.164 0.000 1.213 195 F CA -0.500 57.605 58.000 0.174 0.000 1.314 195 F CB -1.086 37.980 39.000 0.111 0.000 1.679 195 F HN 0.197 8.983 8.300 0.268 -0.325 0.622 196 A N 2.006 125.011 122.820 0.308 0.000 2.365 196 A HA 0.383 nan 4.320 nan 0.000 0.318 196 A C -2.145 175.590 177.584 0.251 0.000 1.091 196 A CA -1.573 50.590 52.037 0.211 0.000 0.763 196 A CB 2.537 21.596 19.000 0.097 0.000 1.248 196 A HN -0.643 7.661 8.150 0.360 0.062 0.442 197 E N 1.537 121.859 120.200 0.203 0.000 2.360 197 E HA -0.133 nan 4.350 nan 0.000 0.269 197 E C -1.034 175.706 176.600 0.232 0.000 1.022 197 E CA -0.440 56.091 56.400 0.218 0.000 0.887 197 E CB 0.641 30.429 29.700 0.147 0.000 0.990 197 E HN 0.325 8.782 8.360 0.163 0.000 0.426 198 H N 6.695 125.875 119.070 0.183 0.000 2.473 198 H HA 0.256 nan 4.556 nan 0.000 0.327 198 H C 0.610 175.964 175.328 0.043 0.000 1.105 198 H CA -0.848 55.271 56.048 0.119 0.000 1.280 198 H CB 2.670 32.580 29.762 0.246 0.000 1.450 198 H HN 0.762 9.160 8.280 0.401 0.123 0.492 199 H N 3.044 121.938 119.070 -0.293 0.000 2.560 199 H HA -0.149 nan 4.556 nan 0.000 0.283 199 H C 0.187 175.444 175.328 -0.119 0.000 1.028 199 H CA 1.868 57.800 56.048 -0.195 0.000 1.221 199 H CB -0.423 29.188 29.762 -0.252 0.000 1.363 199 H HN 0.629 8.573 8.280 -0.560 0.000 0.594 200 Q N -2.196 117.473 119.800 -0.220 0.000 2.586 200 Q HA 0.109 nan 4.340 nan 0.000 0.243 200 Q C 1.284 177.303 176.000 0.031 0.000 0.846 200 Q CA 1.214 56.939 55.803 -0.131 0.000 0.959 200 Q CB 1.560 30.116 28.738 -0.303 0.000 1.227 200 Q HN -0.315 7.787 8.270 -0.147 0.080 0.611 201 T N -5.140 109.556 114.554 0.237 0.000 3.163 201 T HA 0.386 nan 4.350 nan 0.000 0.252 201 T C 1.175 176.012 174.700 0.229 0.000 1.056 201 T CA -0.673 61.565 62.100 0.230 0.000 0.947 201 T CB 0.681 69.777 68.868 0.379 0.000 1.016 201 T HN -0.441 8.132 8.240 0.555 0.000 0.554 202 G N 2.934 111.857 108.800 0.205 0.000 2.651 202 G HA2 -0.552 nan 3.960 nan 0.000 0.315 202 G HA3 -0.552 nan 3.960 nan 0.000 0.315 202 G C -1.224 173.802 174.900 0.210 0.000 1.258 202 G CA 1.542 46.741 45.100 0.165 0.000 1.002 202 G HN 0.180 8.523 8.290 0.191 0.061 0.551 203 N N 2.737 121.520 118.700 0.138 0.000 2.273 203 N HA 0.076 nan 4.740 nan 0.000 0.231 203 N C 0.389 175.932 175.510 0.056 0.000 1.134 203 N CA -0.444 52.688 53.050 0.137 0.000 0.856 203 N CB -0.114 38.434 38.487 0.103 0.000 1.068 203 N HN 0.121 8.556 8.380 0.091 0.000 0.510 204 K N 1.109 121.521 120.400 0.021 0.000 2.057 204 K HA -0.208 nan 4.320 nan 0.000 0.207 204 K C -0.245 176.113 176.600 -0.402 0.000 1.049 204 K CA 2.909 59.066 56.287 -0.218 0.000 0.931 204 K CB 0.389 32.734 32.500 -0.257 0.000 0.714 204 K HN -0.393 7.839 8.250 0.106 0.081 0.440 205 W N -3.308 117.911 121.300 -0.135 0.000 2.606 205 W HA 0.081 nan 4.660 nan 0.000 0.332 205 W C -0.672 175.608 176.519 -0.397 0.000 1.052 205 W CA -1.349 55.771 57.345 -0.375 0.000 1.223 205 W CB 2.120 31.155 29.460 -0.708 0.000 1.383 205 W HN -0.628 7.686 8.180 0.224 0.000 0.524 206 C N -2.638 116.555 119.300 -0.179 0.000 3.491 206 C HA 0.299 nan 4.460 nan 0.000 0.298 206 C C -1.249 173.542 174.990 -0.332 0.000 1.424 206 C CA -1.648 57.233 59.018 -0.229 0.000 1.772 206 C CB 0.876 28.447 27.740 -0.281 0.000 2.447 206 C HN 0.618 8.760 8.230 -0.147 0.000 0.670 207 I N -3.433 116.921 120.570 -0.359 0.000 2.474 207 I HA 0.696 nan 4.170 nan 0.000 0.294 207 I C -2.027 173.815 176.117 -0.459 0.000 1.005 207 I CA -1.632 59.547 61.300 -0.201 0.000 1.113 207 I CB 2.798 40.750 38.000 -0.080 0.000 1.289 207 I HN -1.018 7.007 8.210 -0.309 0.000 0.436 208 Y N 3.287 123.577 120.300 -0.017 0.000 2.477 208 Y HA 0.497 nan 4.550 nan 0.000 0.347 208 Y C -1.907 173.831 175.900 -0.270 0.000 0.981 208 Y CA -2.766 55.183 58.100 -0.252 0.000 1.033 208 Y CB 3.065 41.410 38.460 -0.190 0.000 1.245 208 Y HN 0.302 8.697 8.280 0.192 0.000 0.455 209 P HA 0.293 nan 4.420 nan 0.000 0.278 209 P C -1.312 175.898 177.300 -0.151 0.000 1.238 209 P CA -0.581 62.187 63.100 -0.554 0.000 0.794 209 P CB 0.827 32.284 31.700 -0.405 0.000 0.955 210 M N 1.093 120.617 119.600 -0.126 0.000 2.227 210 M HA 0.056 nan 4.480 nan 0.000 0.316 210 M C 1.249 177.610 176.300 0.102 0.000 1.144 210 M CA -1.271 54.046 55.300 0.029 0.000 1.121 210 M CB -0.093 32.518 32.600 0.019 0.000 1.440 210 M HN 0.197 8.336 8.290 -0.252 0.000 0.473 211 Y N 2.779 123.124 120.300 0.074 0.000 2.040 211 Y HA -0.552 nan 4.550 nan 0.000 0.275 211 Y C 1.414 177.379 175.900 0.108 0.000 1.171 211 Y CA 4.786 62.945 58.100 0.098 0.000 1.123 211 Y CB -0.264 38.257 38.460 0.102 0.000 0.963 211 Y HN 0.351 8.807 8.280 0.293 0.000 0.493 212 D N -2.109 118.223 120.400 -0.114 0.000 2.178 212 D HA -0.397 nan 4.640 nan 0.000 0.201 212 D C 2.382 178.627 176.300 -0.092 0.000 0.980 212 D CA 3.602 57.509 54.000 -0.156 0.000 0.842 212 D CB -0.700 40.160 40.800 0.100 0.000 0.948 212 D HN 0.179 8.685 8.370 0.227 0.000 0.472 213 F N 0.386 120.230 119.950 -0.177 0.000 2.187 213 F HA -0.115 nan 4.527 nan 0.000 0.295 213 F C 1.024 176.698 175.800 -0.211 0.000 1.091 213 F CA 2.588 60.484 58.000 -0.173 0.000 1.308 213 F CB 0.345 39.243 39.000 -0.169 0.000 1.030 213 F HN -0.838 7.536 8.300 0.123 0.000 0.487 214 T N 2.594 117.011 114.554 -0.228 0.000 2.857 214 T HA -0.265 nan 4.350 nan 0.000 0.266 214 T C 1.967 176.467 174.700 -0.333 0.000 1.048 214 T CA 4.884 66.823 62.100 -0.269 0.000 1.139 214 T CB -0.501 68.335 68.868 -0.054 0.000 0.874 214 T HN -0.118 8.076 8.240 -0.078 0.000 0.455 215 H N 2.215 121.004 119.070 -0.467 0.000 2.321 215 H HA -0.214 nan 4.556 nan 0.000 0.300 215 H C 1.715 176.777 175.328 -0.443 0.000 1.087 215 H CA 4.778 60.556 56.048 -0.449 0.000 1.319 215 H CB 0.564 29.919 29.762 -0.678 0.000 1.379 215 H HN 0.388 8.443 8.280 -0.376 0.000 0.501 216 C N -3.565 115.387 119.300 -0.580 0.000 2.466 216 C HA -0.130 nan 4.460 nan 0.000 0.278 216 C C 1.800 176.353 174.990 -0.729 0.000 1.288 216 C CA 2.218 60.643 59.018 -0.990 0.000 1.722 216 C CB -1.103 25.796 27.740 -1.401 0.000 2.017 216 C HN -0.350 7.565 8.230 -0.525 0.000 0.488 217 I N 1.594 121.759 120.570 -0.675 0.000 2.226 217 I HA -0.608 nan 4.170 nan 0.000 0.245 217 I C 1.975 177.750 176.117 -0.569 0.000 1.100 217 I CA 4.124 65.039 61.300 -0.641 0.000 1.374 217 I CB -0.383 37.192 38.000 -0.707 0.000 1.057 217 I HN -0.676 7.129 8.210 -0.676 0.000 0.413 218 S N 0.794 116.166 115.700 -0.546 0.000 2.368 218 S HA -0.415 nan 4.470 nan 0.000 0.225 218 S C 2.146 176.452 174.600 -0.490 0.000 1.030 218 S CA 3.891 61.745 58.200 -0.578 0.000 0.999 218 S CB -0.296 62.703 63.200 -0.336 0.000 0.844 218 S HN 0.056 8.059 8.310 -0.511 0.000 0.459 219 D N 1.935 122.069 120.400 -0.444 0.000 2.104 219 D HA -0.258 nan 4.640 nan 0.000 0.194 219 D C 2.099 178.221 176.300 -0.296 0.000 0.994 219 D CA 3.210 57.016 54.000 -0.325 0.000 0.830 219 D CB -0.364 40.319 40.800 -0.195 0.000 0.959 219 D HN -0.498 7.573 8.370 -0.498 0.000 0.452 220 A N -0.444 122.172 122.820 -0.340 0.000 1.883 220 A HA -0.210 nan 4.320 nan 0.000 0.217 220 A C 2.987 180.418 177.584 -0.254 0.000 1.186 220 A CA 3.000 54.865 52.037 -0.287 0.000 0.624 220 A CB -0.485 18.302 19.000 -0.356 0.000 0.822 220 A HN 0.131 8.031 8.150 -0.417 0.000 0.444 221 L N -3.404 117.619 121.223 -0.333 0.000 2.083 221 L HA -0.309 nan 4.340 nan 0.000 0.209 221 L C 1.901 178.643 176.870 -0.212 0.000 1.083 221 L CA 2.658 57.322 54.840 -0.293 0.000 0.752 221 L CB -0.142 41.627 42.059 -0.483 0.000 0.899 221 L HN -0.044 7.932 8.230 -0.423 0.000 0.433 222 E N -4.793 115.260 120.200 -0.245 0.000 2.502 222 E HA -0.039 nan 4.350 nan 0.000 0.194 222 E C 0.069 176.560 176.600 -0.182 0.000 1.062 222 E CA -0.114 56.183 56.400 -0.173 0.000 0.867 222 E CB 0.595 30.168 29.700 -0.212 0.000 0.888 222 E HN -0.446 7.721 8.360 -0.321 0.000 0.510 223 G N -1.268 107.441 108.800 -0.152 0.000 2.273 223 G HA2 -0.388 nan 3.960 nan 0.000 0.280 223 G HA3 -0.388 nan 3.960 nan 0.000 0.280 223 G C -0.124 174.699 174.900 -0.128 0.000 1.047 223 G CA 0.358 45.413 45.100 -0.077 0.000 0.869 223 G HN -0.499 7.488 8.290 -0.171 0.200 0.502 224 I N -0.624 119.803 120.570 -0.238 0.000 2.556 224 I HA -0.151 nan 4.170 nan 0.000 0.284 224 I C 0.918 176.979 176.117 -0.093 0.000 1.114 224 I CA -0.130 61.026 61.300 -0.240 0.000 1.418 224 I CB -0.845 37.030 38.000 -0.209 0.000 1.394 224 I HN -0.191 7.878 8.210 -0.236 0.000 0.552 225 T N 4.941 119.456 114.554 -0.066 0.000 3.031 225 T HA 0.060 nan 4.350 nan 0.000 0.254 225 T C 0.016 174.473 174.700 -0.404 0.000 1.060 225 T CA 0.815 62.763 62.100 -0.253 0.000 1.135 225 T CB 0.982 69.567 68.868 -0.472 0.000 0.896 225 T HN 0.867 8.987 8.240 0.006 0.123 0.472 226 H N 2.148 121.179 119.070 -0.065 0.000 3.013 226 H HA 0.402 nan 4.556 nan 0.000 0.326 226 H C -1.558 173.794 175.328 0.039 0.000 0.973 226 H CA -1.401 54.674 56.048 0.045 0.000 1.369 226 H CB 1.811 31.570 29.762 -0.005 0.000 1.598 226 H HN -0.652 7.698 8.280 0.117 0.000 0.518 227 S N 5.437 121.213 115.700 0.127 0.000 2.430 227 S HA 0.285 nan 4.470 nan 0.000 0.289 227 S C -1.408 173.261 174.600 0.116 0.000 1.143 227 S CA -0.251 58.000 58.200 0.086 0.000 1.067 227 S CB 0.469 63.694 63.200 0.042 0.000 0.964 227 S HN 0.841 9.085 8.310 0.072 0.109 0.485 228 L N 4.902 126.216 121.223 0.153 0.000 2.280 228 L HA 0.687 nan 4.340 nan 0.000 0.287 228 L C -0.633 176.415 176.870 0.297 0.000 1.023 228 L CA -1.295 53.700 54.840 0.258 0.000 0.819 228 L CB 0.101 42.290 42.059 0.217 0.000 1.212 228 L HN 0.342 8.648 8.230 0.127 0.000 0.420 229 C N 0.171 119.587 119.300 0.193 0.000 3.235 229 C HA 0.606 nan 4.460 nan 0.000 0.351 229 C C -0.937 173.861 174.990 -0.320 0.000 1.520 229 C CA -2.526 56.488 59.018 -0.007 0.000 1.474 229 C CB 2.583 30.209 27.740 -0.189 0.000 2.019 229 C HN 0.273 8.614 8.230 0.186 0.000 0.446 230 T N -2.599 111.800 114.554 -0.260 0.000 2.874 230 T HA 0.381 nan 4.350 nan 0.000 0.281 230 T C 1.371 175.992 174.700 -0.132 0.000 0.994 230 T CA -0.933 60.899 62.100 -0.447 0.000 1.015 230 T CB 1.475 70.175 68.868 -0.281 0.000 1.028 230 T HN -0.020 8.228 8.240 0.013 0.000 0.523 231 L N 1.722 122.838 121.223 -0.178 0.000 2.137 231 L HA -0.398 nan 4.340 nan 0.000 0.213 231 L C 1.357 178.172 176.870 -0.092 0.000 1.085 231 L CA 3.311 58.101 54.840 -0.084 0.000 0.760 231 L CB -0.423 41.589 42.059 -0.079 0.000 0.893 231 L HN 0.355 8.426 8.230 -0.264 0.000 0.434 232 E N -2.872 117.214 120.200 -0.190 0.000 2.515 232 E HA -0.233 nan 4.350 nan 0.000 0.201 232 E C 1.026 177.346 176.600 -0.467 0.000 1.071 232 E CA 2.452 58.649 56.400 -0.339 0.000 0.880 232 E CB -1.292 28.125 29.700 -0.471 0.000 0.828 232 E HN 0.329 8.548 8.360 -0.189 0.027 0.540 233 F N -2.405 117.496 119.950 -0.081 0.000 2.653 233 F HA 0.254 nan 4.527 nan 0.000 0.304 233 F C 0.288 176.077 175.800 -0.018 0.000 1.092 233 F CA -0.101 57.870 58.000 -0.048 0.000 1.279 233 F CB 0.034 38.995 39.000 -0.066 0.000 1.044 233 F HN -0.514 7.700 8.300 0.027 0.103 0.564 234 Q N 0.429 120.290 119.800 0.101 0.000 2.124 234 Q HA -0.386 nan 4.340 nan 0.000 0.202 234 Q C 2.083 178.155 176.000 0.120 0.000 0.977 234 Q CA 4.029 59.885 55.803 0.089 0.000 0.850 234 Q CB -0.334 28.442 28.738 0.063 0.000 0.901 234 Q HN -0.399 7.839 8.270 0.040 0.056 0.429 235 N N -0.746 118.031 118.700 0.128 0.000 2.142 235 N HA -0.220 nan 4.740 nan 0.000 0.186 235 N C 1.905 177.519 175.510 0.174 0.000 1.023 235 N CA 2.852 56.028 53.050 0.210 0.000 0.852 235 N CB -0.739 37.845 38.487 0.161 0.000 0.998 235 N HN 0.305 8.731 8.380 0.076 0.000 0.424 236 N N 0.470 119.272 118.700 0.171 0.000 2.289 236 N HA -0.282 nan 4.740 nan 0.000 0.184 236 N C 1.478 177.088 175.510 0.166 0.000 1.016 236 N CA 2.929 56.105 53.050 0.211 0.000 0.872 236 N CB -0.351 38.370 38.487 0.391 0.000 0.973 236 N HN 0.005 8.482 8.380 0.163 0.000 0.433 237 R N 0.550 121.113 120.500 0.106 0.000 2.117 237 R HA -0.441 nan 4.340 nan 0.000 0.243 237 R C 1.804 178.128 176.300 0.040 0.000 1.143 237 R CA 3.388 59.508 56.100 0.034 0.000 0.968 237 R CB -0.184 30.087 30.300 -0.048 0.000 0.863 237 R HN -0.402 7.793 8.270 0.114 0.144 0.444 238 R N -1.733 118.724 120.500 -0.072 0.000 2.105 238 R HA -0.285 nan 4.340 nan 0.000 0.239 238 R C 2.654 178.949 176.300 -0.009 0.000 1.135 238 R CA 2.651 58.640 56.100 -0.185 0.000 0.967 238 R CB -0.882 29.042 30.300 -0.626 0.000 0.861 238 R HN -0.557 7.649 8.270 -0.083 0.014 0.442 239 L N -1.017 120.233 121.223 0.044 0.000 2.240 239 L HA -0.176 nan 4.340 nan 0.000 0.211 239 L C 0.953 177.937 176.870 0.190 0.000 1.106 239 L CA 1.990 56.898 54.840 0.112 0.000 0.793 239 L CB -0.496 41.604 42.059 0.068 0.000 0.927 239 L HN -0.319 7.817 8.230 0.035 0.115 0.446 240 Y N 1.099 121.416 120.300 0.027 0.000 2.070 240 Y HA -0.612 nan 4.550 nan 0.000 0.280 240 Y C 1.330 177.203 175.900 -0.045 0.000 1.148 240 Y CA 4.542 62.626 58.100 -0.028 0.000 1.125 240 Y CB -0.113 38.327 38.460 -0.033 0.000 0.975 240 Y HN -0.216 8.092 8.280 0.258 0.127 0.492 241 D N -2.071 118.503 120.400 0.289 0.000 2.117 241 D HA -0.376 nan 4.640 nan 0.000 0.197 241 D C 2.033 178.404 176.300 0.118 0.000 0.987 241 D CA 3.388 57.524 54.000 0.227 0.000 0.829 241 D CB -0.587 40.384 40.800 0.284 0.000 0.961 241 D HN -0.216 8.346 8.370 0.321 0.000 0.460 242 W N 0.782 122.068 121.300 -0.023 0.000 2.338 242 W HA -0.410 nan 4.660 nan 0.000 0.304 242 W C 1.880 178.352 176.519 -0.077 0.000 1.212 242 W CA 4.330 61.651 57.345 -0.041 0.000 1.264 242 W CB 0.233 29.670 29.460 -0.038 0.000 1.142 242 W HN -0.413 7.945 8.180 0.297 0.000 0.512 243 V N -1.092 118.919 119.914 0.161 0.000 2.261 243 V HA -0.571 nan 4.120 nan 0.000 0.246 243 V C 2.327 178.206 176.094 -0.358 0.000 1.047 243 V CA 4.600 66.863 62.300 -0.061 0.000 1.015 243 V CB -0.808 31.026 31.823 0.019 0.000 0.642 243 V HN -0.311 8.049 8.190 0.283 0.000 0.446 244 L N -2.198 118.770 121.223 -0.426 0.000 2.131 244 L HA -0.391 nan 4.340 nan 0.000 0.210 244 L C 2.682 179.319 176.870 -0.388 0.000 1.092 244 L CA 2.838 57.360 54.840 -0.531 0.000 0.759 244 L CB -0.795 40.757 42.059 -0.844 0.000 0.903 244 L HN -0.538 7.455 8.230 -0.395 0.000 0.435 245 D N -2.414 117.801 120.400 -0.308 0.000 2.312 245 D HA -0.136 nan 4.640 nan 0.000 0.211 245 D C 0.812 176.917 176.300 -0.324 0.000 0.964 245 D CA 2.182 56.047 54.000 -0.225 0.000 0.877 245 D CB -0.346 40.353 40.800 -0.169 0.000 0.924 245 D HN 0.105 8.189 8.370 -0.296 0.108 0.515 246 N N -2.961 115.451 118.700 -0.479 0.000 2.187 246 N HA 0.174 nan 4.740 nan 0.000 0.212 246 N C -1.302 174.023 175.510 -0.308 0.000 1.152 246 N CA 0.029 52.793 53.050 -0.477 0.000 0.872 246 N CB 2.123 40.096 38.487 -0.857 0.000 1.025 246 N HN -0.285 7.609 8.380 -0.529 0.169 0.514 247 I N -5.636 114.774 120.570 -0.268 0.000 2.892 247 I HA 0.436 nan 4.170 nan 0.000 0.306 247 I C -1.277 174.773 176.117 -0.111 0.000 1.078 247 I CA -2.463 58.743 61.300 -0.157 0.000 1.032 247 I CB 2.955 40.773 38.000 -0.305 0.000 1.229 247 I HN -0.851 7.171 8.210 -0.314 0.000 0.435 248 T N 5.403 119.987 114.554 0.050 0.000 2.855 248 T HA 0.117 nan 4.350 nan 0.000 0.290 248 T C -1.186 173.557 174.700 0.070 0.000 0.941 248 T CA 1.939 64.070 62.100 0.051 0.000 1.030 248 T CB -1.110 67.805 68.868 0.078 0.000 0.935 248 T HN 0.227 9.052 8.240 0.164 -0.486 0.564 249 I N 7.111 127.644 120.570 -0.061 0.000 2.619 249 I HA 0.463 nan 4.170 nan 0.000 0.292 249 I C -2.009 174.062 176.117 -0.076 0.000 1.100 249 I CA -3.242 58.000 61.300 -0.096 0.000 1.043 249 I CB 2.940 40.772 38.000 -0.280 0.000 1.239 249 I HN -0.400 7.755 8.210 -0.092 0.000 0.420 250 P HA 0.117 nan 4.420 nan 0.000 0.240 250 P C -1.431 175.850 177.300 -0.032 0.000 1.190 250 P CA 0.612 63.691 63.100 -0.035 0.000 0.781 250 P CB 0.265 31.954 31.700 -0.019 0.000 0.931 251 V N -5.734 114.151 119.914 -0.050 0.000 3.074 251 V HA 0.479 nan 4.120 nan 0.000 0.314 251 V C -2.080 174.013 176.094 -0.002 0.000 1.117 251 V CA -1.861 60.430 62.300 -0.016 0.000 1.014 251 V CB 3.774 35.588 31.823 -0.014 0.000 1.057 251 V HN -0.309 7.796 8.190 -0.084 0.035 0.438 252 H N 0.658 119.690 119.070 -0.064 0.000 2.808 252 H HA 0.413 nan 4.556 nan 0.000 0.268 252 H C -2.785 172.541 175.328 -0.004 0.000 1.306 252 H CA -2.876 53.137 56.048 -0.058 0.000 1.565 252 H CB 1.749 31.476 29.762 -0.059 0.000 1.632 252 H HN 0.287 8.634 8.280 0.113 0.000 0.525 253 P HA -0.123 nan 4.420 nan 0.000 0.269 253 P C -1.222 176.240 177.300 0.270 0.000 1.217 253 P CA -0.011 63.192 63.100 0.172 0.000 0.783 253 P CB 0.690 32.467 31.700 0.129 0.000 0.898 254 R N -0.237 120.289 120.500 0.044 0.000 2.562 254 R HA 0.362 nan 4.340 nan 0.000 0.298 254 R C -1.248 174.828 176.300 -0.373 0.000 0.961 254 R CA -2.739 53.268 56.100 -0.155 0.000 0.881 254 R CB 2.277 32.464 30.300 -0.188 0.000 1.159 254 R HN -0.150 8.110 8.270 -0.017 0.000 0.450 255 Q N 2.689 122.106 119.800 -0.637 0.000 2.230 255 Q HA 0.516 nan 4.340 nan 0.000 0.253 255 Q C -1.184 174.426 176.000 -0.651 0.000 0.919 255 Q CA -0.329 55.126 55.803 -0.581 0.000 0.908 255 Q CB 1.994 30.288 28.738 -0.739 0.000 1.245 255 Q HN 0.390 8.292 8.270 -0.613 0.000 0.437 256 Y N 4.508 124.808 120.300 -0.001 0.000 2.421 256 Y HA 0.266 nan 4.550 nan 0.000 0.339 256 Y C -1.836 174.163 175.900 0.166 0.000 0.996 256 Y CA -1.311 56.851 58.100 0.103 0.000 1.046 256 Y CB 3.424 41.939 38.460 0.092 0.000 1.226 256 Y HN 0.928 9.244 8.280 0.060 0.000 0.445 257 E N 2.406 122.819 120.200 0.355 0.000 2.179 257 E HA 0.765 nan 4.350 nan 0.000 0.275 257 E C -1.020 175.837 176.600 0.428 0.000 0.945 257 E CA -1.101 55.451 56.400 0.252 0.000 0.792 257 E CB 2.357 32.124 29.700 0.112 0.000 1.125 257 E HN 0.181 8.765 8.360 0.373 0.000 0.397 258 F N 0.085 120.207 119.950 0.287 0.000 2.618 258 F HA 0.967 nan 4.527 nan 0.000 0.332 258 F C -1.657 174.245 175.800 0.170 0.000 1.061 258 F CA -3.258 54.928 58.000 0.310 0.000 0.974 258 F CB 2.956 42.114 39.000 0.262 0.000 1.310 258 F HN 0.491 8.542 8.300 -0.416 0.000 0.491 259 S N -0.545 115.273 115.700 0.198 0.000 2.565 259 S HA 0.198 nan 4.470 nan 0.000 0.274 259 S C -0.490 174.166 174.600 0.094 0.000 1.309 259 S CA -0.444 57.789 58.200 0.055 0.000 1.043 259 S CB 1.370 64.613 63.200 0.072 0.000 0.939 259 S HN 0.347 8.874 8.310 0.363 0.000 0.504 260 R N 0.566 121.060 120.500 -0.011 0.000 2.679 260 R HA -0.039 nan 4.340 nan 0.000 0.269 260 R C -1.350 174.997 176.300 0.077 0.000 1.076 260 R CA -0.335 55.790 56.100 0.042 0.000 1.160 260 R CB 0.829 31.117 30.300 -0.019 0.000 1.054 260 R HN 0.043 8.277 8.270 -0.059 0.000 0.507 261 L N 0.155 121.437 121.223 0.098 0.000 2.290 261 L HA 0.108 nan 4.340 nan 0.000 0.284 261 L C -1.162 175.725 176.870 0.029 0.000 1.078 261 L CA -0.519 54.369 54.840 0.080 0.000 0.815 261 L CB 0.601 42.731 42.059 0.119 0.000 1.162 261 L HN 0.066 8.372 8.230 0.126 0.000 0.435 262 N N 7.444 126.156 118.700 0.020 0.000 2.372 262 N HA 0.244 nan 4.740 nan 0.000 0.285 262 N C -2.198 173.321 175.510 0.016 0.000 1.008 262 N CA -0.973 52.066 53.050 -0.017 0.000 0.880 262 N CB 2.459 40.924 38.487 -0.038 0.000 1.239 262 N HN -0.066 8.334 8.380 0.034 0.000 0.484 263 L N 1.656 122.882 121.223 0.004 0.000 2.317 263 L HA 0.355 nan 4.340 nan 0.000 0.281 263 L C -1.236 175.638 176.870 0.007 0.000 1.024 263 L CA -1.527 53.338 54.840 0.041 0.000 0.810 263 L CB 2.734 44.820 42.059 0.045 0.000 1.240 263 L HN 0.516 8.726 8.230 -0.034 0.000 0.427 264 E N 5.183 125.392 120.200 0.014 0.000 2.376 264 E HA -0.343 nan 4.350 nan 0.000 0.266 264 E C -0.452 176.171 176.600 0.037 0.000 1.009 264 E CA 1.075 57.428 56.400 -0.078 0.000 0.902 264 E CB 0.413 30.065 29.700 -0.080 0.000 0.972 264 E HN -0.103 8.288 8.360 0.050 0.000 0.439 265 Y N 0.034 120.361 120.300 0.045 0.000 4.879 265 Y HA -0.427 nan 4.550 nan 0.000 0.247 265 Y C -1.876 174.135 175.900 0.185 0.000 0.985 265 Y CA 1.535 59.701 58.100 0.110 0.000 2.000 265 Y CB -2.211 36.319 38.460 0.118 0.000 1.519 265 Y HN 0.745 8.713 8.280 -0.315 0.123 0.613 266 T N -3.301 111.354 114.554 0.167 0.000 2.883 266 T HA 0.250 nan 4.350 nan 0.000 0.301 266 T C -1.951 172.719 174.700 -0.051 0.000 1.158 266 T CA -1.678 60.522 62.100 0.166 0.000 1.007 266 T CB 2.611 71.566 68.868 0.144 0.000 1.186 266 T HN -0.819 7.402 8.240 0.050 0.049 0.499 267 V N -1.454 118.424 119.914 -0.060 0.000 2.483 267 V HA 0.526 nan 4.120 nan 0.000 0.295 267 V C -0.769 175.254 176.094 -0.119 0.000 1.035 267 V CA -1.720 60.473 62.300 -0.178 0.000 0.896 267 V CB 1.393 33.026 31.823 -0.316 0.000 0.986 267 V HN 0.284 8.552 8.190 0.130 0.000 0.447 268 M N 3.200 122.687 119.600 -0.188 0.000 2.514 268 M HA 0.109 nan 4.480 nan 0.000 0.258 268 M C 0.455 176.700 176.300 -0.093 0.000 1.159 268 M CA -0.104 55.026 55.300 -0.284 0.000 1.116 268 M CB 0.751 33.067 32.600 -0.474 0.000 1.333 268 M HN 0.194 8.365 8.290 -0.198 0.000 0.487 269 S N 1.602 117.248 115.700 -0.090 0.000 2.737 269 S HA -0.201 nan 4.470 nan 0.000 0.315 269 S C 1.484 176.125 174.600 0.068 0.000 1.236 269 S CA 0.289 58.469 58.200 -0.033 0.000 1.093 269 S CB 0.406 63.522 63.200 -0.140 0.000 0.832 269 S HN -0.403 7.813 8.310 -0.156 0.000 0.507 270 K N 8.140 128.639 120.400 0.166 0.000 2.147 270 K HA -0.347 nan 4.320 nan 0.000 0.205 270 K C 2.059 178.775 176.600 0.195 0.000 1.049 270 K CA 3.544 59.986 56.287 0.257 0.000 0.936 270 K CB -0.352 32.286 32.500 0.230 0.000 0.722 270 K HN 0.706 9.052 8.250 0.160 0.000 0.446 271 R N -1.525 119.034 120.500 0.098 0.000 2.091 271 R HA -0.305 nan 4.340 nan 0.000 0.238 271 R C 2.039 178.370 176.300 0.051 0.000 1.136 271 R CA 3.140 59.281 56.100 0.069 0.000 0.959 271 R CB -0.252 30.059 30.300 0.018 0.000 0.856 271 R HN -0.082 8.214 8.270 0.071 0.017 0.437 272 K N -1.217 119.164 120.400 -0.032 0.000 2.044 272 K HA -0.206 nan 4.320 nan 0.000 0.204 272 K C 2.373 179.033 176.600 0.100 0.000 1.049 272 K CA 2.914 59.143 56.287 -0.096 0.000 0.945 272 K CB 0.071 32.238 32.500 -0.555 0.000 0.724 272 K HN -0.679 7.430 8.250 -0.057 0.107 0.440 273 L N -1.351 119.915 121.223 0.072 0.000 2.127 273 L HA -0.440 nan 4.340 nan 0.000 0.211 273 L C 1.866 178.590 176.870 -0.245 0.000 1.089 273 L CA 3.007 57.862 54.840 0.025 0.000 0.757 273 L CB -0.650 41.511 42.059 0.169 0.000 0.899 273 L HN 0.377 8.649 8.230 0.070 0.000 0.434 274 N N -1.219 117.411 118.700 -0.116 0.000 2.331 274 N HA -0.248 nan 4.740 nan 0.000 0.180 274 N C 1.826 177.277 175.510 -0.097 0.000 1.019 274 N CA 2.686 55.622 53.050 -0.189 0.000 0.881 274 N CB 0.341 38.920 38.487 0.152 0.000 0.972 274 N HN 0.073 8.373 8.380 0.065 0.119 0.435 275 L N 0.857 122.110 121.223 0.050 0.000 2.056 275 L HA -0.235 nan 4.340 nan 0.000 0.207 275 L C 1.051 177.957 176.870 0.060 0.000 1.078 275 L CA 2.848 57.756 54.840 0.114 0.000 0.749 275 L CB -0.252 41.984 42.059 0.295 0.000 0.901 275 L HN -0.359 7.783 8.230 0.104 0.150 0.433 276 L N -2.000 119.272 121.223 0.081 0.000 2.046 276 L HA -0.463 nan 4.340 nan 0.000 0.208 276 L C 2.039 178.830 176.870 -0.132 0.000 1.077 276 L CA 3.663 58.529 54.840 0.043 0.000 0.747 276 L CB -0.795 41.303 42.059 0.067 0.000 0.896 276 L HN -0.462 7.852 8.230 0.140 0.000 0.432 277 V N -1.273 118.464 119.914 -0.295 0.000 2.323 277 V HA -0.396 nan 4.120 nan 0.000 0.244 277 V C 2.913 178.859 176.094 -0.247 0.000 1.041 277 V CA 4.631 66.694 62.300 -0.396 0.000 1.025 277 V CB -0.925 30.380 31.823 -0.864 0.000 0.656 277 V HN -0.387 7.508 8.190 -0.346 0.087 0.451 278 T N 1.914 116.359 114.554 -0.182 0.000 2.746 278 T HA -0.262 nan 4.350 nan 0.000 0.267 278 T C 1.247 175.869 174.700 -0.129 0.000 1.039 278 T CA 4.232 66.274 62.100 -0.097 0.000 1.142 278 T CB -0.262 68.588 68.868 -0.030 0.000 0.866 278 T HN 0.465 8.473 8.240 -0.196 0.114 0.444 279 D N -1.400 118.888 120.400 -0.187 0.000 2.319 279 D HA 0.084 nan 4.640 nan 0.000 0.230 279 D C -0.511 175.459 176.300 -0.550 0.000 1.094 279 D CA -0.338 53.461 54.000 -0.336 0.000 0.856 279 D CB 0.001 40.589 40.800 -0.353 0.000 0.915 279 D HN -0.142 8.137 8.370 -0.151 0.000 0.517 280 K N -4.882 115.315 120.400 -0.339 0.000 3.077 280 K HA -0.433 nan 4.320 nan 0.000 0.264 280 K C 0.242 176.673 176.600 -0.282 0.000 1.008 280 K CA 1.356 57.485 56.287 -0.264 0.000 0.740 280 K CB -3.316 29.070 32.500 -0.190 0.000 1.273 280 K HN -0.391 7.504 8.250 -0.248 0.206 0.477 281 H N -4.866 114.151 119.070 -0.090 0.000 2.563 281 H HA 0.046 nan 4.556 nan 0.000 0.264 281 H C -0.603 174.668 175.328 -0.096 0.000 0.957 281 H CA 1.168 57.158 56.048 -0.095 0.000 1.173 281 H CB 0.989 30.681 29.762 -0.117 0.000 1.420 281 H HN 0.154 8.285 8.280 -0.248 0.000 0.551 282 V N -7.203 112.697 119.914 -0.023 0.000 3.102 282 V HA 0.431 nan 4.120 nan 0.000 0.312 282 V C -1.163 174.894 176.094 -0.061 0.000 1.135 282 V CA -3.622 58.651 62.300 -0.044 0.000 1.022 282 V CB 2.486 34.263 31.823 -0.078 0.000 1.056 282 V HN -0.922 7.184 8.190 -0.071 0.041 0.436 283 E N 0.057 120.237 120.200 -0.034 0.000 2.150 283 E HA -0.150 nan 4.350 nan 0.000 0.193 283 E C 0.099 176.662 176.600 -0.062 0.000 0.985 283 E CA 1.912 58.298 56.400 -0.023 0.000 0.814 283 E CB 0.745 30.458 29.700 0.022 0.000 0.752 283 E HN 0.108 8.800 8.360 -0.017 -0.343 0.466 284 G N -4.495 104.241 108.800 -0.106 0.000 2.315 284 G HA2 0.019 nan 3.960 nan 0.000 0.294 284 G HA3 0.019 nan 3.960 nan 0.000 0.294 284 G C -0.865 173.929 174.900 -0.177 0.000 1.300 284 G CA -0.841 44.170 45.100 -0.149 0.000 0.843 284 G HN -0.729 7.477 8.290 -0.106 0.021 0.527 285 W N -0.898 120.238 121.300 -0.273 0.000 2.331 285 W HA -0.344 nan 4.660 nan 0.000 0.291 285 W C 0.272 176.615 176.519 -0.293 0.000 1.214 285 W CA 2.944 60.057 57.345 -0.387 0.000 1.228 285 W CB 0.227 29.095 29.460 -0.986 0.000 1.135 285 W HN 0.482 8.620 8.180 -0.070 0.000 0.537 286 D N -5.608 114.771 120.400 -0.036 0.000 2.427 286 D HA -0.012 nan 4.640 nan 0.000 0.224 286 D C -0.898 175.355 176.300 -0.079 0.000 1.157 286 D CA -1.228 52.747 54.000 -0.043 0.000 0.828 286 D CB -1.630 39.151 40.800 -0.032 0.000 0.974 286 D HN -0.323 7.989 8.370 -0.049 0.028 0.498 287 D N 1.564 121.913 120.400 -0.084 0.000 2.443 287 D HA 0.039 nan 4.640 nan 0.000 0.239 287 D C 0.032 176.226 176.300 -0.177 0.000 1.136 287 D CA -0.905 53.031 54.000 -0.107 0.000 0.879 287 D CB 1.914 42.663 40.800 -0.084 0.000 1.195 287 D HN -0.341 7.808 8.370 -0.074 0.176 0.443 288 P HA -0.138 nan 4.420 nan 0.000 0.226 288 P C 0.453 177.475 177.300 -0.462 0.000 1.146 288 P CA 1.748 64.554 63.100 -0.489 0.000 0.773 288 P CB 0.194 31.326 31.700 -0.947 0.000 0.772 289 R N -4.215 116.090 120.500 -0.326 0.000 2.300 289 R HA 0.070 nan 4.340 nan 0.000 0.199 289 R C -0.159 176.082 176.300 -0.099 0.000 0.920 289 R CA -0.073 55.922 56.100 -0.175 0.000 1.046 289 R CB 0.238 30.486 30.300 -0.087 0.000 0.984 289 R HN -0.187 8.200 8.270 -0.275 -0.282 0.493 290 M N -0.394 119.151 119.600 -0.092 0.000 2.233 290 M HA 0.094 nan 4.480 nan 0.000 0.350 290 M C -1.338 174.951 176.300 -0.018 0.000 1.176 290 M CA -2.554 52.733 55.300 -0.022 0.000 1.150 290 M CB -0.177 32.422 32.600 -0.002 0.000 1.530 290 M HN -0.513 7.531 8.290 -0.129 0.169 0.459 291 P HA 0.158 nan 4.420 nan 0.000 0.255 291 P C -0.941 176.403 177.300 0.073 0.000 1.357 291 P CA 0.126 63.227 63.100 0.003 0.000 0.839 291 P CB 0.275 31.977 31.700 0.004 0.000 1.356 292 T N -3.722 110.903 114.554 0.119 0.000 2.882 292 T HA 0.196 nan 4.350 nan 0.000 0.287 292 T C 1.527 176.286 174.700 0.098 0.000 1.014 292 T CA -1.490 60.731 62.100 0.201 0.000 1.049 292 T CB 2.154 71.175 68.868 0.255 0.000 1.001 292 T HN -0.503 7.671 8.240 0.087 0.118 0.525 293 I N 2.184 122.835 120.570 0.134 0.000 2.179 293 I HA -0.375 nan 4.170 nan 0.000 0.242 293 I C 1.458 177.499 176.117 -0.127 0.000 1.088 293 I CA 2.861 64.193 61.300 0.052 0.000 1.357 293 I CB -1.240 36.838 38.000 0.130 0.000 1.051 293 I HN -0.085 8.251 8.210 0.210 0.000 0.409 294 S N -0.560 115.108 115.700 -0.054 0.000 2.402 294 S HA -0.249 nan 4.470 nan 0.000 0.229 294 S C 2.375 176.893 174.600 -0.137 0.000 1.021 294 S CA 2.949 61.071 58.200 -0.130 0.000 0.974 294 S CB -0.564 62.671 63.200 0.059 0.000 0.800 294 S HN 0.230 8.588 8.310 0.080 0.000 0.484 295 G N 2.356 111.114 108.800 -0.070 0.000 2.404 295 G HA2 -0.226 nan 3.960 nan 0.000 0.215 295 G HA3 -0.226 nan 3.960 nan 0.000 0.215 295 G C 1.035 175.850 174.900 -0.141 0.000 1.174 295 G CA 1.770 46.811 45.100 -0.098 0.000 0.780 295 G HN -0.377 7.806 8.290 -0.006 0.104 0.537 296 L N 1.090 122.220 121.223 -0.155 0.000 2.131 296 L HA -0.394 nan 4.340 nan 0.000 0.210 296 L C 1.647 178.494 176.870 -0.039 0.000 1.092 296 L CA 2.578 57.306 54.840 -0.185 0.000 0.759 296 L CB -0.383 41.487 42.059 -0.315 0.000 0.903 296 L HN 0.234 8.279 8.230 -0.129 0.107 0.435 297 R N -0.849 119.524 120.500 -0.212 0.000 2.062 297 R HA -0.343 nan 4.340 nan 0.000 0.231 297 R C 2.563 178.791 176.300 -0.119 0.000 1.136 297 R CA 3.606 59.526 56.100 -0.301 0.000 0.948 297 R CB -0.335 29.450 30.300 -0.859 0.000 0.845 297 R HN 0.007 7.998 8.270 -0.291 0.104 0.430 298 R N -1.066 119.348 120.500 -0.143 0.000 2.193 298 R HA -0.319 nan 4.340 nan 0.000 0.229 298 R C 1.055 177.322 176.300 -0.055 0.000 1.110 298 R CA 2.612 58.655 56.100 -0.095 0.000 0.988 298 R CB -0.238 29.993 30.300 -0.115 0.000 0.871 298 R HN -0.122 8.036 8.270 -0.187 0.000 0.458 299 R N -4.061 116.413 120.500 -0.043 0.000 2.189 299 R HA -0.159 nan 4.340 nan 0.000 0.218 299 R C 0.337 176.686 176.300 0.080 0.000 1.074 299 R CA 0.967 57.063 56.100 -0.008 0.000 0.991 299 R CB 0.113 30.436 30.300 0.037 0.000 0.883 299 R HN -0.407 7.688 8.270 -0.053 0.143 0.457 300 G N -3.722 105.142 108.800 0.106 0.000 2.159 300 G HA2 -0.247 nan 3.960 nan 0.000 0.170 300 G HA3 -0.247 nan 3.960 nan 0.000 0.170 300 G C -0.238 174.699 174.900 0.062 0.000 1.007 300 G CA -0.503 44.642 45.100 0.075 0.000 0.672 300 G HN -0.329 7.850 8.290 0.101 0.171 0.507 301 Y N 1.949 122.280 120.300 0.053 0.000 2.326 301 Y HA -0.112 nan 4.550 nan 0.000 0.333 301 Y C -0.127 175.911 175.900 0.230 0.000 1.240 301 Y CA 1.481 59.640 58.100 0.099 0.000 1.365 301 Y CB 0.855 39.381 38.460 0.110 0.000 1.289 301 Y HN -0.159 8.354 8.280 0.388 0.000 0.548 302 T N -2.100 112.591 114.554 0.228 0.000 2.859 302 T HA 0.368 nan 4.350 nan 0.000 0.281 302 T C 0.161 174.860 174.700 -0.001 0.000 1.005 302 T CA -2.594 59.589 62.100 0.138 0.000 1.025 302 T CB 2.559 71.412 68.868 -0.026 0.000 0.977 302 T HN -0.207 8.087 8.240 0.089 0.000 0.458 303 A N 4.087 126.603 122.820 -0.508 0.000 1.948 303 A HA -0.329 nan 4.320 nan 0.000 0.220 303 A C 1.469 178.860 177.584 -0.322 0.000 1.177 303 A CA 3.241 54.800 52.037 -0.795 0.000 0.636 303 A CB -0.651 17.584 19.000 -1.275 0.000 0.815 303 A HN 0.734 8.520 8.150 -0.606 0.000 0.449 304 A N -2.692 119.980 122.820 -0.246 0.000 1.930 304 A HA -0.173 nan 4.320 nan 0.000 0.217 304 A C 2.034 179.592 177.584 -0.045 0.000 1.175 304 A CA 2.866 54.815 52.037 -0.147 0.000 0.627 304 A CB -0.925 17.990 19.000 -0.142 0.000 0.815 304 A HN 0.421 8.392 8.150 -0.272 0.016 0.443 305 S N -0.535 115.160 115.700 -0.009 0.000 2.399 305 S HA -0.334 nan 4.470 nan 0.000 0.231 305 S C 2.299 176.997 174.600 0.163 0.000 1.022 305 S CA 3.004 61.239 58.200 0.059 0.000 0.983 305 S CB -0.180 63.041 63.200 0.035 0.000 0.803 305 S HN -0.659 7.538 8.310 -0.034 0.093 0.480 306 I N 2.723 123.402 120.570 0.182 0.000 2.286 306 I HA -0.404 nan 4.170 nan 0.000 0.245 306 I C 1.555 177.806 176.117 0.222 0.000 1.104 306 I CA 3.579 65.030 61.300 0.252 0.000 1.397 306 I CB -0.294 37.859 38.000 0.254 0.000 1.072 306 I HN -0.552 7.634 8.210 0.132 0.103 0.417 307 R N -1.065 119.504 120.500 0.115 0.000 2.105 307 R HA -0.434 nan 4.340 nan 0.000 0.239 307 R C 2.390 178.746 176.300 0.094 0.000 1.135 307 R CA 3.979 60.139 56.100 0.100 0.000 0.967 307 R CB -0.400 29.910 30.300 0.016 0.000 0.861 307 R HN -0.215 8.084 8.270 0.049 0.000 0.442 308 E N -0.374 119.883 120.200 0.096 0.000 2.106 308 E HA -0.246 nan 4.350 nan 0.000 0.192 308 E C 1.865 178.548 176.600 0.140 0.000 0.984 308 E CA 2.562 59.016 56.400 0.090 0.000 0.806 308 E CB -0.600 29.146 29.700 0.078 0.000 0.750 308 E HN -0.224 8.176 8.360 0.088 0.012 0.458 309 F N 0.645 120.627 119.950 0.053 0.000 2.102 309 F HA -0.317 nan 4.527 nan 0.000 0.298 309 F C 1.527 177.358 175.800 0.052 0.000 1.105 309 F CA 3.273 61.311 58.000 0.063 0.000 1.239 309 F CB -0.110 38.943 39.000 0.089 0.000 0.991 309 F HN -0.523 7.875 8.300 0.331 0.101 0.474 310 C N -1.348 117.908 119.300 -0.073 0.000 2.429 310 C HA -0.433 nan 4.460 nan 0.000 0.277 310 C C 1.905 176.806 174.990 -0.148 0.000 1.262 310 C CA 3.744 62.659 59.018 -0.171 0.000 1.733 310 C CB -2.007 25.717 27.740 -0.027 0.000 2.010 310 C HN 0.060 8.373 8.230 0.138 0.000 0.483 311 K N -0.471 119.892 120.400 -0.062 0.000 2.044 311 K HA -0.367 nan 4.320 nan 0.000 0.210 311 K C 2.418 178.975 176.600 -0.071 0.000 1.049 311 K CA 3.032 59.291 56.287 -0.047 0.000 0.927 311 K CB -0.187 32.307 32.500 -0.010 0.000 0.713 311 K HN -0.300 7.873 8.250 -0.011 0.071 0.443 312 R N -2.163 118.287 120.500 -0.084 0.000 2.073 312 R HA -0.203 nan 4.340 nan 0.000 0.229 312 R C 2.406 178.631 176.300 -0.126 0.000 1.120 312 R CA 2.543 58.597 56.100 -0.078 0.000 0.967 312 R CB 0.183 30.469 30.300 -0.023 0.000 0.862 312 R HN -0.382 7.840 8.270 -0.073 0.004 0.436 313 I N -6.185 114.229 120.570 -0.260 0.000 2.756 313 I HA -0.201 nan 4.170 nan 0.000 0.262 313 I C 0.624 176.670 176.117 -0.118 0.000 1.225 313 I CA 0.614 61.776 61.300 -0.231 0.000 1.472 313 I CB -0.290 37.467 38.000 -0.406 0.000 1.094 313 I HN -0.479 7.494 8.210 -0.395 0.000 0.454 314 G N -0.146 108.592 108.800 -0.102 0.000 2.760 314 G HA2 -0.254 nan 3.960 nan 0.000 0.246 314 G HA3 -0.254 nan 3.960 nan 0.000 0.246 314 G C -2.403 172.481 174.900 -0.027 0.000 1.359 314 G CA -0.232 44.840 45.100 -0.046 0.000 0.861 314 G HN -0.737 7.438 8.290 -0.129 0.037 0.541 315 V N 0.953 120.883 119.914 0.027 0.000 2.498 315 V HA 0.382 nan 4.120 nan 0.000 0.283 315 V C -1.206 175.059 176.094 0.286 0.000 1.015 315 V CA -0.718 61.634 62.300 0.087 0.000 0.867 315 V CB 1.057 32.827 31.823 -0.088 0.000 1.025 315 V HN 0.263 8.478 8.190 0.042 0.000 0.441 316 T N 3.346 118.088 114.554 0.314 0.000 2.669 316 T HA 0.510 nan 4.350 nan 0.000 0.283 316 T C -1.234 173.557 174.700 0.153 0.000 1.019 316 T CA -0.906 61.333 62.100 0.232 0.000 1.039 316 T CB 2.807 71.723 68.868 0.080 0.000 1.374 316 T HN 0.010 8.413 8.240 0.270 0.000 0.523 317 K N -2.291 118.040 120.400 -0.115 0.000 2.399 317 K HA 0.142 nan 4.320 nan 0.000 0.204 317 K C -0.714 175.856 176.600 -0.050 0.000 1.023 317 K CA -0.890 55.334 56.287 -0.106 0.000 1.127 317 K CB 0.434 32.776 32.500 -0.263 0.000 0.856 317 K HN 0.269 8.402 8.250 -0.194 0.000 0.514 318 Q N 0.737 120.525 119.800 -0.020 0.000 2.267 318 Q HA -0.013 nan 4.340 nan 0.000 0.255 318 Q C -0.908 175.091 176.000 -0.001 0.000 0.923 318 Q CA -0.079 55.714 55.803 -0.016 0.000 0.925 318 Q CB 1.399 30.130 28.738 -0.011 0.000 1.195 318 Q HN -0.711 7.478 8.270 -0.002 0.080 0.417 319 D N 4.370 124.762 120.400 -0.014 0.000 2.423 319 D HA 0.021 nan 4.640 nan 0.000 0.238 319 D C -0.607 175.689 176.300 -0.006 0.000 1.142 319 D CA 1.053 55.044 54.000 -0.014 0.000 0.884 319 D CB 0.655 41.438 40.800 -0.028 0.000 1.199 319 D HN 0.421 8.777 8.370 -0.023 0.000 0.438 320 N N -0.261 118.438 118.700 -0.001 0.000 2.823 320 N HA 0.060 nan 4.740 nan 0.000 0.251 320 N C -1.768 173.743 175.510 0.003 0.000 1.392 320 N CA -0.087 52.965 53.050 0.004 0.000 0.864 320 N CB 2.457 40.955 38.487 0.018 0.000 1.481 320 N HN 0.024 8.402 8.380 -0.003 0.000 0.508 321 T N 0.212 114.770 114.554 0.007 0.000 3.066 321 T HA 0.224 nan 4.350 nan 0.000 0.318 321 T C -0.879 173.841 174.700 0.033 0.000 0.979 321 T CA 0.000 62.105 62.100 0.007 0.000 1.025 321 T CB 0.777 69.631 68.868 -0.024 0.000 1.002 321 T HN -0.099 8.145 8.240 0.008 0.000 0.453 322 I N 6.136 126.751 120.570 0.074 0.000 2.575 322 I HA 0.035 nan 4.170 nan 0.000 0.285 322 I C -0.525 175.664 176.117 0.119 0.000 1.085 322 I CA -0.895 60.479 61.300 0.124 0.000 1.403 322 I CB 1.572 39.711 38.000 0.232 0.000 1.409 322 I HN 0.238 8.497 8.210 0.082 0.000 0.557 323 E N 5.194 125.468 120.200 0.122 0.000 2.343 323 E HA 0.068 nan 4.350 nan 0.000 0.269 323 E C 1.167 177.853 176.600 0.144 0.000 1.047 323 E CA -0.420 56.052 56.400 0.120 0.000 0.874 323 E CB 0.701 30.467 29.700 0.110 0.000 1.033 323 E HN 0.135 8.569 8.360 0.123 0.000 0.409 324 M N 3.626 123.319 119.600 0.156 0.000 2.260 324 M HA -0.344 nan 4.480 nan 0.000 0.261 324 M C 1.432 177.788 176.300 0.093 0.000 1.066 324 M CA 2.634 58.004 55.300 0.117 0.000 1.082 324 M CB -1.008 31.681 32.600 0.148 0.000 1.388 324 M HN 0.213 8.800 8.290 0.201 -0.176 0.419 325 A N -1.397 121.489 122.820 0.111 0.000 1.948 325 A HA -0.372 nan 4.320 nan 0.000 0.220 325 A C 2.284 179.930 177.584 0.104 0.000 1.177 325 A CA 2.942 55.037 52.037 0.097 0.000 0.636 325 A CB -1.283 17.774 19.000 0.095 0.000 0.815 325 A HN 0.263 8.453 8.150 0.129 0.037 0.449 326 S N -0.997 114.788 115.700 0.142 0.000 2.345 326 S HA -0.284 nan 4.470 nan 0.000 0.220 326 S C 1.948 176.661 174.600 0.188 0.000 1.031 326 S CA 3.048 61.373 58.200 0.208 0.000 0.996 326 S CB -0.204 63.187 63.200 0.319 0.000 0.882 326 S HN -0.560 7.718 8.310 0.149 0.121 0.445 327 L N 1.540 122.771 121.223 0.014 0.000 1.989 327 L HA -0.401 nan 4.340 nan 0.000 0.211 327 L C 1.584 178.455 176.870 0.001 0.000 1.071 327 L CA 3.250 57.923 54.840 -0.278 0.000 0.749 327 L CB -0.159 41.617 42.059 -0.472 0.000 0.890 327 L HN -0.727 7.523 8.230 0.034 0.000 0.431 328 E N -2.308 117.920 120.200 0.047 0.000 2.160 328 E HA -0.473 nan 4.350 nan 0.000 0.195 328 E C 2.398 179.015 176.600 0.028 0.000 0.991 328 E CA 3.146 59.578 56.400 0.055 0.000 0.810 328 E CB -0.503 29.233 29.700 0.060 0.000 0.742 328 E HN 0.049 8.430 8.360 0.035 0.000 0.466 329 S N 0.259 115.992 115.700 0.055 0.000 2.359 329 S HA -0.358 nan 4.470 nan 0.000 0.224 329 S C 2.062 176.683 174.600 0.034 0.000 1.035 329 S CA 3.249 61.481 58.200 0.054 0.000 1.018 329 S CB -0.050 63.198 63.200 0.081 0.000 0.876 329 S HN -0.228 8.022 8.310 0.073 0.104 0.448 330 C N 1.275 120.614 119.300 0.065 0.000 2.398 330 C HA -0.321 nan 4.460 nan 0.000 0.276 330 C C 2.318 177.287 174.990 -0.036 0.000 1.222 330 C CA 4.353 63.407 59.018 0.059 0.000 1.746 330 C CB -1.727 26.105 27.740 0.152 0.000 2.039 330 C HN -0.419 7.800 8.230 0.100 0.072 0.470 331 I N -0.295 120.209 120.570 -0.110 0.000 2.286 331 I HA -0.415 nan 4.170 nan 0.000 0.245 331 I C 1.172 177.085 176.117 -0.340 0.000 1.104 331 I CA 1.701 62.819 61.300 -0.303 0.000 1.397 331 I CB -0.231 37.355 38.000 -0.690 0.000 1.072 331 I HN -0.560 7.614 8.210 -0.061 0.000 0.417 332 R N -0.750 119.605 120.500 -0.241 0.000 2.083 332 R HA -0.506 nan 4.340 nan 0.000 0.237 332 R C 2.036 178.209 176.300 -0.213 0.000 1.137 332 R CA 4.371 60.332 56.100 -0.231 0.000 0.951 332 R CB -0.456 29.850 30.300 0.010 0.000 0.851 332 R HN -0.059 8.119 8.270 -0.153 0.000 0.434 333 E N -1.132 119.005 120.200 -0.105 0.000 2.097 333 E HA -0.391 nan 4.350 nan 0.000 0.196 333 E C 2.144 178.685 176.600 -0.098 0.000 1.000 333 E CA 3.174 59.537 56.400 -0.061 0.000 0.804 333 E CB -0.360 29.326 29.700 -0.023 0.000 0.740 333 E HN -0.326 7.989 8.360 -0.076 0.000 0.454 334 D N -0.003 120.308 120.400 -0.148 0.000 2.084 334 D HA -0.205 nan 4.640 nan 0.000 0.196 334 D C 2.337 178.521 176.300 -0.193 0.000 0.985 334 D CA 3.209 57.120 54.000 -0.148 0.000 0.826 334 D CB 0.291 40.999 40.800 -0.154 0.000 0.978 334 D HN -0.774 7.416 8.370 -0.161 0.083 0.456 335 L N -0.911 120.085 121.223 -0.379 0.000 2.141 335 L HA -0.240 nan 4.340 nan 0.000 0.209 335 L C 2.437 179.167 176.870 -0.235 0.000 1.094 335 L CA 1.980 56.529 54.840 -0.485 0.000 0.763 335 L CB -0.993 40.422 42.059 -1.074 0.000 0.908 335 L HN 0.037 7.989 8.230 -0.463 0.000 0.437 336 N N -0.413 118.190 118.700 -0.162 0.000 2.104 336 N HA -0.316 nan 4.740 nan 0.000 0.190 336 N C 2.281 177.921 175.510 0.217 0.000 1.024 336 N CA 3.238 56.391 53.050 0.173 0.000 0.853 336 N CB -0.041 38.539 38.487 0.155 0.000 1.008 336 N HN 0.305 8.508 8.380 -0.296 0.000 0.424 337 E N -1.407 118.858 120.200 0.109 0.000 2.028 337 E HA -0.178 nan 4.350 nan 0.000 0.190 337 E C 1.959 178.633 176.600 0.122 0.000 0.984 337 E CA 2.809 59.269 56.400 0.100 0.000 0.800 337 E CB 0.288 29.992 29.700 0.006 0.000 0.758 337 E HN -0.608 7.754 8.360 0.017 0.008 0.448 338 N N -3.138 115.605 118.700 0.072 0.000 2.236 338 N HA 0.015 nan 4.740 nan 0.000 0.196 338 N C -0.533 175.035 175.510 0.097 0.000 1.114 338 N CA 0.267 53.349 53.050 0.053 0.000 0.859 338 N CB 1.182 39.657 38.487 -0.021 0.000 0.982 338 N HN -0.432 7.959 8.380 0.019 0.000 0.493 339 A N 2.679 125.586 122.820 0.145 0.000 2.276 339 A HA 0.382 nan 4.320 nan 0.000 0.300 339 A C -2.348 175.346 177.584 0.184 0.000 1.235 339 A CA -2.560 49.559 52.037 0.136 0.000 0.867 339 A CB -0.028 19.089 19.000 0.195 0.000 1.137 339 A HN 0.028 8.181 8.150 0.165 0.096 0.527 340 P HA 0.148 nan 4.420 nan 0.000 0.281 340 P C -0.727 176.722 177.300 0.247 0.000 1.252 340 P CA -0.708 62.511 63.100 0.199 0.000 0.778 340 P CB 0.621 32.441 31.700 0.199 0.000 0.895 341 R N 4.630 125.202 120.500 0.120 0.000 2.707 341 R HA 0.442 nan 4.340 nan 0.000 0.270 341 R C -0.835 175.524 176.300 0.097 0.000 1.083 341 R CA 0.422 56.575 56.100 0.087 0.000 1.182 341 R CB 0.543 30.822 30.300 -0.035 0.000 1.084 341 R HN 0.177 8.476 8.270 0.048 0.000 0.528 342 A N -1.112 121.714 122.820 0.009 0.000 2.536 342 A HA 0.416 nan 4.320 nan 0.000 0.293 342 A C -2.374 175.008 177.584 -0.337 0.000 1.119 342 A CA -0.697 51.243 52.037 -0.162 0.000 0.654 342 A CB 3.299 22.160 19.000 -0.231 0.000 1.291 342 A HN 0.262 8.421 8.150 0.014 0.000 0.439 343 M N -0.854 118.439 119.600 -0.511 0.000 2.321 343 M HA 0.496 nan 4.480 nan 0.000 0.315 343 M C -1.801 174.043 176.300 -0.761 0.000 1.052 343 M CA -1.497 53.455 55.300 -0.579 0.000 0.936 343 M CB 2.805 35.079 32.600 -0.544 0.000 1.639 343 M HN -0.328 7.799 8.290 -0.498 -0.136 0.433 344 A N 1.681 124.026 122.820 -0.792 0.000 2.574 344 A HA 0.658 nan 4.320 nan 0.000 0.297 344 A C -2.426 174.943 177.584 -0.358 0.000 1.062 344 A CA -0.488 51.080 52.037 -0.781 0.000 0.686 344 A CB 3.012 21.104 19.000 -1.515 0.000 1.285 344 A HN 0.034 7.764 8.150 -0.700 0.000 0.403 345 V N 0.561 120.357 119.914 -0.198 0.000 2.444 345 V HA 0.557 nan 4.120 nan 0.000 0.294 345 V C -0.116 175.900 176.094 -0.130 0.000 1.022 345 V CA -1.095 61.194 62.300 -0.018 0.000 0.850 345 V CB 1.624 33.470 31.823 0.039 0.000 0.992 345 V HN 0.737 8.776 8.190 -0.252 0.000 0.426 346 I N 6.674 127.201 120.570 -0.073 0.000 2.235 346 I HA -0.130 nan 4.170 nan 0.000 0.241 346 I C -0.344 175.708 176.117 -0.107 0.000 1.085 346 I CA 2.953 64.195 61.300 -0.097 0.000 1.378 346 I CB 0.702 38.691 38.000 -0.019 0.000 1.076 346 I HN 0.437 8.657 8.210 0.017 0.000 0.415 347 D N -1.287 119.084 120.400 -0.049 0.000 2.460 347 D HA 0.429 nan 4.640 nan 0.000 0.232 347 D C -2.648 173.632 176.300 -0.033 0.000 1.079 347 D CA -3.321 50.650 54.000 -0.048 0.000 0.864 347 D CB 2.336 43.135 40.800 -0.002 0.000 1.048 347 D HN -0.771 7.789 8.370 -0.002 -0.191 0.523 348 P HA 0.615 nan 4.420 nan 0.000 0.304 348 P C -2.339 175.031 177.300 0.116 0.000 1.365 348 P CA -1.432 61.660 63.100 -0.013 0.000 0.935 348 P CB 2.542 34.129 31.700 -0.189 0.000 1.091 349 V N 1.673 121.728 119.914 0.236 0.000 2.495 349 V HA 0.351 nan 4.120 nan 0.000 0.298 349 V C -1.603 174.669 176.094 0.296 0.000 1.031 349 V CA -2.816 59.629 62.300 0.241 0.000 0.871 349 V CB 3.255 35.148 31.823 0.116 0.000 0.988 349 V HN 0.831 9.148 8.190 0.211 0.000 0.432 350 K N 9.041 129.574 120.400 0.221 0.000 2.401 350 K HA 0.113 nan 4.320 nan 0.000 0.278 350 K C -2.104 174.323 176.600 -0.288 0.000 1.018 350 K CA 0.700 56.870 56.287 -0.195 0.000 0.981 350 K CB 0.958 33.185 32.500 -0.455 0.000 0.933 350 K HN 0.137 8.545 8.250 0.262 0.000 0.477 351 L N 6.384 127.390 121.223 -0.361 0.000 2.372 351 L HA 0.749 nan 4.340 nan 0.000 0.274 351 L C -2.461 174.147 176.870 -0.436 0.000 0.988 351 L CA -1.356 53.264 54.840 -0.367 0.000 0.833 351 L CB 3.205 45.121 42.059 -0.239 0.000 1.236 351 L HN -0.214 7.765 8.230 -0.418 0.000 0.410 352 V N 2.793 122.409 119.914 -0.496 0.000 2.398 352 V HA 0.683 nan 4.120 nan 0.000 0.286 352 V C -1.347 174.594 176.094 -0.256 0.000 1.026 352 V CA -3.412 58.639 62.300 -0.416 0.000 0.868 352 V CB 1.309 32.863 31.823 -0.448 0.000 0.982 352 V HN 0.961 8.784 8.190 -0.611 0.000 0.443 353 I N 6.746 127.194 120.570 -0.202 0.000 2.301 353 I HA 0.109 nan 4.170 nan 0.000 0.292 353 I C 0.795 176.942 176.117 0.051 0.000 1.046 353 I CA 0.211 61.475 61.300 -0.059 0.000 1.282 353 I CB -0.553 37.384 38.000 -0.105 0.000 1.409 353 I HN 0.293 8.208 8.210 -0.284 0.124 0.484 354 E N 9.468 129.732 120.200 0.106 0.000 2.047 354 E HA -0.329 nan 4.350 nan 0.000 0.191 354 E C 1.061 177.740 176.600 0.131 0.000 0.987 354 E CA 2.688 59.161 56.400 0.121 0.000 0.799 354 E CB -0.111 29.663 29.700 0.124 0.000 0.752 354 E HN 0.194 8.621 8.360 0.111 0.000 0.449 355 N N -1.832 116.964 118.700 0.161 0.000 2.334 355 N HA -0.248 nan 4.740 nan 0.000 0.187 355 N C -0.028 175.638 175.510 0.261 0.000 1.016 355 N CA 1.072 54.214 53.050 0.152 0.000 0.879 355 N CB 0.344 38.888 38.487 0.094 0.000 0.965 355 N HN -0.088 8.389 8.380 0.162 0.000 0.438 356 Y N 0.295 120.722 120.300 0.212 0.000 2.597 356 Y HA -0.265 nan 4.550 nan 0.000 0.336 356 Y C -0.789 175.152 175.900 0.068 0.000 1.216 356 Y CA 1.457 59.651 58.100 0.156 0.000 1.463 356 Y CB 0.521 38.952 38.460 -0.048 0.000 1.303 356 Y HN -0.860 7.599 8.280 0.383 0.051 0.576 357 Q N 6.854 126.298 119.800 -0.594 0.000 2.292 357 Q HA 0.322 nan 4.340 nan 0.000 0.270 357 Q C -0.501 175.190 176.000 -0.516 0.000 1.024 357 Q CA -1.140 54.432 55.803 -0.385 0.000 0.768 357 Q CB 1.535 30.133 28.738 -0.235 0.000 1.250 357 Q HN 0.392 7.998 8.270 -1.106 0.000 0.447 358 G N 3.142 111.811 108.800 -0.219 0.000 2.515 358 G HA2 -0.232 nan 3.960 nan 0.000 0.686 358 G HA3 -0.232 nan 3.960 nan 0.000 0.686 358 G C -1.113 173.840 174.900 0.088 0.000 1.274 358 G CA -0.709 44.337 45.100 -0.090 0.000 0.874 358 G HN -0.203 8.015 8.290 -0.120 0.000 0.631 359 E N -0.792 119.467 120.200 0.099 0.000 2.515 359 E HA -0.118 nan 4.350 nan 0.000 0.201 359 E C -0.275 176.453 176.600 0.214 0.000 1.071 359 E CA 0.626 57.101 56.400 0.124 0.000 0.880 359 E CB 0.145 29.894 29.700 0.083 0.000 0.828 359 E HN 0.220 8.616 8.360 0.061 0.000 0.540 360 G N -4.239 104.766 108.800 0.342 0.000 2.331 360 G HA2 -0.174 nan 3.960 nan 0.000 0.402 360 G HA3 -0.174 nan 3.960 nan 0.000 0.402 360 G C -2.118 172.999 174.900 0.361 0.000 1.275 360 G CA -0.593 44.755 45.100 0.414 0.000 1.003 360 G HN -0.662 7.712 8.290 0.302 0.098 0.500 361 E N -2.210 118.198 120.200 0.348 0.000 2.233 361 E HA 0.278 nan 4.350 nan 0.000 0.223 361 E C -2.011 174.698 176.600 0.182 0.000 1.048 361 E CA -0.713 55.840 56.400 0.255 0.000 0.883 361 E CB 2.328 32.206 29.700 0.296 0.000 1.925 361 E HN 0.678 9.144 8.360 0.357 0.109 0.460 362 M N 0.327 120.011 119.600 0.141 0.000 2.238 362 M HA 0.342 nan 4.480 nan 0.000 0.278 362 M C -1.370 174.977 176.300 0.079 0.000 1.040 362 M CA -0.296 55.061 55.300 0.095 0.000 0.969 362 M CB 2.547 35.175 32.600 0.047 0.000 1.694 362 M HN -0.060 8.311 8.290 0.135 0.000 0.472 363 V N 6.342 126.317 119.914 0.101 0.000 2.713 363 V HA 0.310 nan 4.120 nan 0.000 0.307 363 V C -1.161 174.960 176.094 0.046 0.000 1.052 363 V CA -1.647 60.683 62.300 0.051 0.000 0.967 363 V CB 2.647 34.517 31.823 0.080 0.000 1.019 363 V HN 1.012 9.205 8.190 0.162 0.094 0.459 364 T N 6.336 120.901 114.554 0.018 0.000 2.753 364 T HA 0.440 nan 4.350 nan 0.000 0.297 364 T C -0.913 173.798 174.700 0.018 0.000 0.981 364 T CA 0.027 62.138 62.100 0.017 0.000 0.956 364 T CB -0.284 68.590 68.868 0.010 0.000 0.936 364 T HN 0.233 8.472 8.240 -0.002 0.000 0.463 365 M N 6.800 126.411 119.600 0.019 0.000 2.472 365 M HA 0.534 nan 4.480 nan 0.000 0.331 365 M C -2.491 173.821 176.300 0.019 0.000 1.170 365 M CA -2.644 52.664 55.300 0.014 0.000 1.009 365 M CB 2.588 35.184 32.600 -0.007 0.000 1.672 365 M HN 0.845 9.145 8.290 0.017 0.000 0.453 366 P HA 0.225 nan 4.420 nan 0.000 0.285 366 P C -0.181 177.152 177.300 0.055 0.000 1.259 366 P CA -0.708 62.419 63.100 0.045 0.000 0.794 366 P CB 0.681 32.412 31.700 0.051 0.000 0.940 367 N N 2.452 121.201 118.700 0.082 0.000 2.512 367 N HA -0.239 nan 4.740 nan 0.000 0.183 367 N C -0.929 174.673 175.510 0.152 0.000 1.073 367 N CA 2.077 55.193 53.050 0.110 0.000 0.911 367 N CB 0.911 39.471 38.487 0.122 0.000 0.964 367 N HN 0.473 8.795 8.380 0.080 0.106 0.447 368 H N -1.943 117.157 119.070 0.049 0.000 3.289 368 H HA 0.282 nan 4.556 nan 0.000 0.330 368 H C -2.350 173.001 175.328 0.038 0.000 1.187 368 H CA -1.981 54.097 56.048 0.050 0.000 1.601 368 H CB 2.027 31.818 29.762 0.049 0.000 1.997 368 H HN -0.595 7.726 8.280 0.163 0.056 0.489 369 P HA -0.260 nan 4.420 nan 0.000 0.218 369 P C -0.447 176.948 177.300 0.157 0.000 1.150 369 P CA 2.251 65.409 63.100 0.096 0.000 0.841 369 P CB 0.168 31.883 31.700 0.025 0.000 0.784 370 N N -5.157 113.728 118.700 0.308 0.000 2.204 370 N HA 0.127 nan 4.740 nan 0.000 0.219 370 N C -1.186 174.388 175.510 0.106 0.000 1.151 370 N CA 0.367 53.535 53.050 0.197 0.000 0.867 370 N CB 1.046 39.641 38.487 0.180 0.000 1.043 370 N HN 0.029 8.728 8.380 0.589 0.034 0.516 371 K N -0.288 120.168 120.400 0.093 0.000 2.865 371 K HA 0.478 nan 4.320 nan 0.000 0.215 371 K C -1.687 174.913 176.600 -0.000 0.000 1.120 371 K CA -2.324 53.923 56.287 -0.067 0.000 1.037 371 K CB 1.197 33.481 32.500 -0.359 0.000 1.233 371 K HN -0.119 8.100 8.250 0.231 0.169 0.577 372 P HA -0.294 nan 4.420 nan 0.000 0.217 372 P C 1.203 178.513 177.300 0.017 0.000 1.151 372 P CA 2.361 65.477 63.100 0.027 0.000 0.849 372 P CB -0.104 31.607 31.700 0.018 0.000 0.787 373 E N -0.982 119.215 120.200 -0.004 0.000 2.209 373 E HA -0.208 nan 4.350 nan 0.000 0.196 373 E C 1.601 178.201 176.600 0.001 0.000 0.993 373 E CA 2.234 58.629 56.400 -0.008 0.000 0.819 373 E CB -1.272 28.413 29.700 -0.025 0.000 0.745 373 E HN 0.532 8.854 8.360 -0.016 0.028 0.477 374 M N -1.712 117.893 119.600 0.008 0.000 2.630 374 M HA -0.213 nan 4.480 nan 0.000 0.254 374 M C 0.560 176.892 176.300 0.054 0.000 1.092 374 M CA 0.639 55.960 55.300 0.034 0.000 1.087 374 M CB 0.255 32.895 32.600 0.066 0.000 1.453 374 M HN -0.283 7.972 8.290 0.000 0.036 0.509 375 G N -0.796 108.032 108.800 0.047 0.000 2.710 375 G HA2 -0.270 nan 3.960 nan 0.000 0.668 375 G HA3 -0.270 nan 3.960 nan 0.000 0.668 375 G C -2.185 172.748 174.900 0.055 0.000 1.320 375 G CA -0.731 44.397 45.100 0.046 0.000 0.860 375 G HN -0.524 7.721 8.290 0.039 0.069 0.538 376 S N -1.126 114.601 115.700 0.045 0.000 2.697 376 S HA 1.040 nan 4.470 nan 0.000 0.289 376 S C -1.602 173.020 174.600 0.038 0.000 1.149 376 S CA -1.306 56.919 58.200 0.042 0.000 0.850 376 S CB 3.091 66.310 63.200 0.032 0.000 1.151 376 S HN 0.106 8.440 8.310 0.040 0.000 0.491 377 R N -3.673 116.845 120.500 0.029 0.000 2.739 377 R HA 0.348 nan 4.340 nan 0.000 0.271 377 R C -2.401 173.908 176.300 0.015 0.000 1.010 377 R CA -1.555 54.559 56.100 0.023 0.000 0.897 377 R CB 2.710 33.024 30.300 0.022 0.000 1.236 377 R HN 0.876 9.055 8.270 0.026 0.107 0.466 378 Q N 1.983 121.790 119.800 0.012 0.000 2.465 378 Q HA 0.323 nan 4.340 nan 0.000 0.237 378 Q C -1.148 174.852 176.000 0.001 0.000 1.051 378 Q CA -0.540 55.270 55.803 0.011 0.000 0.874 378 Q CB 0.000 28.745 28.738 0.011 0.000 1.207 378 Q HN 0.098 8.376 8.270 0.012 0.000 0.508 379 V N 8.260 128.181 119.914 0.013 0.000 2.439 379 V HA 0.460 nan 4.120 nan 0.000 0.282 379 V C -2.026 174.108 176.094 0.067 0.000 1.039 379 V CA -3.083 59.220 62.300 0.005 0.000 0.913 379 V CB 1.543 33.351 31.823 -0.026 0.000 0.983 379 V HN 0.756 8.962 8.190 0.027 0.000 0.460 380 P HA 0.287 nan 4.420 nan 0.000 0.272 380 P C -2.072 175.400 177.300 0.287 0.000 1.223 380 P CA -0.462 62.615 63.100 -0.038 0.000 0.784 380 P CB 0.594 31.930 31.700 -0.607 0.000 0.923 381 F N 0.620 120.630 119.950 0.100 0.000 2.613 381 F HA 0.337 nan 4.527 nan 0.000 0.314 381 F C -2.173 173.576 175.800 -0.085 0.000 1.075 381 F CA -1.534 56.492 58.000 0.044 0.000 0.945 381 F CB 3.899 42.868 39.000 -0.053 0.000 1.310 381 F HN -0.151 8.202 8.300 0.254 0.099 0.467 382 S N 3.858 118.853 115.700 -1.174 0.000 2.815 382 S HA 0.326 nan 4.470 nan 0.000 0.296 382 S C -1.627 171.979 174.600 -1.657 0.000 1.224 382 S CA -1.317 56.251 58.200 -1.052 0.000 0.938 382 S CB 2.293 65.253 63.200 -0.400 0.000 1.285 382 S HN -0.030 6.956 8.310 -2.206 0.000 0.549 383 G N -1.607 106.542 108.800 -1.086 0.000 2.437 383 G HA2 0.034 nan 3.960 nan 0.000 0.212 383 G HA3 0.034 nan 3.960 nan 0.000 0.212 383 G C -0.577 173.976 174.900 -0.578 0.000 1.174 383 G CA 0.568 45.219 45.100 -0.747 0.000 0.811 383 G HN 0.471 8.363 8.290 -0.664 0.000 0.537 384 E N 1.827 121.726 120.200 -0.503 0.000 1.893 384 E HA 0.415 nan 4.350 nan 0.000 0.269 384 E C -0.889 175.349 176.600 -0.603 0.000 1.129 384 E CA -0.970 55.118 56.400 -0.520 0.000 0.904 384 E CB -0.761 28.657 29.700 -0.470 0.000 1.077 384 E HN -0.481 7.611 8.360 -0.446 0.000 0.407 385 I N -1.675 118.551 120.570 -0.574 0.000 3.474 385 I HA 0.727 nan 4.170 nan 0.000 0.294 385 I C -1.640 174.224 176.117 -0.422 0.000 1.185 385 I CA -2.419 58.618 61.300 -0.438 0.000 1.003 385 I CB 3.071 40.884 38.000 -0.313 0.000 1.327 385 I HN 0.399 8.287 8.210 -0.537 0.000 0.541 386 W N -2.063 119.182 121.300 -0.090 0.000 2.656 386 W HA 0.577 nan 4.660 nan 0.000 0.327 386 W C -0.906 175.606 176.519 -0.011 0.000 1.041 386 W CA -1.607 55.698 57.345 -0.067 0.000 1.229 386 W CB 2.615 32.044 29.460 -0.051 0.000 1.397 386 W HN -0.222 7.963 8.180 0.181 0.104 0.479 387 I N -2.917 117.818 120.570 0.275 0.000 3.002 387 I HA 0.627 nan 4.170 nan 0.000 0.310 387 I C -2.472 173.689 176.117 0.074 0.000 1.087 387 I CA -2.930 58.435 61.300 0.109 0.000 1.017 387 I CB 3.865 41.899 38.000 0.058 0.000 1.226 387 I HN 0.418 8.826 8.210 0.331 0.000 0.443 388 D N 0.436 120.809 120.400 -0.044 0.000 2.317 388 D HA 0.103 nan 4.640 nan 0.000 0.252 388 D C 1.024 177.366 176.300 0.070 0.000 1.174 388 D CA -0.288 53.714 54.000 0.003 0.000 0.866 388 D CB 1.189 41.970 40.800 -0.032 0.000 1.127 388 D HN 0.409 8.672 8.370 -0.179 0.000 0.467 389 R N 9.431 129.986 120.500 0.092 0.000 2.136 389 R HA -0.454 nan 4.340 nan 0.000 0.242 389 R C 1.486 177.875 176.300 0.149 0.000 1.131 389 R CA 4.251 60.426 56.100 0.125 0.000 0.937 389 R CB -0.025 30.331 30.300 0.094 0.000 0.863 389 R HN 0.367 8.681 8.270 0.073 0.000 0.435 390 A N -4.062 118.830 122.820 0.120 0.000 2.272 390 A HA -0.191 nan 4.320 nan 0.000 0.213 390 A C 0.417 178.105 177.584 0.174 0.000 1.183 390 A CA 1.790 53.908 52.037 0.135 0.000 0.719 390 A CB -0.994 18.072 19.000 0.110 0.000 0.771 390 A HN 0.155 8.364 8.150 0.098 0.000 0.484 391 D N -4.444 116.058 120.400 0.171 0.000 2.389 391 D HA 0.189 nan 4.640 nan 0.000 0.206 391 D C -1.278 175.197 176.300 0.292 0.000 1.055 391 D CA 1.153 55.251 54.000 0.164 0.000 0.856 391 D CB 1.563 42.403 40.800 0.067 0.000 0.957 391 D HN -0.057 8.178 8.370 0.159 0.231 0.509 392 F N 0.564 120.623 119.950 0.182 0.000 2.480 392 F HA 0.502 nan 4.527 nan 0.000 0.329 392 F C -1.837 174.045 175.800 0.138 0.000 1.091 392 F CA -1.051 57.052 58.000 0.172 0.000 0.972 392 F CB 2.350 41.404 39.000 0.090 0.000 1.150 392 F HN -0.343 8.156 8.300 0.331 0.000 0.467 393 R N 6.187 125.965 120.500 -1.203 0.000 2.533 393 R HA 0.358 nan 4.340 nan 0.000 0.288 393 R C -0.235 175.386 176.300 -1.133 0.000 1.039 393 R CA -0.690 54.813 56.100 -0.996 0.000 0.909 393 R CB 3.016 32.683 30.300 -1.055 0.000 1.195 393 R HN 0.839 8.264 8.270 -1.409 0.000 0.438 394 E N 4.277 124.075 120.200 -0.670 0.000 2.204 394 E HA -0.237 nan 4.350 nan 0.000 0.194 394 E C -0.691 175.778 176.600 -0.218 0.000 0.989 394 E CA 2.048 58.279 56.400 -0.281 0.000 0.824 394 E CB 0.417 30.096 29.700 -0.035 0.000 0.756 394 E HN 0.549 8.626 8.360 -0.472 0.000 0.477 395 E N -3.654 116.377 120.200 -0.282 0.000 2.378 395 E HA 0.407 nan 4.350 nan 0.000 0.283 395 E C -2.047 174.383 176.600 -0.283 0.000 0.979 395 E CA -1.071 55.202 56.400 -0.212 0.000 0.795 395 E CB 2.391 32.020 29.700 -0.120 0.000 1.221 395 E HN -0.370 7.742 8.360 -0.361 0.031 0.428 396 A N 1.153 123.832 122.820 -0.235 0.000 2.583 396 A HA 0.416 nan 4.320 nan 0.000 0.292 396 A C -1.791 175.744 177.584 -0.081 0.000 1.045 396 A CA -0.519 51.381 52.037 -0.228 0.000 0.672 396 A CB 1.554 20.245 19.000 -0.515 0.000 1.283 396 A HN 0.466 8.519 8.150 -0.162 0.000 0.419 397 N N 0.748 119.432 118.700 -0.027 0.000 2.255 397 N HA -0.107 nan 4.740 nan 0.000 0.253 397 N C 0.141 175.688 175.510 0.060 0.000 1.313 397 N CA -0.220 52.841 53.050 0.017 0.000 0.912 397 N CB 0.629 39.128 38.487 0.020 0.000 1.145 397 N HN 0.120 8.477 8.380 -0.038 0.000 0.511 398 K N -1.342 119.088 120.400 0.051 0.000 2.147 398 K HA -0.206 nan 4.320 nan 0.000 0.205 398 K C 0.842 177.485 176.600 0.072 0.000 1.049 398 K CA 2.150 58.471 56.287 0.057 0.000 0.936 398 K CB 0.028 32.550 32.500 0.038 0.000 0.722 398 K HN 0.054 8.325 8.250 0.036 0.000 0.446 399 Q N -3.345 116.499 119.800 0.074 0.000 2.014 399 Q HA -0.287 nan 4.340 nan 0.000 0.207 399 Q C 0.661 176.720 176.000 0.097 0.000 0.993 399 Q CA 1.489 57.337 55.803 0.074 0.000 0.850 399 Q CB 0.089 28.871 28.738 0.073 0.000 0.916 399 Q HN -0.271 8.093 8.270 0.065 -0.055 0.417 400 Y N 1.736 122.034 120.300 -0.004 0.000 2.849 400 Y HA -0.212 nan 4.550 nan 0.000 0.362 400 Y C 0.067 175.967 175.900 -0.001 0.000 1.320 400 Y CA 0.655 58.750 58.100 -0.008 0.000 1.678 400 Y CB 0.330 38.773 38.460 -0.028 0.000 1.220 400 Y HN -0.827 7.794 8.280 0.237 -0.200 0.518 401 K N 3.565 123.812 120.400 -0.256 0.000 2.675 401 K HA 0.156 nan 4.320 nan 0.000 0.213 401 K C -1.660 174.789 176.600 -0.251 0.000 1.074 401 K CA -0.358 55.828 56.287 -0.169 0.000 1.172 401 K CB 0.377 32.825 32.500 -0.085 0.000 0.927 401 K HN -0.097 7.962 8.250 -0.319 0.000 0.471 402 R N -2.142 118.047 120.500 -0.519 0.000 3.149 402 R HA 0.452 nan 4.340 nan 0.000 0.213 402 R C -1.194 175.102 176.300 -0.007 0.000 1.639 402 R CA -1.183 54.721 56.100 -0.326 0.000 0.930 402 R CB 1.948 31.952 30.300 -0.494 0.000 2.313 402 R HN -0.781 6.849 8.270 -0.940 0.076 0.533 403 L N 1.915 123.226 121.223 0.147 0.000 2.312 403 L HA 0.159 nan 4.340 nan 0.000 0.287 403 L C -1.990 175.032 176.870 0.254 0.000 1.091 403 L CA -0.275 54.727 54.840 0.270 0.000 0.846 403 L CB 0.086 42.359 42.059 0.356 0.000 1.219 403 L HN -0.218 8.083 8.230 0.119 0.000 0.439 404 V N 6.287 126.307 119.914 0.177 0.000 2.713 404 V HA 0.337 nan 4.120 nan 0.000 0.307 404 V C -0.116 176.052 176.094 0.123 0.000 1.052 404 V CA -1.530 60.752 62.300 -0.029 0.000 0.967 404 V CB 1.116 32.947 31.823 0.013 0.000 1.019 404 V HN -0.260 8.047 8.190 0.195 0.000 0.459 405 L N 3.149 124.423 121.223 0.084 0.000 2.661 405 L HA -0.228 nan 4.340 nan 0.000 0.236 405 L C -0.039 176.938 176.870 0.178 0.000 1.176 405 L CA 1.901 56.923 54.840 0.304 0.000 0.836 405 L CB -0.155 42.070 42.059 0.276 0.000 0.960 405 L HN 0.243 8.365 8.230 -0.181 0.000 0.455 406 G N -2.766 106.108 108.800 0.123 0.000 2.850 406 G HA2 -0.106 nan 3.960 nan 0.000 0.207 406 G HA3 -0.106 nan 3.960 nan 0.000 0.207 406 G C -0.622 174.333 174.900 0.092 0.000 1.174 406 G CA 0.151 45.306 45.100 0.091 0.000 0.844 406 G HN -0.279 7.953 8.290 0.108 0.123 0.635 407 K N 0.824 121.279 120.400 0.092 0.000 2.583 407 K HA 0.156 nan 4.320 nan 0.000 0.266 407 K C -0.989 175.671 176.600 0.099 0.000 1.037 407 K CA 0.079 56.417 56.287 0.085 0.000 0.996 407 K CB 1.127 33.671 32.500 0.073 0.000 1.307 407 K HN -0.319 7.986 8.250 0.092 0.000 0.502 408 E N -1.539 118.712 120.200 0.084 0.000 2.212 408 E HA 0.575 nan 4.350 nan 0.000 0.270 408 E C -1.273 175.378 176.600 0.084 0.000 0.956 408 E CA -0.813 55.639 56.400 0.087 0.000 0.825 408 E CB 2.208 31.952 29.700 0.073 0.000 1.167 408 E HN -0.120 8.284 8.360 0.072 0.000 0.400 409 V N -3.257 116.710 119.914 0.089 0.000 2.971 409 V HA 0.689 nan 4.120 nan 0.000 0.309 409 V C -2.219 173.922 176.094 0.078 0.000 1.130 409 V CA -2.763 59.584 62.300 0.078 0.000 0.964 409 V CB 3.794 35.668 31.823 0.085 0.000 1.029 409 V HN 0.478 8.726 8.190 0.096 0.000 0.427 410 R N 2.575 123.117 120.500 0.070 0.000 2.390 410 R HA 0.479 nan 4.340 nan 0.000 0.291 410 R C -1.015 175.341 176.300 0.093 0.000 1.070 410 R CA -2.038 54.105 56.100 0.071 0.000 1.014 410 R CB 0.753 31.087 30.300 0.058 0.000 1.007 410 R HN 0.764 8.975 8.270 0.061 0.095 0.466 411 L N 3.837 125.109 121.223 0.082 0.000 2.399 411 L HA 0.347 nan 4.340 nan 0.000 0.266 411 L C -0.009 177.045 176.870 0.307 0.000 1.114 411 L CA -0.735 54.197 54.840 0.154 0.000 0.804 411 L CB 0.840 42.789 42.059 -0.184 0.000 1.146 411 L HN 0.167 8.423 8.230 0.044 0.000 0.451 412 R N 3.000 123.834 120.500 0.557 0.000 2.473 412 R HA -0.261 nan 4.340 nan 0.000 0.315 412 R C 0.057 176.601 176.300 0.406 0.000 0.972 412 R CA 1.351 57.674 56.100 0.372 0.000 1.047 412 R CB -0.668 29.748 30.300 0.193 0.000 0.932 412 R HN 0.181 8.888 8.270 0.729 0.000 0.411 413 N N -0.505 118.303 118.700 0.179 0.000 2.708 413 N HA -0.432 nan 4.740 nan 0.000 0.249 413 N C -1.750 173.775 175.510 0.024 0.000 1.097 413 N CA 1.660 54.765 53.050 0.093 0.000 0.710 413 N CB -1.315 37.227 38.487 0.093 0.000 1.032 413 N HN 0.565 9.021 8.380 0.126 0.000 0.551 414 A N -5.334 117.452 122.820 -0.055 0.000 3.955 414 A HA 0.367 nan 4.320 nan 0.000 0.175 414 A C -1.954 175.304 177.584 -0.543 0.000 0.682 414 A CA -0.929 50.840 52.037 -0.445 0.000 0.834 414 A CB 2.191 20.896 19.000 -0.492 0.000 1.657 414 A HN -0.469 7.672 8.150 0.032 0.027 0.820 415 Y N -3.019 117.088 120.300 -0.321 0.000 2.307 415 Y HA 0.189 nan 4.550 nan 0.000 0.324 415 Y C -0.227 175.655 175.900 -0.031 0.000 1.238 415 Y CA -0.747 57.270 58.100 -0.139 0.000 1.280 415 Y CB 1.102 39.484 38.460 -0.130 0.000 1.248 415 Y HN -0.198 7.744 8.280 -0.563 0.000 0.508 416 V N 3.533 123.575 119.914 0.213 0.000 2.356 416 V HA 0.172 nan 4.120 nan 0.000 0.258 416 V C -0.419 175.778 176.094 0.173 0.000 1.065 416 V CA -0.047 62.339 62.300 0.143 0.000 0.935 416 V CB -1.673 30.216 31.823 0.109 0.000 1.061 416 V HN -0.166 8.185 8.190 0.270 0.000 0.484 417 I N 3.072 123.727 120.570 0.142 0.000 3.244 417 I HA 0.811 nan 4.170 nan 0.000 0.314 417 I C -1.722 174.463 176.117 0.113 0.000 1.043 417 I CA -1.633 59.751 61.300 0.141 0.000 1.099 417 I CB 1.662 39.717 38.000 0.092 0.000 1.449 417 I HN 0.349 8.626 8.210 0.112 0.000 0.625 418 K N -0.929 119.534 120.400 0.105 0.000 2.565 418 K HA 0.372 nan 4.320 nan 0.000 0.249 418 K C -1.510 175.151 176.600 0.102 0.000 0.958 418 K CA -1.119 55.227 56.287 0.099 0.000 0.806 418 K CB 3.676 36.224 32.500 0.080 0.000 1.194 418 K HN 0.123 8.437 8.250 0.107 0.000 0.434 419 A N 7.148 130.048 122.820 0.133 0.000 2.498 419 A HA 0.040 nan 4.320 nan 0.000 0.239 419 A C -1.022 176.637 177.584 0.125 0.000 1.068 419 A CA 1.232 53.360 52.037 0.151 0.000 0.766 419 A CB 0.233 19.415 19.000 0.302 0.000 1.003 419 A HN 0.329 8.569 8.150 0.150 0.000 0.497 420 E N 2.611 122.875 120.200 0.107 0.000 3.001 420 E HA 0.125 nan 4.350 nan 0.000 0.211 420 E C -0.791 175.860 176.600 0.086 0.000 1.026 420 E CA 0.718 57.173 56.400 0.091 0.000 1.614 420 E CB 2.962 32.708 29.700 0.076 0.000 1.672 420 E HN 0.006 8.421 8.360 0.092 0.000 0.869 421 R N -0.499 120.064 120.500 0.105 0.000 2.707 421 R HA 0.312 nan 4.340 nan 0.000 0.272 421 R C -2.930 173.468 176.300 0.164 0.000 1.011 421 R CA -1.117 55.039 56.100 0.094 0.000 0.893 421 R CB 3.722 34.018 30.300 -0.008 0.000 1.233 421 R HN -0.202 8.147 8.270 0.131 0.000 0.464 422 V N 2.583 122.574 119.914 0.128 0.000 2.680 422 V HA 0.595 nan 4.120 nan 0.000 0.309 422 V C -1.337 174.852 176.094 0.158 0.000 1.052 422 V CA -1.849 60.522 62.300 0.118 0.000 0.908 422 V CB 2.820 34.690 31.823 0.078 0.000 1.001 422 V HN 0.246 8.491 8.190 0.091 0.000 0.431 423 E N 6.372 126.696 120.200 0.206 0.000 2.149 423 E HA 0.342 nan 4.350 nan 0.000 0.255 423 E C -1.206 175.455 176.600 0.103 0.000 0.888 423 E CA -1.519 54.991 56.400 0.184 0.000 0.742 423 E CB 2.080 31.998 29.700 0.364 0.000 1.164 423 E HN 0.382 8.845 8.360 0.173 0.000 0.422 424 K N 5.583 126.027 120.400 0.073 0.000 2.098 424 K HA 0.181 nan 4.320 nan 0.000 0.257 424 K C -0.335 176.294 176.600 0.048 0.000 0.999 424 K CA -0.471 55.851 56.287 0.058 0.000 0.924 424 K CB 1.017 33.550 32.500 0.055 0.000 1.028 424 K HN 0.287 8.578 8.250 0.068 0.000 0.466 425 D N 2.272 122.698 120.400 0.043 0.000 2.447 425 D HA 0.019 nan 4.640 nan 0.000 0.265 425 D C 1.154 177.472 176.300 0.030 0.000 1.250 425 D CA -0.267 53.755 54.000 0.036 0.000 1.046 425 D CB 0.986 41.807 40.800 0.035 0.000 1.095 425 D HN 0.445 8.717 8.370 0.046 0.125 0.555 426 A N -2.156 120.679 122.820 0.025 0.000 1.883 426 A HA -0.218 nan 4.320 nan 0.000 0.217 426 A C 1.921 179.517 177.584 0.020 0.000 1.186 426 A CA 2.732 54.782 52.037 0.020 0.000 0.624 426 A CB -0.166 18.844 19.000 0.017 0.000 0.822 426 A HN 0.341 8.506 8.150 0.025 0.000 0.444 427 E N -2.013 118.199 120.200 0.021 0.000 2.424 427 E HA -0.043 nan 4.350 nan 0.000 0.237 427 E C -0.074 176.540 176.600 0.024 0.000 1.381 427 E CA -1.568 54.844 56.400 0.020 0.000 1.587 427 E CB -1.765 27.946 29.700 0.018 0.000 1.398 427 E HN -0.600 8.072 8.360 0.022 -0.298 0.439 428 G N -0.930 107.887 108.800 0.027 0.000 2.228 428 G HA2 -0.430 nan 3.960 nan 0.000 0.270 428 G HA3 -0.430 nan 3.960 nan 0.000 0.270 428 G C 0.006 174.931 174.900 0.041 0.000 0.976 428 G CA 0.786 45.905 45.100 0.032 0.000 0.636 428 G HN -0.233 7.979 8.290 0.026 0.093 0.542 429 N N 1.182 119.906 118.700 0.040 0.000 2.497 429 N HA 0.003 nan 4.740 nan 0.000 0.271 429 N C -0.593 174.949 175.510 0.054 0.000 1.142 429 N CA -0.261 52.818 53.050 0.047 0.000 0.965 429 N CB 0.913 39.425 38.487 0.040 0.000 1.077 429 N HN -0.279 8.152 8.380 0.034 -0.031 0.462 430 I N 2.424 123.034 120.570 0.067 0.000 2.754 430 I HA -0.184 nan 4.170 nan 0.000 0.285 430 I C -0.019 176.126 176.117 0.047 0.000 1.166 430 I CA 2.093 63.430 61.300 0.061 0.000 1.417 430 I CB 0.407 38.451 38.000 0.073 0.000 1.382 430 I HN 0.431 8.688 8.210 0.078 0.000 0.588 431 T N 1.177 115.750 114.554 0.032 0.000 3.019 431 T HA 0.218 nan 4.350 nan 0.000 0.247 431 T C -0.575 174.112 174.700 -0.021 0.000 0.992 431 T CA 0.278 62.394 62.100 0.027 0.000 1.036 431 T CB 1.774 70.662 68.868 0.034 0.000 1.063 431 T HN 0.294 8.554 8.240 0.032 0.000 0.476 432 T N 1.972 116.480 114.554 -0.078 0.000 2.889 432 T HA 0.595 nan 4.350 nan 0.000 0.315 432 T C -2.529 171.976 174.700 -0.325 0.000 1.291 432 T CA -0.437 61.515 62.100 -0.246 0.000 1.028 432 T CB 2.444 71.085 68.868 -0.379 0.000 1.235 432 T HN -0.547 7.676 8.240 -0.029 0.000 0.491 433 I N 3.558 123.837 120.570 -0.485 0.000 2.509 433 I HA 0.850 nan 4.170 nan 0.000 0.293 433 I C -1.572 174.202 176.117 -0.572 0.000 1.020 433 I CA -1.541 59.485 61.300 -0.457 0.000 1.088 433 I CB 3.614 41.290 38.000 -0.539 0.000 1.267 433 I HN 0.580 8.496 8.210 -0.491 0.000 0.430 434 F N 4.929 124.776 119.950 -0.171 0.000 2.427 434 F HA 0.660 nan 4.527 nan 0.000 0.346 434 F C -0.976 174.773 175.800 -0.085 0.000 1.120 434 F CA -1.186 56.747 58.000 -0.113 0.000 1.033 434 F CB 1.444 40.396 39.000 -0.080 0.000 1.126 434 F HN 0.671 9.045 8.300 0.123 0.000 0.462 435 C N 2.719 122.060 119.300 0.068 0.000 3.285 435 C HA 0.879 nan 4.460 nan 0.000 0.320 435 C C -1.641 173.403 174.990 0.091 0.000 1.411 435 C CA -1.610 57.446 59.018 0.063 0.000 1.429 435 C CB 4.493 32.245 27.740 0.020 0.000 1.812 435 C HN 0.404 8.654 8.230 0.033 0.000 0.454 436 T N -3.409 111.206 114.554 0.102 0.000 2.907 436 T HA 0.677 nan 4.350 nan 0.000 0.292 436 T C -2.849 171.956 174.700 0.175 0.000 1.043 436 T CA -2.222 59.953 62.100 0.124 0.000 1.003 436 T CB 2.458 71.362 68.868 0.060 0.000 1.084 436 T HN 0.634 8.929 8.240 0.092 0.000 0.483 437 Y N -2.201 118.096 120.300 -0.005 0.000 2.512 437 Y HA 0.677 nan 4.550 nan 0.000 0.348 437 Y C -2.270 173.607 175.900 -0.039 0.000 0.990 437 Y CA -2.870 55.222 58.100 -0.015 0.000 1.033 437 Y CB 3.022 41.456 38.460 -0.042 0.000 1.259 437 Y HN -0.076 8.329 8.280 0.208 0.000 0.461 438 D N 1.707 122.059 120.400 -0.080 0.000 2.249 438 D HA 0.081 nan 4.640 nan 0.000 0.246 438 D C -0.149 176.081 176.300 -0.117 0.000 1.114 438 D CA -1.782 52.124 54.000 -0.156 0.000 0.854 438 D CB 2.022 42.823 40.800 0.002 0.000 1.132 438 D HN -0.379 8.075 8.370 0.141 0.000 0.461 439 A N 5.830 128.479 122.820 -0.285 0.000 2.218 439 A HA 0.003 nan 4.320 nan 0.000 0.209 439 A C 0.569 178.232 177.584 0.133 0.000 1.168 439 A CA 1.864 53.867 52.037 -0.055 0.000 0.804 439 A CB 0.078 18.970 19.000 -0.180 0.000 0.834 439 A HN 0.444 8.377 8.150 -0.361 0.000 0.482 440 D N -2.478 117.958 120.400 0.061 0.000 2.355 440 D HA -0.013 nan 4.640 nan 0.000 0.218 440 D C -0.822 175.531 176.300 0.089 0.000 1.004 440 D CA 0.417 54.453 54.000 0.061 0.000 0.880 440 D CB 0.756 41.566 40.800 0.017 0.000 0.911 440 D HN -0.220 8.400 8.370 0.001 -0.249 0.528 441 T N -1.423 113.224 114.554 0.155 0.000 2.756 441 T HA 0.307 nan 4.350 nan 0.000 0.290 441 T C -0.984 173.749 174.700 0.055 0.000 0.985 441 T CA -1.135 61.036 62.100 0.119 0.000 0.955 441 T CB -0.009 68.937 68.868 0.129 0.000 0.930 441 T HN -0.790 7.504 8.240 0.216 0.076 0.451 455 V N 1.092 121.023 119.914 0.030 0.000 2.715 455 V HA 0.792 nan 4.120 nan 0.000 0.310 455 V C -0.921 175.219 176.094 0.076 0.000 1.054 455 V CA -2.371 59.968 62.300 0.064 0.000 0.928 455 V CB 1.603 33.465 31.823 0.066 0.000 1.007 455 V HN -0.224 7.974 8.190 0.012 0.000 0.437 456 I N -1.540 119.104 120.570 0.124 0.000 3.006 456 I HA 0.644 nan 4.170 nan 0.000 0.306 456 I C -1.936 174.311 176.117 0.216 0.000 1.250 456 I CA -1.623 59.752 61.300 0.125 0.000 0.996 456 I CB 4.014 42.046 38.000 0.053 0.000 1.261 456 I HN 0.313 8.616 8.210 0.155 0.000 0.442 457 H N -0.620 118.514 119.070 0.107 0.000 2.509 457 H HA 0.260 nan 4.556 nan 0.000 0.359 457 H C -0.816 174.589 175.328 0.127 0.000 1.253 457 H CA -1.473 54.581 56.048 0.009 0.000 1.373 457 H CB 1.427 31.102 29.762 -0.144 0.000 1.555 457 H HN 0.289 8.612 8.280 0.072 0.000 0.586 458 W N -6.446 114.875 121.300 0.034 0.000 2.989 458 W HA 0.332 nan 4.660 nan 0.000 0.344 458 W C -2.322 174.213 176.519 0.027 0.000 1.233 458 W CA -0.743 56.596 57.345 -0.012 0.000 1.187 458 W CB 1.763 31.209 29.460 -0.023 0.000 1.443 458 W HN -0.361 7.452 8.180 -0.612 0.000 0.573 459 V N 0.408 120.478 119.914 0.261 0.000 2.577 459 V HA 0.188 nan 4.120 nan 0.000 0.294 459 V C -0.695 175.564 176.094 0.275 0.000 1.052 459 V CA -0.470 61.914 62.300 0.140 0.000 0.891 459 V CB 2.496 34.368 31.823 0.082 0.000 1.017 459 V HN 0.161 8.586 8.190 0.391 0.000 0.436 460 S N 7.076 122.955 115.700 0.298 0.000 2.811 460 S HA -0.225 nan 4.470 nan 0.000 0.325 460 S C 1.183 175.748 174.600 -0.058 0.000 1.224 460 S CA 0.718 58.960 58.200 0.069 0.000 1.125 460 S CB 0.493 63.810 63.200 0.195 0.000 0.867 460 S HN 0.568 9.124 8.310 0.410 0.000 0.512 461 A N 7.801 130.412 122.820 -0.348 0.000 1.986 461 A HA -0.293 nan 4.320 nan 0.000 0.220 461 A C 1.570 178.951 177.584 -0.338 0.000 1.171 461 A CA 2.817 54.533 52.037 -0.535 0.000 0.640 461 A CB -0.604 17.736 19.000 -1.099 0.000 0.811 461 A HN 0.502 8.370 8.150 -0.470 0.000 0.451 462 A N -1.181 121.405 122.820 -0.389 0.000 1.908 462 A HA -0.198 nan 4.320 nan 0.000 0.218 462 A C 0.873 178.095 177.584 -0.603 0.000 1.181 462 A CA 2.681 54.392 52.037 -0.544 0.000 0.627 462 A CB -0.121 18.427 19.000 -0.754 0.000 0.818 462 A HN 0.039 7.933 8.150 -0.379 0.029 0.445 463 H N -4.328 114.708 119.070 -0.056 0.000 2.528 463 H HA 0.202 nan 4.556 nan 0.000 0.282 463 H C -1.358 173.965 175.328 -0.008 0.000 1.097 463 H CA -1.666 54.370 56.048 -0.020 0.000 1.121 463 H CB -0.217 29.543 29.762 -0.003 0.000 1.590 463 H HN -0.399 7.680 8.280 -0.174 0.096 0.553 464 A N 0.493 123.337 122.820 0.041 0.000 2.450 464 A HA -0.072 nan 4.320 nan 0.000 0.255 464 A C -0.951 176.708 177.584 0.124 0.000 1.096 464 A CA 0.421 52.497 52.037 0.065 0.000 0.778 464 A CB 0.642 19.615 19.000 -0.045 0.000 1.031 464 A HN -0.581 7.373 8.150 -0.040 0.172 0.494 465 L N 4.832 126.141 121.223 0.143 0.000 2.264 465 L HA 0.450 nan 4.340 nan 0.000 0.289 465 L C -2.446 174.542 176.870 0.197 0.000 1.044 465 L CA -3.292 51.628 54.840 0.134 0.000 0.807 465 L CB 1.753 43.843 42.059 0.051 0.000 1.192 465 L HN 0.536 8.824 8.230 0.096 0.000 0.425 466 P HA 0.106 nan 4.420 nan 0.000 0.276 466 P C -2.093 175.182 177.300 -0.043 0.000 1.243 466 P CA -0.127 62.998 63.100 0.042 0.000 0.768 466 P CB 0.034 31.781 31.700 0.078 0.000 0.856 467 V N 5.661 125.484 119.914 -0.151 0.000 2.733 467 V HA 0.239 nan 4.120 nan 0.000 0.306 467 V C -2.120 173.942 176.094 -0.053 0.000 1.084 467 V CA -1.721 60.564 62.300 -0.026 0.000 0.905 467 V CB 4.240 36.084 31.823 0.034 0.000 1.010 467 V HN 0.072 8.064 8.190 -0.330 0.000 0.424 468 E N 8.496 128.714 120.200 0.030 0.000 2.316 468 E HA 0.444 nan 4.350 nan 0.000 0.275 468 E C -1.613 175.050 176.600 0.106 0.000 1.029 468 E CA -0.772 55.634 56.400 0.011 0.000 0.871 468 E CB 1.874 31.578 29.700 0.006 0.000 1.022 468 E HN 0.178 8.582 8.360 0.072 0.000 0.418 469 I N 5.815 126.418 120.570 0.054 0.000 2.441 469 I HA 0.602 nan 4.170 nan 0.000 0.295 469 I C -1.426 174.722 176.117 0.052 0.000 0.994 469 I CA -1.255 60.127 61.300 0.137 0.000 1.144 469 I CB 2.451 40.524 38.000 0.121 0.000 1.314 469 I HN 0.637 8.725 8.210 -0.021 0.110 0.445 470 R N 5.355 125.882 120.500 0.044 0.000 2.320 470 R HA 0.551 nan 4.340 nan 0.000 0.319 470 R C -1.503 174.562 176.300 -0.392 0.000 0.969 470 R CA -1.504 54.454 56.100 -0.237 0.000 0.857 470 R CB 1.190 31.316 30.300 -0.290 0.000 1.160 470 R HN 1.077 9.349 8.270 0.178 0.104 0.491 471 L N 5.719 126.739 121.223 -0.338 0.000 2.261 471 L HA 0.228 nan 4.340 nan 0.000 0.289 471 L C -1.393 175.272 176.870 -0.341 0.000 1.059 471 L CA -0.803 53.896 54.840 -0.235 0.000 0.816 471 L CB 0.223 42.231 42.059 -0.085 0.000 1.191 471 L HN 0.157 8.224 8.230 -0.272 0.000 0.431 472 Y N 3.374 123.657 120.300 -0.028 0.000 2.334 472 Y HA 0.322 nan 4.550 nan 0.000 0.328 472 Y C -0.835 175.037 175.900 -0.045 0.000 1.130 472 Y CA -0.525 57.555 58.100 -0.033 0.000 1.163 472 Y CB 1.558 40.002 38.460 -0.027 0.000 1.207 472 Y HN 0.280 8.537 8.280 -0.038 0.000 0.471 473 D N 1.455 121.919 120.400 0.107 0.000 2.531 473 D HA 0.307 nan 4.640 nan 0.000 0.244 473 D C -1.259 175.040 176.300 -0.003 0.000 1.090 473 D CA -2.914 51.097 54.000 0.019 0.000 0.989 473 D CB 3.874 44.659 40.800 -0.025 0.000 1.433 473 D HN 0.524 8.857 8.370 0.133 0.117 0.492 474 R N 0.324 120.786 120.500 -0.064 0.000 2.585 474 R HA -0.044 nan 4.340 nan 0.000 0.275 474 R C -0.301 175.961 176.300 -0.064 0.000 1.018 474 R CA 0.492 56.552 56.100 -0.067 0.000 1.072 474 R CB -0.179 30.012 30.300 -0.181 0.000 0.953 474 R HN 0.260 8.472 8.270 -0.098 0.000 0.419 475 L N 1.096 122.282 121.223 -0.061 0.000 2.042 475 L HA -0.111 nan 4.340 nan 0.000 0.210 475 L C -0.183 176.421 176.870 -0.444 0.000 1.076 475 L CA 2.524 57.206 54.840 -0.263 0.000 0.749 475 L CB 0.680 42.540 42.059 -0.332 0.000 0.893 475 L HN 0.473 8.702 8.230 -0.001 0.000 0.432 476 F N -5.749 114.251 119.950 0.084 0.000 2.483 476 F HA 0.101 nan 4.527 nan 0.000 0.329 476 F C -0.732 175.150 175.800 0.136 0.000 1.064 476 F CA -0.499 57.569 58.000 0.114 0.000 0.986 476 F CB 2.373 41.469 39.000 0.160 0.000 1.218 476 F HN -0.910 7.545 8.300 0.258 0.000 0.484 477 S N -0.043 115.842 115.700 0.307 0.000 2.556 477 S HA 0.068 nan 4.470 nan 0.000 0.216 477 S C -0.334 174.455 174.600 0.314 0.000 0.970 477 S CA 0.532 58.863 58.200 0.218 0.000 0.912 477 S CB 0.815 64.085 63.200 0.117 0.000 0.790 477 S HN 0.419 8.928 8.310 0.331 0.000 0.504 478 V N -3.329 116.800 119.914 0.359 0.000 2.919 478 V HA 0.521 nan 4.120 nan 0.000 0.316 478 V C -2.750 173.378 176.094 0.055 0.000 1.077 478 V CA -3.952 58.478 62.300 0.217 0.000 0.977 478 V CB 0.427 32.311 31.823 0.101 0.000 1.039 478 V HN -0.644 7.731 8.190 0.403 0.056 0.441 479 P HA 0.093 nan 4.420 nan 0.000 0.227 479 P C -1.214 175.859 177.300 -0.379 0.000 1.161 479 P CA 1.270 63.907 63.100 -0.772 0.000 0.788 479 P CB 0.867 32.185 31.700 -0.638 0.000 0.822 480 N N -2.798 115.775 118.700 -0.212 0.000 2.765 480 N HA 0.306 nan 4.740 nan 0.000 0.277 480 N C -1.372 174.038 175.510 -0.166 0.000 1.750 480 N CA -3.290 49.655 53.050 -0.175 0.000 0.827 480 N CB -0.918 37.485 38.487 -0.139 0.000 1.200 480 N HN -0.056 8.195 8.380 -0.164 0.031 0.494 481 P HA -0.109 nan 4.420 nan 0.000 0.226 481 P C 0.988 178.131 177.300 -0.262 0.000 1.146 481 P CA 1.271 64.198 63.100 -0.289 0.000 0.773 481 P CB 0.138 31.359 31.700 -0.798 0.000 0.772 482 G N -1.317 107.322 108.800 -0.268 0.000 2.403 482 G HA2 -0.166 nan 3.960 nan 0.000 0.216 482 G HA3 -0.166 nan 3.960 nan 0.000 0.216 482 G C -0.241 174.562 174.900 -0.162 0.000 1.154 482 G CA 0.881 45.831 45.100 -0.251 0.000 0.784 482 G HN -0.321 7.835 8.290 -0.258 -0.021 0.538 483 A N 0.434 123.180 122.820 -0.123 0.000 2.412 483 A HA 0.153 nan 4.320 nan 0.000 0.253 483 A C -1.139 176.414 177.584 -0.051 0.000 1.334 483 A CA -0.731 51.256 52.037 -0.083 0.000 0.929 483 A CB -0.929 18.026 19.000 -0.076 0.000 0.983 483 A HN -0.554 7.764 8.150 -0.133 -0.248 0.508 484 A N -0.778 122.021 122.820 -0.036 0.000 2.312 484 A HA 0.259 nan 4.320 nan 0.000 0.328 484 A C 0.176 177.778 177.584 0.030 0.000 1.158 484 A CA -1.197 50.844 52.037 0.005 0.000 0.821 484 A CB 1.476 20.494 19.000 0.029 0.000 1.170 484 A HN -0.808 7.200 8.150 -0.056 0.108 0.490 485 D N -0.166 120.252 120.400 0.030 0.000 2.149 485 D HA -0.214 nan 4.640 nan 0.000 0.198 485 D C -0.294 176.047 176.300 0.068 0.000 0.990 485 D CA 2.514 56.535 54.000 0.035 0.000 0.839 485 D CB 0.264 41.078 40.800 0.024 0.000 0.948 485 D HN 0.268 8.651 8.370 0.022 0.000 0.460 486 D N -2.513 117.938 120.400 0.085 0.000 2.478 486 D HA 0.069 nan 4.640 nan 0.000 0.240 486 D C -0.608 175.768 176.300 0.128 0.000 1.364 486 D CA -0.630 53.437 54.000 0.111 0.000 0.987 486 D CB 0.858 41.680 40.800 0.036 0.000 1.328 486 D HN -0.749 7.647 8.370 0.068 0.015 0.584 487 F N 1.817 121.760 119.950 -0.012 0.000 2.216 487 F HA -0.107 nan 4.527 nan 0.000 0.300 487 F C 0.547 176.435 175.800 0.146 0.000 1.085 487 F CA 0.960 58.952 58.000 -0.014 0.000 1.326 487 F CB -0.364 38.544 39.000 -0.153 0.000 1.027 487 F HN 0.222 8.928 8.300 0.677 0.000 0.497 488 L N -0.205 120.615 121.223 -0.671 0.000 2.046 488 L HA -0.400 nan 4.340 nan 0.000 0.208 488 L C 2.065 178.791 176.870 -0.240 0.000 1.077 488 L CA 3.040 57.550 54.840 -0.549 0.000 0.747 488 L CB -1.130 40.591 42.059 -0.565 0.000 0.896 488 L HN -0.478 7.447 8.230 -0.758 -0.150 0.432 489 S N -3.960 111.655 115.700 -0.140 0.000 2.537 489 S HA -0.254 nan 4.470 nan 0.000 0.240 489 S C 0.912 175.502 174.600 -0.017 0.000 0.981 489 S CA 1.895 60.050 58.200 -0.076 0.000 0.948 489 S CB -0.160 63.016 63.200 -0.041 0.000 0.759 489 S HN -0.470 8.028 8.310 -0.134 -0.268 0.531 490 V N 1.368 121.314 119.914 0.053 0.000 3.271 490 V HA 0.166 nan 4.120 nan 0.000 0.327 490 V C -1.504 174.714 176.094 0.207 0.000 1.389 490 V CA -1.403 60.980 62.300 0.138 0.000 1.156 490 V CB 0.362 32.288 31.823 0.172 0.000 1.103 490 V HN -0.557 7.468 8.190 0.056 0.199 0.453 491 I N 1.005 121.597 120.570 0.038 0.000 2.634 491 I HA -0.187 nan 4.170 nan 0.000 0.284 491 I C -0.986 175.053 176.117 -0.130 0.000 1.124 491 I CA 0.938 62.129 61.300 -0.181 0.000 1.417 491 I CB 0.349 38.160 38.000 -0.315 0.000 1.396 491 I HN -0.418 7.699 8.210 -0.027 0.076 0.571 492 N N 7.203 125.801 118.700 -0.169 0.000 2.411 492 N HA 0.146 nan 4.740 nan 0.000 0.259 492 N C -0.049 175.400 175.510 -0.101 0.000 1.103 492 N CA -2.435 50.557 53.050 -0.096 0.000 0.954 492 N CB 1.012 39.447 38.487 -0.087 0.000 1.085 492 N HN 0.513 8.609 8.380 -0.293 0.108 0.485 493 P HA -0.101 nan 4.420 nan 0.000 0.226 493 P C 0.018 177.286 177.300 -0.054 0.000 1.153 493 P CA 1.297 64.358 63.100 -0.064 0.000 0.777 493 P CB 0.398 32.068 31.700 -0.050 0.000 0.794 494 E N -1.683 118.486 120.200 -0.051 0.000 2.411 494 E HA 0.155 nan 4.350 nan 0.000 0.204 494 E C -0.218 176.355 176.600 -0.045 0.000 1.059 494 E CA -0.962 55.410 56.400 -0.045 0.000 1.112 494 E CB -0.787 28.890 29.700 -0.039 0.000 1.168 494 E HN -0.073 8.586 8.360 -0.052 -0.330 0.445 495 S N -1.530 114.142 115.700 -0.046 0.000 2.428 495 S HA -0.173 nan 4.470 nan 0.000 0.230 495 S C -0.305 174.319 174.600 0.039 0.000 1.014 495 S CA 2.184 60.371 58.200 -0.020 0.000 0.957 495 S CB 0.716 63.881 63.200 -0.058 0.000 0.784 495 S HN -0.475 7.714 8.310 -0.059 0.085 0.499 496 L N -0.821 120.398 121.223 -0.007 0.000 2.491 496 L HA 0.467 nan 4.340 nan 0.000 0.267 496 L C -2.145 174.657 176.870 -0.114 0.000 0.971 496 L CA 0.104 54.899 54.840 -0.075 0.000 0.857 496 L CB 2.259 44.323 42.059 0.009 0.000 1.226 496 L HN -0.803 7.384 8.230 -0.026 0.027 0.408 497 V N 9.528 129.347 119.914 -0.157 0.000 2.376 497 V HA 0.475 nan 4.120 nan 0.000 0.287 497 V C -1.859 174.155 176.094 -0.133 0.000 1.015 497 V CA -1.757 60.475 62.300 -0.113 0.000 0.834 497 V CB 2.265 34.042 31.823 -0.076 0.000 1.001 497 V HN 0.925 8.988 8.190 -0.212 0.000 0.428 498 I N 9.385 129.887 120.570 -0.113 0.000 2.416 498 I HA 0.322 nan 4.170 nan 0.000 0.288 498 I C -0.291 175.776 176.117 -0.083 0.000 1.051 498 I CA 0.391 61.629 61.300 -0.103 0.000 1.375 498 I CB 0.313 38.257 38.000 -0.092 0.000 1.407 498 I HN 0.303 8.455 8.210 -0.097 0.000 0.516 499 K N 6.990 127.343 120.400 -0.078 0.000 2.350 499 K HA 0.527 nan 4.320 nan 0.000 0.241 499 K C -1.663 174.863 176.600 -0.124 0.000 0.994 499 K CA -2.856 53.376 56.287 -0.092 0.000 0.839 499 K CB 2.964 35.418 32.500 -0.077 0.000 1.244 499 K HN 0.741 8.950 8.250 -0.069 0.000 0.443 500 Q N -0.677 119.013 119.800 -0.184 0.000 2.330 500 Q HA 0.609 nan 4.340 nan 0.000 0.269 500 Q C -0.813 174.928 176.000 -0.430 0.000 1.022 500 Q CA -0.892 54.745 55.803 -0.276 0.000 0.796 500 Q CB 2.850 31.431 28.738 -0.263 0.000 1.271 500 Q HN 0.299 8.462 8.270 -0.177 0.000 0.450 501 G N 0.439 108.898 108.800 -0.569 0.000 2.976 501 G HA2 0.643 nan 3.960 nan 0.000 0.276 501 G HA3 0.643 nan 3.960 nan 0.000 0.276 501 G C -2.771 171.456 174.900 -1.122 0.000 1.207 501 G CA -0.222 44.423 45.100 -0.758 0.000 0.803 501 G HN 0.189 8.192 8.290 -0.479 0.000 0.572 502 F N -2.446 117.287 119.950 -0.361 0.000 2.588 502 F HA 0.708 nan 4.527 nan 0.000 0.310 502 F C -2.256 173.337 175.800 -0.344 0.000 1.082 502 F CA -1.479 56.323 58.000 -0.329 0.000 0.929 502 F CB 4.930 43.696 39.000 -0.391 0.000 1.254 502 F HN 0.148 8.220 8.300 -0.381 0.000 0.455 503 A N -0.038 122.701 122.820 -0.134 0.000 2.454 503 A HA 0.914 nan 4.320 nan 0.000 0.302 503 A C -2.081 175.371 177.584 -0.221 0.000 1.079 503 A CA -1.929 49.897 52.037 -0.352 0.000 0.731 503 A CB 3.316 21.979 19.000 -0.562 0.000 1.299 503 A HN 0.830 8.973 8.150 -0.012 0.000 0.413 504 E N 0.673 120.693 120.200 -0.300 0.000 2.442 504 E HA 0.011 nan 4.350 nan 0.000 0.262 504 E C -0.629 175.887 176.600 -0.140 0.000 1.004 504 E CA -1.658 54.620 56.400 -0.203 0.000 0.928 504 E CB -1.071 28.469 29.700 -0.266 0.000 0.937 504 E HN 0.116 8.217 8.360 -0.431 0.000 0.446 505 P HA -0.213 nan 4.420 nan 0.000 0.222 505 P C 0.795 178.079 177.300 -0.026 0.000 1.142 505 P CA 2.240 65.331 63.100 -0.015 0.000 0.788 505 P CB -0.374 31.344 31.700 0.030 0.000 0.767 506 S N 0.187 115.850 115.700 -0.061 0.000 2.423 506 S HA -0.208 nan 4.470 nan 0.000 0.231 506 S C 1.916 176.490 174.600 -0.044 0.000 1.014 506 S CA 2.754 60.932 58.200 -0.038 0.000 0.965 506 S CB -0.358 62.817 63.200 -0.042 0.000 0.785 506 S HN -0.533 7.662 8.310 -0.092 0.059 0.495 507 L N 1.045 122.190 121.223 -0.130 0.000 2.642 507 L HA -0.136 nan 4.340 nan 0.000 0.236 507 L C 1.576 178.485 176.870 0.065 0.000 1.169 507 L CA 0.126 54.888 54.840 -0.129 0.000 0.851 507 L CB -1.931 39.966 42.059 -0.270 0.000 0.968 507 L HN -0.172 7.934 8.230 -0.174 0.019 0.453 508 K N 0.216 120.648 120.400 0.054 0.000 2.283 508 K HA -0.212 nan 4.320 nan 0.000 0.202 508 K C 0.508 177.171 176.600 0.105 0.000 1.048 508 K CA 1.991 58.328 56.287 0.085 0.000 0.948 508 K CB 0.086 32.623 32.500 0.061 0.000 0.742 508 K HN -0.513 7.527 8.250 0.016 0.220 0.458 509 D N -1.721 118.751 120.400 0.119 0.000 2.525 509 D HA 0.118 nan 4.640 nan 0.000 0.229 509 D C -1.066 175.366 176.300 0.219 0.000 1.202 509 D CA -0.078 54.008 54.000 0.143 0.000 0.828 509 D CB -0.203 40.671 40.800 0.122 0.000 1.008 509 D HN -0.261 8.023 8.370 0.103 0.149 0.493 510 A N 0.732 123.719 122.820 0.280 0.000 2.340 510 A HA 0.091 nan 4.320 nan 0.000 0.268 510 A C -0.858 176.869 177.584 0.239 0.000 1.100 510 A CA 0.041 52.338 52.037 0.432 0.000 0.803 510 A CB 1.419 20.808 19.000 0.649 0.000 1.043 510 A HN -0.747 7.472 8.150 0.235 0.072 0.488 511 V N -4.808 115.224 119.914 0.197 0.000 2.769 511 V HA 0.230 nan 4.120 nan 0.000 0.312 511 V C -0.190 175.943 176.094 0.065 0.000 1.058 511 V CA -2.513 59.846 62.300 0.097 0.000 0.952 511 V CB 2.590 34.455 31.823 0.070 0.000 1.019 511 V HN -0.254 8.073 8.190 0.229 0.000 0.445 512 A N 1.641 124.478 122.820 0.028 0.000 2.567 512 A HA -0.175 nan 4.320 nan 0.000 0.240 512 A C 0.906 178.505 177.584 0.024 0.000 1.053 512 A CA 0.899 52.939 52.037 0.005 0.000 0.755 512 A CB -0.140 18.857 19.000 -0.005 0.000 0.978 512 A HN 0.194 8.360 8.150 0.026 0.000 0.507 513 G N 1.704 110.519 108.800 0.025 0.000 2.353 513 G HA2 -0.443 nan 3.960 nan 0.000 0.294 513 G HA3 -0.443 nan 3.960 nan 0.000 0.294 513 G C -1.228 173.690 174.900 0.030 0.000 1.077 513 G CA 0.314 45.441 45.100 0.043 0.000 1.098 513 G HN 0.092 8.389 8.290 0.013 0.000 0.511 514 K N 0.389 120.791 120.400 0.003 0.000 2.690 514 K HA 0.137 nan 4.320 nan 0.000 0.243 514 K C -1.562 174.936 176.600 -0.169 0.000 0.982 514 K CA -1.402 54.822 56.287 -0.105 0.000 0.955 514 K CB 1.903 34.314 32.500 -0.148 0.000 1.185 514 K HN -0.172 8.102 8.250 0.041 0.000 0.467 515 A N 5.996 128.745 122.820 -0.119 0.000 2.511 515 A HA 0.286 nan 4.320 nan 0.000 0.242 515 A C -1.183 176.329 177.584 -0.120 0.000 1.069 515 A CA 0.696 52.710 52.037 -0.038 0.000 0.763 515 A CB 0.388 19.373 19.000 -0.025 0.000 1.001 515 A HN 0.349 8.442 8.150 -0.095 0.000 0.498 516 F N 1.379 121.440 119.950 0.185 0.000 2.561 516 F HA 0.350 nan 4.527 nan 0.000 0.321 516 F C -1.586 174.327 175.800 0.188 0.000 1.065 516 F CA -0.771 57.350 58.000 0.203 0.000 0.934 516 F CB 5.053 44.217 39.000 0.273 0.000 1.215 516 F HN 0.576 9.083 8.300 0.345 0.000 0.471 517 Q N 1.991 122.030 119.800 0.398 0.000 2.394 517 Q HA 0.438 nan 4.340 nan 0.000 0.259 517 Q C -1.088 175.037 176.000 0.208 0.000 1.021 517 Q CA -1.740 54.150 55.803 0.144 0.000 0.805 517 Q CB 2.079 30.806 28.738 -0.017 0.000 1.226 517 Q HN 0.213 8.736 8.270 0.422 0.000 0.476 518 F N 6.283 126.186 119.950 -0.078 0.000 2.466 518 F HA 0.118 nan 4.527 nan 0.000 0.363 518 F C 0.005 175.617 175.800 -0.313 0.000 1.109 518 F CA -2.928 54.877 58.000 -0.325 0.000 1.161 518 F CB -0.888 37.703 39.000 -0.682 0.000 1.117 518 F HN 0.625 9.049 8.300 0.207 0.000 0.539 519 E N 5.666 125.776 120.200 -0.151 0.000 2.529 519 E HA -0.307 nan 4.350 nan 0.000 0.259 519 E C -0.218 176.231 176.600 -0.251 0.000 0.966 519 E CA 1.898 58.186 56.400 -0.187 0.000 0.937 519 E CB -0.036 29.571 29.700 -0.155 0.000 0.923 519 E HN -0.416 7.849 8.360 -0.158 0.000 0.468 520 R N 0.392 120.807 120.500 -0.142 0.000 3.994 520 R HA -0.306 nan 4.340 nan 0.000 0.403 520 R C -0.705 175.553 176.300 -0.070 0.000 1.126 520 R CA 2.124 58.175 56.100 -0.081 0.000 1.143 520 R CB -1.771 28.530 30.300 0.001 0.000 1.695 520 R HN 0.738 8.934 8.270 -0.123 0.000 0.555 521 E N -2.846 117.310 120.200 -0.073 0.000 2.949 521 E HA 0.399 nan 4.350 nan 0.000 0.182 521 E C -0.792 175.877 176.600 0.115 0.000 1.154 521 E CA 0.049 56.489 56.400 0.065 0.000 1.205 521 E CB 2.408 32.166 29.700 0.096 0.000 1.865 521 E HN -0.219 8.005 8.360 -0.106 0.072 0.516 522 G N -4.189 104.741 108.800 0.217 0.000 2.341 522 G HA2 0.261 nan 3.960 nan 0.000 0.299 522 G HA3 0.261 nan 3.960 nan 0.000 0.299 522 G C -2.893 171.930 174.900 -0.128 0.000 1.274 522 G CA 0.557 45.605 45.100 -0.085 0.000 0.853 522 G HN -0.570 7.941 8.290 0.369 0.000 0.493 523 Y N -1.806 118.440 120.300 -0.090 0.000 2.313 523 Y HA 0.575 nan 4.550 nan 0.000 0.332 523 Y C -0.735 174.990 175.900 -0.292 0.000 1.071 523 Y CA -0.316 57.748 58.100 -0.060 0.000 1.169 523 Y CB 1.122 39.523 38.460 -0.099 0.000 1.192 523 Y HN -0.122 8.091 8.280 -0.111 0.000 0.487 524 F N 1.524 121.357 119.950 -0.194 0.000 2.611 524 F HA 0.761 nan 4.527 nan 0.000 0.324 524 F C -1.802 174.056 175.800 0.097 0.000 1.061 524 F CA -1.944 55.936 58.000 -0.200 0.000 0.954 524 F CB 4.682 43.205 39.000 -0.795 0.000 1.301 524 F HN 0.749 9.063 8.300 0.208 0.110 0.482 525 C N -2.870 116.664 119.300 0.389 0.000 2.985 525 C HA 0.613 nan 4.460 nan 0.000 0.314 525 C C -1.985 173.055 174.990 0.083 0.000 1.215 525 C CA -2.922 56.279 59.018 0.306 0.000 1.414 525 C CB 3.390 31.216 27.740 0.145 0.000 1.842 525 C HN 0.939 9.386 8.230 0.362 0.000 0.477 526 L N 1.083 122.214 121.223 -0.154 0.000 2.462 526 L HA 0.087 nan 4.340 nan 0.000 0.272 526 L C -0.966 175.803 176.870 -0.169 0.000 1.166 526 L CA 0.708 55.275 54.840 -0.455 0.000 0.880 526 L CB 0.766 42.611 42.059 -0.356 0.000 1.142 526 L HN 0.591 8.843 8.230 0.036 0.000 0.473 527 D N 6.024 126.342 120.400 -0.136 0.000 2.316 527 D HA 0.145 nan 4.640 nan 0.000 0.245 527 D C 0.270 176.534 176.300 -0.060 0.000 1.171 527 D CA -0.130 53.844 54.000 -0.043 0.000 0.856 527 D CB 1.396 42.221 40.800 0.041 0.000 1.090 527 D HN 0.273 8.522 8.370 -0.201 0.000 0.476 528 S N 7.470 123.132 115.700 -0.063 0.000 2.368 528 S HA -0.291 nan 4.470 nan 0.000 0.225 528 S C 0.854 175.410 174.600 -0.074 0.000 1.030 528 S CA 2.620 60.787 58.200 -0.055 0.000 0.999 528 S CB 0.000 63.172 63.200 -0.047 0.000 0.844 528 S HN 0.509 8.783 8.310 -0.059 0.000 0.459 529 R N -0.897 119.513 120.500 -0.149 0.000 2.159 529 R HA -0.140 nan 4.340 nan 0.000 0.237 529 R C 0.817 176.953 176.300 -0.273 0.000 1.131 529 R CA 1.859 57.795 56.100 -0.272 0.000 0.982 529 R CB -0.295 29.717 30.300 -0.480 0.000 0.868 529 R HN 0.039 8.236 8.270 -0.149 -0.017 0.453 530 H N -5.069 114.004 119.070 0.005 0.000 3.091 530 H HA 0.189 nan 4.556 nan 0.000 0.249 530 H C 0.210 175.538 175.328 -0.000 0.000 0.985 530 H CA -0.199 55.853 56.048 0.007 0.000 1.177 530 H CB 1.760 31.534 29.762 0.019 0.000 1.456 530 H HN -0.217 8.161 8.280 -0.050 -0.128 0.467 531 S N 0.776 116.534 115.700 0.096 0.000 2.573 531 S HA -0.095 nan 4.470 nan 0.000 0.277 531 S C -0.874 173.751 174.600 0.042 0.000 1.346 531 S CA 2.107 60.332 58.200 0.041 0.000 1.034 531 S CB 0.627 63.811 63.200 -0.027 0.000 0.879 531 S HN -0.426 7.921 8.310 0.062 0.000 0.528 532 T N 0.243 114.820 114.554 0.038 0.000 2.590 532 T HA 0.229 nan 4.350 nan 0.000 0.282 532 T C -0.394 174.329 174.700 0.038 0.000 0.989 532 T CA -0.672 61.450 62.100 0.037 0.000 1.091 532 T CB 1.234 70.125 68.868 0.037 0.000 1.460 532 T HN -0.051 8.212 8.240 0.038 0.000 0.499 533 A N 0.399 123.242 122.820 0.038 0.000 1.825 533 A HA -0.081 nan 4.320 nan 0.000 0.214 533 A C 1.207 178.820 177.584 0.047 0.000 1.206 533 A CA 1.926 53.988 52.037 0.041 0.000 0.609 533 A CB -0.273 18.749 19.000 0.037 0.000 0.851 533 A HN 0.461 8.632 8.150 0.035 0.000 0.445 534 E N -0.631 119.595 120.200 0.044 0.000 2.076 534 E HA -0.107 nan 4.350 nan 0.000 0.190 534 E C 0.421 177.052 176.600 0.052 0.000 0.979 534 E CA 0.534 56.963 56.400 0.048 0.000 0.807 534 E CB 0.372 30.097 29.700 0.041 0.000 0.761 534 E HN 0.206 8.589 8.360 0.038 0.000 0.454 535 K N 0.293 120.719 120.400 0.044 0.000 2.300 535 K HA 0.391 nan 4.320 nan 0.000 0.264 535 K C -2.699 173.936 176.600 0.058 0.000 1.083 535 K CA -3.079 53.234 56.287 0.043 0.000 0.958 535 K CB 0.730 33.244 32.500 0.023 0.000 1.318 535 K HN -0.782 7.492 8.250 0.039 0.000 0.448 536 P HA 0.333 nan 4.420 nan 0.000 0.279 536 P C -2.055 175.316 177.300 0.118 0.000 1.252 536 P CA -0.814 62.340 63.100 0.091 0.000 0.811 536 P CB 1.200 33.021 31.700 0.200 0.000 1.035 537 V N 0.009 119.945 119.914 0.036 0.000 2.483 537 V HA 0.636 nan 4.120 nan 0.000 0.297 537 V C -1.365 174.745 176.094 0.027 0.000 1.027 537 V CA -0.561 61.802 62.300 0.105 0.000 0.855 537 V CB 2.366 34.261 31.823 0.121 0.000 0.995 537 V HN 0.555 8.700 8.190 -0.075 0.000 0.424 538 F N 7.110 127.156 119.950 0.161 0.000 2.444 538 F HA 0.539 nan 4.527 nan 0.000 0.342 538 F C -1.387 174.558 175.800 0.241 0.000 1.121 538 F CA -1.829 56.303 58.000 0.220 0.000 0.997 538 F CB 3.139 42.305 39.000 0.276 0.000 1.130 538 F HN 1.152 9.619 8.300 0.455 0.106 0.454 539 N N 3.470 122.390 118.700 0.367 0.000 2.498 539 N HA 0.530 nan 4.740 nan 0.000 0.287 539 N C -1.637 174.004 175.510 0.218 0.000 1.097 539 N CA -0.386 52.885 53.050 0.368 0.000 0.973 539 N CB 1.800 40.513 38.487 0.377 0.000 1.153 539 N HN 0.710 9.258 8.380 0.280 0.000 0.472 540 R N 3.775 124.303 120.500 0.047 0.000 2.205 540 R HA 0.278 nan 4.340 nan 0.000 0.342 540 R C 0.769 176.940 176.300 -0.214 0.000 1.058 540 R CA -0.529 55.254 56.100 -0.529 0.000 0.904 540 R CB 0.404 30.271 30.300 -0.721 0.000 1.089 540 R HN 0.201 8.563 8.270 0.153 0.000 0.471 541 T N 7.794 122.214 114.554 -0.224 0.000 2.622 541 T HA -0.249 nan 4.350 nan 0.000 0.266 541 T C -0.532 174.115 174.700 -0.088 0.000 1.047 541 T CA 4.521 66.565 62.100 -0.094 0.000 1.159 541 T CB 0.190 68.984 68.868 -0.123 0.000 0.863 541 T HN 0.080 8.134 8.240 -0.309 0.000 0.422 542 V N -0.638 119.196 119.914 -0.133 0.000 3.077 542 V HA 0.323 nan 4.120 nan 0.000 0.299 542 V C -2.056 173.999 176.094 -0.065 0.000 1.276 542 V CA -1.091 61.175 62.300 -0.057 0.000 0.993 542 V CB 3.218 35.024 31.823 -0.029 0.000 1.076 542 V HN -0.797 7.282 8.190 -0.184 0.000 0.434 543 G N 2.532 111.306 108.800 -0.044 0.000 2.562 543 G HA2 0.472 nan 3.960 nan 0.000 0.275 543 G HA3 0.472 nan 3.960 nan 0.000 0.275 543 G C -1.427 173.477 174.900 0.007 0.000 1.196 543 G CA -1.237 43.839 45.100 -0.039 0.000 0.908 543 G HN -0.034 8.242 8.290 -0.023 0.000 0.524 544 L N -0.840 120.373 121.223 -0.017 0.000 2.456 544 L HA 0.083 nan 4.340 nan 0.000 0.257 544 L C 0.782 177.667 176.870 0.025 0.000 1.162 544 L CA -1.278 53.558 54.840 -0.006 0.000 0.808 544 L CB 1.451 43.479 42.059 -0.051 0.000 1.136 544 L HN -0.248 7.968 8.230 -0.024 0.000 0.466 545 R N 1.445 121.968 120.500 0.039 0.000 2.488 545 R HA -0.182 nan 4.340 nan 0.000 0.306 545 R C -0.449 175.868 176.300 0.028 0.000 1.271 545 R CA 0.439 56.562 56.100 0.039 0.000 1.022 545 R CB -0.460 29.867 30.300 0.045 0.000 1.054 545 R HN 0.259 8.558 8.270 0.048 0.000 0.500 546 D N 8.152 128.568 120.400 0.027 0.000 2.508 546 D HA 0.015 nan 4.640 nan 0.000 0.224 546 D C -0.258 176.058 176.300 0.027 0.000 1.171 546 D CA -0.294 53.721 54.000 0.025 0.000 1.006 546 D CB -0.276 40.540 40.800 0.026 0.000 1.073 546 D HN -0.177 8.209 8.370 0.028 0.000 0.513 547 T N 0.000 114.569 114.554 0.025 0.000 3.816 547 T HA 0.000 nan 4.350 nan 0.000 0.228 547 T CA 0.000 62.115 62.100 0.026 0.000 1.349 547 T CB 0.000 68.883 68.868 0.025 0.000 0.612 547 T HN 0.000 8.254 8.240 0.023 0.000 0.658