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 2re8_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 LRTLEFQDNR 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 0.000 174.696 174.700 -0.007 0.000 1.109 8 T CA 0.000 62.094 62.100 -0.011 0.000 1.349 8 T CB 0.000 68.869 68.868 0.001 0.000 0.612 9 N N 1.176 119.860 118.700 -0.026 0.000 2.732 9 N HA 0.504 5.243 4.740 -0.001 0.000 0.259 9 N C 0.806 176.315 175.510 -0.002 0.000 1.402 9 N CA -0.853 52.202 53.050 0.007 0.000 0.829 9 N CB 0.166 38.616 38.487 -0.061 0.000 1.495 9 N HN 0.497 nan 8.380 nan 0.000 0.511 10 F N -0.190 119.742 119.950 -0.031 0.000 2.087 10 F HA -0.043 4.483 4.527 -0.001 0.000 0.299 10 F C 1.407 177.153 175.800 -0.091 0.000 1.100 10 F CA 1.023 59.002 58.000 -0.035 0.000 1.226 10 F CB -0.858 38.142 39.000 0.000 0.000 0.983 10 F HN 0.419 nan 8.300 nan 0.000 0.479 11 I N 0.432 120.387 120.570 -1.025 0.000 2.226 11 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 11 I C 2.725 178.527 176.117 -0.524 0.000 1.100 11 I CA 1.584 62.371 61.300 -0.856 0.000 1.374 11 I CB -0.602 36.848 38.000 -0.917 0.000 1.057 11 I HN 0.110 nan 8.210 nan 0.000 0.413 12 R N 0.423 120.701 120.500 -0.369 0.000 2.115 12 R HA -0.141 4.199 4.340 -0.001 0.000 0.230 12 R C 2.330 178.551 176.300 -0.131 0.000 1.111 12 R CA 1.099 57.063 56.100 -0.227 0.000 0.976 12 R CB -0.136 30.117 30.300 -0.078 0.000 0.870 12 R HN 0.508 nan 8.270 nan 0.000 0.445 13 Q N 0.035 119.774 119.800 -0.102 0.000 2.172 13 Q HA -0.090 4.250 4.340 -0.001 0.000 0.200 13 Q C 2.058 178.025 176.000 -0.055 0.000 0.964 13 Q CA 1.027 56.809 55.803 -0.034 0.000 0.855 13 Q CB 0.033 28.777 28.738 0.011 0.000 0.918 13 Q HN 0.384 nan 8.270 nan 0.000 0.444 14 I N 0.698 121.191 120.570 -0.127 0.000 2.179 14 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 14 I C 2.205 178.247 176.117 -0.126 0.000 1.088 14 I CA 1.125 62.350 61.300 -0.125 0.000 1.357 14 I CB -0.189 37.643 38.000 -0.280 0.000 1.051 14 I HN 0.186 nan 8.210 nan 0.000 0.409 15 I N 0.700 121.104 120.570 -0.276 0.000 2.163 15 I HA -0.346 3.824 4.170 -0.001 0.000 0.243 15 I C 2.105 178.167 176.117 -0.093 0.000 1.085 15 I CA 1.457 62.559 61.300 -0.331 0.000 1.347 15 I CB -0.551 37.019 38.000 -0.717 0.000 1.044 15 I HN 0.272 nan 8.210 nan 0.000 0.408 16 D N 0.747 121.142 120.400 -0.009 0.000 2.123 16 D HA -0.199 4.440 4.640 -0.001 0.000 0.196 16 D C 2.080 178.415 176.300 0.057 0.000 0.992 16 D CA 1.345 55.396 54.000 0.085 0.000 0.833 16 D CB -0.294 40.553 40.800 0.078 0.000 0.954 16 D HN 0.455 nan 8.370 nan 0.000 0.455 17 E N 0.371 120.592 120.200 0.035 0.000 2.051 17 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 17 E C 1.643 178.277 176.600 0.057 0.000 0.991 17 E CA 1.003 57.428 56.400 0.042 0.000 0.799 17 E CB 0.039 29.762 29.700 0.038 0.000 0.748 17 E HN 0.205 nan 8.360 nan 0.000 0.449 18 D N 0.353 120.802 120.400 0.081 0.000 2.097 18 D HA -0.139 4.500 4.640 -0.001 0.000 0.195 18 D C 1.827 178.195 176.300 0.112 0.000 0.989 18 D CA 0.671 54.744 54.000 0.122 0.000 0.827 18 D CB -0.164 40.809 40.800 0.289 0.000 0.966 18 D HN 0.002 nan 8.370 nan 0.000 0.456 19 L N 0.931 122.225 121.223 0.119 0.000 1.976 19 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 19 L C 2.356 179.274 176.870 0.079 0.000 1.071 19 L CA 1.668 56.579 54.840 0.117 0.000 0.746 19 L CB -1.270 40.870 42.059 0.135 0.000 0.890 19 L HN -0.017 nan 8.230 nan 0.000 0.432 20 A N -0.603 122.255 122.820 0.065 0.000 1.869 20 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 20 A C 2.413 180.017 177.584 0.033 0.000 1.203 20 A CA 2.865 54.929 52.037 0.044 0.000 0.638 20 A CB -1.324 17.698 19.000 0.038 0.000 0.831 20 A HN 0.583 nan 8.150 nan 0.000 0.450 21 S N -1.455 114.262 115.700 0.029 0.000 2.537 21 S HA 0.251 4.720 4.470 -0.001 0.000 0.240 21 S C 1.586 176.190 174.600 0.006 0.000 0.981 21 S CA 1.337 59.546 58.200 0.014 0.000 0.948 21 S CB -0.759 62.446 63.200 0.009 0.000 0.759 21 S HN 2.175 nan 8.310 nan 0.000 0.531 22 G N 1.591 110.402 108.800 0.017 0.000 2.179 22 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.260 22 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.260 22 G C 0.694 175.580 174.900 -0.023 0.000 0.977 22 G CA 0.614 45.722 45.100 0.012 0.000 0.641 22 G HN 0.609 nan 8.290 nan 0.000 0.533 23 K N -0.440 119.919 120.400 -0.067 0.000 2.160 23 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 23 K C 0.739 177.120 176.600 -0.365 0.000 1.047 23 K CA 1.419 57.576 56.287 -0.216 0.000 0.930 23 K CB -0.091 32.256 32.500 -0.255 0.000 0.720 23 K HN 0.580 nan 8.250 nan 0.000 0.450 24 H N -2.207 116.891 119.070 0.048 0.000 2.894 24 H HA 0.141 4.696 4.556 -0.001 0.000 0.368 24 H C 0.238 175.600 175.328 0.057 0.000 1.181 24 H CA 0.068 56.150 56.048 0.057 0.000 1.146 24 H CB 2.187 32.008 29.762 0.098 0.000 1.839 24 H HN 0.106 nan 8.280 nan 0.000 0.557 25 T N -2.858 111.821 114.554 0.209 0.000 3.016 25 T HA 0.181 4.531 4.350 -0.001 0.000 0.271 25 T C 0.241 175.007 174.700 0.109 0.000 0.968 25 T CA 0.186 62.361 62.100 0.126 0.000 0.891 25 T CB 0.223 69.145 68.868 0.089 0.000 1.149 25 T HN 0.673 nan 8.240 nan 0.000 0.524 26 T N 0.012 114.634 114.554 0.114 0.000 2.942 26 T HA 0.639 4.988 4.350 -0.001 0.000 0.327 26 T C -0.852 173.866 174.700 0.030 0.000 1.360 26 T CA -0.592 61.547 62.100 0.066 0.000 1.055 26 T CB 1.691 70.585 68.868 0.044 0.000 1.261 26 T HN 0.656 nan 8.240 nan 0.000 0.485 27 V N 0.034 119.944 119.914 -0.008 0.000 2.472 27 V HA 0.769 4.888 4.120 -0.001 0.000 0.290 27 V C -0.779 175.315 176.094 0.000 0.000 1.037 27 V CA -0.503 61.768 62.300 -0.048 0.000 0.908 27 V CB 1.247 32.940 31.823 -0.217 0.000 0.985 27 V HN 1.129 nan 8.190 nan 0.000 0.454 28 H N 3.731 122.766 119.070 -0.059 0.000 3.078 28 H HA 0.603 5.158 4.556 -0.001 0.000 0.319 28 H C -0.116 175.178 175.328 -0.057 0.000 0.995 28 H CA 0.316 56.328 56.048 -0.060 0.000 1.417 28 H CB 1.517 31.244 29.762 -0.058 0.000 1.598 28 H HN 1.136 nan 8.280 nan 0.000 0.515 29 T N 1.845 116.497 114.554 0.164 0.000 2.922 29 T HA 0.741 5.091 4.350 -0.001 0.000 0.281 29 T C 0.097 174.794 174.700 -0.005 0.000 1.005 29 T CA -1.059 61.062 62.100 0.035 0.000 0.982 29 T CB 2.467 71.292 68.868 -0.072 0.000 1.158 29 T HN 0.598 nan 8.240 nan 0.000 0.566 30 R N 0.102 120.567 120.500 -0.059 0.000 2.643 30 R HA 0.480 4.819 4.340 -0.001 0.000 0.269 30 R C -2.451 173.827 176.300 -0.037 0.000 1.037 30 R CA -0.946 55.094 56.100 -0.099 0.000 0.894 30 R CB 1.109 31.355 30.300 -0.091 0.000 1.238 30 R HN 0.691 nan 8.270 nan 0.000 0.459 31 F N 5.309 125.121 119.950 -0.229 0.000 2.347 31 F HA 0.551 5.077 4.527 -0.000 0.000 0.366 31 F C -2.267 173.439 175.800 -0.156 0.000 1.107 31 F CA -2.674 55.254 58.000 -0.119 0.000 1.058 31 F CB 2.090 41.093 39.000 0.006 0.000 1.236 31 F HN 0.365 nan 8.300 nan 0.000 0.456 32 P HA 0.288 nan 4.420 nan 0.000 0.202 32 P C -3.023 173.941 177.300 -0.560 0.000 1.871 32 P CA -1.546 61.261 63.100 -0.489 0.000 1.068 32 P CB 0.613 32.237 31.700 -0.126 0.000 1.818 33 P HA 0.189 nan 4.420 nan 0.000 0.277 33 P C -0.147 176.971 177.300 -0.304 0.000 1.240 33 P CA -0.062 62.665 63.100 -0.622 0.000 0.798 33 P CB 1.563 32.802 31.700 -0.769 0.000 0.979 34 E N 2.841 122.938 120.200 -0.171 0.000 2.259 34 E HA 0.164 4.513 4.350 -0.001 0.000 0.281 34 E C -1.820 174.756 176.600 -0.041 0.000 1.027 34 E CA -2.344 54.037 56.400 -0.031 0.000 0.838 34 E CB 0.822 30.520 29.700 -0.003 0.000 1.066 34 E HN 0.282 nan 8.360 nan 0.000 0.401 35 P HA 0.071 nan 4.420 nan 0.000 0.225 35 P C -0.621 176.681 177.300 0.003 0.000 1.813 35 P CA -0.057 63.058 63.100 0.024 0.000 1.013 35 P CB -0.358 31.340 31.700 -0.003 0.000 1.961 36 N N 0.982 119.573 118.700 -0.181 0.000 2.200 36 N HA 0.244 4.983 4.740 -0.001 0.000 0.224 36 N C 0.344 175.382 175.510 -0.786 0.000 1.179 36 N CA -0.437 52.484 53.050 -0.214 0.000 0.877 36 N CB 0.944 39.392 38.487 -0.065 0.000 1.072 36 N HN 0.269 nan 8.380 nan 0.000 0.519 37 G N -0.520 107.359 108.800 -1.534 0.000 2.315 37 G HA2 0.254 4.214 3.960 -0.001 0.000 0.294 37 G HA3 0.254 4.214 3.960 -0.001 0.000 0.294 37 G C -1.986 172.105 174.900 -1.348 0.000 1.300 37 G CA -0.887 43.074 45.100 -1.898 0.000 0.843 37 G HN -0.021 nan 8.290 nan 0.000 0.527 38 Y N -0.833 118.490 120.300 -1.628 0.000 2.295 38 Y HA 0.642 5.191 4.550 -0.001 0.000 0.331 38 Y C 0.896 176.626 175.900 -0.284 0.000 1.311 38 Y CA -0.500 57.183 58.100 -0.696 0.000 1.430 38 Y CB 0.634 38.826 38.460 -0.446 0.000 1.339 38 Y HN 0.365 nan 8.280 nan 0.000 0.552 39 L N 1.839 123.104 121.223 0.071 0.000 2.375 39 L HA 0.238 4.578 4.340 -0.001 0.000 0.271 39 L C -0.072 177.048 176.870 0.417 0.000 1.107 39 L CA -0.442 54.524 54.840 0.209 0.000 0.806 39 L CB 0.304 42.464 42.059 0.168 0.000 1.146 39 L HN 0.740 nan 8.230 nan 0.000 0.447 40 H N 0.244 119.683 119.070 0.616 0.000 2.771 40 H HA 0.384 4.939 4.556 -0.001 0.000 0.344 40 H C 0.865 176.273 175.328 0.133 0.000 1.260 40 H CA -1.188 55.000 56.048 0.233 0.000 1.276 40 H CB 0.065 29.892 29.762 0.110 0.000 1.881 40 H HN 0.423 nan 8.280 nan 0.000 0.615 41 I N 0.611 121.346 120.570 0.274 0.000 2.399 41 I HA -0.140 4.030 4.170 -0.001 0.000 0.254 41 I C 2.089 178.327 176.117 0.201 0.000 1.146 41 I CA 2.157 63.560 61.300 0.172 0.000 1.412 41 I CB -0.799 37.224 38.000 0.037 0.000 1.076 41 I HN 0.879 nan 8.210 nan 0.000 0.432 42 G N -0.942 107.934 108.800 0.126 0.000 2.402 42 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.216 42 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.216 42 G C 1.431 176.497 174.900 0.277 0.000 1.162 42 G CA 1.111 46.257 45.100 0.078 0.000 0.777 42 G HN 0.577 nan 8.290 nan 0.000 0.539 43 H N 0.519 119.917 119.070 0.548 0.000 2.456 43 H HA 0.161 4.716 4.556 -0.001 0.000 0.296 43 H C 2.827 178.249 175.328 0.156 0.000 1.079 43 H CA 0.661 56.916 56.048 0.346 0.000 1.322 43 H CB 0.137 30.056 29.762 0.262 0.000 1.388 43 H HN 0.432 nan 8.280 nan 0.000 0.538 44 A N 1.298 124.274 122.820 0.261 0.000 1.930 44 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 44 A C 2.172 179.817 177.584 0.101 0.000 1.175 44 A CA 1.583 53.708 52.037 0.147 0.000 0.627 44 A CB -0.396 18.723 19.000 0.198 0.000 0.815 44 A HN 0.361 nan 8.150 nan 0.000 0.443 45 K N -0.353 120.137 120.400 0.149 0.000 2.057 45 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 45 K C 2.313 178.928 176.600 0.026 0.000 1.049 45 K CA 1.644 57.984 56.287 0.088 0.000 0.931 45 K CB -0.227 32.354 32.500 0.134 0.000 0.714 45 K HN 0.413 nan 8.250 nan 0.000 0.440 46 S N 0.447 116.238 115.700 0.151 0.000 2.368 46 S HA -0.069 4.400 4.470 -0.001 0.000 0.224 46 S C 1.917 176.501 174.600 -0.026 0.000 1.029 46 S CA 0.979 59.294 58.200 0.192 0.000 0.988 46 S CB -0.209 63.316 63.200 0.541 0.000 0.838 46 S HN 0.342 nan 8.310 nan 0.000 0.462 47 I N 0.928 121.344 120.570 -0.257 0.000 2.179 47 I HA -0.237 3.933 4.170 -0.001 0.000 0.242 47 I C 2.548 178.463 176.117 -0.336 0.000 1.088 47 I CA 1.109 62.160 61.300 -0.415 0.000 1.357 47 I CB -0.529 37.138 38.000 -0.555 0.000 1.051 47 I HN 0.418 nan 8.210 nan 0.000 0.409 48 C N 0.266 119.413 119.300 -0.256 0.000 2.413 48 C HA -0.180 4.279 4.460 -0.001 0.000 0.276 48 C C 2.714 177.576 174.990 -0.214 0.000 1.236 48 C CA 0.447 59.330 59.018 -0.226 0.000 1.735 48 C CB -0.987 26.755 27.740 0.004 0.000 2.031 48 C HN 0.487 nan 8.230 nan 0.000 0.474 49 L N 1.389 122.494 121.223 -0.197 0.000 1.971 49 L HA -0.197 4.142 4.340 -0.001 0.000 0.215 49 L C 2.379 179.127 176.870 -0.204 0.000 1.072 49 L CA 2.084 56.781 54.840 -0.238 0.000 0.758 49 L CB -0.886 40.942 42.059 -0.386 0.000 0.889 49 L HN 0.472 nan 8.230 nan 0.000 0.433 50 N N -0.435 118.162 118.700 -0.172 0.000 2.106 50 N HA -0.184 4.556 4.740 -0.001 0.000 0.188 50 N C 1.792 177.142 175.510 -0.267 0.000 1.029 50 N CA 1.588 54.525 53.050 -0.189 0.000 0.848 50 N CB -0.353 38.050 38.487 -0.140 0.000 1.007 50 N HN 0.307 nan 8.380 nan 0.000 0.423 51 F N 0.979 120.713 119.950 -0.360 0.000 2.234 51 F HA 0.095 4.621 4.527 -0.001 0.000 0.296 51 F C 2.573 178.215 175.800 -0.264 0.000 1.089 51 F CA 0.761 58.530 58.000 -0.385 0.000 1.343 51 F CB -0.682 37.807 39.000 -0.851 0.000 1.040 51 F HN 0.046 nan 8.300 nan 0.000 0.498 52 G N 0.450 109.177 108.800 -0.120 0.000 2.418 52 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 52 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 52 G C 1.763 176.694 174.900 0.052 0.000 1.158 52 G CA 0.959 46.078 45.100 0.032 0.000 0.771 52 G HN 0.337 nan 8.290 nan 0.000 0.545 53 I N 1.252 121.811 120.570 -0.018 0.000 2.315 53 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 53 I C 3.292 179.449 176.117 0.068 0.000 1.117 53 I CA 0.812 62.117 61.300 0.008 0.000 1.404 53 I CB -0.207 37.683 38.000 -0.183 0.000 1.071 53 I HN 0.258 nan 8.210 nan 0.000 0.419 54 A N 1.312 124.131 122.820 -0.002 0.000 1.865 54 A HA -0.296 4.023 4.320 -0.001 0.000 0.217 54 A C 2.275 179.912 177.584 0.088 0.000 1.191 54 A CA 2.181 54.226 52.037 0.013 0.000 0.623 54 A CB -0.902 18.081 19.000 -0.028 0.000 0.826 54 A HN 0.638 nan 8.150 nan 0.000 0.444 55 Q N -1.120 118.754 119.800 0.124 0.000 2.172 55 Q HA -0.159 4.180 4.340 -0.001 0.000 0.200 55 Q C 1.013 177.065 176.000 0.087 0.000 0.964 55 Q CA 1.456 57.331 55.803 0.119 0.000 0.855 55 Q CB -0.488 28.348 28.738 0.162 0.000 0.918 55 Q HN 0.472 nan 8.270 nan 0.000 0.444 56 D N 0.101 120.563 120.400 0.104 0.000 2.219 56 D HA -0.113 4.526 4.640 -0.001 0.000 0.205 56 D C 0.427 176.664 176.300 -0.106 0.000 0.970 56 D CA 1.014 55.019 54.000 0.009 0.000 0.851 56 D CB 0.041 40.853 40.800 0.022 0.000 0.943 56 D HN 0.407 nan 8.370 nan 0.000 0.488 57 Y N 0.119 120.397 120.300 -0.038 0.000 2.584 57 Y HA 0.172 4.722 4.550 -0.000 0.000 0.254 57 Y C 0.327 176.207 175.900 -0.033 0.000 1.177 57 Y CA -0.439 57.635 58.100 -0.043 0.000 1.216 57 Y CB 0.435 38.856 38.460 -0.064 0.000 1.172 57 Y HN -0.291 nan 8.280 nan 0.000 0.529 58 K N -0.433 120.018 120.400 0.085 0.000 3.129 58 K HA -0.169 4.150 4.320 -0.001 0.000 0.273 58 K C 0.466 177.085 176.600 0.032 0.000 1.123 58 K CA 0.778 57.090 56.287 0.042 0.000 0.800 58 K CB -1.839 30.675 32.500 0.023 0.000 1.238 58 K HN 0.576 nan 8.250 nan 0.000 0.492 59 G N -0.226 108.593 108.800 0.032 0.000 2.782 59 G HA2 0.559 4.519 3.960 -0.001 0.000 0.201 59 G HA3 0.559 4.519 3.960 -0.001 0.000 0.201 59 G C -0.613 174.216 174.900 -0.119 0.000 1.374 59 G CA -0.343 44.732 45.100 -0.042 0.000 1.039 59 G HN 0.060 nan 8.290 nan 0.000 0.576 60 Q N -1.388 118.252 119.800 -0.267 0.000 2.347 60 Q HA 0.438 4.777 4.340 -0.001 0.000 0.271 60 Q C -1.570 174.277 176.000 -0.256 0.000 1.064 60 Q CA -0.481 55.097 55.803 -0.376 0.000 0.800 60 Q CB 1.966 30.210 28.738 -0.823 0.000 1.304 60 Q HN 0.492 nan 8.270 nan 0.000 0.438 61 C N 3.311 122.533 119.300 -0.130 0.000 2.346 61 C HA 0.560 5.020 4.460 -0.001 0.000 0.326 61 C C -0.807 174.117 174.990 -0.111 0.000 1.224 61 C CA -0.509 58.378 59.018 -0.219 0.000 1.408 61 C CB 0.010 27.361 27.740 -0.648 0.000 2.089 61 C HN 0.697 nan 8.230 nan 0.000 0.456 62 N N 3.319 122.008 118.700 -0.018 0.000 2.508 62 N HA 0.523 5.262 4.740 -0.001 0.000 0.285 62 N C -0.794 174.675 175.510 -0.069 0.000 1.144 62 N CA -0.454 52.626 53.050 0.049 0.000 0.978 62 N CB 1.388 39.908 38.487 0.055 0.000 1.180 62 N HN 0.670 nan 8.380 nan 0.000 0.484 63 L N 1.356 122.524 121.223 -0.092 0.000 2.276 63 L HA 0.448 4.787 4.340 -0.001 0.000 0.286 63 L C -0.247 176.333 176.870 -0.483 0.000 1.024 63 L CA -0.319 54.337 54.840 -0.307 0.000 0.826 63 L CB 0.124 41.772 42.059 -0.686 0.000 1.211 63 L HN 0.507 nan 8.230 nan 0.000 0.422 64 R N 4.406 124.606 120.500 -0.499 0.000 2.480 64 R HA 0.473 4.812 4.340 -0.001 0.000 0.306 64 R C -1.531 174.406 176.300 -0.605 0.000 0.958 64 R CA -0.558 55.260 56.100 -0.470 0.000 0.861 64 R CB 0.909 31.044 30.300 -0.275 0.000 1.171 64 R HN 0.489 nan 8.270 nan 0.000 0.445 65 F N 2.925 122.625 119.950 -0.417 0.000 2.413 65 F HA 0.133 4.659 4.527 -0.001 0.000 0.359 65 F C 0.670 176.403 175.800 -0.112 0.000 1.122 65 F CA -0.172 57.657 58.000 -0.285 0.000 1.160 65 F CB 1.008 39.826 39.000 -0.304 0.000 1.146 65 F HN 0.411 nan 8.300 nan 0.000 0.514 66 D N 3.988 124.408 120.400 0.032 0.000 2.551 66 D HA -0.002 4.637 4.640 -0.001 0.000 0.223 66 D C -0.180 176.240 176.300 0.200 0.000 1.144 66 D CA -0.019 54.039 54.000 0.097 0.000 1.025 66 D CB -0.138 40.721 40.800 0.099 0.000 1.085 66 D HN 0.427 nan 8.370 nan 0.000 0.506 67 D N 0.730 121.299 120.400 0.282 0.000 2.943 67 D HA -0.032 4.607 4.640 -0.001 0.000 0.249 67 D C 0.989 177.566 176.300 0.462 0.000 1.231 67 D CA -0.383 53.852 54.000 0.391 0.000 0.979 67 D CB -0.111 41.019 40.800 0.550 0.000 1.053 67 D HN 0.122 nan 8.370 nan 0.000 0.504 68 T N -2.618 112.145 114.554 0.348 0.000 3.086 68 T HA 0.070 4.419 4.350 -0.001 0.000 0.250 68 T C 0.432 175.257 174.700 0.208 0.000 1.074 68 T CA -0.513 61.797 62.100 0.350 0.000 0.988 68 T CB -0.233 68.787 68.868 0.252 0.000 0.988 68 T HN 0.081 nan 8.240 nan 0.000 0.530 69 N N 2.020 120.802 118.700 0.137 0.000 2.690 69 N HA 0.332 5.071 4.740 -0.001 0.000 0.255 69 N C -2.003 173.471 175.510 -0.059 0.000 1.195 69 N CA -2.367 50.680 53.050 -0.005 0.000 0.790 69 N CB 1.995 40.507 38.487 0.041 0.000 1.216 69 N HN -0.067 nan 8.380 nan 0.000 0.528 70 P HA -0.217 nan 4.420 nan 0.000 0.216 70 P C 1.369 178.617 177.300 -0.087 0.000 1.157 70 P CA 1.491 64.459 63.100 -0.220 0.000 0.880 70 P CB 0.153 31.617 31.700 -0.394 0.000 0.791 71 V N -2.374 117.493 119.914 -0.078 0.000 2.720 71 V HA -0.090 4.030 4.120 -0.001 0.000 0.256 71 V C 1.872 177.988 176.094 0.036 0.000 1.082 71 V CA 1.658 63.955 62.300 -0.006 0.000 1.101 71 V CB -1.264 30.562 31.823 0.004 0.000 0.693 71 V HN -0.030 nan 8.190 nan 0.000 0.479 72 K N 0.401 120.827 120.400 0.043 0.000 2.367 72 K HA 0.343 4.662 4.320 -0.001 0.000 0.194 72 K C 0.478 177.149 176.600 0.119 0.000 1.027 72 K CA 0.165 56.501 56.287 0.082 0.000 1.075 72 K CB 0.509 33.049 32.500 0.067 0.000 0.845 72 K HN 0.675 nan 8.250 nan 0.000 0.529 73 E N 0.688 120.947 120.200 0.099 0.000 2.232 73 E HA 0.257 4.606 4.350 -0.001 0.000 0.264 73 E C -0.883 175.719 176.600 0.003 0.000 0.973 73 E CA -0.610 55.847 56.400 0.095 0.000 0.849 73 E CB 1.426 31.191 29.700 0.108 0.000 1.198 73 E HN -0.055 nan 8.360 nan 0.000 0.407 74 D N 0.941 121.235 120.400 -0.176 0.000 2.736 74 D HA 0.072 4.712 4.640 -0.001 0.000 0.223 74 D C 0.087 176.066 176.300 -0.535 0.000 1.231 74 D CA -0.543 53.239 54.000 -0.364 0.000 0.818 74 D CB 2.019 42.502 40.800 -0.528 0.000 1.587 74 D HN 0.367 nan 8.370 nan 0.000 0.463 75 I N 2.702 123.020 120.570 -0.419 0.000 2.454 75 I HA -0.125 4.044 4.170 -0.001 0.000 0.254 75 I C 2.027 177.928 176.117 -0.360 0.000 1.156 75 I CA 1.451 62.528 61.300 -0.373 0.000 1.433 75 I CB -0.206 37.671 38.000 -0.205 0.000 1.082 75 I HN 0.549 nan 8.210 nan 0.000 0.432 76 E N -0.624 119.327 120.200 -0.416 0.000 2.110 76 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 76 E C 1.985 178.330 176.600 -0.425 0.000 0.988 76 E CA 1.264 57.432 56.400 -0.387 0.000 0.804 76 E CB -0.140 29.314 29.700 -0.408 0.000 0.745 76 E HN 0.557 nan 8.360 nan 0.000 0.458 77 Y N -0.097 119.977 120.300 -0.377 0.000 2.200 77 Y HA -0.173 4.376 4.550 -0.001 0.000 0.290 77 Y C 2.524 178.185 175.900 -0.399 0.000 1.137 77 Y CA 0.997 58.803 58.100 -0.490 0.000 1.163 77 Y CB -1.227 36.991 38.460 -0.404 0.000 0.988 77 Y HN 0.072 nan 8.280 nan 0.000 0.518 78 V N -0.151 119.590 119.914 -0.288 0.000 2.343 78 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 78 V C 1.866 177.814 176.094 -0.242 0.000 1.051 78 V CA 2.293 64.299 62.300 -0.490 0.000 1.036 78 V CB -0.480 30.648 31.823 -1.159 0.000 0.654 78 V HN 0.413 nan 8.190 nan 0.000 0.451 79 E N 1.333 121.392 120.200 -0.234 0.000 2.038 79 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 79 E C 2.449 178.990 176.600 -0.097 0.000 1.000 79 E CA 2.134 58.458 56.400 -0.128 0.000 0.803 79 E CB -0.349 29.275 29.700 -0.127 0.000 0.750 79 E HN 0.896 nan 8.360 nan 0.000 0.448 80 S N 0.353 115.921 115.700 -0.219 0.000 2.419 80 S HA -0.117 4.352 4.470 -0.001 0.000 0.233 80 S C 1.975 176.481 174.600 -0.157 0.000 1.016 80 S CA 0.694 58.726 58.200 -0.280 0.000 0.974 80 S CB -0.341 62.343 63.200 -0.861 0.000 0.786 80 S HN 0.180 nan 8.310 nan 0.000 0.492 81 I N 1.415 121.938 120.570 -0.077 0.000 2.233 81 I HA -0.094 4.075 4.170 -0.001 0.000 0.243 81 I C 2.656 178.842 176.117 0.114 0.000 1.093 81 I CA 1.107 62.435 61.300 0.047 0.000 1.380 81 I CB -0.223 37.866 38.000 0.149 0.000 1.067 81 I HN 0.246 nan 8.210 nan 0.000 0.413 82 K N 0.555 121.055 120.400 0.168 0.000 2.103 82 K HA -0.243 4.076 4.320 -0.001 0.000 0.207 82 K C 1.853 178.590 176.600 0.229 0.000 1.048 82 K CA 1.885 58.279 56.287 0.179 0.000 0.930 82 K CB -0.353 32.275 32.500 0.214 0.000 0.716 82 K HN 0.227 nan 8.250 nan 0.000 0.444 83 N N 1.211 120.000 118.700 0.149 0.000 2.058 83 N HA -0.166 4.573 4.740 -0.001 0.000 0.191 83 N C 1.403 177.020 175.510 0.179 0.000 1.037 83 N CA 1.665 54.800 53.050 0.143 0.000 0.848 83 N CB -0.013 38.519 38.487 0.074 0.000 1.021 83 N HN 0.080 nan 8.380 nan 0.000 0.422 84 D N -0.430 120.060 120.400 0.150 0.000 2.123 84 D HA -0.115 4.524 4.640 -0.001 0.000 0.196 84 D C 2.015 178.454 176.300 0.231 0.000 0.992 84 D CA 0.862 54.985 54.000 0.205 0.000 0.833 84 D CB -0.372 40.523 40.800 0.159 0.000 0.954 84 D HN 0.114 nan 8.370 nan 0.000 0.455 85 V N 1.262 121.276 119.914 0.167 0.000 2.343 85 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 85 V C 2.311 178.462 176.094 0.096 0.000 1.051 85 V CA 1.637 63.998 62.300 0.102 0.000 1.036 85 V CB -0.408 31.497 31.823 0.136 0.000 0.654 85 V HN 0.192 nan 8.190 nan 0.000 0.451 86 E N -1.351 118.954 120.200 0.176 0.000 2.072 86 E HA -0.267 4.082 4.350 -0.001 0.000 0.191 86 E C 1.943 178.549 176.600 0.010 0.000 0.985 86 E CA 1.549 57.974 56.400 0.041 0.000 0.801 86 E CB -0.223 29.548 29.700 0.118 0.000 0.750 86 E HN 0.768 nan 8.360 nan 0.000 0.452 87 W N 1.320 122.589 121.300 -0.052 0.000 2.374 87 W HA -0.103 4.557 4.660 -0.000 0.000 0.288 87 W C 1.553 178.007 176.519 -0.108 0.000 1.218 87 W CA 1.023 58.330 57.345 -0.062 0.000 1.245 87 W CB -0.074 29.379 29.460 -0.012 0.000 1.126 87 W HN -0.025 nan 8.180 nan 0.000 0.545 88 L N 0.368 121.531 121.223 -0.099 0.000 2.275 88 L HA 0.057 4.396 4.340 -0.001 0.000 0.215 88 L C 1.871 178.350 176.870 -0.652 0.000 1.119 88 L CA 1.313 55.951 54.840 -0.336 0.000 0.790 88 L CB -0.879 41.191 42.059 0.018 0.000 0.919 88 L HN 0.335 nan 8.230 nan 0.000 0.443 89 G N -1.162 107.262 108.800 -0.626 0.000 2.141 89 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.164 89 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.164 89 G C -0.213 174.127 174.900 -0.933 0.000 1.009 89 G CA -0.677 43.960 45.100 -0.771 0.000 0.677 89 G HN 0.102 nan 8.290 nan 0.000 0.508 90 F N 1.123 120.769 119.950 -0.507 0.000 2.538 90 F HA 0.728 5.254 4.527 -0.001 0.000 0.325 90 F C 0.571 175.941 175.800 -0.716 0.000 1.066 90 F CA -1.006 56.658 58.000 -0.560 0.000 0.946 90 F CB 1.484 39.983 39.000 -0.836 0.000 1.199 90 F HN 0.033 nan 8.300 nan 0.000 0.473 91 H N 0.410 119.500 119.070 0.033 0.000 2.495 91 H HA 0.236 4.791 4.556 -0.001 0.000 0.348 91 H C -0.968 174.501 175.328 0.235 0.000 1.113 91 H CA -0.984 54.980 56.048 -0.139 0.000 1.195 91 H CB 1.629 31.280 29.762 -0.185 0.000 1.521 91 H HN 0.798 nan 8.280 nan 0.000 0.509 92 W N 0.878 122.446 121.300 0.446 0.000 2.353 92 W HA 0.535 5.195 4.660 -0.001 0.000 0.377 92 W C 0.015 176.675 176.519 0.235 0.000 1.375 92 W CA -1.186 56.426 57.345 0.445 0.000 1.503 92 W CB 0.200 29.898 29.460 0.396 0.000 1.345 92 W HN 0.305 nan 8.180 nan 0.000 0.683 93 S N 1.328 117.293 115.700 0.442 0.000 2.474 93 S HA 0.477 4.947 4.470 -0.001 0.000 0.276 93 S C 0.734 175.522 174.600 0.313 0.000 1.227 93 S CA 0.619 58.975 58.200 0.260 0.000 1.050 93 S CB -0.688 62.614 63.200 0.170 0.000 0.939 93 S HN 1.331 nan 8.310 nan 0.000 0.490 94 G N 6.063 114.994 108.800 0.219 0.000 2.581 94 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.291 94 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.291 94 G C -0.133 174.965 174.900 0.331 0.000 1.277 94 G CA -0.086 45.142 45.100 0.213 0.000 0.959 94 G HN 0.739 nan 8.290 nan 0.000 0.554 95 N N -0.473 118.393 118.700 0.276 0.000 2.354 95 N HA 0.342 5.081 4.740 -0.001 0.000 0.246 95 N C 0.647 176.334 175.510 0.295 0.000 1.285 95 N CA -0.133 53.104 53.050 0.312 0.000 0.925 95 N CB 0.647 39.261 38.487 0.213 0.000 1.174 95 N HN 0.533 nan 8.380 nan 0.000 0.478 96 V N 1.679 121.726 119.914 0.223 0.000 2.811 96 V HA 0.086 4.205 4.120 -0.001 0.000 0.302 96 V C 0.695 176.740 176.094 -0.083 0.000 1.063 96 V CA -0.004 62.225 62.300 -0.118 0.000 1.088 96 V CB 0.286 32.026 31.823 -0.138 0.000 0.982 96 V HN 0.488 nan 8.190 nan 0.000 0.485 97 R N 3.077 123.433 120.500 -0.240 0.000 2.732 97 R HA 0.597 4.936 4.340 -0.001 0.000 0.278 97 R C -1.470 174.630 176.300 -0.334 0.000 0.976 97 R CA -0.717 55.287 56.100 -0.161 0.000 0.963 97 R CB 1.236 31.485 30.300 -0.085 0.000 1.150 97 R HN 0.629 nan 8.270 nan 0.000 0.478 98 Y N -0.875 119.320 120.300 -0.175 0.000 2.406 98 Y HA 0.183 4.732 4.550 -0.001 0.000 0.340 98 Y C 1.293 176.949 175.900 -0.406 0.000 0.975 98 Y CA -0.605 57.401 58.100 -0.158 0.000 1.056 98 Y CB 2.426 40.807 38.460 -0.131 0.000 1.210 98 Y HN 0.541 nan 8.280 nan 0.000 0.448 99 S N 0.508 116.149 115.700 -0.097 0.000 2.402 99 S HA -0.241 4.228 4.470 -0.001 0.000 0.233 99 S C 2.069 176.421 174.600 -0.415 0.000 1.030 99 S CA 1.929 60.061 58.200 -0.114 0.000 1.003 99 S CB -0.327 62.917 63.200 0.073 0.000 0.813 99 S HN 0.854 nan 8.310 nan 0.000 0.477 100 S N 2.076 117.393 115.700 -0.637 0.000 2.419 100 S HA -0.171 4.298 4.470 -0.001 0.000 0.235 100 S C 1.137 175.106 174.600 -1.052 0.000 1.019 100 S CA 1.252 58.519 58.200 -1.555 0.000 0.982 100 S CB -0.526 62.003 63.200 -1.119 0.000 0.789 100 S HN 0.411 nan 8.310 nan 0.000 0.490 101 D N 0.656 120.634 120.400 -0.703 0.000 2.351 101 D HA -0.045 4.594 4.640 -0.001 0.000 0.216 101 D C 0.419 176.456 176.300 -0.439 0.000 0.968 101 D CA 0.897 54.559 54.000 -0.564 0.000 0.899 101 D CB -0.270 40.167 40.800 -0.605 0.000 0.907 101 D HN 0.631 nan 8.370 nan 0.000 0.514 102 Y N -1.121 119.092 120.300 -0.145 0.000 2.555 102 Y HA 0.179 4.729 4.550 -0.001 0.000 0.259 102 Y C 1.416 177.387 175.900 0.119 0.000 1.179 102 Y CA -0.969 57.124 58.100 -0.012 0.000 1.230 102 Y CB -0.400 38.044 38.460 -0.026 0.000 1.146 102 Y HN -0.198 nan 8.280 nan 0.000 0.526 103 F N 1.079 121.011 119.950 -0.031 0.000 2.120 103 F HA -0.238 4.288 4.527 -0.001 0.000 0.300 103 F C 1.855 177.639 175.800 -0.027 0.000 1.095 103 F CA 1.021 58.872 58.000 -0.248 0.000 1.249 103 F CB -0.683 37.879 39.000 -0.730 0.000 0.995 103 F HN 0.203 nan 8.300 nan 0.000 0.480 104 D N -0.529 120.111 120.400 0.399 0.000 2.117 104 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 104 D C 2.171 178.654 176.300 0.305 0.000 0.982 104 D CA 1.022 55.269 54.000 0.413 0.000 0.828 104 D CB -0.254 40.733 40.800 0.311 0.000 0.967 104 D HN 0.261 nan 8.370 nan 0.000 0.464 105 Q N 0.242 120.186 119.800 0.239 0.000 2.050 105 Q HA -0.095 4.245 4.340 -0.001 0.000 0.202 105 Q C 2.172 178.300 176.000 0.214 0.000 0.980 105 Q CA 0.647 56.535 55.803 0.143 0.000 0.840 105 Q CB -0.254 28.584 28.738 0.167 0.000 0.898 105 Q HN 0.129 nan 8.270 nan 0.000 0.424 106 L N -0.222 121.185 121.223 0.307 0.000 2.012 106 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 106 L C 2.282 179.500 176.870 0.580 0.000 1.073 106 L CA 2.151 57.226 54.840 0.391 0.000 0.748 106 L CB -1.490 40.789 42.059 0.367 0.000 0.891 106 L HN 0.430 nan 8.230 nan 0.000 0.431 107 H N -0.280 119.016 119.070 0.377 0.000 2.352 107 H HA -0.102 4.453 4.556 -0.001 0.000 0.299 107 H C 2.043 177.529 175.328 0.263 0.000 1.097 107 H CA 1.763 57.990 56.048 0.299 0.000 1.311 107 H CB 0.214 30.132 29.762 0.259 0.000 1.377 107 H HN 0.280 nan 8.280 nan 0.000 0.504 108 A N -0.433 122.465 122.820 0.130 0.000 1.930 108 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 108 A C 1.976 179.519 177.584 -0.069 0.000 1.175 108 A CA 1.351 53.362 52.037 -0.043 0.000 0.627 108 A CB -0.945 17.979 19.000 -0.126 0.000 0.815 108 A HN 0.552 nan 8.150 nan 0.000 0.443 109 Y N -0.101 120.272 120.300 0.123 0.000 2.352 109 Y HA 0.010 4.560 4.550 -0.001 0.000 0.292 109 Y C 2.809 178.849 175.900 0.232 0.000 1.136 109 Y CA 0.341 58.521 58.100 0.134 0.000 1.227 109 Y CB -0.548 37.948 38.460 0.060 0.000 0.991 109 Y HN 0.335 nan 8.280 nan 0.000 0.545 110 A N -0.076 122.998 122.820 0.424 0.000 1.930 110 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 110 A C 2.239 179.774 177.584 -0.083 0.000 1.175 110 A CA 1.477 53.578 52.037 0.108 0.000 0.627 110 A CB -0.920 18.042 19.000 -0.063 0.000 0.815 110 A HN 0.451 nan 8.150 nan 0.000 0.443 111 I N -0.658 119.878 120.570 -0.056 0.000 2.394 111 I HA -0.224 3.945 4.170 -0.001 0.000 0.251 111 I C 2.523 178.632 176.117 -0.013 0.000 1.136 111 I CA 1.633 62.899 61.300 -0.056 0.000 1.425 111 I CB -0.238 37.726 38.000 -0.059 0.000 1.079 111 I HN 0.564 nan 8.210 nan 0.000 0.425 112 E N 1.512 121.729 120.200 0.028 0.000 2.051 112 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 112 E C 2.382 179.005 176.600 0.038 0.000 0.991 112 E CA 1.111 57.537 56.400 0.043 0.000 0.799 112 E CB -0.002 29.757 29.700 0.098 0.000 0.748 112 E HN 0.430 nan 8.360 nan 0.000 0.449 113 L N 0.657 121.914 121.223 0.055 0.000 2.012 113 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 113 L C 2.617 179.498 176.870 0.019 0.000 1.073 113 L CA 1.092 55.956 54.840 0.040 0.000 0.748 113 L CB -0.434 41.668 42.059 0.073 0.000 0.891 113 L HN 0.281 nan 8.230 nan 0.000 0.431 114 I N 0.011 120.562 120.570 -0.031 0.000 2.163 114 I HA -0.338 3.831 4.170 -0.001 0.000 0.243 114 I C 2.069 178.191 176.117 0.009 0.000 1.085 114 I CA 1.737 63.018 61.300 -0.031 0.000 1.347 114 I CB -0.501 37.447 38.000 -0.087 0.000 1.044 114 I HN 0.359 nan 8.210 nan 0.000 0.408 115 N N 0.664 119.368 118.700 0.007 0.000 2.205 115 N HA -0.185 4.555 4.740 -0.001 0.000 0.186 115 N C 1.219 176.740 175.510 0.019 0.000 1.015 115 N CA 0.941 54.000 53.050 0.014 0.000 0.862 115 N CB 0.001 38.495 38.487 0.011 0.000 0.986 115 N HN 0.354 nan 8.380 nan 0.000 0.429 116 K N 0.024 120.436 120.400 0.020 0.000 2.458 116 K HA 0.121 4.440 4.320 -0.001 0.000 0.194 116 K C 0.844 177.468 176.600 0.041 0.000 1.024 116 K CA 0.259 56.559 56.287 0.021 0.000 1.108 116 K CB 0.568 33.071 32.500 0.006 0.000 0.846 116 K HN 0.210 nan 8.250 nan 0.000 0.518 117 G N 1.601 110.431 108.800 0.050 0.000 2.166 117 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.260 117 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.260 117 G C 0.585 175.552 174.900 0.112 0.000 0.986 117 G CA 0.147 45.288 45.100 0.068 0.000 0.683 117 G HN 0.337 nan 8.290 nan 0.000 0.527 118 L N -0.329 120.972 121.223 0.130 0.000 2.611 118 L HA 0.572 4.911 4.340 -0.001 0.000 0.229 118 L C 1.212 178.233 176.870 0.252 0.000 1.137 118 L CA 0.695 55.675 54.840 0.232 0.000 0.901 118 L CB -0.129 42.073 42.059 0.238 0.000 1.098 118 L HN 0.603 nan 8.230 nan 0.000 0.456 119 A N -0.127 122.787 122.820 0.157 0.000 2.574 119 A HA 0.686 5.006 4.320 -0.001 0.000 0.297 119 A C -1.705 175.923 177.584 0.074 0.000 1.062 119 A CA -0.419 51.647 52.037 0.049 0.000 0.686 119 A CB 1.398 20.333 19.000 -0.109 0.000 1.285 119 A HN 0.174 nan 8.150 nan 0.000 0.403 120 Y N -1.261 118.974 120.300 -0.108 0.000 2.581 120 Y HA 0.672 5.221 4.550 -0.001 0.000 0.337 120 Y C -1.106 174.726 175.900 -0.113 0.000 1.108 120 Y CA -1.575 56.472 58.100 -0.089 0.000 1.033 120 Y CB 0.762 39.204 38.460 -0.031 0.000 1.318 120 Y HN 0.468 nan 8.280 nan 0.000 0.459 121 V N 3.274 123.132 119.914 -0.094 0.000 2.427 121 V HA 0.172 4.292 4.120 -0.001 0.000 0.268 121 V C -0.341 175.693 176.094 -0.101 0.000 1.046 121 V CA 0.155 62.360 62.300 -0.158 0.000 0.970 121 V CB 0.542 32.338 31.823 -0.045 0.000 1.001 121 V HN 0.761 nan 8.190 nan 0.000 0.476 122 D N 3.668 123.928 120.400 -0.234 0.000 2.175 122 D HA 0.303 4.943 4.640 -0.001 0.000 0.248 122 D C 0.437 176.541 176.300 -0.327 0.000 1.047 122 D CA -0.414 53.513 54.000 -0.121 0.000 0.883 122 D CB 1.864 42.616 40.800 -0.080 0.000 1.180 122 D HN 0.620 nan 8.370 nan 0.000 0.438 123 E N 1.687 121.547 120.200 -0.566 0.000 2.624 123 E HA 0.106 4.456 4.350 -0.001 0.000 0.210 123 E C -0.247 176.142 176.600 -0.352 0.000 0.997 123 E CA -0.529 55.492 56.400 -0.633 0.000 0.999 123 E CB 0.635 29.789 29.700 -0.911 0.000 1.040 123 E HN 0.210 nan 8.360 nan 0.000 0.469 124 L N 2.226 123.357 121.223 -0.153 0.000 2.426 124 L HA 0.052 4.391 4.340 -0.001 0.000 0.271 124 L C 1.144 177.973 176.870 -0.069 0.000 1.169 124 L CA 0.396 55.206 54.840 -0.050 0.000 0.836 124 L CB 0.649 42.641 42.059 -0.113 0.000 1.112 124 L HN 0.100 nan 8.230 nan 0.000 0.465 125 T N 1.365 115.904 114.554 -0.026 0.000 2.748 125 T HA 0.163 4.513 4.350 -0.001 0.000 0.304 125 T C -1.797 172.898 174.700 -0.008 0.000 1.041 125 T CA -1.149 60.943 62.100 -0.013 0.000 1.033 125 T CB 0.203 69.081 68.868 0.018 0.000 0.995 125 T HN 0.481 nan 8.240 nan 0.000 0.536 126 P HA -0.019 nan 4.420 nan 0.000 0.222 126 P C 0.992 178.306 177.300 0.023 0.000 1.147 126 P CA 0.860 63.964 63.100 0.007 0.000 0.790 126 P CB 0.049 31.756 31.700 0.012 0.000 0.780 127 E N -0.982 119.238 120.200 0.033 0.000 2.170 127 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 127 E C 2.000 178.643 176.600 0.072 0.000 0.981 127 E CA 0.836 57.264 56.400 0.048 0.000 0.830 127 E CB -0.667 29.061 29.700 0.048 0.000 0.775 127 E HN 0.352 nan 8.360 nan 0.000 0.470 128 Q N 0.303 120.147 119.800 0.074 0.000 2.123 128 Q HA -0.001 4.338 4.340 -0.001 0.000 0.199 128 Q C 2.252 178.336 176.000 0.141 0.000 0.966 128 Q CA 0.819 56.699 55.803 0.129 0.000 0.845 128 Q CB -0.086 28.691 28.738 0.064 0.000 0.907 128 Q HN 0.319 nan 8.270 nan 0.000 0.439 129 I N 0.738 121.339 120.570 0.052 0.000 2.361 129 I HA -0.311 3.858 4.170 -0.001 0.000 0.251 129 I C 2.515 178.693 176.117 0.103 0.000 1.133 129 I CA 1.132 62.462 61.300 0.050 0.000 1.413 129 I CB 0.017 38.020 38.000 0.005 0.000 1.073 129 I HN 0.113 nan 8.210 nan 0.000 0.424 130 R N 0.779 121.332 120.500 0.088 0.000 2.073 130 R HA -0.151 4.188 4.340 -0.001 0.000 0.229 130 R C 2.042 178.401 176.300 0.099 0.000 1.120 130 R CA 1.546 57.692 56.100 0.076 0.000 0.967 130 R CB -0.160 30.171 30.300 0.053 0.000 0.862 130 R HN 0.461 nan 8.270 nan 0.000 0.436 131 E N -0.726 119.555 120.200 0.136 0.000 2.153 131 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 131 E C 1.190 177.870 176.600 0.132 0.000 0.988 131 E CA 1.091 57.567 56.400 0.127 0.000 0.811 131 E CB 0.006 29.800 29.700 0.158 0.000 0.746 131 E HN 0.431 nan 8.360 nan 0.000 0.466 132 Y N 0.125 120.436 120.300 0.018 0.000 2.482 132 Y HA 0.124 4.673 4.550 -0.001 0.000 0.270 132 Y C 2.003 177.912 175.900 0.013 0.000 1.152 132 Y CA 0.118 58.228 58.100 0.017 0.000 1.292 132 Y CB 0.239 38.717 38.460 0.030 0.000 1.070 132 Y HN -0.135 nan 8.280 nan 0.000 0.528 133 R N 0.105 120.693 120.500 0.147 0.000 2.236 133 R HA 0.139 4.478 4.340 -0.001 0.000 0.208 133 R C 0.910 177.236 176.300 0.044 0.000 1.036 133 R CA 0.839 56.990 56.100 0.086 0.000 1.001 133 R CB -0.217 30.122 30.300 0.064 0.000 0.896 133 R HN 0.500 nan 8.270 nan 0.000 0.464 134 G N -0.304 108.510 108.800 0.023 0.000 2.660 134 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.215 134 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.215 134 G C -0.173 174.726 174.900 -0.001 0.000 1.345 134 G CA -0.236 44.863 45.100 -0.001 0.000 0.877 134 G HN 0.388 nan 8.290 nan 0.000 0.549 135 T N -2.913 111.635 114.554 -0.010 0.000 2.724 135 T HA 0.694 5.044 4.350 -0.001 0.000 0.274 135 T C 1.614 176.303 174.700 -0.017 0.000 0.984 135 T CA -0.026 62.067 62.100 -0.012 0.000 1.024 135 T CB 1.203 70.061 68.868 -0.016 0.000 1.320 135 T HN 0.966 nan 8.240 nan 0.000 0.555 136 L N 0.781 121.991 121.223 -0.022 0.000 2.456 136 L HA 0.083 4.422 4.340 -0.001 0.000 0.224 136 L C 2.149 178.996 176.870 -0.038 0.000 1.148 136 L CA 1.449 56.269 54.840 -0.032 0.000 0.825 136 L CB -0.736 41.303 42.059 -0.034 0.000 0.937 136 L HN 0.995 nan 8.230 nan 0.000 0.450 137 T N -5.652 108.883 114.554 -0.032 0.000 3.058 137 T HA 0.218 4.567 4.350 -0.001 0.000 0.278 137 T C 0.494 175.176 174.700 -0.030 0.000 0.974 137 T CA -0.341 61.738 62.100 -0.034 0.000 0.893 137 T CB 0.488 69.337 68.868 -0.032 0.000 1.138 137 T HN 0.140 nan 8.240 nan 0.000 0.529 138 Q N 2.352 122.136 119.800 -0.027 0.000 2.337 138 Q HA 0.475 4.814 4.340 -0.001 0.000 0.270 138 Q C -2.947 173.039 176.000 -0.023 0.000 1.043 138 Q CA -2.527 53.260 55.803 -0.026 0.000 0.794 138 Q CB 2.945 31.666 28.738 -0.028 0.000 1.281 138 Q HN 0.143 nan 8.270 nan 0.000 0.446 139 P HA 0.016 nan 4.420 nan 0.000 0.272 139 P C -0.171 177.121 177.300 -0.014 0.000 1.223 139 P CA 0.084 63.175 63.100 -0.014 0.000 0.784 139 P CB 0.831 32.523 31.700 -0.013 0.000 0.923 140 G N 1.720 110.521 108.800 0.002 0.000 2.535 140 G HA2 0.484 4.444 3.960 -0.001 0.000 0.282 140 G HA3 0.484 4.444 3.960 -0.001 0.000 0.282 140 G C -0.559 174.345 174.900 0.007 0.000 1.350 140 G CA -0.639 44.469 45.100 0.013 0.000 1.039 140 G HN 0.692 nan 8.290 nan 0.000 0.509 141 K N -1.005 119.415 120.400 0.033 0.000 2.469 141 K HA 0.296 4.616 4.320 -0.001 0.000 0.254 141 K C -0.834 175.867 176.600 0.168 0.000 0.939 141 K CA -0.842 55.465 56.287 0.034 0.000 0.812 141 K CB 1.842 34.286 32.500 -0.094 0.000 1.301 141 K HN 0.488 nan 8.250 nan 0.000 0.433 142 N N 1.052 119.819 118.700 0.112 0.000 2.412 142 N HA -0.077 4.663 4.740 -0.001 0.000 0.254 142 N C -0.325 175.296 175.510 0.184 0.000 1.232 142 N CA 0.148 53.260 53.050 0.104 0.000 0.880 142 N CB 0.748 39.242 38.487 0.013 0.000 1.076 142 N HN 0.592 nan 8.380 nan 0.000 0.458 143 S N 2.301 118.053 115.700 0.087 0.000 2.576 143 S HA 0.140 4.610 4.470 -0.001 0.000 0.276 143 S C -1.251 173.281 174.600 -0.114 0.000 1.339 143 S CA -1.522 56.653 58.200 -0.041 0.000 1.039 143 S CB 0.784 64.010 63.200 0.043 0.000 0.902 143 S HN 0.446 nan 8.310 nan 0.000 0.516 144 P HA -0.042 nan 4.420 nan 0.000 0.234 144 P C 0.009 177.016 177.300 -0.489 0.000 1.167 144 P CA 1.019 63.873 63.100 -0.410 0.000 0.763 144 P CB -0.152 31.207 31.700 -0.568 0.000 0.835 145 Y N -1.030 119.233 120.300 -0.061 0.000 2.458 145 Y HA 0.313 4.862 4.550 -0.001 0.000 0.256 145 Y C 2.627 178.426 175.900 -0.168 0.000 1.159 145 Y CA -0.411 57.665 58.100 -0.040 0.000 1.261 145 Y CB -0.616 37.867 38.460 0.038 0.000 1.119 145 Y HN -0.199 nan 8.280 nan 0.000 0.524 146 R N 0.800 121.139 120.500 -0.269 0.000 2.170 146 R HA -0.149 4.190 4.340 -0.001 0.000 0.242 146 R C 0.003 175.961 176.300 -0.571 0.000 1.145 146 R CA 1.679 57.285 56.100 -0.823 0.000 0.984 146 R CB -0.040 29.925 30.300 -0.558 0.000 0.869 146 R HN 0.219 nan 8.270 nan 0.000 0.455 147 D N 0.287 120.537 120.400 -0.250 0.000 2.615 147 D HA 0.067 4.706 4.640 -0.001 0.000 0.236 147 D C -0.207 176.060 176.300 -0.055 0.000 1.233 147 D CA -0.036 53.880 54.000 -0.141 0.000 0.829 147 D CB 0.260 41.003 40.800 -0.096 0.000 1.024 147 D HN 0.143 nan 8.370 nan 0.000 0.490 148 R N 0.718 121.208 120.500 -0.017 0.000 2.827 148 R HA 0.153 4.493 4.340 -0.001 0.000 0.269 148 R C 1.024 177.349 176.300 0.041 0.000 1.048 148 R CA 0.009 56.138 56.100 0.047 0.000 1.173 148 R CB 0.579 30.944 30.300 0.108 0.000 1.070 148 R HN 0.086 nan 8.270 nan 0.000 0.498 149 S N -0.257 115.471 115.700 0.046 0.000 2.614 149 S HA 0.048 4.518 4.470 -0.001 0.000 0.265 149 S C 1.512 176.142 174.600 0.051 0.000 1.303 149 S CA -0.978 57.246 58.200 0.040 0.000 1.000 149 S CB 1.293 64.514 63.200 0.035 0.000 0.935 149 S HN 0.354 nan 8.310 nan 0.000 0.551 150 V N 1.841 121.780 119.914 0.042 0.000 2.278 150 V HA -0.213 3.906 4.120 -0.001 0.000 0.251 150 V C 2.611 178.734 176.094 0.048 0.000 1.062 150 V CA 2.528 64.854 62.300 0.043 0.000 1.038 150 V CB -1.342 30.501 31.823 0.033 0.000 0.646 150 V HN 0.880 nan 8.190 nan 0.000 0.447 151 E N 0.158 120.385 120.200 0.045 0.000 2.085 151 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 151 E C 2.154 178.790 176.600 0.060 0.000 0.994 151 E CA 1.563 57.991 56.400 0.047 0.000 0.801 151 E CB -0.367 29.356 29.700 0.038 0.000 0.743 151 E HN 0.719 nan 8.360 nan 0.000 0.453 152 E N 0.331 120.571 120.200 0.066 0.000 2.077 152 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 152 E C 1.907 178.567 176.600 0.100 0.000 0.989 152 E CA 1.128 57.577 56.400 0.082 0.000 0.800 152 E CB -0.297 29.454 29.700 0.086 0.000 0.746 152 E HN 0.321 nan 8.360 nan 0.000 0.452 153 N N 0.566 119.323 118.700 0.095 0.000 2.043 153 N HA -0.180 4.559 4.740 -0.001 0.000 0.193 153 N C 1.706 177.287 175.510 0.119 0.000 1.037 153 N CA 0.708 53.815 53.050 0.094 0.000 0.851 153 N CB -0.079 38.448 38.487 0.067 0.000 1.027 153 N HN -0.024 nan 8.380 nan 0.000 0.422 154 L N 1.139 122.423 121.223 0.102 0.000 2.013 154 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 154 L C 2.306 179.263 176.870 0.144 0.000 1.073 154 L CA 1.577 56.494 54.840 0.127 0.000 0.753 154 L CB -1.175 40.933 42.059 0.082 0.000 0.890 154 L HN 0.183 nan 8.230 nan 0.000 0.432 155 A N -1.338 121.547 122.820 0.109 0.000 1.858 155 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 155 A C 2.133 179.793 177.584 0.126 0.000 1.190 155 A CA 1.535 53.627 52.037 0.092 0.000 0.617 155 A CB -0.782 18.260 19.000 0.070 0.000 0.827 155 A HN 0.318 nan 8.150 nan 0.000 0.443 156 L N -1.689 119.636 121.223 0.171 0.000 2.083 156 L HA -0.091 4.248 4.340 -0.001 0.000 0.209 156 L C 2.244 179.304 176.870 0.316 0.000 1.083 156 L CA 1.425 56.420 54.840 0.258 0.000 0.752 156 L CB -1.408 40.791 42.059 0.233 0.000 0.899 156 L HN 0.492 nan 8.230 nan 0.000 0.433 157 F N 0.962 120.951 119.950 0.065 0.000 2.113 157 F HA -0.190 4.336 4.527 -0.001 0.000 0.297 157 F C 2.554 178.388 175.800 0.057 0.000 1.103 157 F CA 1.646 59.660 58.000 0.023 0.000 1.248 157 F CB -0.344 38.630 39.000 -0.042 0.000 0.999 157 F HN 0.184 nan 8.300 nan 0.000 0.475 158 E N 0.949 121.169 120.200 0.033 0.000 2.085 158 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 158 E C 2.241 178.799 176.600 -0.070 0.000 0.994 158 E CA 1.868 58.222 56.400 -0.077 0.000 0.801 158 E CB -0.501 29.193 29.700 -0.009 0.000 0.743 158 E HN 0.450 nan 8.360 nan 0.000 0.453 159 K N -0.488 119.921 120.400 0.015 0.000 2.057 159 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 159 K C 2.246 178.878 176.600 0.054 0.000 1.049 159 K CA 1.683 57.963 56.287 -0.011 0.000 0.931 159 K CB -0.184 32.280 32.500 -0.059 0.000 0.714 159 K HN 0.188 nan 8.250 nan 0.000 0.440 160 M N 0.282 119.995 119.600 0.188 0.000 2.065 160 M HA -0.197 4.282 4.480 -0.001 0.000 0.259 160 M C 2.495 178.779 176.300 -0.028 0.000 1.069 160 M CA 1.659 57.075 55.300 0.194 0.000 1.110 160 M CB -0.295 32.403 32.600 0.163 0.000 1.328 160 M HN 0.158 nan 8.290 nan 0.000 0.405 161 R N 0.309 120.686 120.500 -0.204 0.000 2.091 161 R HA -0.124 4.216 4.340 -0.001 0.000 0.238 161 R C 1.866 178.060 176.300 -0.177 0.000 1.136 161 R CA 1.702 57.645 56.100 -0.262 0.000 0.959 161 R CB -0.259 29.790 30.300 -0.418 0.000 0.856 161 R HN 0.393 nan 8.270 nan 0.000 0.437 162 A N -0.412 122.329 122.820 -0.131 0.000 2.239 162 A HA 0.125 4.444 4.320 -0.001 0.000 0.209 162 A C 1.272 178.852 177.584 -0.006 0.000 1.171 162 A CA 1.000 52.981 52.037 -0.092 0.000 0.768 162 A CB -0.235 18.709 19.000 -0.093 0.000 0.790 162 A HN 0.596 nan 8.150 nan 0.000 0.478 163 G N -2.303 106.537 108.800 0.067 0.000 2.136 163 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.242 163 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.242 163 G C 1.047 176.062 174.900 0.192 0.000 0.989 163 G CA 0.413 45.668 45.100 0.258 0.000 0.682 163 G HN 1.294 nan 8.290 nan 0.000 0.522 164 G N -0.881 107.938 108.800 0.032 0.000 2.848 164 G HA2 0.376 4.335 3.960 -0.001 0.000 0.208 164 G HA3 0.376 4.335 3.960 -0.001 0.000 0.208 164 G C 0.243 175.003 174.900 -0.233 0.000 1.152 164 G CA 0.257 45.271 45.100 -0.143 0.000 0.789 164 G HN 0.410 nan 8.290 nan 0.000 0.531 165 F N 0.592 120.616 119.950 0.124 0.000 2.507 165 F HA 0.415 4.941 4.527 -0.001 0.000 0.325 165 F C 0.332 176.265 175.800 0.221 0.000 1.116 165 F CA -1.439 56.630 58.000 0.115 0.000 0.930 165 F CB 1.717 40.756 39.000 0.064 0.000 1.146 165 F HN -0.018 nan 8.300 nan 0.000 0.447 166 E N 1.629 122.066 120.200 0.394 0.000 2.408 166 E HA 0.093 4.443 4.350 -0.001 0.000 0.259 166 E C -0.388 176.412 176.600 0.334 0.000 1.110 166 E CA -0.446 56.170 56.400 0.359 0.000 0.929 166 E CB 0.520 30.342 29.700 0.203 0.000 0.971 166 E HN 0.527 nan 8.360 nan 0.000 0.438 167 E N 0.216 120.627 120.200 0.351 0.000 2.568 167 E HA -0.050 4.300 4.350 -0.001 0.000 0.262 167 E C 0.876 177.543 176.600 0.111 0.000 0.961 167 E CA 0.806 57.324 56.400 0.195 0.000 0.945 167 E CB 0.214 30.033 29.700 0.199 0.000 0.924 167 E HN 0.831 nan 8.360 nan 0.000 0.467 168 G N 3.100 111.930 108.800 0.050 0.000 2.220 168 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.269 168 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.269 168 G C 1.060 175.944 174.900 -0.026 0.000 0.977 168 G CA 0.839 45.945 45.100 0.011 0.000 0.634 168 G HN 0.476 nan 8.290 nan 0.000 0.539 169 K N 0.459 120.850 120.400 -0.015 0.000 2.366 169 K HA 0.620 4.940 4.320 -0.001 0.000 0.198 169 K C 1.051 177.457 176.600 -0.324 0.000 1.044 169 K CA 1.330 57.574 56.287 -0.071 0.000 0.973 169 K CB 0.260 32.818 32.500 0.097 0.000 0.767 169 K HN 1.183 nan 8.250 nan 0.000 0.475 170 A N -0.807 121.772 122.820 -0.402 0.000 2.604 170 A HA 0.636 4.955 4.320 -0.001 0.000 0.295 170 A C -1.198 176.194 177.584 -0.319 0.000 1.067 170 A CA -0.673 51.009 52.037 -0.591 0.000 0.683 170 A CB 0.733 18.910 19.000 -1.371 0.000 1.281 170 A HN 0.257 nan 8.150 nan 0.000 0.407 171 C N -0.048 119.092 119.300 -0.267 0.000 3.311 171 C HA 0.839 5.298 4.460 -0.001 0.000 0.325 171 C C -1.473 173.401 174.990 -0.192 0.000 1.352 171 C CA -0.808 58.120 59.018 -0.151 0.000 1.308 171 C CB 0.447 28.112 27.740 -0.125 0.000 1.619 171 C HN 1.399 nan 8.230 nan 0.000 0.469 172 L N 2.163 123.294 121.223 -0.153 0.000 2.295 172 L HA 0.739 5.078 4.340 -0.001 0.000 0.285 172 L C 0.071 176.718 176.870 -0.371 0.000 1.035 172 L CA 0.018 54.670 54.840 -0.314 0.000 0.806 172 L CB 0.705 42.535 42.059 -0.382 0.000 1.214 172 L HN 0.796 nan 8.230 nan 0.000 0.426 173 R N 3.492 123.649 120.500 -0.572 0.000 2.740 173 R HA 0.766 5.105 4.340 -0.001 0.000 0.282 173 R C -0.904 175.112 176.300 -0.473 0.000 0.969 173 R CA -0.966 54.816 56.100 -0.530 0.000 0.918 173 R CB 1.886 31.809 30.300 -0.629 0.000 1.175 173 R HN 0.746 nan 8.270 nan 0.000 0.464 174 A N 1.850 124.503 122.820 -0.278 0.000 2.340 174 A HA 0.231 4.551 4.320 -0.001 0.000 0.268 174 A C -0.174 177.383 177.584 -0.044 0.000 1.100 174 A CA -0.329 51.617 52.037 -0.151 0.000 0.803 174 A CB 0.459 19.300 19.000 -0.265 0.000 1.043 174 A HN 0.620 nan 8.150 nan 0.000 0.488 175 K N 3.062 123.540 120.400 0.131 0.000 2.266 175 K HA 0.505 4.824 4.320 -0.001 0.000 0.274 175 K C -0.376 176.255 176.600 0.050 0.000 1.090 175 K CA -0.152 56.254 56.287 0.199 0.000 0.925 175 K CB -0.086 32.565 32.500 0.253 0.000 1.225 175 K HN 0.738 nan 8.250 nan 0.000 0.458 176 I N 0.532 121.052 120.570 -0.083 0.000 4.199 176 I HA 0.239 4.408 4.170 -0.001 0.000 0.258 176 I C -0.291 175.789 176.117 -0.062 0.000 0.703 176 I CA -0.616 60.584 61.300 -0.168 0.000 2.772 176 I CB 0.400 38.095 38.000 -0.507 0.000 1.497 176 I HN 0.423 nan 8.210 nan 0.000 0.518 177 D N 1.000 121.353 120.400 -0.079 0.000 2.476 177 D HA 0.258 4.897 4.640 -0.001 0.000 0.251 177 D C 0.387 176.683 176.300 -0.007 0.000 1.291 177 D CA -0.323 53.664 54.000 -0.021 0.000 0.939 177 D CB 1.563 42.362 40.800 -0.002 0.000 1.221 177 D HN 0.126 nan 8.370 nan 0.000 0.567 178 M N 1.753 121.358 119.600 0.009 0.000 2.632 178 M HA 0.045 4.524 4.480 -0.001 0.000 0.256 178 M C 1.114 177.425 176.300 0.019 0.000 1.080 178 M CA 0.530 55.844 55.300 0.023 0.000 1.084 178 M CB -0.712 31.913 32.600 0.041 0.000 1.439 178 M HN 0.458 nan 8.290 nan 0.000 0.509 179 A N -0.623 122.206 122.820 0.014 0.000 2.749 179 A HA 0.323 4.643 4.320 -0.001 0.000 0.299 179 A C 0.619 178.213 177.584 0.018 0.000 1.105 179 A CA -0.311 51.733 52.037 0.011 0.000 0.987 179 A CB 0.010 19.014 19.000 0.006 0.000 1.180 179 A HN 0.229 nan 8.150 nan 0.000 0.528 180 S N 0.872 116.591 115.700 0.032 0.000 2.586 180 S HA 0.456 4.926 4.470 -0.001 0.000 0.274 180 S C -1.228 173.398 174.600 0.044 0.000 1.281 180 S CA -1.278 56.959 58.200 0.063 0.000 1.035 180 S CB 0.919 64.183 63.200 0.106 0.000 0.962 180 S HN 0.268 nan 8.310 nan 0.000 0.512 181 P HA 0.025 nan 4.420 nan 0.000 0.226 181 P C -0.183 177.023 177.300 -0.157 0.000 1.153 181 P CA 0.638 63.670 63.100 -0.113 0.000 0.777 181 P CB -0.096 31.482 31.700 -0.204 0.000 0.794 182 F N 0.084 120.026 119.950 -0.014 0.000 2.404 182 F HA 0.127 4.654 4.527 -0.001 0.000 0.359 182 F C 1.768 177.556 175.800 -0.020 0.000 1.134 182 F CA -0.559 57.433 58.000 -0.014 0.000 1.160 182 F CB 0.131 39.125 39.000 -0.010 0.000 1.186 182 F HN -0.300 nan 8.300 nan 0.000 0.526 183 I N 2.993 123.641 120.570 0.129 0.000 2.423 183 I HA -0.215 3.954 4.170 -0.001 0.000 0.254 183 I C 2.260 178.420 176.117 0.072 0.000 1.151 183 I CA 0.983 62.327 61.300 0.073 0.000 1.421 183 I CB -0.713 37.312 38.000 0.040 0.000 1.079 183 I HN 0.479 nan 8.210 nan 0.000 0.431 184 V N 0.293 120.270 119.914 0.106 0.000 2.626 184 V HA -0.204 3.915 4.120 -0.001 0.000 0.252 184 V C 2.140 178.225 176.094 -0.015 0.000 1.067 184 V CA 1.308 63.641 62.300 0.054 0.000 1.081 184 V CB -0.219 31.647 31.823 0.072 0.000 0.686 184 V HN 0.299 nan 8.190 nan 0.000 0.468 185 M N -0.371 119.224 119.600 -0.008 0.000 2.561 185 M HA 0.170 4.650 4.480 -0.001 0.000 0.238 185 M C 0.826 177.062 176.300 -0.106 0.000 1.131 185 M CA 0.465 55.696 55.300 -0.115 0.000 1.046 185 M CB -0.585 31.962 32.600 -0.089 0.000 1.532 185 M HN 0.198 nan 8.290 nan 0.000 0.497 186 R N 2.079 122.556 120.500 -0.039 0.000 4.576 186 R HA 0.082 4.422 4.340 -0.001 0.000 0.185 186 R C -0.698 175.583 176.300 -0.031 0.000 1.837 186 R CA -0.001 56.088 56.100 -0.019 0.000 1.520 186 R CB -1.278 29.030 30.300 0.015 0.000 1.403 186 R HN 0.182 nan 8.270 nan 0.000 0.831 187 D N 1.062 121.416 120.400 -0.077 0.000 2.737 187 D HA -0.104 4.536 4.640 -0.001 0.000 0.238 187 D C -2.267 173.971 176.300 -0.104 0.000 1.157 187 D CA 0.523 54.483 54.000 -0.068 0.000 0.694 187 D CB -0.384 40.453 40.800 0.061 0.000 1.021 187 D HN 0.358 nan 8.370 nan 0.000 0.420 188 P HA -0.029 nan 4.420 nan 0.000 0.265 188 P C 0.249 177.462 177.300 -0.145 0.000 1.193 188 P CA -0.258 62.771 63.100 -0.118 0.000 0.765 188 P CB 0.818 32.450 31.700 -0.113 0.000 0.823 189 V N 4.815 124.662 119.914 -0.113 0.000 2.585 189 V HA -0.101 4.019 4.120 -0.001 0.000 0.296 189 V C 1.783 177.780 176.094 -0.161 0.000 1.035 189 V CA 0.433 62.650 62.300 -0.138 0.000 1.084 189 V CB 0.295 32.066 31.823 -0.087 0.000 0.953 189 V HN 0.477 nan 8.190 nan 0.000 0.483 190 L N 5.214 126.294 121.223 -0.238 0.000 2.269 190 L HA 0.335 4.675 4.340 -0.001 0.000 0.200 190 L C 0.015 176.687 176.870 -0.331 0.000 1.069 190 L CA 1.133 55.744 54.840 -0.382 0.000 0.804 190 L CB -0.276 41.441 42.059 -0.570 0.000 0.987 190 L HN 0.584 nan 8.230 nan 0.000 0.468 191 Y N -0.966 119.209 120.300 -0.208 0.000 2.492 191 Y HA 0.569 5.118 4.550 -0.001 0.000 0.346 191 Y C -0.354 175.517 175.900 -0.047 0.000 0.997 191 Y CA -1.267 56.791 58.100 -0.071 0.000 1.025 191 Y CB 1.535 40.031 38.460 0.059 0.000 1.263 191 Y HN -0.029 nan 8.280 nan 0.000 0.454 192 R N 1.187 121.770 120.500 0.139 0.000 2.837 192 R HA 0.714 5.053 4.340 -0.001 0.000 0.271 192 R C -1.748 174.606 176.300 0.091 0.000 0.993 192 R CA -0.927 55.218 56.100 0.076 0.000 0.931 192 R CB 0.927 31.247 30.300 0.035 0.000 1.206 192 R HN 0.544 nan 8.270 nan 0.000 0.474 193 I N 1.279 121.863 120.570 0.024 0.000 2.395 193 I HA 0.350 4.519 4.170 -0.001 0.000 0.289 193 I C -0.114 175.964 176.117 -0.066 0.000 1.023 193 I CA -0.319 60.945 61.300 -0.060 0.000 1.350 193 I CB 0.934 38.876 38.000 -0.098 0.000 1.409 193 I HN 0.366 nan 8.210 nan 0.000 0.507 194 K N 6.368 126.707 120.400 -0.101 0.000 2.656 194 K HA 0.290 4.609 4.320 -0.001 0.000 0.253 194 K C -1.201 175.371 176.600 -0.045 0.000 1.002 194 K CA -0.522 55.758 56.287 -0.012 0.000 0.880 194 K CB 1.566 34.117 32.500 0.084 0.000 1.232 194 K HN 0.347 nan 8.250 nan 0.000 0.456 195 F N 2.096 122.151 119.950 0.174 0.000 2.733 195 F HA 0.217 4.744 4.527 -0.001 0.000 0.344 195 F C 0.797 176.679 175.800 0.137 0.000 1.179 195 F CA -0.305 57.788 58.000 0.154 0.000 1.316 195 F CB 0.247 39.308 39.000 0.101 0.000 1.577 195 F HN 0.381 nan 8.300 nan 0.000 0.591 196 A N 0.172 123.139 122.820 0.246 0.000 2.356 196 A HA 0.504 4.824 4.320 -0.001 0.000 0.323 196 A C -0.251 177.449 177.584 0.195 0.000 1.119 196 A CA -0.744 51.390 52.037 0.162 0.000 0.790 196 A CB 0.856 19.885 19.000 0.048 0.000 1.273 196 A HN 0.353 nan 8.150 nan 0.000 0.452 197 E N 1.044 121.335 120.200 0.151 0.000 2.338 197 E HA 0.131 4.481 4.350 -0.001 0.000 0.272 197 E C -0.811 175.880 176.600 0.151 0.000 1.029 197 E CA -0.300 56.201 56.400 0.169 0.000 0.872 197 E CB 0.411 30.180 29.700 0.114 0.000 1.015 197 E HN 0.708 nan 8.360 nan 0.000 0.417 198 H N 3.186 122.322 119.070 0.111 0.000 2.467 198 H HA 0.057 4.612 4.556 -0.001 0.000 0.326 198 H C 0.556 175.827 175.328 -0.094 0.000 1.094 198 H CA -0.280 55.766 56.048 -0.003 0.000 1.253 198 H CB 0.892 30.748 29.762 0.157 0.000 1.439 198 H HN 0.763 nan 8.280 nan 0.000 0.479 199 H N 1.913 120.836 119.070 -0.244 0.000 2.518 199 H HA -0.078 4.477 4.556 -0.001 0.000 0.292 199 H C 0.797 176.117 175.328 -0.013 0.000 1.068 199 H CA 1.165 57.132 56.048 -0.136 0.000 1.275 199 H CB 0.388 30.009 29.762 -0.234 0.000 1.375 199 H HN 0.461 nan 8.280 nan 0.000 0.563 200 Q N 0.112 119.949 119.800 0.060 0.000 2.511 200 Q HA 0.072 4.412 4.340 -0.001 0.000 0.236 200 Q C 1.787 177.799 176.000 0.020 0.000 0.893 200 Q CA 1.608 57.414 55.803 0.004 0.000 0.947 200 Q CB 0.261 28.899 28.738 -0.168 0.000 1.110 200 Q HN 0.705 nan 8.270 nan 0.000 0.591 201 T N -1.945 112.682 114.554 0.122 0.000 3.122 201 T HA 0.410 4.759 4.350 -0.001 0.000 0.250 201 T C 1.151 175.955 174.700 0.174 0.000 1.067 201 T CA 0.552 62.718 62.100 0.110 0.000 0.966 201 T CB 0.294 69.284 68.868 0.202 0.000 1.002 201 T HN 0.381 nan 8.240 nan 0.000 0.542 202 G N 2.888 111.792 108.800 0.173 0.000 2.622 202 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.307 202 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.307 202 G C 0.349 175.362 174.900 0.189 0.000 1.226 202 G CA 0.315 45.501 45.100 0.142 0.000 0.997 202 G HN 0.525 nan 8.290 nan 0.000 0.551 203 N N 1.073 119.850 118.700 0.128 0.000 2.389 203 N HA 0.115 4.855 4.740 -0.001 0.000 0.260 203 N C 1.512 177.058 175.510 0.061 0.000 1.191 203 N CA 0.454 53.584 53.050 0.134 0.000 0.885 203 N CB 1.008 39.557 38.487 0.102 0.000 1.162 203 N HN 0.666 nan 8.380 nan 0.000 0.512 204 K N -0.232 120.186 120.400 0.029 0.000 2.228 204 K HA -0.027 4.292 4.320 -0.001 0.000 0.202 204 K C -0.415 175.944 176.600 -0.401 0.000 1.051 204 K CA 0.740 56.912 56.287 -0.193 0.000 0.960 204 K CB 0.334 32.702 32.500 -0.220 0.000 0.743 204 K HN 0.054 nan 8.250 nan 0.000 0.458 205 W N -0.611 120.630 121.300 -0.098 0.000 2.761 205 W HA 0.246 4.906 4.660 -0.001 0.000 0.340 205 W C 0.332 176.686 176.519 -0.275 0.000 1.072 205 W CA -1.200 55.962 57.345 -0.304 0.000 1.215 205 W CB 1.481 30.567 29.460 -0.623 0.000 1.420 205 W HN 0.066 nan 8.180 nan 0.000 0.519 206 C N 0.822 120.080 119.300 -0.071 0.000 3.525 206 C HA 0.611 5.070 4.460 -0.001 0.000 0.289 206 C C 0.086 174.949 174.990 -0.213 0.000 1.496 206 C CA -0.474 58.461 59.018 -0.139 0.000 1.804 206 C CB -1.744 25.848 27.740 -0.246 0.000 2.708 206 C HN 0.448 nan 8.230 nan 0.000 0.642 207 I N -1.678 118.737 120.570 -0.259 0.000 2.533 207 I HA 0.779 4.949 4.170 -0.001 0.000 0.290 207 I C -1.668 174.198 176.117 -0.418 0.000 1.056 207 I CA -0.887 60.338 61.300 -0.125 0.000 1.057 207 I CB 1.327 39.326 38.000 -0.003 0.000 1.240 207 I HN 0.002 nan 8.210 nan 0.000 0.423 208 Y N 5.445 125.727 120.300 -0.030 0.000 2.409 208 Y HA 0.627 5.176 4.550 -0.001 0.000 0.343 208 Y C -2.484 173.169 175.900 -0.411 0.000 0.973 208 Y CA -2.532 55.393 58.100 -0.292 0.000 1.064 208 Y CB 2.086 40.426 38.460 -0.200 0.000 1.207 208 Y HN 0.433 nan 8.280 nan 0.000 0.452 209 P HA 0.115 nan 4.420 nan 0.000 0.275 209 P C -0.477 176.668 177.300 -0.258 0.000 1.228 209 P CA -0.138 62.452 63.100 -0.850 0.000 0.786 209 P CB 0.946 32.282 31.700 -0.606 0.000 0.927 210 M N 2.306 121.794 119.600 -0.186 0.000 2.227 210 M HA 0.065 4.544 4.480 -0.001 0.000 0.316 210 M C 1.655 178.003 176.300 0.081 0.000 1.144 210 M CA -0.364 54.935 55.300 -0.002 0.000 1.121 210 M CB -0.399 32.200 32.600 -0.002 0.000 1.440 210 M HN 0.462 nan 8.290 nan 0.000 0.473 211 Y N 2.009 122.346 120.300 0.062 0.000 2.014 211 Y HA -0.318 4.231 4.550 -0.001 0.000 0.272 211 Y C 1.752 177.709 175.900 0.096 0.000 1.164 211 Y CA 2.481 60.636 58.100 0.091 0.000 1.114 211 Y CB -0.316 38.207 38.460 0.105 0.000 0.961 211 Y HN 0.685 nan 8.280 nan 0.000 0.489 212 D N -0.517 119.763 120.400 -0.200 0.000 2.133 212 D HA -0.231 4.408 4.640 -0.001 0.000 0.195 212 D C 2.056 178.254 176.300 -0.169 0.000 0.997 212 D CA 1.835 55.683 54.000 -0.255 0.000 0.840 212 D CB -0.568 40.261 40.800 0.049 0.000 0.947 212 D HN 0.430 nan 8.370 nan 0.000 0.452 213 F N 1.664 121.482 119.950 -0.220 0.000 2.163 213 F HA -0.128 4.398 4.527 -0.001 0.000 0.297 213 F C 2.445 178.099 175.800 -0.242 0.000 1.094 213 F CA 1.208 59.089 58.000 -0.198 0.000 1.290 213 F CB -0.539 38.363 39.000 -0.165 0.000 1.017 213 F HN -0.174 nan 8.300 nan 0.000 0.483 214 T N -1.429 113.012 114.554 -0.189 0.000 2.777 214 T HA -0.224 4.125 4.350 -0.001 0.000 0.266 214 T C 1.712 176.210 174.700 -0.337 0.000 1.040 214 T CA 1.957 63.909 62.100 -0.247 0.000 1.141 214 T CB -0.629 68.208 68.868 -0.051 0.000 0.868 214 T HN 0.414 nan 8.240 nan 0.000 0.444 215 H N 0.322 119.108 119.070 -0.474 0.000 2.321 215 H HA -0.099 4.456 4.556 -0.001 0.000 0.300 215 H C 2.622 177.621 175.328 -0.549 0.000 1.087 215 H CA 2.021 57.788 56.048 -0.468 0.000 1.319 215 H CB -0.383 29.007 29.762 -0.621 0.000 1.379 215 H HN 0.583 nan 8.280 nan 0.000 0.501 216 C N -0.270 118.609 119.300 -0.703 0.000 2.425 216 C HA -0.058 4.402 4.460 -0.001 0.000 0.277 216 C C 2.602 177.109 174.990 -0.805 0.000 1.280 216 C CA 0.566 58.835 59.018 -1.247 0.000 1.744 216 C CB -1.257 25.517 27.740 -1.610 0.000 1.989 216 C HN 0.543 nan 8.230 nan 0.000 0.491 217 I N 1.970 122.112 120.570 -0.713 0.000 2.353 217 I HA -0.132 4.037 4.170 -0.001 0.000 0.248 217 I C 2.776 178.541 176.117 -0.587 0.000 1.119 217 I CA 1.619 62.518 61.300 -0.668 0.000 1.417 217 I CB -0.415 37.141 38.000 -0.741 0.000 1.078 217 I HN 0.333 nan 8.210 nan 0.000 0.421 218 S N 0.443 115.819 115.700 -0.540 0.000 2.368 218 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 218 S C 1.621 175.948 174.600 -0.455 0.000 1.030 218 S CA 1.334 59.212 58.200 -0.535 0.000 0.999 218 S CB -0.304 62.724 63.200 -0.287 0.000 0.844 218 S HN 0.415 nan 8.310 nan 0.000 0.459 219 D N 1.682 121.842 120.400 -0.400 0.000 2.104 219 D HA -0.030 4.609 4.640 -0.001 0.000 0.194 219 D C 2.181 178.316 176.300 -0.276 0.000 0.994 219 D CA 1.346 55.182 54.000 -0.272 0.000 0.830 219 D CB -0.475 40.269 40.800 -0.093 0.000 0.959 219 D HN 0.369 nan 8.370 nan 0.000 0.452 220 A N 0.633 123.259 122.820 -0.324 0.000 1.877 220 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 220 A C 2.422 179.840 177.584 -0.277 0.000 1.186 220 A CA 0.925 52.788 52.037 -0.291 0.000 0.620 220 A CB -0.834 17.952 19.000 -0.357 0.000 0.822 220 A HN 0.229 nan 8.150 nan 0.000 0.443 221 L N -0.730 120.281 121.223 -0.352 0.000 2.191 221 L HA -0.147 4.192 4.340 -0.001 0.000 0.212 221 L C 2.143 178.862 176.870 -0.253 0.000 1.103 221 L CA 1.188 55.842 54.840 -0.311 0.000 0.769 221 L CB -0.417 41.364 42.059 -0.464 0.000 0.908 221 L HN 0.475 nan 8.230 nan 0.000 0.438 222 E N -0.256 119.774 120.200 -0.283 0.000 2.489 222 E HA 0.030 4.379 4.350 -0.001 0.000 0.193 222 E C 1.295 177.711 176.600 -0.307 0.000 1.057 222 E CA 0.428 56.690 56.400 -0.231 0.000 0.866 222 E CB 0.212 29.777 29.700 -0.224 0.000 0.916 222 E HN 0.512 nan 8.360 nan 0.000 0.500 223 G N 1.785 110.430 108.800 -0.257 0.000 2.153 223 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.252 223 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.252 223 G C 0.299 175.009 174.900 -0.317 0.000 0.994 223 G CA -0.235 44.733 45.100 -0.220 0.000 0.698 223 G HN 0.170 nan 8.290 nan 0.000 0.521 224 I N 1.648 122.004 120.570 -0.356 0.000 2.752 224 I HA 0.077 4.246 4.170 -0.001 0.000 0.289 224 I C 2.017 178.041 176.117 -0.155 0.000 1.197 224 I CA 1.595 62.727 61.300 -0.280 0.000 1.432 224 I CB 0.647 38.537 38.000 -0.183 0.000 1.359 224 I HN 0.403 nan 8.210 nan 0.000 0.571 225 T N 2.900 117.369 114.554 -0.140 0.000 3.034 225 T HA 0.114 4.463 4.350 -0.001 0.000 0.248 225 T C 0.615 175.019 174.700 -0.494 0.000 1.040 225 T CA 0.380 62.266 62.100 -0.356 0.000 1.107 225 T CB 0.170 68.638 68.868 -0.666 0.000 0.932 225 T HN 0.579 nan 8.240 nan 0.000 0.474 226 H N 1.132 120.176 119.070 -0.042 0.000 3.036 226 H HA 0.491 5.046 4.556 -0.001 0.000 0.295 226 H C -1.103 174.270 175.328 0.075 0.000 1.124 226 H CA -0.619 55.477 56.048 0.080 0.000 1.507 226 H CB 1.498 31.271 29.762 0.018 0.000 1.591 226 H HN 0.166 nan 8.280 nan 0.000 0.510 227 S N 4.539 120.319 115.700 0.134 0.000 2.422 227 S HA 0.275 4.744 4.470 -0.001 0.000 0.283 227 S C 0.113 174.798 174.600 0.141 0.000 1.163 227 S CA -0.688 57.573 58.200 0.101 0.000 1.054 227 S CB -0.311 62.917 63.200 0.046 0.000 0.967 227 S HN 0.417 nan 8.310 nan 0.000 0.499 228 L N 7.560 128.891 121.223 0.180 0.000 2.276 228 L HA 0.659 4.998 4.340 -0.001 0.000 0.286 228 L C 0.558 177.618 176.870 0.318 0.000 1.024 228 L CA -0.750 54.258 54.840 0.279 0.000 0.826 228 L CB 0.578 42.784 42.059 0.244 0.000 1.211 228 L HN 0.631 nan 8.230 nan 0.000 0.422 229 R N 1.285 121.915 120.500 0.216 0.000 3.003 229 R HA 0.655 4.995 4.340 -0.001 0.000 0.251 229 R C -0.637 175.463 176.300 -0.333 0.000 1.265 229 R CA -0.659 55.448 56.100 0.011 0.000 1.026 229 R CB 0.809 31.009 30.300 -0.167 0.000 1.307 229 R HN 0.407 nan 8.270 nan 0.000 0.475 230 T N -0.834 113.592 114.554 -0.213 0.000 2.918 230 T HA 0.258 4.608 4.350 -0.001 0.000 0.283 230 T C 1.455 176.111 174.700 -0.073 0.000 1.001 230 T CA -0.881 61.008 62.100 -0.352 0.000 1.041 230 T CB 0.700 69.425 68.868 -0.238 0.000 1.028 230 T HN 0.285 nan 8.240 nan 0.000 0.511 231 L N 1.231 122.367 121.223 -0.145 0.000 2.103 231 L HA -0.164 4.176 4.340 -0.001 0.000 0.215 231 L C 2.399 179.206 176.870 -0.105 0.000 1.080 231 L CA 1.818 56.612 54.840 -0.078 0.000 0.764 231 L CB -1.619 40.396 42.059 -0.074 0.000 0.890 231 L HN 0.784 nan 8.230 nan 0.000 0.435 232 E N -1.887 118.173 120.200 -0.234 0.000 2.401 232 E HA -0.170 4.179 4.350 -0.001 0.000 0.199 232 E C 1.658 178.001 176.600 -0.428 0.000 1.023 232 E CA 0.847 57.025 56.400 -0.370 0.000 0.859 232 E CB -0.434 28.931 29.700 -0.559 0.000 0.780 232 E HN 0.435 nan 8.360 nan 0.000 0.523 233 F N 0.952 120.862 119.950 -0.066 0.000 2.727 233 F HA 0.173 4.699 4.527 -0.001 0.000 0.302 233 F C 1.820 177.612 175.800 -0.013 0.000 1.097 233 F CA -0.052 57.928 58.000 -0.033 0.000 1.330 233 F CB -0.047 38.925 39.000 -0.046 0.000 1.084 233 F HN -0.056 nan 8.300 nan 0.000 0.578 234 Q N 0.541 120.406 119.800 0.108 0.000 2.077 234 Q HA -0.235 4.104 4.340 -0.001 0.000 0.206 234 Q C 1.456 177.514 176.000 0.097 0.000 0.989 234 Q CA 1.888 57.740 55.803 0.082 0.000 0.853 234 Q CB -0.307 28.466 28.738 0.060 0.000 0.907 234 Q HN 0.372 nan 8.270 nan 0.000 0.418 235 D N 0.350 120.826 120.400 0.126 0.000 2.149 235 D HA -0.133 4.506 4.640 -0.001 0.000 0.198 235 D C 1.510 177.863 176.300 0.089 0.000 0.990 235 D CA 0.780 54.891 54.000 0.185 0.000 0.839 235 D CB -0.388 40.537 40.800 0.208 0.000 0.948 235 D HN 0.304 nan 8.370 nan 0.000 0.460 236 N N 0.969 119.750 118.700 0.135 0.000 2.272 236 N HA -0.171 4.568 4.740 -0.001 0.000 0.185 236 N C 1.899 177.470 175.510 0.101 0.000 1.014 236 N CA 0.364 53.514 53.050 0.167 0.000 0.870 236 N CB -0.068 38.627 38.487 0.347 0.000 0.975 236 N HN 0.242 nan 8.380 nan 0.000 0.433 237 R N 1.551 122.070 120.500 0.031 0.000 2.119 237 R HA -0.159 4.180 4.340 -0.001 0.000 0.246 237 R C 1.949 178.235 176.300 -0.024 0.000 1.146 237 R CA 1.579 57.652 56.100 -0.046 0.000 0.962 237 R CB 0.026 30.261 30.300 -0.109 0.000 0.863 237 R HN 0.027 nan 8.270 nan 0.000 0.442 238 R N 0.204 120.613 120.500 -0.151 0.000 2.096 238 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 238 R C 2.102 178.391 176.300 -0.018 0.000 1.127 238 R CA 1.263 57.239 56.100 -0.206 0.000 0.968 238 R CB -0.707 29.211 30.300 -0.636 0.000 0.861 238 R HN 0.272 nan 8.270 nan 0.000 0.440 239 L N -0.785 120.445 121.223 0.011 0.000 2.131 239 L HA -0.052 4.287 4.340 -0.001 0.000 0.206 239 L C 1.882 178.882 176.870 0.217 0.000 1.087 239 L CA 1.523 56.420 54.840 0.096 0.000 0.767 239 L CB -0.680 41.402 42.059 0.038 0.000 0.917 239 L HN 0.169 nan 8.230 nan 0.000 0.441 240 Y N 0.887 121.204 120.300 0.028 0.000 2.070 240 Y HA -0.293 4.256 4.550 -0.001 0.000 0.280 240 Y C 2.258 178.157 175.900 -0.003 0.000 1.148 240 Y CA 2.320 60.408 58.100 -0.020 0.000 1.125 240 Y CB -0.432 37.996 38.460 -0.053 0.000 0.975 240 Y HN 0.331 nan 8.280 nan 0.000 0.492 241 D N -1.101 119.533 120.400 0.390 0.000 2.144 241 D HA -0.221 4.418 4.640 -0.001 0.000 0.200 241 D C 1.867 178.322 176.300 0.259 0.000 0.978 241 D CA 1.326 55.554 54.000 0.380 0.000 0.833 241 D CB -0.954 40.020 40.800 0.291 0.000 0.961 241 D HN 0.595 nan 8.370 nan 0.000 0.470 242 W N 1.786 123.118 121.300 0.052 0.000 2.333 242 W HA -0.244 4.415 4.660 -0.001 0.000 0.316 242 W C 2.135 178.651 176.519 -0.005 0.000 1.215 242 W CA 1.438 58.794 57.345 0.018 0.000 1.278 242 W CB -0.419 29.040 29.460 -0.001 0.000 1.154 242 W HN -0.248 nan 8.180 nan 0.000 0.486 243 V N 1.429 121.469 119.914 0.211 0.000 2.220 243 V HA -0.374 3.745 4.120 -0.001 0.000 0.246 243 V C 2.415 178.330 176.094 -0.299 0.000 1.049 243 V CA 2.316 64.593 62.300 -0.039 0.000 1.003 243 V CB -1.342 30.518 31.823 0.063 0.000 0.634 243 V HN 0.268 nan 8.190 nan 0.000 0.444 244 L N -0.113 120.920 121.223 -0.317 0.000 2.081 244 L HA -0.228 4.111 4.340 -0.001 0.000 0.212 244 L C 2.302 179.028 176.870 -0.241 0.000 1.080 244 L CA 1.627 56.233 54.840 -0.391 0.000 0.754 244 L CB -0.888 40.798 42.059 -0.622 0.000 0.893 244 L HN 0.384 nan 8.230 nan 0.000 0.433 245 D N -0.126 120.181 120.400 -0.154 0.000 2.219 245 D HA -0.117 4.522 4.640 -0.001 0.000 0.205 245 D C 1.551 177.693 176.300 -0.263 0.000 0.970 245 D CA 0.926 54.845 54.000 -0.134 0.000 0.851 245 D CB -0.098 40.637 40.800 -0.109 0.000 0.943 245 D HN 0.357 nan 8.370 nan 0.000 0.488 246 N N 0.274 118.716 118.700 -0.430 0.000 2.230 246 N HA 0.117 4.856 4.740 -0.001 0.000 0.202 246 N C 0.558 175.909 175.510 -0.266 0.000 1.119 246 N CA 0.012 52.804 53.050 -0.431 0.000 0.851 246 N CB 1.478 39.494 38.487 -0.785 0.000 0.990 246 N HN 0.372 nan 8.380 nan 0.000 0.497 247 I N -2.708 117.729 120.570 -0.221 0.000 3.067 247 I HA 0.445 4.614 4.170 -0.001 0.000 0.312 247 I C -0.405 175.677 176.117 -0.058 0.000 1.073 247 I CA -0.703 60.537 61.300 -0.100 0.000 1.016 247 I CB 1.779 39.663 38.000 -0.192 0.000 1.227 247 I HN -0.361 nan 8.210 nan 0.000 0.456 248 T N 4.612 119.221 114.554 0.092 0.000 2.863 248 T HA 0.558 4.908 4.350 -0.001 0.000 0.299 248 T C -0.429 174.335 174.700 0.106 0.000 0.973 248 T CA 0.156 62.303 62.100 0.078 0.000 0.994 248 T CB -0.560 68.358 68.868 0.083 0.000 0.961 248 T HN 0.454 nan 8.240 nan 0.000 0.552 249 I N 5.169 125.725 120.570 -0.022 0.000 2.644 249 I HA 0.346 4.515 4.170 -0.001 0.000 0.291 249 I C -1.652 174.428 176.117 -0.062 0.000 1.180 249 I CA -2.193 59.070 61.300 -0.061 0.000 1.040 249 I CB 2.858 40.710 38.000 -0.246 0.000 1.255 249 I HN 0.289 nan 8.210 nan 0.000 0.422 250 P HA 0.014 nan 4.420 nan 0.000 0.229 250 P C -0.042 177.244 177.300 -0.023 0.000 1.160 250 P CA 0.734 63.818 63.100 -0.026 0.000 0.777 250 P CB 0.117 31.808 31.700 -0.015 0.000 0.814 251 V N -2.568 117.318 119.914 -0.048 0.000 2.914 251 V HA 0.563 4.682 4.120 -0.001 0.000 0.314 251 V C -1.183 174.901 176.094 -0.016 0.000 1.084 251 V CA -1.093 61.197 62.300 -0.018 0.000 0.963 251 V CB 2.034 33.839 31.823 -0.031 0.000 1.025 251 V HN 0.025 nan 8.190 nan 0.000 0.432 252 H N 3.572 122.617 119.070 -0.042 0.000 2.675 252 H HA 0.602 5.157 4.556 -0.001 0.000 0.258 252 H C -2.753 172.577 175.328 0.004 0.000 1.271 252 H CA -1.823 54.210 56.048 -0.024 0.000 1.462 252 H CB 1.412 31.156 29.762 -0.030 0.000 1.467 252 H HN 0.670 nan 8.280 nan 0.000 0.501 253 P HA 0.007 nan 4.420 nan 0.000 0.266 253 P C -0.436 176.914 177.300 0.085 0.000 1.195 253 P CA -0.166 62.980 63.100 0.076 0.000 0.768 253 P CB 0.668 32.398 31.700 0.051 0.000 0.838 254 R N 2.573 123.055 120.500 -0.029 0.000 2.428 254 R HA 0.292 4.631 4.340 -0.001 0.000 0.294 254 R C 0.490 176.585 176.300 -0.342 0.000 1.000 254 R CA -0.501 55.499 56.100 -0.166 0.000 0.960 254 R CB 0.819 31.062 30.300 -0.095 0.000 1.076 254 R HN 0.546 nan 8.270 nan 0.000 0.475 255 Q N 1.985 121.423 119.800 -0.604 0.000 2.257 255 Q HA 0.478 4.817 4.340 -0.001 0.000 0.262 255 Q C -1.065 174.443 176.000 -0.820 0.000 0.997 255 Q CA -0.633 54.836 55.803 -0.557 0.000 0.873 255 Q CB 1.732 30.134 28.738 -0.559 0.000 1.312 255 Q HN 0.470 nan 8.270 nan 0.000 0.450 256 Y N -0.338 119.987 120.300 0.040 0.000 2.479 256 Y HA 0.357 4.907 4.550 -0.001 0.000 0.338 256 Y C -0.918 175.097 175.900 0.192 0.000 1.055 256 Y CA -0.909 57.278 58.100 0.144 0.000 1.023 256 Y CB 2.344 40.892 38.460 0.147 0.000 1.287 256 Y HN 0.565 nan 8.280 nan 0.000 0.447 257 E N 3.327 123.743 120.200 0.359 0.000 2.183 257 E HA 0.584 4.933 4.350 -0.001 0.000 0.271 257 E C -1.205 175.635 176.600 0.400 0.000 0.919 257 E CA -0.704 55.837 56.400 0.235 0.000 0.781 257 E CB 1.450 31.212 29.700 0.103 0.000 1.140 257 E HN 0.376 nan 8.360 nan 0.000 0.402 258 F N -0.892 119.234 119.950 0.294 0.000 2.575 258 F HA 0.720 5.247 4.527 -0.001 0.000 0.330 258 F C 0.226 176.135 175.800 0.180 0.000 1.056 258 F CA -1.575 56.614 58.000 0.315 0.000 0.964 258 F CB 0.716 39.877 39.000 0.268 0.000 1.258 258 F HN 0.269 nan 8.300 nan 0.000 0.484 259 S N 0.805 116.655 115.700 0.250 0.000 2.576 259 S HA 0.435 4.904 4.470 -0.001 0.000 0.276 259 S C -0.180 174.496 174.600 0.126 0.000 1.339 259 S CA -1.065 57.193 58.200 0.096 0.000 1.039 259 S CB 0.533 63.790 63.200 0.095 0.000 0.902 259 S HN 0.906 nan 8.310 nan 0.000 0.516 260 R N 1.158 121.670 120.500 0.020 0.000 2.531 260 R HA 0.563 4.902 4.340 -0.001 0.000 0.273 260 R C -0.324 176.016 176.300 0.067 0.000 1.070 260 R CA -1.007 55.130 56.100 0.060 0.000 1.112 260 R CB 0.176 30.476 30.300 -0.001 0.000 1.049 260 R HN 0.567 nan 8.270 nan 0.000 0.508 261 L N 1.733 123.005 121.223 0.082 0.000 2.426 261 L HA 0.250 4.589 4.340 -0.001 0.000 0.271 261 L C -0.878 175.981 176.870 -0.019 0.000 1.169 261 L CA 0.359 55.225 54.840 0.044 0.000 0.836 261 L CB 0.589 42.691 42.059 0.071 0.000 1.112 261 L HN 0.663 nan 8.230 nan 0.000 0.465 262 N N 5.203 123.898 118.700 -0.008 0.000 2.260 262 N HA 0.454 5.194 4.740 -0.001 0.000 0.293 262 N C -1.693 173.820 175.510 0.005 0.000 1.058 262 N CA -0.482 52.546 53.050 -0.038 0.000 0.824 262 N CB 2.416 40.874 38.487 -0.049 0.000 1.551 262 N HN 0.568 nan 8.380 nan 0.000 0.475 263 L N 1.361 122.579 121.223 -0.008 0.000 2.365 263 L HA 0.391 4.730 4.340 -0.001 0.000 0.273 263 L C 0.246 177.122 176.870 0.011 0.000 1.000 263 L CA -0.624 54.239 54.840 0.038 0.000 0.819 263 L CB 1.832 43.913 42.059 0.037 0.000 1.284 263 L HN 0.406 nan 8.230 nan 0.000 0.418 264 E N 3.192 123.410 120.200 0.031 0.000 2.398 264 E HA 0.016 4.366 4.350 -0.001 0.000 0.263 264 E C -0.856 175.785 176.600 0.069 0.000 1.046 264 E CA 0.128 56.498 56.400 -0.049 0.000 0.908 264 E CB 0.410 30.090 29.700 -0.032 0.000 0.963 264 E HN 0.484 nan 8.360 nan 0.000 0.431 265 Y N -1.385 118.952 120.300 0.061 0.000 4.569 265 Y HA -0.276 4.273 4.550 -0.001 0.000 0.237 265 Y C 0.275 176.323 175.900 0.247 0.000 1.090 265 Y CA 1.237 59.420 58.100 0.139 0.000 2.052 265 Y CB -1.763 36.772 38.460 0.124 0.000 1.621 265 Y HN 0.559 nan 8.280 nan 0.000 0.682 266 T N -1.413 113.260 114.554 0.198 0.000 2.749 266 T HA 0.698 5.048 4.350 -0.001 0.000 0.310 266 T C -0.926 173.754 174.700 -0.033 0.000 1.496 266 T CA -0.233 62.017 62.100 0.250 0.000 1.006 266 T CB 0.958 69.957 68.868 0.219 0.000 1.457 266 T HN 0.596 nan 8.240 nan 0.000 0.497 267 V N 0.962 120.855 119.914 -0.035 0.000 2.834 267 V HA 0.906 5.025 4.120 -0.001 0.000 0.313 267 V C -0.116 175.911 176.094 -0.111 0.000 1.060 267 V CA -0.852 61.341 62.300 -0.179 0.000 0.989 267 V CB 1.562 33.207 31.823 -0.296 0.000 1.041 267 V HN 0.845 nan 8.190 nan 0.000 0.459 268 M N 3.562 123.068 119.600 -0.157 0.000 3.404 268 M HA 0.457 4.936 4.480 -0.001 0.000 0.398 268 M C -0.265 175.991 176.300 -0.074 0.000 1.599 268 M CA 0.080 55.247 55.300 -0.223 0.000 0.696 268 M CB 0.221 32.616 32.600 -0.341 0.000 1.427 268 M HN 1.100 nan 8.290 nan 0.000 0.502 269 S N -1.895 113.845 115.700 0.066 0.000 2.547 269 S HA 0.526 4.995 4.470 -0.001 0.000 0.281 269 S C 0.567 175.297 174.600 0.218 0.000 1.118 269 S CA -0.886 57.403 58.200 0.147 0.000 0.947 269 S CB 1.915 65.121 63.200 0.010 0.000 1.053 269 S HN 0.376 nan 8.310 nan 0.000 0.482 270 K N 0.961 121.522 120.400 0.268 0.000 2.152 270 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 270 K C 2.183 178.940 176.600 0.262 0.000 1.048 270 K CA 0.814 57.295 56.287 0.325 0.000 0.933 270 K CB -0.165 32.466 32.500 0.218 0.000 0.721 270 K HN 0.536 nan 8.250 nan 0.000 0.447 271 R N 2.062 122.652 120.500 0.149 0.000 2.073 271 R HA -0.120 4.220 4.340 -0.001 0.000 0.234 271 R C 1.655 178.006 176.300 0.085 0.000 1.134 271 R CA 1.696 57.861 56.100 0.108 0.000 0.952 271 R CB -0.034 30.301 30.300 0.059 0.000 0.850 271 R HN 0.154 nan 8.270 nan 0.000 0.433 272 K N 0.093 120.496 120.400 0.005 0.000 2.167 272 K HA 0.009 4.329 4.320 -0.001 0.000 0.203 272 K C 2.259 178.906 176.600 0.078 0.000 1.052 272 K CA 0.756 57.005 56.287 -0.062 0.000 0.956 272 K CB -0.016 32.172 32.500 -0.520 0.000 0.735 272 K HN 0.155 nan 8.250 nan 0.000 0.451 273 L N 1.412 122.657 121.223 0.036 0.000 2.056 273 L HA -0.189 4.150 4.340 -0.001 0.000 0.207 273 L C 2.412 179.067 176.870 -0.358 0.000 1.078 273 L CA 0.893 55.695 54.840 -0.063 0.000 0.749 273 L CB -0.511 41.572 42.059 0.039 0.000 0.901 273 L HN 0.287 nan 8.230 nan 0.000 0.433 274 N N 0.674 119.198 118.700 -0.293 0.000 2.166 274 N HA -0.209 4.531 4.740 -0.001 0.000 0.186 274 N C 1.919 177.354 175.510 -0.124 0.000 1.019 274 N CA 1.300 54.165 53.050 -0.308 0.000 0.856 274 N CB -0.039 38.563 38.487 0.191 0.000 0.993 274 N HN 0.166 nan 8.380 nan 0.000 0.426 275 L N 1.437 122.683 121.223 0.038 0.000 2.046 275 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 275 L C 2.227 179.135 176.870 0.063 0.000 1.077 275 L CA 1.234 56.139 54.840 0.108 0.000 0.747 275 L CB -0.708 41.511 42.059 0.267 0.000 0.896 275 L HN 0.176 nan 8.230 nan 0.000 0.432 276 L N -1.874 119.391 121.223 0.070 0.000 2.191 276 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 276 L C 2.259 179.069 176.870 -0.100 0.000 1.103 276 L CA 0.721 55.590 54.840 0.048 0.000 0.769 276 L CB -0.523 41.580 42.059 0.073 0.000 0.908 276 L HN 0.141 nan 8.230 nan 0.000 0.438 277 V N -1.359 118.402 119.914 -0.255 0.000 2.379 277 V HA -0.184 3.935 4.120 -0.001 0.000 0.243 277 V C 2.448 178.450 176.094 -0.153 0.000 1.035 277 V CA 2.052 64.170 62.300 -0.304 0.000 1.035 277 V CB -0.597 30.851 31.823 -0.625 0.000 0.673 277 V HN 0.400 nan 8.190 nan 0.000 0.457 278 T N -0.094 114.402 114.554 -0.097 0.000 2.788 278 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 278 T C 1.256 175.908 174.700 -0.080 0.000 1.044 278 T CA 1.605 63.682 62.100 -0.038 0.000 1.139 278 T CB -0.314 68.564 68.868 0.017 0.000 0.867 278 T HN 0.399 nan 8.240 nan 0.000 0.454 279 D N 0.791 121.117 120.400 -0.124 0.000 2.319 279 D HA 0.104 4.744 4.640 -0.001 0.000 0.230 279 D C 0.339 176.344 176.300 -0.493 0.000 1.094 279 D CA 0.079 53.925 54.000 -0.257 0.000 0.856 279 D CB -0.029 40.655 40.800 -0.194 0.000 0.915 279 D HN 0.028 nan 8.370 nan 0.000 0.517 280 K N -0.144 120.083 120.400 -0.288 0.000 3.156 280 K HA -0.238 4.081 4.320 -0.001 0.000 0.266 280 K C -0.116 176.320 176.600 -0.273 0.000 0.966 280 K CA 0.452 56.598 56.287 -0.236 0.000 0.719 280 K CB -2.445 29.949 32.500 -0.176 0.000 1.333 280 K HN 0.585 nan 8.250 nan 0.000 0.468 281 H N -1.904 117.126 119.070 -0.067 0.000 2.622 281 H HA 0.151 4.706 4.556 -0.001 0.000 0.269 281 H C 0.747 176.031 175.328 -0.073 0.000 0.977 281 H CA 0.315 56.320 56.048 -0.071 0.000 1.179 281 H CB 0.753 30.463 29.762 -0.087 0.000 1.458 281 H HN 0.230 nan 8.280 nan 0.000 0.531 282 V N -2.768 117.152 119.914 0.010 0.000 3.078 282 V HA 0.200 4.319 4.120 -0.001 0.000 0.311 282 V C 0.643 176.719 176.094 -0.031 0.000 1.138 282 V CA -1.040 61.251 62.300 -0.016 0.000 1.007 282 V CB 2.539 34.329 31.823 -0.055 0.000 1.045 282 V HN 0.083 nan 8.190 nan 0.000 0.432 283 E N 1.655 121.854 120.200 -0.003 0.000 2.110 283 E HA 0.234 4.583 4.350 -0.001 0.000 0.193 283 E C 0.890 177.474 176.600 -0.027 0.000 0.988 283 E CA 1.595 58.000 56.400 0.008 0.000 0.804 283 E CB 0.126 29.861 29.700 0.059 0.000 0.745 283 E HN 1.074 nan 8.360 nan 0.000 0.458 284 G N -1.558 107.203 108.800 -0.065 0.000 2.430 284 G HA2 0.109 4.068 3.960 -0.001 0.000 0.300 284 G HA3 0.109 4.068 3.960 -0.001 0.000 0.300 284 G C -1.006 173.802 174.900 -0.153 0.000 1.330 284 G CA -0.711 44.334 45.100 -0.092 0.000 0.813 284 G HN 0.083 nan 8.290 nan 0.000 0.487 285 W N 0.599 121.733 121.300 -0.277 0.000 2.325 285 W HA -0.030 4.629 4.660 -0.001 0.000 0.299 285 W C 2.205 178.544 176.519 -0.301 0.000 1.215 285 W CA 1.769 58.881 57.345 -0.388 0.000 1.244 285 W CB 0.144 29.001 29.460 -1.004 0.000 1.140 285 W HN 0.613 nan 8.180 nan 0.000 0.523 286 D N -0.576 119.781 120.400 -0.072 0.000 2.336 286 D HA -0.068 4.571 4.640 -0.001 0.000 0.228 286 D C 0.082 176.337 176.300 -0.076 0.000 1.120 286 D CA 0.161 54.124 54.000 -0.061 0.000 0.839 286 D CB -0.857 39.909 40.800 -0.057 0.000 0.932 286 D HN 0.105 nan 8.370 nan 0.000 0.509 287 D N 1.681 122.037 120.400 -0.073 0.000 2.488 287 D HA -0.027 4.613 4.640 -0.001 0.000 0.238 287 D C -1.477 174.741 176.300 -0.136 0.000 1.138 287 D CA -1.324 52.632 54.000 -0.075 0.000 0.873 287 D CB 1.909 42.677 40.800 -0.053 0.000 1.183 287 D HN -0.076 nan 8.370 nan 0.000 0.458 288 P HA -0.085 nan 4.420 nan 0.000 0.223 288 P C 0.817 177.856 177.300 -0.434 0.000 1.144 288 P CA 1.027 63.867 63.100 -0.434 0.000 0.783 288 P CB 0.208 31.410 31.700 -0.831 0.000 0.771 289 R N -2.294 118.033 120.500 -0.287 0.000 2.276 289 R HA 0.171 4.511 4.340 -0.001 0.000 0.196 289 R C 0.769 177.019 176.300 -0.083 0.000 0.961 289 R CA 0.162 56.174 56.100 -0.147 0.000 1.024 289 R CB -0.124 30.153 30.300 -0.039 0.000 0.940 289 R HN 0.205 nan 8.270 nan 0.000 0.480 290 M N 2.084 121.637 119.600 -0.078 0.000 2.233 290 M HA 0.113 4.592 4.480 -0.001 0.000 0.350 290 M C -1.621 174.671 176.300 -0.013 0.000 1.176 290 M CA -2.059 53.228 55.300 -0.021 0.000 1.150 290 M CB 0.660 33.253 32.600 -0.013 0.000 1.530 290 M HN -0.167 nan 8.290 nan 0.000 0.459 291 P HA 0.011 nan 4.420 nan 0.000 0.253 291 P C 0.155 177.509 177.300 0.090 0.000 1.281 291 P CA 0.255 63.363 63.100 0.013 0.000 0.792 291 P CB -0.550 31.161 31.700 0.018 0.000 1.193 292 T N -2.538 112.100 114.554 0.140 0.000 2.802 292 T HA 0.218 4.567 4.350 -0.001 0.000 0.305 292 T C 1.534 176.318 174.700 0.140 0.000 1.053 292 T CA -0.483 61.755 62.100 0.229 0.000 1.058 292 T CB 0.706 69.734 68.868 0.266 0.000 0.988 292 T HN -0.159 nan 8.240 nan 0.000 0.539 293 I N 1.308 121.990 120.570 0.187 0.000 2.252 293 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 293 I C 2.923 179.030 176.117 -0.017 0.000 1.102 293 I CA 1.579 62.959 61.300 0.134 0.000 1.385 293 I CB -0.474 37.653 38.000 0.211 0.000 1.064 293 I HN 0.892 nan 8.210 nan 0.000 0.414 294 S N 0.687 116.396 115.700 0.016 0.000 2.402 294 S HA -0.060 4.409 4.470 -0.001 0.000 0.229 294 S C 2.144 176.668 174.600 -0.127 0.000 1.021 294 S CA 0.890 59.030 58.200 -0.099 0.000 0.974 294 S CB -1.074 62.171 63.200 0.075 0.000 0.800 294 S HN 0.463 nan 8.310 nan 0.000 0.484 295 G N 2.054 110.823 108.800 -0.051 0.000 2.402 295 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.216 295 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.216 295 G C 1.449 176.282 174.900 -0.112 0.000 1.162 295 G CA 0.812 45.863 45.100 -0.081 0.000 0.777 295 G HN 0.495 nan 8.290 nan 0.000 0.539 296 L N -0.095 121.066 121.223 -0.103 0.000 2.046 296 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 296 L C 2.914 179.788 176.870 0.006 0.000 1.077 296 L CA 1.316 56.106 54.840 -0.083 0.000 0.747 296 L CB -0.354 41.600 42.059 -0.176 0.000 0.896 296 L HN 0.208 nan 8.230 nan 0.000 0.432 297 R N 0.508 120.889 120.500 -0.197 0.000 2.091 297 R HA -0.216 4.123 4.340 -0.001 0.000 0.238 297 R C 2.463 178.659 176.300 -0.172 0.000 1.136 297 R CA 1.695 57.572 56.100 -0.372 0.000 0.959 297 R CB -0.182 29.441 30.300 -1.128 0.000 0.856 297 R HN 0.202 nan 8.270 nan 0.000 0.437 298 R N -0.042 120.356 120.500 -0.171 0.000 2.148 298 R HA -0.100 4.239 4.340 -0.001 0.000 0.223 298 R C 2.171 178.425 176.300 -0.078 0.000 1.088 298 R CA 1.182 57.211 56.100 -0.119 0.000 0.985 298 R CB -0.065 30.158 30.300 -0.129 0.000 0.880 298 R HN 0.033 nan 8.270 nan 0.000 0.451 299 R N -0.406 120.052 120.500 -0.069 0.000 2.189 299 R HA -0.016 4.323 4.340 -0.001 0.000 0.218 299 R C 0.938 177.252 176.300 0.023 0.000 1.074 299 R CA 1.612 57.677 56.100 -0.059 0.000 0.991 299 R CB -0.068 30.229 30.300 -0.004 0.000 0.883 299 R HN 0.427 nan 8.270 nan 0.000 0.457 300 G N -2.765 106.072 108.800 0.061 0.000 2.192 300 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.193 300 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.193 300 G C -0.436 174.479 174.900 0.025 0.000 0.999 300 G CA -0.092 45.029 45.100 0.036 0.000 0.659 300 G HN 0.226 nan 8.290 nan 0.000 0.503 301 Y N 2.347 122.673 120.300 0.043 0.000 2.480 301 Y HA 0.436 4.985 4.550 -0.001 0.000 0.338 301 Y C 1.616 177.642 175.900 0.211 0.000 1.220 301 Y CA 0.949 59.097 58.100 0.080 0.000 1.430 301 Y CB 0.801 39.309 38.460 0.081 0.000 1.311 301 Y HN 0.266 nan 8.280 nan 0.000 0.575 302 T N -1.210 113.466 114.554 0.203 0.000 2.928 302 T HA 0.546 4.895 4.350 -0.001 0.000 0.284 302 T C 1.033 175.695 174.700 -0.064 0.000 1.008 302 T CA -0.440 61.715 62.100 0.092 0.000 1.057 302 T CB 1.614 70.452 68.868 -0.050 0.000 1.018 302 T HN 0.741 nan 8.240 nan 0.000 0.493 303 A N 1.648 124.139 122.820 -0.549 0.000 2.019 303 A HA 0.225 4.544 4.320 -0.001 0.000 0.219 303 A C 2.475 179.835 177.584 -0.374 0.000 1.164 303 A CA 1.488 53.023 52.037 -0.835 0.000 0.644 303 A CB -1.271 16.927 19.000 -1.337 0.000 0.805 303 A HN 1.218 nan 8.150 nan 0.000 0.449 304 A N 0.084 122.741 122.820 -0.271 0.000 2.016 304 A HA 0.045 4.364 4.320 -0.001 0.000 0.217 304 A C 2.397 179.941 177.584 -0.066 0.000 1.162 304 A CA 1.733 53.669 52.037 -0.168 0.000 0.662 304 A CB -0.651 18.256 19.000 -0.156 0.000 0.812 304 A HN 0.896 nan 8.150 nan 0.000 0.450 305 S N -0.106 115.579 115.700 -0.024 0.000 2.414 305 S HA -0.009 4.460 4.470 -0.001 0.000 0.227 305 S C 1.812 176.490 174.600 0.130 0.000 1.022 305 S CA 1.094 59.328 58.200 0.057 0.000 0.958 305 S CB -0.582 62.664 63.200 0.077 0.000 0.797 305 S HN 0.465 nan 8.310 nan 0.000 0.493 306 I N 1.384 122.024 120.570 0.115 0.000 2.286 306 I HA -0.051 4.119 4.170 -0.001 0.000 0.245 306 I C 3.044 179.265 176.117 0.174 0.000 1.104 306 I CA 0.872 62.265 61.300 0.156 0.000 1.397 306 I CB -0.266 37.822 38.000 0.146 0.000 1.072 306 I HN 0.226 nan 8.210 nan 0.000 0.417 307 R N 0.512 121.060 120.500 0.081 0.000 2.096 307 R HA -0.218 4.121 4.340 -0.001 0.000 0.235 307 R C 2.206 178.561 176.300 0.092 0.000 1.127 307 R CA 1.515 57.666 56.100 0.085 0.000 0.968 307 R CB -0.274 30.028 30.300 0.005 0.000 0.861 307 R HN 0.275 nan 8.270 nan 0.000 0.440 308 E N 0.806 121.059 120.200 0.087 0.000 2.031 308 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 308 E C 1.589 178.275 176.600 0.143 0.000 0.994 308 E CA 1.312 57.766 56.400 0.089 0.000 0.800 308 E CB -0.407 29.340 29.700 0.078 0.000 0.752 308 E HN 0.219 nan 8.360 nan 0.000 0.447 309 F N 0.691 120.661 119.950 0.034 0.000 2.065 309 F HA -0.281 4.245 4.527 -0.002 0.000 0.298 309 F C 2.316 178.135 175.800 0.031 0.000 1.112 309 F CA 1.930 59.953 58.000 0.039 0.000 1.212 309 F CB -0.880 38.151 39.000 0.051 0.000 0.975 309 F HN 0.185 nan 8.300 nan 0.000 0.476 310 C N 0.871 120.225 119.300 0.090 0.000 2.413 310 C HA -0.200 4.259 4.460 -0.001 0.000 0.277 310 C C 2.811 177.743 174.990 -0.096 0.000 1.265 310 C CA 1.538 60.523 59.018 -0.054 0.000 1.752 310 C CB -1.290 26.487 27.740 0.062 0.000 1.998 310 C HN 0.561 nan 8.230 nan 0.000 0.489 311 K N 0.540 120.920 120.400 -0.033 0.000 2.057 311 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 311 K C 2.302 178.861 176.600 -0.068 0.000 1.050 311 K CA 1.263 57.528 56.287 -0.037 0.000 0.935 311 K CB -0.182 32.316 32.500 -0.003 0.000 0.715 311 K HN 0.464 nan 8.250 nan 0.000 0.439 312 R N 0.763 121.213 120.500 -0.083 0.000 2.075 312 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 312 R C 2.464 178.674 176.300 -0.150 0.000 1.126 312 R CA 1.758 57.803 56.100 -0.092 0.000 0.963 312 R CB -0.519 29.749 30.300 -0.053 0.000 0.858 312 R HN 0.430 nan 8.270 nan 0.000 0.435 313 I N -1.571 118.825 120.570 -0.289 0.000 2.614 313 I HA 0.120 4.290 4.170 -0.001 0.000 0.258 313 I C 0.993 177.025 176.117 -0.142 0.000 1.189 313 I CA 0.718 61.853 61.300 -0.274 0.000 1.462 313 I CB -0.831 36.892 38.000 -0.460 0.000 1.092 313 I HN 0.184 nan 8.210 nan 0.000 0.442 314 G N 0.939 109.669 108.800 -0.117 0.000 2.829 314 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.628 314 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.628 314 G C -0.672 174.206 174.900 -0.036 0.000 1.412 314 G CA -0.350 44.714 45.100 -0.059 0.000 0.864 314 G HN 0.311 nan 8.290 nan 0.000 0.544 315 V N 2.015 121.930 119.914 0.002 0.000 2.376 315 V HA 0.805 4.924 4.120 -0.001 0.000 0.287 315 V C 0.738 176.995 176.094 0.272 0.000 1.015 315 V CA 0.553 62.884 62.300 0.051 0.000 0.834 315 V CB 0.912 32.652 31.823 -0.139 0.000 1.001 315 V HN 1.716 nan 8.190 nan 0.000 0.428 316 T N 1.353 116.108 114.554 0.334 0.000 2.626 316 T HA 0.519 4.868 4.350 -0.001 0.000 0.279 316 T C 0.070 174.915 174.700 0.242 0.000 0.983 316 T CA -0.698 61.586 62.100 0.307 0.000 1.059 316 T CB 2.235 71.170 68.868 0.112 0.000 1.396 316 T HN 0.316 nan 8.240 nan 0.000 0.519 317 K N 0.467 120.858 120.400 -0.016 0.000 2.455 317 K HA 0.252 4.571 4.320 -0.001 0.000 0.206 317 K C -0.053 176.532 176.600 -0.025 0.000 1.027 317 K CA -0.140 56.120 56.287 -0.045 0.000 1.113 317 K CB 0.524 32.897 32.500 -0.212 0.000 0.850 317 K HN 0.483 nan 8.250 nan 0.000 0.503 318 Q N 1.114 120.916 119.800 0.004 0.000 2.293 318 Q HA 0.191 4.530 4.340 -0.001 0.000 0.261 318 Q C -0.861 175.143 176.000 0.007 0.000 0.960 318 Q CA -0.740 55.060 55.803 -0.005 0.000 0.882 318 Q CB 1.668 30.402 28.738 -0.008 0.000 1.275 318 Q HN 0.050 nan 8.270 nan 0.000 0.445 319 D N 2.508 122.903 120.400 -0.008 0.000 2.443 319 D HA 0.085 4.724 4.640 -0.001 0.000 0.239 319 D C -0.258 176.037 176.300 -0.008 0.000 1.136 319 D CA 0.725 54.718 54.000 -0.012 0.000 0.879 319 D CB 0.602 41.386 40.800 -0.026 0.000 1.195 319 D HN 0.636 nan 8.370 nan 0.000 0.443 320 N N -1.745 116.951 118.700 -0.006 0.000 2.823 320 N HA 0.437 5.177 4.740 -0.001 0.000 0.251 320 N C -1.761 173.744 175.510 -0.008 0.000 1.392 320 N CA -0.816 52.231 53.050 -0.005 0.000 0.864 320 N CB 1.567 40.056 38.487 0.005 0.000 1.481 320 N HN 0.022 nan 8.380 nan 0.000 0.508 321 T N 1.049 115.601 114.554 -0.004 0.000 3.066 321 T HA 0.398 4.747 4.350 -0.001 0.000 0.318 321 T C -0.611 174.105 174.700 0.026 0.000 0.979 321 T CA -0.306 61.793 62.100 -0.002 0.000 1.025 321 T CB 0.184 69.035 68.868 -0.029 0.000 1.002 321 T HN 0.448 nan 8.240 nan 0.000 0.453 322 I N 2.640 123.247 120.570 0.062 0.000 2.882 322 I HA 0.205 4.375 4.170 -0.001 0.000 0.286 322 I C 0.946 177.139 176.117 0.127 0.000 1.139 322 I CA -0.175 61.190 61.300 0.109 0.000 1.379 322 I CB 0.513 38.630 38.000 0.194 0.000 1.410 322 I HN 0.550 nan 8.210 nan 0.000 0.594 323 E N 4.099 124.385 120.200 0.142 0.000 2.277 323 E HA 0.172 4.522 4.350 -0.001 0.000 0.274 323 E C 0.580 177.281 176.600 0.168 0.000 1.022 323 E CA -0.700 55.788 56.400 0.146 0.000 0.853 323 E CB 0.948 30.724 29.700 0.126 0.000 1.086 323 E HN 0.435 nan 8.360 nan 0.000 0.397 324 M N 1.321 121.022 119.600 0.168 0.000 2.144 324 M HA -0.201 4.278 4.480 -0.001 0.000 0.260 324 M C 2.039 178.405 176.300 0.110 0.000 1.067 324 M CA 1.545 56.921 55.300 0.127 0.000 1.095 324 M CB -1.269 31.410 32.600 0.131 0.000 1.365 324 M HN 0.764 nan 8.290 nan 0.000 0.406 325 A N -0.864 122.026 122.820 0.117 0.000 1.948 325 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 325 A C 2.490 180.148 177.584 0.123 0.000 1.177 325 A CA 2.414 54.514 52.037 0.104 0.000 0.636 325 A CB -0.969 18.088 19.000 0.096 0.000 0.815 325 A HN 0.515 nan 8.150 nan 0.000 0.449 326 S N -0.868 114.931 115.700 0.165 0.000 2.356 326 S HA -0.088 4.381 4.470 -0.001 0.000 0.223 326 S C 1.940 176.702 174.600 0.270 0.000 1.032 326 S CA 1.298 59.637 58.200 0.231 0.000 1.005 326 S CB -0.422 62.959 63.200 0.302 0.000 0.867 326 S HN 0.531 nan 8.310 nan 0.000 0.449 327 L N 1.008 122.330 121.223 0.164 0.000 2.046 327 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 327 L C 2.414 179.328 176.870 0.074 0.000 1.077 327 L CA 1.905 56.651 54.840 -0.157 0.000 0.747 327 L CB -0.530 41.256 42.059 -0.455 0.000 0.896 327 L HN 0.466 nan 8.230 nan 0.000 0.432 328 E N -0.925 119.338 120.200 0.105 0.000 2.077 328 E HA -0.242 4.108 4.350 -0.001 0.000 0.193 328 E C 2.206 178.846 176.600 0.067 0.000 0.989 328 E CA 1.404 57.868 56.400 0.106 0.000 0.800 328 E CB -0.137 29.616 29.700 0.088 0.000 0.746 328 E HN 0.375 nan 8.360 nan 0.000 0.452 329 S N 0.115 115.867 115.700 0.086 0.000 2.383 329 S HA -0.192 4.277 4.470 -0.001 0.000 0.229 329 S C 2.123 176.757 174.600 0.057 0.000 1.030 329 S CA 1.198 59.441 58.200 0.072 0.000 1.002 329 S CB -0.360 62.893 63.200 0.089 0.000 0.829 329 S HN 0.403 nan 8.310 nan 0.000 0.467 330 C N 0.617 119.975 119.300 0.097 0.000 2.429 330 C HA 0.014 4.474 4.460 -0.001 0.000 0.277 330 C C 2.419 177.412 174.990 0.006 0.000 1.262 330 C CA 0.736 59.808 59.018 0.090 0.000 1.733 330 C CB -1.366 26.482 27.740 0.180 0.000 2.010 330 C HN 0.723 nan 8.230 nan 0.000 0.483 331 I N 0.944 121.492 120.570 -0.036 0.000 2.439 331 I HA -0.082 4.087 4.170 -0.001 0.000 0.251 331 I C 2.569 178.495 176.117 -0.317 0.000 1.139 331 I CA 1.476 62.635 61.300 -0.236 0.000 1.438 331 I CB -0.545 37.102 38.000 -0.589 0.000 1.085 331 I HN 0.196 nan 8.210 nan 0.000 0.427 332 R N 0.099 120.473 120.500 -0.210 0.000 2.092 332 R HA -0.180 4.160 4.340 -0.001 0.000 0.231 332 R C 2.207 178.401 176.300 -0.178 0.000 1.119 332 R CA 1.512 57.483 56.100 -0.214 0.000 0.970 332 R CB -0.475 29.833 30.300 0.014 0.000 0.864 332 R HN 0.532 nan 8.270 nan 0.000 0.440 333 E N 0.891 121.035 120.200 -0.093 0.000 2.051 333 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 333 E C 1.687 178.233 176.600 -0.091 0.000 0.991 333 E CA 1.491 57.858 56.400 -0.054 0.000 0.799 333 E CB 0.005 29.694 29.700 -0.019 0.000 0.748 333 E HN 0.167 nan 8.360 nan 0.000 0.449 334 D N 0.019 120.338 120.400 -0.136 0.000 2.075 334 D HA -0.153 4.486 4.640 -0.001 0.000 0.196 334 D C 2.093 178.278 176.300 -0.192 0.000 0.985 334 D CA 0.846 54.760 54.000 -0.143 0.000 0.834 334 D CB -0.089 40.624 40.800 -0.146 0.000 0.987 334 D HN 0.153 nan 8.370 nan 0.000 0.452 335 L N 1.383 122.387 121.223 -0.364 0.000 2.042 335 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 335 L C 2.226 178.944 176.870 -0.252 0.000 1.076 335 L CA 1.360 55.919 54.840 -0.468 0.000 0.749 335 L CB -1.816 39.598 42.059 -1.076 0.000 0.893 335 L HN 0.205 nan 8.230 nan 0.000 0.432 336 N N -0.622 117.946 118.700 -0.221 0.000 2.192 336 N HA -0.225 4.514 4.740 -0.001 0.000 0.188 336 N C 1.831 177.466 175.510 0.208 0.000 1.013 336 N CA 1.354 54.491 53.050 0.146 0.000 0.863 336 N CB 0.072 38.642 38.487 0.138 0.000 0.990 336 N HN 0.266 nan 8.380 nan 0.000 0.430 337 E N -0.318 119.937 120.200 0.092 0.000 2.086 337 E HA 0.040 4.390 4.350 -0.001 0.000 0.190 337 E C 0.885 177.522 176.600 0.062 0.000 0.975 337 E CA 0.678 57.125 56.400 0.079 0.000 0.813 337 E CB -0.059 29.636 29.700 -0.008 0.000 0.768 337 E HN 0.529 nan 8.360 nan 0.000 0.457 338 N N 0.059 118.777 118.700 0.030 0.000 2.322 338 N HA 0.070 4.809 4.740 -0.001 0.000 0.181 338 N C 0.240 175.779 175.510 0.048 0.000 1.088 338 N CA 0.153 53.209 53.050 0.010 0.000 0.885 338 N CB 0.602 39.061 38.487 -0.047 0.000 1.013 338 N HN -0.075 nan 8.380 nan 0.000 0.472 339 A N 3.671 126.539 122.820 0.080 0.000 2.409 339 A HA 0.313 4.633 4.320 -0.001 0.000 0.267 339 A C -2.116 175.560 177.584 0.153 0.000 1.127 339 A CA -1.018 51.069 52.037 0.084 0.000 0.795 339 A CB 0.063 19.158 19.000 0.158 0.000 1.061 339 A HN -0.009 nan 8.150 nan 0.000 0.502 340 P HA 0.272 nan 4.420 nan 0.000 0.272 340 P C -0.624 176.809 177.300 0.221 0.000 1.223 340 P CA -0.291 62.902 63.100 0.155 0.000 0.784 340 P CB 0.742 32.515 31.700 0.122 0.000 0.923 341 R N 0.920 121.511 120.500 0.150 0.000 2.457 341 R HA 0.742 5.082 4.340 -0.001 0.000 0.284 341 R C 0.046 176.426 176.300 0.133 0.000 1.024 341 R CA -0.333 55.837 56.100 0.118 0.000 1.025 341 R CB 0.638 30.932 30.300 -0.010 0.000 1.063 341 R HN 0.621 nan 8.270 nan 0.000 0.493 342 A N 2.199 125.076 122.820 0.095 0.000 2.594 342 A HA 0.692 5.012 4.320 -0.001 0.000 0.291 342 A C -1.329 176.087 177.584 -0.280 0.000 1.105 342 A CA -0.825 51.168 52.037 -0.074 0.000 0.694 342 A CB 1.462 20.411 19.000 -0.086 0.000 1.291 342 A HN 0.460 nan 8.150 nan 0.000 0.410 343 M N 0.828 120.167 119.600 -0.434 0.000 2.238 343 M HA 0.703 5.182 4.480 -0.001 0.000 0.350 343 M C -0.073 175.796 176.300 -0.718 0.000 1.138 343 M CA -0.282 54.705 55.300 -0.523 0.000 1.040 343 M CB 0.766 33.038 32.600 -0.547 0.000 1.639 343 M HN 1.183 nan 8.290 nan 0.000 0.451 344 A N 2.892 125.275 122.820 -0.727 0.000 2.540 344 A HA 0.731 5.050 4.320 -0.001 0.000 0.297 344 A C -1.355 176.017 177.584 -0.354 0.000 1.056 344 A CA -0.661 50.900 52.037 -0.793 0.000 0.700 344 A CB 1.525 19.515 19.000 -1.684 0.000 1.280 344 A HN 0.527 nan 8.150 nan 0.000 0.398 345 V N 3.737 123.537 119.914 -0.190 0.000 2.378 345 V HA 0.279 4.398 4.120 -0.001 0.000 0.288 345 V C 0.421 176.453 176.094 -0.104 0.000 1.016 345 V CA -0.163 62.139 62.300 0.004 0.000 0.840 345 V CB 0.966 32.840 31.823 0.086 0.000 0.994 345 V HN 0.850 nan 8.190 nan 0.000 0.431 346 I N 1.836 122.377 120.570 -0.047 0.000 2.339 346 I HA 0.076 4.246 4.170 -0.001 0.000 0.245 346 I C 1.269 177.341 176.117 -0.074 0.000 1.096 346 I CA 1.184 62.439 61.300 -0.076 0.000 1.408 346 I CB 0.083 38.083 38.000 -0.000 0.000 1.092 346 I HN 0.569 nan 8.210 nan 0.000 0.423 347 D N 2.390 122.782 120.400 -0.012 0.000 2.551 347 D HA 0.195 4.834 4.640 -0.001 0.000 0.294 347 D C -2.485 173.830 176.300 0.024 0.000 1.201 347 D CA -1.859 52.137 54.000 -0.007 0.000 0.941 347 D CB 0.973 41.790 40.800 0.028 0.000 0.995 347 D HN 0.052 nan 8.370 nan 0.000 0.502 348 P HA 0.039 nan 4.420 nan 0.000 0.271 348 P C -0.422 176.997 177.300 0.198 0.000 1.216 348 P CA -0.313 62.838 63.100 0.085 0.000 0.776 348 P CB 2.089 33.728 31.700 -0.102 0.000 0.881 349 V N 3.069 123.195 119.914 0.352 0.000 2.668 349 V HA 0.303 4.423 4.120 -0.001 0.000 0.304 349 V C -0.274 175.999 176.094 0.297 0.000 1.071 349 V CA -1.159 61.324 62.300 0.304 0.000 0.894 349 V CB 1.947 33.857 31.823 0.146 0.000 1.008 349 V HN 0.449 nan 8.190 nan 0.000 0.425 350 K N 5.457 125.957 120.400 0.166 0.000 2.484 350 K HA 0.320 4.640 4.320 -0.001 0.000 0.280 350 K C -0.889 175.498 176.600 -0.356 0.000 1.013 350 K CA 0.478 56.568 56.287 -0.328 0.000 1.029 350 K CB 0.475 32.730 32.500 -0.408 0.000 0.902 350 K HN 0.718 nan 8.250 nan 0.000 0.481 351 L N 6.092 127.043 121.223 -0.453 0.000 2.457 351 L HA 0.429 4.769 4.340 -0.001 0.000 0.266 351 L C -1.166 175.408 176.870 -0.494 0.000 0.979 351 L CA -0.962 53.617 54.840 -0.435 0.000 0.857 351 L CB 1.397 43.274 42.059 -0.304 0.000 1.213 351 L HN 0.547 nan 8.230 nan 0.000 0.418 352 V N 2.973 122.542 119.914 -0.576 0.000 2.472 352 V HA 0.548 4.667 4.120 -0.001 0.000 0.290 352 V C 0.023 175.928 176.094 -0.316 0.000 1.037 352 V CA -0.409 61.601 62.300 -0.483 0.000 0.908 352 V CB 1.625 33.127 31.823 -0.536 0.000 0.985 352 V HN 0.675 nan 8.190 nan 0.000 0.454 353 I N 4.272 124.698 120.570 -0.240 0.000 2.316 353 I HA 0.313 4.482 4.170 -0.001 0.000 0.286 353 I C 1.244 177.357 176.117 -0.007 0.000 1.107 353 I CA -0.181 61.052 61.300 -0.111 0.000 1.219 353 I CB 0.708 38.602 38.000 -0.175 0.000 1.455 353 I HN 0.802 nan 8.210 nan 0.000 0.498 354 E N 2.793 123.024 120.200 0.051 0.000 2.219 354 E HA -0.252 4.097 4.350 -0.001 0.000 0.198 354 E C 1.661 178.315 176.600 0.091 0.000 0.998 354 E CA 0.837 57.288 56.400 0.085 0.000 0.818 354 E CB -0.042 29.732 29.700 0.124 0.000 0.741 354 E HN 0.595 nan 8.360 nan 0.000 0.477 355 N N 0.254 119.037 118.700 0.138 0.000 2.396 355 N HA -0.127 4.613 4.740 -0.001 0.000 0.180 355 N C -0.211 175.468 175.510 0.281 0.000 1.028 355 N CA 0.397 53.573 53.050 0.210 0.000 0.893 355 N CB 0.068 38.743 38.487 0.313 0.000 0.967 355 N HN 0.102 nan 8.380 nan 0.000 0.440 356 Y N 2.657 122.964 120.300 0.013 0.000 2.335 356 Y HA 0.102 4.651 4.550 -0.001 0.000 0.331 356 Y C -0.007 175.867 175.900 -0.044 0.000 1.094 356 Y CA -0.542 57.489 58.100 -0.115 0.000 1.253 356 Y CB 0.494 38.740 38.460 -0.356 0.000 1.203 356 Y HN 0.097 nan 8.280 nan 0.000 0.508 357 Q N 4.760 124.233 119.800 -0.544 0.000 2.322 357 Q HA 0.711 5.050 4.340 -0.001 0.000 0.265 357 Q C -0.168 175.588 176.000 -0.406 0.000 0.985 357 Q CA -0.399 55.201 55.803 -0.338 0.000 0.849 357 Q CB 1.424 30.032 28.738 -0.217 0.000 1.274 357 Q HN 0.976 nan 8.270 nan 0.000 0.449 358 G N 2.418 111.123 108.800 -0.158 0.000 2.434 358 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.671 358 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.671 358 G C -0.156 174.781 174.900 0.061 0.000 1.280 358 G CA -0.232 44.831 45.100 -0.063 0.000 0.975 358 G HN 0.421 nan 8.290 nan 0.000 0.510 359 E N 0.303 120.556 120.200 0.088 0.000 2.442 359 E HA 0.366 4.716 4.350 -0.001 0.000 0.195 359 E C 1.294 178.013 176.600 0.199 0.000 1.030 359 E CA 1.361 57.827 56.400 0.110 0.000 0.869 359 E CB 0.674 30.418 29.700 0.073 0.000 0.857 359 E HN 1.914 nan 8.360 nan 0.000 0.505 360 G N 1.402 110.379 108.800 0.294 0.000 2.361 360 G HA2 0.074 4.033 3.960 -0.001 0.000 0.331 360 G HA3 0.074 4.033 3.960 -0.001 0.000 0.331 360 G C -1.117 173.970 174.900 0.312 0.000 1.324 360 G CA -0.277 45.027 45.100 0.339 0.000 0.984 360 G HN 0.102 nan 8.290 nan 0.000 0.586 361 E N -2.147 118.227 120.200 0.289 0.000 2.391 361 E HA 0.814 5.163 4.350 -0.001 0.000 0.256 361 E C -1.308 175.383 176.600 0.152 0.000 0.975 361 E CA -1.150 55.389 56.400 0.232 0.000 0.881 361 E CB 1.602 31.485 29.700 0.306 0.000 1.728 361 E HN 0.625 nan 8.360 nan 0.000 0.446 362 M N 1.782 121.453 119.600 0.118 0.000 2.326 362 M HA 0.372 4.851 4.480 -0.001 0.000 0.306 362 M C -1.477 174.859 176.300 0.059 0.000 1.054 362 M CA -0.799 54.547 55.300 0.077 0.000 0.922 362 M CB 2.129 34.760 32.600 0.051 0.000 1.632 362 M HN 0.533 nan 8.290 nan 0.000 0.436 363 V N 0.696 120.648 119.914 0.064 0.000 2.680 363 V HA 0.794 4.913 4.120 -0.001 0.000 0.309 363 V C -0.279 175.830 176.094 0.025 0.000 1.052 363 V CA -0.485 61.822 62.300 0.012 0.000 0.908 363 V CB 1.627 33.440 31.823 -0.017 0.000 1.001 363 V HN 0.792 nan 8.190 nan 0.000 0.431 364 T N 6.312 120.866 114.554 0.001 0.000 2.897 364 T HA 0.634 4.983 4.350 -0.001 0.000 0.294 364 T C -0.202 174.505 174.700 0.012 0.000 1.004 364 T CA -0.083 62.023 62.100 0.009 0.000 1.106 364 T CB 0.724 69.595 68.868 0.005 0.000 0.949 364 T HN 0.756 nan 8.240 nan 0.000 0.520 365 M N 3.243 122.852 119.600 0.015 0.000 2.386 365 M HA 0.349 4.829 4.480 -0.001 0.000 0.293 365 M C -2.674 173.639 176.300 0.021 0.000 1.120 365 M CA -2.249 53.059 55.300 0.014 0.000 0.909 365 M CB 2.752 35.349 32.600 -0.005 0.000 1.661 365 M HN 0.243 nan 8.290 nan 0.000 0.452 366 P HA 0.125 nan 4.420 nan 0.000 0.271 366 P C -0.153 177.181 177.300 0.057 0.000 1.216 366 P CA -0.109 63.019 63.100 0.046 0.000 0.771 366 P CB 0.541 32.271 31.700 0.050 0.000 0.864 367 N N 0.799 119.549 118.700 0.083 0.000 2.459 367 N HA -0.118 4.621 4.740 -0.001 0.000 0.181 367 N C -0.116 175.483 175.510 0.148 0.000 1.046 367 N CA 1.040 54.153 53.050 0.106 0.000 0.904 367 N CB -0.195 38.356 38.487 0.107 0.000 0.964 367 N HN 0.594 nan 8.380 nan 0.000 0.444 368 H N -1.309 117.788 119.070 0.045 0.000 3.287 368 H HA 0.203 4.759 4.556 -0.000 0.000 0.330 368 H C -2.098 173.252 175.328 0.037 0.000 1.064 368 H CA -1.099 54.977 56.048 0.046 0.000 1.544 368 H CB 1.747 31.534 29.762 0.041 0.000 1.918 368 H HN -0.167 nan 8.280 nan 0.000 0.477 369 P HA -0.185 nan 4.420 nan 0.000 0.217 369 P C 0.091 177.493 177.300 0.170 0.000 1.158 369 P CA 1.649 64.791 63.100 0.071 0.000 0.887 369 P CB 0.212 31.905 31.700 -0.010 0.000 0.792 370 N N -1.585 117.321 118.700 0.343 0.000 2.276 370 N HA 0.099 4.838 4.740 -0.001 0.000 0.212 370 N C -0.318 175.290 175.510 0.164 0.000 1.127 370 N CA 0.206 53.406 53.050 0.251 0.000 0.834 370 N CB 0.100 38.724 38.487 0.229 0.000 1.014 370 N HN 0.089 nan 8.380 nan 0.000 0.491 371 K N 0.359 120.864 120.400 0.174 0.000 2.832 371 K HA 0.130 4.449 4.320 -0.001 0.000 0.243 371 K C -2.197 174.418 176.600 0.025 0.000 1.117 371 K CA -1.123 55.139 56.287 -0.042 0.000 1.068 371 K CB 2.182 34.449 32.500 -0.390 0.000 1.286 371 K HN -0.098 nan 8.250 nan 0.000 0.553 372 P HA -0.258 nan 4.420 nan 0.000 0.219 372 P C 0.921 178.233 177.300 0.019 0.000 1.146 372 P CA 1.313 64.434 63.100 0.035 0.000 0.808 372 P CB 0.360 32.076 31.700 0.026 0.000 0.779 373 E N 0.195 120.394 120.200 -0.003 0.000 2.331 373 E HA -0.159 4.190 4.350 -0.001 0.000 0.199 373 E C 1.660 178.258 176.600 -0.004 0.000 1.008 373 E CA 0.881 57.276 56.400 -0.009 0.000 0.843 373 E CB -1.041 28.644 29.700 -0.025 0.000 0.761 373 E HN 0.335 nan 8.360 nan 0.000 0.507 374 M N 0.923 120.524 119.600 0.002 0.000 2.633 374 M HA 0.127 4.606 4.480 -0.001 0.000 0.226 374 M C 0.722 177.049 176.300 0.045 0.000 1.137 374 M CA 0.662 55.975 55.300 0.022 0.000 1.020 374 M CB 0.017 32.642 32.600 0.041 0.000 1.675 374 M HN 0.293 nan 8.290 nan 0.000 0.500 375 G N 0.699 109.522 108.800 0.038 0.000 2.750 375 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.228 375 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.228 375 G C -0.388 174.543 174.900 0.051 0.000 1.367 375 G CA -0.268 44.856 45.100 0.040 0.000 0.871 375 G HN 0.586 nan 8.290 nan 0.000 0.560 376 S N -1.184 114.542 115.700 0.044 0.000 2.732 376 S HA 0.947 5.416 4.470 -0.001 0.000 0.293 376 S C -0.335 174.289 174.600 0.041 0.000 1.159 376 S CA 0.131 58.356 58.200 0.043 0.000 0.847 376 S CB 2.450 65.670 63.200 0.033 0.000 1.169 376 S HN 1.873 nan 8.310 nan 0.000 0.501 377 R N -0.546 119.975 120.500 0.035 0.000 2.710 377 R HA 0.645 4.984 4.340 -0.001 0.000 0.270 377 R C -1.863 174.450 176.300 0.022 0.000 1.021 377 R CA -0.936 55.183 56.100 0.032 0.000 0.889 377 R CB 0.905 31.227 30.300 0.037 0.000 1.243 377 R HN 0.475 nan 8.270 nan 0.000 0.464 378 Q N 1.083 120.896 119.800 0.021 0.000 2.303 378 Q HA 0.441 4.781 4.340 -0.001 0.000 0.257 378 Q C -1.266 174.739 176.000 0.008 0.000 0.941 378 Q CA -0.459 55.356 55.803 0.019 0.000 0.931 378 Q CB 2.033 30.786 28.738 0.024 0.000 1.215 378 Q HN 0.491 nan 8.270 nan 0.000 0.437 379 V N 6.681 126.601 119.914 0.010 0.000 2.540 379 V HA 0.529 4.648 4.120 -0.001 0.000 0.302 379 V C -2.266 173.843 176.094 0.026 0.000 1.035 379 V CA -1.957 60.336 62.300 -0.012 0.000 0.873 379 V CB 1.937 33.728 31.823 -0.053 0.000 0.992 379 V HN 0.776 nan 8.190 nan 0.000 0.428 380 P HA 0.209 nan 4.420 nan 0.000 0.271 380 P C -1.131 176.194 177.300 0.042 0.000 1.220 380 P CA 0.059 63.046 63.100 -0.188 0.000 0.768 380 P CB 0.684 31.953 31.700 -0.719 0.000 0.848 381 F N 3.294 123.206 119.950 -0.064 0.000 2.532 381 F HA 0.562 5.088 4.527 -0.001 0.000 0.321 381 F C -0.274 175.372 175.800 -0.256 0.000 1.089 381 F CA 0.043 58.004 58.000 -0.065 0.000 0.926 381 F CB 2.021 40.950 39.000 -0.117 0.000 1.168 381 F HN 0.515 nan 8.300 nan 0.000 0.459 382 S N 2.204 117.234 115.700 -1.117 0.000 2.843 382 S HA 0.545 5.015 4.470 -0.001 0.000 0.301 382 S C 0.344 174.133 174.600 -1.352 0.000 1.206 382 S CA -0.254 57.399 58.200 -0.912 0.000 0.875 382 S CB 0.968 63.992 63.200 -0.293 0.000 1.248 382 S HN 0.954 nan 8.310 nan 0.000 0.555 383 G N -0.566 107.801 108.800 -0.722 0.000 2.623 383 G HA2 0.238 4.197 3.960 -0.001 0.000 0.214 383 G HA3 0.238 4.197 3.960 -0.001 0.000 0.214 383 G C 0.062 174.675 174.900 -0.477 0.000 1.138 383 G CA 0.080 44.871 45.100 -0.515 0.000 0.794 383 G HN 0.635 nan 8.290 nan 0.000 0.535 384 E N 0.639 120.556 120.200 -0.472 0.000 2.114 384 E HA 0.463 4.812 4.350 -0.001 0.000 0.266 384 E C -0.487 175.760 176.600 -0.587 0.000 0.896 384 E CA -0.396 55.699 56.400 -0.508 0.000 0.750 384 E CB 1.675 31.103 29.700 -0.453 0.000 1.121 384 E HN 0.452 nan 8.360 nan 0.000 0.413 385 I N -1.402 118.803 120.570 -0.608 0.000 3.206 385 I HA 0.652 4.821 4.170 -0.001 0.000 0.313 385 I C -1.140 174.665 176.117 -0.521 0.000 1.103 385 I CA -1.267 59.741 61.300 -0.488 0.000 0.985 385 I CB 1.782 39.609 38.000 -0.288 0.000 1.240 385 I HN 0.323 nan 8.210 nan 0.000 0.464 386 W N 3.085 124.326 121.300 -0.097 0.000 2.666 386 W HA 0.775 5.434 4.660 -0.002 0.000 0.334 386 W C -0.384 176.132 176.519 -0.005 0.000 1.051 386 W CA -0.598 56.703 57.345 -0.074 0.000 1.224 386 W CB 1.799 31.225 29.460 -0.057 0.000 1.405 386 W HN 0.488 nan 8.180 nan 0.000 0.513 387 I N -1.484 119.228 120.570 0.236 0.000 3.174 387 I HA 0.579 4.749 4.170 -0.001 0.000 0.313 387 I C -1.041 175.131 176.117 0.091 0.000 1.155 387 I CA -1.260 60.098 61.300 0.097 0.000 0.977 387 I CB 2.081 40.109 38.000 0.046 0.000 1.248 387 I HN 0.212 nan 8.210 nan 0.000 0.453 388 D N 1.399 121.797 120.400 -0.004 0.000 2.351 388 D HA 0.244 4.883 4.640 -0.001 0.000 0.251 388 D C 0.964 177.328 176.300 0.107 0.000 1.137 388 D CA -0.196 53.838 54.000 0.057 0.000 0.879 388 D CB 1.182 42.013 40.800 0.052 0.000 1.181 388 D HN 0.471 nan 8.370 nan 0.000 0.448 389 R N 2.664 123.237 120.500 0.120 0.000 2.261 389 R HA -0.153 4.186 4.340 -0.001 0.000 0.236 389 R C 1.311 177.710 176.300 0.166 0.000 1.141 389 R CA 1.103 57.291 56.100 0.147 0.000 1.001 389 R CB -0.101 30.269 30.300 0.116 0.000 0.866 389 R HN 0.429 nan 8.270 nan 0.000 0.468 390 A N 0.283 123.192 122.820 0.148 0.000 2.275 390 A HA -0.001 4.318 4.320 -0.001 0.000 0.212 390 A C 0.678 178.403 177.584 0.235 0.000 1.201 390 A CA 0.415 52.553 52.037 0.168 0.000 0.843 390 A CB 0.338 19.420 19.000 0.136 0.000 0.873 390 A HN 0.063 nan 8.150 nan 0.000 0.492 391 D N -1.420 119.108 120.400 0.214 0.000 2.340 391 D HA 0.206 4.845 4.640 -0.001 0.000 0.217 391 D C -0.830 175.691 176.300 0.369 0.000 1.081 391 D CA 0.268 54.394 54.000 0.210 0.000 0.842 391 D CB 0.234 41.077 40.800 0.071 0.000 0.934 391 D HN 0.374 nan 8.370 nan 0.000 0.511 392 F N 1.080 121.173 119.950 0.237 0.000 2.536 392 F HA 0.516 5.042 4.527 -0.001 0.000 0.322 392 F C -0.892 174.965 175.800 0.094 0.000 1.144 392 F CA -0.944 57.168 58.000 0.186 0.000 0.924 392 F CB 1.144 40.203 39.000 0.097 0.000 1.181 392 F HN -0.451 nan 8.300 nan 0.000 0.438 393 R N 4.032 123.984 120.500 -0.912 0.000 2.561 393 R HA 0.342 4.682 4.340 -0.001 0.000 0.297 393 R C 0.764 176.446 176.300 -1.030 0.000 0.969 393 R CA -0.483 55.056 56.100 -0.936 0.000 0.879 393 R CB 1.477 31.133 30.300 -1.074 0.000 1.178 393 R HN 0.785 nan 8.270 nan 0.000 0.445 394 E N 1.441 121.211 120.200 -0.716 0.000 2.150 394 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 394 E C 0.078 176.530 176.600 -0.246 0.000 0.985 394 E CA 1.465 57.639 56.400 -0.376 0.000 0.814 394 E CB 0.447 30.069 29.700 -0.130 0.000 0.752 394 E HN 0.587 nan 8.360 nan 0.000 0.466 395 E N -0.096 119.940 120.200 -0.274 0.000 3.139 395 E HA 0.480 4.829 4.350 -0.001 0.000 0.230 395 E C 0.049 176.508 176.600 -0.235 0.000 1.162 395 E CA 0.011 56.297 56.400 -0.191 0.000 0.976 395 E CB -0.410 29.211 29.700 -0.132 0.000 3.084 395 E HN 0.082 nan 8.360 nan 0.000 0.569 396 A N 1.274 123.945 122.820 -0.249 0.000 2.592 396 A HA -0.101 4.218 4.320 -0.001 0.000 0.681 396 A C 0.404 177.923 177.584 -0.108 0.000 0.230 396 A CA 0.327 52.210 52.037 -0.256 0.000 0.108 396 A CB -1.771 16.880 19.000 -0.581 0.000 3.942 396 A HN 0.692 nan 8.150 nan 0.000 0.546 397 N N 1.078 119.750 118.700 -0.046 0.000 2.251 397 N HA 0.132 4.871 4.740 -0.001 0.000 0.262 397 N C 0.613 176.150 175.510 0.044 0.000 1.276 397 N CA 0.996 54.050 53.050 0.006 0.000 0.897 397 N CB -0.078 38.421 38.487 0.020 0.000 1.005 397 N HN 0.661 nan 8.380 nan 0.000 0.464 398 K N -0.887 119.541 120.400 0.047 0.000 2.314 398 K HA 0.126 4.446 4.320 -0.001 0.000 0.198 398 K C 2.006 178.647 176.600 0.068 0.000 1.045 398 K CA 0.593 56.912 56.287 0.053 0.000 0.988 398 K CB 0.020 32.541 32.500 0.035 0.000 0.783 398 K HN 0.354 nan 8.250 nan 0.000 0.484 399 Q N -0.062 119.785 119.800 0.077 0.000 2.083 399 Q HA -0.060 4.279 4.340 -0.001 0.000 0.198 399 Q C 0.166 176.224 176.000 0.097 0.000 0.969 399 Q CA 0.656 56.503 55.803 0.074 0.000 0.838 399 Q CB -0.388 28.392 28.738 0.070 0.000 0.900 399 Q HN 0.357 nan 8.270 nan 0.000 0.436 400 Y N 3.373 123.673 120.300 0.000 0.000 2.846 400 Y HA -0.190 4.359 4.550 -0.000 0.000 0.352 400 Y C 0.907 176.811 175.900 0.005 0.000 1.298 400 Y CA 0.772 58.871 58.100 -0.002 0.000 1.634 400 Y CB 0.165 38.613 38.460 -0.020 0.000 1.214 400 Y HN 0.027 nan 8.280 nan 0.000 0.529 401 K N 4.624 124.856 120.400 -0.280 0.000 2.440 401 K HA 0.318 4.637 4.320 -0.001 0.000 0.206 401 K C 0.178 176.632 176.600 -0.243 0.000 1.025 401 K CA -0.222 55.961 56.287 -0.173 0.000 1.135 401 K CB 0.699 33.138 32.500 -0.101 0.000 0.856 401 K HN 0.455 nan 8.250 nan 0.000 0.502 402 R N 0.229 120.399 120.500 -0.550 0.000 2.740 402 R HA 0.339 4.678 4.340 -0.001 0.000 0.223 402 R C -0.541 175.786 176.300 0.045 0.000 1.362 402 R CA -1.183 54.720 56.100 -0.329 0.000 1.069 402 R CB 0.274 30.251 30.300 -0.539 0.000 1.739 402 R HN -0.032 nan 8.270 nan 0.000 0.533 403 L N 1.387 122.725 121.223 0.192 0.000 2.534 403 L HA 0.103 4.442 4.340 -0.001 0.000 0.271 403 L C -1.069 175.995 176.870 0.322 0.000 1.178 403 L CA 0.714 55.741 54.840 0.313 0.000 0.907 403 L CB 0.581 42.884 42.059 0.406 0.000 1.164 403 L HN 0.190 nan 8.230 nan 0.000 0.482 404 V N 6.135 126.178 119.914 0.215 0.000 2.588 404 V HA 0.255 4.374 4.120 -0.001 0.000 0.304 404 V C -0.246 175.922 176.094 0.123 0.000 1.042 404 V CA -1.149 61.165 62.300 0.023 0.000 0.877 404 V CB 1.763 33.614 31.823 0.046 0.000 0.996 404 V HN 0.618 nan 8.190 nan 0.000 0.425 405 L N 5.233 126.509 121.223 0.088 0.000 2.737 405 L HA 0.349 4.688 4.340 -0.001 0.000 0.279 405 L C 1.268 178.217 176.870 0.131 0.000 1.200 405 L CA 2.363 57.343 54.840 0.233 0.000 0.952 405 L CB -0.306 41.862 42.059 0.182 0.000 1.240 405 L HN 1.081 nan 8.230 nan 0.000 0.486 406 G N 2.424 111.307 108.800 0.139 0.000 2.358 406 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.224 406 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.224 406 G C 0.459 175.408 174.900 0.083 0.000 1.073 406 G CA 0.302 45.455 45.100 0.089 0.000 0.635 406 G HN 0.809 nan 8.290 nan 0.000 0.509 407 K N 1.730 122.187 120.400 0.095 0.000 2.399 407 K HA 0.666 4.986 4.320 -0.001 0.000 0.247 407 K C 0.345 177.007 176.600 0.103 0.000 1.036 407 K CA 0.017 56.356 56.287 0.086 0.000 0.977 407 K CB 0.737 33.286 32.500 0.083 0.000 1.272 407 K HN 0.604 nan 8.250 nan 0.000 0.501 408 E N -1.129 119.124 120.200 0.088 0.000 2.410 408 E HA 0.615 4.965 4.350 -0.001 0.000 0.269 408 E C -1.251 175.399 176.600 0.083 0.000 0.937 408 E CA -1.156 55.297 56.400 0.089 0.000 0.793 408 E CB 1.460 31.202 29.700 0.070 0.000 1.314 408 E HN 0.345 nan 8.360 nan 0.000 0.447 409 V N -2.061 117.902 119.914 0.081 0.000 3.147 409 V HA 0.763 4.882 4.120 -0.001 0.000 0.306 409 V C -0.929 175.203 176.094 0.064 0.000 1.209 409 V CA -1.274 61.067 62.300 0.068 0.000 1.023 409 V CB 1.884 33.750 31.823 0.072 0.000 1.059 409 V HN 0.711 nan 8.190 nan 0.000 0.435 410 R N 2.070 122.605 120.500 0.058 0.000 2.308 410 R HA 0.630 4.969 4.340 -0.001 0.000 0.305 410 R C -0.829 175.518 176.300 0.079 0.000 1.053 410 R CA -0.701 55.436 56.100 0.061 0.000 0.957 410 R CB 0.465 30.796 30.300 0.053 0.000 1.022 410 R HN 0.891 nan 8.270 nan 0.000 0.461 411 L N 5.024 126.285 121.223 0.063 0.000 2.278 411 L HA 0.373 4.712 4.340 -0.001 0.000 0.287 411 L C 0.452 177.469 176.870 0.245 0.000 1.072 411 L CA -0.951 53.943 54.840 0.090 0.000 0.819 411 L CB 0.866 42.793 42.059 -0.220 0.000 1.176 411 L HN 0.558 nan 8.230 nan 0.000 0.435 412 R N 4.159 124.894 120.500 0.392 0.000 2.695 412 R HA -0.204 4.135 4.340 -0.001 0.000 0.304 412 R C 0.512 177.014 176.300 0.337 0.000 0.836 412 R CA 0.994 57.281 56.100 0.312 0.000 1.135 412 R CB -0.938 29.509 30.300 0.244 0.000 0.882 412 R HN 0.767 nan 8.270 nan 0.000 0.413 413 N N 0.927 119.720 118.700 0.154 0.000 2.741 413 N HA -0.327 4.412 4.740 -0.001 0.000 0.251 413 N C -0.603 174.918 175.510 0.018 0.000 1.112 413 N CA 0.697 53.797 53.050 0.082 0.000 0.750 413 N CB -0.615 37.925 38.487 0.089 0.000 1.119 413 N HN 0.718 nan 8.380 nan 0.000 0.561 414 A N -0.799 121.996 122.820 -0.041 0.000 4.069 414 A HA 0.717 5.036 4.320 -0.001 0.000 0.188 414 A C -1.013 176.317 177.584 -0.424 0.000 0.718 414 A CA -0.486 51.328 52.037 -0.371 0.000 0.753 414 A CB 0.373 19.154 19.000 -0.365 0.000 1.566 414 A HN 0.124 nan 8.150 nan 0.000 0.836 415 Y N -0.574 119.577 120.300 -0.248 0.000 2.326 415 Y HA 0.498 5.048 4.550 -0.000 0.000 0.324 415 Y C 0.425 176.312 175.900 -0.022 0.000 1.291 415 Y CA -0.596 57.445 58.100 -0.098 0.000 1.348 415 Y CB 0.811 39.278 38.460 0.011 0.000 1.294 415 Y HN 0.246 nan 8.280 nan 0.000 0.525 416 V N 4.147 124.185 119.914 0.207 0.000 2.432 416 V HA 0.330 4.449 4.120 -0.001 0.000 0.275 416 V C 0.008 176.184 176.094 0.137 0.000 1.043 416 V CA -0.645 61.728 62.300 0.123 0.000 0.925 416 V CB 0.291 32.164 31.823 0.082 0.000 0.985 416 V HN 0.586 nan 8.190 nan 0.000 0.466 417 I N 1.690 122.325 120.570 0.109 0.000 2.693 417 I HA 0.704 4.873 4.170 -0.001 0.000 0.303 417 I C -0.503 175.665 176.117 0.085 0.000 1.025 417 I CA -0.891 60.472 61.300 0.105 0.000 1.086 417 I CB 1.930 39.973 38.000 0.072 0.000 1.268 417 I HN 0.513 nan 8.210 nan 0.000 0.440 418 K N 4.234 124.683 120.400 0.082 0.000 2.394 418 K HA 0.684 5.003 4.320 -0.001 0.000 0.260 418 K C -0.621 176.033 176.600 0.091 0.000 0.967 418 K CA -0.580 55.758 56.287 0.084 0.000 0.855 418 K CB 1.792 34.332 32.500 0.067 0.000 1.101 418 K HN 0.941 nan 8.250 nan 0.000 0.433 419 A N 3.548 126.444 122.820 0.126 0.000 2.511 419 A HA 0.083 4.403 4.320 -0.001 0.000 0.242 419 A C 0.325 177.987 177.584 0.130 0.000 1.069 419 A CA 0.161 52.282 52.037 0.139 0.000 0.763 419 A CB 0.577 19.768 19.000 0.319 0.000 1.001 419 A HN 0.993 nan 8.150 nan 0.000 0.498 420 E N 0.412 120.679 120.200 0.112 0.000 3.249 420 E HA 0.201 4.551 4.350 -0.001 0.000 0.184 420 E C 0.496 177.152 176.600 0.092 0.000 1.163 420 E CA 0.208 56.665 56.400 0.095 0.000 1.353 420 E CB 0.377 30.123 29.700 0.078 0.000 1.466 420 E HN 0.604 nan 8.360 nan 0.000 0.502 421 R N 0.880 121.439 120.500 0.098 0.000 2.670 421 R HA 0.541 4.881 4.340 -0.001 0.000 0.289 421 R C -1.364 175.027 176.300 0.151 0.000 0.965 421 R CA -0.504 55.631 56.100 0.059 0.000 0.899 421 R CB 1.806 32.049 30.300 -0.095 0.000 1.173 421 R HN 0.165 nan 8.270 nan 0.000 0.456 422 V N 2.163 122.154 119.914 0.128 0.000 2.994 422 V HA 0.534 4.654 4.120 -0.001 0.000 0.318 422 V C -0.995 175.186 176.094 0.144 0.000 1.085 422 V CA -0.529 61.862 62.300 0.152 0.000 0.998 422 V CB 1.996 33.922 31.823 0.172 0.000 1.063 422 V HN 0.924 nan 8.190 nan 0.000 0.447 423 E N 3.075 123.374 120.200 0.165 0.000 2.274 423 E HA 0.437 4.787 4.350 -0.001 0.000 0.269 423 E C -1.296 175.366 176.600 0.103 0.000 0.891 423 E CA -0.650 55.833 56.400 0.137 0.000 0.784 423 E CB 1.640 31.484 29.700 0.241 0.000 1.225 423 E HN 0.688 nan 8.360 nan 0.000 0.412 424 K N 2.421 122.867 120.400 0.077 0.000 2.210 424 K HA 0.290 4.609 4.320 -0.001 0.000 0.236 424 K C 0.036 176.668 176.600 0.054 0.000 1.016 424 K CA -0.743 55.583 56.287 0.066 0.000 0.913 424 K CB 0.866 33.402 32.500 0.059 0.000 1.141 424 K HN 0.580 nan 8.250 nan 0.000 0.462 425 D N -0.380 120.049 120.400 0.047 0.000 2.577 425 D HA 0.201 4.841 4.640 -0.001 0.000 0.248 425 D C 0.904 177.222 176.300 0.031 0.000 1.181 425 D CA -0.374 53.649 54.000 0.039 0.000 1.083 425 D CB -0.109 40.715 40.800 0.040 0.000 1.198 425 D HN 0.385 nan 8.370 nan 0.000 0.626 426 A N 0.209 123.046 122.820 0.027 0.000 1.827 426 A HA -0.228 4.091 4.320 -0.001 0.000 0.215 426 A C 1.961 179.558 177.584 0.021 0.000 1.212 426 A CA 2.122 54.172 52.037 0.021 0.000 0.624 426 A CB -1.375 17.636 19.000 0.019 0.000 0.853 426 A HN 0.758 nan 8.150 nan 0.000 0.450 427 E N -0.762 119.451 120.200 0.021 0.000 2.501 427 E HA 0.053 4.402 4.350 -0.001 0.000 0.203 427 E C 0.985 177.599 176.600 0.024 0.000 1.072 427 E CA 0.623 57.035 56.400 0.020 0.000 0.885 427 E CB -0.473 29.238 29.700 0.020 0.000 0.813 427 E HN 0.948 nan 8.360 nan 0.000 0.556 428 G N 0.623 109.439 108.800 0.028 0.000 2.131 428 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.223 428 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.223 428 G C -0.448 174.478 174.900 0.043 0.000 0.990 428 G CA 0.139 45.259 45.100 0.033 0.000 0.671 428 G HN 0.327 nan 8.290 nan 0.000 0.521 429 N N -0.029 118.698 118.700 0.045 0.000 2.529 429 N HA 0.564 5.303 4.740 -0.001 0.000 0.278 429 N C 0.714 176.264 175.510 0.067 0.000 1.146 429 N CA -0.453 52.630 53.050 0.055 0.000 0.980 429 N CB 1.036 39.553 38.487 0.050 0.000 1.124 429 N HN 0.300 nan 8.380 nan 0.000 0.458 430 I N 1.006 121.627 120.570 0.085 0.000 2.618 430 I HA -0.057 4.112 4.170 -0.001 0.000 0.284 430 I C 1.454 177.614 176.117 0.072 0.000 1.146 430 I CA 0.269 61.623 61.300 0.090 0.000 1.425 430 I CB 0.566 38.639 38.000 0.123 0.000 1.383 430 I HN 0.787 nan 8.210 nan 0.000 0.562 431 T N -0.143 114.447 114.554 0.060 0.000 3.018 431 T HA 0.074 4.423 4.350 -0.001 0.000 0.246 431 T C 0.650 175.353 174.700 0.005 0.000 1.026 431 T CA 0.120 62.251 62.100 0.052 0.000 1.081 431 T CB 0.494 69.395 68.868 0.056 0.000 0.970 431 T HN 0.640 nan 8.240 nan 0.000 0.475 432 T N 0.656 115.193 114.554 -0.028 0.000 3.097 432 T HA 0.595 4.944 4.350 -0.001 0.000 0.332 432 T C -1.855 172.703 174.700 -0.236 0.000 1.269 432 T CA -0.884 61.101 62.100 -0.191 0.000 1.076 432 T CB 1.156 69.841 68.868 -0.305 0.000 1.209 432 T HN 0.290 nan 8.240 nan 0.000 0.474 433 I N 4.735 125.065 120.570 -0.400 0.000 2.321 433 I HA 0.454 4.623 4.170 -0.001 0.000 0.291 433 I C -0.717 175.127 176.117 -0.454 0.000 0.998 433 I CA -0.806 60.248 61.300 -0.410 0.000 1.227 433 I CB 1.002 38.624 38.000 -0.630 0.000 1.368 433 I HN 0.531 nan 8.210 nan 0.000 0.466 434 F N 5.098 124.932 119.950 -0.193 0.000 2.408 434 F HA 0.504 5.030 4.527 -0.001 0.000 0.344 434 F C 0.384 176.124 175.800 -0.101 0.000 1.112 434 F CA -0.308 57.615 58.000 -0.130 0.000 1.096 434 F CB 1.108 40.056 39.000 -0.087 0.000 1.129 434 F HN 0.421 nan 8.300 nan 0.000 0.486 435 C N 0.273 119.598 119.300 0.042 0.000 3.307 435 C HA 0.901 5.360 4.460 -0.001 0.000 0.350 435 C C -0.099 174.934 174.990 0.072 0.000 1.549 435 C CA -0.851 58.193 59.018 0.044 0.000 1.396 435 C CB 2.086 29.822 27.740 -0.007 0.000 1.970 435 C HN 0.886 nan 8.230 nan 0.000 0.441 436 T N -0.943 113.665 114.554 0.091 0.000 2.903 436 T HA 0.742 5.091 4.350 -0.001 0.000 0.299 436 T C -1.258 173.553 174.700 0.184 0.000 1.093 436 T CA -0.374 61.806 62.100 0.134 0.000 1.002 436 T CB 1.603 70.522 68.868 0.085 0.000 1.127 436 T HN 1.142 nan 8.240 nan 0.000 0.488 437 Y N 0.145 120.438 120.300 -0.010 0.000 2.562 437 Y HA 0.732 5.281 4.550 -0.002 0.000 0.343 437 Y C -0.556 175.302 175.900 -0.070 0.000 1.025 437 Y CA -1.807 56.275 58.100 -0.030 0.000 1.082 437 Y CB 1.181 39.618 38.460 -0.038 0.000 1.264 437 Y HN 0.774 nan 8.280 nan 0.000 0.478 438 D N 1.966 122.178 120.400 -0.314 0.000 2.304 438 D HA 0.265 4.904 4.640 -0.001 0.000 0.250 438 D C 1.003 176.895 176.300 -0.681 0.000 1.107 438 D CA 0.659 54.427 54.000 -0.388 0.000 0.885 438 D CB 2.118 42.840 40.800 -0.131 0.000 1.192 438 D HN 0.957 nan 8.370 nan 0.000 0.436 439 A N 4.257 126.741 122.820 -0.559 0.000 1.859 439 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 439 A C 0.952 178.378 177.584 -0.263 0.000 1.242 439 A CA 1.954 53.711 52.037 -0.468 0.000 0.661 439 A CB -0.401 18.452 19.000 -0.245 0.000 0.842 439 A HN 0.705 nan 8.150 nan 0.000 0.455 440 D N -1.278 119.068 120.400 -0.090 0.000 2.446 440 D HA 0.454 5.093 4.640 -0.001 0.000 0.251 440 D C -0.737 175.609 176.300 0.077 0.000 1.137 440 D CA 0.257 54.294 54.000 0.061 0.000 0.890 440 D CB 0.584 41.404 40.800 0.034 0.000 1.071 440 D HN 0.173 nan 8.370 nan 0.000 0.528 441 T N 3.111 117.775 114.554 0.184 0.000 3.514 441 T HA 0.512 4.861 4.350 -0.001 0.000 0.259 441 T C 0.162 174.897 174.700 0.059 0.000 1.466 441 T CA -0.686 61.482 62.100 0.113 0.000 1.562 441 T CB -0.719 68.222 68.868 0.121 0.000 0.924 441 T HN 0.461 nan 8.240 nan 0.000 0.678 455 V N 0.844 120.768 119.914 0.018 0.000 2.686 455 V HA 0.700 4.820 4.120 -0.001 0.000 0.306 455 V C -0.122 176.011 176.094 0.065 0.000 1.065 455 V CA -0.581 61.751 62.300 0.052 0.000 0.894 455 V CB 1.362 33.222 31.823 0.063 0.000 1.004 455 V HN 0.995 nan 8.190 nan 0.000 0.424 456 I N 0.872 121.498 120.570 0.093 0.000 2.892 456 I HA 0.799 4.969 4.170 -0.001 0.000 0.306 456 I C -0.233 175.986 176.117 0.170 0.000 1.078 456 I CA -0.930 60.419 61.300 0.081 0.000 1.032 456 I CB 2.214 40.216 38.000 0.003 0.000 1.229 456 I HN 0.871 nan 8.210 nan 0.000 0.435 457 H N 1.883 121.030 119.070 0.129 0.000 2.508 457 H HA 0.737 5.293 4.556 -0.001 0.000 0.358 457 H C -1.094 174.334 175.328 0.165 0.000 1.212 457 H CA -0.629 55.466 56.048 0.078 0.000 1.356 457 H CB 1.161 30.873 29.762 -0.083 0.000 1.525 457 H HN 0.848 nan 8.280 nan 0.000 0.578 458 W N -0.875 120.450 121.300 0.042 0.000 2.959 458 W HA 0.599 5.258 4.660 -0.002 0.000 0.358 458 W C -2.488 174.041 176.519 0.016 0.000 1.228 458 W CA -1.154 56.188 57.345 -0.006 0.000 1.183 458 W CB 0.451 29.885 29.460 -0.043 0.000 1.467 458 W HN 0.618 nan 8.180 nan 0.000 0.578 459 V N 1.689 121.686 119.914 0.138 0.000 2.733 459 V HA 0.245 4.365 4.120 -0.001 0.000 0.306 459 V C 0.005 176.248 176.094 0.247 0.000 1.084 459 V CA -0.664 61.636 62.300 0.000 0.000 0.905 459 V CB 1.728 33.568 31.823 0.028 0.000 1.010 459 V HN 0.599 nan 8.190 nan 0.000 0.424 460 S N 3.575 119.402 115.700 0.212 0.000 2.466 460 S HA 0.311 4.780 4.470 -0.001 0.000 0.286 460 S C 1.498 176.112 174.600 0.023 0.000 1.221 460 S CA 0.213 58.472 58.200 0.098 0.000 1.091 460 S CB 0.902 64.174 63.200 0.121 0.000 0.956 460 S HN 1.175 nan 8.310 nan 0.000 0.501 461 A N 5.828 128.500 122.820 -0.247 0.000 1.927 461 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 461 A C 2.422 179.926 177.584 -0.134 0.000 1.185 461 A CA 2.180 54.005 52.037 -0.355 0.000 0.639 461 A CB -1.388 17.069 19.000 -0.905 0.000 0.820 461 A HN 1.264 nan 8.150 nan 0.000 0.451 462 A N -1.203 121.540 122.820 -0.128 0.000 1.933 462 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 462 A C 1.723 179.157 177.584 -0.251 0.000 1.175 462 A CA 1.773 53.694 52.037 -0.193 0.000 0.628 462 A CB -0.649 18.191 19.000 -0.267 0.000 0.814 462 A HN 0.700 nan 8.150 nan 0.000 0.444 463 H N -0.896 118.155 119.070 -0.033 0.000 2.549 463 H HA 0.591 5.147 4.556 -0.001 0.000 0.279 463 H C 0.724 176.058 175.328 0.010 0.000 1.018 463 H CA -0.226 55.820 56.048 -0.004 0.000 1.175 463 H CB -0.204 29.559 29.762 0.002 0.000 1.485 463 H HN 0.482 nan 8.280 nan 0.000 0.543 464 A N 1.256 124.149 122.820 0.122 0.000 2.462 464 A HA 0.313 4.632 4.320 -0.001 0.000 0.243 464 A C -0.174 177.507 177.584 0.161 0.000 1.076 464 A CA -0.387 51.733 52.037 0.137 0.000 0.773 464 A CB 0.009 19.097 19.000 0.147 0.000 1.010 464 A HN 0.325 nan 8.150 nan 0.000 0.493 465 L N 4.591 125.891 121.223 0.128 0.000 2.265 465 L HA 0.527 4.866 4.340 -0.001 0.000 0.289 465 L C -2.485 174.441 176.870 0.094 0.000 1.033 465 L CA -2.151 52.743 54.840 0.091 0.000 0.814 465 L CB 1.005 43.076 42.059 0.020 0.000 1.203 465 L HN 0.315 nan 8.230 nan 0.000 0.423 466 P HA 0.153 nan 4.420 nan 0.000 0.263 466 P C -1.189 176.040 177.300 -0.119 0.000 1.195 466 P CA 0.174 63.229 63.100 -0.075 0.000 0.762 466 P CB 0.841 32.533 31.700 -0.014 0.000 0.799 467 V N 3.137 122.907 119.914 -0.241 0.000 2.841 467 V HA 0.274 4.394 4.120 -0.001 0.000 0.310 467 V C -0.114 175.910 176.094 -0.117 0.000 1.090 467 V CA -0.729 61.506 62.300 -0.109 0.000 0.930 467 V CB 2.268 34.022 31.823 -0.115 0.000 1.014 467 V HN 0.453 nan 8.190 nan 0.000 0.425 468 E N 4.060 124.265 120.200 0.009 0.000 2.200 468 E HA 0.562 4.911 4.350 -0.001 0.000 0.283 468 E C -1.271 175.386 176.600 0.094 0.000 1.015 468 E CA -0.397 56.003 56.400 0.001 0.000 0.819 468 E CB 1.079 30.786 29.700 0.011 0.000 1.081 468 E HN 0.592 nan 8.360 nan 0.000 0.397 469 I N 5.051 125.648 120.570 0.044 0.000 2.389 469 I HA 0.337 4.507 4.170 -0.001 0.000 0.288 469 I C -0.075 176.088 176.117 0.077 0.000 0.999 469 I CA -0.765 60.615 61.300 0.133 0.000 1.129 469 I CB 1.547 39.603 38.000 0.093 0.000 1.288 469 I HN 0.420 nan 8.210 nan 0.000 0.444 470 R N 7.154 127.711 120.500 0.096 0.000 2.215 470 R HA 0.521 4.860 4.340 -0.001 0.000 0.337 470 R C -1.037 175.104 176.300 -0.266 0.000 1.010 470 R CA -0.651 55.359 56.100 -0.150 0.000 0.871 470 R CB 0.974 31.161 30.300 -0.188 0.000 1.134 470 R HN 0.510 nan 8.270 nan 0.000 0.477 471 L N 4.152 125.219 121.223 -0.261 0.000 2.305 471 L HA 0.389 4.728 4.340 -0.001 0.000 0.281 471 L C -0.468 176.190 176.870 -0.353 0.000 1.085 471 L CA -0.513 54.221 54.840 -0.178 0.000 0.813 471 L CB 0.235 42.259 42.059 -0.058 0.000 1.157 471 L HN 0.415 nan 8.230 nan 0.000 0.436 472 Y N 1.045 121.335 120.300 -0.016 0.000 2.567 472 Y HA 0.584 5.134 4.550 -0.001 0.000 0.333 472 Y C -0.033 175.848 175.900 -0.031 0.000 1.106 472 Y CA -0.614 57.474 58.100 -0.020 0.000 1.157 472 Y CB 1.930 40.381 38.460 -0.014 0.000 1.277 472 Y HN 0.521 nan 8.280 nan 0.000 0.490 473 D N -0.947 119.542 120.400 0.149 0.000 2.665 473 D HA 0.262 4.902 4.640 -0.001 0.000 0.287 473 D C -1.377 174.939 176.300 0.027 0.000 1.266 473 D CA -0.977 53.051 54.000 0.047 0.000 0.830 473 D CB 1.163 41.962 40.800 -0.001 0.000 1.356 473 D HN 0.541 nan 8.370 nan 0.000 0.437 474 R N 1.084 121.566 120.500 -0.029 0.000 2.523 474 R HA 0.054 4.393 4.340 -0.001 0.000 0.281 474 R C 1.094 177.392 176.300 -0.003 0.000 0.969 474 R CA -0.155 55.938 56.100 -0.012 0.000 1.093 474 R CB 0.228 30.450 30.300 -0.130 0.000 0.917 474 R HN 0.496 nan 8.270 nan 0.000 0.408 475 L N 1.610 122.830 121.223 -0.005 0.000 2.046 475 L HA -0.035 4.305 4.340 -0.001 0.000 0.208 475 L C 0.245 176.866 176.870 -0.416 0.000 1.077 475 L CA 1.408 56.115 54.840 -0.222 0.000 0.747 475 L CB 0.080 41.961 42.059 -0.296 0.000 0.896 475 L HN 0.554 nan 8.230 nan 0.000 0.432 476 F N -2.509 117.525 119.950 0.140 0.000 2.523 476 F HA 0.235 4.761 4.527 -0.001 0.000 0.329 476 F C 1.442 177.376 175.800 0.224 0.000 1.061 476 F CA -0.590 57.506 58.000 0.160 0.000 0.967 476 F CB 1.586 40.687 39.000 0.168 0.000 1.218 476 F HN -0.330 nan 8.300 nan 0.000 0.480 477 S N -0.136 115.788 115.700 0.375 0.000 2.446 477 S HA 0.046 4.516 4.470 -0.001 0.000 0.225 477 S C 0.354 175.211 174.600 0.427 0.000 1.016 477 S CA 0.278 58.654 58.200 0.293 0.000 0.943 477 S CB -0.018 63.287 63.200 0.176 0.000 0.786 477 S HN 0.406 nan 8.310 nan 0.000 0.508 478 V N -0.686 119.434 119.914 0.344 0.000 2.732 478 V HA 0.478 4.597 4.120 -0.001 0.000 0.310 478 V C -2.392 173.525 176.094 -0.294 0.000 1.053 478 V CA -2.202 60.174 62.300 0.126 0.000 0.957 478 V CB 1.327 33.172 31.823 0.037 0.000 1.018 478 V HN -0.110 nan 8.190 nan 0.000 0.452 479 P HA -0.090 nan 4.420 nan 0.000 0.215 479 P C 0.367 177.376 177.300 -0.485 0.000 1.153 479 P CA 1.588 64.117 63.100 -0.952 0.000 0.853 479 P CB 0.068 31.461 31.700 -0.511 0.000 0.788 480 N N -1.310 117.214 118.700 -0.294 0.000 2.918 480 N HA 0.131 4.870 4.740 -0.001 0.000 0.270 480 N C -1.800 173.579 175.510 -0.219 0.000 1.536 480 N CA -2.399 50.516 53.050 -0.224 0.000 0.877 480 N CB 0.203 38.590 38.487 -0.166 0.000 1.190 480 N HN -0.039 nan 8.380 nan 0.000 0.492 481 P HA -0.038 nan 4.420 nan 0.000 0.220 481 P C 1.306 178.411 177.300 -0.325 0.000 1.148 481 P CA 0.753 63.627 63.100 -0.378 0.000 0.803 481 P CB 0.176 31.301 31.700 -0.959 0.000 0.782 482 G N 0.701 109.289 108.800 -0.354 0.000 2.448 482 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.219 482 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.219 482 G C 1.627 176.411 174.900 -0.194 0.000 1.127 482 G CA 0.742 45.645 45.100 -0.328 0.000 0.766 482 G HN 0.406 nan 8.290 nan 0.000 0.552 483 A N -0.105 122.626 122.820 -0.149 0.000 2.238 483 A HA 0.713 5.032 4.320 -0.001 0.000 0.208 483 A C 1.462 179.011 177.584 -0.057 0.000 1.177 483 A CA 0.820 52.800 52.037 -0.095 0.000 0.804 483 A CB -0.182 18.764 19.000 -0.090 0.000 0.823 483 A HN 0.651 nan 8.150 nan 0.000 0.482 484 A N -0.070 122.724 122.820 -0.044 0.000 2.322 484 A HA 0.401 4.721 4.320 -0.001 0.000 0.269 484 A C 0.727 178.331 177.584 0.032 0.000 1.094 484 A CA -0.143 51.895 52.037 0.001 0.000 0.807 484 A CB 0.322 19.334 19.000 0.021 0.000 1.047 484 A HN 0.339 nan 8.150 nan 0.000 0.487 485 D N 0.195 120.612 120.400 0.028 0.000 2.087 485 D HA -0.133 4.507 4.640 -0.001 0.000 0.192 485 D C -0.073 176.268 176.300 0.068 0.000 0.993 485 D CA 1.748 55.769 54.000 0.035 0.000 0.828 485 D CB 0.169 40.982 40.800 0.021 0.000 0.968 485 D HN 0.630 nan 8.370 nan 0.000 0.448 486 D N -0.204 120.230 120.400 0.058 0.000 2.458 486 D HA 0.030 4.670 4.640 -0.001 0.000 0.258 486 D C 0.943 177.265 176.300 0.036 0.000 1.134 486 D CA -0.662 53.362 54.000 0.040 0.000 0.915 486 D CB 0.042 40.834 40.800 -0.014 0.000 1.028 486 D HN -0.059 nan 8.370 nan 0.000 0.508 487 F N 2.353 122.284 119.950 -0.032 0.000 2.250 487 F HA -0.092 4.435 4.527 -0.001 0.000 0.301 487 F C 1.348 177.203 175.800 0.091 0.000 1.077 487 F CA 0.657 58.622 58.000 -0.059 0.000 1.348 487 F CB -0.644 38.239 39.000 -0.195 0.000 1.040 487 F HN 0.244 nan 8.300 nan 0.000 0.509 488 L N 0.964 121.741 121.223 -0.742 0.000 2.131 488 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 488 L C 2.677 179.413 176.870 -0.224 0.000 1.092 488 L CA 1.620 56.136 54.840 -0.539 0.000 0.759 488 L CB -0.965 40.744 42.059 -0.585 0.000 0.903 488 L HN 0.496 nan 8.230 nan 0.000 0.435 489 S N -1.719 113.897 115.700 -0.139 0.000 2.603 489 S HA -0.045 4.424 4.470 -0.001 0.000 0.229 489 S C 1.232 175.833 174.600 0.002 0.000 0.972 489 S CA 0.199 58.357 58.200 -0.070 0.000 0.935 489 S CB 0.222 63.395 63.200 -0.045 0.000 0.769 489 S HN 0.205 nan 8.310 nan 0.000 0.536 490 V N 1.153 121.118 119.914 0.084 0.000 3.176 490 V HA 0.457 4.576 4.120 -0.001 0.000 0.332 490 V C 0.015 176.282 176.094 0.287 0.000 1.414 490 V CA -0.615 61.788 62.300 0.172 0.000 1.133 490 V CB -0.240 31.688 31.823 0.176 0.000 1.088 490 V HN 0.487 nan 8.190 nan 0.000 0.473 491 I N 1.963 122.611 120.570 0.131 0.000 2.692 491 I HA 0.086 4.255 4.170 -0.001 0.000 0.284 491 I C 0.649 176.720 176.117 -0.077 0.000 1.159 491 I CA 0.207 61.445 61.300 -0.104 0.000 1.423 491 I CB 0.527 38.365 38.000 -0.271 0.000 1.380 491 I HN 0.253 nan 8.210 nan 0.000 0.580 492 N N 9.010 127.641 118.700 -0.115 0.000 2.402 492 N HA 0.141 4.880 4.740 -0.001 0.000 0.252 492 N C -1.533 173.934 175.510 -0.072 0.000 1.118 492 N CA -2.116 50.902 53.050 -0.053 0.000 0.945 492 N CB 0.841 39.308 38.487 -0.034 0.000 1.147 492 N HN 0.274 nan 8.380 nan 0.000 0.495 493 P HA -0.143 nan 4.420 nan 0.000 0.222 493 P C -0.323 176.952 177.300 -0.041 0.000 1.142 493 P CA 1.314 64.386 63.100 -0.047 0.000 0.788 493 P CB 0.375 32.055 31.700 -0.033 0.000 0.767 494 E N -0.447 119.730 120.200 -0.037 0.000 2.585 494 E HA 0.082 4.431 4.350 -0.001 0.000 0.206 494 E C 1.413 177.992 176.600 -0.034 0.000 1.007 494 E CA -0.080 56.298 56.400 -0.036 0.000 1.028 494 E CB 0.151 29.833 29.700 -0.030 0.000 1.087 494 E HN 0.266 nan 8.360 nan 0.000 0.455 495 S N 0.327 116.007 115.700 -0.033 0.000 2.474 495 S HA -0.075 4.394 4.470 -0.001 0.000 0.235 495 S C 0.651 175.278 174.600 0.045 0.000 0.997 495 S CA 0.212 58.409 58.200 -0.004 0.000 0.949 495 S CB -0.011 63.166 63.200 -0.039 0.000 0.766 495 S HN 0.226 nan 8.310 nan 0.000 0.517 496 L N 0.579 121.792 121.223 -0.018 0.000 2.470 496 L HA 0.799 5.138 4.340 -0.001 0.000 0.268 496 L C -1.293 175.496 176.870 -0.135 0.000 0.964 496 L CA -0.934 53.837 54.840 -0.114 0.000 0.839 496 L CB 2.240 44.270 42.059 -0.048 0.000 1.276 496 L HN 0.020 nan 8.230 nan 0.000 0.403 497 V N 6.560 126.360 119.914 -0.190 0.000 2.569 497 V HA 0.628 4.747 4.120 -0.001 0.000 0.301 497 V C -0.899 175.106 176.094 -0.148 0.000 1.044 497 V CA -0.346 61.877 62.300 -0.128 0.000 0.874 497 V CB 1.811 33.583 31.823 -0.085 0.000 1.002 497 V HN 0.751 nan 8.190 nan 0.000 0.424 498 I N 7.264 127.764 120.570 -0.116 0.000 2.353 498 I HA 0.596 4.766 4.170 -0.001 0.000 0.293 498 I C -0.133 175.935 176.117 -0.082 0.000 0.992 498 I CA -0.624 60.614 61.300 -0.105 0.000 1.268 498 I CB 1.525 39.466 38.000 -0.099 0.000 1.387 498 I HN 0.431 nan 8.210 nan 0.000 0.478 499 K N 5.300 125.656 120.400 -0.074 0.000 2.371 499 K HA 0.445 4.764 4.320 -0.001 0.000 0.251 499 K C -1.013 175.513 176.600 -0.122 0.000 0.934 499 K CA -0.900 55.336 56.287 -0.085 0.000 0.798 499 K CB 2.405 34.867 32.500 -0.064 0.000 1.204 499 K HN 0.386 nan 8.250 nan 0.000 0.427 500 Q N 0.987 120.682 119.800 -0.175 0.000 2.325 500 Q HA 0.587 4.927 4.340 -0.001 0.000 0.262 500 Q C 0.131 175.878 176.000 -0.421 0.000 0.968 500 Q CA -0.467 55.174 55.803 -0.269 0.000 0.877 500 Q CB 1.929 30.511 28.738 -0.260 0.000 1.253 500 Q HN 0.892 nan 8.270 nan 0.000 0.448 501 G N 0.926 109.403 108.800 -0.539 0.000 3.021 501 G HA2 0.758 4.717 3.960 -0.001 0.000 0.290 501 G HA3 0.758 4.717 3.960 -0.001 0.000 0.290 501 G C -1.532 172.727 174.900 -1.067 0.000 1.291 501 G CA -0.461 44.201 45.100 -0.729 0.000 0.834 501 G HN 0.308 nan 8.290 nan 0.000 0.564 502 F N 0.136 119.850 119.950 -0.395 0.000 2.540 502 F HA 0.773 5.299 4.527 -0.001 0.000 0.317 502 F C 0.499 176.081 175.800 -0.364 0.000 1.104 502 F CA -0.728 57.054 58.000 -0.363 0.000 0.913 502 F CB 2.499 41.233 39.000 -0.444 0.000 1.170 502 F HN 0.650 nan 8.300 nan 0.000 0.450 503 A N 1.727 124.438 122.820 -0.181 0.000 2.384 503 A HA 0.669 4.989 4.320 -0.001 0.000 0.312 503 A C -0.686 176.752 177.584 -0.244 0.000 1.113 503 A CA -0.854 50.950 52.037 -0.388 0.000 0.779 503 A CB 0.934 19.589 19.000 -0.575 0.000 1.307 503 A HN 0.807 nan 8.150 nan 0.000 0.436 504 E N 2.377 122.382 120.200 -0.326 0.000 2.392 504 E HA 0.143 4.492 4.350 -0.001 0.000 0.264 504 E C -1.715 174.796 176.600 -0.149 0.000 1.024 504 E CA -1.120 55.142 56.400 -0.229 0.000 0.903 504 E CB 0.513 30.036 29.700 -0.295 0.000 0.963 504 E HN 0.360 nan 8.360 nan 0.000 0.432 505 P HA -0.326 nan 4.420 nan 0.000 0.218 505 P C 1.469 178.757 177.300 -0.021 0.000 1.147 505 P CA 1.621 64.716 63.100 -0.008 0.000 0.827 505 P CB 0.101 31.827 31.700 0.044 0.000 0.778 506 S N -0.329 115.341 115.700 -0.049 0.000 2.380 506 S HA -0.151 4.318 4.470 -0.001 0.000 0.229 506 S C 1.852 176.434 174.600 -0.029 0.000 1.043 506 S CA 1.049 59.231 58.200 -0.029 0.000 1.038 506 S CB -0.826 62.346 63.200 -0.047 0.000 0.872 506 S HN -0.045 nan 8.310 nan 0.000 0.456 507 L N 1.612 122.766 121.223 -0.115 0.000 2.549 507 L HA 0.036 4.376 4.340 -0.001 0.000 0.230 507 L C 2.212 179.110 176.870 0.047 0.000 1.162 507 L CA 1.301 56.072 54.840 -0.115 0.000 0.834 507 L CB -1.512 40.408 42.059 -0.231 0.000 0.947 507 L HN 0.394 nan 8.230 nan 0.000 0.452 508 K N 0.673 121.097 120.400 0.041 0.000 2.218 508 K HA -0.179 4.141 4.320 -0.001 0.000 0.205 508 K C 1.224 177.876 176.600 0.087 0.000 1.046 508 K CA 1.393 57.720 56.287 0.067 0.000 0.933 508 K CB -0.024 32.508 32.500 0.052 0.000 0.728 508 K HN 0.280 nan 8.250 nan 0.000 0.454 509 D N 0.018 120.481 120.400 0.104 0.000 2.349 509 D HA 0.116 4.756 4.640 -0.001 0.000 0.214 509 D C -0.210 176.201 176.300 0.185 0.000 1.063 509 D CA 0.328 54.404 54.000 0.127 0.000 0.847 509 D CB 0.169 41.044 40.800 0.124 0.000 0.933 509 D HN 0.273 nan 8.370 nan 0.000 0.513 510 A N 1.364 124.321 122.820 0.228 0.000 2.587 510 A HA 0.211 4.530 4.320 -0.001 0.000 0.235 510 A C 0.644 178.361 177.584 0.221 0.000 1.044 510 A CA 0.070 52.322 52.037 0.357 0.000 0.754 510 A CB 0.145 19.347 19.000 0.336 0.000 0.968 510 A HN 0.093 nan 8.150 nan 0.000 0.509 511 V N 0.243 120.299 119.914 0.236 0.000 2.667 511 V HA 0.843 4.962 4.120 -0.001 0.000 0.308 511 V C 0.559 176.704 176.094 0.086 0.000 1.048 511 V CA -0.690 61.679 62.300 0.116 0.000 0.928 511 V CB 0.952 32.832 31.823 0.094 0.000 1.004 511 V HN 1.801 nan 8.190 nan 0.000 0.444 512 A N 2.733 125.571 122.820 0.030 0.000 2.561 512 A HA 0.511 4.830 4.320 -0.001 0.000 0.234 512 A C 1.666 179.270 177.584 0.034 0.000 1.055 512 A CA 0.869 52.909 52.037 0.006 0.000 0.756 512 A CB -0.686 18.306 19.000 -0.013 0.000 0.986 512 A HN 2.836 nan 8.150 nan 0.000 0.505 513 G N 1.031 109.851 108.800 0.034 0.000 2.458 513 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.237 513 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.237 513 G C 0.631 175.569 174.900 0.063 0.000 1.113 513 G CA 0.854 45.988 45.100 0.057 0.000 0.655 513 G HN 1.156 nan 8.290 nan 0.000 0.513 514 K N 1.759 122.191 120.400 0.053 0.000 2.416 514 K HA 0.552 4.871 4.320 -0.001 0.000 0.283 514 K C 0.484 177.080 176.600 -0.007 0.000 1.037 514 K CA 0.328 56.605 56.287 -0.016 0.000 0.995 514 K CB 0.340 32.812 32.500 -0.048 0.000 0.938 514 K HN 0.727 nan 8.250 nan 0.000 0.475 515 A N 4.301 127.067 122.820 -0.090 0.000 2.306 515 A HA 0.697 5.017 4.320 -0.001 0.000 0.330 515 A C -1.188 176.313 177.584 -0.138 0.000 1.146 515 A CA -0.684 51.359 52.037 0.010 0.000 0.827 515 A CB 0.385 19.393 19.000 0.013 0.000 1.178 515 A HN 0.641 nan 8.150 nan 0.000 0.490 516 F N -0.651 119.397 119.950 0.163 0.000 2.620 516 F HA 0.511 5.038 4.527 -0.001 0.000 0.320 516 F C 0.262 176.164 175.800 0.170 0.000 1.069 516 F CA -0.435 57.675 58.000 0.182 0.000 0.953 516 F CB 2.192 41.338 39.000 0.244 0.000 1.322 516 F HN 0.598 nan 8.300 nan 0.000 0.479 517 Q N 1.560 121.585 119.800 0.376 0.000 2.325 517 Q HA 0.392 4.731 4.340 -0.001 0.000 0.262 517 Q C -1.725 174.419 176.000 0.240 0.000 0.968 517 Q CA -0.611 55.273 55.803 0.135 0.000 0.877 517 Q CB 0.848 29.588 28.738 0.004 0.000 1.253 517 Q HN 0.452 nan 8.270 nan 0.000 0.448 518 F N 3.267 123.196 119.950 -0.035 0.000 2.368 518 F HA 0.236 4.762 4.527 -0.002 0.000 0.362 518 F C 0.584 176.218 175.800 -0.276 0.000 1.137 518 F CA -0.912 56.934 58.000 -0.256 0.000 1.161 518 F CB 0.304 38.971 39.000 -0.556 0.000 1.265 518 F HN 0.561 nan 8.300 nan 0.000 0.530 519 E N 3.630 123.773 120.200 -0.096 0.000 2.760 519 E HA -0.122 4.227 4.350 -0.001 0.000 0.268 519 E C 0.599 177.059 176.600 -0.234 0.000 0.935 519 E CA 0.646 56.956 56.400 -0.150 0.000 0.960 519 E CB 0.295 29.926 29.700 -0.116 0.000 0.931 519 E HN 0.478 nan 8.360 nan 0.000 0.483 520 R N 1.443 121.872 120.500 -0.119 0.000 3.951 520 R HA -0.229 4.111 4.340 -0.001 0.000 0.352 520 R C 0.102 176.371 176.300 -0.050 0.000 1.178 520 R CA 1.002 57.072 56.100 -0.050 0.000 0.949 520 R CB -1.096 29.253 30.300 0.082 0.000 1.452 520 R HN 0.587 nan 8.270 nan 0.000 0.540 521 E N -1.089 119.075 120.200 -0.059 0.000 3.863 521 E HA 0.361 4.710 4.350 -0.001 0.000 0.197 521 E C 0.960 177.600 176.600 0.066 0.000 1.299 521 E CA 1.140 57.578 56.400 0.062 0.000 1.522 521 E CB 0.547 30.331 29.700 0.139 0.000 1.732 521 E HN 0.340 nan 8.360 nan 0.000 0.560 522 G N -0.213 108.643 108.800 0.093 0.000 2.325 522 G HA2 0.334 4.293 3.960 -0.001 0.000 0.295 522 G HA3 0.334 4.293 3.960 -0.001 0.000 0.295 522 G C -1.912 172.783 174.900 -0.341 0.000 1.274 522 G CA -0.884 44.078 45.100 -0.229 0.000 0.857 522 G HN 0.008 nan 8.290 nan 0.000 0.499 523 Y N -0.150 120.031 120.300 -0.198 0.000 2.320 523 Y HA 0.754 5.303 4.550 -0.002 0.000 0.334 523 Y C -0.161 175.487 175.900 -0.419 0.000 1.055 523 Y CA -0.349 57.659 58.100 -0.154 0.000 1.143 523 Y CB 1.352 39.721 38.460 -0.152 0.000 1.193 523 Y HN 0.369 nan 8.280 nan 0.000 0.477 524 F N 1.503 121.324 119.950 -0.214 0.000 2.611 524 F HA 0.754 5.280 4.527 -0.002 0.000 0.324 524 F C -0.169 175.687 175.800 0.093 0.000 1.061 524 F CA -1.497 56.386 58.000 -0.195 0.000 0.954 524 F CB 1.589 40.161 39.000 -0.712 0.000 1.301 524 F HN 0.618 nan 8.300 nan 0.000 0.482 525 C N 0.614 120.145 119.300 0.385 0.000 3.241 525 C HA 0.798 5.257 4.460 -0.001 0.000 0.312 525 C C -0.227 174.816 174.990 0.088 0.000 1.350 525 C CA -0.793 58.410 59.018 0.309 0.000 1.415 525 C CB 0.707 28.541 27.740 0.156 0.000 1.770 525 C HN 0.965 nan 8.230 nan 0.000 0.466 526 L N 1.668 122.815 121.223 -0.127 0.000 2.656 526 L HA 0.383 4.722 4.340 -0.001 0.000 0.149 526 L C 1.690 178.449 176.870 -0.186 0.000 1.500 526 L CA 2.278 56.864 54.840 -0.423 0.000 2.484 526 L CB -0.562 41.271 42.059 -0.376 0.000 2.776 526 L HN 1.191 nan 8.230 nan 0.000 0.674 527 D N -1.264 119.046 120.400 -0.151 0.000 4.528 527 D HA -0.416 4.223 4.640 -0.001 0.000 0.253 527 D C 0.969 177.220 176.300 -0.080 0.000 0.519 527 D CA 3.167 57.112 54.000 -0.092 0.000 1.128 527 D CB -1.307 39.452 40.800 -0.069 0.000 0.662 527 D HN 0.808 nan 8.370 nan 0.000 0.364 528 S N -1.896 113.765 115.700 -0.065 0.000 3.011 528 S HA -0.410 4.059 4.470 -0.001 0.000 0.278 528 S C 1.150 175.608 174.600 -0.237 0.000 1.300 528 S CA 2.470 60.645 58.200 -0.042 0.000 1.248 528 S CB -1.379 61.877 63.200 0.094 0.000 1.517 528 S HN 0.948 nan 8.310 nan 0.000 0.685 529 R N -0.394 119.970 120.500 -0.226 0.000 3.749 529 R HA -0.226 4.113 4.340 -0.001 0.000 0.476 529 R C 0.539 176.649 176.300 -0.317 0.000 0.814 529 R CA 2.395 58.312 56.100 -0.305 0.000 1.494 529 R CB -2.134 27.918 30.300 -0.413 0.000 2.164 529 R HN 0.771 nan 8.270 nan 0.000 0.473 530 H N -0.820 118.250 119.070 0.001 0.000 2.681 530 H HA 0.329 4.885 4.556 -0.001 0.000 0.268 530 H C 0.356 175.679 175.328 -0.009 0.000 0.967 530 H CA 0.695 56.743 56.048 0.001 0.000 1.233 530 H CB 0.160 29.928 29.762 0.011 0.000 1.445 530 H HN 0.364 nan 8.280 nan 0.000 0.494 531 S N 2.298 118.040 115.700 0.071 0.000 2.544 531 S HA 0.126 4.596 4.470 -0.001 0.000 0.290 531 S C 0.960 175.570 174.600 0.016 0.000 1.276 531 S CA -0.015 58.197 58.200 0.019 0.000 1.075 531 S CB 0.961 64.120 63.200 -0.069 0.000 0.849 531 S HN 0.452 nan 8.310 nan 0.000 0.494 532 T N -0.086 114.482 114.554 0.024 0.000 2.855 532 T HA 0.773 5.122 4.350 -0.001 0.000 0.275 532 T C 1.253 175.965 174.700 0.020 0.000 1.022 532 T CA -0.415 61.698 62.100 0.022 0.000 0.977 532 T CB 0.558 69.442 68.868 0.026 0.000 1.559 532 T HN 0.782 nan 8.240 nan 0.000 0.600 533 A N -0.031 122.802 122.820 0.023 0.000 1.943 533 A HA 0.198 4.517 4.320 -0.001 0.000 0.213 533 A C 2.055 179.657 177.584 0.029 0.000 1.181 533 A CA 0.806 52.858 52.037 0.026 0.000 0.653 533 A CB -0.846 18.169 19.000 0.025 0.000 0.833 533 A HN 0.824 nan 8.150 nan 0.000 0.451 534 E N 0.083 120.298 120.200 0.026 0.000 2.016 534 E HA -0.005 4.345 4.350 -0.001 0.000 0.190 534 E C 0.881 177.497 176.600 0.026 0.000 0.985 534 E CA 1.275 57.690 56.400 0.024 0.000 0.802 534 E CB -0.046 29.666 29.700 0.019 0.000 0.762 534 E HN 0.335 nan 8.360 nan 0.000 0.448 535 K N 1.294 121.708 120.400 0.023 0.000 2.473 535 K HA 0.285 4.605 4.320 -0.001 0.000 0.246 535 K C -2.805 173.818 176.600 0.039 0.000 1.011 535 K CA -2.770 53.531 56.287 0.023 0.000 0.984 535 K CB 1.176 33.680 32.500 0.006 0.000 1.250 535 K HN -0.154 nan 8.250 nan 0.000 0.454 536 P HA 0.066 nan 4.420 nan 0.000 0.271 536 P C -1.081 176.283 177.300 0.106 0.000 1.218 536 P CA -0.509 62.635 63.100 0.074 0.000 0.780 536 P CB 0.963 32.770 31.700 0.178 0.000 0.901 537 V N 3.754 123.676 119.914 0.014 0.000 2.531 537 V HA 0.431 4.551 4.120 -0.001 0.000 0.301 537 V C -0.619 175.457 176.094 -0.030 0.000 1.034 537 V CA -0.303 62.049 62.300 0.086 0.000 0.865 537 V CB 1.001 32.889 31.823 0.107 0.000 0.995 537 V HN 0.352 nan 8.190 nan 0.000 0.424 538 F N 2.927 122.964 119.950 0.146 0.000 2.482 538 F HA 0.541 5.067 4.527 -0.001 0.000 0.331 538 F C 0.486 176.444 175.800 0.264 0.000 1.115 538 F CA -0.697 57.429 58.000 0.209 0.000 0.955 538 F CB 1.782 40.931 39.000 0.248 0.000 1.136 538 F HN 0.373 nan 8.300 nan 0.000 0.452 539 N N 2.436 121.372 118.700 0.394 0.000 2.438 539 N HA 0.217 4.956 4.740 -0.001 0.000 0.282 539 N C -0.405 175.248 175.510 0.238 0.000 1.037 539 N CA -0.580 52.705 53.050 0.392 0.000 0.942 539 N CB 1.662 40.341 38.487 0.320 0.000 1.136 539 N HN 0.561 nan 8.380 nan 0.000 0.481 540 R N 1.624 122.187 120.500 0.104 0.000 2.288 540 R HA 0.098 4.438 4.340 -0.001 0.000 0.330 540 R C 0.500 176.671 176.300 -0.215 0.000 1.069 540 R CA 0.048 55.837 56.100 -0.519 0.000 0.941 540 R CB 0.202 30.194 30.300 -0.515 0.000 0.998 540 R HN 0.500 nan 8.270 nan 0.000 0.452 541 T N 2.140 116.528 114.554 -0.277 0.000 2.737 541 T HA -0.051 4.298 4.350 -0.001 0.000 0.265 541 T C 0.407 175.019 174.700 -0.147 0.000 1.038 541 T CA 1.030 63.034 62.100 -0.160 0.000 1.144 541 T CB 0.091 68.837 68.868 -0.203 0.000 0.866 541 T HN 0.398 nan 8.240 nan 0.000 0.434 542 V N -0.449 119.357 119.914 -0.180 0.000 3.108 542 V HA 0.603 4.722 4.120 -0.001 0.000 0.287 542 V C -0.581 175.456 176.094 -0.096 0.000 1.436 542 V CA -0.728 61.519 62.300 -0.088 0.000 1.001 542 V CB 1.679 33.476 31.823 -0.043 0.000 1.141 542 V HN 0.421 nan 8.190 nan 0.000 0.443 543 G N 3.563 112.323 108.800 -0.067 0.000 2.572 543 G HA2 0.532 4.491 3.960 -0.001 0.000 0.261 543 G HA3 0.532 4.491 3.960 -0.001 0.000 0.261 543 G C -0.692 174.197 174.900 -0.019 0.000 1.197 543 G CA -0.491 44.572 45.100 -0.062 0.000 0.870 543 G HN 0.678 nan 8.290 nan 0.000 0.548 544 L N -0.143 121.051 121.223 -0.048 0.000 2.436 544 L HA 0.301 4.640 4.340 -0.001 0.000 0.265 544 L C 1.375 178.256 176.870 0.020 0.000 1.168 544 L CA -0.357 54.467 54.840 -0.027 0.000 0.815 544 L CB 0.950 42.965 42.059 -0.073 0.000 1.109 544 L HN 0.591 nan 8.230 nan 0.000 0.462 545 R N 1.784 122.310 120.500 0.043 0.000 2.457 545 R HA 0.013 4.353 4.340 -0.001 0.000 0.335 545 R C -0.993 175.326 176.300 0.031 0.000 1.003 545 R CA 0.089 56.214 56.100 0.043 0.000 1.003 545 R CB -0.301 30.030 30.300 0.051 0.000 0.950 545 R HN 0.557 nan 8.270 nan 0.000 0.428 546 D N 3.513 123.930 120.400 0.028 0.000 2.441 546 D HA 0.162 4.801 4.640 -0.001 0.000 0.231 546 D C -0.478 175.839 176.300 0.028 0.000 1.073 546 D CA -0.325 53.690 54.000 0.026 0.000 0.850 546 D CB 1.080 41.896 40.800 0.026 0.000 1.062 546 D HN 0.555 nan 8.370 nan 0.000 0.524 547 T N 0.000 114.570 114.554 0.027 0.000 3.816 547 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 547 T CA 0.000 62.117 62.100 0.028 0.000 1.349 547 T CB 0.000 68.885 68.868 0.028 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658