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 1nyl_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI cLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPXKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFcKRIGVXK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNXPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXXVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHXTAEKPV FNRTVGLRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.699 174.700 -0.002 0.000 1.109 8 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 8 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 9 N N 1.999 120.679 118.700 -0.032 0.000 2.444 9 N HA 0.211 4.951 4.740 -0.000 0.000 0.255 9 N C 1.224 176.684 175.510 -0.083 0.000 1.255 9 N CA -0.126 52.917 53.050 -0.013 0.000 0.933 9 N CB 0.104 38.519 38.487 -0.121 0.000 1.143 9 N HN 0.266 nan 8.380 nan 0.000 0.453 10 F N -0.136 119.790 119.950 -0.040 0.000 2.154 10 F HA -0.049 4.477 4.527 -0.000 0.000 0.301 10 F C 1.884 177.614 175.800 -0.117 0.000 1.087 10 F CA 0.619 58.585 58.000 -0.058 0.000 1.274 10 F CB -0.778 38.200 39.000 -0.035 0.000 1.009 10 F HN 0.367 nan 8.300 nan 0.000 0.485 11 I N 0.668 120.494 120.570 -1.241 0.000 2.142 11 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 11 I C 2.754 178.559 176.117 -0.521 0.000 1.078 11 I CA 1.616 62.379 61.300 -0.895 0.000 1.343 11 I CB -0.511 36.971 38.000 -0.863 0.000 1.046 11 I HN 0.096 nan 8.210 nan 0.000 0.405 12 R N 0.193 120.475 120.500 -0.364 0.000 2.127 12 R HA -0.244 4.095 4.340 -0.000 0.000 0.238 12 R C 2.262 178.481 176.300 -0.136 0.000 1.134 12 R CA 1.404 57.401 56.100 -0.172 0.000 0.975 12 R CB -0.328 29.948 30.300 -0.040 0.000 0.865 12 R HN 0.473 nan 8.270 nan 0.000 0.447 13 Q N 0.634 120.350 119.800 -0.139 0.000 2.172 13 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 13 Q C 1.859 177.797 176.000 -0.103 0.000 0.964 13 Q CA 1.060 56.818 55.803 -0.075 0.000 0.855 13 Q CB 0.167 28.890 28.738 -0.025 0.000 0.918 13 Q HN 0.377 nan 8.270 nan 0.000 0.444 14 I N 0.119 120.576 120.570 -0.189 0.000 2.500 14 I HA -0.210 3.960 4.170 -0.000 0.000 0.252 14 I C 1.921 177.912 176.117 -0.209 0.000 1.142 14 I CA 0.640 61.825 61.300 -0.191 0.000 1.451 14 I CB -0.066 37.726 38.000 -0.346 0.000 1.093 14 I HN 0.244 nan 8.210 nan 0.000 0.430 15 I N 0.524 120.873 120.570 -0.368 0.000 2.315 15 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 15 I C 2.050 177.996 176.117 -0.286 0.000 1.117 15 I CA 1.149 62.159 61.300 -0.483 0.000 1.404 15 I CB -0.538 36.953 38.000 -0.848 0.000 1.071 15 I HN 0.235 nan 8.210 nan 0.000 0.419 16 D N 1.158 121.448 120.400 -0.183 0.000 2.116 16 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 16 D C 1.968 178.252 176.300 -0.027 0.000 0.998 16 D CA 1.443 55.413 54.000 -0.049 0.000 0.836 16 D CB -0.166 40.641 40.800 0.012 0.000 0.951 16 D HN 0.455 nan 8.370 nan 0.000 0.449 17 E N 0.790 120.975 120.200 -0.026 0.000 2.007 17 E HA -0.161 4.189 4.350 -0.000 0.000 0.203 17 E C 1.084 177.700 176.600 0.027 0.000 1.020 17 E CA 1.068 57.471 56.400 0.005 0.000 0.845 17 E CB -0.088 29.618 29.700 0.011 0.000 0.779 17 E HN 0.258 nan 8.360 nan 0.000 0.466 18 D N 0.296 120.735 120.400 0.065 0.000 2.404 18 D HA -0.082 4.557 4.640 -0.000 0.000 0.256 18 D C 1.051 177.418 176.300 0.111 0.000 1.189 18 D CA 0.487 54.559 54.000 0.120 0.000 0.965 18 D CB 0.193 41.190 40.800 0.329 0.000 0.901 18 D HN 0.057 nan 8.370 nan 0.000 0.517 19 L N -0.647 120.605 121.223 0.049 0.000 2.624 19 L HA 0.283 4.623 4.340 -0.000 0.000 0.222 19 L C 1.874 178.765 176.870 0.035 0.000 1.046 19 L CA 0.454 55.318 54.840 0.040 0.000 0.872 19 L CB -0.064 41.996 42.059 0.003 0.000 1.190 19 L HN -0.039 nan 8.230 nan 0.000 0.487 20 A N -1.193 121.643 122.820 0.026 0.000 1.878 20 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 20 A C 2.132 179.724 177.584 0.014 0.000 1.310 20 A CA 1.226 53.276 52.037 0.021 0.000 0.612 20 A CB -0.931 18.080 19.000 0.019 0.000 0.989 20 A HN 0.278 nan 8.150 nan 0.000 0.472 21 S N -1.120 114.586 115.700 0.010 0.000 2.428 21 S HA 0.032 4.501 4.470 -0.000 0.000 0.240 21 S C 1.575 176.172 174.600 -0.006 0.000 1.036 21 S CA 1.852 60.053 58.200 0.002 0.000 1.009 21 S CB -0.338 62.863 63.200 0.001 0.000 0.803 21 S HN 1.797 nan 8.310 nan 0.000 0.486 22 G N 0.369 109.167 108.800 -0.003 0.000 2.253 22 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.209 22 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.209 22 G C 0.793 175.663 174.900 -0.050 0.000 0.997 22 G CA 0.525 45.616 45.100 -0.014 0.000 0.640 22 G HN 0.422 nan 8.290 nan 0.000 0.496 23 K N -0.120 120.233 120.400 -0.079 0.000 2.189 23 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 23 K C 0.623 176.965 176.600 -0.430 0.000 1.046 23 K CA 1.773 57.930 56.287 -0.217 0.000 0.928 23 K CB -0.138 32.261 32.500 -0.169 0.000 0.720 23 K HN 0.583 nan 8.250 nan 0.000 0.458 24 H N -2.829 116.241 119.070 -0.000 0.000 2.980 24 H HA 0.073 4.629 4.556 -0.000 0.000 0.367 24 H C 0.531 175.865 175.328 0.010 0.000 1.206 24 H CA 0.154 56.203 56.048 0.001 0.000 1.126 24 H CB 2.095 31.867 29.762 0.018 0.000 1.838 24 H HN 0.111 nan 8.280 nan 0.000 0.552 25 T N -1.910 112.741 114.554 0.161 0.000 3.087 25 T HA 0.065 4.414 4.350 -0.000 0.000 0.237 25 T C 1.038 175.788 174.700 0.082 0.000 0.990 25 T CA 1.132 63.288 62.100 0.093 0.000 1.160 25 T CB 0.082 68.993 68.868 0.071 0.000 0.923 25 T HN 0.628 nan 8.240 nan 0.000 0.442 26 T N 0.536 115.140 114.554 0.083 0.000 2.708 26 T HA 0.718 5.067 4.350 -0.000 0.000 0.256 26 T C -0.427 174.290 174.700 0.029 0.000 0.946 26 T CA -0.050 62.083 62.100 0.055 0.000 1.039 26 T CB 1.179 70.078 68.868 0.052 0.000 1.557 26 T HN 0.945 nan 8.240 nan 0.000 0.576 27 V N -0.832 119.087 119.914 0.009 0.000 2.733 27 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 27 V C -1.526 174.572 176.094 0.006 0.000 1.084 27 V CA -0.766 61.532 62.300 -0.002 0.000 0.905 27 V CB 1.528 33.301 31.823 -0.084 0.000 1.010 27 V HN 1.151 nan 8.190 nan 0.000 0.424 28 H N 3.627 122.682 119.070 -0.024 0.000 2.906 28 H HA 0.729 5.285 4.556 -0.000 0.000 0.324 28 H C -0.238 175.065 175.328 -0.042 0.000 0.973 28 H CA 0.630 56.659 56.048 -0.030 0.000 1.321 28 H CB 1.962 31.700 29.762 -0.040 0.000 1.535 28 H HN 1.160 nan 8.280 nan 0.000 0.518 29 T N 1.945 116.566 114.554 0.113 0.000 2.841 29 T HA 0.809 5.159 4.350 -0.000 0.000 0.276 29 T C 0.013 174.709 174.700 -0.006 0.000 1.003 29 T CA -0.988 61.129 62.100 0.029 0.000 0.995 29 T CB 2.742 71.570 68.868 -0.067 0.000 1.260 29 T HN 0.621 nan 8.240 nan 0.000 0.581 30 R N -0.202 120.249 120.500 -0.082 0.000 2.716 30 R HA 0.594 4.934 4.340 -0.000 0.000 0.271 30 R C -2.429 173.826 176.300 -0.076 0.000 1.028 30 R CA -1.179 54.853 56.100 -0.112 0.000 0.883 30 R CB 0.501 30.756 30.300 -0.074 0.000 1.250 30 R HN 0.728 nan 8.270 nan 0.000 0.465 31 F N 3.223 123.010 119.950 -0.273 0.000 2.500 31 F HA 0.591 5.118 4.527 -0.000 0.000 0.349 31 F C -2.487 173.227 175.800 -0.144 0.000 1.127 31 F CA -2.640 55.249 58.000 -0.185 0.000 0.998 31 F CB 2.389 41.283 39.000 -0.177 0.000 1.237 31 F HN 0.376 nan 8.300 nan 0.000 0.439 32 P HA 0.277 nan 4.420 nan 0.000 0.227 32 P C -2.577 174.356 177.300 -0.611 0.000 1.815 32 P CA -1.311 61.540 63.100 -0.415 0.000 1.134 32 P CB 0.966 32.620 31.700 -0.076 0.000 1.795 33 P HA 0.114 nan 4.420 nan 0.000 0.298 33 P C -0.323 176.817 177.300 -0.268 0.000 1.404 33 P CA 0.770 63.453 63.100 -0.695 0.000 0.795 33 P CB 0.584 31.891 31.700 -0.655 0.000 1.842 34 E N -1.639 118.483 120.200 -0.130 0.000 2.531 34 E HA 0.189 4.538 4.350 -0.000 0.000 0.323 34 E C -2.570 173.967 176.600 -0.105 0.000 0.908 34 E CA -1.306 55.044 56.400 -0.083 0.000 0.792 34 E CB 1.346 30.966 29.700 -0.134 0.000 1.360 34 E HN 0.148 nan 8.360 nan 0.000 0.394 35 P HA 0.008 nan 4.420 nan 0.000 0.285 35 P C 0.670 177.730 177.300 -0.400 0.000 1.521 35 P CA 0.512 63.499 63.100 -0.188 0.000 0.792 35 P CB -0.142 31.483 31.700 -0.126 0.000 1.613 36 N N -1.270 117.103 118.700 -0.545 0.000 2.227 36 N HA 0.129 4.868 4.740 -0.000 0.000 0.196 36 N C 0.578 175.451 175.510 -1.060 0.000 1.142 36 N CA 0.187 52.852 53.050 -0.643 0.000 0.887 36 N CB 0.607 38.895 38.487 -0.332 0.000 1.022 36 N HN 0.064 nan 8.380 nan 0.000 0.500 37 G N -0.958 107.151 108.800 -1.151 0.000 2.663 37 G HA2 0.489 4.449 3.960 -0.000 0.000 0.299 37 G HA3 0.489 4.449 3.960 -0.000 0.000 0.299 37 G C -2.050 172.392 174.900 -0.764 0.000 1.372 37 G CA -0.774 43.683 45.100 -1.071 0.000 0.781 37 G HN 0.069 nan 8.290 nan 0.000 0.491 38 Y N -0.488 119.533 120.300 -0.466 0.000 2.352 38 Y HA 0.482 5.031 4.550 -0.000 0.000 0.326 38 Y C 0.267 175.992 175.900 -0.291 0.000 1.166 38 Y CA -1.161 56.766 58.100 -0.288 0.000 1.182 38 Y CB 1.622 39.896 38.460 -0.310 0.000 1.216 38 Y HN 0.109 nan 8.280 nan 0.000 0.474 39 L N 3.906 125.088 121.223 -0.068 0.000 2.410 39 L HA 0.070 4.409 4.340 -0.000 0.000 0.273 39 L C 0.175 177.074 176.870 0.048 0.000 1.144 39 L CA -0.192 54.488 54.840 -0.265 0.000 0.863 39 L CB -0.906 41.115 42.059 -0.062 0.000 1.140 39 L HN 0.724 nan 8.230 nan 0.000 0.463 40 H N 1.124 120.445 119.070 0.417 0.000 2.994 40 H HA 0.417 4.973 4.556 -0.000 0.000 0.276 40 H C 1.032 176.537 175.328 0.296 0.000 1.575 40 H CA -0.854 55.388 56.048 0.324 0.000 1.583 40 H CB 0.410 30.357 29.762 0.309 0.000 1.735 40 H HN 0.444 nan 8.280 nan 0.000 0.901 41 I N -0.034 120.823 120.570 0.478 0.000 2.830 41 I HA -0.020 4.150 4.170 -0.000 0.000 0.263 41 I C 1.874 178.238 176.117 0.412 0.000 1.230 41 I CA 1.268 62.769 61.300 0.335 0.000 1.480 41 I CB -0.554 37.540 38.000 0.156 0.000 1.095 41 I HN 0.830 nan 8.210 nan 0.000 0.455 42 G N -0.367 108.817 108.800 0.640 0.000 2.402 42 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 42 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 42 G C 1.186 176.245 174.900 0.265 0.000 1.162 42 G CA 0.754 46.099 45.100 0.409 0.000 0.777 42 G HN 0.482 nan 8.290 nan 0.000 0.539 43 H N 0.762 119.974 119.070 0.235 0.000 2.489 43 H HA 0.122 4.678 4.556 -0.000 0.000 0.295 43 H C 2.733 178.127 175.328 0.110 0.000 1.082 43 H CA 0.956 57.110 56.048 0.177 0.000 1.295 43 H CB 0.019 29.847 29.762 0.109 0.000 1.380 43 H HN 0.417 nan 8.280 nan 0.000 0.548 44 A N 0.959 123.921 122.820 0.237 0.000 1.972 44 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 44 A C 2.200 179.815 177.584 0.052 0.000 1.169 44 A CA 1.726 53.856 52.037 0.155 0.000 0.635 44 A CB -0.406 18.736 19.000 0.236 0.000 0.810 44 A HN 0.415 nan 8.150 nan 0.000 0.446 45 K N -0.343 120.094 120.400 0.062 0.000 2.002 45 K HA -0.136 4.183 4.320 -0.000 0.000 0.209 45 K C 2.373 178.808 176.600 -0.275 0.000 1.048 45 K CA 1.654 57.895 56.287 -0.076 0.000 0.930 45 K CB -0.284 32.208 32.500 -0.013 0.000 0.714 45 K HN 0.404 nan 8.250 nan 0.000 0.438 46 S N 0.445 116.029 115.700 -0.195 0.000 2.368 46 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 46 S C 1.953 176.370 174.600 -0.306 0.000 1.030 46 S CA 1.163 59.219 58.200 -0.241 0.000 0.999 46 S CB -0.322 63.082 63.200 0.340 0.000 0.844 46 S HN 0.365 nan 8.310 nan 0.000 0.459 47 I N 0.889 121.210 120.570 -0.416 0.000 2.163 47 I HA -0.230 3.939 4.170 -0.000 0.000 0.243 47 I C 2.573 178.399 176.117 -0.485 0.000 1.085 47 I CA 1.149 62.115 61.300 -0.557 0.000 1.347 47 I CB -0.633 37.088 38.000 -0.464 0.000 1.044 47 I HN 0.426 nan 8.210 nan 0.000 0.408 48 c N 0.570 118.923 118.600 -0.412 0.000 2.425 48 c HA -0.110 4.460 4.570 -0.000 0.000 0.277 48 c C 2.746 176.615 174.090 -0.367 0.000 1.280 48 c CA 0.631 56.712 56.329 -0.413 0.000 1.744 48 c CB -0.898 41.524 42.510 -0.147 0.000 1.989 48 c HN 0.439 nan 8.230 nan 0.000 0.491 49 L N 0.629 121.634 121.223 -0.362 0.000 2.072 49 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 49 L C 2.411 179.110 176.870 -0.285 0.000 1.079 49 L CA 1.192 55.832 54.840 -0.332 0.000 0.752 49 L CB -0.699 41.086 42.059 -0.458 0.000 0.906 49 L HN 0.393 nan 8.230 nan 0.000 0.436 50 N N -0.256 118.254 118.700 -0.317 0.000 2.171 50 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 50 N C 1.808 177.084 175.510 -0.391 0.000 1.021 50 N CA 1.466 54.323 53.050 -0.321 0.000 0.854 50 N CB -0.098 38.189 38.487 -0.333 0.000 0.994 50 N HN 0.200 nan 8.380 nan 0.000 0.426 51 F N 0.730 120.436 119.950 -0.406 0.000 2.262 51 F HA 0.183 4.709 4.527 -0.000 0.000 0.292 51 F C 2.553 178.178 175.800 -0.291 0.000 1.081 51 F CA 0.687 58.456 58.000 -0.385 0.000 1.355 51 F CB -0.905 37.673 39.000 -0.703 0.000 1.069 51 F HN 0.004 nan 8.300 nan 0.000 0.506 52 G N 0.599 109.276 108.800 -0.205 0.000 2.459 52 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 52 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 52 G C 1.808 176.695 174.900 -0.022 0.000 1.183 52 G CA 1.081 46.153 45.100 -0.047 0.000 0.776 52 G HN 0.334 nan 8.290 nan 0.000 0.552 53 I N 1.323 121.857 120.570 -0.060 0.000 2.335 53 I HA -0.210 3.959 4.170 -0.000 0.000 0.251 53 I C 3.155 179.321 176.117 0.081 0.000 1.129 53 I CA 0.938 62.244 61.300 0.010 0.000 1.402 53 I CB -0.021 37.946 38.000 -0.055 0.000 1.069 53 I HN 0.277 nan 8.210 nan 0.000 0.424 54 A N 0.381 123.211 122.820 0.017 0.000 1.968 54 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 54 A C 2.179 179.803 177.584 0.066 0.000 1.169 54 A CA 1.328 53.383 52.037 0.030 0.000 0.638 54 A CB -0.452 18.534 19.000 -0.024 0.000 0.812 54 A HN 0.647 nan 8.150 nan 0.000 0.446 55 Q N -1.171 118.676 119.800 0.077 0.000 2.424 55 Q HA -0.016 4.324 4.340 -0.000 0.000 0.204 55 Q C 0.654 176.668 176.000 0.023 0.000 0.933 55 Q CA 0.967 56.815 55.803 0.074 0.000 0.929 55 Q CB -0.152 28.653 28.738 0.111 0.000 1.037 55 Q HN 0.417 nan 8.270 nan 0.000 0.511 56 D N 1.099 121.493 120.400 -0.010 0.000 2.085 56 D HA -0.098 4.541 4.640 -0.000 0.000 0.199 56 D C 0.246 176.420 176.300 -0.209 0.000 0.981 56 D CA 1.067 54.974 54.000 -0.154 0.000 0.834 56 D CB -0.117 40.521 40.800 -0.270 0.000 0.992 56 D HN 0.335 nan 8.370 nan 0.000 0.457 57 Y N 1.094 121.368 120.300 -0.043 0.000 2.706 57 Y HA 0.179 4.729 4.550 -0.000 0.000 0.362 57 Y C 0.053 175.938 175.900 -0.025 0.000 1.107 57 Y CA -0.150 57.928 58.100 -0.037 0.000 1.477 57 Y CB -0.692 37.739 38.460 -0.049 0.000 1.326 57 Y HN -0.220 nan 8.280 nan 0.000 0.499 58 K N 0.902 121.341 120.400 0.065 0.000 4.444 58 K HA -0.212 4.107 4.320 -0.000 0.000 0.281 58 K C 0.546 177.178 176.600 0.053 0.000 0.817 58 K CA 0.649 56.964 56.287 0.046 0.000 0.793 58 K CB -1.212 31.306 32.500 0.030 0.000 1.784 58 K HN 0.734 nan 8.250 nan 0.000 0.424 59 G N 0.296 109.122 108.800 0.043 0.000 3.058 59 G HA2 0.527 4.487 3.960 -0.000 0.000 0.282 59 G HA3 0.527 4.487 3.960 -0.000 0.000 0.282 59 G C -1.278 173.578 174.900 -0.074 0.000 1.248 59 G CA -0.451 44.643 45.100 -0.009 0.000 0.822 59 G HN 0.117 nan 8.290 nan 0.000 0.579 60 Q N -1.409 118.257 119.800 -0.224 0.000 2.458 60 Q HA 0.599 4.939 4.340 -0.000 0.000 0.282 60 Q C -1.386 174.435 176.000 -0.298 0.000 1.106 60 Q CA -0.556 55.052 55.803 -0.324 0.000 0.814 60 Q CB 2.143 30.527 28.738 -0.589 0.000 1.425 60 Q HN 0.659 nan 8.270 nan 0.000 0.437 61 C N 2.353 121.578 119.300 -0.124 0.000 2.516 61 C HA 0.579 5.039 4.460 -0.000 0.000 0.338 61 C C -1.040 173.967 174.990 0.028 0.000 1.132 61 C CA -0.530 58.425 59.018 -0.104 0.000 1.310 61 C CB 0.299 27.841 27.740 -0.330 0.000 1.898 61 C HN 0.758 nan 8.230 nan 0.000 0.452 62 N N 2.892 121.641 118.700 0.083 0.000 2.458 62 N HA 0.592 5.332 4.740 -0.000 0.000 0.271 62 N C -1.026 174.502 175.510 0.029 0.000 1.210 62 N CA -0.488 52.646 53.050 0.141 0.000 0.978 62 N CB 1.370 39.939 38.487 0.136 0.000 1.206 62 N HN 0.673 nan 8.380 nan 0.000 0.536 63 L N 0.580 121.804 121.223 0.001 0.000 2.353 63 L HA 0.375 4.715 4.340 -0.000 0.000 0.270 63 L C -0.412 176.210 176.870 -0.413 0.000 1.003 63 L CA -0.358 54.358 54.840 -0.206 0.000 0.862 63 L CB 0.451 42.301 42.059 -0.347 0.000 1.221 63 L HN 0.478 nan 8.230 nan 0.000 0.430 64 R N 4.326 124.585 120.500 -0.401 0.000 2.310 64 R HA 0.486 4.825 4.340 -0.000 0.000 0.324 64 R C -1.305 174.735 176.300 -0.433 0.000 0.955 64 R CA -0.498 55.387 56.100 -0.359 0.000 0.830 64 R CB 0.634 30.841 30.300 -0.153 0.000 1.154 64 R HN 0.419 nan 8.270 nan 0.000 0.458 65 F N 1.526 121.271 119.950 -0.342 0.000 2.370 65 F HA 0.190 4.716 4.527 -0.000 0.000 0.324 65 F C 0.704 176.474 175.800 -0.051 0.000 1.116 65 F CA -0.147 57.714 58.000 -0.233 0.000 1.123 65 F CB 0.983 39.808 39.000 -0.293 0.000 1.238 65 F HN 0.453 nan 8.300 nan 0.000 0.536 66 D N 1.339 121.879 120.400 0.234 0.000 2.464 66 D HA 0.121 4.761 4.640 -0.000 0.000 0.243 66 D C -0.280 176.160 176.300 0.234 0.000 1.104 66 D CA -0.475 53.655 54.000 0.218 0.000 0.883 66 D CB 0.322 41.235 40.800 0.188 0.000 1.050 66 D HN 0.513 nan 8.370 nan 0.000 0.524 67 D N 1.686 122.274 120.400 0.313 0.000 2.427 67 D HA -0.049 4.590 4.640 -0.000 0.000 0.224 67 D C 1.226 177.774 176.300 0.414 0.000 1.157 67 D CA -0.197 54.004 54.000 0.335 0.000 0.828 67 D CB 0.236 41.287 40.800 0.419 0.000 0.974 67 D HN 0.260 nan 8.370 nan 0.000 0.498 68 T N 0.559 115.330 114.554 0.362 0.000 2.737 68 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 68 T C 0.735 175.614 174.700 0.298 0.000 1.040 68 T CA 0.801 63.176 62.100 0.458 0.000 1.142 68 T CB -0.459 68.614 68.868 0.342 0.000 0.861 68 T HN 0.147 nan 8.240 nan 0.000 0.456 69 N N 3.457 122.235 118.700 0.131 0.000 2.406 69 N HA 0.157 4.897 4.740 -0.000 0.000 0.274 69 N C -2.220 173.233 175.510 -0.096 0.000 1.249 69 N CA -0.711 52.323 53.050 -0.027 0.000 0.951 69 N CB 1.062 39.534 38.487 -0.026 0.000 1.241 69 N HN 0.533 nan 8.380 nan 0.000 0.485 73 E N 0.839 120.837 120.200 -0.338 0.000 2.204 73 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 73 E C 0.850 177.354 176.600 -0.159 0.000 0.990 73 E CA 0.817 57.020 56.400 -0.327 0.000 0.821 73 E CB -0.473 28.909 29.700 -0.531 0.000 0.750 73 E HN 0.980 nan 8.360 nan 0.000 0.477 74 D N -0.805 119.506 120.400 -0.149 0.000 2.803 74 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 74 D C -0.149 176.046 176.300 -0.176 0.000 1.182 74 D CA 0.699 54.619 54.000 -0.134 0.000 0.726 74 D CB -1.863 38.888 40.800 -0.081 0.000 0.987 74 D HN 0.613 nan 8.370 nan 0.000 0.412 75 I N 1.434 121.905 120.570 -0.165 0.000 3.138 75 I HA -0.017 4.153 4.170 -0.000 0.000 0.286 75 I C 1.264 177.276 176.117 -0.176 0.000 1.194 75 I CA 1.704 62.912 61.300 -0.154 0.000 1.392 75 I CB -0.352 37.578 38.000 -0.116 0.000 1.476 75 I HN 0.471 nan 8.210 nan 0.000 0.579 76 E N 3.953 124.025 120.200 -0.213 0.000 1.790 76 E HA -0.121 4.228 4.350 -0.000 0.000 0.239 76 E C 0.692 177.183 176.600 -0.182 0.000 1.072 76 E CA -0.306 55.959 56.400 -0.225 0.000 1.530 76 E CB -0.608 28.883 29.700 -0.348 0.000 4.031 76 E HN 0.289 nan 8.360 nan 0.000 0.911 77 Y N 2.575 122.762 120.300 -0.188 0.000 2.128 77 Y HA -0.170 4.380 4.550 -0.000 0.000 0.284 77 Y C 2.850 178.620 175.900 -0.217 0.000 1.154 77 Y CA 1.961 59.929 58.100 -0.221 0.000 1.149 77 Y CB -0.675 37.579 38.460 -0.343 0.000 0.976 77 Y HN 0.243 nan 8.280 nan 0.000 0.505 78 V N -0.130 119.617 119.914 -0.278 0.000 2.332 78 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 78 V C 1.753 177.758 176.094 -0.149 0.000 1.055 78 V CA 2.307 64.193 62.300 -0.690 0.000 1.038 78 V CB -1.037 30.246 31.823 -0.899 0.000 0.651 78 V HN 0.590 nan 8.190 nan 0.000 0.450 79 E N 1.359 121.523 120.200 -0.060 0.000 2.152 79 E HA -0.152 4.197 4.350 -0.000 0.000 0.192 79 E C 2.356 179.014 176.600 0.097 0.000 0.983 79 E CA 1.345 57.771 56.400 0.044 0.000 0.818 79 E CB -0.470 29.244 29.700 0.022 0.000 0.758 79 E HN 0.620 nan 8.360 nan 0.000 0.467 80 S N 0.841 116.600 115.700 0.099 0.000 2.383 80 S HA -0.066 4.403 4.470 -0.000 0.000 0.227 80 S C 2.000 176.711 174.600 0.185 0.000 1.026 80 S CA 0.560 58.848 58.200 0.147 0.000 0.981 80 S CB -0.233 63.139 63.200 0.286 0.000 0.818 80 S HN 0.297 nan 8.310 nan 0.000 0.472 81 I N 0.869 121.582 120.570 0.239 0.000 2.333 81 I HA -0.094 4.075 4.170 -0.000 0.000 0.246 81 I C 2.495 178.791 176.117 0.299 0.000 1.106 81 I CA 0.990 62.465 61.300 0.292 0.000 1.411 81 I CB -0.183 38.071 38.000 0.423 0.000 1.082 81 I HN 0.251 nan 8.210 nan 0.000 0.420 82 K N 0.711 121.288 120.400 0.294 0.000 2.057 82 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 82 K C 1.825 178.674 176.600 0.414 0.000 1.049 82 K CA 1.715 58.194 56.287 0.319 0.000 0.931 82 K CB -0.254 32.412 32.500 0.276 0.000 0.714 82 K HN 0.235 nan 8.250 nan 0.000 0.440 83 N N 0.999 119.866 118.700 0.279 0.000 2.106 83 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 83 N C 1.252 176.892 175.510 0.217 0.000 1.029 83 N CA 1.452 54.633 53.050 0.218 0.000 0.848 83 N CB -0.231 38.330 38.487 0.124 0.000 1.007 83 N HN 0.104 nan 8.380 nan 0.000 0.423 84 D N -0.464 120.046 120.400 0.184 0.000 2.149 84 D HA -0.086 4.553 4.640 -0.000 0.000 0.198 84 D C 1.818 178.295 176.300 0.295 0.000 0.990 84 D CA 0.555 54.670 54.000 0.192 0.000 0.839 84 D CB -0.148 40.736 40.800 0.139 0.000 0.948 84 D HN 0.030 nan 8.370 nan 0.000 0.460 85 V N 0.727 120.803 119.914 0.270 0.000 2.379 85 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 85 V C 2.111 178.278 176.094 0.122 0.000 1.044 85 V CA 1.531 63.954 62.300 0.205 0.000 1.036 85 V CB -0.401 31.567 31.823 0.243 0.000 0.664 85 V HN 0.228 nan 8.190 nan 0.000 0.453 86 E N -1.054 119.253 120.200 0.179 0.000 2.107 86 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 86 E C 1.943 178.564 176.600 0.036 0.000 0.982 86 E CA 1.370 57.800 56.400 0.049 0.000 0.809 86 E CB -0.249 29.500 29.700 0.083 0.000 0.756 86 E HN 0.755 nan 8.360 nan 0.000 0.459 87 W N 1.915 123.189 121.300 -0.044 0.000 2.342 87 W HA -0.172 4.488 4.660 -0.000 0.000 0.297 87 W C 1.634 178.074 176.519 -0.131 0.000 1.213 87 W CA 1.304 58.611 57.345 -0.063 0.000 1.251 87 W CB -0.183 29.265 29.460 -0.021 0.000 1.136 87 W HN -0.043 nan 8.180 nan 0.000 0.526 88 L N 0.280 121.428 121.223 -0.125 0.000 2.265 88 L HA 0.016 4.356 4.340 -0.000 0.000 0.215 88 L C 2.015 178.373 176.870 -0.853 0.000 1.117 88 L CA 1.396 55.976 54.840 -0.433 0.000 0.782 88 L CB -1.054 40.981 42.059 -0.041 0.000 0.914 88 L HN 0.391 nan 8.230 nan 0.000 0.441 89 G N -1.349 106.991 108.800 -0.765 0.000 2.159 89 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.170 89 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.170 89 G C -0.116 174.135 174.900 -1.081 0.000 1.007 89 G CA -0.650 43.953 45.100 -0.828 0.000 0.672 89 G HN 0.101 nan 8.290 nan 0.000 0.507 90 F N 1.910 121.491 119.950 -0.614 0.000 2.470 90 F HA 0.773 5.300 4.527 -0.000 0.000 0.329 90 F C 0.649 175.868 175.800 -0.968 0.000 1.072 90 F CA -1.123 56.310 58.000 -0.945 0.000 0.989 90 F CB 1.274 39.632 39.000 -1.070 0.000 1.193 90 F HN 0.116 nan 8.300 nan 0.000 0.481 91 H N -0.016 118.994 119.070 -0.101 0.000 2.589 91 H HA 0.236 4.792 4.556 -0.000 0.000 0.351 91 H C -1.334 174.085 175.328 0.152 0.000 1.074 91 H CA -1.238 54.699 56.048 -0.185 0.000 1.203 91 H CB 0.974 30.617 29.762 -0.199 0.000 1.558 91 H HN 0.806 nan 8.280 nan 0.000 0.522 92 W N 1.625 123.147 121.300 0.370 0.000 2.381 92 W HA 0.557 5.217 4.660 -0.000 0.000 0.329 92 W C 0.226 176.897 176.519 0.253 0.000 1.157 92 W CA -1.137 56.472 57.345 0.440 0.000 1.240 92 W CB 0.587 30.281 29.460 0.391 0.000 1.199 92 W HN 0.442 nan 8.180 nan 0.000 0.579 93 S N 2.888 118.848 115.700 0.432 0.000 2.564 93 S HA 0.472 4.942 4.470 -0.000 0.000 0.278 93 S C 1.055 175.864 174.600 0.350 0.000 1.333 93 S CA 0.755 59.126 58.200 0.285 0.000 1.048 93 S CB -0.366 62.953 63.200 0.200 0.000 0.900 93 S HN 1.670 nan 8.310 nan 0.000 0.505 94 G N 5.246 114.198 108.800 0.254 0.000 2.581 94 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.291 94 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.291 94 G C -0.277 174.830 174.900 0.345 0.000 1.277 94 G CA 0.470 45.717 45.100 0.245 0.000 0.959 94 G HN 0.930 nan 8.290 nan 0.000 0.554 95 N N -1.050 117.814 118.700 0.273 0.000 2.408 95 N HA 0.455 5.195 4.740 -0.000 0.000 0.260 95 N C 0.054 175.682 175.510 0.195 0.000 1.242 95 N CA -0.350 52.870 53.050 0.283 0.000 0.959 95 N CB 0.869 39.475 38.487 0.197 0.000 1.201 95 N HN 0.531 nan 8.380 nan 0.000 0.511 96 V N 1.934 121.897 119.914 0.081 0.000 2.403 96 V HA 0.046 4.166 4.120 -0.000 0.000 0.265 96 V C 0.568 176.551 176.094 -0.185 0.000 1.034 96 V CA -0.102 62.067 62.300 -0.218 0.000 1.036 96 V CB -0.892 30.794 31.823 -0.228 0.000 1.032 96 V HN 0.477 nan 8.190 nan 0.000 0.478 97 R N 4.145 124.530 120.500 -0.191 0.000 2.641 97 R HA 0.394 4.734 4.340 -0.000 0.000 0.269 97 R C -1.065 175.083 176.300 -0.254 0.000 1.074 97 R CA -0.164 55.869 56.100 -0.111 0.000 1.133 97 R CB 0.413 30.709 30.300 -0.007 0.000 1.029 97 R HN 0.561 nan 8.270 nan 0.000 0.488 98 Y N -0.758 119.490 120.300 -0.087 0.000 2.386 98 Y HA 0.039 4.589 4.550 -0.000 0.000 0.334 98 Y C 1.462 177.224 175.900 -0.229 0.000 1.002 98 Y CA -0.462 57.591 58.100 -0.078 0.000 1.068 98 Y CB 2.069 40.493 38.460 -0.059 0.000 1.203 98 Y HN 0.740 nan 8.280 nan 0.000 0.443 99 S N -0.148 115.595 115.700 0.071 0.000 2.402 99 S HA -0.222 4.248 4.470 -0.000 0.000 0.233 99 S C 1.694 176.068 174.600 -0.377 0.000 1.030 99 S CA 2.053 60.266 58.200 0.022 0.000 1.003 99 S CB -0.444 62.826 63.200 0.117 0.000 0.813 99 S HN 0.609 nan 8.310 nan 0.000 0.477 100 S N 1.740 117.160 115.700 -0.467 0.000 2.537 100 S HA -0.047 4.423 4.470 -0.000 0.000 0.240 100 S C 1.250 175.234 174.600 -1.026 0.000 0.981 100 S CA 0.946 58.438 58.200 -1.180 0.000 0.948 100 S CB -0.479 62.468 63.200 -0.421 0.000 0.759 100 S HN 0.569 nan 8.310 nan 0.000 0.531 101 D N 0.688 120.661 120.400 -0.712 0.000 2.149 101 D HA -0.053 4.586 4.640 -0.000 0.000 0.201 101 D C 0.889 176.833 176.300 -0.594 0.000 0.972 101 D CA 1.064 54.672 54.000 -0.654 0.000 0.835 101 D CB -0.164 40.125 40.800 -0.852 0.000 0.966 101 D HN 0.501 nan 8.370 nan 0.000 0.476 102 Y N -0.178 119.962 120.300 -0.267 0.000 2.502 102 Y HA 0.069 4.619 4.550 -0.000 0.000 0.295 102 Y C 1.616 177.489 175.900 -0.045 0.000 1.193 102 Y CA -0.503 57.515 58.100 -0.138 0.000 1.295 102 Y CB -0.693 37.691 38.460 -0.126 0.000 1.059 102 Y HN -0.160 nan 8.280 nan 0.000 0.514 103 F N 0.880 120.834 119.950 0.007 0.000 2.115 103 F HA -0.291 4.236 4.527 -0.000 0.000 0.300 103 F C 1.886 177.687 175.800 0.002 0.000 1.092 103 F CA 1.123 59.015 58.000 -0.181 0.000 1.245 103 F CB -0.822 37.847 39.000 -0.552 0.000 0.995 103 F HN 0.160 nan 8.300 nan 0.000 0.481 104 D N -0.519 120.129 120.400 0.413 0.000 2.084 104 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 104 D C 2.332 178.826 176.300 0.324 0.000 0.985 104 D CA 0.979 55.250 54.000 0.453 0.000 0.826 104 D CB -0.481 40.524 40.800 0.342 0.000 0.978 104 D HN 0.257 nan 8.370 nan 0.000 0.456 105 Q N 0.200 120.139 119.800 0.231 0.000 2.124 105 Q HA -0.069 4.270 4.340 -0.000 0.000 0.202 105 Q C 2.610 178.749 176.000 0.232 0.000 0.977 105 Q CA 0.510 56.395 55.803 0.136 0.000 0.850 105 Q CB -0.320 28.510 28.738 0.153 0.000 0.901 105 Q HN 0.345 nan 8.270 nan 0.000 0.429 106 L N -0.377 121.026 121.223 0.299 0.000 1.989 106 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 106 L C 2.561 179.772 176.870 0.567 0.000 1.071 106 L CA 1.782 56.847 54.840 0.375 0.000 0.749 106 L CB -0.588 41.696 42.059 0.375 0.000 0.890 106 L HN 0.304 nan 8.230 nan 0.000 0.431 107 H N -0.273 119.028 119.070 0.385 0.000 2.352 107 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 107 H C 1.998 177.478 175.328 0.254 0.000 1.097 107 H CA 1.746 57.975 56.048 0.302 0.000 1.311 107 H CB -0.027 29.921 29.762 0.310 0.000 1.377 107 H HN 0.319 nan 8.280 nan 0.000 0.504 108 A N -0.317 122.483 122.820 -0.034 0.000 1.872 108 A HA -0.126 4.193 4.320 -0.000 0.000 0.214 108 A C 2.141 179.668 177.584 -0.094 0.000 1.187 108 A CA 1.279 53.212 52.037 -0.175 0.000 0.614 108 A CB -1.155 17.748 19.000 -0.161 0.000 0.826 108 A HN 0.543 nan 8.150 nan 0.000 0.442 109 Y N 0.227 120.560 120.300 0.054 0.000 2.315 109 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 109 Y C 2.822 178.795 175.900 0.121 0.000 1.154 109 Y CA 0.570 58.710 58.100 0.067 0.000 1.229 109 Y CB -0.588 37.900 38.460 0.047 0.000 0.980 109 Y HN 0.348 nan 8.280 nan 0.000 0.540 110 A N -0.459 122.546 122.820 0.310 0.000 1.929 110 A HA -0.103 4.216 4.320 -0.000 0.000 0.216 110 A C 2.292 179.768 177.584 -0.179 0.000 1.176 110 A CA 1.250 53.306 52.037 0.032 0.000 0.628 110 A CB -0.879 18.008 19.000 -0.188 0.000 0.816 110 A HN 0.426 nan 8.150 nan 0.000 0.444 111 I N -0.420 120.052 120.570 -0.164 0.000 2.179 111 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 111 I C 2.531 178.597 176.117 -0.086 0.000 1.088 111 I CA 1.831 63.040 61.300 -0.152 0.000 1.357 111 I CB -0.206 37.718 38.000 -0.126 0.000 1.051 111 I HN 0.556 nan 8.210 nan 0.000 0.409 112 E N 1.118 121.295 120.200 -0.038 0.000 2.065 112 E HA -0.280 4.070 4.350 -0.000 0.000 0.201 112 E C 2.312 178.903 176.600 -0.015 0.000 1.016 112 E CA 1.714 58.111 56.400 -0.006 0.000 0.818 112 E CB -0.183 29.553 29.700 0.060 0.000 0.749 112 E HN 0.452 nan 8.360 nan 0.000 0.453 113 L N 0.531 121.748 121.223 -0.010 0.000 2.079 113 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 113 L C 2.587 179.441 176.870 -0.027 0.000 1.081 113 L CA 0.908 55.735 54.840 -0.020 0.000 0.752 113 L CB -0.365 41.699 42.059 0.008 0.000 0.896 113 L HN 0.301 nan 8.230 nan 0.000 0.433 114 I N -0.084 120.437 120.570 -0.081 0.000 2.286 114 I HA -0.293 3.876 4.170 -0.000 0.000 0.248 114 I C 1.918 178.020 176.117 -0.025 0.000 1.115 114 I CA 1.554 62.809 61.300 -0.076 0.000 1.392 114 I CB -0.350 37.567 38.000 -0.139 0.000 1.065 114 I HN 0.342 nan 8.210 nan 0.000 0.418 115 N N 0.744 119.429 118.700 -0.025 0.000 2.244 115 N HA -0.131 4.608 4.740 -0.000 0.000 0.183 115 N C 1.186 176.695 175.510 -0.002 0.000 1.016 115 N CA 0.817 53.861 53.050 -0.010 0.000 0.866 115 N CB 0.056 38.535 38.487 -0.014 0.000 0.980 115 N HN 0.266 nan 8.380 nan 0.000 0.430 116 K N 0.062 120.460 120.400 -0.004 0.000 2.522 116 K HA 0.153 4.472 4.320 -0.000 0.000 0.194 116 K C 0.656 177.270 176.600 0.023 0.000 1.026 116 K CA 0.275 56.562 56.287 0.001 0.000 1.119 116 K CB 0.330 32.820 32.500 -0.018 0.000 0.856 116 K HN 0.184 nan 8.250 nan 0.000 0.513 117 G N 1.713 110.532 108.800 0.032 0.000 2.225 117 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 117 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 117 G C 0.400 175.358 174.900 0.095 0.000 1.024 117 G CA 0.117 45.250 45.100 0.054 0.000 0.784 117 G HN 0.365 nan 8.290 nan 0.000 0.507 118 L N -0.580 120.708 121.223 0.109 0.000 2.818 118 L HA 0.642 4.982 4.340 -0.000 0.000 0.243 118 L C 0.982 177.998 176.870 0.244 0.000 1.185 118 L CA 0.495 55.461 54.840 0.209 0.000 0.988 118 L CB 0.142 42.305 42.059 0.173 0.000 1.292 118 L HN 0.598 nan 8.230 nan 0.000 0.519 119 A N 0.002 122.910 122.820 0.148 0.000 2.594 119 A HA 0.671 4.990 4.320 -0.000 0.000 0.296 119 A C -1.800 175.827 177.584 0.072 0.000 1.061 119 A CA -0.429 51.637 52.037 0.048 0.000 0.689 119 A CB 1.224 20.169 19.000 -0.093 0.000 1.280 119 A HN 0.186 nan 8.150 nan 0.000 0.406 120 Y N -0.975 119.268 120.300 -0.095 0.000 2.597 120 Y HA 0.743 5.293 4.550 -0.000 0.000 0.340 120 Y C -1.095 174.744 175.900 -0.102 0.000 1.097 120 Y CA -1.561 56.489 58.100 -0.083 0.000 1.037 120 Y CB 0.904 39.343 38.460 -0.034 0.000 1.305 120 Y HN 0.498 nan 8.280 nan 0.000 0.463 121 V N 3.078 123.004 119.914 0.020 0.000 2.461 121 V HA 0.226 4.346 4.120 -0.000 0.000 0.275 121 V C -0.483 175.590 176.094 -0.035 0.000 1.047 121 V CA -0.168 62.089 62.300 -0.071 0.000 0.955 121 V CB 1.038 32.858 31.823 -0.005 0.000 0.988 121 V HN 0.834 nan 8.190 nan 0.000 0.471 122 D N 3.550 123.844 120.400 -0.178 0.000 2.362 122 D HA 0.329 4.969 4.640 -0.000 0.000 0.247 122 D C 0.016 176.085 176.300 -0.385 0.000 1.050 122 D CA -0.427 53.474 54.000 -0.164 0.000 0.839 122 D CB 2.248 43.017 40.800 -0.051 0.000 1.283 122 D HN 0.637 nan 8.370 nan 0.000 0.477 123 E N 2.207 122.010 120.200 -0.662 0.000 2.569 123 E HA 0.124 4.474 4.350 -0.000 0.000 0.205 123 E C -0.159 176.354 176.600 -0.145 0.000 1.006 123 E CA -0.494 55.580 56.400 -0.543 0.000 0.985 123 E CB 0.857 30.101 29.700 -0.760 0.000 1.060 123 E HN 0.237 nan 8.360 nan 0.000 0.460 124 L N 2.125 123.340 121.223 -0.015 0.000 2.371 124 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 124 L C 0.724 177.590 176.870 -0.007 0.000 1.124 124 L CA 0.079 54.950 54.840 0.052 0.000 0.816 124 L CB 0.962 43.002 42.059 -0.031 0.000 1.129 124 L HN 0.027 nan 8.230 nan 0.000 0.448 125 T N 1.479 116.046 114.554 0.021 0.000 2.900 125 T HA 0.199 4.549 4.350 -0.000 0.000 0.307 125 T C -1.829 172.879 174.700 0.014 0.000 1.065 125 T CA -1.171 60.938 62.100 0.016 0.000 1.105 125 T CB 0.655 69.546 68.868 0.038 0.000 0.979 125 T HN 0.529 nan 8.240 nan 0.000 0.544 126 P HA -0.098 nan 4.420 nan 0.000 0.218 126 P C 1.019 178.336 177.300 0.028 0.000 1.146 126 P CA 1.059 64.165 63.100 0.009 0.000 0.813 126 P CB 0.065 31.768 31.700 0.006 0.000 0.778 127 E N -0.970 119.253 120.200 0.039 0.000 2.112 127 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 127 E C 2.115 178.763 176.600 0.081 0.000 0.979 127 E CA 0.941 57.372 56.400 0.051 0.000 0.814 127 E CB -0.696 29.032 29.700 0.047 0.000 0.762 127 E HN 0.345 nan 8.360 nan 0.000 0.460 128 Q N 0.335 120.193 119.800 0.097 0.000 2.016 128 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 128 Q C 2.481 178.603 176.000 0.203 0.000 0.978 128 Q CA 1.598 57.509 55.803 0.180 0.000 0.833 128 Q CB -0.425 28.399 28.738 0.143 0.000 0.895 128 Q HN 0.482 nan 8.270 nan 0.000 0.427 129 I N -1.304 119.318 120.570 0.086 0.000 2.248 129 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 129 I C 2.327 178.505 176.117 0.102 0.000 1.107 129 I CA 1.532 62.872 61.300 0.067 0.000 1.373 129 I CB -0.286 37.721 38.000 0.012 0.000 1.055 129 I HN 0.037 nan 8.210 nan 0.000 0.418 130 R N 1.109 121.657 120.500 0.081 0.000 2.096 130 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 130 R C 2.399 178.745 176.300 0.078 0.000 1.127 130 R CA 2.237 58.376 56.100 0.065 0.000 0.968 130 R CB -0.242 30.085 30.300 0.045 0.000 0.861 130 R HN 0.778 nan 8.270 nan 0.000 0.440 131 E N -1.218 119.046 120.200 0.108 0.000 2.051 131 E HA -0.172 4.177 4.350 -0.000 0.000 0.189 131 E C 1.559 178.213 176.600 0.090 0.000 0.979 131 E CA 0.862 57.308 56.400 0.077 0.000 0.803 131 E CB -0.645 29.089 29.700 0.056 0.000 0.761 131 E HN 0.281 nan 8.360 nan 0.000 0.451 132 Y N 1.282 121.590 120.300 0.013 0.000 2.384 132 Y HA -0.090 4.460 4.550 -0.000 0.000 0.289 132 Y C 2.395 178.301 175.900 0.010 0.000 1.152 132 Y CA 1.370 59.478 58.100 0.013 0.000 1.258 132 Y CB -0.129 38.347 38.460 0.026 0.000 0.979 132 Y HN 0.009 nan 8.280 nan 0.000 0.549 133 R N 0.286 120.880 120.500 0.156 0.000 2.280 133 R HA 0.071 4.410 4.340 -0.000 0.000 0.207 133 R C 1.348 177.676 176.300 0.046 0.000 1.043 133 R CA 0.656 56.809 56.100 0.088 0.000 1.006 133 R CB -0.395 29.941 30.300 0.061 0.000 0.885 133 R HN 0.452 nan 8.270 nan 0.000 0.467 134 G N -0.350 108.467 108.800 0.029 0.000 2.552 134 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.265 134 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.265 134 G C -0.196 174.703 174.900 -0.002 0.000 1.234 134 G CA 0.188 45.288 45.100 -0.000 0.000 0.944 134 G HN 0.523 nan 8.290 nan 0.000 0.568 135 T N -3.522 111.024 114.554 -0.012 0.000 2.671 135 T HA 0.624 4.973 4.350 -0.000 0.000 0.300 135 T C 1.347 176.032 174.700 -0.026 0.000 1.238 135 T CA -0.039 62.051 62.100 -0.016 0.000 1.020 135 T CB 1.047 69.904 68.868 -0.018 0.000 1.503 135 T HN 0.911 nan 8.240 nan 0.000 0.497 136 L N 0.853 122.058 121.223 -0.031 0.000 2.261 136 L HA -0.062 4.278 4.340 -0.000 0.000 0.216 136 L C 2.760 179.601 176.870 -0.047 0.000 1.114 136 L CA 1.955 56.767 54.840 -0.046 0.000 0.777 136 L CB -0.908 41.124 42.059 -0.045 0.000 0.910 136 L HN 1.004 nan 8.230 nan 0.000 0.440 137 T N -4.670 109.862 114.554 -0.037 0.000 3.115 137 T HA -0.056 4.293 4.350 -0.000 0.000 0.235 137 T C 1.055 175.734 174.700 -0.035 0.000 0.999 137 T CA -0.237 61.841 62.100 -0.036 0.000 1.276 137 T CB -0.101 68.749 68.868 -0.031 0.000 0.967 137 T HN -0.048 nan 8.240 nan 0.000 0.420 138 Q N 3.147 122.928 119.800 -0.031 0.000 2.297 138 Q HA 0.296 4.636 4.340 -0.000 0.000 0.267 138 Q C -2.435 173.547 176.000 -0.030 0.000 1.006 138 Q CA -1.920 53.864 55.803 -0.032 0.000 0.896 138 Q CB 0.908 29.625 28.738 -0.034 0.000 1.186 138 Q HN 0.252 nan 8.270 nan 0.000 0.392 139 P HA -0.006 nan 4.420 nan 0.000 0.270 139 P C -0.336 176.954 177.300 -0.016 0.000 1.227 139 P CA 0.037 63.123 63.100 -0.024 0.000 0.788 139 P CB 0.473 32.159 31.700 -0.023 0.000 0.926 140 G N 0.421 109.221 108.800 0.001 0.000 2.511 140 G HA2 0.533 4.493 3.960 -0.000 0.000 0.316 140 G HA3 0.533 4.493 3.960 -0.000 0.000 0.316 140 G C -0.994 173.930 174.900 0.041 0.000 1.210 140 G CA -0.621 44.495 45.100 0.026 0.000 0.969 140 G HN 0.331 nan 8.290 nan 0.000 0.492 141 K N -0.363 120.099 120.400 0.104 0.000 2.385 141 K HA 0.238 4.558 4.320 -0.000 0.000 0.248 141 K C -0.600 176.149 176.600 0.249 0.000 0.955 141 K CA -0.636 55.744 56.287 0.155 0.000 0.816 141 K CB 2.382 34.949 32.500 0.113 0.000 1.250 141 K HN 0.564 nan 8.250 nan 0.000 0.434 142 N N 0.409 119.206 118.700 0.163 0.000 2.530 142 N HA 0.037 4.777 4.740 -0.000 0.000 0.273 142 N C -0.410 175.133 175.510 0.055 0.000 1.173 142 N CA -0.211 52.888 53.050 0.081 0.000 0.967 142 N CB 1.113 39.601 38.487 0.002 0.000 1.109 142 N HN 0.406 nan 8.380 nan 0.000 0.453 143 S N 1.779 117.443 115.700 -0.059 0.000 2.579 143 S HA 0.116 4.586 4.470 -0.000 0.000 0.275 143 S C -1.345 173.160 174.600 -0.158 0.000 1.345 143 S CA -1.346 56.738 58.200 -0.194 0.000 1.031 143 S CB 0.583 63.782 63.200 -0.001 0.000 0.892 143 S HN 0.461 nan 8.310 nan 0.000 0.529 144 P HA -0.001 nan 4.420 nan 0.000 0.242 144 P C -0.024 177.079 177.300 -0.327 0.000 1.197 144 P CA 0.882 63.812 63.100 -0.284 0.000 0.765 144 P CB -0.162 31.311 31.700 -0.378 0.000 0.936 145 Y N -0.855 119.374 120.300 -0.119 0.000 2.458 145 Y HA 0.296 4.846 4.550 -0.000 0.000 0.256 145 Y C 2.652 178.386 175.900 -0.278 0.000 1.159 145 Y CA -0.329 57.708 58.100 -0.105 0.000 1.261 145 Y CB -0.451 38.004 38.460 -0.008 0.000 1.119 145 Y HN -0.190 nan 8.280 nan 0.000 0.524 146 R N 0.748 121.046 120.500 -0.337 0.000 2.091 146 R HA -0.183 4.156 4.340 -0.000 0.000 0.238 146 R C 0.444 176.408 176.300 -0.559 0.000 1.136 146 R CA 1.957 57.540 56.100 -0.861 0.000 0.959 146 R CB -0.164 29.808 30.300 -0.547 0.000 0.856 146 R HN 0.158 nan 8.270 nan 0.000 0.437 147 D N 0.272 120.518 120.400 -0.257 0.000 2.538 147 D HA 0.068 4.708 4.640 -0.000 0.000 0.234 147 D C -0.367 175.889 176.300 -0.072 0.000 1.191 147 D CA -0.036 53.879 54.000 -0.142 0.000 0.828 147 D CB 0.172 40.918 40.800 -0.090 0.000 0.981 147 D HN 0.068 nan 8.370 nan 0.000 0.490 148 R N 0.189 120.655 120.500 -0.056 0.000 2.694 148 R HA 0.173 4.512 4.340 -0.000 0.000 0.268 148 R C 0.698 177.014 176.300 0.027 0.000 1.061 148 R CA -0.150 55.963 56.100 0.021 0.000 1.133 148 R CB 0.675 31.022 30.300 0.079 0.000 1.020 148 R HN 0.209 nan 8.270 nan 0.000 0.475 149 S N 0.271 115.993 115.700 0.036 0.000 2.576 149 S HA -0.025 4.445 4.470 -0.000 0.000 0.272 149 S C 1.491 176.115 174.600 0.040 0.000 1.352 149 S CA -0.896 57.324 58.200 0.033 0.000 1.021 149 S CB 0.947 64.166 63.200 0.033 0.000 0.887 149 S HN 0.395 nan 8.310 nan 0.000 0.542 150 V N 2.114 122.047 119.914 0.031 0.000 2.407 150 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 150 V C 2.380 178.494 176.094 0.034 0.000 1.055 150 V CA 2.303 64.621 62.300 0.030 0.000 1.049 150 V CB -1.202 30.634 31.823 0.021 0.000 0.662 150 V HN 0.896 nan 8.190 nan 0.000 0.455 151 E N -0.264 119.956 120.200 0.034 0.000 2.158 151 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 151 E C 2.137 178.767 176.600 0.051 0.000 0.982 151 E CA 0.962 57.385 56.400 0.038 0.000 0.823 151 E CB -0.146 29.573 29.700 0.031 0.000 0.766 151 E HN 0.666 nan 8.360 nan 0.000 0.468 152 E N 0.987 121.221 120.200 0.057 0.000 2.028 152 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 152 E C 1.650 178.304 176.600 0.090 0.000 0.988 152 E CA 1.192 57.635 56.400 0.072 0.000 0.799 152 E CB -0.042 29.704 29.700 0.076 0.000 0.755 152 E HN 0.255 nan 8.360 nan 0.000 0.447 153 N N 0.177 118.928 118.700 0.085 0.000 2.069 153 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 153 N C 1.910 177.483 175.510 0.106 0.000 1.031 153 N CA 0.979 54.083 53.050 0.090 0.000 0.852 153 N CB -0.129 38.397 38.487 0.065 0.000 1.018 153 N HN 0.058 nan 8.380 nan 0.000 0.423 154 L N 1.144 122.416 121.223 0.081 0.000 2.013 154 L HA -0.220 4.119 4.340 -0.000 0.000 0.212 154 L C 2.216 179.168 176.870 0.137 0.000 1.073 154 L CA 1.708 56.608 54.840 0.100 0.000 0.753 154 L CB -0.677 41.419 42.059 0.062 0.000 0.890 154 L HN 0.169 nan 8.230 nan 0.000 0.432 155 A N -1.249 121.634 122.820 0.105 0.000 1.873 155 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 155 A C 2.047 179.706 177.584 0.126 0.000 1.186 155 A CA 1.554 53.647 52.037 0.093 0.000 0.616 155 A CB -0.783 18.258 19.000 0.067 0.000 0.823 155 A HN 0.361 nan 8.150 nan 0.000 0.442 156 L N -1.649 119.674 121.223 0.167 0.000 2.191 156 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 156 L C 2.224 179.272 176.870 0.297 0.000 1.103 156 L CA 1.467 56.458 54.840 0.252 0.000 0.769 156 L CB -1.589 40.618 42.059 0.248 0.000 0.908 156 L HN 0.515 nan 8.230 nan 0.000 0.438 157 F N 1.066 121.058 119.950 0.069 0.000 2.293 157 F HA -0.134 4.392 4.527 -0.000 0.000 0.297 157 F C 2.470 178.304 175.800 0.056 0.000 1.089 157 F CA 1.232 59.252 58.000 0.034 0.000 1.377 157 F CB 0.072 39.058 39.000 -0.022 0.000 1.051 157 F HN 0.131 nan 8.300 nan 0.000 0.511 158 E N 0.666 120.893 120.200 0.045 0.000 2.112 158 E HA -0.162 4.187 4.350 -0.000 0.000 0.190 158 E C 2.228 178.789 176.600 -0.065 0.000 0.979 158 E CA 1.333 57.701 56.400 -0.054 0.000 0.814 158 E CB -0.328 29.379 29.700 0.012 0.000 0.762 158 E HN 0.366 nan 8.360 nan 0.000 0.460 159 K N -0.084 120.317 120.400 0.001 0.000 2.009 159 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 159 K C 2.128 178.737 176.600 0.015 0.000 1.049 159 K CA 1.913 58.184 56.287 -0.028 0.000 0.929 159 K CB -0.191 32.267 32.500 -0.070 0.000 0.714 159 K HN 0.180 nan 8.250 nan 0.000 0.440 160 M N 0.325 120.000 119.600 0.124 0.000 2.110 160 M HA -0.245 4.234 4.480 -0.000 0.000 0.257 160 M C 2.524 178.768 176.300 -0.093 0.000 1.071 160 M CA 1.898 57.256 55.300 0.096 0.000 1.096 160 M CB -0.465 32.148 32.600 0.022 0.000 1.300 160 M HN 0.191 nan 8.290 nan 0.000 0.411 161 R N 0.314 120.658 120.500 -0.261 0.000 2.127 161 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 161 R C 1.822 178.013 176.300 -0.182 0.000 1.134 161 R CA 1.563 57.493 56.100 -0.283 0.000 0.975 161 R CB -0.173 29.877 30.300 -0.416 0.000 0.865 161 R HN 0.415 nan 8.270 nan 0.000 0.447 162 A N -0.547 122.197 122.820 -0.127 0.000 2.208 162 A HA 0.178 4.498 4.320 -0.000 0.000 0.209 162 A C 1.333 178.910 177.584 -0.011 0.000 1.161 162 A CA 0.861 52.846 52.037 -0.087 0.000 0.782 162 A CB -0.047 18.904 19.000 -0.081 0.000 0.816 162 A HN 0.549 nan 8.150 nan 0.000 0.477 163 G N -2.153 106.673 108.800 0.043 0.000 2.141 163 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.242 163 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.242 163 G C 1.149 176.177 174.900 0.214 0.000 0.982 163 G CA 0.458 45.692 45.100 0.224 0.000 0.662 163 G HN 1.275 nan 8.290 nan 0.000 0.527 164 G N -0.748 108.080 108.800 0.047 0.000 2.598 164 G HA2 0.317 4.276 3.960 -0.000 0.000 0.215 164 G HA3 0.317 4.276 3.960 -0.000 0.000 0.215 164 G C 0.367 175.199 174.900 -0.113 0.000 1.131 164 G CA 0.474 45.526 45.100 -0.079 0.000 0.785 164 G HN 0.409 nan 8.290 nan 0.000 0.539 165 F N 0.481 120.500 119.950 0.116 0.000 2.480 165 F HA 0.446 4.973 4.527 -0.000 0.000 0.329 165 F C 0.503 176.430 175.800 0.211 0.000 1.091 165 F CA -1.528 56.534 58.000 0.104 0.000 0.972 165 F CB 1.654 40.671 39.000 0.028 0.000 1.150 165 F HN -0.035 nan 8.300 nan 0.000 0.467 166 E N 1.282 121.747 120.200 0.442 0.000 2.390 166 E HA 0.089 4.438 4.350 -0.000 0.000 0.261 166 E C -0.534 176.226 176.600 0.266 0.000 1.076 166 E CA -0.375 56.270 56.400 0.407 0.000 0.905 166 E CB 0.504 30.360 29.700 0.260 0.000 0.984 166 E HN 0.518 nan 8.360 nan 0.000 0.427 167 E N 0.300 120.651 120.200 0.251 0.000 2.480 167 E HA 0.038 4.388 4.350 -0.000 0.000 0.258 167 E C 0.745 177.377 176.600 0.052 0.000 0.984 167 E CA 0.768 57.212 56.400 0.073 0.000 0.930 167 E CB 0.339 30.100 29.700 0.102 0.000 0.936 167 E HN 0.812 nan 8.360 nan 0.000 0.466 168 G N 3.548 112.345 108.800 -0.004 0.000 2.225 168 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 168 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 168 G C 1.042 175.914 174.900 -0.047 0.000 0.988 168 G CA 0.135 45.225 45.100 -0.017 0.000 0.625 168 G HN 0.437 nan 8.290 nan 0.000 0.527 169 K N 0.581 120.955 120.400 -0.043 0.000 2.366 169 K HA 0.551 4.870 4.320 -0.000 0.000 0.198 169 K C 1.004 177.396 176.600 -0.347 0.000 1.044 169 K CA 1.245 57.477 56.287 -0.090 0.000 0.973 169 K CB 0.226 32.767 32.500 0.068 0.000 0.767 169 K HN 1.371 nan 8.250 nan 0.000 0.475 170 A N 0.287 122.877 122.820 -0.384 0.000 2.594 170 A HA 0.556 4.876 4.320 -0.000 0.000 0.296 170 A C -0.944 176.472 177.584 -0.281 0.000 1.061 170 A CA -0.849 50.862 52.037 -0.543 0.000 0.689 170 A CB 0.836 19.122 19.000 -1.191 0.000 1.280 170 A HN 0.259 nan 8.150 nan 0.000 0.406 171 C N 0.325 119.488 119.300 -0.228 0.000 3.239 171 C HA 0.849 5.308 4.460 -0.000 0.000 0.317 171 C C -1.343 173.567 174.990 -0.133 0.000 1.310 171 C CA -0.830 58.120 59.018 -0.113 0.000 1.371 171 C CB 0.578 28.258 27.740 -0.101 0.000 1.714 171 C HN 1.536 nan 8.230 nan 0.000 0.473 172 L N 2.482 123.663 121.223 -0.070 0.000 2.287 172 L HA 0.707 5.047 4.340 -0.000 0.000 0.287 172 L C 0.049 176.732 176.870 -0.312 0.000 1.022 172 L CA -0.075 54.639 54.840 -0.211 0.000 0.814 172 L CB 0.597 42.514 42.059 -0.236 0.000 1.217 172 L HN 0.827 nan 8.230 nan 0.000 0.420 173 R N 3.765 123.933 120.500 -0.553 0.000 2.732 173 R HA 0.795 5.135 4.340 -0.000 0.000 0.278 173 R C -0.632 175.361 176.300 -0.512 0.000 0.976 173 R CA -0.904 54.866 56.100 -0.551 0.000 0.963 173 R CB 1.648 31.544 30.300 -0.673 0.000 1.150 173 R HN 0.767 nan 8.270 nan 0.000 0.478 174 A N 1.731 124.361 122.820 -0.316 0.000 2.388 174 A HA 0.178 4.498 4.320 -0.000 0.000 0.257 174 A C -0.174 177.332 177.584 -0.129 0.000 1.095 174 A CA -0.223 51.689 52.037 -0.209 0.000 0.791 174 A CB 0.333 19.116 19.000 -0.363 0.000 1.029 174 A HN 0.647 nan 8.150 nan 0.000 0.489 175 K N 3.253 123.692 120.400 0.065 0.000 2.300 175 K HA 0.544 4.863 4.320 -0.000 0.000 0.264 175 K C -0.427 176.199 176.600 0.044 0.000 1.083 175 K CA -0.197 56.203 56.287 0.188 0.000 0.958 175 K CB -0.033 32.648 32.500 0.302 0.000 1.318 175 K HN 0.738 nan 8.250 nan 0.000 0.448 176 I N 0.363 120.868 120.570 -0.108 0.000 4.449 176 I HA 0.283 4.452 4.170 -0.000 0.000 0.240 176 I C -0.358 175.726 176.117 -0.055 0.000 0.615 176 I CA -0.735 60.454 61.300 -0.185 0.000 2.872 176 I CB 0.431 38.094 38.000 -0.562 0.000 1.471 176 I HN 0.424 nan 8.210 nan 0.000 0.526 177 D N 0.550 120.907 120.400 -0.071 0.000 2.696 177 D HA 0.312 4.951 4.640 -0.000 0.000 0.251 177 D C 0.202 176.497 176.300 -0.009 0.000 1.188 177 D CA -0.353 53.640 54.000 -0.013 0.000 0.876 177 D CB 1.819 42.625 40.800 0.010 0.000 1.334 177 D HN 0.154 nan 8.370 nan 0.000 0.540 178 M N 2.011 121.616 119.600 0.008 0.000 2.595 178 M HA 0.132 4.612 4.480 -0.000 0.000 0.248 178 M C 1.342 177.648 176.300 0.011 0.000 1.119 178 M CA 0.376 55.687 55.300 0.018 0.000 1.079 178 M CB -0.525 32.098 32.600 0.039 0.000 1.472 178 M HN 0.464 nan 8.290 nan 0.000 0.501 179 A N -0.655 122.167 122.820 0.004 0.000 2.348 179 A HA 0.150 4.470 4.320 -0.000 0.000 0.224 179 A C 1.161 178.733 177.584 -0.020 0.000 1.227 179 A CA -0.050 51.982 52.037 -0.008 0.000 0.885 179 A CB -0.131 18.864 19.000 -0.007 0.000 0.933 179 A HN 0.338 nan 8.150 nan 0.000 0.506 180 S N 1.462 117.159 115.700 -0.005 0.000 2.571 180 S HA 0.063 4.533 4.470 -0.000 0.000 0.298 180 S C -0.947 173.605 174.600 -0.080 0.000 1.280 180 S CA -0.128 58.072 58.200 -0.000 0.000 1.052 180 S CB 0.577 63.817 63.200 0.065 0.000 0.799 180 S HN 0.363 nan 8.310 nan 0.000 0.501 181 P HA 0.129 nan 4.420 nan 0.000 0.245 181 P C -0.580 176.351 177.300 -0.615 0.000 1.212 181 P CA 0.434 63.263 63.100 -0.453 0.000 0.774 181 P CB -0.205 31.122 31.700 -0.622 0.000 0.999 182 F N -0.456 119.483 119.950 -0.018 0.000 2.434 182 F HA 0.364 4.891 4.527 -0.000 0.000 0.355 182 F C 1.750 177.534 175.800 -0.028 0.000 1.115 182 F CA -0.953 57.034 58.000 -0.021 0.000 1.010 182 F CB 0.724 39.714 39.000 -0.016 0.000 1.234 182 F HN -0.341 nan 8.300 nan 0.000 0.439 183 I N 1.412 122.052 120.570 0.116 0.000 2.381 183 I HA -0.269 3.901 4.170 -0.000 0.000 0.255 183 I C 2.202 178.351 176.117 0.054 0.000 1.140 183 I CA 1.161 62.497 61.300 0.059 0.000 1.404 183 I CB -0.076 37.944 38.000 0.034 0.000 1.075 183 I HN 0.539 nan 8.210 nan 0.000 0.433 184 V N 0.670 120.629 119.914 0.075 0.000 2.970 184 V HA -0.148 3.971 4.120 -0.000 0.000 0.260 184 V C 1.981 178.070 176.094 -0.010 0.000 1.100 184 V CA 1.225 63.545 62.300 0.033 0.000 1.122 184 V CB -0.087 31.758 31.823 0.037 0.000 0.721 184 V HN 0.331 nan 8.190 nan 0.000 0.483 185 M N -0.240 119.367 119.600 0.012 0.000 2.495 185 M HA 0.227 4.707 4.480 -0.000 0.000 0.237 185 M C 0.765 177.011 176.300 -0.090 0.000 1.131 185 M CA 0.489 55.747 55.300 -0.071 0.000 1.032 185 M CB -0.415 32.187 32.600 0.003 0.000 1.513 185 M HN 0.209 nan 8.290 nan 0.000 0.488 186 R N 2.132 122.610 120.500 -0.038 0.000 2.870 186 R HA 0.131 4.471 4.340 -0.000 0.000 0.254 186 R C -0.714 175.563 176.300 -0.039 0.000 1.392 186 R CA -0.346 55.739 56.100 -0.026 0.000 1.322 186 R CB -0.365 29.940 30.300 0.008 0.000 1.205 186 R HN 0.142 nan 8.270 nan 0.000 0.597 187 D N 2.208 122.559 120.400 -0.082 0.000 2.890 187 D HA -0.118 4.521 4.640 -0.000 0.000 0.226 187 D C -2.254 173.978 176.300 -0.114 0.000 1.207 187 D CA 0.620 54.568 54.000 -0.088 0.000 0.764 187 D CB -0.408 40.416 40.800 0.041 0.000 0.948 187 D HN 0.351 nan 8.370 nan 0.000 0.404 188 P HA 0.061 nan 4.420 nan 0.000 0.271 188 P C 0.323 177.543 177.300 -0.133 0.000 1.216 188 P CA -0.480 62.557 63.100 -0.105 0.000 0.771 188 P CB 0.980 32.629 31.700 -0.084 0.000 0.864 189 V N 4.480 124.332 119.914 -0.103 0.000 2.673 189 V HA -0.109 4.011 4.120 -0.000 0.000 0.303 189 V C 1.722 177.750 176.094 -0.111 0.000 1.046 189 V CA 0.605 62.834 62.300 -0.119 0.000 1.126 189 V CB 0.230 32.009 31.823 -0.072 0.000 0.934 189 V HN 0.475 nan 8.190 nan 0.000 0.487 190 L N 4.768 125.901 121.223 -0.150 0.000 2.500 190 L HA 0.375 4.715 4.340 -0.000 0.000 0.219 190 L C -0.083 176.738 176.870 -0.082 0.000 1.057 190 L CA 0.863 55.574 54.840 -0.215 0.000 0.854 190 L CB -0.253 41.527 42.059 -0.464 0.000 1.078 190 L HN 0.581 nan 8.230 nan 0.000 0.480 191 Y N -0.940 119.291 120.300 -0.115 0.000 2.524 191 Y HA 0.633 5.183 4.550 -0.000 0.000 0.347 191 Y C 0.070 175.975 175.900 0.008 0.000 1.005 191 Y CA -1.082 57.028 58.100 0.016 0.000 1.025 191 Y CB 1.761 40.324 38.460 0.172 0.000 1.275 191 Y HN -0.170 nan 8.280 nan 0.000 0.460 192 R N 2.094 122.673 120.500 0.132 0.000 2.867 192 R HA 0.702 5.042 4.340 -0.000 0.000 0.268 192 R C -1.517 174.823 176.300 0.066 0.000 1.014 192 R CA -1.145 54.994 56.100 0.065 0.000 0.946 192 R CB 2.500 32.816 30.300 0.027 0.000 1.208 192 R HN 0.563 nan 8.270 nan 0.000 0.477 193 I N 1.412 121.972 120.570 -0.016 0.000 2.385 193 I HA 0.426 4.596 4.170 -0.000 0.000 0.294 193 I C 0.033 176.075 176.117 -0.124 0.000 0.988 193 I CA -0.051 61.176 61.300 -0.120 0.000 1.265 193 I CB 1.525 39.387 38.000 -0.230 0.000 1.388 193 I HN 0.621 nan 8.210 nan 0.000 0.480 194 K N 5.790 126.113 120.400 -0.129 0.000 2.761 194 K HA 0.409 4.729 4.320 -0.000 0.000 0.257 194 K C -1.086 175.526 176.600 0.020 0.000 1.053 194 K CA -0.574 55.698 56.287 -0.025 0.000 1.035 194 K CB 0.150 32.693 32.500 0.072 0.000 1.267 194 K HN 0.392 nan 8.250 nan 0.000 0.505 195 F N 2.006 122.030 119.950 0.123 0.000 2.679 195 F HA 0.511 5.038 4.527 -0.000 0.000 0.351 195 F C 0.965 176.820 175.800 0.091 0.000 1.279 195 F CA -0.211 57.849 58.000 0.101 0.000 1.227 195 F CB 0.524 39.564 39.000 0.066 0.000 1.623 195 F HN 0.681 nan 8.300 nan 0.000 0.666 196 A N 0.993 123.969 122.820 0.260 0.000 2.513 196 A HA 0.570 4.890 4.320 -0.000 0.000 0.285 196 A C -0.130 177.561 177.584 0.178 0.000 1.047 196 A CA -0.609 51.533 52.037 0.176 0.000 0.864 196 A CB -0.207 18.859 19.000 0.110 0.000 1.373 196 A HN 0.513 nan 8.150 nan 0.000 0.403 197 E N 2.353 122.649 120.200 0.161 0.000 2.905 197 E HA -0.023 4.327 4.350 -0.000 0.000 0.240 197 E C 0.872 177.581 176.600 0.181 0.000 0.990 197 E CA 1.040 57.542 56.400 0.169 0.000 0.954 197 E CB -0.567 29.206 29.700 0.121 0.000 0.908 197 E HN 0.867 nan 8.360 nan 0.000 0.532 198 H N 2.404 121.549 119.070 0.125 0.000 3.546 198 H HA -0.206 4.350 4.556 -0.000 0.000 0.302 198 H C 1.332 176.687 175.328 0.045 0.000 0.982 198 H CA 3.308 59.376 56.048 0.034 0.000 0.957 198 H CB 0.291 30.079 29.762 0.044 0.000 1.721 198 H HN 1.133 nan 8.280 nan 0.000 1.052 199 H N -3.967 115.215 119.070 0.186 0.000 1.871 199 H HA 0.095 4.651 4.556 -0.000 0.000 0.123 199 H C 0.764 176.186 175.328 0.156 0.000 0.996 199 H CA 0.284 56.369 56.048 0.063 0.000 0.450 199 H CB -0.458 29.241 29.762 -0.106 0.000 0.548 199 H HN 0.207 nan 8.280 nan 0.000 0.257 200 Q N 0.735 120.636 119.800 0.169 0.000 2.245 200 Q HA 0.246 4.586 4.340 -0.000 0.000 0.250 200 Q C 0.887 176.976 176.000 0.148 0.000 0.830 200 Q CA 1.616 57.518 55.803 0.165 0.000 0.950 200 Q CB 1.743 30.553 28.738 0.121 0.000 1.124 200 Q HN 0.689 nan 8.270 nan 0.000 0.502 201 T N -4.748 109.923 114.554 0.195 0.000 3.186 201 T HA 0.333 4.683 4.350 -0.000 0.000 0.292 201 T C 1.251 176.047 174.700 0.160 0.000 0.915 201 T CA 0.705 62.905 62.100 0.166 0.000 0.902 201 T CB 0.615 69.631 68.868 0.246 0.000 1.192 201 T HN 0.227 nan 8.240 nan 0.000 0.563 202 G N 3.533 112.451 108.800 0.197 0.000 2.723 202 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.356 202 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.356 202 G C 0.797 175.798 174.900 0.169 0.000 1.164 202 G CA 0.974 46.175 45.100 0.170 0.000 0.939 202 G HN 0.564 nan 8.290 nan 0.000 0.570 203 N N 1.271 120.030 118.700 0.099 0.000 2.268 203 N HA 0.082 4.822 4.740 -0.000 0.000 0.204 203 N C 1.744 177.250 175.510 -0.007 0.000 1.124 203 N CA 0.829 53.922 53.050 0.072 0.000 0.838 203 N CB 0.744 39.259 38.487 0.047 0.000 0.994 203 N HN 0.712 nan 8.380 nan 0.000 0.489 204 K N 0.054 120.426 120.400 -0.046 0.000 2.025 204 K HA -0.086 4.233 4.320 -0.000 0.000 0.207 204 K C -0.111 176.220 176.600 -0.449 0.000 1.049 204 K CA 0.993 57.120 56.287 -0.267 0.000 0.933 204 K CB 0.194 32.515 32.500 -0.300 0.000 0.714 204 K HN 0.011 nan 8.250 nan 0.000 0.438 205 W N -1.200 119.981 121.300 -0.199 0.000 2.516 205 W HA 0.339 4.999 4.660 -0.000 0.000 0.343 205 W C 0.673 177.020 176.519 -0.288 0.000 1.094 205 W CA -1.137 55.983 57.345 -0.376 0.000 1.250 205 W CB 1.272 30.282 29.460 -0.750 0.000 1.308 205 W HN 0.008 nan 8.180 nan 0.000 0.588 206 C N 2.775 122.036 119.300 -0.066 0.000 3.559 206 C HA 0.434 4.894 4.460 -0.000 0.000 0.314 206 C C 0.210 175.102 174.990 -0.163 0.000 1.419 206 C CA -0.167 58.808 59.018 -0.071 0.000 1.775 206 C CB -1.402 26.305 27.740 -0.056 0.000 2.430 206 C HN 0.405 nan 8.230 nan 0.000 0.686 207 I N -1.951 118.450 120.570 -0.281 0.000 2.865 207 I HA 0.705 4.875 4.170 -0.000 0.000 0.302 207 I C -1.693 174.099 176.117 -0.541 0.000 1.140 207 I CA -0.848 60.349 61.300 -0.172 0.000 1.021 207 I CB 1.750 39.764 38.000 0.023 0.000 1.233 207 I HN -0.038 nan 8.210 nan 0.000 0.427 208 Y N 2.173 122.432 120.300 -0.068 0.000 2.553 208 Y HA 0.628 5.177 4.550 -0.000 0.000 0.347 208 Y C -2.635 172.873 175.900 -0.653 0.000 1.019 208 Y CA -2.256 55.645 58.100 -0.331 0.000 1.032 208 Y CB 2.170 40.493 38.460 -0.228 0.000 1.284 208 Y HN 0.403 nan 8.280 nan 0.000 0.466 209 P HA 0.188 nan 4.420 nan 0.000 0.277 209 P C -0.681 176.552 177.300 -0.112 0.000 1.240 209 P CA -0.244 62.484 63.100 -0.620 0.000 0.798 209 P CB 0.964 32.568 31.700 -0.160 0.000 0.979 210 M N 1.958 121.547 119.600 -0.019 0.000 2.288 210 M HA 0.097 4.577 4.480 -0.000 0.000 0.334 210 M C 1.507 177.928 176.300 0.202 0.000 1.150 210 M CA -0.602 54.755 55.300 0.095 0.000 1.118 210 M CB -0.145 32.500 32.600 0.075 0.000 1.501 210 M HN 0.437 nan 8.290 nan 0.000 0.462 211 Y N 2.550 122.903 120.300 0.089 0.000 1.977 211 Y HA -0.367 4.183 4.550 -0.000 0.000 0.264 211 Y C 1.751 177.731 175.900 0.132 0.000 1.167 211 Y CA 2.700 60.861 58.100 0.101 0.000 1.102 211 Y CB -0.268 38.241 38.460 0.081 0.000 0.948 211 Y HN 0.694 nan 8.280 nan 0.000 0.489 212 D N -0.484 119.940 120.400 0.040 0.000 2.177 212 D HA -0.283 4.356 4.640 -0.000 0.000 0.189 212 D C 2.145 178.459 176.300 0.023 0.000 1.002 212 D CA 2.073 56.061 54.000 -0.020 0.000 0.845 212 D CB -1.091 39.779 40.800 0.118 0.000 0.960 212 D HN 0.425 nan 8.370 nan 0.000 0.447 213 F N 1.684 121.614 119.950 -0.034 0.000 2.091 213 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 213 F C 2.537 178.291 175.800 -0.078 0.000 1.103 213 F CA 1.750 59.730 58.000 -0.032 0.000 1.228 213 F CB -0.689 38.319 39.000 0.012 0.000 0.984 213 F HN -0.119 nan 8.300 nan 0.000 0.477 214 T N -1.531 112.958 114.554 -0.109 0.000 2.777 214 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 214 T C 1.667 176.215 174.700 -0.254 0.000 1.040 214 T CA 1.666 63.654 62.100 -0.188 0.000 1.141 214 T CB -0.547 68.342 68.868 0.034 0.000 0.868 214 T HN 0.539 nan 8.240 nan 0.000 0.444 215 H N 0.661 119.483 119.070 -0.412 0.000 2.321 215 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 215 H C 2.546 177.673 175.328 -0.335 0.000 1.087 215 H CA 2.176 57.960 56.048 -0.440 0.000 1.319 215 H CB -0.620 28.681 29.762 -0.768 0.000 1.379 215 H HN 0.556 nan 8.280 nan 0.000 0.501 216 C N 0.097 119.187 119.300 -0.349 0.000 2.440 216 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 216 C C 2.651 177.201 174.990 -0.733 0.000 1.295 216 C CA 0.255 58.819 59.018 -0.757 0.000 1.738 216 C CB -1.099 26.015 27.740 -1.042 0.000 1.987 216 C HN 0.544 nan 8.230 nan 0.000 0.492 217 I N 2.368 122.545 120.570 -0.654 0.000 2.202 217 I HA -0.119 4.051 4.170 -0.000 0.000 0.242 217 I C 2.793 178.540 176.117 -0.617 0.000 1.091 217 I CA 1.674 62.585 61.300 -0.648 0.000 1.368 217 I CB -1.595 36.015 38.000 -0.651 0.000 1.058 217 I HN 0.378 nan 8.210 nan 0.000 0.410 218 S N 0.960 116.290 115.700 -0.616 0.000 2.359 218 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 218 S C 1.612 175.845 174.600 -0.612 0.000 1.035 218 S CA 1.597 59.338 58.200 -0.764 0.000 1.018 218 S CB -0.333 62.588 63.200 -0.465 0.000 0.876 218 S HN 0.428 nan 8.310 nan 0.000 0.448 219 D N 1.757 121.853 120.400 -0.506 0.000 2.106 219 D HA -0.094 4.545 4.640 -0.000 0.000 0.191 219 D C 2.218 178.303 176.300 -0.358 0.000 0.997 219 D CA 1.432 55.200 54.000 -0.387 0.000 0.834 219 D CB -0.717 39.897 40.800 -0.311 0.000 0.956 219 D HN 0.370 nan 8.370 nan 0.000 0.448 220 A N 0.913 123.491 122.820 -0.403 0.000 1.859 220 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 220 A C 2.459 179.864 177.584 -0.298 0.000 1.198 220 A CA 1.538 53.370 52.037 -0.342 0.000 0.629 220 A CB -1.084 17.665 19.000 -0.418 0.000 0.830 220 A HN 0.270 nan 8.150 nan 0.000 0.446 221 L N -0.805 120.202 121.223 -0.360 0.000 2.187 221 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 221 L C 2.214 178.933 176.870 -0.251 0.000 1.100 221 L CA 1.475 56.137 54.840 -0.297 0.000 0.765 221 L CB -0.515 41.279 42.059 -0.442 0.000 0.904 221 L HN 0.487 nan 8.230 nan 0.000 0.437 222 E N -0.230 119.784 120.200 -0.310 0.000 2.489 222 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 222 E C 1.211 177.595 176.600 -0.359 0.000 1.057 222 E CA 0.430 56.674 56.400 -0.260 0.000 0.866 222 E CB 0.251 29.805 29.700 -0.243 0.000 0.916 222 E HN 0.507 nan 8.360 nan 0.000 0.500 223 G N 2.035 110.657 108.800 -0.296 0.000 2.198 223 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.257 223 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.257 223 G C 0.152 174.861 174.900 -0.319 0.000 1.042 223 G CA -0.310 44.625 45.100 -0.275 0.000 0.791 223 G HN 0.141 nan 8.290 nan 0.000 0.502 224 I N 1.757 122.164 120.570 -0.272 0.000 2.598 224 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 224 I C 2.048 178.085 176.117 -0.133 0.000 1.140 224 I CA 1.155 62.352 61.300 -0.171 0.000 1.420 224 I CB 0.565 38.481 38.000 -0.141 0.000 1.387 224 I HN 0.388 nan 8.210 nan 0.000 0.553 225 T N 3.469 117.930 114.554 -0.155 0.000 2.983 225 T HA 0.078 4.428 4.350 -0.000 0.000 0.250 225 T C 0.636 174.913 174.700 -0.705 0.000 1.037 225 T CA 0.610 62.405 62.100 -0.508 0.000 1.142 225 T CB 0.116 68.591 68.868 -0.656 0.000 0.876 225 T HN 0.553 nan 8.240 nan 0.000 0.455 226 H N 0.719 119.737 119.070 -0.086 0.000 3.013 226 H HA 0.534 5.090 4.556 -0.000 0.000 0.326 226 H C -1.284 174.077 175.328 0.055 0.000 0.973 226 H CA -0.598 55.476 56.048 0.044 0.000 1.369 226 H CB 1.768 31.538 29.762 0.013 0.000 1.598 226 H HN 0.201 nan 8.280 nan 0.000 0.518 227 S N 4.635 120.418 115.700 0.138 0.000 2.434 227 S HA 0.265 4.735 4.470 -0.000 0.000 0.318 227 S C -0.385 174.273 174.600 0.097 0.000 1.062 227 S CA -0.749 57.495 58.200 0.075 0.000 1.116 227 S CB -0.497 62.715 63.200 0.019 0.000 0.977 227 S HN 0.286 nan 8.310 nan 0.000 0.480 228 L N 5.125 126.452 121.223 0.173 0.000 2.290 228 L HA 0.482 4.821 4.340 -0.000 0.000 0.284 228 L C 0.092 177.137 176.870 0.292 0.000 1.078 228 L CA 0.071 55.084 54.840 0.289 0.000 0.815 228 L CB 0.324 42.597 42.059 0.356 0.000 1.162 228 L HN 0.665 nan 8.230 nan 0.000 0.435 229 C N 0.641 119.984 119.300 0.073 0.000 2.971 229 C HA 0.732 5.192 4.460 -0.000 0.000 0.310 229 C C 0.557 175.141 174.990 -0.677 0.000 1.285 229 C CA -0.737 58.173 59.018 -0.179 0.000 1.593 229 C CB 2.264 29.873 27.740 -0.218 0.000 2.076 229 C HN 0.924 nan 8.230 nan 0.000 0.472 230 T N -0.044 114.128 114.554 -0.636 0.000 2.813 230 T HA 0.234 4.584 4.350 -0.000 0.000 0.297 230 T C 1.045 175.598 174.700 -0.245 0.000 1.036 230 T CA -0.392 61.292 62.100 -0.692 0.000 1.044 230 T CB 0.298 68.997 68.868 -0.282 0.000 0.993 230 T HN 0.442 nan 8.240 nan 0.000 0.535 231 L N 0.685 121.788 121.223 -0.200 0.000 2.197 231 L HA -0.086 4.253 4.340 -0.000 0.000 0.215 231 L C 2.426 179.238 176.870 -0.098 0.000 1.095 231 L CA 1.757 56.538 54.840 -0.099 0.000 0.764 231 L CB -1.002 41.017 42.059 -0.067 0.000 0.897 231 L HN 0.734 nan 8.230 nan 0.000 0.436 232 E N -1.735 118.374 120.200 -0.151 0.000 2.401 232 E HA -0.141 4.209 4.350 -0.000 0.000 0.199 232 E C 1.354 177.708 176.600 -0.410 0.000 1.023 232 E CA 0.822 57.052 56.400 -0.283 0.000 0.859 232 E CB -0.171 29.297 29.700 -0.388 0.000 0.780 232 E HN 0.458 nan 8.360 nan 0.000 0.523 233 F N 0.501 120.380 119.950 -0.119 0.000 2.664 233 F HA 0.112 4.638 4.527 -0.000 0.000 0.303 233 F C 1.853 177.570 175.800 -0.138 0.000 1.092 233 F CA -0.184 57.742 58.000 -0.123 0.000 1.305 233 F CB 0.018 38.923 39.000 -0.158 0.000 1.054 233 F HN 0.035 nan 8.300 nan 0.000 0.565 234 Q N 0.103 119.902 119.800 -0.001 0.000 2.181 234 Q HA -0.189 4.151 4.340 -0.000 0.000 0.205 234 Q C 0.915 176.859 176.000 -0.093 0.000 0.980 234 Q CA 2.028 57.803 55.803 -0.046 0.000 0.862 234 Q CB -0.408 28.306 28.738 -0.040 0.000 0.905 234 Q HN 0.354 nan 8.270 nan 0.000 0.429 235 D N 1.292 121.643 120.400 -0.082 0.000 2.123 235 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 235 D C 1.603 177.821 176.300 -0.136 0.000 0.976 235 D CA 0.965 54.871 54.000 -0.156 0.000 0.831 235 D CB -0.325 40.459 40.800 -0.026 0.000 0.974 235 D HN 0.426 nan 8.370 nan 0.000 0.469 236 N N 1.540 120.229 118.700 -0.018 0.000 2.192 236 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 236 N C 1.939 177.466 175.510 0.028 0.000 1.013 236 N CA 0.473 53.556 53.050 0.055 0.000 0.863 236 N CB -0.211 38.393 38.487 0.195 0.000 0.990 236 N HN 0.236 nan 8.380 nan 0.000 0.430 237 R N 1.743 122.206 120.500 -0.062 0.000 2.127 237 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 237 R C 1.609 177.910 176.300 0.002 0.000 1.134 237 R CA 1.023 57.063 56.100 -0.100 0.000 0.975 237 R CB 0.041 30.237 30.300 -0.175 0.000 0.865 237 R HN 0.137 nan 8.270 nan 0.000 0.447 238 R N 0.679 121.121 120.500 -0.096 0.000 2.092 238 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 238 R C 2.241 178.587 176.300 0.077 0.000 1.119 238 R CA 0.748 56.797 56.100 -0.086 0.000 0.970 238 R CB -1.101 29.000 30.300 -0.331 0.000 0.864 238 R HN 0.250 nan 8.270 nan 0.000 0.440 239 L N -0.065 121.209 121.223 0.085 0.000 2.072 239 L HA -0.103 4.236 4.340 -0.000 0.000 0.205 239 L C 2.221 179.255 176.870 0.274 0.000 1.079 239 L CA 1.454 56.391 54.840 0.161 0.000 0.752 239 L CB -0.859 41.257 42.059 0.095 0.000 0.906 239 L HN 0.080 nan 8.230 nan 0.000 0.436 240 Y N 0.750 121.087 120.300 0.062 0.000 2.040 240 Y HA -0.358 4.192 4.550 -0.000 0.000 0.275 240 Y C 2.302 178.190 175.900 -0.019 0.000 1.171 240 Y CA 2.446 60.550 58.100 0.006 0.000 1.123 240 Y CB -0.345 38.105 38.460 -0.018 0.000 0.963 240 Y HN 0.330 nan 8.280 nan 0.000 0.493 241 D N -1.134 119.440 120.400 0.289 0.000 2.178 241 D HA -0.208 4.431 4.640 -0.000 0.000 0.202 241 D C 1.785 178.149 176.300 0.107 0.000 0.974 241 D CA 1.297 55.422 54.000 0.208 0.000 0.841 241 D CB -0.910 40.051 40.800 0.269 0.000 0.953 241 D HN 0.615 nan 8.370 nan 0.000 0.478 242 W N 1.671 122.972 121.300 0.002 0.000 2.335 242 W HA -0.233 4.427 4.660 -0.000 0.000 0.311 242 W C 2.074 178.561 176.519 -0.054 0.000 1.213 242 W CA 1.347 58.686 57.345 -0.009 0.000 1.274 242 W CB -0.373 29.091 29.460 0.008 0.000 1.148 242 W HN -0.239 nan 8.180 nan 0.000 0.498 243 V N 1.274 121.229 119.914 0.068 0.000 2.307 243 V HA -0.325 3.795 4.120 -0.000 0.000 0.245 243 V C 2.353 178.205 176.094 -0.404 0.000 1.045 243 V CA 2.063 64.270 62.300 -0.155 0.000 1.024 243 V CB -1.084 30.792 31.823 0.088 0.000 0.651 243 V HN 0.253 nan 8.190 nan 0.000 0.449 244 L N -0.363 120.581 121.223 -0.465 0.000 2.046 244 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 244 L C 2.276 178.870 176.870 -0.461 0.000 1.077 244 L CA 1.581 56.042 54.840 -0.631 0.000 0.747 244 L CB -0.802 40.602 42.059 -1.092 0.000 0.896 244 L HN 0.352 nan 8.230 nan 0.000 0.432 245 D N -0.042 120.163 120.400 -0.325 0.000 2.310 245 D HA -0.116 4.523 4.640 -0.000 0.000 0.212 245 D C 1.506 177.643 176.300 -0.271 0.000 0.965 245 D CA 0.848 54.738 54.000 -0.183 0.000 0.879 245 D CB 0.009 40.754 40.800 -0.091 0.000 0.921 245 D HN 0.392 nan 8.370 nan 0.000 0.510 246 N N 0.282 118.728 118.700 -0.423 0.000 2.220 246 N HA 0.095 4.835 4.740 -0.000 0.000 0.195 246 N C 0.730 176.060 175.510 -0.300 0.000 1.123 246 N CA 0.018 52.811 53.050 -0.428 0.000 0.874 246 N CB 1.564 39.602 38.487 -0.750 0.000 0.995 246 N HN 0.331 nan 8.380 nan 0.000 0.498 247 I N -1.453 118.943 120.570 -0.291 0.000 2.822 247 I HA 0.401 4.571 4.170 -0.000 0.000 0.312 247 I C -0.224 175.814 176.117 -0.132 0.000 1.011 247 I CA -0.708 60.484 61.300 -0.181 0.000 1.105 247 I CB 1.484 39.272 38.000 -0.353 0.000 1.291 247 I HN -0.338 nan 8.210 nan 0.000 0.474 248 T N 5.236 119.821 114.554 0.052 0.000 2.782 248 T HA 0.522 4.872 4.350 -0.000 0.000 0.298 248 T C -0.404 174.351 174.700 0.092 0.000 0.944 248 T CA 0.196 62.329 62.100 0.054 0.000 1.001 248 T CB -0.385 68.528 68.868 0.075 0.000 0.932 248 T HN 0.431 nan 8.240 nan 0.000 0.524 249 I N 5.116 125.653 120.570 -0.054 0.000 2.730 249 I HA 0.457 4.627 4.170 -0.000 0.000 0.298 249 I C -1.504 174.575 176.117 -0.063 0.000 1.089 249 I CA -2.128 59.126 61.300 -0.075 0.000 1.041 249 I CB 2.243 40.071 38.000 -0.286 0.000 1.235 249 I HN 0.287 nan 8.210 nan 0.000 0.423 250 P HA -0.033 nan 4.420 nan 0.000 0.208 250 P C 0.150 177.427 177.300 -0.039 0.000 1.200 250 P CA 1.246 64.326 63.100 -0.034 0.000 0.924 250 P CB -0.226 31.459 31.700 -0.026 0.000 0.774 251 V N -2.478 117.407 119.914 -0.048 0.000 2.716 251 V HA 0.432 4.551 4.120 -0.000 0.000 0.304 251 V C -0.170 175.916 176.094 -0.012 0.000 1.053 251 V CA -0.879 61.409 62.300 -0.020 0.000 0.984 251 V CB 1.003 32.820 31.823 -0.009 0.000 1.021 251 V HN 0.344 nan 8.190 nan 0.000 0.467 252 H N 4.221 123.237 119.070 -0.090 0.000 2.786 252 H HA 0.539 5.094 4.556 -0.000 0.000 0.284 252 H C -2.640 172.659 175.328 -0.049 0.000 1.104 252 H CA -2.313 53.670 56.048 -0.107 0.000 1.339 252 H CB 1.779 31.479 29.762 -0.103 0.000 1.427 252 H HN 0.722 nan 8.280 nan 0.000 0.497 253 P HA 0.073 nan 4.420 nan 0.000 0.271 253 P C -0.560 176.916 177.300 0.292 0.000 1.216 253 P CA -0.305 62.883 63.100 0.147 0.000 0.776 253 P CB 1.166 32.892 31.700 0.044 0.000 0.881 254 R N 1.758 122.312 120.500 0.089 0.000 2.540 254 R HA 0.370 4.710 4.340 -0.000 0.000 0.287 254 R C 0.233 176.353 176.300 -0.299 0.000 0.980 254 R CA -0.803 55.242 56.100 -0.091 0.000 0.966 254 R CB 1.002 31.161 30.300 -0.234 0.000 1.106 254 R HN 0.569 nan 8.270 nan 0.000 0.480 255 Q N 1.978 121.472 119.800 -0.509 0.000 2.271 255 Q HA 0.345 4.685 4.340 -0.000 0.000 0.258 255 Q C -1.400 174.266 176.000 -0.557 0.000 0.936 255 Q CA -0.414 55.089 55.803 -0.500 0.000 0.909 255 Q CB 0.885 29.235 28.738 -0.648 0.000 1.253 255 Q HN 0.449 nan 8.270 nan 0.000 0.440 256 Y N 1.685 122.000 120.300 0.024 0.000 2.425 256 Y HA 0.331 4.880 4.550 -0.000 0.000 0.344 256 Y C -0.731 175.246 175.900 0.128 0.000 0.969 256 Y CA -0.991 57.175 58.100 0.110 0.000 1.052 256 Y CB 2.006 40.556 38.460 0.150 0.000 1.215 256 Y HN 0.611 nan 8.280 nan 0.000 0.451 257 E N 3.137 123.506 120.200 0.283 0.000 2.214 257 E HA 0.564 4.913 4.350 -0.000 0.000 0.274 257 E C -1.166 175.614 176.600 0.300 0.000 0.977 257 E CA -0.653 55.826 56.400 0.132 0.000 0.827 257 E CB 1.291 30.999 29.700 0.013 0.000 1.130 257 E HN 0.400 nan 8.360 nan 0.000 0.394 258 F N -1.387 118.688 119.950 0.209 0.000 2.618 258 F HA 0.729 5.256 4.527 -0.000 0.000 0.332 258 F C -0.081 175.800 175.800 0.136 0.000 1.061 258 F CA -1.440 56.687 58.000 0.211 0.000 0.974 258 F CB 0.967 40.061 39.000 0.156 0.000 1.310 258 F HN 0.293 nan 8.300 nan 0.000 0.491 259 S N -0.137 115.755 115.700 0.321 0.000 2.586 259 S HA 0.749 5.219 4.470 -0.000 0.000 0.274 259 S C 0.082 174.823 174.600 0.235 0.000 1.281 259 S CA -0.655 57.645 58.200 0.166 0.000 1.035 259 S CB 1.112 64.386 63.200 0.122 0.000 0.962 259 S HN 1.156 nan 8.310 nan 0.000 0.512 260 R N 0.912 121.482 120.500 0.117 0.000 2.643 260 R HA 0.419 4.759 4.340 -0.000 0.000 0.270 260 R C -0.079 176.306 176.300 0.142 0.000 1.061 260 R CA -0.476 55.709 56.100 0.141 0.000 1.107 260 R CB -0.634 29.703 30.300 0.063 0.000 0.999 260 R HN 0.821 nan 8.270 nan 0.000 0.460 261 L N 1.567 122.887 121.223 0.161 0.000 2.410 261 L HA 0.267 4.607 4.340 -0.000 0.000 0.273 261 L C -0.106 176.823 176.870 0.097 0.000 1.144 261 L CA 0.036 54.958 54.840 0.137 0.000 0.863 261 L CB 1.078 43.242 42.059 0.175 0.000 1.140 261 L HN 0.838 nan 8.230 nan 0.000 0.463 262 N N 4.795 123.546 118.700 0.084 0.000 2.706 262 N HA 0.305 5.045 4.740 -0.000 0.000 0.240 262 N C -1.385 174.170 175.510 0.075 0.000 1.039 262 N CA -0.264 52.820 53.050 0.056 0.000 0.888 262 N CB 0.457 38.964 38.487 0.033 0.000 1.128 262 N HN 0.706 nan 8.380 nan 0.000 0.512 263 L N 2.249 123.523 121.223 0.085 0.000 2.265 263 L HA 0.352 4.692 4.340 -0.000 0.000 0.288 263 L C 0.283 177.196 176.870 0.070 0.000 1.058 263 L CA -0.579 54.331 54.840 0.116 0.000 0.809 263 L CB 0.622 42.761 42.059 0.133 0.000 1.179 263 L HN 0.472 nan 8.230 nan 0.000 0.429 264 E N 3.860 124.100 120.200 0.066 0.000 2.404 264 E HA -0.024 4.325 4.350 -0.000 0.000 0.261 264 E C -0.831 175.820 176.600 0.086 0.000 1.074 264 E CA -0.086 56.290 56.400 -0.040 0.000 0.917 264 E CB 0.328 29.969 29.700 -0.099 0.000 0.965 264 E HN 0.458 nan 8.360 nan 0.000 0.433 265 Y N -1.022 119.345 120.300 0.112 0.000 3.234 265 Y HA -0.265 4.285 4.550 -0.000 0.000 0.207 265 Y C 0.136 176.212 175.900 0.294 0.000 1.316 265 Y CA 1.241 59.466 58.100 0.207 0.000 1.309 265 Y CB -1.908 36.653 38.460 0.170 0.000 1.408 265 Y HN 0.557 nan 8.280 nan 0.000 0.544 266 T N -1.875 112.830 114.554 0.251 0.000 3.128 266 T HA 0.604 4.953 4.350 -0.000 0.000 0.363 266 T C -0.964 173.716 174.700 -0.033 0.000 1.610 266 T CA -0.404 61.834 62.100 0.230 0.000 1.126 266 T CB 0.501 69.476 68.868 0.178 0.000 1.416 266 T HN 0.891 nan 8.240 nan 0.000 0.480 267 V N 2.727 122.589 119.914 -0.086 0.000 2.612 267 V HA 0.872 4.992 4.120 -0.000 0.000 0.301 267 V C 0.273 176.268 176.094 -0.165 0.000 1.046 267 V CA -0.912 61.276 62.300 -0.187 0.000 0.946 267 V CB 1.480 33.097 31.823 -0.342 0.000 1.003 267 V HN 0.937 nan 8.190 nan 0.000 0.459 268 M N 3.605 123.094 119.600 -0.184 0.000 3.043 268 M HA 0.495 4.975 4.480 -0.000 0.000 0.309 268 M C -0.111 176.072 176.300 -0.196 0.000 1.202 268 M CA 0.490 55.638 55.300 -0.253 0.000 0.869 268 M CB -0.442 32.044 32.600 -0.191 0.000 1.327 268 M HN 0.933 nan 8.290 nan 0.000 0.524 269 S N -1.270 114.307 115.700 -0.205 0.000 2.709 269 S HA 0.793 5.262 4.470 -0.000 0.000 0.302 269 S C 0.988 175.545 174.600 -0.072 0.000 1.127 269 S CA -0.337 57.772 58.200 -0.151 0.000 0.905 269 S CB 1.696 64.733 63.200 -0.272 0.000 1.151 269 S HN 0.316 nan 8.310 nan 0.000 0.510 270 K N 0.691 121.080 120.400 -0.017 0.000 2.141 270 K HA 0.230 4.550 4.320 -0.000 0.000 0.202 270 K C 2.419 179.029 176.600 0.017 0.000 1.045 270 K CA 1.239 57.562 56.287 0.061 0.000 0.971 270 K CB -1.555 30.981 32.500 0.060 0.000 0.795 270 K HN 0.635 nan 8.250 nan 0.000 0.459 271 R N 0.945 121.425 120.500 -0.033 0.000 2.097 271 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 271 R C 2.894 179.125 176.300 -0.115 0.000 1.135 271 R CA 3.177 59.267 56.100 -0.018 0.000 0.934 271 R CB -1.842 28.491 30.300 0.056 0.000 0.846 271 R HN 0.790 nan 8.270 nan 0.000 0.431 272 K N 1.078 121.194 120.400 -0.473 0.000 1.971 272 K HA -0.009 4.311 4.320 -0.000 0.000 0.221 272 K C 2.497 178.945 176.600 -0.253 0.000 1.050 272 K CA 1.761 57.594 56.287 -0.757 0.000 0.967 272 K CB -1.229 30.300 32.500 -1.619 0.000 0.733 272 K HN 0.503 nan 8.250 nan 0.000 0.445 273 L N 0.668 121.786 121.223 -0.175 0.000 1.963 273 L HA -0.323 4.017 4.340 -0.000 0.000 0.220 273 L C 3.169 179.968 176.870 -0.117 0.000 1.076 273 L CA 2.458 57.266 54.840 -0.053 0.000 0.772 273 L CB -1.648 40.502 42.059 0.152 0.000 0.892 273 L HN 0.770 nan 8.230 nan 0.000 0.435 274 N N 0.506 119.222 118.700 0.028 0.000 2.144 274 N HA -0.257 4.483 4.740 -0.000 0.000 0.195 274 N C 1.932 177.393 175.510 -0.082 0.000 1.006 274 N CA 2.133 55.206 53.050 0.039 0.000 0.880 274 N CB -0.824 37.755 38.487 0.152 0.000 1.018 274 N HN 0.363 nan 8.380 nan 0.000 0.443 275 L N -0.793 120.387 121.223 -0.072 0.000 1.937 275 L HA -0.136 4.203 4.340 -0.000 0.000 0.213 275 L C 2.396 179.148 176.870 -0.197 0.000 1.077 275 L CA 1.642 56.425 54.840 -0.094 0.000 0.758 275 L CB -0.511 41.529 42.059 -0.032 0.000 0.888 275 L HN 0.381 nan 8.230 nan 0.000 0.433 276 L N -0.429 120.681 121.223 -0.187 0.000 2.056 276 L HA -0.358 3.981 4.340 -0.000 0.000 0.237 276 L C 2.456 179.166 176.870 -0.268 0.000 1.106 276 L CA 2.071 56.783 54.840 -0.212 0.000 0.829 276 L CB -1.642 40.357 42.059 -0.100 0.000 0.924 276 L HN 0.138 nan 8.230 nan 0.000 0.447 277 V N -0.750 118.934 119.914 -0.384 0.000 2.250 277 V HA -0.297 3.823 4.120 -0.000 0.000 0.253 277 V C 1.503 177.439 176.094 -0.263 0.000 1.065 277 V CA 2.215 64.233 62.300 -0.470 0.000 1.039 277 V CB -1.317 29.929 31.823 -0.962 0.000 0.647 277 V HN 0.746 nan 8.190 nan 0.000 0.446 278 T N -2.629 111.800 114.554 -0.208 0.000 3.945 278 T HA 0.362 4.712 4.350 -0.000 0.000 0.306 278 T C -0.014 174.602 174.700 -0.140 0.000 1.475 278 T CA 0.087 62.117 62.100 -0.116 0.000 1.177 278 T CB 0.270 69.104 68.868 -0.057 0.000 1.272 278 T HN 0.451 nan 8.240 nan 0.000 0.930 279 D N 0.526 120.842 120.400 -0.140 0.000 3.042 279 D HA 0.094 4.734 4.640 -0.000 0.000 0.512 279 D C 1.133 177.476 176.300 0.072 0.000 0.886 279 D CA 0.715 54.631 54.000 -0.140 0.000 1.043 279 D CB -0.389 40.071 40.800 -0.567 0.000 1.677 279 D HN 0.573 nan 8.370 nan 0.000 0.301 280 K N 0.152 120.575 120.400 0.039 0.000 3.341 280 K HA -0.282 4.037 4.320 -0.000 0.000 0.305 280 K C 0.707 177.407 176.600 0.167 0.000 1.270 280 K CA 1.863 58.201 56.287 0.085 0.000 0.897 280 K CB -3.469 29.077 32.500 0.076 0.000 1.264 280 K HN 0.718 nan 8.250 nan 0.000 0.468 281 H N -0.928 118.115 119.070 -0.044 0.000 2.556 281 H HA 0.300 4.856 4.556 -0.000 0.000 0.268 281 H C 0.837 176.132 175.328 -0.055 0.000 0.996 281 H CA 0.773 56.795 56.048 -0.043 0.000 1.157 281 H CB 0.193 29.932 29.762 -0.038 0.000 1.355 281 H HN 0.800 nan 8.280 nan 0.000 0.597 282 V N -2.570 117.380 119.914 0.060 0.000 3.147 282 V HA 0.143 4.263 4.120 -0.000 0.000 0.299 282 V C -0.462 175.629 176.094 -0.005 0.000 1.302 282 V CA -1.221 61.083 62.300 0.006 0.000 1.015 282 V CB 2.465 34.255 31.823 -0.055 0.000 1.086 282 V HN 0.014 nan 8.190 nan 0.000 0.437 283 E N 2.317 122.530 120.200 0.023 0.000 2.515 283 E HA 0.497 4.847 4.350 -0.000 0.000 0.315 283 E C 0.852 177.452 176.600 0.001 0.000 1.523 283 E CA 0.739 57.161 56.400 0.037 0.000 1.704 283 E CB -0.013 29.751 29.700 0.106 0.000 1.395 283 E HN 1.414 nan 8.360 nan 0.000 0.490 284 G N 0.312 109.072 108.800 -0.066 0.000 2.568 284 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.222 284 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.222 284 G C 0.111 174.906 174.900 -0.174 0.000 1.321 284 G CA -0.260 44.771 45.100 -0.116 0.000 0.893 284 G HN 0.476 nan 8.290 nan 0.000 0.569 285 W N 0.730 122.050 121.300 0.034 0.000 2.453 285 W HA 0.175 4.835 4.660 -0.000 0.000 0.289 285 W C 2.473 178.948 176.519 -0.074 0.000 1.215 285 W CA 1.423 58.780 57.345 0.020 0.000 1.297 285 W CB -0.118 29.390 29.460 0.078 0.000 1.113 285 W HN 0.674 nan 8.180 nan 0.000 0.551 286 D N -0.584 119.867 120.400 0.086 0.000 2.349 286 D HA -0.107 4.532 4.640 -0.000 0.000 0.224 286 D C 0.488 176.757 176.300 -0.052 0.000 1.029 286 D CA 0.289 54.268 54.000 -0.036 0.000 0.879 286 D CB -0.897 39.843 40.800 -0.099 0.000 0.906 286 D HN -0.000 nan 8.370 nan 0.000 0.528 287 D N 0.992 121.374 120.400 -0.030 0.000 2.548 287 D HA -0.082 4.558 4.640 -0.000 0.000 0.231 287 D C -1.432 174.784 176.300 -0.139 0.000 1.142 287 D CA -0.853 53.113 54.000 -0.056 0.000 0.866 287 D CB 1.459 42.236 40.800 -0.037 0.000 1.190 287 D HN -0.042 nan 8.370 nan 0.000 0.469 288 P HA -0.004 nan 4.420 nan 0.000 0.226 288 P C 0.898 177.928 177.300 -0.449 0.000 1.153 288 P CA 0.882 63.691 63.100 -0.484 0.000 0.777 288 P CB 0.247 31.338 31.700 -1.015 0.000 0.794 289 R N -2.230 118.086 120.500 -0.307 0.000 2.246 289 R HA 0.172 4.512 4.340 -0.000 0.000 0.199 289 R C 0.819 177.063 176.300 -0.095 0.000 0.984 289 R CA 0.181 56.185 56.100 -0.160 0.000 1.015 289 R CB -0.154 30.109 30.300 -0.060 0.000 0.930 289 R HN 0.187 nan 8.270 nan 0.000 0.475 290 M N 1.531 121.085 119.600 -0.077 0.000 2.226 290 M HA 0.088 4.567 4.480 -0.000 0.000 0.324 290 M C -1.598 174.702 176.300 0.001 0.000 1.112 290 M CA -2.145 53.151 55.300 -0.006 0.000 1.176 290 M CB 0.283 32.902 32.600 0.032 0.000 1.430 290 M HN -0.135 nan 8.290 nan 0.000 0.462 291 P HA 0.058 nan 4.420 nan 0.000 0.261 291 P C -0.102 177.276 177.300 0.130 0.000 1.352 291 P CA 0.159 63.293 63.100 0.057 0.000 0.891 291 P CB -0.372 31.373 31.700 0.074 0.000 1.383 292 T N -2.637 112.009 114.554 0.154 0.000 2.913 292 T HA 0.293 4.642 4.350 -0.000 0.000 0.297 292 T C 1.527 176.266 174.700 0.065 0.000 1.029 292 T CA -0.582 61.631 62.100 0.188 0.000 1.104 292 T CB 0.884 69.877 68.868 0.209 0.000 0.964 292 T HN -0.181 nan 8.240 nan 0.000 0.532 293 I N 1.842 122.454 120.570 0.071 0.000 2.163 293 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 293 I C 3.002 179.026 176.117 -0.156 0.000 1.085 293 I CA 1.969 63.275 61.300 0.010 0.000 1.347 293 I CB -0.571 37.474 38.000 0.075 0.000 1.044 293 I HN 0.939 nan 8.210 nan 0.000 0.408 294 S N 0.813 116.404 115.700 -0.182 0.000 2.383 294 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 294 S C 2.125 176.601 174.600 -0.206 0.000 1.030 294 S CA 1.284 59.324 58.200 -0.267 0.000 1.002 294 S CB -1.264 61.764 63.200 -0.286 0.000 0.829 294 S HN 0.506 nan 8.310 nan 0.000 0.467 295 G N 1.610 110.337 108.800 -0.123 0.000 2.421 295 G HA2 0.066 4.026 3.960 -0.000 0.000 0.217 295 G HA3 0.066 4.026 3.960 -0.000 0.000 0.217 295 G C 1.457 176.277 174.900 -0.133 0.000 1.143 295 G CA 0.728 45.764 45.100 -0.107 0.000 0.784 295 G HN 0.534 nan 8.290 nan 0.000 0.541 296 L N -0.329 120.810 121.223 -0.139 0.000 2.217 296 L HA 0.092 4.432 4.340 -0.000 0.000 0.211 296 L C 2.813 179.684 176.870 0.002 0.000 1.107 296 L CA 0.755 55.503 54.840 -0.154 0.000 0.783 296 L CB -0.298 41.607 42.059 -0.256 0.000 0.919 296 L HN 0.153 nan 8.230 nan 0.000 0.442 297 R N 0.117 120.551 120.500 -0.110 0.000 2.062 297 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 297 R C 2.497 178.759 176.300 -0.064 0.000 1.128 297 R CA 0.890 56.911 56.100 -0.132 0.000 0.960 297 R CB -0.043 29.936 30.300 -0.535 0.000 0.855 297 R HN 0.095 nan 8.270 nan 0.000 0.432 298 R N 0.441 120.876 120.500 -0.107 0.000 2.237 298 R HA -0.080 4.259 4.340 -0.000 0.000 0.219 298 R C 1.922 178.197 176.300 -0.041 0.000 1.080 298 R CA 0.855 56.909 56.100 -0.077 0.000 0.995 298 R CB -0.132 30.107 30.300 -0.102 0.000 0.875 298 R HN 0.063 nan 8.270 nan 0.000 0.462 299 R N -0.764 119.716 120.500 -0.033 0.000 2.153 299 R HA -0.031 4.309 4.340 -0.000 0.000 0.218 299 R C 1.157 177.502 176.300 0.076 0.000 1.072 299 R CA 1.646 57.739 56.100 -0.012 0.000 0.990 299 R CB -0.056 30.264 30.300 0.033 0.000 0.889 299 R HN 0.354 nan 8.270 nan 0.000 0.452 300 G N -2.796 106.072 108.800 0.113 0.000 2.296 300 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.188 300 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.188 300 G C -0.443 174.510 174.900 0.087 0.000 1.000 300 G CA -0.141 45.010 45.100 0.085 0.000 0.672 300 G HN 0.194 nan 8.290 nan 0.000 0.483 301 Y N 2.820 123.143 120.300 0.039 0.000 2.702 301 Y HA 0.362 4.911 4.550 -0.000 0.000 0.336 301 Y C 1.663 177.677 175.900 0.189 0.000 1.235 301 Y CA 1.324 59.467 58.100 0.072 0.000 1.492 301 Y CB 0.657 39.160 38.460 0.070 0.000 1.308 301 Y HN 0.293 nan 8.280 nan 0.000 0.589 302 T N -0.904 113.774 114.554 0.205 0.000 2.943 302 T HA 0.626 4.976 4.350 -0.000 0.000 0.284 302 T C 1.027 175.675 174.700 -0.087 0.000 1.015 302 T CA -0.462 61.706 62.100 0.112 0.000 1.042 302 T CB 1.703 70.554 68.868 -0.029 0.000 1.055 302 T HN 0.699 nan 8.240 nan 0.000 0.500 303 A N 1.449 123.942 122.820 -0.546 0.000 1.877 303 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 303 A C 2.615 179.934 177.584 -0.441 0.000 1.186 303 A CA 1.773 53.232 52.037 -0.962 0.000 0.620 303 A CB -1.540 16.638 19.000 -1.369 0.000 0.822 303 A HN 1.289 nan 8.150 nan 0.000 0.443 304 A N 0.256 122.888 122.820 -0.314 0.000 1.940 304 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 304 A C 2.537 180.060 177.584 -0.101 0.000 1.176 304 A CA 2.498 54.418 52.037 -0.195 0.000 0.631 304 A CB -1.002 17.903 19.000 -0.159 0.000 0.814 304 A HN 1.039 nan 8.150 nan 0.000 0.446 305 S N -0.010 115.649 115.700 -0.069 0.000 2.356 305 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 305 S C 1.843 176.508 174.600 0.108 0.000 1.032 305 S CA 1.498 59.706 58.200 0.015 0.000 1.005 305 S CB -0.519 62.689 63.200 0.013 0.000 0.867 305 S HN 0.342 nan 8.310 nan 0.000 0.449 306 I N 1.943 122.579 120.570 0.109 0.000 2.315 306 I HA -0.026 4.143 4.170 -0.000 0.000 0.248 306 I C 2.862 179.109 176.117 0.216 0.000 1.117 306 I CA 1.166 62.580 61.300 0.190 0.000 1.404 306 I CB -1.365 36.738 38.000 0.173 0.000 1.071 306 I HN 0.315 nan 8.210 nan 0.000 0.419 307 R N 0.862 121.411 120.500 0.081 0.000 2.080 307 R HA -0.231 4.109 4.340 -0.000 0.000 0.236 307 R C 2.255 178.605 176.300 0.083 0.000 1.137 307 R CA 1.777 57.922 56.100 0.075 0.000 0.943 307 R CB -0.346 29.933 30.300 -0.036 0.000 0.846 307 R HN 0.255 nan 8.270 nan 0.000 0.431 308 E N 0.196 120.435 120.200 0.064 0.000 2.160 308 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 308 E C 1.520 178.188 176.600 0.112 0.000 0.991 308 E CA 1.251 57.686 56.400 0.059 0.000 0.810 308 E CB -0.307 29.417 29.700 0.041 0.000 0.742 308 E HN 0.315 nan 8.360 nan 0.000 0.466 309 F N 0.345 120.311 119.950 0.027 0.000 2.084 309 F HA -0.178 4.349 4.527 -0.000 0.000 0.296 309 F C 2.216 178.039 175.800 0.037 0.000 1.111 309 F CA 1.504 59.531 58.000 0.045 0.000 1.224 309 F CB -0.984 38.060 39.000 0.074 0.000 0.991 309 F HN 0.129 nan 8.300 nan 0.000 0.471 310 c N 1.138 119.718 118.600 -0.032 0.000 2.397 310 c HA -0.258 4.311 4.570 -0.000 0.000 0.282 310 c C 2.847 176.830 174.090 -0.178 0.000 1.252 310 c CA 1.744 57.989 56.329 -0.139 0.000 1.811 310 c CB -1.465 41.052 42.510 0.012 0.000 2.027 310 c HN 0.555 nan 8.230 nan 0.000 0.503 311 K N 0.473 120.803 120.400 -0.117 0.000 2.217 311 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 311 K C 2.412 178.941 176.600 -0.118 0.000 1.051 311 K CA 1.487 57.718 56.287 -0.094 0.000 0.952 311 K CB -0.090 32.382 32.500 -0.047 0.000 0.736 311 K HN 0.462 nan 8.250 nan 0.000 0.453 312 R N 1.263 121.659 120.500 -0.173 0.000 2.173 312 R HA 0.108 4.447 4.340 -0.000 0.000 0.208 312 R C 1.944 178.128 176.300 -0.193 0.000 1.035 312 R CA 1.053 57.065 56.100 -0.147 0.000 1.004 312 R CB -1.016 29.224 30.300 -0.099 0.000 0.917 312 R HN 0.552 nan 8.270 nan 0.000 0.462 313 I N -3.695 116.669 120.570 -0.342 0.000 3.564 313 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 313 I C 1.379 177.414 176.117 -0.137 0.000 1.289 313 I CA 1.126 62.254 61.300 -0.287 0.000 1.325 313 I CB 0.597 38.308 38.000 -0.482 0.000 1.039 313 I HN 0.170 nan 8.210 nan 0.000 0.474 314 G N 0.680 109.413 108.800 -0.111 0.000 3.258 314 G HA2 0.398 4.358 3.960 -0.000 0.000 0.175 314 G HA3 0.398 4.358 3.960 -0.000 0.000 0.175 314 G C 0.480 175.366 174.900 -0.024 0.000 1.261 314 G CA 0.467 45.541 45.100 -0.043 0.000 0.881 314 G HN 0.312 nan 8.290 nan 0.000 0.851 318 Q N -3.604 116.199 119.800 0.004 0.000 3.025 318 Q HA 0.415 4.754 4.340 -0.000 0.000 0.333 318 Q C -0.872 175.132 176.000 0.007 0.000 0.808 318 Q CA -0.061 55.746 55.803 0.007 0.000 0.927 318 Q CB -0.326 28.419 28.738 0.011 0.000 1.413 318 Q HN 0.353 nan 8.270 nan 0.000 0.486 319 D N 0.777 121.183 120.400 0.009 0.000 2.801 319 D HA 0.218 4.858 4.640 -0.000 0.000 0.232 319 D C -0.021 176.287 176.300 0.015 0.000 1.128 319 D CA 0.038 54.044 54.000 0.009 0.000 1.003 319 D CB -1.306 39.500 40.800 0.010 0.000 1.110 319 D HN 0.470 nan 8.370 nan 0.000 0.477 320 N N -0.394 118.316 118.700 0.016 0.000 2.797 320 N HA 0.053 4.793 4.740 -0.000 0.000 0.317 320 N C -0.455 175.072 175.510 0.029 0.000 1.198 320 N CA 0.051 53.115 53.050 0.024 0.000 1.176 320 N CB 0.148 38.652 38.487 0.027 0.000 1.446 320 N HN 0.093 nan 8.380 nan 0.000 0.523 321 T N 1.972 116.543 114.554 0.029 0.000 3.150 321 T HA 0.236 4.585 4.350 -0.000 0.000 0.383 321 T C 0.162 174.892 174.700 0.050 0.000 1.313 321 T CA -0.658 61.460 62.100 0.031 0.000 1.235 321 T CB -0.051 68.823 68.868 0.010 0.000 1.088 321 T HN 0.236 nan 8.240 nan 0.000 0.556 322 I N 3.483 124.099 120.570 0.076 0.000 2.906 322 I HA -0.058 4.111 4.170 -0.000 0.000 0.302 322 I C 1.021 177.220 176.117 0.136 0.000 1.220 322 I CA 0.656 62.028 61.300 0.121 0.000 1.441 322 I CB 0.278 38.387 38.000 0.183 0.000 1.336 322 I HN 0.510 nan 8.210 nan 0.000 0.565 323 E N 6.077 126.366 120.200 0.149 0.000 2.283 323 E HA 0.182 4.531 4.350 -0.000 0.000 0.271 323 E C 0.666 177.389 176.600 0.205 0.000 1.031 323 E CA -0.845 55.656 56.400 0.169 0.000 0.868 323 E CB 0.923 30.716 29.700 0.156 0.000 1.094 323 E HN 0.474 nan 8.360 nan 0.000 0.401 324 M N 1.056 120.800 119.600 0.239 0.000 2.267 324 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 324 M C 1.992 178.377 176.300 0.142 0.000 1.063 324 M CA 1.285 56.698 55.300 0.187 0.000 1.090 324 M CB -1.237 31.481 32.600 0.197 0.000 1.392 324 M HN 0.750 nan 8.290 nan 0.000 0.422 325 A N -0.400 122.504 122.820 0.141 0.000 1.986 325 A HA -0.169 4.150 4.320 -0.000 0.000 0.220 325 A C 2.399 180.057 177.584 0.124 0.000 1.171 325 A CA 2.224 54.326 52.037 0.110 0.000 0.640 325 A CB -0.727 18.332 19.000 0.100 0.000 0.811 325 A HN 0.535 nan 8.150 nan 0.000 0.451 326 S N -0.368 115.437 115.700 0.174 0.000 2.356 326 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 326 S C 1.876 176.644 174.600 0.280 0.000 1.032 326 S CA 1.229 59.574 58.200 0.242 0.000 1.005 326 S CB -0.438 62.959 63.200 0.327 0.000 0.867 326 S HN 0.538 nan 8.310 nan 0.000 0.449 327 L N 1.377 122.702 121.223 0.170 0.000 2.056 327 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 327 L C 2.492 179.409 176.870 0.078 0.000 1.078 327 L CA 1.535 56.300 54.840 -0.125 0.000 0.749 327 L CB -0.439 41.378 42.059 -0.403 0.000 0.901 327 L HN 0.380 nan 8.230 nan 0.000 0.433 328 E N -0.733 119.523 120.200 0.093 0.000 2.058 328 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 328 E C 2.210 178.808 176.600 -0.003 0.000 0.997 328 E CA 1.606 58.043 56.400 0.061 0.000 0.801 328 E CB -0.115 29.617 29.700 0.053 0.000 0.746 328 E HN 0.388 nan 8.360 nan 0.000 0.450 329 S N 0.161 115.882 115.700 0.036 0.000 2.359 329 S HA -0.206 4.263 4.470 -0.000 0.000 0.224 329 S C 2.206 176.802 174.600 -0.006 0.000 1.035 329 S CA 1.501 59.713 58.200 0.020 0.000 1.018 329 S CB -0.443 62.792 63.200 0.059 0.000 0.876 329 S HN 0.422 nan 8.310 nan 0.000 0.448 330 C N 0.712 120.037 119.300 0.041 0.000 2.413 330 C HA -0.016 4.444 4.460 -0.000 0.000 0.276 330 C C 2.450 177.395 174.990 -0.076 0.000 1.248 330 C CA 0.768 59.804 59.018 0.031 0.000 1.742 330 C CB -1.483 26.340 27.740 0.139 0.000 2.017 330 C HN 0.731 nan 8.230 nan 0.000 0.481 331 I N 0.949 121.421 120.570 -0.163 0.000 2.333 331 I HA -0.059 4.111 4.170 -0.000 0.000 0.246 331 I C 2.663 178.533 176.117 -0.411 0.000 1.106 331 I CA 1.359 62.443 61.300 -0.360 0.000 1.411 331 I CB -0.793 36.727 38.000 -0.800 0.000 1.082 331 I HN 0.184 nan 8.210 nan 0.000 0.420 332 R N 0.436 120.720 120.500 -0.360 0.000 2.094 332 R HA -0.260 4.080 4.340 -0.000 0.000 0.239 332 R C 2.389 178.444 176.300 -0.408 0.000 1.137 332 R CA 2.216 58.051 56.100 -0.442 0.000 0.943 332 R CB -0.497 29.689 30.300 -0.191 0.000 0.850 332 R HN 0.507 nan 8.270 nan 0.000 0.433 333 E N -0.061 120.013 120.200 -0.210 0.000 2.118 333 E HA -0.247 4.102 4.350 -0.000 0.000 0.195 333 E C 1.666 178.178 176.600 -0.148 0.000 0.992 333 E CA 1.681 58.003 56.400 -0.129 0.000 0.804 333 E CB -0.111 29.550 29.700 -0.065 0.000 0.741 333 E HN 0.416 nan 8.360 nan 0.000 0.458 334 D N -0.208 120.079 120.400 -0.188 0.000 2.103 334 D HA -0.134 4.505 4.640 -0.000 0.000 0.199 334 D C 1.847 178.032 176.300 -0.191 0.000 0.978 334 D CA 0.573 54.477 54.000 -0.161 0.000 0.829 334 D CB 0.198 40.907 40.800 -0.151 0.000 0.981 334 D HN 0.179 nan 8.370 nan 0.000 0.464 335 L N 1.476 122.493 121.223 -0.343 0.000 2.465 335 L HA -0.043 4.297 4.340 -0.000 0.000 0.224 335 L C 1.868 178.608 176.870 -0.216 0.000 1.145 335 L CA 0.804 55.437 54.840 -0.344 0.000 0.834 335 L CB -1.365 40.345 42.059 -0.582 0.000 0.944 335 L HN 0.081 nan 8.230 nan 0.000 0.451 336 N N -0.455 118.089 118.700 -0.259 0.000 2.396 336 N HA -0.154 4.586 4.740 -0.000 0.000 0.180 336 N C 1.543 177.164 175.510 0.184 0.000 1.028 336 N CA 1.057 54.146 53.050 0.064 0.000 0.893 336 N CB 0.274 38.771 38.487 0.017 0.000 0.967 336 N HN 0.189 nan 8.380 nan 0.000 0.440 337 E N -0.806 119.456 120.200 0.102 0.000 2.431 337 E HA 0.189 4.539 4.350 -0.000 0.000 0.200 337 E C 0.433 177.071 176.600 0.064 0.000 0.995 337 E CA 0.224 56.695 56.400 0.119 0.000 0.915 337 E CB 0.199 29.907 29.700 0.014 0.000 0.930 337 E HN 0.489 nan 8.360 nan 0.000 0.496 338 N N 0.005 118.739 118.700 0.056 0.000 2.193 338 N HA 0.126 4.866 4.740 -0.000 0.000 0.210 338 N C 0.089 175.620 175.510 0.034 0.000 1.215 338 N CA 0.053 53.111 53.050 0.014 0.000 0.901 338 N CB 1.439 39.904 38.487 -0.037 0.000 1.060 338 N HN -0.109 nan 8.380 nan 0.000 0.508 339 A N 2.946 125.828 122.820 0.103 0.000 2.310 339 A HA 0.465 4.785 4.320 -0.000 0.000 0.300 339 A C -2.331 175.312 177.584 0.098 0.000 1.269 339 A CA -1.129 50.952 52.037 0.074 0.000 0.909 339 A CB 0.179 19.312 19.000 0.222 0.000 1.144 339 A HN -0.095 nan 8.150 nan 0.000 0.540 340 P HA 0.104 nan 4.420 nan 0.000 0.269 340 P C 0.134 177.553 177.300 0.200 0.000 1.211 340 P CA 0.130 63.264 63.100 0.057 0.000 0.781 340 P CB 0.457 32.120 31.700 -0.063 0.000 0.877 341 R N 1.155 121.761 120.500 0.178 0.000 2.532 341 R HA 0.792 5.132 4.340 -0.000 0.000 0.272 341 R C -0.558 175.848 176.300 0.177 0.000 1.032 341 R CA -0.094 56.094 56.100 0.147 0.000 1.089 341 R CB 0.730 31.043 30.300 0.022 0.000 1.098 341 R HN 0.614 nan 8.270 nan 0.000 0.526 342 A N 1.679 124.542 122.820 0.072 0.000 2.544 342 A HA 0.497 4.817 4.320 -0.000 0.000 0.291 342 A C -1.548 175.838 177.584 -0.330 0.000 1.055 342 A CA -0.798 51.156 52.037 -0.138 0.000 0.651 342 A CB 1.135 20.008 19.000 -0.213 0.000 1.296 342 A HN 0.573 nan 8.150 nan 0.000 0.431 343 M N 0.135 119.433 119.600 -0.503 0.000 2.664 343 M HA 0.792 5.272 4.480 -0.000 0.000 0.314 343 M C -0.145 175.742 176.300 -0.689 0.000 1.200 343 M CA -0.401 54.590 55.300 -0.515 0.000 0.916 343 M CB 2.335 34.647 32.600 -0.480 0.000 1.717 343 M HN 1.540 nan 8.290 nan 0.000 0.470 344 A N 1.145 123.681 122.820 -0.473 0.000 2.582 344 A HA 0.670 4.989 4.320 -0.000 0.000 0.297 344 A C -1.688 175.828 177.584 -0.113 0.000 1.059 344 A CA -0.663 51.101 52.037 -0.454 0.000 0.705 344 A CB 1.226 19.717 19.000 -0.849 0.000 1.279 344 A HN 0.533 nan 8.150 nan 0.000 0.404 345 V N 3.426 123.267 119.914 -0.121 0.000 2.435 345 V HA 0.375 4.494 4.120 -0.000 0.000 0.290 345 V C 0.745 176.788 176.094 -0.086 0.000 1.030 345 V CA -0.140 62.130 62.300 -0.051 0.000 0.881 345 V CB 1.393 33.177 31.823 -0.064 0.000 0.983 345 V HN 0.862 nan 8.190 nan 0.000 0.445 346 I N 1.721 122.282 120.570 -0.014 0.000 2.927 346 I HA 0.146 4.316 4.170 -0.000 0.000 0.268 346 I C 0.131 176.209 176.117 -0.065 0.000 1.153 346 I CA 0.672 61.943 61.300 -0.049 0.000 1.459 346 I CB 0.289 38.301 38.000 0.020 0.000 1.149 346 I HN 0.617 nan 8.210 nan 0.000 0.443 347 D N 1.763 122.152 120.400 -0.018 0.000 2.863 347 D HA 0.209 4.849 4.640 -0.000 0.000 0.323 347 D C -2.508 173.788 176.300 -0.007 0.000 1.286 347 D CA -1.344 52.647 54.000 -0.014 0.000 0.921 347 D CB 0.384 41.205 40.800 0.034 0.000 1.024 347 D HN 0.006 nan 8.370 nan 0.000 0.505 348 P HA -0.064 nan 4.420 nan 0.000 0.260 348 P C -0.619 176.754 177.300 0.121 0.000 1.185 348 P CA 0.024 63.099 63.100 -0.041 0.000 0.763 348 P CB 0.777 32.251 31.700 -0.377 0.000 0.776 349 V N 4.098 124.187 119.914 0.291 0.000 2.656 349 V HA 0.452 4.572 4.120 -0.000 0.000 0.307 349 V C -0.482 175.805 176.094 0.322 0.000 1.051 349 V CA -1.258 61.205 62.300 0.270 0.000 0.893 349 V CB 2.094 33.995 31.823 0.130 0.000 0.999 349 V HN 0.198 nan 8.190 nan 0.000 0.426 350 K N 5.980 126.473 120.400 0.154 0.000 2.315 350 K HA 0.375 4.695 4.320 -0.000 0.000 0.291 350 K C -0.935 175.439 176.600 -0.377 0.000 1.074 350 K CA 0.261 56.386 56.287 -0.270 0.000 0.936 350 K CB 0.200 32.480 32.500 -0.366 0.000 1.049 350 K HN 0.747 nan 8.250 nan 0.000 0.471 351 L N 5.826 126.813 121.223 -0.394 0.000 2.282 351 L HA 0.571 4.911 4.340 -0.000 0.000 0.288 351 L C -1.056 175.534 176.870 -0.466 0.000 1.033 351 L CA -0.914 53.688 54.840 -0.395 0.000 0.807 351 L CB 1.207 43.105 42.059 -0.268 0.000 1.209 351 L HN 0.550 nan 8.230 nan 0.000 0.423 352 V N 2.633 122.259 119.914 -0.479 0.000 2.577 352 V HA 0.519 4.638 4.120 -0.000 0.000 0.303 352 V C -0.493 175.456 176.094 -0.241 0.000 1.042 352 V CA -0.723 61.331 62.300 -0.410 0.000 0.872 352 V CB 1.645 33.194 31.823 -0.456 0.000 0.998 352 V HN 0.575 nan 8.190 nan 0.000 0.423 353 I N 4.272 124.712 120.570 -0.216 0.000 2.325 353 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 353 I C 1.221 177.339 176.117 0.001 0.000 1.019 353 I CA 0.284 61.526 61.300 -0.097 0.000 1.302 353 I CB 1.319 39.194 38.000 -0.209 0.000 1.401 353 I HN 0.834 nan 8.210 nan 0.000 0.485 354 E N 3.713 123.964 120.200 0.085 0.000 2.107 354 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 354 E C 1.110 177.770 176.600 0.100 0.000 0.982 354 E CA 0.865 57.324 56.400 0.097 0.000 0.809 354 E CB -0.167 29.595 29.700 0.104 0.000 0.756 354 E HN 0.675 nan 8.360 nan 0.000 0.459 355 N N 0.660 119.453 118.700 0.155 0.000 2.322 355 N HA -0.121 4.619 4.740 -0.000 0.000 0.216 355 N C -0.720 174.987 175.510 0.327 0.000 1.144 355 N CA -0.156 53.016 53.050 0.203 0.000 0.830 355 N CB -0.128 38.483 38.487 0.207 0.000 1.034 355 N HN 0.141 nan 8.380 nan 0.000 0.484 356 Y N 2.358 122.662 120.300 0.007 0.000 2.539 356 Y HA 0.153 4.703 4.550 -0.000 0.000 0.352 356 Y C 0.432 176.319 175.900 -0.022 0.000 1.004 356 Y CA -0.478 57.504 58.100 -0.198 0.000 1.278 356 Y CB 0.308 38.490 38.460 -0.464 0.000 1.136 356 Y HN 0.090 nan 8.280 nan 0.000 0.528 357 Q N 4.955 124.491 119.800 -0.440 0.000 2.299 357 Q HA 0.465 4.805 4.340 -0.000 0.000 0.246 357 Q C 0.398 176.096 176.000 -0.503 0.000 0.935 357 Q CA 0.736 56.339 55.803 -0.334 0.000 0.887 357 Q CB 1.128 29.761 28.738 -0.176 0.000 1.223 357 Q HN 1.068 nan 8.270 nan 0.000 0.439 358 G N 3.472 112.131 108.800 -0.235 0.000 2.855 358 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.352 358 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.352 358 G C -0.005 174.867 174.900 -0.047 0.000 1.415 358 G CA 0.264 45.280 45.100 -0.141 0.000 0.871 358 G HN 0.665 nan 8.290 nan 0.000 0.543 359 E N -0.172 120.056 120.200 0.046 0.000 2.034 359 E HA 0.453 4.803 4.350 -0.000 0.000 0.192 359 E C 1.522 178.265 176.600 0.239 0.000 0.963 359 E CA 1.652 58.127 56.400 0.125 0.000 0.831 359 E CB -0.167 29.583 29.700 0.083 0.000 0.801 359 E HN 1.320 nan 8.360 nan 0.000 0.463 360 G N -0.959 107.958 108.800 0.195 0.000 2.600 360 G HA2 0.564 4.524 3.960 -0.000 0.000 0.293 360 G HA3 0.564 4.524 3.960 -0.000 0.000 0.293 360 G C -1.384 173.623 174.900 0.178 0.000 1.408 360 G CA -0.474 44.755 45.100 0.214 0.000 0.782 360 G HN 0.143 nan 8.290 nan 0.000 0.482 361 E N -1.894 118.415 120.200 0.182 0.000 2.391 361 E HA 0.745 5.095 4.350 -0.000 0.000 0.256 361 E C -1.256 175.407 176.600 0.105 0.000 0.975 361 E CA -1.108 55.381 56.400 0.149 0.000 0.881 361 E CB 1.605 31.430 29.700 0.208 0.000 1.728 361 E HN 0.387 nan 8.360 nan 0.000 0.446 362 M N 1.947 121.604 119.600 0.095 0.000 2.224 362 M HA 0.340 4.819 4.480 -0.000 0.000 0.281 362 M C -0.680 175.661 176.300 0.067 0.000 1.025 362 M CA -1.005 54.339 55.300 0.074 0.000 0.954 362 M CB 2.331 34.955 32.600 0.040 0.000 1.639 362 M HN 0.582 nan 8.290 nan 0.000 0.461 363 V N 0.084 120.043 119.914 0.074 0.000 3.109 363 V HA 0.665 4.785 4.120 -0.000 0.000 0.317 363 V C -0.009 176.103 176.094 0.029 0.000 1.074 363 V CA -0.265 62.048 62.300 0.022 0.000 1.033 363 V CB 1.706 33.518 31.823 -0.018 0.000 1.111 363 V HN 0.802 nan 8.190 nan 0.000 0.458 364 T N 4.790 119.349 114.554 0.009 0.000 2.744 364 T HA 0.563 4.913 4.350 -0.000 0.000 0.291 364 T C -0.244 174.466 174.700 0.017 0.000 0.957 364 T CA -0.104 62.005 62.100 0.015 0.000 1.002 364 T CB 0.217 69.091 68.868 0.011 0.000 0.919 364 T HN 0.657 nan 8.240 nan 0.000 0.468 365 M N 5.126 124.738 119.600 0.020 0.000 2.253 365 M HA 0.355 4.835 4.480 -0.000 0.000 0.314 365 M C -2.501 173.812 176.300 0.022 0.000 1.019 365 M CA -2.256 53.052 55.300 0.015 0.000 0.932 365 M CB 2.065 34.662 32.600 -0.006 0.000 1.606 365 M HN 0.215 nan 8.290 nan 0.000 0.430 366 P HA 0.095 nan 4.420 nan 0.000 0.272 366 P C -0.136 177.199 177.300 0.058 0.000 1.248 366 P CA 0.176 63.302 63.100 0.043 0.000 0.799 366 P CB 0.651 32.377 31.700 0.043 0.000 0.997 367 N N -1.648 117.103 118.700 0.086 0.000 2.250 367 N HA 0.032 4.772 4.740 -0.000 0.000 0.190 367 N C -0.638 174.972 175.510 0.168 0.000 1.116 367 N CA 0.460 53.576 53.050 0.110 0.000 0.881 367 N CB 0.198 38.742 38.487 0.094 0.000 1.006 367 N HN 0.396 nan 8.380 nan 0.000 0.491 368 H N -1.275 117.816 119.070 0.034 0.000 3.136 368 H HA 0.073 4.628 4.556 -0.000 0.000 0.313 368 H C -2.442 172.902 175.328 0.027 0.000 1.103 368 H CA -0.742 55.327 56.048 0.034 0.000 1.437 368 H CB 1.622 31.401 29.762 0.027 0.000 2.063 368 H HN -0.115 nan 8.280 nan 0.000 0.495 369 P HA -0.080 nan 4.420 nan 0.000 0.220 369 P C -0.166 177.247 177.300 0.188 0.000 1.148 369 P CA 0.792 63.929 63.100 0.062 0.000 0.803 369 P CB 1.021 32.696 31.700 -0.041 0.000 0.782 373 E N 2.507 122.705 120.200 -0.003 0.000 2.396 373 E HA -0.126 4.224 4.350 -0.000 0.000 0.200 373 E C 0.595 177.192 176.600 -0.004 0.000 1.023 373 E CA 0.959 57.353 56.400 -0.009 0.000 0.857 373 E CB 0.047 29.731 29.700 -0.027 0.000 0.775 373 E HN 0.573 nan 8.360 nan 0.000 0.525 374 M N 0.638 120.241 119.600 0.005 0.000 2.618 374 M HA 0.120 4.600 4.480 -0.000 0.000 0.240 374 M C 1.201 177.522 176.300 0.035 0.000 1.123 374 M CA 0.628 55.940 55.300 0.019 0.000 1.060 374 M CB 0.174 32.797 32.600 0.037 0.000 1.535 374 M HN 0.357 nan 8.290 nan 0.000 0.507 375 G N 1.273 110.092 108.800 0.032 0.000 2.543 375 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.286 375 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.286 375 G C 0.027 174.951 174.900 0.041 0.000 1.153 375 G CA 0.351 45.471 45.100 0.033 0.000 0.968 375 G HN 0.695 nan 8.290 nan 0.000 0.544 376 S N -1.097 114.628 115.700 0.042 0.000 2.806 376 S HA 0.759 5.229 4.470 -0.000 0.000 0.294 376 S C -0.754 173.872 174.600 0.043 0.000 1.239 376 S CA 0.692 58.917 58.200 0.042 0.000 1.052 376 S CB 1.370 64.590 63.200 0.033 0.000 1.332 376 S HN 2.516 nan 8.310 nan 0.000 0.516 377 R N -0.459 120.063 120.500 0.036 0.000 3.197 377 R HA 0.384 4.723 4.340 -0.000 0.000 0.261 377 R C -2.191 174.124 176.300 0.025 0.000 1.015 377 R CA -0.875 55.245 56.100 0.033 0.000 0.949 377 R CB 0.371 30.695 30.300 0.039 0.000 1.256 377 R HN 0.504 nan 8.270 nan 0.000 0.514 378 Q N 1.776 121.591 119.800 0.025 0.000 2.294 378 Q HA 0.374 4.714 4.340 -0.000 0.000 0.257 378 Q C -0.567 175.444 176.000 0.019 0.000 0.955 378 Q CA -0.504 55.315 55.803 0.026 0.000 0.936 378 Q CB 1.913 30.668 28.738 0.027 0.000 1.188 378 Q HN 0.436 nan 8.270 nan 0.000 0.420 379 V N 5.699 125.631 119.914 0.030 0.000 2.417 379 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 379 V C -2.172 173.977 176.094 0.091 0.000 1.024 379 V CA -2.116 60.197 62.300 0.023 0.000 0.861 379 V CB 1.776 33.581 31.823 -0.029 0.000 0.985 379 V HN 0.589 nan 8.190 nan 0.000 0.436 380 P HA 0.162 nan 4.420 nan 0.000 0.268 380 P C -1.058 176.344 177.300 0.169 0.000 1.205 380 P CA 0.121 63.188 63.100 -0.055 0.000 0.771 380 P CB 0.215 31.680 31.700 -0.391 0.000 0.858 381 F N 2.731 122.660 119.950 -0.034 0.000 2.659 381 F HA 0.423 4.950 4.527 -0.000 0.000 0.342 381 F C -0.146 175.551 175.800 -0.172 0.000 1.168 381 F CA -0.208 57.756 58.000 -0.061 0.000 1.003 381 F CB 0.934 39.877 39.000 -0.095 0.000 1.267 381 F HN 0.336 nan 8.300 nan 0.000 0.463 382 S N 2.667 117.930 115.700 -0.728 0.000 2.786 382 S HA 0.693 5.163 4.470 -0.000 0.000 0.307 382 S C 0.822 174.612 174.600 -1.351 0.000 1.121 382 S CA -0.190 57.608 58.200 -0.669 0.000 0.975 382 S CB 1.280 64.306 63.200 -0.291 0.000 1.220 382 S HN 0.820 nan 8.310 nan 0.000 0.550 383 G N -1.292 106.869 108.800 -1.063 0.000 3.042 383 G HA2 0.449 4.409 3.960 -0.000 0.000 0.212 383 G HA3 0.449 4.409 3.960 -0.000 0.000 0.212 383 G C 0.230 174.765 174.900 -0.609 0.000 1.166 383 G CA 0.437 44.932 45.100 -1.009 0.000 0.767 383 G HN 1.152 nan 8.290 nan 0.000 0.546 384 E N 0.718 120.579 120.200 -0.565 0.000 2.207 384 E HA 0.624 4.974 4.350 -0.000 0.000 0.250 384 E C -0.406 175.846 176.600 -0.580 0.000 0.890 384 E CA -0.912 55.175 56.400 -0.522 0.000 0.749 384 E CB 0.757 30.194 29.700 -0.439 0.000 1.193 384 E HN 0.631 nan 8.360 nan 0.000 0.423 385 I N -3.011 117.214 120.570 -0.575 0.000 2.846 385 I HA 0.861 5.031 4.170 -0.000 0.000 0.307 385 I C -0.735 175.160 176.117 -0.370 0.000 1.053 385 I CA -1.587 59.456 61.300 -0.429 0.000 1.050 385 I CB 2.073 39.873 38.000 -0.333 0.000 1.239 385 I HN 0.518 nan 8.210 nan 0.000 0.439 386 W N 5.435 126.655 121.300 -0.133 0.000 2.429 386 W HA 0.695 5.355 4.660 -0.000 0.000 0.314 386 W C -0.292 176.188 176.519 -0.065 0.000 1.062 386 W CA -0.647 56.636 57.345 -0.104 0.000 1.211 386 W CB 1.821 31.227 29.460 -0.090 0.000 1.305 386 W HN 0.468 nan 8.180 nan 0.000 0.476 387 I N -1.200 119.501 120.570 0.218 0.000 3.108 387 I HA 0.512 4.682 4.170 -0.000 0.000 0.312 387 I C -0.440 175.698 176.117 0.034 0.000 1.095 387 I CA -1.172 60.156 61.300 0.047 0.000 1.000 387 I CB 1.657 39.678 38.000 0.036 0.000 1.229 387 I HN 0.163 nan 8.210 nan 0.000 0.454 388 D N 1.861 122.225 120.400 -0.061 0.000 2.304 388 D HA 0.164 4.804 4.640 -0.000 0.000 0.250 388 D C 0.702 177.067 176.300 0.108 0.000 1.107 388 D CA -0.369 53.653 54.000 0.036 0.000 0.885 388 D CB 1.344 42.207 40.800 0.105 0.000 1.192 388 D HN 0.709 nan 8.370 nan 0.000 0.436 389 R N 2.565 123.138 120.500 0.121 0.000 2.323 389 R HA 0.050 4.389 4.340 -0.000 0.000 0.198 389 R C 1.341 177.750 176.300 0.181 0.000 0.988 389 R CA 0.309 56.504 56.100 0.159 0.000 1.041 389 R CB -0.045 30.333 30.300 0.130 0.000 0.926 389 R HN 0.241 nan 8.270 nan 0.000 0.476 390 A N 1.734 124.654 122.820 0.167 0.000 2.067 390 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 390 A C 1.096 178.830 177.584 0.251 0.000 1.156 390 A CA 0.898 53.042 52.037 0.178 0.000 0.683 390 A CB 0.019 19.115 19.000 0.159 0.000 0.808 390 A HN 0.209 nan 8.150 nan 0.000 0.455 391 D N -1.595 118.957 120.400 0.252 0.000 2.328 391 D HA 0.174 4.814 4.640 -0.000 0.000 0.226 391 D C -0.454 176.088 176.300 0.402 0.000 1.066 391 D CA 0.271 54.441 54.000 0.284 0.000 0.861 391 D CB 0.105 41.023 40.800 0.196 0.000 0.912 391 D HN 0.388 nan 8.370 nan 0.000 0.521 392 F N 0.945 121.027 119.950 0.219 0.000 2.561 392 F HA 0.565 5.092 4.527 -0.000 0.000 0.321 392 F C -0.806 175.064 175.800 0.117 0.000 1.065 392 F CA -1.229 56.880 58.000 0.183 0.000 0.934 392 F CB 1.616 40.679 39.000 0.104 0.000 1.215 392 F HN -0.393 nan 8.300 nan 0.000 0.471 393 R N 3.420 123.228 120.500 -1.153 0.000 2.572 393 R HA 0.194 4.533 4.340 -0.000 0.000 0.273 393 R C 0.181 175.863 176.300 -1.030 0.000 1.168 393 R CA -0.304 55.237 56.100 -0.931 0.000 1.021 393 R CB 1.351 31.155 30.300 -0.826 0.000 1.249 393 R HN 0.844 nan 8.270 nan 0.000 0.423 394 E N 1.665 121.440 120.200 -0.709 0.000 2.204 394 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 394 E C -0.472 175.993 176.600 -0.225 0.000 0.990 394 E CA 1.170 57.364 56.400 -0.344 0.000 0.821 394 E CB 0.139 29.772 29.700 -0.111 0.000 0.750 394 E HN 0.546 nan 8.360 nan 0.000 0.477 395 E N -0.688 119.359 120.200 -0.255 0.000 2.363 395 E HA 0.708 5.057 4.350 -0.000 0.000 0.281 395 E C -1.271 175.192 176.600 -0.228 0.000 0.953 395 E CA -0.840 55.454 56.400 -0.177 0.000 0.778 395 E CB 1.708 31.345 29.700 -0.106 0.000 1.220 395 E HN 0.087 nan 8.360 nan 0.000 0.431 396 A N 2.038 124.757 122.820 -0.169 0.000 2.608 396 A HA 0.634 4.954 4.320 -0.000 0.000 0.292 396 A C -0.784 176.777 177.584 -0.038 0.000 1.066 396 A CA -0.831 51.106 52.037 -0.166 0.000 0.676 396 A CB 0.837 19.621 19.000 -0.360 0.000 1.277 396 A HN 0.773 nan 8.150 nan 0.000 0.413 397 N N 1.068 119.764 118.700 -0.006 0.000 2.260 397 N HA 0.015 4.755 4.740 -0.000 0.000 0.270 397 N C 0.856 176.403 175.510 0.061 0.000 1.281 397 N CA 0.510 53.575 53.050 0.025 0.000 0.918 397 N CB 0.166 38.667 38.487 0.023 0.000 1.028 397 N HN 0.780 nan 8.380 nan 0.000 0.482 398 K N -0.676 119.756 120.400 0.053 0.000 2.103 398 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 398 K C 1.806 178.450 176.600 0.072 0.000 1.052 398 K CA 0.760 57.081 56.287 0.057 0.000 0.945 398 K CB 0.028 32.551 32.500 0.039 0.000 0.722 398 K HN 0.373 nan 8.250 nan 0.000 0.443 399 Q N 0.173 120.018 119.800 0.075 0.000 2.045 399 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 399 Q C 0.357 176.423 176.000 0.110 0.000 0.991 399 Q CA 1.079 56.930 55.803 0.080 0.000 0.851 399 Q CB -0.803 27.981 28.738 0.077 0.000 0.911 399 Q HN 0.317 nan 8.270 nan 0.000 0.418 400 Y N 3.161 123.465 120.300 0.006 0.000 2.954 400 Y HA -0.203 4.347 4.550 -0.000 0.000 0.351 400 Y C 0.987 176.897 175.900 0.016 0.000 1.282 400 Y CA 0.735 58.839 58.100 0.006 0.000 1.614 400 Y CB 0.216 38.670 38.460 -0.010 0.000 1.183 400 Y HN 0.063 nan 8.280 nan 0.000 0.566 401 K N 4.972 125.140 120.400 -0.386 0.000 2.570 401 K HA 0.361 4.681 4.320 -0.000 0.000 0.210 401 K C 0.110 176.492 176.600 -0.364 0.000 1.048 401 K CA -0.208 55.916 56.287 -0.271 0.000 1.167 401 K CB 0.782 33.185 32.500 -0.162 0.000 0.892 401 K HN 0.521 nan 8.250 nan 0.000 0.480 402 R N -0.165 119.948 120.500 -0.645 0.000 3.416 402 R HA 0.371 4.710 4.340 -0.000 0.000 0.236 402 R C -1.080 175.208 176.300 -0.020 0.000 1.576 402 R CA -1.105 54.774 56.100 -0.369 0.000 1.011 402 R CB 0.225 30.225 30.300 -0.501 0.000 1.670 402 R HN 0.029 nan 8.270 nan 0.000 0.519 403 L N 2.448 123.762 121.223 0.153 0.000 2.433 403 L HA 0.181 4.521 4.340 -0.000 0.000 0.284 403 L C -0.578 176.476 176.870 0.307 0.000 1.120 403 L CA 0.202 55.205 54.840 0.271 0.000 0.879 403 L CB 0.312 42.585 42.059 0.357 0.000 1.232 403 L HN 0.273 nan 8.230 nan 0.000 0.454 404 V N 5.050 125.093 119.914 0.214 0.000 3.698 404 V HA 0.030 4.149 4.120 -0.000 0.000 0.280 404 V C 1.111 177.282 176.094 0.129 0.000 0.995 404 V CA -0.292 62.065 62.300 0.095 0.000 1.000 404 V CB 0.660 32.540 31.823 0.095 0.000 1.248 404 V HN 0.786 nan 8.190 nan 0.000 0.429 405 L N 0.593 121.850 121.223 0.058 0.000 2.307 405 L HA 0.320 4.659 4.340 -0.000 0.000 0.211 405 L C 1.732 178.702 176.870 0.167 0.000 1.099 405 L CA 2.032 56.980 54.840 0.180 0.000 0.816 405 L CB -0.337 41.780 42.059 0.096 0.000 0.952 405 L HN 0.794 nan 8.230 nan 0.000 0.455 406 G N -1.339 107.527 108.800 0.109 0.000 3.519 406 G HA2 0.177 4.137 3.960 -0.000 0.000 0.269 406 G HA3 0.177 4.137 3.960 -0.000 0.000 0.269 406 G C 0.559 175.511 174.900 0.088 0.000 1.028 406 G CA -0.238 44.917 45.100 0.091 0.000 0.809 406 G HN 0.190 nan 8.290 nan 0.000 0.521 407 K N -0.403 120.061 120.400 0.107 0.000 1.966 407 K HA 0.646 4.966 4.320 -0.000 0.000 0.252 407 K C -0.136 176.535 176.600 0.118 0.000 1.033 407 K CA -0.708 55.638 56.287 0.098 0.000 1.000 407 K CB 1.307 33.861 32.500 0.089 0.000 1.778 407 K HN 0.171 nan 8.250 nan 0.000 0.750 408 E N -0.756 119.507 120.200 0.106 0.000 2.357 408 E HA 0.423 4.772 4.350 -0.000 0.000 0.264 408 E C -1.342 175.311 176.600 0.088 0.000 1.164 408 E CA -0.793 55.672 56.400 0.108 0.000 0.893 408 E CB 1.069 30.824 29.700 0.092 0.000 1.619 408 E HN 0.298 nan 8.360 nan 0.000 0.464 409 V N -2.904 117.060 119.914 0.083 0.000 3.230 409 V HA 0.673 4.793 4.120 -0.000 0.000 0.302 409 V C -0.871 175.261 176.094 0.064 0.000 1.421 409 V CA -1.273 61.066 62.300 0.065 0.000 1.065 409 V CB 1.754 33.615 31.823 0.063 0.000 1.097 409 V HN 0.815 nan 8.190 nan 0.000 0.460 410 R N 0.823 121.358 120.500 0.058 0.000 2.265 410 R HA 0.640 4.979 4.340 -0.000 0.000 0.328 410 R C -1.068 175.275 176.300 0.072 0.000 0.969 410 R CA -0.727 55.404 56.100 0.053 0.000 0.832 410 R CB 1.065 31.390 30.300 0.043 0.000 1.139 410 R HN 0.812 nan 8.270 nan 0.000 0.457 411 L N 4.807 126.048 121.223 0.030 0.000 2.500 411 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 411 L C 0.761 177.755 176.870 0.206 0.000 1.149 411 L CA -0.208 54.660 54.840 0.046 0.000 0.897 411 L CB 0.113 41.923 42.059 -0.415 0.000 1.178 411 L HN 0.477 nan 8.230 nan 0.000 0.473 412 R N 4.690 125.446 120.500 0.427 0.000 2.481 412 R HA -0.159 4.181 4.340 -0.000 0.000 0.291 412 R C 0.818 177.337 176.300 0.365 0.000 0.934 412 R CA 0.623 56.918 56.100 0.326 0.000 1.116 412 R CB -0.318 30.122 30.300 0.233 0.000 0.895 412 R HN 0.688 nan 8.270 nan 0.000 0.410 413 N N 0.358 119.140 118.700 0.137 0.000 2.690 413 N HA -0.297 4.443 4.740 -0.000 0.000 0.249 413 N C -0.518 174.946 175.510 -0.077 0.000 1.125 413 N CA 1.554 54.634 53.050 0.050 0.000 0.794 413 N CB -1.003 37.533 38.487 0.082 0.000 1.152 413 N HN 0.649 nan 8.380 nan 0.000 0.571 414 A N -1.021 121.695 122.820 -0.173 0.000 3.981 414 A HA 0.763 5.082 4.320 -0.000 0.000 0.153 414 A C -0.260 176.854 177.584 -0.783 0.000 1.090 414 A CA -0.284 51.332 52.037 -0.702 0.000 0.990 414 A CB 0.463 18.974 19.000 -0.815 0.000 1.553 414 A HN 0.050 nan 8.150 nan 0.000 0.696 415 Y N -1.793 118.279 120.300 -0.380 0.000 2.654 415 Y HA 0.568 5.118 4.550 -0.000 0.000 0.327 415 Y C 0.372 176.227 175.900 -0.074 0.000 1.122 415 Y CA -1.104 56.889 58.100 -0.180 0.000 1.227 415 Y CB 0.737 39.127 38.460 -0.116 0.000 1.370 415 Y HN 0.289 nan 8.280 nan 0.000 0.528 416 V N 2.694 122.711 119.914 0.171 0.000 2.686 416 V HA 0.253 4.373 4.120 -0.000 0.000 0.295 416 V C 0.351 176.533 176.094 0.146 0.000 1.057 416 V CA -0.426 61.940 62.300 0.110 0.000 1.012 416 V CB 0.745 32.613 31.823 0.074 0.000 1.006 416 V HN 0.530 nan 8.190 nan 0.000 0.477 417 I N 2.474 123.114 120.570 0.116 0.000 4.011 417 I HA 0.606 4.776 4.170 -0.000 0.000 0.258 417 I C -0.048 176.137 176.117 0.113 0.000 1.393 417 I CA -1.004 60.373 61.300 0.128 0.000 1.045 417 I CB 0.900 38.952 38.000 0.087 0.000 1.523 417 I HN 0.455 nan 8.210 nan 0.000 0.613 418 K N 0.968 121.434 120.400 0.111 0.000 2.335 418 K HA 0.333 4.653 4.320 -0.000 0.000 0.365 418 K C -1.374 175.294 176.600 0.114 0.000 1.490 418 K CA -0.276 56.075 56.287 0.107 0.000 1.129 418 K CB 1.079 33.634 32.500 0.092 0.000 1.406 418 K HN 0.697 nan 8.250 nan 0.000 0.487 419 A N 2.940 125.847 122.820 0.146 0.000 2.561 419 A HA 0.056 4.376 4.320 -0.000 0.000 0.251 419 A C 0.464 178.137 177.584 0.148 0.000 1.062 419 A CA 0.708 52.849 52.037 0.173 0.000 0.761 419 A CB 0.318 19.526 19.000 0.348 0.000 0.986 419 A HN 0.842 nan 8.150 nan 0.000 0.510 420 E N 1.279 121.554 120.200 0.124 0.000 2.625 420 E HA 0.233 4.583 4.350 -0.000 0.000 0.185 420 E C 0.835 177.500 176.600 0.108 0.000 1.085 420 E CA 0.209 56.673 56.400 0.107 0.000 1.137 420 E CB 0.230 29.985 29.700 0.091 0.000 1.687 420 E HN 0.691 nan 8.360 nan 0.000 0.512 421 R N 0.368 120.942 120.500 0.124 0.000 2.668 421 R HA 0.632 4.972 4.340 -0.000 0.000 0.279 421 R C -1.476 174.970 176.300 0.244 0.000 0.976 421 R CA -0.511 55.645 56.100 0.093 0.000 0.978 421 R CB 1.490 31.705 30.300 -0.142 0.000 1.133 421 R HN 0.066 nan 8.270 nan 0.000 0.484 422 V N 2.488 122.528 119.914 0.209 0.000 2.610 422 V HA 0.238 4.358 4.120 -0.000 0.000 0.298 422 V C -0.915 175.299 176.094 0.199 0.000 1.067 422 V CA -0.824 61.610 62.300 0.223 0.000 0.894 422 V CB 1.705 33.623 31.823 0.159 0.000 1.015 422 V HN 0.822 nan 8.190 nan 0.000 0.432 423 E N 3.725 124.076 120.200 0.251 0.000 2.242 423 E HA 0.577 4.926 4.350 -0.000 0.000 0.275 423 E C -0.335 176.333 176.600 0.113 0.000 1.002 423 E CA -0.621 55.886 56.400 0.178 0.000 0.841 423 E CB 1.306 31.158 29.700 0.254 0.000 1.109 423 E HN 0.529 nan 8.360 nan 0.000 0.394 424 K N 1.652 122.104 120.400 0.086 0.000 2.220 424 K HA 0.388 4.707 4.320 -0.000 0.000 0.265 424 K C -0.308 176.326 176.600 0.056 0.000 0.988 424 K CA -0.408 55.920 56.287 0.069 0.000 1.369 424 K CB 0.196 32.733 32.500 0.061 0.000 2.234 424 K HN 0.759 nan 8.250 nan 0.000 0.900 425 D N -2.641 117.787 120.400 0.046 0.000 2.768 425 D HA 0.216 4.856 4.640 -0.000 0.000 0.327 425 D C 0.227 176.545 176.300 0.030 0.000 1.302 425 D CA -0.377 53.645 54.000 0.038 0.000 0.897 425 D CB 0.755 41.577 40.800 0.037 0.000 1.420 425 D HN 0.242 nan 8.370 nan 0.000 0.494 426 A N -0.335 122.500 122.820 0.025 0.000 2.015 426 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 426 A C 1.852 179.448 177.584 0.020 0.000 1.163 426 A CA 2.101 54.150 52.037 0.020 0.000 0.646 426 A CB -0.624 18.386 19.000 0.017 0.000 0.806 426 A HN 0.558 nan 8.150 nan 0.000 0.448 427 E N -1.875 118.338 120.200 0.022 0.000 2.140 427 E HA 0.260 4.609 4.350 -0.000 0.000 0.191 427 E C 1.357 177.971 176.600 0.023 0.000 0.973 427 E CA 1.428 57.840 56.400 0.020 0.000 0.829 427 E CB 0.101 29.813 29.700 0.020 0.000 0.781 427 E HN 0.590 nan 8.360 nan 0.000 0.466 428 G N -0.040 108.778 108.800 0.029 0.000 2.699 428 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.198 428 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.198 428 G C 0.114 175.040 174.900 0.043 0.000 1.033 428 G CA -0.154 44.966 45.100 0.034 0.000 0.728 428 G HN 0.291 nan 8.290 nan 0.000 0.484 429 N N 1.723 120.449 118.700 0.042 0.000 2.412 429 N HA 0.334 5.074 4.740 -0.000 0.000 0.258 429 N C 0.945 176.491 175.510 0.061 0.000 1.236 429 N CA -0.013 53.067 53.050 0.051 0.000 0.882 429 N CB 0.072 38.585 38.487 0.044 0.000 1.066 429 N HN 0.440 nan 8.380 nan 0.000 0.465 430 I N 1.424 122.041 120.570 0.077 0.000 2.932 430 I HA -0.138 4.032 4.170 -0.000 0.000 0.295 430 I C 1.471 177.624 176.117 0.059 0.000 1.227 430 I CA 0.621 61.967 61.300 0.077 0.000 1.429 430 I CB 0.391 38.449 38.000 0.097 0.000 1.339 430 I HN 0.728 nan 8.210 nan 0.000 0.589 431 T N -1.049 113.532 114.554 0.046 0.000 3.043 431 T HA 0.138 4.488 4.350 -0.000 0.000 0.272 431 T C 0.381 175.071 174.700 -0.016 0.000 0.990 431 T CA 0.001 62.122 62.100 0.036 0.000 0.897 431 T CB 0.404 69.298 68.868 0.044 0.000 1.111 431 T HN 0.745 nan 8.240 nan 0.000 0.529 432 T N 1.201 115.710 114.554 -0.074 0.000 4.206 432 T HA 0.278 4.628 4.350 -0.000 0.000 0.333 432 T C -1.019 173.433 174.700 -0.413 0.000 0.757 432 T CA -0.686 61.254 62.100 -0.267 0.000 0.935 432 T CB -0.525 68.136 68.868 -0.344 0.000 1.233 432 T HN 0.335 nan 8.240 nan 0.000 0.454 433 I N 4.461 124.772 120.570 -0.432 0.000 2.836 433 I HA 0.454 4.624 4.170 -0.000 0.000 0.285 433 I C -0.084 175.673 176.117 -0.600 0.000 1.174 433 I CA -0.144 60.882 61.300 -0.457 0.000 1.405 433 I CB 0.515 38.161 38.000 -0.590 0.000 1.385 433 I HN 0.485 nan 8.210 nan 0.000 0.594 434 F N 3.256 123.084 119.950 -0.205 0.000 2.563 434 F HA 0.668 5.195 4.527 -0.000 0.000 0.316 434 F C -0.109 175.628 175.800 -0.105 0.000 1.076 434 F CA -0.371 57.549 58.000 -0.134 0.000 0.921 434 F CB 1.885 40.834 39.000 -0.085 0.000 1.209 434 F HN 0.616 nan 8.300 nan 0.000 0.462 435 C N -1.158 118.209 119.300 0.111 0.000 3.034 435 C HA 0.696 5.156 4.460 -0.000 0.000 0.336 435 C C -0.299 174.749 174.990 0.097 0.000 1.304 435 C CA -0.948 58.120 59.018 0.083 0.000 1.197 435 C CB 0.770 28.532 27.740 0.036 0.000 1.373 435 C HN 1.071 nan 8.230 nan 0.000 0.459 436 T N -1.368 113.263 114.554 0.129 0.000 2.876 436 T HA 0.950 5.300 4.350 -0.000 0.000 0.277 436 T C -0.647 174.229 174.700 0.294 0.000 0.997 436 T CA 0.032 62.257 62.100 0.208 0.000 0.966 436 T CB 1.597 70.565 68.868 0.166 0.000 1.312 436 T HN 2.241 nan 8.240 nan 0.000 0.598 437 Y N -1.315 119.014 120.300 0.049 0.000 2.829 437 Y HA 0.793 5.342 4.550 -0.000 0.000 0.322 437 Y C -1.310 174.595 175.900 0.007 0.000 1.357 437 Y CA -2.002 56.128 58.100 0.049 0.000 1.081 437 Y CB 0.243 38.766 38.460 0.105 0.000 1.339 437 Y HN 0.800 nan 8.280 nan 0.000 0.469 438 D N 0.115 120.330 120.400 -0.308 0.000 2.277 438 D HA 0.582 5.222 4.640 -0.000 0.000 0.250 438 D C 1.031 176.859 176.300 -0.787 0.000 1.032 438 D CA 0.147 53.885 54.000 -0.437 0.000 0.947 438 D CB 2.095 42.785 40.800 -0.184 0.000 1.159 438 D HN 0.891 nan 8.370 nan 0.000 0.460 439 A N 2.421 124.908 122.820 -0.555 0.000 1.940 439 A HA 0.020 4.339 4.320 -0.000 0.000 0.219 439 A C 0.163 177.451 177.584 -0.493 0.000 1.176 439 A CA 1.978 53.713 52.037 -0.503 0.000 0.631 439 A CB -0.544 18.282 19.000 -0.290 0.000 0.814 439 A HN 0.755 nan 8.150 nan 0.000 0.446 440 D N -4.572 115.606 120.400 -0.369 0.000 2.687 440 D HA 0.211 4.851 4.640 -0.000 0.000 0.213 440 D C -0.278 176.011 176.300 -0.018 0.000 1.218 440 D CA 0.291 54.131 54.000 -0.265 0.000 0.768 440 D CB 0.017 40.729 40.800 -0.148 0.000 1.855 440 D HN 0.196 nan 8.370 nan 0.000 0.508 441 T N -0.855 113.830 114.554 0.218 0.000 3.041 441 T HA 0.187 4.537 4.350 -0.000 0.000 0.276 441 T C 0.930 175.706 174.700 0.127 0.000 0.948 441 T CA -0.185 62.002 62.100 0.145 0.000 0.885 441 T CB 0.108 69.054 68.868 0.130 0.000 1.175 441 T HN 0.262 nan 8.240 nan 0.000 0.529 456 I N 0.529 121.198 120.570 0.165 0.000 2.994 456 I HA 0.795 4.964 4.170 -0.000 0.000 0.306 456 I C -0.135 176.182 176.117 0.334 0.000 1.195 456 I CA -1.054 60.383 61.300 0.227 0.000 1.001 456 I CB 2.401 40.517 38.000 0.193 0.000 1.244 456 I HN 0.884 nan 8.210 nan 0.000 0.437 457 H N 1.924 121.063 119.070 0.114 0.000 2.607 457 H HA 0.653 5.209 4.556 -0.000 0.000 0.367 457 H C -1.199 174.202 175.328 0.123 0.000 1.181 457 H CA -0.538 55.520 56.048 0.016 0.000 1.402 457 H CB 1.110 30.813 29.762 -0.099 0.000 1.474 457 H HN 0.821 nan 8.280 nan 0.000 0.596 458 W N 0.656 121.917 121.300 -0.064 0.000 2.937 458 W HA 0.557 5.216 4.660 -0.000 0.000 0.360 458 W C -2.438 174.042 176.519 -0.065 0.000 1.215 458 W CA -1.171 56.109 57.345 -0.109 0.000 1.183 458 W CB 0.911 30.340 29.460 -0.052 0.000 1.458 458 W HN 0.723 nan 8.180 nan 0.000 0.574 459 V N 1.579 121.618 119.914 0.208 0.000 2.852 459 V HA 0.355 4.475 4.120 -0.000 0.000 0.300 459 V C -0.441 175.785 176.094 0.220 0.000 1.205 459 V CA -0.271 62.069 62.300 0.067 0.000 0.940 459 V CB 1.779 33.573 31.823 -0.048 0.000 1.047 459 V HN 0.784 nan 8.190 nan 0.000 0.429 460 S N 4.731 120.545 115.700 0.190 0.000 2.544 460 S HA 0.370 4.839 4.470 -0.000 0.000 0.290 460 S C 1.439 176.037 174.600 -0.003 0.000 1.276 460 S CA 0.521 58.744 58.200 0.038 0.000 1.075 460 S CB 1.154 64.398 63.200 0.073 0.000 0.849 460 S HN 1.599 nan 8.310 nan 0.000 0.494 461 A N 5.744 128.431 122.820 -0.221 0.000 1.873 461 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 461 A C 2.394 179.862 177.584 -0.195 0.000 1.186 461 A CA 1.685 53.499 52.037 -0.371 0.000 0.616 461 A CB -1.386 17.110 19.000 -0.841 0.000 0.823 461 A HN 1.165 nan 8.150 nan 0.000 0.442 462 A N -0.317 122.404 122.820 -0.165 0.000 1.858 462 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 462 A C 1.007 178.437 177.584 -0.257 0.000 1.190 462 A CA 1.367 53.274 52.037 -0.216 0.000 0.617 462 A CB -0.817 18.031 19.000 -0.253 0.000 0.827 462 A HN 0.627 nan 8.150 nan 0.000 0.443 463 H N -0.268 118.764 119.070 -0.063 0.000 2.914 463 H HA 0.681 5.237 4.556 -0.000 0.000 0.264 463 H C -0.112 175.203 175.328 -0.021 0.000 1.433 463 H CA 0.358 56.390 56.048 -0.028 0.000 1.342 463 H CB 0.014 29.768 29.762 -0.012 0.000 1.582 463 H HN 0.535 nan 8.280 nan 0.000 0.525 464 A N 2.695 125.547 122.820 0.052 0.000 2.574 464 A HA 0.503 4.822 4.320 -0.000 0.000 0.297 464 A C -1.510 176.137 177.584 0.105 0.000 1.062 464 A CA -0.792 51.286 52.037 0.067 0.000 0.686 464 A CB 1.559 20.586 19.000 0.045 0.000 1.285 464 A HN 0.415 nan 8.150 nan 0.000 0.403 465 L N 2.095 123.389 121.223 0.119 0.000 2.272 465 L HA 0.386 4.726 4.340 -0.000 0.000 0.289 465 L C -2.417 174.554 176.870 0.169 0.000 1.032 465 L CA -1.557 53.351 54.840 0.114 0.000 0.810 465 L CB 1.366 43.451 42.059 0.043 0.000 1.205 465 L HN 0.385 nan 8.230 nan 0.000 0.422 466 P HA 0.121 nan 4.420 nan 0.000 0.271 466 P C -0.414 176.826 177.300 -0.099 0.000 1.380 466 P CA 0.048 63.133 63.100 -0.024 0.000 0.992 466 P CB 0.645 32.374 31.700 0.049 0.000 1.230 467 V N 3.275 123.088 119.914 -0.168 0.000 2.630 467 V HA 0.292 4.412 4.120 -0.000 0.000 0.305 467 V C 0.502 176.542 176.094 -0.090 0.000 1.046 467 V CA -0.716 61.555 62.300 -0.048 0.000 0.934 467 V CB 2.000 33.843 31.823 0.032 0.000 1.003 467 V HN 0.388 nan 8.190 nan 0.000 0.451 468 E N 3.334 123.543 120.200 0.015 0.000 2.216 468 E HA 0.438 4.788 4.350 -0.000 0.000 0.279 468 E C -1.479 175.165 176.600 0.073 0.000 0.997 468 E CA -0.582 55.812 56.400 -0.010 0.000 0.817 468 E CB 1.070 30.764 29.700 -0.011 0.000 1.096 468 E HN 0.411 nan 8.360 nan 0.000 0.393 469 I N 4.705 125.287 120.570 0.020 0.000 2.439 469 I HA 0.318 4.487 4.170 -0.000 0.000 0.285 469 I C -0.327 175.806 176.117 0.026 0.000 1.021 469 I CA -0.541 60.808 61.300 0.082 0.000 1.091 469 I CB 1.427 39.452 38.000 0.041 0.000 1.242 469 I HN 0.546 nan 8.210 nan 0.000 0.439 470 R N 6.579 127.100 120.500 0.034 0.000 2.239 470 R HA 0.580 4.919 4.340 -0.000 0.000 0.332 470 R C -0.856 175.271 176.300 -0.288 0.000 0.988 470 R CA -0.663 55.321 56.100 -0.192 0.000 0.859 470 R CB 1.449 31.588 30.300 -0.269 0.000 1.148 470 R HN 0.478 nan 8.270 nan 0.000 0.482 471 L N 4.645 125.718 121.223 -0.250 0.000 2.261 471 L HA 0.343 4.682 4.340 -0.000 0.000 0.289 471 L C -0.144 176.566 176.870 -0.267 0.000 1.059 471 L CA -0.520 54.225 54.840 -0.159 0.000 0.816 471 L CB 0.004 42.039 42.059 -0.039 0.000 1.191 471 L HN 0.475 nan 8.230 nan 0.000 0.431 472 Y N 1.753 122.042 120.300 -0.018 0.000 2.576 472 Y HA 0.458 5.008 4.550 -0.000 0.000 0.406 472 Y C 0.684 176.557 175.900 -0.045 0.000 1.381 472 Y CA -0.238 57.843 58.100 -0.030 0.000 1.763 472 Y CB 0.535 38.981 38.460 -0.025 0.000 1.736 472 Y HN 0.544 nan 8.280 nan 0.000 0.634 473 D N -2.027 118.469 120.400 0.161 0.000 3.056 473 D HA 0.016 4.656 4.640 -0.000 0.000 0.303 473 D C -1.495 174.805 176.300 0.001 0.000 1.195 473 D CA -0.809 53.213 54.000 0.037 0.000 0.721 473 D CB 0.573 41.370 40.800 -0.005 0.000 1.276 473 D HN 0.561 nan 8.370 nan 0.000 0.452 474 R N 1.101 121.566 120.500 -0.058 0.000 2.640 474 R HA 0.152 4.492 4.340 -0.000 0.000 0.270 474 R C 1.276 177.536 176.300 -0.068 0.000 1.024 474 R CA -0.271 55.793 56.100 -0.060 0.000 1.085 474 R CB 0.604 30.780 30.300 -0.206 0.000 0.963 474 R HN 0.434 nan 8.270 nan 0.000 0.426 475 L N 1.265 122.427 121.223 -0.101 0.000 2.201 475 L HA 0.049 4.389 4.340 -0.000 0.000 0.212 475 L C -0.078 176.326 176.870 -0.776 0.000 1.105 475 L CA 1.100 55.661 54.840 -0.464 0.000 0.775 475 L CB 0.134 41.803 42.059 -0.650 0.000 0.913 475 L HN 0.560 nan 8.230 nan 0.000 0.440 476 F N -2.867 117.178 119.950 0.158 0.000 2.603 476 F HA 0.179 4.706 4.527 -0.000 0.000 0.317 476 F C 1.157 177.092 175.800 0.226 0.000 1.066 476 F CA -0.630 57.477 58.000 0.179 0.000 0.941 476 F CB 1.508 40.621 39.000 0.189 0.000 1.291 476 F HN -0.289 nan 8.300 nan 0.000 0.472 477 S N -0.577 115.334 115.700 0.353 0.000 2.558 477 S HA 0.170 4.640 4.470 -0.000 0.000 0.217 477 S C 0.141 174.937 174.600 0.326 0.000 0.975 477 S CA 0.230 58.590 58.200 0.268 0.000 0.912 477 S CB -0.765 62.533 63.200 0.164 0.000 0.776 477 S HN 0.450 nan 8.310 nan 0.000 0.526 478 V N -2.310 117.798 119.914 0.323 0.000 2.667 478 V HA 0.574 4.693 4.120 -0.000 0.000 0.308 478 V C -2.235 173.808 176.094 -0.085 0.000 1.048 478 V CA -2.404 59.988 62.300 0.152 0.000 0.928 478 V CB 1.315 33.172 31.823 0.057 0.000 1.004 478 V HN -0.133 nan 8.190 nan 0.000 0.444 479 P HA -0.087 nan 4.420 nan 0.000 0.216 479 P C 0.412 177.409 177.300 -0.505 0.000 1.150 479 P CA 1.349 63.961 63.100 -0.814 0.000 0.837 479 P CB 0.149 31.622 31.700 -0.379 0.000 0.786 480 N N -1.489 117.060 118.700 -0.252 0.000 2.851 480 N HA 0.165 4.905 4.740 -0.000 0.000 0.248 480 N C -2.189 173.232 175.510 -0.148 0.000 1.221 480 N CA -1.917 51.028 53.050 -0.175 0.000 0.847 480 N CB 0.740 39.155 38.487 -0.119 0.000 1.150 480 N HN -0.133 nan 8.380 nan 0.000 0.507 481 P HA -0.011 nan 4.420 nan 0.000 0.221 481 P C 1.229 178.447 177.300 -0.137 0.000 1.145 481 P CA 0.810 63.743 63.100 -0.278 0.000 0.795 481 P CB 0.346 31.552 31.700 -0.823 0.000 0.775 482 G N 0.608 109.371 108.800 -0.062 0.000 2.496 482 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 482 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 482 G C 1.514 176.413 174.900 -0.002 0.000 1.234 482 G CA 0.726 45.892 45.100 0.110 0.000 0.807 482 G HN 0.287 nan 8.290 nan 0.000 0.543 483 A N 0.528 123.323 122.820 -0.042 0.000 2.259 483 A HA 0.560 4.880 4.320 -0.000 0.000 0.212 483 A C 1.532 179.055 177.584 -0.102 0.000 1.178 483 A CA 1.218 53.217 52.037 -0.064 0.000 0.734 483 A CB -0.697 18.272 19.000 -0.052 0.000 0.774 483 A HN 0.824 nan 8.150 nan 0.000 0.481 484 A N -0.335 122.405 122.820 -0.134 0.000 2.296 484 A HA 0.365 4.685 4.320 -0.000 0.000 0.264 484 A C 1.034 178.487 177.584 -0.219 0.000 1.097 484 A CA 0.381 52.328 52.037 -0.150 0.000 0.811 484 A CB 0.050 18.966 19.000 -0.139 0.000 1.072 484 A HN 0.413 nan 8.150 nan 0.000 0.495 485 D N -0.562 119.734 120.400 -0.174 0.000 2.088 485 D HA -0.116 4.524 4.640 -0.000 0.000 0.191 485 D C 0.105 176.232 176.300 -0.288 0.000 0.992 485 D CA 1.967 55.857 54.000 -0.183 0.000 0.831 485 D CB 0.192 40.926 40.800 -0.109 0.000 0.973 485 D HN 0.528 nan 8.370 nan 0.000 0.447 486 D N -1.546 118.689 120.400 -0.275 0.000 2.964 486 D HA 0.028 4.668 4.640 -0.000 0.000 0.234 486 D C -0.773 175.388 176.300 -0.232 0.000 1.223 486 D CA -0.618 53.188 54.000 -0.324 0.000 0.889 486 D CB 0.736 41.458 40.800 -0.131 0.000 1.609 486 D HN -0.009 nan 8.370 nan 0.000 0.523 487 F N 4.123 124.075 119.950 0.004 0.000 2.532 487 F HA 0.067 4.594 4.527 -0.000 0.000 0.376 487 F C 1.111 176.989 175.800 0.130 0.000 1.162 487 F CA 0.104 58.121 58.000 0.028 0.000 1.382 487 F CB -0.254 38.753 39.000 0.012 0.000 1.670 487 F HN 0.280 nan 8.300 nan 0.000 0.638 488 L N -0.277 121.092 121.223 0.243 0.000 2.033 488 L HA 0.004 4.344 4.340 -0.000 0.000 0.115 488 L C 1.892 178.878 176.870 0.193 0.000 1.480 488 L CA 1.059 56.046 54.840 0.246 0.000 1.036 488 L CB -0.650 41.518 42.059 0.182 0.000 2.060 488 L HN 0.125 nan 8.230 nan 0.000 0.464 489 S N -0.078 115.694 115.700 0.119 0.000 2.672 489 S HA -0.073 4.397 4.470 -0.000 0.000 0.250 489 S C 0.993 175.652 174.600 0.099 0.000 0.975 489 S CA 1.130 59.383 58.200 0.087 0.000 0.971 489 S CB -0.664 62.565 63.200 0.049 0.000 0.765 489 S HN 0.287 nan 8.310 nan 0.000 0.543 490 V N 0.324 120.332 119.914 0.157 0.000 3.199 490 V HA 0.434 4.554 4.120 -0.000 0.000 0.331 490 V C -0.146 176.134 176.094 0.311 0.000 1.446 490 V CA -0.642 61.771 62.300 0.189 0.000 1.120 490 V CB 0.000 31.914 31.823 0.152 0.000 1.051 490 V HN 0.494 nan 8.190 nan 0.000 0.495 491 I N 1.705 122.441 120.570 0.278 0.000 2.720 491 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 491 I C 0.691 176.830 176.117 0.037 0.000 1.090 491 I CA 0.101 61.500 61.300 0.164 0.000 1.384 491 I CB 0.387 38.430 38.000 0.071 0.000 1.420 491 I HN 0.169 nan 8.210 nan 0.000 0.575 492 N N 6.623 125.285 118.700 -0.063 0.000 2.405 492 N HA 0.091 4.831 4.740 -0.000 0.000 0.260 492 N C -1.830 173.639 175.510 -0.067 0.000 1.152 492 N CA -1.365 51.660 53.050 -0.041 0.000 0.948 492 N CB 1.310 39.759 38.487 -0.063 0.000 1.111 492 N HN 0.282 nan 8.380 nan 0.000 0.485 493 P HA -0.109 nan 4.420 nan 0.000 0.216 493 P C -0.400 176.859 177.300 -0.069 0.000 1.154 493 P CA 1.414 64.476 63.100 -0.063 0.000 0.865 493 P CB 0.311 31.987 31.700 -0.039 0.000 0.789 494 E N -1.400 118.767 120.200 -0.054 0.000 2.674 494 E HA 0.106 4.455 4.350 -0.000 0.000 0.240 494 E C 0.798 177.366 176.600 -0.053 0.000 1.213 494 E CA -0.064 56.303 56.400 -0.055 0.000 1.357 494 E CB -0.877 28.797 29.700 -0.044 0.000 1.467 494 E HN 0.165 nan 8.360 nan 0.000 0.448 495 S N -0.147 115.519 115.700 -0.057 0.000 2.522 495 S HA 0.079 4.549 4.470 -0.000 0.000 0.227 495 S C 0.538 175.140 174.600 0.005 0.000 0.986 495 S CA -0.203 57.978 58.200 -0.032 0.000 0.929 495 S CB 0.142 63.307 63.200 -0.058 0.000 0.769 495 S HN 0.241 nan 8.310 nan 0.000 0.529 496 L N 0.358 121.546 121.223 -0.059 0.000 2.526 496 L HA 0.727 5.066 4.340 -0.000 0.000 0.263 496 L C -1.594 175.182 176.870 -0.157 0.000 0.943 496 L CA -0.716 54.026 54.840 -0.163 0.000 0.859 496 L CB 2.260 44.232 42.059 -0.145 0.000 1.313 496 L HN -0.023 nan 8.230 nan 0.000 0.406 497 V N 6.708 126.507 119.914 -0.191 0.000 2.488 497 V HA 0.575 4.694 4.120 -0.000 0.000 0.293 497 V C -0.663 175.342 176.094 -0.148 0.000 1.027 497 V CA -0.291 61.929 62.300 -0.134 0.000 0.862 497 V CB 1.531 33.299 31.823 -0.091 0.000 1.008 497 V HN 0.690 nan 8.190 nan 0.000 0.428 498 I N 7.148 127.637 120.570 -0.135 0.000 2.352 498 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 498 I C 0.169 176.225 176.117 -0.100 0.000 1.036 498 I CA -0.068 61.158 61.300 -0.124 0.000 1.336 498 I CB 0.790 38.717 38.000 -0.122 0.000 1.407 498 I HN 0.488 nan 8.210 nan 0.000 0.497 499 K N 5.963 126.307 120.400 -0.092 0.000 2.427 499 K HA 0.321 4.640 4.320 -0.000 0.000 0.252 499 K C -1.059 175.462 176.600 -0.132 0.000 0.931 499 K CA -0.999 55.227 56.287 -0.102 0.000 0.793 499 K CB 2.153 34.602 32.500 -0.084 0.000 1.211 499 K HN 0.445 nan 8.250 nan 0.000 0.426 500 Q N 1.540 121.230 119.800 -0.183 0.000 2.295 500 Q HA 0.433 4.773 4.340 -0.000 0.000 0.259 500 Q C -0.182 175.579 176.000 -0.399 0.000 0.976 500 Q CA -0.539 55.099 55.803 -0.274 0.000 0.923 500 Q CB 1.453 30.013 28.738 -0.296 0.000 1.185 500 Q HN 0.737 nan 8.270 nan 0.000 0.410 501 G N 1.714 110.252 108.800 -0.437 0.000 2.730 501 G HA2 0.670 4.630 3.960 -0.000 0.000 0.289 501 G HA3 0.670 4.630 3.960 -0.000 0.000 0.289 501 G C -1.549 172.941 174.900 -0.683 0.000 1.341 501 G CA -0.686 44.108 45.100 -0.511 0.000 0.932 501 G HN 0.394 nan 8.290 nan 0.000 0.481 502 F N 0.382 120.114 119.950 -0.364 0.000 2.436 502 F HA 0.746 5.273 4.527 -0.000 0.000 0.340 502 F C 0.702 176.321 175.800 -0.302 0.000 1.113 502 F CA -0.516 57.273 58.000 -0.352 0.000 1.022 502 F CB 2.169 40.844 39.000 -0.541 0.000 1.128 502 F HN 0.642 nan 8.300 nan 0.000 0.466 503 A N 2.313 125.088 122.820 -0.075 0.000 2.435 503 A HA 0.684 5.003 4.320 -0.000 0.000 0.296 503 A C -0.731 176.737 177.584 -0.193 0.000 1.147 503 A CA -0.858 51.015 52.037 -0.273 0.000 0.775 503 A CB 1.047 19.763 19.000 -0.474 0.000 1.340 503 A HN 0.748 nan 8.150 nan 0.000 0.427 504 E N 1.041 121.062 120.200 -0.299 0.000 2.373 504 E HA 0.264 4.614 4.350 -0.000 0.000 0.263 504 E C -1.831 174.682 176.600 -0.144 0.000 1.073 504 E CA -1.329 54.947 56.400 -0.207 0.000 0.894 504 E CB 0.708 30.243 29.700 -0.274 0.000 1.008 504 E HN 0.325 nan 8.360 nan 0.000 0.420 505 P HA -0.262 nan 4.420 nan 0.000 0.217 505 P C 1.514 178.794 177.300 -0.034 0.000 1.148 505 P CA 1.379 64.469 63.100 -0.017 0.000 0.828 505 P CB 0.098 31.816 31.700 0.030 0.000 0.783 506 S N -0.607 115.055 115.700 -0.063 0.000 2.407 506 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 506 S C 1.457 176.014 174.600 -0.071 0.000 1.036 506 S CA 0.756 58.926 58.200 -0.051 0.000 1.013 506 S CB -0.861 62.298 63.200 -0.069 0.000 0.820 506 S HN -0.016 nan 8.310 nan 0.000 0.476 507 L N 1.547 122.680 121.223 -0.151 0.000 2.873 507 L HA 0.257 4.596 4.340 -0.000 0.000 0.252 507 L C 1.740 178.638 176.870 0.047 0.000 1.266 507 L CA 0.918 55.673 54.840 -0.141 0.000 1.111 507 L CB -0.846 41.036 42.059 -0.294 0.000 1.440 507 L HN 0.413 nan 8.230 nan 0.000 0.427 508 K N -1.929 118.494 120.400 0.038 0.000 2.365 508 K HA 0.109 4.429 4.320 -0.000 0.000 0.195 508 K C 1.442 178.085 176.600 0.073 0.000 1.079 508 K CA 0.646 56.969 56.287 0.061 0.000 0.979 508 K CB -0.102 32.425 32.500 0.045 0.000 0.929 508 K HN 0.287 nan 8.250 nan 0.000 0.523 509 D N 0.616 121.067 120.400 0.085 0.000 2.249 509 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 509 D C 0.867 177.260 176.300 0.155 0.000 0.962 509 D CA 0.799 54.862 54.000 0.107 0.000 0.860 509 D CB -0.090 40.777 40.800 0.111 0.000 0.955 509 D HN 0.460 nan 8.370 nan 0.000 0.505 510 A N 1.907 124.851 122.820 0.208 0.000 2.568 510 A HA 0.005 4.325 4.320 -0.000 0.000 0.273 510 A C 0.763 178.492 177.584 0.242 0.000 0.978 510 A CA 0.295 52.539 52.037 0.345 0.000 0.946 510 A CB -0.212 18.954 19.000 0.276 0.000 0.842 510 A HN -0.005 nan 8.150 nan 0.000 0.484 511 V N 2.576 122.633 119.914 0.239 0.000 3.133 511 V HA 0.440 4.559 4.120 -0.000 0.000 0.305 511 V C 1.227 177.398 176.094 0.129 0.000 1.084 511 V CA -0.276 62.109 62.300 0.141 0.000 1.089 511 V CB 0.821 32.709 31.823 0.109 0.000 1.073 511 V HN 1.230 nan 8.190 nan 0.000 0.477 512 A N 1.664 124.527 122.820 0.072 0.000 2.440 512 A HA 0.533 4.852 4.320 -0.000 0.000 0.251 512 A C 1.478 179.102 177.584 0.066 0.000 1.089 512 A CA 0.494 52.559 52.037 0.047 0.000 0.779 512 A CB -0.427 18.581 19.000 0.013 0.000 1.022 512 A HN 2.152 nan 8.150 nan 0.000 0.492 513 G N 1.082 109.924 108.800 0.069 0.000 2.304 513 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 513 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 513 G C 0.523 175.490 174.900 0.111 0.000 1.014 513 G CA 0.844 45.994 45.100 0.083 0.000 0.619 513 G HN 0.991 nan 8.290 nan 0.000 0.525 514 K N 1.242 121.721 120.400 0.130 0.000 2.218 514 K HA 0.669 4.989 4.320 -0.000 0.000 0.276 514 K C 0.547 177.265 176.600 0.197 0.000 1.022 514 K CA 0.186 56.540 56.287 0.111 0.000 0.946 514 K CB 0.725 33.270 32.500 0.075 0.000 1.000 514 K HN 0.578 nan 8.250 nan 0.000 0.468 515 A N 3.085 125.970 122.820 0.108 0.000 2.299 515 A HA 0.781 5.101 4.320 -0.000 0.000 0.332 515 A C -1.298 176.372 177.584 0.143 0.000 1.131 515 A CA -0.651 51.526 52.037 0.233 0.000 0.844 515 A CB 0.486 19.586 19.000 0.166 0.000 1.251 515 A HN 0.603 nan 8.150 nan 0.000 0.486 516 F N -1.060 119.014 119.950 0.206 0.000 2.626 516 F HA 0.454 4.980 4.527 -0.000 0.000 0.311 516 F C 0.046 175.933 175.800 0.145 0.000 1.088 516 F CA -0.370 57.765 58.000 0.225 0.000 0.949 516 F CB 2.275 41.490 39.000 0.359 0.000 1.322 516 F HN 0.618 nan 8.300 nan 0.000 0.461 517 Q N 1.974 121.949 119.800 0.292 0.000 2.314 517 Q HA 0.390 4.730 4.340 -0.000 0.000 0.259 517 Q C -1.708 174.419 176.000 0.212 0.000 0.951 517 Q CA -0.525 55.230 55.803 -0.079 0.000 0.909 517 Q CB 0.688 29.261 28.738 -0.275 0.000 1.236 517 Q HN 0.441 nan 8.270 nan 0.000 0.444 518 F N 2.972 122.867 119.950 -0.093 0.000 2.375 518 F HA 0.164 4.690 4.527 -0.000 0.000 0.362 518 F C 0.521 176.184 175.800 -0.228 0.000 1.129 518 F CA -1.113 56.762 58.000 -0.208 0.000 1.154 518 F CB 0.518 39.268 39.000 -0.417 0.000 1.205 518 F HN 0.631 nan 8.300 nan 0.000 0.513 519 E N 4.222 124.383 120.200 -0.065 0.000 3.434 519 E HA -0.183 4.166 4.350 -0.000 0.000 0.248 519 E C 0.497 176.949 176.600 -0.246 0.000 0.895 519 E CA 0.841 57.159 56.400 -0.135 0.000 0.953 519 E CB -0.064 29.565 29.700 -0.117 0.000 0.893 519 E HN 0.567 nan 8.360 nan 0.000 0.570 520 R N 2.736 123.125 120.500 -0.184 0.000 3.770 520 R HA -0.225 4.115 4.340 -0.000 0.000 0.305 520 R C -0.016 176.164 176.300 -0.201 0.000 1.184 520 R CA 0.924 56.910 56.100 -0.191 0.000 0.823 520 R CB -1.122 29.055 30.300 -0.204 0.000 1.285 520 R HN 0.562 nan 8.270 nan 0.000 0.499 521 E N -1.173 118.963 120.200 -0.106 0.000 2.583 521 E HA 0.234 4.584 4.350 -0.000 0.000 0.204 521 E C 1.005 177.690 176.600 0.141 0.000 0.860 521 E CA 1.167 57.593 56.400 0.042 0.000 1.473 521 E CB 1.334 31.093 29.700 0.099 0.000 1.469 521 E HN 0.479 nan 8.360 nan 0.000 0.788 522 G N 0.131 108.982 108.800 0.086 0.000 2.320 522 G HA2 0.060 4.020 3.960 -0.000 0.000 0.274 522 G HA3 0.060 4.020 3.960 -0.000 0.000 0.274 522 G C -1.846 172.867 174.900 -0.311 0.000 1.324 522 G CA -0.962 44.063 45.100 -0.125 0.000 0.957 522 G HN -0.022 nan 8.290 nan 0.000 0.481 523 Y N -0.306 119.820 120.300 -0.290 0.000 2.341 523 Y HA 0.783 5.333 4.550 -0.000 0.000 0.337 523 Y C -0.078 175.522 175.900 -0.500 0.000 1.014 523 Y CA -0.307 57.670 58.100 -0.206 0.000 1.111 523 Y CB 1.718 40.077 38.460 -0.168 0.000 1.194 523 Y HN 0.457 nan 8.280 nan 0.000 0.462 524 F N 1.537 121.360 119.950 -0.212 0.000 2.613 524 F HA 0.707 5.234 4.527 -0.000 0.000 0.314 524 F C -0.411 175.420 175.800 0.052 0.000 1.075 524 F CA -1.436 56.441 58.000 -0.204 0.000 0.945 524 F CB 1.560 40.153 39.000 -0.678 0.000 1.310 524 F HN 0.587 nan 8.300 nan 0.000 0.467 525 C N 0.904 120.417 119.300 0.355 0.000 3.090 525 C HA 0.822 5.281 4.460 -0.000 0.000 0.305 525 C C -0.905 174.202 174.990 0.194 0.000 1.292 525 C CA -1.206 58.005 59.018 0.322 0.000 1.482 525 C CB 0.973 28.830 27.740 0.195 0.000 1.897 525 C HN 0.937 nan 8.230 nan 0.000 0.469 526 L N 2.794 124.031 121.223 0.022 0.000 2.455 526 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 526 L C 0.520 177.327 176.870 -0.105 0.000 1.174 526 L CA 1.048 55.722 54.840 -0.277 0.000 0.869 526 L CB 0.099 42.010 42.059 -0.247 0.000 1.130 526 L HN 0.852 nan 8.230 nan 0.000 0.474 527 D N 2.261 122.599 120.400 -0.104 0.000 2.371 527 D HA -0.009 4.631 4.640 -0.000 0.000 0.256 527 D C 0.974 177.239 176.300 -0.058 0.000 1.193 527 D CA 0.546 54.536 54.000 -0.017 0.000 0.881 527 D CB 1.283 42.123 40.800 0.067 0.000 1.143 527 D HN 0.769 nan 8.370 nan 0.000 0.473 528 S N 4.064 119.726 115.700 -0.064 0.000 2.423 528 S HA -0.181 4.289 4.470 -0.000 0.000 0.231 528 S C 1.716 176.243 174.600 -0.122 0.000 1.014 528 S CA 0.438 58.589 58.200 -0.082 0.000 0.965 528 S CB 0.231 63.383 63.200 -0.080 0.000 0.785 528 S HN 0.393 nan 8.310 nan 0.000 0.495 529 R N 1.304 121.685 120.500 -0.198 0.000 2.075 529 R HA 0.234 4.573 4.340 -0.000 0.000 0.220 529 R C 0.792 176.862 176.300 -0.383 0.000 1.118 529 R CA 1.016 56.906 56.100 -0.350 0.000 0.986 529 R CB -0.320 29.646 30.300 -0.557 0.000 0.884 529 R HN 0.561 nan 8.270 nan 0.000 0.439 533 A N 1.693 124.514 122.820 0.002 0.000 1.982 533 A HA 0.385 4.705 4.320 -0.000 0.000 0.217 533 A C 2.067 179.662 177.584 0.017 0.000 1.457 533 A CA 1.141 53.184 52.037 0.010 0.000 0.654 533 A CB -0.644 18.363 19.000 0.011 0.000 1.150 533 A HN 0.829 nan 8.150 nan 0.000 0.509 534 E N -0.168 120.042 120.200 0.016 0.000 2.482 534 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 534 E C -0.047 176.565 176.600 0.020 0.000 1.047 534 E CA 1.102 57.514 56.400 0.020 0.000 0.869 534 E CB 0.019 29.728 29.700 0.016 0.000 0.836 534 E HN 0.243 nan 8.360 nan 0.000 0.520 535 K N 1.217 121.626 120.400 0.015 0.000 2.865 535 K HA 0.373 4.692 4.320 -0.000 0.000 0.215 535 K C -3.009 173.595 176.600 0.008 0.000 1.120 535 K CA -2.241 54.053 56.287 0.012 0.000 1.037 535 K CB 1.438 33.938 32.500 0.000 0.000 1.233 535 K HN -0.156 nan 8.250 nan 0.000 0.577 536 P HA 0.152 nan 4.420 nan 0.000 0.275 536 P C -0.905 176.357 177.300 -0.063 0.000 1.227 536 P CA -0.560 62.507 63.100 -0.056 0.000 0.781 536 P CB 1.088 32.777 31.700 -0.019 0.000 0.906 537 V N 4.067 123.875 119.914 -0.177 0.000 2.384 537 V HA 0.395 4.515 4.120 -0.000 0.000 0.287 537 V C -0.362 175.599 176.094 -0.221 0.000 1.020 537 V CA -0.340 61.916 62.300 -0.073 0.000 0.850 537 V CB 0.437 32.276 31.823 0.026 0.000 0.987 537 V HN 0.354 nan 8.190 nan 0.000 0.436 538 F N 3.098 123.117 119.950 0.116 0.000 2.426 538 F HA 0.487 5.014 4.527 -0.000 0.000 0.348 538 F C 0.658 176.608 175.800 0.251 0.000 1.124 538 F CA -0.565 57.541 58.000 0.178 0.000 1.008 538 F CB 1.340 40.443 39.000 0.172 0.000 1.139 538 F HN 0.404 nan 8.300 nan 0.000 0.452 539 N N 2.852 121.787 118.700 0.391 0.000 2.434 539 N HA 0.179 4.919 4.740 -0.000 0.000 0.272 539 N C -0.265 175.424 175.510 0.299 0.000 1.040 539 N CA -0.486 52.801 53.050 0.396 0.000 0.956 539 N CB 1.546 40.233 38.487 0.333 0.000 1.108 539 N HN 0.559 nan 8.380 nan 0.000 0.481 540 R N 2.137 122.743 120.500 0.177 0.000 2.325 540 R HA 0.086 4.426 4.340 -0.000 0.000 0.323 540 R C 0.658 176.837 176.300 -0.202 0.000 1.177 540 R CA -0.042 55.795 56.100 -0.438 0.000 1.018 540 R CB 0.045 30.061 30.300 -0.473 0.000 1.070 540 R HN 0.524 nan 8.270 nan 0.000 0.495 541 T N 1.602 116.020 114.554 -0.227 0.000 2.555 541 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 541 T C 0.606 175.231 174.700 -0.124 0.000 1.083 541 T CA 1.394 63.422 62.100 -0.120 0.000 1.179 541 T CB 0.011 68.792 68.868 -0.145 0.000 0.863 541 T HN 0.387 nan 8.240 nan 0.000 0.412 542 V N -1.061 118.751 119.914 -0.169 0.000 3.216 542 V HA 0.712 4.831 4.120 -0.000 0.000 0.302 542 V C -0.180 175.881 176.094 -0.055 0.000 1.286 542 V CA -0.401 61.837 62.300 -0.102 0.000 1.048 542 V CB 1.809 33.554 31.823 -0.131 0.000 1.081 542 V HN 0.529 nan 8.190 nan 0.000 0.442 543 G N 1.884 110.674 108.800 -0.018 0.000 2.531 543 G HA2 0.584 4.544 3.960 -0.000 0.000 0.281 543 G HA3 0.584 4.544 3.960 -0.000 0.000 0.281 543 G C -0.994 173.973 174.900 0.111 0.000 1.382 543 G CA -0.743 44.364 45.100 0.011 0.000 1.045 543 G HN 0.640 nan 8.290 nan 0.000 0.533 544 L N -0.617 120.647 121.223 0.069 0.000 2.418 544 L HA 0.480 4.820 4.340 -0.000 0.000 0.265 544 L C 2.454 179.368 176.870 0.072 0.000 1.143 544 L CA 0.257 55.156 54.840 0.099 0.000 0.809 544 L CB 0.924 43.002 42.059 0.032 0.000 1.124 544 L HN 0.757 nan 8.230 nan 0.000 0.456 545 R N 1.429 121.975 120.500 0.077 0.000 2.115 545 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 545 R C 0.667 176.990 176.300 0.038 0.000 1.111 545 R CA 1.301 57.430 56.100 0.050 0.000 0.976 545 R CB -1.421 28.907 30.300 0.046 0.000 0.870 545 R HN 0.803 nan 8.270 nan 0.000 0.445 546 D N 0.000 120.421 120.400 0.036 0.000 6.856 546 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 546 D CA 0.000 54.016 54.000 0.026 0.000 0.868 546 D CB 0.000 40.812 40.800 0.019 0.000 0.688 546 D HN 0.000 nan 8.370 nan 0.000 0.683