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 1tk0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGIFKK DATA SEQUENCE PXXXXXXEGR EPCELDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVESSXXX XXXQQVKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.384 176.300 0.139 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 I N 1.583 122.180 120.570 0.046 0.000 2.892 2 I HA 0.904 5.074 4.170 0.001 0.000 0.306 2 I C -1.490 174.628 176.117 0.001 0.000 1.078 2 I CA -1.061 60.239 61.300 -0.000 0.000 1.032 2 I CB 2.387 40.340 38.000 -0.078 0.000 1.229 2 I HN 0.421 nan 8.210 nan 0.000 0.435 3 V N 2.949 122.875 119.914 0.020 0.000 2.487 3 V HA 0.634 4.755 4.120 0.001 0.000 0.298 3 V C -0.100 175.999 176.094 0.007 0.000 1.028 3 V CA -0.186 62.124 62.300 0.017 0.000 0.860 3 V CB 1.272 33.148 31.823 0.087 0.000 0.991 3 V HN 0.901 nan 8.190 nan 0.000 0.427 4 S N 2.755 118.395 115.700 -0.101 0.000 2.697 4 S HA 0.823 5.293 4.470 0.001 0.000 0.289 4 S C -1.968 172.811 174.600 0.298 0.000 1.149 4 S CA -0.471 57.767 58.200 0.063 0.000 0.850 4 S CB 2.152 65.343 63.200 -0.015 0.000 1.151 4 S HN 0.972 nan 8.310 nan 0.000 0.491 5 D N 0.045 120.733 120.400 0.481 0.000 2.706 5 D HA 0.465 5.105 4.640 0.001 0.000 0.227 5 D C -1.184 175.325 176.300 0.349 0.000 1.233 5 D CA -0.479 53.817 54.000 0.492 0.000 0.768 5 D CB 1.065 42.063 40.800 0.330 0.000 1.490 5 D HN 0.685 nan 8.370 nan 0.000 0.458 6 I N -1.158 119.572 120.570 0.268 0.000 2.957 6 I HA 0.769 4.939 4.170 0.001 0.000 0.310 6 I C -1.072 175.047 176.117 0.003 0.000 1.063 6 I CA -0.670 60.666 61.300 0.060 0.000 1.033 6 I CB 2.326 40.383 38.000 0.094 0.000 1.230 6 I HN 0.112 nan 8.210 nan 0.000 0.447 7 E N 3.112 123.214 120.200 -0.164 0.000 2.199 7 E HA 0.713 5.063 4.350 0.001 0.000 0.265 7 E C -0.995 175.503 176.600 -0.171 0.000 0.882 7 E CA -0.663 55.696 56.400 -0.069 0.000 0.759 7 E CB 2.206 31.945 29.700 0.065 0.000 1.148 7 E HN 0.863 nan 8.360 nan 0.000 0.412 8 A N 2.483 125.235 122.820 -0.114 0.000 2.437 8 A HA 0.424 4.744 4.320 0.001 0.000 0.288 8 A C 0.570 178.074 177.584 -0.134 0.000 1.201 8 A CA -0.688 51.212 52.037 -0.230 0.000 0.795 8 A CB 0.779 19.699 19.000 -0.134 0.000 1.359 8 A HN 0.585 nan 8.150 nan 0.000 0.435 9 N N -0.189 118.361 118.700 -0.249 0.000 2.461 9 N HA 0.381 5.121 4.740 0.001 0.000 0.188 9 N C 0.017 175.563 175.510 0.061 0.000 1.134 9 N CA 0.977 54.066 53.050 0.065 0.000 0.878 9 N CB 0.193 38.710 38.487 0.051 0.000 0.972 9 N HN 1.242 nan 8.380 nan 0.000 0.456 10 A N -0.538 122.232 122.820 -0.084 0.000 2.456 10 A HA 0.458 4.778 4.320 0.001 0.000 0.294 10 A C -1.074 176.449 177.584 -0.101 0.000 1.057 10 A CA -0.884 51.091 52.037 -0.103 0.000 0.623 10 A CB -0.063 18.926 19.000 -0.019 0.000 1.338 10 A HN 0.082 nan 8.150 nan 0.000 0.464 11 L N 0.726 121.886 121.223 -0.105 0.000 2.476 11 L HA 0.111 4.451 4.340 0.001 0.000 0.264 11 L C 1.918 178.838 176.870 0.083 0.000 1.224 11 L CA -0.306 54.512 54.840 -0.036 0.000 0.821 11 L CB 0.128 42.133 42.059 -0.090 0.000 1.101 11 L HN 0.898 nan 8.230 nan 0.000 0.488 12 L N 1.288 122.616 121.223 0.175 0.000 2.021 12 L HA -0.260 4.081 4.340 0.001 0.000 0.215 12 L C 2.273 179.111 176.870 -0.053 0.000 1.074 12 L CA 1.946 56.798 54.840 0.021 0.000 0.760 12 L CB -0.526 41.523 42.059 -0.016 0.000 0.889 12 L HN 0.636 nan 8.230 nan 0.000 0.433 13 E N -0.433 119.729 120.200 -0.063 0.000 2.171 13 E HA -0.180 4.171 4.350 0.001 0.000 0.197 13 E C 1.619 178.174 176.600 -0.075 0.000 0.997 13 E CA 1.589 57.931 56.400 -0.097 0.000 0.810 13 E CB -0.264 29.369 29.700 -0.111 0.000 0.738 13 E HN 0.716 nan 8.360 nan 0.000 0.467 14 S N -1.067 114.599 115.700 -0.056 0.000 2.937 14 S HA 0.220 4.690 4.470 0.001 0.000 0.252 14 S C 0.114 174.687 174.600 -0.045 0.000 1.022 14 S CA -0.653 57.518 58.200 -0.048 0.000 1.079 14 S CB 0.203 63.379 63.200 -0.040 0.000 1.035 14 S HN 0.056 nan 8.310 nan 0.000 0.594 15 V N 3.482 123.366 119.914 -0.050 0.000 2.655 15 V HA 0.384 4.504 4.120 0.001 0.000 0.300 15 V C 1.215 177.264 176.094 -0.075 0.000 1.044 15 V CA 1.517 63.780 62.300 -0.062 0.000 1.095 15 V CB 1.204 32.984 31.823 -0.071 0.000 0.952 15 V HN 0.762 nan 8.190 nan 0.000 0.485 16 T N 2.411 116.915 114.554 -0.083 0.000 3.009 16 T HA 0.383 4.733 4.350 0.001 0.000 0.267 16 T C 0.254 174.889 174.700 -0.109 0.000 0.942 16 T CA -0.266 61.788 62.100 -0.077 0.000 0.883 16 T CB 0.128 68.964 68.868 -0.053 0.000 1.192 16 T HN 0.555 nan 8.240 nan 0.000 0.524 17 K N 0.933 121.228 120.400 -0.175 0.000 2.443 17 K HA 0.562 4.882 4.320 0.001 0.000 0.252 17 K C -1.951 174.400 176.600 -0.415 0.000 0.933 17 K CA -0.830 55.301 56.287 -0.261 0.000 0.792 17 K CB 2.439 34.790 32.500 -0.248 0.000 1.185 17 K HN 0.197 nan 8.250 nan 0.000 0.425 18 F N 3.730 123.313 119.950 -0.610 0.000 2.424 18 F HA 0.222 4.749 4.527 0.001 0.000 0.356 18 F C 0.828 176.348 175.800 -0.466 0.000 1.110 18 F CA 0.127 57.708 58.000 -0.697 0.000 1.161 18 F CB 0.501 38.685 39.000 -1.360 0.000 1.115 18 F HN 0.652 nan 8.300 nan 0.000 0.507 19 H N 4.924 123.588 119.070 -0.677 0.000 2.361 19 H HA 0.186 4.742 4.556 0.001 0.000 0.308 19 H C 0.518 175.379 175.328 -0.778 0.000 1.053 19 H CA 1.208 56.996 56.048 -0.433 0.000 1.377 19 H CB 0.118 29.845 29.762 -0.058 0.000 1.434 19 H HN 0.674 nan 8.280 nan 0.000 0.548 20 C N -2.038 116.653 119.300 -1.016 0.000 3.259 20 C HA 0.829 5.290 4.460 0.001 0.000 0.344 20 C C 0.162 174.698 174.990 -0.757 0.000 1.401 20 C CA -0.364 58.179 59.018 -0.791 0.000 1.219 20 C CB 1.532 29.140 27.740 -0.220 0.000 1.521 20 C HN 0.569 nan 8.230 nan 0.000 0.455 21 G N -0.457 108.242 108.800 -0.170 0.000 2.677 21 G HA2 0.745 4.706 3.960 0.001 0.000 0.291 21 G HA3 0.745 4.706 3.960 0.001 0.000 0.291 21 G C -2.059 173.004 174.900 0.273 0.000 1.435 21 G CA -0.502 44.550 45.100 -0.080 0.000 0.826 21 G HN 1.481 nan 8.290 nan 0.000 0.491 22 V N 0.781 120.904 119.914 0.348 0.000 2.841 22 V HA 0.608 4.728 4.120 0.001 0.000 0.310 22 V C -0.631 175.751 176.094 0.481 0.000 1.090 22 V CA -0.596 61.968 62.300 0.440 0.000 0.930 22 V CB 1.926 33.944 31.823 0.325 0.000 1.014 22 V HN 0.680 nan 8.190 nan 0.000 0.425 23 I N 3.956 124.815 120.570 0.482 0.000 2.466 23 I HA 0.418 4.588 4.170 0.001 0.000 0.289 23 I C -1.583 174.628 176.117 0.157 0.000 1.026 23 I CA -0.747 60.741 61.300 0.313 0.000 1.078 23 I CB 2.055 40.238 38.000 0.305 0.000 1.249 23 I HN 0.680 nan 8.210 nan 0.000 0.429 24 Y N 6.140 126.373 120.300 -0.111 0.000 2.328 24 Y HA 0.408 4.959 4.550 0.001 0.000 0.337 24 Y C -0.745 174.949 175.900 -0.343 0.000 0.966 24 Y CA -0.553 57.283 58.100 -0.441 0.000 1.136 24 Y CB 1.033 39.048 38.460 -0.742 0.000 1.170 24 Y HN 0.453 nan 8.280 nan 0.000 0.470 25 D N 4.788 124.590 120.400 -0.997 0.000 2.303 25 D HA 0.080 4.721 4.640 0.001 0.000 0.236 25 D C 0.119 175.890 176.300 -0.881 0.000 1.068 25 D CA -0.147 53.456 54.000 -0.662 0.000 0.830 25 D CB 0.887 41.477 40.800 -0.350 0.000 1.109 25 D HN 0.721 nan 8.370 nan 0.000 0.496 26 Y N 1.565 121.603 120.300 -0.437 0.000 2.274 26 Y HA -0.207 4.343 4.550 0.001 0.000 0.290 26 Y C 2.596 178.389 175.900 -0.179 0.000 1.145 26 Y CA 1.535 59.494 58.100 -0.234 0.000 1.203 26 Y CB 0.019 38.446 38.460 -0.055 0.000 0.984 26 Y HN 0.437 nan 8.280 nan 0.000 0.533 27 S N -1.927 113.752 115.700 -0.035 0.000 2.461 27 S HA -0.110 4.360 4.470 0.001 0.000 0.228 27 S C 1.757 176.313 174.600 -0.074 0.000 1.005 27 S CA 1.213 59.393 58.200 -0.034 0.000 0.942 27 S CB -0.766 62.415 63.200 -0.033 0.000 0.776 27 S HN 0.520 nan 8.310 nan 0.000 0.514 28 T N -2.867 111.596 114.554 -0.152 0.000 2.990 28 T HA 0.631 4.981 4.350 0.001 0.000 0.250 28 T C 1.132 175.732 174.700 -0.167 0.000 1.041 28 T CA 0.510 62.528 62.100 -0.138 0.000 1.010 28 T CB -0.144 68.638 68.868 -0.143 0.000 1.003 28 T HN 1.288 nan 8.240 nan 0.000 0.499 29 A N 0.486 123.122 122.820 -0.306 0.000 2.872 29 A HA -0.156 4.164 4.320 0.001 0.000 0.273 29 A C 0.086 177.548 177.584 -0.203 0.000 1.442 29 A CA 1.238 53.118 52.037 -0.262 0.000 0.801 29 A CB -2.401 16.592 19.000 -0.012 0.000 1.031 29 A HN 0.737 nan 8.150 nan 0.000 0.582 30 E N -1.908 118.053 120.200 -0.397 0.000 2.343 30 E HA 0.649 4.999 4.350 0.001 0.000 0.270 30 E C -1.108 175.369 176.600 -0.206 0.000 0.895 30 E CA -0.828 55.484 56.400 -0.147 0.000 0.767 30 E CB 1.234 30.904 29.700 -0.050 0.000 1.248 30 E HN 0.367 nan 8.360 nan 0.000 0.440 31 Y N 0.299 120.645 120.300 0.076 0.000 2.323 31 Y HA 0.432 4.982 4.550 0.001 0.000 0.331 31 Y C -0.183 175.744 175.900 0.045 0.000 1.092 31 Y CA -0.572 57.595 58.100 0.111 0.000 1.150 31 Y CB 1.400 39.941 38.460 0.135 0.000 1.200 31 Y HN 0.121 nan 8.280 nan 0.000 0.472 32 V N 2.578 122.614 119.914 0.203 0.000 2.577 32 V HA 0.401 4.521 4.120 0.001 0.000 0.303 32 V C -0.568 175.545 176.094 0.032 0.000 1.042 32 V CA -0.898 61.428 62.300 0.042 0.000 0.872 32 V CB 1.932 33.733 31.823 -0.037 0.000 0.998 32 V HN 0.792 nan 8.190 nan 0.000 0.423 33 S N 3.590 119.234 115.700 -0.093 0.000 2.525 33 S HA 0.764 5.234 4.470 0.001 0.000 0.290 33 S C -1.273 173.185 174.600 -0.236 0.000 1.152 33 S CA -0.351 57.843 58.200 -0.009 0.000 1.072 33 S CB 0.860 64.092 63.200 0.052 0.000 1.027 33 S HN 0.542 nan 8.310 nan 0.000 0.500 34 Y N 1.323 121.712 120.300 0.147 0.000 2.331 34 Y HA 0.481 5.031 4.550 0.001 0.000 0.334 34 Y C 0.713 176.648 175.900 0.060 0.000 0.960 34 Y CA -0.852 57.343 58.100 0.157 0.000 1.130 34 Y CB 1.079 39.711 38.460 0.287 0.000 1.164 34 Y HN 0.466 nan 8.280 nan 0.000 0.458 35 R N 3.615 124.160 120.500 0.076 0.000 2.527 35 R HA 0.325 4.665 4.340 0.001 0.000 0.243 35 R C -1.520 174.710 176.300 -0.117 0.000 1.206 35 R CA -1.872 54.069 56.100 -0.265 0.000 1.134 35 R CB 0.158 30.260 30.300 -0.329 0.000 1.347 35 R HN 0.323 nan 8.270 nan 0.000 0.580 36 P HA -0.222 nan 4.420 nan 0.000 0.216 36 P C 0.824 178.195 177.300 0.119 0.000 1.154 36 P CA 1.807 64.893 63.100 -0.023 0.000 0.865 36 P CB -0.014 31.641 31.700 -0.074 0.000 0.789 37 S N -1.948 113.794 115.700 0.070 0.000 2.607 37 S HA -0.002 4.468 4.470 0.001 0.000 0.224 37 S C 1.171 175.851 174.600 0.134 0.000 0.969 37 S CA 0.320 58.580 58.200 0.099 0.000 0.927 37 S CB -0.695 62.546 63.200 0.068 0.000 0.772 37 S HN 0.058 nan 8.310 nan 0.000 0.533 38 D N 0.367 120.883 120.400 0.193 0.000 2.369 38 D HA 0.203 4.843 4.640 0.001 0.000 0.211 38 D C 0.965 177.430 176.300 0.275 0.000 1.077 38 D CA -0.188 53.967 54.000 0.257 0.000 0.842 38 D CB -0.192 40.817 40.800 0.349 0.000 0.947 38 D HN 0.303 nan 8.370 nan 0.000 0.509 39 F N 2.702 122.632 119.950 -0.034 0.000 2.063 39 F HA -0.210 4.317 4.527 0.001 0.000 0.298 39 F C 2.239 177.844 175.800 -0.324 0.000 1.109 39 F CA 1.945 59.689 58.000 -0.427 0.000 1.212 39 F CB -0.809 37.907 39.000 -0.473 0.000 0.973 39 F HN 0.038 nan 8.300 nan 0.000 0.480 40 G N -0.729 107.909 108.800 -0.270 0.000 2.440 40 G HA2 -0.203 3.758 3.960 0.001 0.000 0.218 40 G HA3 -0.203 3.758 3.960 0.001 0.000 0.218 40 G C 1.846 176.605 174.900 -0.236 0.000 1.154 40 G CA 1.175 46.060 45.100 -0.358 0.000 0.767 40 G HN 0.676 nan 8.290 nan 0.000 0.552 41 A N -0.130 122.654 122.820 -0.061 0.000 1.930 41 A HA -0.013 4.308 4.320 0.001 0.000 0.217 41 A C 2.186 179.714 177.584 -0.094 0.000 1.175 41 A CA 1.693 53.748 52.037 0.031 0.000 0.627 41 A CB -0.641 18.498 19.000 0.231 0.000 0.815 41 A HN 0.486 nan 8.150 nan 0.000 0.443 42 Y N 0.704 120.768 120.300 -0.393 0.000 2.145 42 Y HA -0.189 4.361 4.550 0.001 0.000 0.286 42 Y C 1.933 177.535 175.900 -0.498 0.000 1.145 42 Y CA 1.940 59.558 58.100 -0.803 0.000 1.148 42 Y CB -0.395 37.684 38.460 -0.635 0.000 0.981 42 Y HN 0.214 nan 8.280 nan 0.000 0.507 43 L N -0.159 120.716 121.223 -0.581 0.000 2.083 43 L HA -0.233 4.107 4.340 0.001 0.000 0.209 43 L C 2.126 178.826 176.870 -0.284 0.000 1.083 43 L CA 1.477 55.933 54.840 -0.640 0.000 0.752 43 L CB -0.677 40.839 42.059 -0.905 0.000 0.899 43 L HN 0.206 nan 8.230 nan 0.000 0.433 44 D N 0.414 120.668 120.400 -0.243 0.000 2.104 44 D HA -0.177 4.463 4.640 0.001 0.000 0.194 44 D C 2.256 178.486 176.300 -0.116 0.000 0.994 44 D CA 1.604 55.531 54.000 -0.123 0.000 0.830 44 D CB -0.073 40.675 40.800 -0.086 0.000 0.959 44 D HN 0.317 nan 8.370 nan 0.000 0.452 45 A N 0.643 123.355 122.820 -0.181 0.000 1.933 45 A HA -0.125 4.196 4.320 0.001 0.000 0.218 45 A C 2.412 179.893 177.584 -0.172 0.000 1.175 45 A CA 0.913 52.858 52.037 -0.153 0.000 0.628 45 A CB -0.679 18.226 19.000 -0.159 0.000 0.814 45 A HN 0.205 nan 8.150 nan 0.000 0.444 46 L N -0.881 120.194 121.223 -0.247 0.000 2.027 46 L HA -0.178 4.162 4.340 0.001 0.000 0.206 46 L C 2.572 179.419 176.870 -0.038 0.000 1.074 46 L CA 1.636 56.399 54.840 -0.129 0.000 0.745 46 L CB -0.755 41.284 42.059 -0.033 0.000 0.898 46 L HN 0.457 nan 8.230 nan 0.000 0.433 47 E N 0.349 120.552 120.200 0.006 0.000 2.153 47 E HA -0.205 4.145 4.350 0.001 0.000 0.194 47 E C 2.271 178.845 176.600 -0.043 0.000 0.988 47 E CA 1.045 57.428 56.400 -0.029 0.000 0.811 47 E CB -0.134 29.566 29.700 0.000 0.000 0.746 47 E HN 0.493 nan 8.360 nan 0.000 0.466 48 A N 1.487 124.281 122.820 -0.043 0.000 1.902 48 A HA -0.245 4.075 4.320 0.001 0.000 0.217 48 A C 2.082 179.646 177.584 -0.034 0.000 1.181 48 A CA 1.719 53.734 52.037 -0.036 0.000 0.623 48 A CB -0.359 18.620 19.000 -0.035 0.000 0.818 48 A HN 0.140 nan 8.150 nan 0.000 0.443 49 E N -0.084 120.090 120.200 -0.043 0.000 2.153 49 E HA -0.101 4.250 4.350 0.001 0.000 0.194 49 E C 1.726 178.311 176.600 -0.026 0.000 0.988 49 E CA 1.414 57.792 56.400 -0.037 0.000 0.811 49 E CB -0.355 29.313 29.700 -0.053 0.000 0.746 49 E HN 0.253 nan 8.360 nan 0.000 0.466 50 V N 0.549 120.439 119.914 -0.040 0.000 2.427 50 V HA -0.183 3.938 4.120 0.001 0.000 0.248 50 V C 2.299 178.382 176.094 -0.018 0.000 1.051 50 V CA 1.642 63.914 62.300 -0.047 0.000 1.048 50 V CB -0.752 31.016 31.823 -0.090 0.000 0.666 50 V HN 0.444 nan 8.190 nan 0.000 0.456 51 A N -0.301 122.507 122.820 -0.020 0.000 2.015 51 A HA -0.161 4.160 4.320 0.001 0.000 0.219 51 A C 2.277 179.867 177.584 0.010 0.000 1.163 51 A CA 1.257 53.289 52.037 -0.008 0.000 0.646 51 A CB -0.435 18.555 19.000 -0.016 0.000 0.806 51 A HN 0.487 nan 8.150 nan 0.000 0.448 52 R N -1.225 119.281 120.500 0.009 0.000 2.313 52 R HA 0.155 4.495 4.340 0.001 0.000 0.199 52 R C 1.130 177.454 176.300 0.041 0.000 0.958 52 R CA 0.506 56.614 56.100 0.013 0.000 1.047 52 R CB -0.174 30.125 30.300 -0.001 0.000 0.955 52 R HN 0.653 nan 8.270 nan 0.000 0.481 53 G N 0.296 109.149 108.800 0.088 0.000 2.176 53 G HA2 -0.256 3.705 3.960 0.001 0.000 0.252 53 G HA3 -0.256 3.705 3.960 0.001 0.000 0.252 53 G C 0.356 175.379 174.900 0.205 0.000 1.024 53 G CA 0.069 45.293 45.100 0.205 0.000 0.755 53 G HN 0.538 nan 8.290 nan 0.000 0.507 54 G N -1.288 107.574 108.800 0.104 0.000 2.509 54 G HA2 0.734 4.694 3.960 0.001 0.000 0.269 54 G HA3 0.734 4.694 3.960 0.001 0.000 0.269 54 G C -0.159 174.758 174.900 0.029 0.000 1.416 54 G CA -0.843 44.286 45.100 0.048 0.000 1.052 54 G HN 0.758 nan 8.290 nan 0.000 0.542 55 L N -0.623 120.572 121.223 -0.048 0.000 2.401 55 L HA 0.528 4.869 4.340 0.001 0.000 0.266 55 L C -0.859 175.946 176.870 -0.109 0.000 0.991 55 L CA -0.573 54.197 54.840 -0.117 0.000 0.818 55 L CB 2.592 44.488 42.059 -0.272 0.000 1.321 55 L HN 0.289 nan 8.230 nan 0.000 0.413 56 I N 2.681 123.190 120.570 -0.100 0.000 2.418 56 I HA 0.402 4.572 4.170 0.001 0.000 0.287 56 I C -0.759 175.272 176.117 -0.143 0.000 1.008 56 I CA -0.807 60.406 61.300 -0.145 0.000 1.104 56 I CB 2.064 39.998 38.000 -0.109 0.000 1.264 56 I HN 0.149 nan 8.210 nan 0.000 0.438 57 V N 6.931 126.729 119.914 -0.194 0.000 2.398 57 V HA 0.467 4.587 4.120 0.001 0.000 0.286 57 V C -0.462 175.555 176.094 -0.128 0.000 1.026 57 V CA -0.342 61.921 62.300 -0.062 0.000 0.868 57 V CB 1.210 33.041 31.823 0.013 0.000 0.982 57 V HN 0.393 nan 8.190 nan 0.000 0.443 58 F N 1.990 122.077 119.950 0.228 0.000 2.611 58 F HA 0.546 5.073 4.527 0.001 0.000 0.324 58 F C -0.055 175.898 175.800 0.255 0.000 1.061 58 F CA -0.948 57.202 58.000 0.249 0.000 0.954 58 F CB 1.707 40.865 39.000 0.263 0.000 1.301 58 F HN 0.518 nan 8.300 nan 0.000 0.482 59 H N 1.354 120.654 119.070 0.383 0.000 2.638 59 H HA 0.300 4.856 4.556 0.001 0.000 0.303 59 H C 0.070 175.535 175.328 0.228 0.000 1.034 59 H CA -0.520 55.677 56.048 0.248 0.000 1.225 59 H CB 0.400 30.274 29.762 0.187 0.000 1.394 59 H HN 0.565 nan 8.280 nan 0.000 0.477 60 N N 2.367 120.998 118.700 -0.114 0.000 2.818 60 N HA -0.152 4.588 4.740 0.001 0.000 0.250 60 N C 1.221 176.793 175.510 0.104 0.000 1.108 60 N CA 1.097 54.118 53.050 -0.048 0.000 0.745 60 N CB -1.182 37.264 38.487 -0.068 0.000 1.104 60 N HN 0.846 nan 8.380 nan 0.000 0.557 61 G N -1.227 107.693 108.800 0.201 0.000 2.421 61 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 61 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 61 G C 1.138 176.089 174.900 0.085 0.000 1.143 61 G CA 1.083 46.219 45.100 0.060 0.000 0.784 61 G HN 0.582 nan 8.290 nan 0.000 0.541 62 H N 0.571 119.667 119.070 0.044 0.000 2.352 62 H HA 0.042 4.598 4.556 0.001 0.000 0.299 62 H C 2.472 177.695 175.328 -0.175 0.000 1.097 62 H CA 1.460 57.491 56.048 -0.028 0.000 1.311 62 H CB 0.112 29.928 29.762 0.090 0.000 1.377 62 H HN 0.337 nan 8.280 nan 0.000 0.504 63 K N -1.656 118.767 120.400 0.039 0.000 2.262 63 K HA -0.017 4.303 4.320 0.001 0.000 0.200 63 K C 1.184 177.776 176.600 -0.013 0.000 1.049 63 K CA 0.572 56.848 56.287 -0.020 0.000 0.979 63 K CB 0.392 32.910 32.500 0.029 0.000 0.773 63 K HN 0.209 nan 8.250 nan 0.000 0.474 64 Y N 1.371 121.596 120.300 -0.125 0.000 2.763 64 Y HA 0.007 4.558 4.550 0.001 0.000 0.230 64 Y C 1.082 176.867 175.900 -0.192 0.000 1.030 64 Y CA 0.784 58.796 58.100 -0.147 0.000 1.462 64 Y CB -0.126 38.261 38.460 -0.123 0.000 1.299 64 Y HN -0.098 nan 8.280 nan 0.000 0.491 65 D N 0.294 120.499 120.400 -0.326 0.000 2.126 65 D HA -0.240 4.400 4.640 0.001 0.000 0.190 65 D C 2.225 178.219 176.300 -0.511 0.000 1.001 65 D CA 2.513 56.206 54.000 -0.512 0.000 0.841 65 D CB -0.597 39.768 40.800 -0.724 0.000 0.949 65 D HN 0.242 nan 8.370 nan 0.000 0.446 66 V N 0.914 120.538 119.914 -0.484 0.000 2.261 66 V HA -0.169 3.951 4.120 0.001 0.000 0.246 66 V C -0.738 175.222 176.094 -0.223 0.000 1.047 66 V CA 1.871 64.009 62.300 -0.269 0.000 1.015 66 V CB -1.384 30.309 31.823 -0.217 0.000 0.642 66 V HN 0.203 nan 8.190 nan 0.000 0.446 67 P HA -0.079 nan 4.420 nan 0.000 0.217 67 P C 1.651 178.802 177.300 -0.249 0.000 1.151 67 P CA 1.798 64.733 63.100 -0.275 0.000 0.828 67 P CB -0.150 31.366 31.700 -0.306 0.000 0.788 68 A N -0.377 122.213 122.820 -0.384 0.000 1.902 68 A HA -0.168 4.153 4.320 0.001 0.000 0.217 68 A C 2.198 179.667 177.584 -0.191 0.000 1.181 68 A CA 1.461 53.257 52.037 -0.401 0.000 0.623 68 A CB -1.686 16.831 19.000 -0.805 0.000 0.818 68 A HN 0.120 nan 8.150 nan 0.000 0.443 69 L N -0.999 120.158 121.223 -0.110 0.000 2.093 69 L HA -0.142 4.198 4.340 0.001 0.000 0.208 69 L C 2.786 179.683 176.870 0.045 0.000 1.085 69 L CA 1.659 56.513 54.840 0.022 0.000 0.755 69 L CB -0.841 41.268 42.059 0.085 0.000 0.904 69 L HN 0.329 nan 8.230 nan 0.000 0.435 70 T N -0.503 114.095 114.554 0.075 0.000 2.708 70 T HA -0.247 4.104 4.350 0.001 0.000 0.266 70 T C 1.933 176.615 174.700 -0.031 0.000 1.037 70 T CA 1.573 63.686 62.100 0.022 0.000 1.146 70 T CB -0.078 68.764 68.868 -0.044 0.000 0.865 70 T HN 0.244 nan 8.240 nan 0.000 0.435 71 K N 0.624 120.996 120.400 -0.047 0.000 2.026 71 K HA -0.002 4.318 4.320 0.001 0.000 0.208 71 K C 2.259 178.848 176.600 -0.018 0.000 1.048 71 K CA 1.119 57.379 56.287 -0.046 0.000 0.929 71 K CB -0.278 32.173 32.500 -0.081 0.000 0.713 71 K HN 0.272 nan 8.250 nan 0.000 0.439 72 L N 0.474 121.696 121.223 -0.000 0.000 2.093 72 L HA -0.126 4.214 4.340 0.001 0.000 0.208 72 L C 2.625 179.614 176.870 0.198 0.000 1.085 72 L CA 1.075 55.951 54.840 0.060 0.000 0.755 72 L CB -0.512 41.546 42.059 -0.001 0.000 0.904 72 L HN 0.302 nan 8.230 nan 0.000 0.435 73 A N 0.125 123.020 122.820 0.125 0.000 1.933 73 A HA -0.250 4.071 4.320 0.001 0.000 0.218 73 A C 2.309 179.873 177.584 -0.032 0.000 1.175 73 A CA 1.984 53.982 52.037 -0.064 0.000 0.628 73 A CB -0.348 18.511 19.000 -0.235 0.000 0.814 73 A HN 0.214 nan 8.150 nan 0.000 0.444 74 K N 0.084 120.476 120.400 -0.014 0.000 2.025 74 K HA 0.050 4.371 4.320 0.001 0.000 0.207 74 K C 1.778 178.381 176.600 0.006 0.000 1.049 74 K CA 1.395 57.677 56.287 -0.009 0.000 0.933 74 K CB -0.659 31.838 32.500 -0.005 0.000 0.714 74 K HN 0.440 nan 8.250 nan 0.000 0.438 75 L N 0.379 121.612 121.223 0.015 0.000 1.994 75 L HA -0.216 4.124 4.340 0.001 0.000 0.208 75 L C 2.612 179.499 176.870 0.029 0.000 1.071 75 L CA 1.718 56.567 54.840 0.014 0.000 0.745 75 L CB -0.405 41.655 42.059 0.002 0.000 0.892 75 L HN 0.305 nan 8.230 nan 0.000 0.431 76 Q N -0.715 119.126 119.800 0.068 0.000 2.163 76 Q HA -0.011 4.330 4.340 0.001 0.000 0.198 76 Q C 1.863 177.907 176.000 0.073 0.000 0.954 76 Q CA 0.939 56.796 55.803 0.090 0.000 0.851 76 Q CB 0.257 29.091 28.738 0.161 0.000 0.928 76 Q HN 0.491 nan 8.270 nan 0.000 0.459 77 L N -0.097 121.151 121.223 0.042 0.000 2.766 77 L HA 0.201 4.541 4.340 0.001 0.000 0.242 77 L C 0.057 176.904 176.870 -0.037 0.000 1.136 77 L CA -0.298 54.525 54.840 -0.028 0.000 0.933 77 L CB 0.267 42.243 42.059 -0.139 0.000 1.241 77 L HN 0.210 nan 8.230 nan 0.000 0.522 78 N N 1.831 120.519 118.700 -0.019 0.000 2.727 78 N HA -0.252 4.488 4.740 0.001 0.000 0.249 78 N C 0.048 175.540 175.510 -0.030 0.000 1.048 78 N CA 0.537 53.577 53.050 -0.017 0.000 0.714 78 N CB -0.509 37.972 38.487 -0.010 0.000 0.959 78 N HN 0.367 nan 8.380 nan 0.000 0.544 79 R N 0.296 120.764 120.500 -0.053 0.000 2.711 79 R HA 0.307 4.648 4.340 0.001 0.000 0.284 79 R C -0.874 175.400 176.300 -0.043 0.000 0.968 79 R CA -0.622 55.443 56.100 -0.059 0.000 0.924 79 R CB 0.838 31.068 30.300 -0.116 0.000 1.162 79 R HN 0.107 nan 8.270 nan 0.000 0.465 80 E N 3.438 123.629 120.200 -0.014 0.000 2.194 80 E HA 0.153 4.504 4.350 0.001 0.000 0.284 80 E C -1.331 175.224 176.600 -0.076 0.000 1.035 80 E CA -0.061 56.328 56.400 -0.019 0.000 0.836 80 E CB 0.886 30.650 29.700 0.107 0.000 1.070 80 E HN 0.350 nan 8.360 nan 0.000 0.401 81 F N 3.962 123.581 119.950 -0.552 0.000 2.562 81 F HA 0.273 4.800 4.527 0.001 0.000 0.319 81 F C -0.824 174.543 175.800 -0.721 0.000 1.154 81 F CA -0.538 57.186 58.000 -0.459 0.000 0.931 81 F CB 1.031 39.838 39.000 -0.322 0.000 1.198 81 F HN 0.344 nan 8.300 nan 0.000 0.444 82 H N 7.888 126.654 119.070 -0.506 0.000 2.852 82 H HA 0.258 4.814 4.556 0.001 0.000 0.274 82 H C -0.708 174.383 175.328 -0.395 0.000 1.321 82 H CA -0.549 55.301 56.048 -0.330 0.000 1.582 82 H CB 1.199 30.868 29.762 -0.155 0.000 1.699 82 H HN 0.508 nan 8.280 nan 0.000 0.546 83 L N 3.717 124.717 121.223 -0.372 0.000 2.499 83 L HA 0.096 4.436 4.340 0.001 0.000 0.273 83 L C -1.847 175.003 176.870 -0.034 0.000 1.195 83 L CA -1.405 53.308 54.840 -0.211 0.000 0.882 83 L CB -0.018 42.021 42.059 -0.032 0.000 1.133 83 L HN 0.178 nan 8.230 nan 0.000 0.483 84 P HA 0.102 nan 4.420 nan 0.000 0.275 84 P C 0.272 177.255 177.300 -0.529 0.000 1.227 84 P CA -0.514 62.420 63.100 -0.278 0.000 0.781 84 P CB 0.690 32.213 31.700 -0.294 0.000 0.906 85 R N 3.532 123.426 120.500 -1.010 0.000 2.096 85 R HA -0.202 4.138 4.340 0.001 0.000 0.240 85 R C 1.602 177.457 176.300 -0.742 0.000 1.139 85 R CA 1.943 57.057 56.100 -1.643 0.000 0.952 85 R CB -0.381 28.805 30.300 -1.857 0.000 0.854 85 R HN 0.594 nan 8.270 nan 0.000 0.436 86 E N -0.021 119.848 120.200 -0.553 0.000 2.401 86 E HA -0.179 4.171 4.350 0.001 0.000 0.199 86 E C 0.450 177.032 176.600 -0.030 0.000 1.023 86 E CA 1.384 57.617 56.400 -0.279 0.000 0.859 86 E CB -0.405 29.062 29.700 -0.389 0.000 0.780 86 E HN 0.504 nan 8.360 nan 0.000 0.523 87 N N -0.420 118.153 118.700 -0.212 0.000 2.280 87 N HA 0.094 4.835 4.740 0.001 0.000 0.192 87 N C -0.621 174.907 175.510 0.031 0.000 1.109 87 N CA 0.003 52.980 53.050 -0.122 0.000 0.855 87 N CB 0.541 38.916 38.487 -0.186 0.000 0.974 87 N HN 0.097 nan 8.380 nan 0.000 0.482 88 C N 0.767 120.157 119.300 0.149 0.000 2.411 88 C HA 0.585 5.045 4.460 0.001 0.000 0.330 88 C C 0.128 175.416 174.990 0.497 0.000 1.224 88 C CA -1.117 58.099 59.018 0.329 0.000 1.770 88 C CB 0.352 28.364 27.740 0.453 0.000 2.297 88 C HN 0.230 nan 8.230 nan 0.000 0.507 89 I N 2.109 122.907 120.570 0.379 0.000 2.608 89 I HA 0.367 4.538 4.170 0.001 0.000 0.295 89 I C -0.910 175.496 176.117 0.481 0.000 1.049 89 I CA 0.018 61.514 61.300 0.327 0.000 1.063 89 I CB 1.807 39.737 38.000 -0.116 0.000 1.248 89 I HN 0.585 nan 8.210 nan 0.000 0.424 90 D N 3.548 124.265 120.400 0.528 0.000 2.505 90 D HA 0.165 4.805 4.640 0.001 0.000 0.250 90 D C 0.921 177.341 176.300 0.200 0.000 1.164 90 D CA -0.292 53.850 54.000 0.237 0.000 0.870 90 D CB 1.865 42.583 40.800 -0.136 0.000 1.160 90 D HN 0.688 nan 8.370 nan 0.000 0.549 91 T N 1.328 116.024 114.554 0.236 0.000 2.962 91 T HA -0.164 4.186 4.350 0.001 0.000 0.270 91 T C 1.830 176.652 174.700 0.204 0.000 1.088 91 T CA 0.397 62.659 62.100 0.271 0.000 1.127 91 T CB 0.086 69.183 68.868 0.383 0.000 0.883 91 T HN 0.302 nan 8.240 nan 0.000 0.493 92 L N 1.264 122.459 121.223 -0.047 0.000 2.072 92 L HA 0.174 4.515 4.340 0.001 0.000 0.205 92 L C 2.554 179.397 176.870 -0.046 0.000 1.079 92 L CA 1.181 55.936 54.840 -0.141 0.000 0.752 92 L CB -0.692 41.106 42.059 -0.434 0.000 0.906 92 L HN 0.133 nan 8.230 nan 0.000 0.436 93 V N -0.356 119.491 119.914 -0.113 0.000 2.343 93 V HA -0.301 3.819 4.120 0.001 0.000 0.247 93 V C 2.598 178.646 176.094 -0.077 0.000 1.051 93 V CA 1.973 64.173 62.300 -0.167 0.000 1.036 93 V CB -0.574 30.977 31.823 -0.454 0.000 0.654 93 V HN 0.420 nan 8.190 nan 0.000 0.451 94 L N -0.247 120.988 121.223 0.020 0.000 2.046 94 L HA -0.168 4.172 4.340 0.001 0.000 0.208 94 L C 2.653 179.553 176.870 0.049 0.000 1.077 94 L CA 1.773 56.679 54.840 0.110 0.000 0.747 94 L CB -0.378 41.823 42.059 0.237 0.000 0.896 94 L HN 0.367 nan 8.230 nan 0.000 0.432 95 S N -0.403 115.366 115.700 0.115 0.000 2.368 95 S HA -0.190 4.281 4.470 0.001 0.000 0.225 95 S C 1.900 176.572 174.600 0.119 0.000 1.030 95 S CA 1.190 59.499 58.200 0.183 0.000 0.999 95 S CB -0.264 63.094 63.200 0.263 0.000 0.844 95 S HN 0.389 nan 8.310 nan 0.000 0.459 96 R N 0.279 120.822 120.500 0.072 0.000 2.189 96 R HA 0.042 4.383 4.340 0.001 0.000 0.223 96 R C 2.159 178.469 176.300 0.016 0.000 1.092 96 R CA 0.663 56.794 56.100 0.052 0.000 0.989 96 R CB -0.286 30.036 30.300 0.036 0.000 0.876 96 R HN 0.300 nan 8.270 nan 0.000 0.457 97 L N 0.365 121.569 121.223 -0.032 0.000 2.071 97 L HA 0.044 4.384 4.340 0.001 0.000 0.201 97 L C 1.837 178.588 176.870 -0.198 0.000 1.076 97 L CA 1.509 56.306 54.840 -0.073 0.000 0.755 97 L CB -0.219 41.790 42.059 -0.083 0.000 0.915 97 L HN 0.010 nan 8.230 nan 0.000 0.445 98 I N -0.314 120.026 120.570 -0.382 0.000 2.252 98 I HA -0.201 3.969 4.170 0.001 0.000 0.245 98 I C 0.794 176.650 176.117 -0.435 0.000 1.102 98 I CA 0.847 61.790 61.300 -0.595 0.000 1.385 98 I CB -0.377 37.200 38.000 -0.705 0.000 1.064 98 I HN 0.300 nan 8.210 nan 0.000 0.414 99 H N 0.633 119.660 119.070 -0.071 0.000 2.499 99 H HA 0.219 4.775 4.556 0.001 0.000 0.262 99 H C 1.592 176.902 175.328 -0.031 0.000 1.363 99 H CA 0.113 56.135 56.048 -0.043 0.000 1.072 99 H CB 0.224 29.980 29.762 -0.011 0.000 1.602 99 H HN 0.256 nan 8.280 nan 0.000 0.526 100 S N 0.397 116.116 115.700 0.033 0.000 2.507 100 S HA -0.159 4.312 4.470 0.001 0.000 0.235 100 S C 1.586 176.209 174.600 0.039 0.000 0.988 100 S CA 0.722 58.947 58.200 0.042 0.000 0.944 100 S CB -0.004 63.222 63.200 0.042 0.000 0.762 100 S HN 0.530 nan 8.310 nan 0.000 0.526 101 N N 1.435 120.136 118.700 0.001 0.000 2.422 101 N HA 0.110 4.851 4.740 0.001 0.000 0.181 101 N C 0.329 175.817 175.510 -0.037 0.000 1.080 101 N CA 0.069 53.086 53.050 -0.055 0.000 0.893 101 N CB -0.324 37.974 38.487 -0.315 0.000 0.973 101 N HN 0.425 nan 8.380 nan 0.000 0.456 102 L N 0.378 121.603 121.223 0.003 0.000 2.352 102 L HA 0.395 4.735 4.340 0.001 0.000 0.269 102 L C 0.604 177.493 176.870 0.031 0.000 1.034 102 L CA -0.949 53.895 54.840 0.006 0.000 0.806 102 L CB 1.192 43.248 42.059 -0.004 0.000 1.244 102 L HN -0.162 nan 8.230 nan 0.000 0.447 103 K N 1.030 121.449 120.400 0.030 0.000 2.209 103 K HA 0.503 4.824 4.320 0.001 0.000 0.238 103 K C -1.077 175.562 176.600 0.064 0.000 1.028 103 K CA -0.559 55.756 56.287 0.046 0.000 0.935 103 K CB 1.347 33.873 32.500 0.044 0.000 1.162 103 K HN 0.741 nan 8.250 nan 0.000 0.485 104 D N -3.251 117.197 120.400 0.079 0.000 2.599 104 D HA 0.073 4.713 4.640 0.001 0.000 0.252 104 D C 0.091 176.452 176.300 0.102 0.000 1.232 104 D CA -0.707 53.355 54.000 0.102 0.000 0.819 104 D CB 0.609 41.475 40.800 0.110 0.000 1.401 104 D HN 0.383 nan 8.370 nan 0.000 0.429 105 T N -3.022 111.596 114.554 0.107 0.000 3.194 105 T HA 0.127 4.477 4.350 0.001 0.000 0.251 105 T C 0.422 175.176 174.700 0.090 0.000 1.132 105 T CA 0.428 62.584 62.100 0.093 0.000 1.028 105 T CB -0.618 68.287 68.868 0.062 0.000 0.976 105 T HN 0.596 nan 8.240 nan 0.000 0.535 106 D N 1.286 121.743 120.400 0.094 0.000 2.689 106 D HA -0.207 4.433 4.640 0.001 0.000 0.237 106 D C 0.261 176.598 176.300 0.062 0.000 1.148 106 D CA 0.510 54.567 54.000 0.094 0.000 0.656 106 D CB -1.584 39.307 40.800 0.151 0.000 1.050 106 D HN 0.437 nan 8.370 nan 0.000 0.426 107 M N -1.815 117.817 119.600 0.053 0.000 2.537 107 M HA -0.168 4.312 4.480 0.001 0.000 0.205 107 M C 1.359 177.648 176.300 -0.019 0.000 0.450 107 M CA 1.639 56.953 55.300 0.023 0.000 0.553 107 M CB -2.288 30.311 32.600 -0.001 0.000 2.046 107 M HN 1.142 nan 8.290 nan 0.000 0.797 108 G N -0.933 107.859 108.800 -0.013 0.000 2.157 108 G HA2 -0.298 3.663 3.960 0.001 0.000 0.248 108 G HA3 -0.298 3.663 3.960 0.001 0.000 0.248 108 G C 0.641 175.529 174.900 -0.019 0.000 0.979 108 G CA 0.334 45.417 45.100 -0.030 0.000 0.650 108 G HN 0.531 nan 8.290 nan 0.000 0.529 109 L N -0.489 120.733 121.223 -0.002 0.000 2.418 109 L HA 0.379 4.720 4.340 0.001 0.000 0.218 109 L C 1.146 178.055 176.870 0.066 0.000 1.125 109 L CA 0.632 55.457 54.840 -0.025 0.000 0.835 109 L CB -0.001 42.020 42.059 -0.063 0.000 0.953 109 L HN 0.222 nan 8.230 nan 0.000 0.454 110 L N -0.268 121.019 121.223 0.106 0.000 2.346 110 L HA 0.404 4.744 4.340 0.001 0.000 0.276 110 L C -0.116 176.808 176.870 0.090 0.000 1.006 110 L CA -0.778 54.140 54.840 0.130 0.000 0.817 110 L CB 1.859 44.010 42.059 0.153 0.000 1.272 110 L HN -0.030 nan 8.230 nan 0.000 0.421 111 R N 0.771 121.321 120.500 0.084 0.000 2.449 111 R HA 0.039 4.379 4.340 0.001 0.000 0.296 111 R C 1.295 177.652 176.300 0.094 0.000 1.047 111 R CA 0.137 56.283 56.100 0.076 0.000 1.018 111 R CB 0.654 30.993 30.300 0.065 0.000 0.962 111 R HN 0.817 nan 8.270 nan 0.000 0.428 112 S N 2.047 117.823 115.700 0.126 0.000 2.400 112 S HA -0.149 4.321 4.470 0.001 0.000 0.232 112 S C 1.960 176.624 174.600 0.106 0.000 1.025 112 S CA 0.988 59.291 58.200 0.171 0.000 0.993 112 S CB -0.245 63.171 63.200 0.360 0.000 0.808 112 S HN 0.816 nan 8.310 nan 0.000 0.478 113 G N 1.270 110.119 108.800 0.081 0.000 2.534 113 G HA2 -0.066 3.894 3.960 0.001 0.000 0.217 113 G HA3 -0.066 3.894 3.960 0.001 0.000 0.217 113 G C 1.319 176.244 174.900 0.041 0.000 1.128 113 G CA 0.544 45.673 45.100 0.048 0.000 0.784 113 G HN 0.583 nan 8.290 nan 0.000 0.542 114 K N -0.272 120.158 120.400 0.050 0.000 2.361 114 K HA 0.216 4.536 4.320 0.001 0.000 0.196 114 K C 0.394 177.020 176.600 0.042 0.000 1.039 114 K CA -0.254 56.059 56.287 0.044 0.000 1.001 114 K CB -0.089 32.441 32.500 0.051 0.000 0.795 114 K HN 0.221 nan 8.250 nan 0.000 0.495 115 L N 3.683 124.935 121.223 0.047 0.000 2.349 115 L HA 0.283 4.624 4.340 0.001 0.000 0.275 115 L C -1.903 174.984 176.870 0.029 0.000 1.115 115 L CA -2.056 52.809 54.840 0.043 0.000 0.820 115 L CB 0.622 42.715 42.059 0.056 0.000 1.135 115 L HN 0.112 nan 8.230 nan 0.000 0.445 116 P HA 0.354 nan 4.420 nan 0.000 0.281 116 P C 0.069 177.375 177.300 0.010 0.000 1.249 116 P CA 0.124 63.235 63.100 0.018 0.000 0.810 116 P CB 1.398 33.111 31.700 0.021 0.000 1.008 125 L N 0.779 121.956 121.223 -0.076 0.000 2.386 125 L HA 0.528 4.868 4.340 0.001 0.000 0.271 125 L C 0.134 176.955 176.870 -0.081 0.000 0.993 125 L CA -0.827 53.989 54.840 -0.040 0.000 0.819 125 L CB 1.911 43.989 42.059 0.032 0.000 1.294 125 L HN 0.855 nan 8.230 nan 0.000 0.414 126 E N 1.528 121.675 120.200 -0.088 0.000 2.417 126 E HA 0.064 4.415 4.350 0.001 0.000 0.261 126 E C 0.605 177.174 176.600 -0.052 0.000 1.000 126 E CA 0.381 56.693 56.400 -0.146 0.000 0.919 126 E CB 1.786 31.360 29.700 -0.210 0.000 0.955 126 E HN 0.744 nan 8.360 nan 0.000 0.455 127 A N 5.400 128.127 122.820 -0.154 0.000 1.865 127 A HA -0.207 4.114 4.320 0.001 0.000 0.217 127 A C 1.897 179.447 177.584 -0.056 0.000 1.191 127 A CA 1.582 53.504 52.037 -0.192 0.000 0.623 127 A CB -0.905 17.822 19.000 -0.456 0.000 0.826 127 A HN 0.888 nan 8.150 nan 0.000 0.444 128 W N -0.552 120.769 121.300 0.036 0.000 2.358 128 W HA -0.012 4.648 4.660 0.001 0.000 0.303 128 W C 2.549 179.061 176.519 -0.012 0.000 1.208 128 W CA 0.525 57.879 57.345 0.015 0.000 1.274 128 W CB -0.458 29.004 29.460 0.002 0.000 1.138 128 W HN 0.425 nan 8.180 nan 0.000 0.515 129 G N -0.687 108.257 108.800 0.240 0.000 2.408 129 G HA2 -0.345 3.615 3.960 0.001 0.000 0.217 129 G HA3 -0.345 3.615 3.960 0.001 0.000 0.217 129 G C 1.128 176.113 174.900 0.142 0.000 1.150 129 G CA 1.013 46.203 45.100 0.150 0.000 0.776 129 G HN 0.340 nan 8.290 nan 0.000 0.542 130 Y N 1.446 121.780 120.300 0.057 0.000 2.145 130 Y HA -0.064 4.486 4.550 0.001 0.000 0.286 130 Y C 2.955 178.890 175.900 0.059 0.000 1.145 130 Y CA 1.680 59.805 58.100 0.042 0.000 1.148 130 Y CB -0.091 38.368 38.460 -0.001 0.000 0.981 130 Y HN -0.036 nan 8.280 nan 0.000 0.507 131 R N 0.478 121.059 120.500 0.134 0.000 2.097 131 R HA -0.204 4.136 4.340 0.001 0.000 0.236 131 R C 2.372 178.677 176.300 0.008 0.000 1.135 131 R CA 2.008 58.163 56.100 0.091 0.000 0.934 131 R CB -1.265 29.173 30.300 0.231 0.000 0.846 131 R HN 0.457 nan 8.270 nan 0.000 0.431 132 L N -0.565 120.666 121.223 0.013 0.000 2.042 132 L HA -0.150 4.190 4.340 0.001 0.000 0.210 132 L C 2.530 179.398 176.870 -0.005 0.000 1.076 132 L CA 1.628 56.455 54.840 -0.023 0.000 0.749 132 L CB -0.904 41.015 42.059 -0.234 0.000 0.893 132 L HN 0.358 nan 8.230 nan 0.000 0.432 133 G N -0.860 107.918 108.800 -0.038 0.000 2.443 133 G HA2 -0.176 3.784 3.960 0.001 0.000 0.219 133 G HA3 -0.176 3.784 3.960 0.001 0.000 0.219 133 G C 1.383 176.200 174.900 -0.138 0.000 1.131 133 G CA 0.343 45.408 45.100 -0.059 0.000 0.775 133 G HN 0.288 nan 8.290 nan 0.000 0.547 134 E N 0.078 120.139 120.200 -0.232 0.000 2.474 134 E HA 0.149 4.499 4.350 0.001 0.000 0.195 134 E C 2.314 178.883 176.600 -0.051 0.000 1.039 134 E CA -0.219 56.060 56.400 -0.201 0.000 0.881 134 E CB 0.045 29.530 29.700 -0.359 0.000 0.970 134 E HN 0.320 nan 8.360 nan 0.000 0.486 135 M N 0.539 120.141 119.600 0.003 0.000 2.108 135 M HA -0.146 4.335 4.480 0.001 0.000 0.261 135 M C 1.888 178.187 176.300 -0.000 0.000 1.066 135 M CA 1.470 56.808 55.300 0.063 0.000 1.107 135 M CB -0.709 31.962 32.600 0.119 0.000 1.356 135 M HN 0.035 nan 8.290 nan 0.000 0.406 136 K N -0.168 120.264 120.400 0.054 0.000 1.985 136 K HA -0.100 4.220 4.320 0.001 0.000 0.210 136 K C 2.162 178.830 176.600 0.114 0.000 1.047 136 K CA 1.522 57.926 56.287 0.195 0.000 0.932 136 K CB -0.710 31.886 32.500 0.161 0.000 0.716 136 K HN 0.457 nan 8.250 nan 0.000 0.439 137 G N 1.167 109.987 108.800 0.034 0.000 2.442 137 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 137 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 137 G C 1.363 176.234 174.900 -0.048 0.000 1.141 137 G CA 0.852 45.944 45.100 -0.013 0.000 0.763 137 G HN 0.382 nan 8.290 nan 0.000 0.554 138 E N -0.807 119.379 120.200 -0.023 0.000 2.106 138 E HA -0.160 4.191 4.350 0.001 0.000 0.192 138 E C 2.037 178.605 176.600 -0.053 0.000 0.984 138 E CA 0.754 57.163 56.400 0.014 0.000 0.806 138 E CB -0.226 29.548 29.700 0.123 0.000 0.750 138 E HN 0.563 nan 8.360 nan 0.000 0.458 139 Y N 1.513 121.554 120.300 -0.431 0.000 2.242 139 Y HA -0.134 4.416 4.550 0.001 0.000 0.291 139 Y C 2.092 177.768 175.900 -0.373 0.000 1.137 139 Y CA 1.782 59.449 58.100 -0.721 0.000 1.181 139 Y CB -0.146 37.673 38.460 -1.067 0.000 0.989 139 Y HN -0.159 nan 8.280 nan 0.000 0.527 140 K N 0.183 120.278 120.400 -0.508 0.000 2.063 140 K HA -0.206 4.114 4.320 0.001 0.000 0.208 140 K C 1.598 177.948 176.600 -0.416 0.000 1.048 140 K CA 1.968 57.929 56.287 -0.544 0.000 0.928 140 K CB -0.289 32.030 32.500 -0.301 0.000 0.713 140 K HN 0.347 nan 8.250 nan 0.000 0.442 141 D N 1.209 121.446 120.400 -0.272 0.000 2.092 141 D HA -0.162 4.479 4.640 0.001 0.000 0.193 141 D C 1.543 177.731 176.300 -0.187 0.000 0.994 141 D CA 1.572 55.451 54.000 -0.203 0.000 0.828 141 D CB -0.469 40.267 40.800 -0.107 0.000 0.963 141 D HN 0.305 nan 8.370 nan 0.000 0.450 142 D N 0.083 120.398 120.400 -0.141 0.000 2.103 142 D HA -0.177 4.464 4.640 0.001 0.000 0.190 142 D C 1.817 178.012 176.300 -0.175 0.000 0.997 142 D CA 0.668 54.612 54.000 -0.093 0.000 0.833 142 D CB -0.586 40.244 40.800 0.051 0.000 0.961 142 D HN 0.132 nan 8.370 nan 0.000 0.447 143 F N 1.364 121.035 119.950 -0.464 0.000 2.065 143 F HA -0.240 4.287 4.527 0.001 0.000 0.298 143 F C 2.083 177.678 175.800 -0.342 0.000 1.112 143 F CA 1.661 59.379 58.000 -0.470 0.000 1.212 143 F CB 0.007 38.558 39.000 -0.749 0.000 0.975 143 F HN -0.161 nan 8.300 nan 0.000 0.476 144 K N -0.327 119.950 120.400 -0.205 0.000 2.063 144 K HA -0.249 4.071 4.320 0.001 0.000 0.208 144 K C 2.253 178.718 176.600 -0.224 0.000 1.048 144 K CA 1.750 57.866 56.287 -0.284 0.000 0.928 144 K CB -0.328 31.873 32.500 -0.498 0.000 0.713 144 K HN 0.288 nan 8.250 nan 0.000 0.442 145 R N 1.134 121.511 120.500 -0.206 0.000 2.073 145 R HA -0.086 4.255 4.340 0.001 0.000 0.234 145 R C 2.216 178.413 176.300 -0.172 0.000 1.134 145 R CA 1.565 57.569 56.100 -0.159 0.000 0.952 145 R CB -0.189 30.035 30.300 -0.127 0.000 0.850 145 R HN 0.098 nan 8.270 nan 0.000 0.433 146 M N 0.652 120.119 119.600 -0.222 0.000 2.149 146 M HA -0.186 4.294 4.480 0.001 0.000 0.261 146 M C 2.260 178.408 176.300 -0.254 0.000 1.064 146 M CA 1.595 56.750 55.300 -0.241 0.000 1.102 146 M CB -0.242 32.172 32.600 -0.309 0.000 1.369 146 M HN 0.274 nan 8.290 nan 0.000 0.408 147 L N -0.273 120.768 121.223 -0.304 0.000 1.988 147 L HA -0.179 4.162 4.340 0.001 0.000 0.207 147 L C 2.060 178.850 176.870 -0.133 0.000 1.071 147 L CA 1.453 56.153 54.840 -0.234 0.000 0.744 147 L CB -0.698 41.235 42.059 -0.209 0.000 0.893 147 L HN 0.320 nan 8.230 nan 0.000 0.433 148 E N -0.299 119.837 120.200 -0.108 0.000 2.510 148 E HA -0.224 4.126 4.350 0.001 0.000 0.202 148 E C 1.601 178.156 176.600 -0.075 0.000 1.072 148 E CA 0.426 56.783 56.400 -0.072 0.000 0.883 148 E CB 0.070 29.731 29.700 -0.064 0.000 0.818 148 E HN 0.454 nan 8.360 nan 0.000 0.548 149 E N 0.177 120.320 120.200 -0.096 0.000 2.400 149 E HA -0.039 4.311 4.350 0.001 0.000 0.195 149 E C 1.250 177.802 176.600 -0.080 0.000 1.012 149 E CA 0.230 56.579 56.400 -0.085 0.000 0.875 149 E CB 0.467 30.108 29.700 -0.099 0.000 0.859 149 E HN 0.077 nan 8.360 nan 0.000 0.498 150 Q N -1.057 118.689 119.800 -0.090 0.000 2.179 150 Q HA 0.173 4.513 4.340 0.001 0.000 0.213 150 Q C 0.930 176.894 176.000 -0.061 0.000 0.833 150 Q CA 0.524 56.280 55.803 -0.079 0.000 0.990 150 Q CB 1.723 30.401 28.738 -0.101 0.000 1.132 150 Q HN 0.392 nan 8.270 nan 0.000 0.493 151 G N 1.441 110.209 108.800 -0.054 0.000 2.550 151 G HA2 -0.329 3.632 3.960 0.001 0.000 0.233 151 G HA3 -0.329 3.632 3.960 0.001 0.000 0.233 151 G C 0.247 175.128 174.900 -0.032 0.000 1.170 151 G CA 0.315 45.392 45.100 -0.038 0.000 0.693 151 G HN 0.429 nan 8.290 nan 0.000 0.512 152 E N 1.802 121.978 120.200 -0.040 0.000 2.459 152 E HA 0.325 4.676 4.350 0.001 0.000 0.264 152 E C 0.371 176.962 176.600 -0.014 0.000 1.055 152 E CA 0.587 56.970 56.400 -0.029 0.000 0.957 152 E CB 0.358 30.032 29.700 -0.043 0.000 0.952 152 E HN 0.643 nan 8.360 nan 0.000 0.448 153 E N 0.888 121.091 120.200 0.004 0.000 2.283 153 E HA 0.128 4.478 4.350 0.001 0.000 0.271 153 E C -1.092 175.538 176.600 0.050 0.000 1.031 153 E CA -0.551 55.865 56.400 0.027 0.000 0.868 153 E CB 0.841 30.551 29.700 0.018 0.000 1.094 153 E HN 0.372 nan 8.360 nan 0.000 0.401 154 Y N 1.775 122.050 120.300 -0.042 0.000 2.313 154 Y HA 0.331 4.881 4.550 0.001 0.000 0.332 154 Y C -0.885 174.985 175.900 -0.050 0.000 1.071 154 Y CA -0.497 57.573 58.100 -0.050 0.000 1.169 154 Y CB 0.673 39.098 38.460 -0.059 0.000 1.192 154 Y HN 0.180 nan 8.280 nan 0.000 0.487 155 V N 6.448 125.828 119.914 -0.891 0.000 2.769 155 V HA 0.169 4.289 4.120 0.001 0.000 0.312 155 V C 0.674 176.233 176.094 -0.891 0.000 1.058 155 V CA -0.510 61.406 62.300 -0.640 0.000 0.952 155 V CB 1.628 33.303 31.823 -0.246 0.000 1.019 155 V HN 1.020 nan 8.190 nan 0.000 0.445 156 D N 2.552 122.735 120.400 -0.361 0.000 2.509 156 D HA -0.272 4.369 4.640 0.001 0.000 0.589 156 D C 1.106 177.264 176.300 -0.236 0.000 0.894 156 D CA 3.073 56.968 54.000 -0.174 0.000 1.656 156 D CB -0.255 40.566 40.800 0.035 0.000 0.253 156 D HN 1.004 nan 8.370 nan 0.000 0.470 157 G N -2.208 106.377 108.800 -0.358 0.000 5.338 157 G HA2 0.268 4.229 3.960 0.001 0.000 0.198 157 G HA3 0.268 4.229 3.960 0.001 0.000 0.198 157 G C 0.725 175.204 174.900 -0.700 0.000 0.708 157 G CA 0.428 45.373 45.100 -0.259 0.000 0.626 157 G HN 0.346 nan 8.290 nan 0.000 0.419 158 M N -0.061 118.741 119.600 -1.330 0.000 2.539 158 M HA 0.006 4.486 4.480 0.001 0.000 0.261 158 M C 1.913 177.410 176.300 -1.339 0.000 1.069 158 M CA 1.633 55.657 55.300 -2.127 0.000 1.081 158 M CB -0.356 31.163 32.600 -1.802 0.000 1.412 158 M HN 0.262 nan 8.290 nan 0.000 0.482 159 E N 0.737 120.212 120.200 -1.207 0.000 2.265 159 E HA -0.208 4.142 4.350 0.001 0.000 0.196 159 E C 0.725 176.665 176.600 -1.099 0.000 0.996 159 E CA 1.357 56.729 56.400 -1.712 0.000 0.832 159 E CB -0.674 28.055 29.700 -1.618 0.000 0.756 159 E HN 0.882 nan 8.360 nan 0.000 0.491 160 W N -0.907 120.179 121.300 -0.356 0.000 3.127 160 W HA 0.243 4.903 4.660 0.000 0.000 0.344 160 W C 1.170 177.817 176.519 0.212 0.000 1.151 160 W CA -1.120 56.202 57.345 -0.038 0.000 1.765 160 W CB 0.113 29.590 29.460 0.029 0.000 1.085 160 W HN -0.033 nan 8.180 nan 0.000 0.596 161 W N 0.897 122.265 121.300 0.114 0.000 2.418 161 W HA 0.018 4.679 4.660 0.001 0.000 0.292 161 W C 0.461 177.069 176.519 0.149 0.000 1.213 161 W CA 0.725 58.151 57.345 0.135 0.000 1.283 161 W CB -1.008 28.479 29.460 0.046 0.000 1.119 161 W HN -0.255 nan 8.180 nan 0.000 0.542 162 N N -1.156 117.653 118.700 0.182 0.000 2.357 162 N HA 0.126 4.866 4.740 0.001 0.000 0.284 162 N C -1.372 173.946 175.510 -0.320 0.000 1.236 162 N CA -0.756 52.302 53.050 0.013 0.000 0.774 162 N CB 1.974 40.540 38.487 0.132 0.000 1.534 162 N HN -0.272 nan 8.380 nan 0.000 0.478 163 F N 2.104 121.801 119.950 -0.421 0.000 2.459 163 F HA 0.320 4.848 4.527 0.001 0.000 0.346 163 F C -0.011 175.726 175.800 -0.104 0.000 1.128 163 F CA -0.066 57.736 58.000 -0.329 0.000 1.268 163 F CB 0.339 39.271 39.000 -0.113 0.000 1.161 163 F HN 0.639 nan 8.300 nan 0.000 0.583 164 N N 1.730 119.712 118.700 -1.197 0.000 2.823 164 N HA 0.197 4.938 4.740 0.001 0.000 0.251 164 N C -0.420 174.509 175.510 -0.969 0.000 1.392 164 N CA -0.716 51.805 53.050 -0.882 0.000 0.864 164 N CB 0.698 39.019 38.487 -0.277 0.000 1.481 164 N HN 0.384 nan 8.380 nan 0.000 0.508 165 E N 0.086 119.973 120.200 -0.523 0.000 2.333 165 E HA -0.176 4.174 4.350 0.001 0.000 0.198 165 E C 0.898 177.427 176.600 -0.120 0.000 1.007 165 E CA 1.142 57.380 56.400 -0.269 0.000 0.845 165 E CB -0.083 29.543 29.700 -0.122 0.000 0.766 165 E HN 0.871 nan 8.360 nan 0.000 0.507 166 E N -0.048 120.118 120.200 -0.057 0.000 2.216 166 E HA -0.088 4.262 4.350 0.001 0.000 0.192 166 E C 2.134 178.840 176.600 0.177 0.000 0.988 166 E CA 0.421 56.887 56.400 0.110 0.000 0.834 166 E CB -0.295 29.537 29.700 0.220 0.000 0.772 166 E HN 0.154 nan 8.360 nan 0.000 0.479 167 M N 0.314 119.902 119.600 -0.020 0.000 2.132 167 M HA -0.090 4.390 4.480 0.001 0.000 0.263 167 M C 2.317 178.622 176.300 0.008 0.000 1.065 167 M CA 1.303 56.480 55.300 -0.206 0.000 1.122 167 M CB -0.007 32.414 32.600 -0.298 0.000 1.365 167 M HN 0.226 nan 8.290 nan 0.000 0.411 168 M N 1.155 120.788 119.600 0.054 0.000 2.080 168 M HA -0.248 4.232 4.480 0.001 0.000 0.260 168 M C 1.320 177.680 176.300 0.102 0.000 1.068 168 M CA 2.101 57.509 55.300 0.179 0.000 1.109 168 M CB -0.616 32.129 32.600 0.241 0.000 1.342 168 M HN 0.256 nan 8.290 nan 0.000 0.405 169 D N -1.194 119.235 120.400 0.048 0.000 2.123 169 D HA -0.189 4.451 4.640 0.001 0.000 0.196 169 D C 1.940 178.219 176.300 -0.034 0.000 0.992 169 D CA 1.554 55.541 54.000 -0.021 0.000 0.833 169 D CB -0.516 40.232 40.800 -0.086 0.000 0.954 169 D HN 0.466 nan 8.370 nan 0.000 0.455 170 Y N 1.273 121.563 120.300 -0.016 0.000 2.242 170 Y HA -0.120 4.431 4.550 0.001 0.000 0.291 170 Y C 2.246 178.151 175.900 0.009 0.000 1.137 170 Y CA 1.069 59.164 58.100 -0.009 0.000 1.181 170 Y CB -0.409 38.020 38.460 -0.051 0.000 0.989 170 Y HN 0.033 nan 8.280 nan 0.000 0.527 171 N N -0.409 118.393 118.700 0.169 0.000 2.120 171 N HA -0.183 4.557 4.740 0.001 0.000 0.188 171 N C 1.769 177.354 175.510 0.126 0.000 1.024 171 N CA 1.271 54.406 53.050 0.141 0.000 0.852 171 N CB -0.110 38.452 38.487 0.126 0.000 1.003 171 N HN 0.100 nan 8.380 nan 0.000 0.424 172 V N 1.235 121.196 119.914 0.079 0.000 2.358 172 V HA -0.181 3.939 4.120 0.001 0.000 0.246 172 V C 2.433 178.508 176.094 -0.031 0.000 1.047 172 V CA 1.415 63.727 62.300 0.021 0.000 1.035 172 V CB -0.488 31.300 31.823 -0.058 0.000 0.658 172 V HN 0.396 nan 8.190 nan 0.000 0.452 173 Q N -0.449 119.329 119.800 -0.037 0.000 2.124 173 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 173 Q C 2.039 178.048 176.000 0.015 0.000 0.977 173 Q CA 1.552 57.327 55.803 -0.046 0.000 0.850 173 Q CB -0.546 28.153 28.738 -0.065 0.000 0.901 173 Q HN 0.616 nan 8.270 nan 0.000 0.429 174 D N -0.308 120.139 120.400 0.078 0.000 2.123 174 D HA -0.117 4.524 4.640 0.001 0.000 0.196 174 D C 1.989 178.335 176.300 0.077 0.000 0.992 174 D CA 0.851 54.907 54.000 0.094 0.000 0.833 174 D CB 0.005 40.889 40.800 0.141 0.000 0.954 174 D HN 0.043 nan 8.370 nan 0.000 0.455 175 V N 0.810 120.792 119.914 0.114 0.000 2.358 175 V HA -0.188 3.933 4.120 0.001 0.000 0.246 175 V C 2.695 178.840 176.094 0.084 0.000 1.047 175 V CA 1.540 63.929 62.300 0.149 0.000 1.035 175 V CB -0.608 31.381 31.823 0.277 0.000 0.658 175 V HN 0.194 nan 8.190 nan 0.000 0.452 176 V N -1.625 118.311 119.914 0.037 0.000 2.343 176 V HA -0.164 3.956 4.120 0.001 0.000 0.247 176 V C 2.199 178.160 176.094 -0.222 0.000 1.051 176 V CA 2.077 64.335 62.300 -0.070 0.000 1.036 176 V CB -0.878 30.843 31.823 -0.169 0.000 0.654 176 V HN 0.286 nan 8.190 nan 0.000 0.451 177 V N 1.035 120.827 119.914 -0.203 0.000 2.427 177 V HA -0.200 3.921 4.120 0.001 0.000 0.248 177 V C 2.817 178.711 176.094 -0.334 0.000 1.051 177 V CA 2.620 64.713 62.300 -0.346 0.000 1.048 177 V CB -1.095 30.677 31.823 -0.084 0.000 0.666 177 V HN 0.667 nan 8.190 nan 0.000 0.456 178 T N -0.447 114.018 114.554 -0.149 0.000 2.821 178 T HA -0.220 4.131 4.350 0.001 0.000 0.267 178 T C 1.947 176.589 174.700 -0.095 0.000 1.046 178 T CA 1.710 63.766 62.100 -0.073 0.000 1.139 178 T CB -0.167 68.737 68.868 0.060 0.000 0.871 178 T HN 0.467 nan 8.240 nan 0.000 0.454 179 K N 1.097 121.412 120.400 -0.142 0.000 2.057 179 K HA -0.038 4.283 4.320 0.001 0.000 0.207 179 K C 2.485 178.965 176.600 -0.200 0.000 1.049 179 K CA 1.260 57.453 56.287 -0.157 0.000 0.931 179 K CB -0.299 32.008 32.500 -0.322 0.000 0.714 179 K HN 0.275 nan 8.250 nan 0.000 0.440 180 A N 1.791 124.376 122.820 -0.392 0.000 1.898 180 A HA -0.136 4.185 4.320 0.001 0.000 0.216 180 A C 2.150 179.482 177.584 -0.420 0.000 1.181 180 A CA 1.163 52.884 52.037 -0.527 0.000 0.620 180 A CB -0.658 17.670 19.000 -1.121 0.000 0.819 180 A HN 0.429 nan 8.150 nan 0.000 0.442 181 L N -0.860 120.110 121.223 -0.422 0.000 2.012 181 L HA -0.184 4.156 4.340 0.001 0.000 0.210 181 L C 2.551 179.441 176.870 0.034 0.000 1.073 181 L CA 2.073 56.868 54.840 -0.075 0.000 0.748 181 L CB -0.379 41.692 42.059 0.021 0.000 0.891 181 L HN 0.493 nan 8.230 nan 0.000 0.431 182 L N 0.440 121.670 121.223 0.012 0.000 1.990 182 L HA -0.292 4.048 4.340 0.001 0.000 0.213 182 L C 2.356 179.227 176.870 0.002 0.000 1.072 182 L CA 2.059 56.921 54.840 0.037 0.000 0.755 182 L CB -0.635 41.457 42.059 0.054 0.000 0.889 182 L HN 0.286 nan 8.230 nan 0.000 0.432 183 E N -0.651 119.550 120.200 0.002 0.000 2.204 183 E HA -0.271 4.079 4.350 0.001 0.000 0.195 183 E C 2.104 178.726 176.600 0.035 0.000 0.990 183 E CA 1.193 57.597 56.400 0.007 0.000 0.821 183 E CB -0.196 29.521 29.700 0.028 0.000 0.750 183 E HN 0.538 nan 8.360 nan 0.000 0.477 184 K N 1.181 121.627 120.400 0.076 0.000 2.097 184 K HA -0.116 4.204 4.320 0.001 0.000 0.205 184 K C 2.027 178.707 176.600 0.133 0.000 1.050 184 K CA 0.781 57.156 56.287 0.145 0.000 0.938 184 K CB 0.060 32.710 32.500 0.250 0.000 0.718 184 K HN 0.085 nan 8.250 nan 0.000 0.442 185 L N 0.914 122.201 121.223 0.107 0.000 2.072 185 L HA -0.108 4.232 4.340 0.001 0.000 0.205 185 L C 2.329 179.221 176.870 0.036 0.000 1.079 185 L CA 0.728 55.621 54.840 0.088 0.000 0.752 185 L CB -0.320 41.797 42.059 0.097 0.000 0.906 185 L HN 0.180 nan 8.230 nan 0.000 0.436 186 L N -0.103 121.024 121.223 -0.160 0.000 2.265 186 L HA -0.141 4.200 4.340 0.001 0.000 0.215 186 L C 2.597 179.438 176.870 -0.049 0.000 1.117 186 L CA 1.205 55.779 54.840 -0.442 0.000 0.782 186 L CB -0.516 41.276 42.059 -0.444 0.000 0.914 186 L HN 0.399 nan 8.230 nan 0.000 0.441 187 S N -2.067 113.664 115.700 0.051 0.000 2.607 187 S HA -0.097 4.373 4.470 0.001 0.000 0.224 187 S C 0.794 175.490 174.600 0.159 0.000 0.969 187 S CA -0.128 58.137 58.200 0.109 0.000 0.927 187 S CB -0.399 62.861 63.200 0.100 0.000 0.772 187 S HN 0.289 nan 8.310 nan 0.000 0.533 188 D N 2.274 122.806 120.400 0.220 0.000 2.402 188 D HA 0.139 4.780 4.640 0.001 0.000 0.235 188 D C 1.004 177.466 176.300 0.271 0.000 1.226 188 D CA -0.138 54.010 54.000 0.247 0.000 0.918 188 D CB 1.044 42.010 40.800 0.278 0.000 1.043 188 D HN 0.401 nan 8.370 nan 0.000 0.506 189 K N 3.216 123.727 120.400 0.186 0.000 2.173 189 K HA -0.297 4.023 4.320 0.001 0.000 0.207 189 K C 1.601 178.241 176.600 0.067 0.000 1.046 189 K CA 1.533 57.901 56.287 0.136 0.000 0.929 189 K CB -0.153 32.414 32.500 0.111 0.000 0.720 189 K HN 0.458 nan 8.250 nan 0.000 0.453 190 H N -1.334 117.704 119.070 -0.053 0.000 2.389 190 H HA -0.112 4.445 4.556 0.001 0.000 0.299 190 H C 0.934 175.964 175.328 -0.498 0.000 1.081 190 H CA 2.216 58.090 56.048 -0.291 0.000 1.345 190 H CB 0.090 29.568 29.762 -0.472 0.000 1.393 190 H HN 0.355 nan 8.280 nan 0.000 0.520 191 Y N -1.950 118.223 120.300 -0.213 0.000 2.479 191 Y HA 0.204 4.754 4.550 0.001 0.000 0.283 191 Y C -0.105 175.256 175.900 -0.898 0.000 1.109 191 Y CA -0.121 57.646 58.100 -0.556 0.000 1.239 191 Y CB 0.549 38.651 38.460 -0.597 0.000 1.108 191 Y HN -0.015 nan 8.280 nan 0.000 0.548 192 F N 1.010 120.905 119.950 -0.092 0.000 2.445 192 F HA 0.460 4.987 4.527 0.001 0.000 0.348 192 F C -2.578 173.255 175.800 0.055 0.000 1.125 192 F CA -3.379 54.475 58.000 -0.243 0.000 0.983 192 F CB 1.076 39.778 39.000 -0.496 0.000 1.198 192 F HN -0.293 nan 8.300 nan 0.000 0.436 193 P HA 0.032 nan 4.420 nan 0.000 0.262 193 P C -2.008 175.452 177.300 0.267 0.000 1.182 193 P CA -0.698 62.539 63.100 0.229 0.000 0.761 193 P CB 0.503 32.316 31.700 0.187 0.000 0.795 194 P HA -0.182 nan 4.420 nan 0.000 0.218 194 P C 0.855 178.206 177.300 0.085 0.000 1.148 194 P CA 1.405 64.583 63.100 0.129 0.000 0.822 194 P CB -0.036 31.719 31.700 0.092 0.000 0.784 195 E N -0.826 119.408 120.200 0.056 0.000 2.401 195 E HA -0.049 4.301 4.350 0.001 0.000 0.199 195 E C 0.573 177.144 176.600 -0.049 0.000 1.023 195 E CA 0.641 57.045 56.400 0.006 0.000 0.859 195 E CB -0.554 29.145 29.700 -0.002 0.000 0.780 195 E HN 0.347 nan 8.360 nan 0.000 0.523 196 I N 0.831 121.353 120.570 -0.080 0.000 2.433 196 I HA 0.160 4.330 4.170 0.001 0.000 0.292 196 I C -0.396 175.554 176.117 -0.279 0.000 1.001 196 I CA -1.056 60.068 61.300 -0.294 0.000 1.119 196 I CB 1.656 39.261 38.000 -0.659 0.000 1.289 196 I HN -0.217 nan 8.210 nan 0.000 0.438 197 D N 5.726 125.973 120.400 -0.256 0.000 2.441 197 D HA 0.166 4.807 4.640 0.001 0.000 0.221 197 D C 0.502 176.669 176.300 -0.222 0.000 1.156 197 D CA -0.170 53.740 54.000 -0.150 0.000 0.896 197 D CB 0.385 41.117 40.800 -0.114 0.000 1.028 197 D HN 0.295 nan 8.370 nan 0.000 0.509 198 F N 1.145 121.032 119.950 -0.105 0.000 2.722 198 F HA -0.062 4.465 4.527 0.001 0.000 0.298 198 F C 2.446 178.177 175.800 -0.115 0.000 1.175 198 F CA 0.882 58.836 58.000 -0.077 0.000 1.462 198 F CB -0.082 38.836 39.000 -0.137 0.000 1.111 198 F HN 0.368 nan 8.300 nan 0.000 0.592 199 T N -4.565 109.902 114.554 -0.144 0.000 3.122 199 T HA 0.051 4.401 4.350 0.001 0.000 0.250 199 T C 0.600 175.085 174.700 -0.359 0.000 1.067 199 T CA 0.256 62.084 62.100 -0.453 0.000 0.966 199 T CB -0.105 68.164 68.868 -0.998 0.000 1.002 199 T HN 0.111 nan 8.240 nan 0.000 0.542 200 D N 1.215 121.498 120.400 -0.194 0.000 2.837 200 D HA 0.284 4.924 4.640 0.001 0.000 0.340 200 D C -0.283 175.949 176.300 -0.113 0.000 1.451 200 D CA -0.424 53.494 54.000 -0.135 0.000 0.798 200 D CB 0.774 41.506 40.800 -0.114 0.000 1.169 200 D HN 0.382 nan 8.370 nan 0.000 0.449 201 V N -2.651 117.207 119.914 -0.094 0.000 3.040 201 V HA 0.987 5.107 4.120 0.001 0.000 0.312 201 V C 0.845 176.910 176.094 -0.048 0.000 1.115 201 V CA -0.728 61.522 62.300 -0.084 0.000 0.998 201 V CB 1.297 33.048 31.823 -0.120 0.000 1.042 201 V HN 0.026 nan 8.190 nan 0.000 0.433 202 G N 0.581 109.343 108.800 -0.062 0.000 2.634 202 G HA2 0.289 4.249 3.960 0.001 0.000 0.255 202 G HA3 0.289 4.249 3.960 0.001 0.000 0.255 202 G C 0.215 175.085 174.900 -0.050 0.000 1.205 202 G CA 0.315 45.377 45.100 -0.062 0.000 0.884 202 G HN 1.393 nan 8.290 nan 0.000 0.549 203 Y N -0.950 119.328 120.300 -0.037 0.000 2.165 203 Y HA -0.130 4.420 4.550 0.001 0.000 0.286 203 Y C 2.614 178.547 175.900 0.054 0.000 1.155 203 Y CA 2.043 60.104 58.100 -0.066 0.000 1.164 203 Y CB -1.153 37.324 38.460 0.029 0.000 0.978 203 Y HN 0.331 nan 8.280 nan 0.000 0.513 204 T N 0.072 114.283 114.554 -0.571 0.000 2.720 204 T HA -0.190 4.161 4.350 0.001 0.000 0.268 204 T C 1.711 176.421 174.700 0.017 0.000 1.037 204 T CA 2.198 64.168 62.100 -0.216 0.000 1.144 204 T CB -0.702 67.942 68.868 -0.373 0.000 0.864 204 T HN 0.555 nan 8.240 nan 0.000 0.444 205 T N 1.580 116.109 114.554 -0.041 0.000 2.821 205 T HA -0.011 4.339 4.350 0.001 0.000 0.267 205 T C 1.523 176.290 174.700 0.111 0.000 1.046 205 T CA 0.816 62.921 62.100 0.008 0.000 1.139 205 T CB -0.485 68.346 68.868 -0.062 0.000 0.871 205 T HN 0.364 nan 8.240 nan 0.000 0.454 206 F N 0.377 120.300 119.950 -0.045 0.000 2.095 206 F HA -0.107 4.421 4.527 0.001 0.000 0.298 206 F C 1.803 177.616 175.800 0.023 0.000 1.104 206 F CA 1.280 59.280 58.000 -0.000 0.000 1.232 206 F CB -0.366 38.410 39.000 -0.374 0.000 0.987 206 F HN 0.252 nan 8.300 nan 0.000 0.475 207 W N 0.035 121.572 121.300 0.396 0.000 2.409 207 W HA -0.095 4.566 4.660 0.001 0.000 0.299 207 W C 2.904 179.502 176.519 0.130 0.000 1.203 207 W CA 0.974 58.466 57.345 0.246 0.000 1.298 207 W CB -0.951 28.662 29.460 0.255 0.000 1.127 207 W HN 0.088 nan 8.180 nan 0.000 0.528 208 S N -0.220 115.674 115.700 0.323 0.000 2.428 208 S HA -0.095 4.376 4.470 0.001 0.000 0.230 208 S C 1.446 176.135 174.600 0.147 0.000 1.014 208 S CA 1.002 59.322 58.200 0.202 0.000 0.957 208 S CB -0.260 63.027 63.200 0.144 0.000 0.784 208 S HN 0.162 nan 8.310 nan 0.000 0.499 209 E N 1.901 122.199 120.200 0.164 0.000 2.400 209 E HA 0.143 4.493 4.350 0.001 0.000 0.195 209 E C 0.952 177.675 176.600 0.204 0.000 1.012 209 E CA 0.419 56.927 56.400 0.179 0.000 0.875 209 E CB 0.302 30.102 29.700 0.166 0.000 0.859 209 E HN 0.736 nan 8.360 nan 0.000 0.498 210 S N 0.514 116.255 115.700 0.069 0.000 2.652 210 S HA 0.326 4.796 4.470 0.001 0.000 0.270 210 S C 0.310 174.795 174.600 -0.192 0.000 1.243 210 S CA -0.898 57.136 58.200 -0.277 0.000 0.999 210 S CB 1.404 64.210 63.200 -0.657 0.000 0.973 210 S HN 0.043 nan 8.310 nan 0.000 0.544 211 L N 1.581 122.612 121.223 -0.319 0.000 2.543 211 L HA 0.123 4.463 4.340 0.001 0.000 0.285 211 L C 1.867 178.730 176.870 -0.012 0.000 1.236 211 L CA 0.588 55.320 54.840 -0.180 0.000 0.871 211 L CB -0.164 41.725 42.059 -0.283 0.000 1.121 211 L HN 1.033 nan 8.230 nan 0.000 0.501 212 E N 3.033 123.277 120.200 0.073 0.000 2.114 212 E HA -0.302 4.049 4.350 0.001 0.000 0.199 212 E C 1.706 178.436 176.600 0.217 0.000 1.008 212 E CA 1.584 58.095 56.400 0.185 0.000 0.810 212 E CB 0.040 29.905 29.700 0.274 0.000 0.739 212 E HN 0.898 nan 8.360 nan 0.000 0.456 213 A N 0.409 123.349 122.820 0.200 0.000 1.986 213 A HA -0.173 4.147 4.320 0.001 0.000 0.220 213 A C 2.380 180.112 177.584 0.248 0.000 1.171 213 A CA 1.595 53.773 52.037 0.236 0.000 0.640 213 A CB -0.624 18.527 19.000 0.252 0.000 0.811 213 A HN 0.248 nan 8.150 nan 0.000 0.451 214 V N 0.344 120.399 119.914 0.235 0.000 2.343 214 V HA -0.247 3.873 4.120 0.001 0.000 0.247 214 V C 2.358 178.769 176.094 0.529 0.000 1.051 214 V CA 2.435 64.947 62.300 0.352 0.000 1.036 214 V CB -0.747 31.200 31.823 0.206 0.000 0.654 214 V HN 0.710 nan 8.190 nan 0.000 0.451 215 D N 0.043 120.679 120.400 0.394 0.000 2.117 215 D HA -0.118 4.522 4.640 0.001 0.000 0.198 215 D C 2.003 178.372 176.300 0.115 0.000 0.982 215 D CA 1.293 55.432 54.000 0.231 0.000 0.828 215 D CB -0.154 40.751 40.800 0.174 0.000 0.967 215 D HN 0.402 nan 8.370 nan 0.000 0.464 216 I N 0.496 121.166 120.570 0.167 0.000 2.226 216 I HA -0.190 3.980 4.170 0.001 0.000 0.245 216 I C 2.244 178.442 176.117 0.134 0.000 1.100 216 I CA 0.920 62.302 61.300 0.136 0.000 1.374 216 I CB -0.216 37.910 38.000 0.211 0.000 1.057 216 I HN 0.065 nan 8.210 nan 0.000 0.413 217 E N 0.222 120.529 120.200 0.178 0.000 2.072 217 E HA -0.223 4.127 4.350 0.001 0.000 0.191 217 E C 2.119 178.748 176.600 0.049 0.000 0.985 217 E CA 1.503 57.970 56.400 0.112 0.000 0.801 217 E CB -0.410 29.344 29.700 0.090 0.000 0.750 217 E HN 0.595 nan 8.360 nan 0.000 0.452 218 H N 0.238 119.381 119.070 0.121 0.000 2.387 218 H HA 0.044 4.600 4.556 0.001 0.000 0.299 218 H C 2.258 177.671 175.328 0.142 0.000 1.090 218 H CA 1.452 57.584 56.048 0.140 0.000 1.332 218 H CB 0.078 29.955 29.762 0.192 0.000 1.386 218 H HN 0.001 nan 8.280 nan 0.000 0.516 219 R N -0.056 120.497 120.500 0.089 0.000 2.075 219 R HA -0.030 4.310 4.340 0.001 0.000 0.232 219 R C 2.482 178.814 176.300 0.053 0.000 1.126 219 R CA 0.964 57.063 56.100 -0.001 0.000 0.963 219 R CB -0.163 30.067 30.300 -0.116 0.000 0.858 219 R HN 0.297 nan 8.270 nan 0.000 0.435 220 A N 1.127 123.971 122.820 0.039 0.000 1.898 220 A HA -0.091 4.229 4.320 0.001 0.000 0.216 220 A C 2.336 179.960 177.584 0.068 0.000 1.181 220 A CA 1.640 53.679 52.037 0.004 0.000 0.620 220 A CB -0.595 18.415 19.000 0.017 0.000 0.819 220 A HN 0.391 nan 8.150 nan 0.000 0.442 221 A N -1.504 121.391 122.820 0.124 0.000 1.930 221 A HA -0.158 4.162 4.320 0.001 0.000 0.217 221 A C 2.090 179.827 177.584 0.255 0.000 1.175 221 A CA 1.304 53.431 52.037 0.150 0.000 0.627 221 A CB -0.796 18.241 19.000 0.061 0.000 0.815 221 A HN 0.842 nan 8.150 nan 0.000 0.443 222 W N 0.368 121.772 121.300 0.174 0.000 2.388 222 W HA -0.145 4.515 4.660 0.001 0.000 0.294 222 W C 1.704 178.162 176.519 -0.101 0.000 1.212 222 W CA 1.775 59.137 57.345 0.028 0.000 1.271 222 W CB -0.314 29.108 29.460 -0.063 0.000 1.126 222 W HN 0.363 nan 8.180 nan 0.000 0.535 223 L N 1.201 122.502 121.223 0.129 0.000 2.027 223 L HA -0.127 4.213 4.340 0.001 0.000 0.206 223 L C 2.383 179.167 176.870 -0.144 0.000 1.074 223 L CA 1.930 56.723 54.840 -0.080 0.000 0.745 223 L CB -1.232 40.722 42.059 -0.176 0.000 0.898 223 L HN -0.086 nan 8.230 nan 0.000 0.433 224 L N -0.467 120.724 121.223 -0.053 0.000 2.141 224 L HA -0.114 4.226 4.340 0.001 0.000 0.209 224 L C 2.653 179.510 176.870 -0.021 0.000 1.094 224 L CA 0.933 55.778 54.840 0.009 0.000 0.763 224 L CB -0.918 41.201 42.059 0.100 0.000 0.908 224 L HN 0.384 nan 8.230 nan 0.000 0.437 225 A N 0.449 123.224 122.820 -0.075 0.000 1.902 225 A HA -0.249 4.072 4.320 0.001 0.000 0.217 225 A C 2.313 179.787 177.584 -0.184 0.000 1.181 225 A CA 1.957 53.922 52.037 -0.120 0.000 0.623 225 A CB -0.363 18.517 19.000 -0.199 0.000 0.818 225 A HN 0.258 nan 8.150 nan 0.000 0.443 226 K N 0.237 120.466 120.400 -0.285 0.000 2.057 226 K HA -0.205 4.115 4.320 0.001 0.000 0.207 226 K C 2.177 178.629 176.600 -0.247 0.000 1.049 226 K CA 2.127 58.199 56.287 -0.358 0.000 0.931 226 K CB -0.451 31.734 32.500 -0.524 0.000 0.714 226 K HN 0.597 nan 8.250 nan 0.000 0.440 227 Q N 0.343 120.059 119.800 -0.139 0.000 2.084 227 Q HA -0.204 4.136 4.340 0.001 0.000 0.202 227 Q C 1.733 177.759 176.000 0.044 0.000 0.978 227 Q CA 1.900 57.699 55.803 -0.007 0.000 0.844 227 Q CB -0.061 28.737 28.738 0.099 0.000 0.898 227 Q HN 0.506 nan 8.270 nan 0.000 0.426 228 E N 0.094 120.330 120.200 0.060 0.000 2.051 228 E HA -0.206 4.145 4.350 0.001 0.000 0.192 228 E C 2.203 178.939 176.600 0.227 0.000 0.991 228 E CA 1.029 57.513 56.400 0.141 0.000 0.799 228 E CB -0.085 29.681 29.700 0.110 0.000 0.748 228 E HN 0.309 nan 8.360 nan 0.000 0.449 229 R N 0.625 121.182 120.500 0.096 0.000 2.127 229 R HA -0.115 4.225 4.340 0.001 0.000 0.238 229 R C 2.070 178.516 176.300 0.242 0.000 1.134 229 R CA 1.195 57.356 56.100 0.102 0.000 0.975 229 R CB -0.108 30.154 30.300 -0.062 0.000 0.865 229 R HN 0.149 nan 8.270 nan 0.000 0.447 230 N N -0.292 118.483 118.700 0.125 0.000 2.106 230 N HA -0.052 4.688 4.740 0.001 0.000 0.188 230 N C 1.027 176.754 175.510 0.362 0.000 1.029 230 N CA 1.395 54.549 53.050 0.173 0.000 0.848 230 N CB -0.353 38.029 38.487 -0.175 0.000 1.007 230 N HN 0.336 nan 8.380 nan 0.000 0.423 231 G N 0.158 109.040 108.800 0.137 0.000 2.828 231 G HA2 -0.246 3.714 3.960 0.001 0.000 0.463 231 G HA3 -0.246 3.714 3.960 0.001 0.000 0.463 231 G C -1.155 173.795 174.900 0.083 0.000 1.394 231 G CA -0.487 44.502 45.100 -0.185 0.000 0.862 231 G HN 0.210 nan 8.290 nan 0.000 0.540 232 F N 1.940 121.869 119.950 -0.035 0.000 2.403 232 F HA 0.613 5.140 4.527 0.001 0.000 0.355 232 F C -1.945 173.910 175.800 0.093 0.000 1.119 232 F CA -2.789 55.277 58.000 0.109 0.000 1.007 232 F CB 1.887 41.004 39.000 0.195 0.000 1.194 232 F HN 0.236 nan 8.300 nan 0.000 0.443 233 P HA -0.058 nan 4.420 nan 0.000 0.260 233 P C -1.150 176.332 177.300 0.304 0.000 1.172 233 P CA 0.760 64.008 63.100 0.247 0.000 0.760 233 P CB 0.005 31.819 31.700 0.189 0.000 0.773 234 F N 3.246 123.139 119.950 -0.095 0.000 2.507 234 F HA 0.319 4.846 4.527 0.001 0.000 0.325 234 F C -0.042 175.510 175.800 -0.413 0.000 1.116 234 F CA -1.002 56.769 58.000 -0.381 0.000 0.930 234 F CB 1.446 40.186 39.000 -0.434 0.000 1.146 234 F HN 0.096 nan 8.300 nan 0.000 0.447 235 D N 4.369 123.972 120.400 -1.328 0.000 2.517 235 D HA 0.114 4.755 4.640 0.001 0.000 0.220 235 D C 1.042 176.719 176.300 -1.038 0.000 1.158 235 D CA 0.278 53.591 54.000 -1.144 0.000 0.992 235 D CB 0.783 40.789 40.800 -1.323 0.000 1.058 235 D HN 0.693 nan 8.370 nan 0.000 0.516 236 T N 2.082 116.283 114.554 -0.589 0.000 2.699 236 T HA -0.175 4.175 4.350 0.001 0.000 0.268 236 T C 1.826 176.425 174.700 -0.167 0.000 1.036 236 T CA 0.839 62.810 62.100 -0.216 0.000 1.147 236 T CB 0.186 69.086 68.868 0.054 0.000 0.862 236 T HN 0.255 nan 8.240 nan 0.000 0.446 237 K N 1.242 121.542 120.400 -0.166 0.000 2.009 237 K HA 0.023 4.343 4.320 0.001 0.000 0.210 237 K C 2.584 179.124 176.600 -0.101 0.000 1.049 237 K CA 1.556 57.785 56.287 -0.097 0.000 0.929 237 K CB -0.823 31.629 32.500 -0.081 0.000 0.714 237 K HN 0.365 nan 8.250 nan 0.000 0.440 238 A N 1.161 123.875 122.820 -0.176 0.000 1.972 238 A HA -0.136 4.184 4.320 0.001 0.000 0.219 238 A C 2.023 179.557 177.584 -0.084 0.000 1.169 238 A CA 1.202 53.161 52.037 -0.131 0.000 0.635 238 A CB -0.325 18.567 19.000 -0.180 0.000 0.810 238 A HN 0.191 nan 8.150 nan 0.000 0.446 239 I N -0.102 120.391 120.570 -0.129 0.000 2.500 239 I HA -0.111 4.059 4.170 0.001 0.000 0.252 239 I C 2.139 178.321 176.117 0.108 0.000 1.142 239 I CA 1.006 62.323 61.300 0.028 0.000 1.451 239 I CB -1.534 36.537 38.000 0.119 0.000 1.093 239 I HN 0.455 nan 8.210 nan 0.000 0.430 240 E N 0.898 121.147 120.200 0.083 0.000 2.106 240 E HA -0.203 4.148 4.350 0.001 0.000 0.192 240 E C 1.919 178.592 176.600 0.121 0.000 0.984 240 E CA 1.052 57.538 56.400 0.142 0.000 0.806 240 E CB -0.004 29.754 29.700 0.096 0.000 0.750 240 E HN 0.567 nan 8.360 nan 0.000 0.458 241 E N 0.632 120.867 120.200 0.058 0.000 2.107 241 E HA -0.159 4.191 4.350 0.001 0.000 0.191 241 E C 2.127 178.756 176.600 0.048 0.000 0.982 241 E CA 0.456 56.878 56.400 0.036 0.000 0.809 241 E CB -0.039 29.672 29.700 0.017 0.000 0.756 241 E HN 0.097 nan 8.360 nan 0.000 0.459 242 L N 0.629 121.894 121.223 0.070 0.000 2.083 242 L HA -0.196 4.145 4.340 0.001 0.000 0.209 242 L C 2.292 179.206 176.870 0.072 0.000 1.083 242 L CA 1.575 56.456 54.840 0.068 0.000 0.752 242 L CB -0.545 41.568 42.059 0.090 0.000 0.899 242 L HN 0.107 nan 8.230 nan 0.000 0.433 243 Y N -0.485 119.792 120.300 -0.038 0.000 2.224 243 Y HA -0.191 4.359 4.550 0.001 0.000 0.289 243 Y C 2.297 178.161 175.900 -0.060 0.000 1.146 243 Y CA 1.726 59.791 58.100 -0.059 0.000 1.182 243 Y CB -0.738 37.706 38.460 -0.027 0.000 0.983 243 Y HN 0.056 nan 8.280 nan 0.000 0.524 244 V N 0.573 120.412 119.914 -0.125 0.000 2.307 244 V HA -0.285 3.835 4.120 0.001 0.000 0.245 244 V C 2.430 178.438 176.094 -0.142 0.000 1.045 244 V CA 2.234 64.409 62.300 -0.209 0.000 1.024 244 V CB -0.717 31.044 31.823 -0.104 0.000 0.651 244 V HN 0.431 nan 8.190 nan 0.000 0.449 245 E N 0.135 120.295 120.200 -0.067 0.000 2.058 245 E HA -0.228 4.122 4.350 0.001 0.000 0.194 245 E C 2.229 178.787 176.600 -0.070 0.000 0.997 245 E CA 1.576 57.954 56.400 -0.036 0.000 0.801 245 E CB -0.138 29.574 29.700 0.020 0.000 0.746 245 E HN 0.574 nan 8.360 nan 0.000 0.450 246 L N 0.351 121.499 121.223 -0.124 0.000 2.056 246 L HA -0.138 4.203 4.340 0.001 0.000 0.207 246 L C 2.734 179.519 176.870 -0.142 0.000 1.078 246 L CA 1.046 55.779 54.840 -0.179 0.000 0.749 246 L CB -0.495 41.433 42.059 -0.217 0.000 0.901 246 L HN 0.203 nan 8.230 nan 0.000 0.433 247 A N 0.102 122.817 122.820 -0.175 0.000 1.933 247 A HA -0.159 4.161 4.320 0.001 0.000 0.218 247 A C 2.538 180.043 177.584 -0.132 0.000 1.175 247 A CA 1.729 53.645 52.037 -0.202 0.000 0.628 247 A CB -0.658 18.098 19.000 -0.407 0.000 0.814 247 A HN 0.401 nan 8.150 nan 0.000 0.444 248 A N -0.293 122.460 122.820 -0.112 0.000 1.877 248 A HA -0.134 4.186 4.320 0.001 0.000 0.216 248 A C 2.191 179.759 177.584 -0.026 0.000 1.186 248 A CA 2.071 54.072 52.037 -0.060 0.000 0.620 248 A CB -0.430 18.543 19.000 -0.046 0.000 0.822 248 A HN 0.430 nan 8.150 nan 0.000 0.443 249 R N 0.125 120.610 120.500 -0.024 0.000 2.081 249 R HA -0.084 4.256 4.340 0.001 0.000 0.235 249 R C 2.273 178.576 176.300 0.004 0.000 1.131 249 R CA 1.932 58.037 56.100 0.008 0.000 0.960 249 R CB -0.633 29.682 30.300 0.027 0.000 0.856 249 R HN 0.583 nan 8.270 nan 0.000 0.436 250 R N -0.438 120.025 120.500 -0.061 0.000 2.073 250 R HA -0.074 4.266 4.340 0.001 0.000 0.234 250 R C 2.041 178.379 176.300 0.062 0.000 1.134 250 R CA 2.030 58.069 56.100 -0.101 0.000 0.952 250 R CB -0.398 29.771 30.300 -0.219 0.000 0.850 250 R HN 0.208 nan 8.270 nan 0.000 0.433 251 S N 0.458 116.178 115.700 0.033 0.000 2.370 251 S HA -0.192 4.279 4.470 0.001 0.000 0.226 251 S C 1.681 176.332 174.600 0.085 0.000 1.033 251 S CA 1.692 59.929 58.200 0.062 0.000 1.011 251 S CB -0.277 62.933 63.200 0.017 0.000 0.852 251 S HN 0.425 nan 8.310 nan 0.000 0.457 252 E N 1.378 121.619 120.200 0.069 0.000 2.106 252 E HA -0.013 4.338 4.350 0.001 0.000 0.192 252 E C 1.830 178.495 176.600 0.108 0.000 0.984 252 E CA 0.906 57.349 56.400 0.072 0.000 0.806 252 E CB -0.371 29.361 29.700 0.052 0.000 0.750 252 E HN 0.479 nan 8.360 nan 0.000 0.458 253 L N -0.137 121.181 121.223 0.158 0.000 2.093 253 L HA -0.108 4.232 4.340 0.001 0.000 0.208 253 L C 2.389 179.399 176.870 0.232 0.000 1.085 253 L CA 0.654 55.627 54.840 0.222 0.000 0.755 253 L CB -0.485 41.784 42.059 0.351 0.000 0.904 253 L HN 0.245 nan 8.230 nan 0.000 0.435 254 L N 0.193 121.579 121.223 0.270 0.000 2.017 254 L HA -0.218 4.122 4.340 0.001 0.000 0.208 254 L C 2.767 179.722 176.870 0.142 0.000 1.073 254 L CA 1.700 56.664 54.840 0.207 0.000 0.745 254 L CB -0.608 41.586 42.059 0.225 0.000 0.894 254 L HN 0.127 nan 8.230 nan 0.000 0.432 255 R N -0.419 120.149 120.500 0.113 0.000 2.080 255 R HA -0.213 4.128 4.340 0.001 0.000 0.236 255 R C 2.357 178.693 176.300 0.060 0.000 1.137 255 R CA 2.055 58.200 56.100 0.075 0.000 0.943 255 R CB -0.175 30.158 30.300 0.056 0.000 0.846 255 R HN 0.369 nan 8.270 nan 0.000 0.431 256 K N 0.211 120.647 120.400 0.060 0.000 2.026 256 K HA -0.117 4.203 4.320 0.001 0.000 0.208 256 K C 2.209 178.813 176.600 0.007 0.000 1.048 256 K CA 1.413 57.716 56.287 0.026 0.000 0.929 256 K CB -0.148 32.371 32.500 0.031 0.000 0.713 256 K HN 0.232 nan 8.250 nan 0.000 0.439 257 L N 0.837 122.106 121.223 0.076 0.000 2.083 257 L HA -0.156 4.184 4.340 0.001 0.000 0.209 257 L C 2.485 179.417 176.870 0.103 0.000 1.083 257 L CA 1.562 56.472 54.840 0.117 0.000 0.752 257 L CB -0.831 41.409 42.059 0.302 0.000 0.899 257 L HN 0.370 nan 8.230 nan 0.000 0.433 258 T N -3.919 110.724 114.554 0.149 0.000 3.072 258 T HA -0.131 4.220 4.350 0.001 0.000 0.266 258 T C 1.600 176.327 174.700 0.044 0.000 1.127 258 T CA 0.609 62.797 62.100 0.146 0.000 1.107 258 T CB 0.003 68.957 68.868 0.143 0.000 0.910 258 T HN 0.306 nan 8.240 nan 0.000 0.513 259 E N 1.371 121.562 120.200 -0.015 0.000 2.060 259 E HA -0.076 4.274 4.350 0.001 0.000 0.189 259 E C 1.975 178.494 176.600 -0.134 0.000 0.974 259 E CA 1.086 57.456 56.400 -0.050 0.000 0.808 259 E CB -0.343 29.328 29.700 -0.048 0.000 0.768 259 E HN 0.461 nan 8.360 nan 0.000 0.453 260 T N 0.520 114.917 114.554 -0.262 0.000 2.701 260 T HA -0.069 4.281 4.350 0.001 0.000 0.263 260 T C 0.263 174.574 174.700 -0.649 0.000 1.040 260 T CA 0.993 62.770 62.100 -0.538 0.000 1.147 260 T CB -0.198 68.165 68.868 -0.841 0.000 0.865 260 T HN 0.006 nan 8.240 nan 0.000 0.426 261 F N 1.763 121.560 119.950 -0.253 0.000 2.308 261 F HA 0.577 5.104 4.527 0.000 0.000 0.370 261 F C 0.982 176.725 175.800 -0.095 0.000 1.100 261 F CA -1.675 56.133 58.000 -0.321 0.000 1.108 261 F CB 0.278 38.732 39.000 -0.910 0.000 1.293 261 F HN 0.030 nan 8.300 nan 0.000 0.478 262 G N 1.202 110.089 108.800 0.145 0.000 2.634 262 G HA2 0.381 4.341 3.960 0.001 0.000 0.255 262 G HA3 0.381 4.341 3.960 0.001 0.000 0.255 262 G C 0.072 175.154 174.900 0.303 0.000 1.205 262 G CA -0.563 44.643 45.100 0.177 0.000 0.884 262 G HN 0.650 nan 8.290 nan 0.000 0.549 263 S N -0.986 114.826 115.700 0.187 0.000 2.596 263 S HA 0.587 5.057 4.470 0.001 0.000 0.260 263 S C -0.472 174.289 174.600 0.268 0.000 1.336 263 S CA 0.257 58.471 58.200 0.024 0.000 0.993 263 S CB 0.546 63.606 63.200 -0.233 0.000 0.923 263 S HN 1.340 nan 8.310 nan 0.000 0.567 264 W N -1.778 119.466 121.300 -0.094 0.000 2.989 264 W HA 0.680 5.340 4.660 0.001 0.000 0.344 264 W C -2.556 173.942 176.519 -0.035 0.000 1.233 264 W CA -1.455 55.907 57.345 0.028 0.000 1.187 264 W CB 0.240 29.717 29.460 0.029 0.000 1.443 264 W HN 0.557 nan 8.180 nan 0.000 0.573 265 Y N 2.019 122.532 120.300 0.355 0.000 2.387 265 Y HA 0.566 5.116 4.550 0.001 0.000 0.336 265 Y C 0.398 176.472 175.900 0.290 0.000 1.067 265 Y CA -0.677 57.557 58.100 0.225 0.000 1.114 265 Y CB 2.063 40.630 38.460 0.179 0.000 1.208 265 Y HN 0.391 nan 8.280 nan 0.000 0.458 266 Q N 4.209 124.207 119.800 0.331 0.000 2.359 266 Q HA 0.375 4.716 4.340 0.001 0.000 0.274 266 Q C -2.753 173.369 176.000 0.204 0.000 1.074 266 Q CA -2.500 53.468 55.803 0.275 0.000 0.810 266 Q CB 2.867 31.757 28.738 0.254 0.000 1.342 266 Q HN 0.326 nan 8.270 nan 0.000 0.427 267 P HA 0.090 nan 4.420 nan 0.000 0.271 267 P C -1.055 176.307 177.300 0.104 0.000 1.216 267 P CA -0.072 63.100 63.100 0.121 0.000 0.771 267 P CB 0.858 32.611 31.700 0.089 0.000 0.864 268 K N 1.717 122.173 120.400 0.094 0.000 2.557 268 K HA 0.516 4.836 4.320 0.001 0.000 0.257 268 K C 0.141 176.778 176.600 0.063 0.000 0.933 268 K CA 0.174 56.507 56.287 0.076 0.000 0.820 268 K CB 0.682 33.231 32.500 0.081 0.000 1.330 268 K HN 0.589 nan 8.250 nan 0.000 0.432 269 G N 1.474 110.300 108.800 0.043 0.000 2.132 269 G HA2 -0.143 3.818 3.960 0.001 0.000 0.234 269 G HA3 -0.143 3.818 3.960 0.001 0.000 0.234 269 G C 0.334 175.234 174.900 0.001 0.000 0.989 269 G CA -0.047 45.070 45.100 0.029 0.000 0.676 269 G HN 0.976 nan 8.290 nan 0.000 0.522 270 G N -0.351 108.446 108.800 -0.005 0.000 2.353 270 G HA2 0.609 4.569 3.960 0.001 0.000 0.284 270 G HA3 0.609 4.569 3.960 0.001 0.000 0.284 270 G C 0.925 175.811 174.900 -0.023 0.000 1.172 270 G CA 0.944 46.021 45.100 -0.038 0.000 0.854 270 G HN 1.010 nan 8.290 nan 0.000 0.485 271 T N -0.032 114.498 114.554 -0.040 0.000 3.044 271 T HA 0.170 4.521 4.350 0.001 0.000 0.237 271 T C 0.761 175.453 174.700 -0.014 0.000 1.001 271 T CA 0.075 62.162 62.100 -0.022 0.000 1.160 271 T CB -0.136 68.715 68.868 -0.028 0.000 0.889 271 T HN 0.519 nan 8.240 nan 0.000 0.442 272 E N 1.517 121.701 120.200 -0.027 0.000 2.404 272 E HA 0.344 4.695 4.350 0.001 0.000 0.261 272 E C -0.508 176.107 176.600 0.025 0.000 1.074 272 E CA -0.489 55.906 56.400 -0.009 0.000 0.917 272 E CB 0.447 30.134 29.700 -0.022 0.000 0.965 272 E HN 0.308 nan 8.360 nan 0.000 0.433 273 M N 2.867 122.487 119.600 0.034 0.000 2.216 273 M HA 0.235 4.716 4.480 0.001 0.000 0.356 273 M C -1.236 175.122 176.300 0.097 0.000 1.205 273 M CA -0.337 55.002 55.300 0.066 0.000 1.122 273 M CB 0.412 33.034 32.600 0.037 0.000 1.571 273 M HN 0.446 nan 8.290 nan 0.000 0.464 274 F N 5.468 125.417 119.950 -0.002 0.000 2.420 274 F HA 0.515 5.043 4.527 0.000 0.000 0.352 274 F C -1.028 174.756 175.800 -0.027 0.000 1.108 274 F CA -0.546 57.434 58.000 -0.034 0.000 1.162 274 F CB 0.332 39.302 39.000 -0.050 0.000 1.118 274 F HN 0.632 nan 8.300 nan 0.000 0.510 275 C N 5.498 124.335 119.300 -0.772 0.000 2.456 275 C HA 0.280 4.740 4.460 0.001 0.000 0.325 275 C C -0.212 174.312 174.990 -0.777 0.000 1.217 275 C CA -0.913 57.771 59.018 -0.556 0.000 1.687 275 C CB 0.659 28.235 27.740 -0.272 0.000 2.270 275 C HN 0.881 nan 8.230 nan 0.000 0.499 276 H N 2.860 121.637 119.070 -0.488 0.000 3.125 276 H HA 0.053 4.609 4.556 0.000 0.000 0.310 276 H C -1.641 173.518 175.328 -0.283 0.000 0.980 276 H CA -0.138 55.702 56.048 -0.347 0.000 1.422 276 H CB 0.813 30.482 29.762 -0.155 0.000 1.432 276 H HN 0.420 nan 8.280 nan 0.000 0.577 277 P HA -0.134 nan 4.420 nan 0.000 0.218 277 P C 1.328 178.663 177.300 0.059 0.000 1.149 277 P CA 1.108 64.154 63.100 -0.090 0.000 0.817 277 P CB 0.237 31.876 31.700 -0.102 0.000 0.785 278 R N -0.743 119.928 120.500 0.284 0.000 2.060 278 R HA -0.027 4.313 4.340 0.001 0.000 0.218 278 R C 2.003 178.341 176.300 0.064 0.000 1.200 278 R CA 1.986 58.203 56.100 0.196 0.000 0.935 278 R CB -1.081 29.373 30.300 0.257 0.000 0.814 278 R HN -0.035 nan 8.270 nan 0.000 0.460 279 T N -0.760 113.759 114.554 -0.058 0.000 2.788 279 T HA -0.024 4.326 4.350 0.001 0.000 0.268 279 T C 1.110 175.776 174.700 -0.056 0.000 1.044 279 T CA 1.620 63.641 62.100 -0.132 0.000 1.139 279 T CB -0.407 68.290 68.868 -0.285 0.000 0.867 279 T HN 0.744 nan 8.240 nan 0.000 0.454 280 G N 1.905 110.699 108.800 -0.010 0.000 2.157 280 G HA2 -0.262 3.698 3.960 0.001 0.000 0.239 280 G HA3 -0.262 3.698 3.960 0.001 0.000 0.239 280 G C 0.098 174.969 174.900 -0.049 0.000 0.982 280 G CA 0.360 45.437 45.100 -0.038 0.000 0.650 280 G HN 0.761 nan 8.290 nan 0.000 0.527 281 K N 0.554 120.933 120.400 -0.034 0.000 2.270 281 K HA 0.548 4.868 4.320 0.001 0.000 0.276 281 K C -2.680 173.905 176.600 -0.025 0.000 1.023 281 K CA -1.618 54.652 56.287 -0.028 0.000 0.955 281 K CB 1.117 33.601 32.500 -0.027 0.000 0.975 281 K HN 0.026 nan 8.250 nan 0.000 0.471 282 P HA -0.001 nan 4.420 nan 0.000 0.267 282 P C -1.033 176.295 177.300 0.047 0.000 1.205 282 P CA 0.084 63.180 63.100 -0.006 0.000 0.765 282 P CB 0.413 32.116 31.700 0.005 0.000 0.828 283 L N 6.667 127.943 121.223 0.088 0.000 2.426 283 L HA 0.287 4.627 4.340 0.001 0.000 0.255 283 L C -1.655 175.358 176.870 0.238 0.000 1.080 283 L CA -1.603 53.365 54.840 0.213 0.000 0.960 283 L CB 1.373 43.649 42.059 0.361 0.000 1.326 283 L HN 0.244 nan 8.230 nan 0.000 0.441 284 P HA -0.119 nan 4.420 nan 0.000 0.228 284 P C 1.105 178.472 177.300 0.112 0.000 1.151 284 P CA 0.869 64.039 63.100 0.117 0.000 0.770 284 P CB 0.200 31.943 31.700 0.073 0.000 0.786 285 K N -2.166 118.306 120.400 0.120 0.000 2.361 285 K HA 0.069 4.389 4.320 0.001 0.000 0.196 285 K C 0.470 177.067 176.600 -0.005 0.000 1.039 285 K CA 0.215 56.525 56.287 0.038 0.000 1.001 285 K CB -0.257 32.236 32.500 -0.011 0.000 0.795 285 K HN 0.270 nan 8.250 nan 0.000 0.495 286 Y N 1.602 121.953 120.300 0.084 0.000 2.307 286 Y HA 0.165 4.716 4.550 0.000 0.000 0.324 286 Y C -1.844 174.076 175.900 0.033 0.000 1.238 286 Y CA -2.300 55.832 58.100 0.054 0.000 1.280 286 Y CB 0.265 38.792 38.460 0.112 0.000 1.248 286 Y HN -0.079 nan 8.280 nan 0.000 0.508 287 P HA 0.015 nan 4.420 nan 0.000 0.267 287 P C -0.602 176.751 177.300 0.090 0.000 1.200 287 P CA -0.045 63.108 63.100 0.088 0.000 0.772 287 P CB 0.518 32.251 31.700 0.055 0.000 0.855 288 R N 2.294 122.832 120.500 0.064 0.000 2.643 288 R HA 0.257 4.597 4.340 0.001 0.000 0.270 288 R C 0.749 177.048 176.300 -0.002 0.000 1.061 288 R CA -0.064 56.066 56.100 0.051 0.000 1.107 288 R CB -0.202 30.115 30.300 0.029 0.000 0.999 288 R HN 0.583 nan 8.270 nan 0.000 0.460 289 I N -1.652 118.911 120.570 -0.012 0.000 3.709 289 I HA 0.528 4.699 4.170 0.001 0.000 0.274 289 I C -0.180 175.811 176.117 -0.211 0.000 1.240 289 I CA -0.933 60.298 61.300 -0.114 0.000 1.076 289 I CB 1.623 39.608 38.000 -0.025 0.000 1.389 289 I HN 0.108 nan 8.210 nan 0.000 0.529 290 K N 1.788 121.958 120.400 -0.383 0.000 2.762 290 K HA 0.294 4.614 4.320 0.001 0.000 0.272 290 K C -1.569 174.818 176.600 -0.354 0.000 1.093 290 K CA -0.250 55.788 56.287 -0.415 0.000 1.048 290 K CB 1.512 33.643 32.500 -0.616 0.000 1.304 290 K HN 0.851 nan 8.250 nan 0.000 0.511 291 T N 6.280 120.746 114.554 -0.146 0.000 2.737 291 T HA 0.281 4.631 4.350 0.001 0.000 0.296 291 T C -2.181 172.498 174.700 -0.036 0.000 0.922 291 T CA -0.966 61.105 62.100 -0.048 0.000 1.079 291 T CB 0.922 69.781 68.868 -0.016 0.000 0.892 291 T HN 0.347 nan 8.240 nan 0.000 0.514 292 P HA 0.340 nan 4.420 nan 0.000 0.274 292 P C 0.379 177.685 177.300 0.011 0.000 1.237 292 P CA -0.392 62.697 63.100 -0.019 0.000 0.793 292 P CB 0.930 32.615 31.700 -0.024 0.000 0.977 293 K N 1.043 121.448 120.400 0.007 0.000 2.350 293 K HA 0.225 4.545 4.320 0.001 0.000 0.196 293 K C 0.926 177.546 176.600 0.034 0.000 1.084 293 K CA 0.625 56.923 56.287 0.018 0.000 0.967 293 K CB -0.369 32.136 32.500 0.010 0.000 0.950 293 K HN 0.373 nan 8.250 nan 0.000 0.512 294 V N 0.853 120.792 119.914 0.041 0.000 2.481 294 V HA 0.752 4.873 4.120 0.001 0.000 0.286 294 V C 0.509 176.653 176.094 0.083 0.000 1.042 294 V CA -0.074 62.260 62.300 0.057 0.000 0.928 294 V CB 0.616 32.474 31.823 0.058 0.000 0.986 294 V HN 0.963 nan 8.190 nan 0.000 0.462 295 G N 2.518 111.362 108.800 0.074 0.000 2.435 295 G HA2 0.536 4.496 3.960 0.001 0.000 0.603 295 G HA3 0.536 4.496 3.960 0.001 0.000 0.603 295 G C -0.583 174.353 174.900 0.059 0.000 1.496 295 G CA -0.093 45.054 45.100 0.078 0.000 0.896 295 G HN 1.335 nan 8.290 nan 0.000 0.657 296 G N -0.735 108.088 108.800 0.038 0.000 2.550 296 G HA2 0.652 4.612 3.960 0.001 0.000 0.293 296 G HA3 0.652 4.612 3.960 0.001 0.000 0.293 296 G C 0.641 175.518 174.900 -0.038 0.000 1.402 296 G CA 0.150 45.267 45.100 0.029 0.000 0.784 296 G HN 0.969 nan 8.290 nan 0.000 0.482 297 I N -0.390 120.124 120.570 -0.094 0.000 2.179 297 I HA 0.140 4.310 4.170 0.001 0.000 0.242 297 I C 0.690 176.499 176.117 -0.513 0.000 1.088 297 I CA 1.284 62.362 61.300 -0.369 0.000 1.357 297 I CB -0.552 37.102 38.000 -0.576 0.000 1.051 297 I HN 0.293 nan 8.210 nan 0.000 0.409 298 F N -0.168 119.785 119.950 0.005 0.000 2.557 298 F HA 0.522 5.049 4.527 0.000 0.000 0.336 298 F C 0.499 176.303 175.800 0.006 0.000 1.058 298 F CA -1.252 56.750 58.000 0.003 0.000 0.988 298 F CB 0.587 39.589 39.000 0.003 0.000 1.275 298 F HN -0.351 nan 8.300 nan 0.000 0.488 299 K N 0.361 120.891 120.400 0.216 0.000 2.098 299 K HA 0.292 4.612 4.320 0.001 0.000 0.261 299 K C -0.518 176.146 176.600 0.107 0.000 0.987 299 K CA -1.089 55.270 56.287 0.119 0.000 0.916 299 K CB 1.173 33.722 32.500 0.083 0.000 1.039 299 K HN 0.459 nan 8.250 nan 0.000 0.455 300 K N 3.211 123.654 120.400 0.072 0.000 2.561 300 K HA -0.016 4.305 4.320 0.001 0.000 0.280 300 K C -1.696 174.923 176.600 0.032 0.000 0.975 300 K CA -0.922 55.394 56.287 0.049 0.000 1.024 300 K CB 0.186 32.708 32.500 0.036 0.000 0.883 300 K HN 0.373 nan 8.250 nan 0.000 0.496 309 G N 0.631 109.409 108.800 -0.036 0.000 3.058 309 G HA2 0.515 4.476 3.960 0.001 0.000 0.316 309 G HA3 0.515 4.476 3.960 0.001 0.000 0.316 309 G C 0.475 175.353 174.900 -0.036 0.000 0.951 309 G CA 0.406 45.485 45.100 -0.035 0.000 1.535 309 G HN 0.420 nan 8.290 nan 0.000 0.500 310 R N 0.812 121.283 120.500 -0.048 0.000 3.155 310 R HA -0.123 4.217 4.340 0.001 0.000 0.267 310 R C -0.110 176.165 176.300 -0.043 0.000 1.078 310 R CA 1.054 57.127 56.100 -0.045 0.000 0.712 310 R CB -2.611 27.670 30.300 -0.032 0.000 1.287 310 R HN 1.033 nan 8.270 nan 0.000 0.395 311 E N 0.226 120.393 120.200 -0.055 0.000 2.639 311 E HA 0.363 4.713 4.350 0.001 0.000 0.378 311 E C -2.738 173.824 176.600 -0.063 0.000 1.002 311 E CA -1.576 54.796 56.400 -0.045 0.000 0.747 311 E CB 1.292 30.974 29.700 -0.031 0.000 1.571 311 E HN 0.264 nan 8.360 nan 0.000 0.382 312 P HA -0.207 nan 4.420 nan 0.000 0.249 312 P C -0.383 176.860 177.300 -0.094 0.000 1.084 312 P CA 0.494 63.531 63.100 -0.105 0.000 0.773 312 P CB -0.056 31.623 31.700 -0.035 0.000 0.666 313 C N 2.995 122.174 119.300 -0.202 0.000 2.657 313 C HA 0.262 4.722 4.460 0.001 0.000 0.420 313 C C 1.489 176.536 174.990 0.095 0.000 1.323 313 C CA 0.101 59.061 59.018 -0.097 0.000 1.894 313 C CB -0.872 26.754 27.740 -0.191 0.000 2.681 313 C HN 0.699 nan 8.230 nan 0.000 0.613 314 E N 4.143 124.408 120.200 0.110 0.000 2.417 314 E HA 0.247 4.597 4.350 0.001 0.000 0.261 314 E C -0.116 176.614 176.600 0.217 0.000 1.000 314 E CA -0.076 56.405 56.400 0.136 0.000 0.919 314 E CB 0.171 29.916 29.700 0.076 0.000 0.955 314 E HN 0.692 nan 8.360 nan 0.000 0.455 315 L N 2.381 123.721 121.223 0.195 0.000 2.514 315 L HA 0.054 4.395 4.340 0.001 0.000 0.280 315 L C 0.614 177.492 176.870 0.013 0.000 1.223 315 L CA -0.123 54.761 54.840 0.073 0.000 0.864 315 L CB 0.865 42.909 42.059 -0.025 0.000 1.118 315 L HN 0.700 nan 8.230 nan 0.000 0.494 316 D N 1.896 122.269 120.400 -0.045 0.000 2.374 316 D HA 0.035 4.675 4.640 0.001 0.000 0.240 316 D C 0.974 177.237 176.300 -0.063 0.000 1.229 316 D CA -0.113 53.869 54.000 -0.030 0.000 0.895 316 D CB 1.124 41.911 40.800 -0.022 0.000 1.046 316 D HN 0.466 nan 8.370 nan 0.000 0.498 317 T N 2.568 117.096 114.554 -0.045 0.000 3.052 317 T HA -0.075 4.275 4.350 0.001 0.000 0.270 317 T C 1.348 176.000 174.700 -0.080 0.000 1.147 317 T CA 0.919 62.982 62.100 -0.061 0.000 1.089 317 T CB -0.492 68.351 68.868 -0.042 0.000 0.875 317 T HN 0.551 nan 8.240 nan 0.000 0.541 318 R N 1.712 122.172 120.500 -0.066 0.000 2.638 318 R HA 0.077 4.417 4.340 0.001 0.000 0.268 318 R C 1.098 177.302 176.300 -0.160 0.000 1.006 318 R CA 0.639 56.693 56.100 -0.077 0.000 1.088 318 R CB -0.582 29.709 30.300 -0.015 0.000 0.950 318 R HN 0.659 nan 8.270 nan 0.000 0.419 319 E N 0.073 120.096 120.200 -0.295 0.000 2.435 319 E HA 0.011 4.362 4.350 0.001 0.000 0.195 319 E C -0.616 175.610 176.600 -0.624 0.000 1.029 319 E CA 0.444 56.536 56.400 -0.513 0.000 0.865 319 E CB 0.111 29.379 29.700 -0.719 0.000 0.833 319 E HN 0.736 nan 8.360 nan 0.000 0.510 320 Y N -1.240 119.007 120.300 -0.088 0.000 2.650 320 Y HA 0.544 5.094 4.550 0.000 0.000 0.331 320 Y C -0.412 175.466 175.900 -0.036 0.000 1.082 320 Y CA -1.245 56.811 58.100 -0.074 0.000 1.171 320 Y CB 1.715 40.153 38.460 -0.037 0.000 1.326 320 Y HN -0.370 nan 8.280 nan 0.000 0.513 321 V N 1.214 121.242 119.914 0.190 0.000 2.577 321 V HA 0.544 4.665 4.120 0.001 0.000 0.294 321 V C -0.506 175.652 176.094 0.106 0.000 1.052 321 V CA -1.462 60.900 62.300 0.103 0.000 0.891 321 V CB 1.261 33.117 31.823 0.055 0.000 1.017 321 V HN 0.943 nan 8.190 nan 0.000 0.436 322 A N 3.503 126.374 122.820 0.085 0.000 2.580 322 A HA 0.487 4.807 4.320 0.001 0.000 0.244 322 A C 1.595 179.214 177.584 0.059 0.000 1.045 322 A CA 1.390 53.467 52.037 0.066 0.000 0.761 322 A CB -0.389 18.642 19.000 0.051 0.000 0.962 322 A HN 2.330 nan 8.150 nan 0.000 0.512 323 G N 1.472 110.305 108.800 0.054 0.000 2.475 323 G HA2 0.149 4.109 3.960 0.001 0.000 0.209 323 G HA3 0.149 4.109 3.960 0.001 0.000 0.209 323 G C 0.718 175.655 174.900 0.061 0.000 1.127 323 G CA 0.284 45.412 45.100 0.047 0.000 0.681 323 G HN 2.321 nan 8.290 nan 0.000 0.517 324 A N 3.579 126.449 122.820 0.082 0.000 2.410 324 A HA 0.633 4.953 4.320 0.001 0.000 0.292 324 A C -1.219 176.456 177.584 0.152 0.000 1.232 324 A CA -0.278 51.821 52.037 0.102 0.000 0.893 324 A CB 0.032 19.091 19.000 0.097 0.000 1.131 324 A HN 0.425 nan 8.150 nan 0.000 0.530 325 P HA 0.426 nan 4.420 nan 0.000 0.277 325 P C -1.152 176.261 177.300 0.189 0.000 1.240 325 P CA 0.186 63.360 63.100 0.122 0.000 0.798 325 P CB 0.701 32.461 31.700 0.101 0.000 0.979 326 Y N -2.455 117.860 120.300 0.025 0.000 2.655 326 Y HA 0.639 5.189 4.550 0.000 0.000 0.336 326 Y C -1.051 174.849 175.900 0.000 0.000 1.154 326 Y CA -1.132 56.976 58.100 0.014 0.000 1.055 326 Y CB 0.484 38.978 38.460 0.057 0.000 1.295 326 Y HN 0.142 nan 8.280 nan 0.000 0.465 327 T N 3.934 118.540 114.554 0.086 0.000 2.770 327 T HA 0.429 4.780 4.350 0.001 0.000 0.297 327 T C -2.781 172.000 174.700 0.134 0.000 0.997 327 T CA -1.303 60.791 62.100 -0.010 0.000 0.949 327 T CB 0.836 69.702 68.868 -0.004 0.000 0.941 327 T HN 0.371 nan 8.240 nan 0.000 0.457 328 P HA 0.270 nan 4.420 nan 0.000 0.268 328 P C -0.691 176.705 177.300 0.160 0.000 1.204 328 P CA -0.346 62.868 63.100 0.191 0.000 0.768 328 P CB 0.529 32.280 31.700 0.086 0.000 0.842 329 V N -0.029 120.003 119.914 0.197 0.000 3.114 329 V HA 0.745 4.865 4.120 0.001 0.000 0.308 329 V C -0.789 175.455 176.094 0.250 0.000 1.168 329 V CA -1.174 61.257 62.300 0.218 0.000 1.015 329 V CB 2.358 34.332 31.823 0.251 0.000 1.050 329 V HN 0.611 nan 8.190 nan 0.000 0.433 330 E N 1.251 121.590 120.200 0.232 0.000 2.256 330 E HA 0.484 4.835 4.350 0.001 0.000 0.267 330 E C -1.152 175.488 176.600 0.067 0.000 0.892 330 E CA -0.801 55.689 56.400 0.151 0.000 0.775 330 E CB 2.264 32.001 29.700 0.062 0.000 1.207 330 E HN 0.944 nan 8.360 nan 0.000 0.420 331 H N 2.072 121.008 119.070 -0.223 0.000 2.562 331 H HA 0.358 4.914 4.556 0.001 0.000 0.314 331 H C -1.013 174.020 175.328 -0.493 0.000 1.079 331 H CA -0.868 54.796 56.048 -0.640 0.000 1.349 331 H CB 1.649 31.046 29.762 -0.609 0.000 1.432 331 H HN 0.404 nan 8.280 nan 0.000 0.479 332 V N 5.447 124.790 119.914 -0.950 0.000 2.604 332 V HA 0.422 4.542 4.120 0.001 0.000 0.305 332 V C -1.141 174.239 176.094 -1.189 0.000 1.043 332 V CA -0.581 61.141 62.300 -0.963 0.000 0.888 332 V CB 1.552 32.824 31.823 -0.917 0.000 0.995 332 V HN 0.487 nan 8.190 nan 0.000 0.429 333 V N 6.568 126.041 119.914 -0.736 0.000 2.481 333 V HA 0.364 4.484 4.120 0.001 0.000 0.286 333 V C 0.175 176.109 176.094 -0.267 0.000 1.042 333 V CA -0.549 61.472 62.300 -0.465 0.000 0.928 333 V CB 1.323 32.996 31.823 -0.249 0.000 0.986 333 V HN 0.903 nan 8.190 nan 0.000 0.462 334 F N 5.094 124.937 119.950 -0.179 0.000 2.612 334 F HA 0.078 4.605 4.527 0.001 0.000 0.389 334 F C 0.557 176.450 175.800 0.155 0.000 1.055 334 F CA 0.482 58.551 58.000 0.117 0.000 1.232 334 F CB 0.112 39.255 39.000 0.238 0.000 1.044 334 F HN 0.604 nan 8.300 nan 0.000 0.560 335 N N 8.252 126.759 118.700 -0.320 0.000 2.518 335 N HA 0.351 5.092 4.740 0.001 0.000 0.254 335 N C -2.280 172.710 175.510 -0.866 0.000 0.979 335 N CA -2.454 50.317 53.050 -0.464 0.000 0.930 335 N CB 1.699 39.991 38.487 -0.326 0.000 1.152 335 N HN 0.211 nan 8.380 nan 0.000 0.505 336 P HA -0.025 nan 4.420 nan 0.000 0.223 336 P C 0.663 177.707 177.300 -0.427 0.000 1.144 336 P CA 0.963 63.589 63.100 -0.789 0.000 0.783 336 P CB 0.463 31.457 31.700 -1.176 0.000 0.771 337 S N -1.744 113.783 115.700 -0.288 0.000 2.528 337 S HA 0.036 4.506 4.470 0.001 0.000 0.219 337 S C 1.006 175.509 174.600 -0.162 0.000 0.985 337 S CA 0.096 58.248 58.200 -0.081 0.000 0.914 337 S CB -0.379 62.838 63.200 0.028 0.000 0.776 337 S HN 0.098 nan 8.310 nan 0.000 0.526 338 S N 1.898 117.415 115.700 -0.306 0.000 2.439 338 S HA 0.235 4.705 4.470 0.001 0.000 0.282 338 S C 1.192 175.681 174.600 -0.184 0.000 1.170 338 S CA -0.761 57.246 58.200 -0.322 0.000 1.054 338 S CB 0.267 63.038 63.200 -0.715 0.000 0.956 338 S HN 0.154 nan 8.310 nan 0.000 0.490 339 R N 3.513 123.955 120.500 -0.096 0.000 2.148 339 R HA -0.053 4.287 4.340 0.001 0.000 0.227 339 R C 1.432 177.742 176.300 0.016 0.000 1.103 339 R CA 1.231 57.313 56.100 -0.030 0.000 0.983 339 R CB -0.916 29.378 30.300 -0.010 0.000 0.874 339 R HN 0.714 nan 8.270 nan 0.000 0.451 340 D N -0.126 120.284 120.400 0.017 0.000 2.084 340 D HA -0.115 4.525 4.640 0.001 0.000 0.196 340 D C 1.785 178.198 176.300 0.188 0.000 0.985 340 D CA 1.285 55.342 54.000 0.096 0.000 0.826 340 D CB -0.025 40.841 40.800 0.111 0.000 0.978 340 D HN 0.407 nan 8.370 nan 0.000 0.456 341 H N -0.307 118.790 119.070 0.044 0.000 2.290 341 H HA -0.095 4.461 4.556 0.001 0.000 0.298 341 H C 2.379 177.768 175.328 0.103 0.000 1.087 341 H CA 1.044 57.158 56.048 0.109 0.000 1.291 341 H CB 0.007 29.778 29.762 0.014 0.000 1.369 341 H HN 0.194 nan 8.280 nan 0.000 0.492 342 I N 0.922 121.596 120.570 0.173 0.000 2.208 342 I HA -0.318 3.852 4.170 0.001 0.000 0.245 342 I C 2.880 179.023 176.117 0.044 0.000 1.097 342 I CA 1.160 62.517 61.300 0.096 0.000 1.363 342 I CB -0.335 37.672 38.000 0.013 0.000 1.051 342 I HN 0.380 nan 8.210 nan 0.000 0.413 343 Q N 2.101 121.964 119.800 0.105 0.000 2.050 343 Q HA -0.284 4.056 4.340 0.001 0.000 0.202 343 Q C 2.119 178.195 176.000 0.126 0.000 0.980 343 Q CA 2.045 57.966 55.803 0.196 0.000 0.840 343 Q CB -0.241 28.588 28.738 0.152 0.000 0.898 343 Q HN 0.489 nan 8.270 nan 0.000 0.424 344 K N -0.024 120.391 120.400 0.025 0.000 2.009 344 K HA -0.159 4.161 4.320 0.001 0.000 0.210 344 K C 2.154 178.670 176.600 -0.141 0.000 1.049 344 K CA 1.432 57.663 56.287 -0.094 0.000 0.929 344 K CB 0.008 32.371 32.500 -0.229 0.000 0.714 344 K HN 0.001 nan 8.250 nan 0.000 0.440 345 K N 0.857 121.135 120.400 -0.204 0.000 2.057 345 K HA -0.108 4.212 4.320 0.001 0.000 0.207 345 K C 2.205 178.724 176.600 -0.134 0.000 1.049 345 K CA 1.154 57.272 56.287 -0.281 0.000 0.931 345 K CB -0.334 31.742 32.500 -0.707 0.000 0.714 345 K HN 0.291 nan 8.250 nan 0.000 0.440 346 L N 0.928 122.111 121.223 -0.067 0.000 2.093 346 L HA -0.157 4.183 4.340 0.001 0.000 0.208 346 L C 2.555 179.587 176.870 0.270 0.000 1.085 346 L CA 1.128 56.022 54.840 0.090 0.000 0.755 346 L CB -0.373 41.701 42.059 0.025 0.000 0.904 346 L HN 0.250 nan 8.230 nan 0.000 0.435 347 Q N -0.105 119.853 119.800 0.262 0.000 2.167 347 Q HA -0.200 4.140 4.340 0.001 0.000 0.202 347 Q C 1.828 177.869 176.000 0.069 0.000 0.970 347 Q CA 1.081 56.974 55.803 0.150 0.000 0.855 347 Q CB 0.015 28.765 28.738 0.020 0.000 0.911 347 Q HN 0.519 nan 8.270 nan 0.000 0.438 348 E N -0.019 120.199 120.200 0.030 0.000 2.409 348 E HA -0.083 4.268 4.350 0.001 0.000 0.198 348 E C 0.962 177.584 176.600 0.037 0.000 1.024 348 E CA 0.516 56.917 56.400 0.001 0.000 0.861 348 E CB 0.166 29.837 29.700 -0.049 0.000 0.788 348 E HN 0.245 nan 8.360 nan 0.000 0.521 349 A N -0.453 122.414 122.820 0.078 0.000 2.423 349 A HA 0.401 4.721 4.320 0.001 0.000 0.246 349 A C 1.383 179.027 177.584 0.101 0.000 1.278 349 A CA 0.514 52.606 52.037 0.092 0.000 0.903 349 A CB 0.179 19.252 19.000 0.121 0.000 0.997 349 A HN 0.258 nan 8.150 nan 0.000 0.510 350 G N -1.953 106.908 108.800 0.101 0.000 2.176 350 G HA2 -0.266 3.695 3.960 0.001 0.000 0.232 350 G HA3 -0.266 3.695 3.960 0.001 0.000 0.232 350 G C -0.077 174.916 174.900 0.155 0.000 0.986 350 G CA 0.023 45.181 45.100 0.096 0.000 0.643 350 G HN 0.901 nan 8.290 nan 0.000 0.522 351 W N 1.662 122.959 121.300 -0.005 0.000 2.253 351 W HA 0.536 5.196 4.660 0.001 0.000 0.322 351 W C -0.055 176.462 176.519 -0.003 0.000 1.342 351 W CA -0.702 56.638 57.345 -0.007 0.000 1.218 351 W CB 0.925 30.374 29.460 -0.018 0.000 1.205 351 W HN 0.303 nan 8.180 nan 0.000 0.551 352 V N 9.743 129.438 119.914 -0.366 0.000 2.277 352 V HA 0.196 4.316 4.120 0.001 0.000 0.269 352 V C -1.839 173.770 176.094 -0.809 0.000 1.036 352 V CA -1.927 60.090 62.300 -0.473 0.000 0.821 352 V CB 0.480 32.209 31.823 -0.156 0.000 1.052 352 V HN 0.449 nan 8.190 nan 0.000 0.462 353 P HA 0.098 nan 4.420 nan 0.000 0.262 353 P C 0.817 177.925 177.300 -0.321 0.000 1.182 353 P CA 0.581 63.035 63.100 -1.076 0.000 0.761 353 P CB 0.849 31.839 31.700 -1.182 0.000 0.795 354 T N 2.177 116.651 114.554 -0.133 0.000 2.898 354 T HA 0.020 4.371 4.350 0.001 0.000 0.241 354 T C 0.554 175.322 174.700 0.114 0.000 1.024 354 T CA 0.696 62.818 62.100 0.038 0.000 1.174 354 T CB 0.016 68.927 68.868 0.071 0.000 0.873 354 T HN 0.444 nan 8.240 nan 0.000 0.422 355 K N 0.748 121.174 120.400 0.044 0.000 2.159 355 K HA 0.518 4.838 4.320 0.001 0.000 0.266 355 K C -1.479 175.104 176.600 -0.028 0.000 0.975 355 K CA -0.644 55.700 56.287 0.094 0.000 0.865 355 K CB 1.271 33.814 32.500 0.073 0.000 1.087 355 K HN 0.147 nan 8.250 nan 0.000 0.446 356 Y N 0.148 120.454 120.300 0.009 0.000 2.730 356 Y HA 0.319 4.869 4.550 0.001 0.000 0.325 356 Y C 0.763 176.674 175.900 0.018 0.000 1.132 356 Y CA -0.786 57.319 58.100 0.008 0.000 1.206 356 Y CB 1.609 40.059 38.460 -0.016 0.000 1.390 356 Y HN 0.803 nan 8.280 nan 0.000 0.555 357 T N -2.798 111.869 114.554 0.189 0.000 2.948 357 T HA 0.285 4.636 4.350 0.001 0.000 0.285 357 T C -0.330 174.428 174.700 0.096 0.000 1.019 357 T CA -0.945 61.221 62.100 0.109 0.000 1.013 357 T CB 0.895 69.810 68.868 0.078 0.000 1.117 357 T HN 0.426 nan 8.240 nan 0.000 0.533 358 D N 1.041 121.479 120.400 0.064 0.000 2.848 358 D HA 0.151 4.791 4.640 0.001 0.000 0.232 358 D C 0.581 176.905 176.300 0.041 0.000 1.107 358 D CA 0.412 54.439 54.000 0.045 0.000 1.020 358 D CB 0.014 40.835 40.800 0.035 0.000 1.148 358 D HN 0.667 nan 8.370 nan 0.000 0.453 359 K N -1.128 119.302 120.400 0.050 0.000 2.509 359 K HA 0.092 4.412 4.320 0.001 0.000 0.168 359 K C 0.803 177.435 176.600 0.053 0.000 1.582 359 K CA 0.445 56.758 56.287 0.043 0.000 1.067 359 K CB 0.342 32.867 32.500 0.042 0.000 1.432 359 K HN 0.167 nan 8.250 nan 0.000 0.541 360 G N 0.782 109.625 108.800 0.073 0.000 2.143 360 G HA2 -0.255 3.706 3.960 0.001 0.000 0.249 360 G HA3 -0.255 3.706 3.960 0.001 0.000 0.249 360 G C -0.037 174.988 174.900 0.207 0.000 0.981 360 G CA 0.256 45.408 45.100 0.087 0.000 0.665 360 G HN 0.520 nan 8.290 nan 0.000 0.528 361 A N 0.959 123.897 122.820 0.197 0.000 2.301 361 A HA 0.829 5.149 4.320 0.001 0.000 0.312 361 A C -1.756 175.899 177.584 0.119 0.000 1.182 361 A CA -1.419 50.718 52.037 0.167 0.000 0.826 361 A CB 1.326 20.378 19.000 0.087 0.000 1.134 361 A HN 0.191 nan 8.150 nan 0.000 0.501 362 P HA 0.156 nan 4.420 nan 0.000 0.271 362 P C -0.205 177.014 177.300 -0.136 0.000 1.216 362 P CA 0.071 62.878 63.100 -0.489 0.000 0.771 362 P CB 0.813 32.179 31.700 -0.556 0.000 0.864 363 V N 4.297 124.144 119.914 -0.113 0.000 2.585 363 V HA -0.013 4.107 4.120 0.001 0.000 0.296 363 V C 1.048 177.184 176.094 0.069 0.000 1.035 363 V CA 0.503 62.807 62.300 0.006 0.000 1.084 363 V CB 0.884 32.719 31.823 0.020 0.000 0.953 363 V HN 0.320 nan 8.190 nan 0.000 0.483 364 V N 4.598 124.539 119.914 0.045 0.000 2.468 364 V HA 0.239 4.359 4.120 0.001 0.000 0.256 364 V C -0.249 175.844 176.094 -0.002 0.000 0.998 364 V CA -0.732 61.581 62.300 0.022 0.000 1.114 364 V CB 0.468 32.303 31.823 0.021 0.000 1.378 364 V HN 1.073 nan 8.190 nan 0.000 0.573 365 D N -1.319 119.083 120.400 0.003 0.000 2.564 365 D HA 0.244 4.884 4.640 0.001 0.000 0.273 365 D C 0.864 177.158 176.300 -0.009 0.000 1.192 365 D CA -0.656 53.345 54.000 0.003 0.000 1.080 365 D CB 0.973 41.781 40.800 0.015 0.000 1.160 365 D HN 0.000 nan 8.370 nan 0.000 0.607 366 D N -1.330 119.070 120.400 -0.000 0.000 2.219 366 D HA -0.106 4.535 4.640 0.001 0.000 0.205 366 D C 1.487 177.782 176.300 -0.008 0.000 0.970 366 D CA 1.015 55.012 54.000 -0.004 0.000 0.851 366 D CB 0.222 41.027 40.800 0.008 0.000 0.943 366 D HN 0.477 nan 8.370 nan 0.000 0.488 367 E N -0.283 119.920 120.200 0.004 0.000 2.031 367 E HA -0.178 4.172 4.350 0.001 0.000 0.193 367 E C 2.420 179.020 176.600 0.001 0.000 0.994 367 E CA 1.530 57.936 56.400 0.009 0.000 0.800 367 E CB -0.147 29.567 29.700 0.024 0.000 0.752 367 E HN 0.335 nan 8.360 nan 0.000 0.447 368 V N -0.109 119.805 119.914 0.000 0.000 2.307 368 V HA -0.221 3.899 4.120 0.001 0.000 0.245 368 V C 2.238 178.265 176.094 -0.111 0.000 1.045 368 V CA 1.368 63.663 62.300 -0.007 0.000 1.024 368 V CB -0.824 31.029 31.823 0.049 0.000 0.651 368 V HN 0.190 nan 8.190 nan 0.000 0.449 369 L N 0.220 121.359 121.223 -0.140 0.000 2.013 369 L HA -0.217 4.123 4.340 0.001 0.000 0.212 369 L C 2.902 179.692 176.870 -0.134 0.000 1.073 369 L CA 2.420 57.147 54.840 -0.189 0.000 0.753 369 L CB -0.760 41.226 42.059 -0.122 0.000 0.890 369 L HN 0.476 nan 8.230 nan 0.000 0.432 370 E N 0.422 120.579 120.200 -0.071 0.000 2.265 370 E HA -0.159 4.192 4.350 0.001 0.000 0.196 370 E C 1.827 178.401 176.600 -0.043 0.000 0.996 370 E CA 1.340 57.714 56.400 -0.044 0.000 0.832 370 E CB -0.200 29.489 29.700 -0.018 0.000 0.756 370 E HN 0.375 nan 8.360 nan 0.000 0.491 371 G N -0.632 108.140 108.800 -0.048 0.000 3.020 371 G HA2 0.108 4.068 3.960 0.001 0.000 0.217 371 G HA3 0.108 4.068 3.960 0.001 0.000 0.217 371 G C 0.151 175.026 174.900 -0.040 0.000 1.144 371 G CA -0.018 45.069 45.100 -0.021 0.000 0.760 371 G HN 0.095 nan 8.290 nan 0.000 0.548 372 V N 1.637 121.458 119.914 -0.155 0.000 2.763 372 V HA 0.313 4.434 4.120 0.001 0.000 0.306 372 V C -0.014 176.010 176.094 -0.117 0.000 1.059 372 V CA 0.049 62.187 62.300 -0.270 0.000 1.138 372 V CB 0.958 32.403 31.823 -0.630 0.000 0.940 372 V HN 0.188 nan 8.190 nan 0.000 0.489 373 R N 3.206 123.690 120.500 -0.026 0.000 2.502 373 R HA 0.586 4.927 4.340 0.001 0.000 0.298 373 R C -1.116 175.219 176.300 0.059 0.000 1.018 373 R CA -0.413 55.699 56.100 0.020 0.000 0.899 373 R CB 1.795 32.122 30.300 0.045 0.000 1.181 373 R HN 0.622 nan 8.270 nan 0.000 0.444 374 V N -1.169 118.768 119.914 0.039 0.000 2.960 374 V HA 0.497 4.617 4.120 0.001 0.000 0.315 374 V C 0.665 176.782 176.094 0.039 0.000 1.087 374 V CA -0.796 61.540 62.300 0.059 0.000 0.982 374 V CB 2.491 34.352 31.823 0.064 0.000 1.039 374 V HN 0.472 nan 8.190 nan 0.000 0.437 375 D N 0.781 121.205 120.400 0.040 0.000 2.097 375 D HA -0.079 4.561 4.640 0.001 0.000 0.197 375 D C 0.631 176.938 176.300 0.013 0.000 0.984 375 D CA 1.968 55.983 54.000 0.025 0.000 0.826 375 D CB 0.089 40.904 40.800 0.024 0.000 0.973 375 D HN 0.945 nan 8.370 nan 0.000 0.460 376 D N 1.548 121.955 120.400 0.012 0.000 2.363 376 D HA -0.022 4.618 4.640 0.001 0.000 0.263 376 D C -1.375 174.917 176.300 -0.014 0.000 1.258 376 D CA -1.273 52.723 54.000 -0.006 0.000 0.907 376 D CB 1.280 42.072 40.800 -0.014 0.000 1.107 376 D HN -0.021 nan 8.370 nan 0.000 0.495 377 P HA -0.211 nan 4.420 nan 0.000 0.218 377 P C 1.032 178.310 177.300 -0.036 0.000 1.146 377 P CA 1.015 64.102 63.100 -0.021 0.000 0.813 377 P CB 0.351 32.040 31.700 -0.018 0.000 0.778 378 E N 0.736 120.901 120.200 -0.059 0.000 2.046 378 E HA -0.144 4.206 4.350 0.001 0.000 0.190 378 E C 1.995 178.523 176.600 -0.120 0.000 0.982 378 E CA 0.999 57.342 56.400 -0.094 0.000 0.800 378 E CB -0.081 29.543 29.700 -0.127 0.000 0.756 378 E HN 0.161 nan 8.360 nan 0.000 0.449 379 K N 0.231 120.559 120.400 -0.120 0.000 2.097 379 K HA -0.195 4.126 4.320 0.001 0.000 0.205 379 K C 2.264 178.879 176.600 0.026 0.000 1.050 379 K CA 1.261 57.505 56.287 -0.071 0.000 0.938 379 K CB -0.103 32.415 32.500 0.030 0.000 0.718 379 K HN 0.008 nan 8.250 nan 0.000 0.442 380 Q N 1.119 120.921 119.800 0.002 0.000 2.135 380 Q HA -0.112 4.228 4.340 0.001 0.000 0.204 380 Q C 1.726 177.726 176.000 -0.001 0.000 0.981 380 Q CA 1.913 57.717 55.803 0.002 0.000 0.856 380 Q CB -0.183 28.553 28.738 -0.004 0.000 0.902 380 Q HN 0.310 nan 8.270 nan 0.000 0.425 381 A N -0.401 122.413 122.820 -0.011 0.000 2.021 381 A HA 0.262 4.582 4.320 0.001 0.000 0.216 381 A C 2.149 179.739 177.584 0.010 0.000 1.163 381 A CA 1.044 53.077 52.037 -0.007 0.000 0.676 381 A CB -0.659 18.329 19.000 -0.019 0.000 0.818 381 A HN 0.458 nan 8.150 nan 0.000 0.453 382 A N 0.053 122.881 122.820 0.012 0.000 2.067 382 A HA 0.026 4.347 4.320 0.001 0.000 0.219 382 A C 1.916 179.579 177.584 0.130 0.000 1.158 382 A CA 1.088 53.166 52.037 0.069 0.000 0.661 382 A CB -0.575 18.454 19.000 0.048 0.000 0.801 382 A HN 0.496 nan 8.150 nan 0.000 0.452 383 I N -0.296 120.324 120.570 0.084 0.000 2.361 383 I HA -0.209 3.962 4.170 0.001 0.000 0.251 383 I C 1.615 177.754 176.117 0.036 0.000 1.133 383 I CA 1.230 62.553 61.300 0.038 0.000 1.413 383 I CB -0.280 37.702 38.000 -0.030 0.000 1.073 383 I HN 0.263 nan 8.210 nan 0.000 0.424 384 D N 0.669 121.092 120.400 0.038 0.000 2.194 384 D HA -0.048 4.593 4.640 0.001 0.000 0.204 384 D C 2.388 178.731 176.300 0.072 0.000 0.964 384 D CA 0.991 55.016 54.000 0.041 0.000 0.846 384 D CB 0.065 40.883 40.800 0.030 0.000 0.962 384 D HN 0.314 nan 8.370 nan 0.000 0.490 385 L N 0.568 121.845 121.223 0.091 0.000 2.141 385 L HA -0.087 4.254 4.340 0.001 0.000 0.209 385 L C 2.475 179.450 176.870 0.175 0.000 1.094 385 L CA 0.637 55.553 54.840 0.128 0.000 0.763 385 L CB -0.289 41.845 42.059 0.126 0.000 0.908 385 L HN 0.006 nan 8.230 nan 0.000 0.437 386 I N -0.344 120.319 120.570 0.155 0.000 2.252 386 I HA -0.235 3.935 4.170 0.001 0.000 0.245 386 I C 2.603 178.807 176.117 0.146 0.000 1.102 386 I CA 1.028 62.420 61.300 0.154 0.000 1.385 386 I CB -0.266 37.802 38.000 0.114 0.000 1.064 386 I HN 0.208 nan 8.210 nan 0.000 0.414 387 K N 0.723 121.181 120.400 0.098 0.000 2.009 387 K HA -0.267 4.053 4.320 0.001 0.000 0.210 387 K C 1.990 178.654 176.600 0.107 0.000 1.049 387 K CA 1.686 58.020 56.287 0.077 0.000 0.929 387 K CB -0.483 32.045 32.500 0.047 0.000 0.714 387 K HN 0.395 nan 8.250 nan 0.000 0.440 388 E N 0.171 120.443 120.200 0.120 0.000 2.058 388 E HA -0.240 4.111 4.350 0.001 0.000 0.194 388 E C 2.090 178.780 176.600 0.149 0.000 0.997 388 E CA 1.156 57.632 56.400 0.127 0.000 0.801 388 E CB -0.208 29.567 29.700 0.124 0.000 0.746 388 E HN 0.283 nan 8.360 nan 0.000 0.450 389 Y N 1.101 121.439 120.300 0.063 0.000 2.128 389 Y HA -0.241 4.309 4.550 0.001 0.000 0.284 389 Y C 2.004 177.922 175.900 0.030 0.000 1.154 389 Y CA 1.808 59.940 58.100 0.052 0.000 1.149 389 Y CB -0.225 38.275 38.460 0.065 0.000 0.976 389 Y HN 0.048 nan 8.280 nan 0.000 0.505 390 L N -0.555 120.826 121.223 0.264 0.000 2.046 390 L HA -0.274 4.066 4.340 0.001 0.000 0.208 390 L C 2.716 179.614 176.870 0.047 0.000 1.077 390 L CA 1.605 56.536 54.840 0.152 0.000 0.747 390 L CB -0.597 41.531 42.059 0.115 0.000 0.896 390 L HN 0.368 nan 8.230 nan 0.000 0.432 391 M N 0.002 119.635 119.600 0.054 0.000 2.117 391 M HA -0.202 4.279 4.480 0.001 0.000 0.262 391 M C 2.332 178.636 176.300 0.006 0.000 1.065 391 M CA 1.895 57.222 55.300 0.044 0.000 1.114 391 M CB -0.201 32.448 32.600 0.081 0.000 1.361 391 M HN 0.146 nan 8.290 nan 0.000 0.408 392 I N 0.690 121.242 120.570 -0.030 0.000 2.264 392 I HA -0.292 3.878 4.170 0.001 0.000 0.248 392 I C 2.452 178.456 176.117 -0.188 0.000 1.111 392 I CA 1.330 62.553 61.300 -0.128 0.000 1.382 392 I CB -1.530 36.357 38.000 -0.189 0.000 1.060 392 I HN 0.407 nan 8.210 nan 0.000 0.418 393 Q N 0.656 120.333 119.800 -0.204 0.000 2.079 393 Q HA -0.214 4.126 4.340 0.001 0.000 0.200 393 Q C 2.197 178.123 176.000 -0.123 0.000 0.974 393 Q CA 1.330 57.027 55.803 -0.176 0.000 0.840 393 Q CB -0.242 28.418 28.738 -0.130 0.000 0.898 393 Q HN 0.301 nan 8.270 nan 0.000 0.430 394 K N 0.479 120.826 120.400 -0.088 0.000 2.063 394 K HA -0.122 4.198 4.320 0.001 0.000 0.208 394 K C 1.940 178.464 176.600 -0.127 0.000 1.048 394 K CA 1.239 57.477 56.287 -0.082 0.000 0.928 394 K CB 0.053 32.530 32.500 -0.039 0.000 0.713 394 K HN 0.003 nan 8.250 nan 0.000 0.442 395 R N 0.124 120.548 120.500 -0.126 0.000 2.075 395 R HA 0.007 4.347 4.340 0.001 0.000 0.232 395 R C 2.431 178.586 176.300 -0.242 0.000 1.126 395 R CA 1.382 57.379 56.100 -0.172 0.000 0.963 395 R CB -0.719 29.481 30.300 -0.166 0.000 0.858 395 R HN 0.326 nan 8.270 nan 0.000 0.435 396 I N 0.167 120.617 120.570 -0.199 0.000 2.179 396 I HA -0.172 3.998 4.170 0.001 0.000 0.242 396 I C 2.506 178.476 176.117 -0.246 0.000 1.088 396 I CA 1.567 62.761 61.300 -0.177 0.000 1.357 396 I CB -0.833 37.121 38.000 -0.076 0.000 1.051 396 I HN 0.237 nan 8.210 nan 0.000 0.409 397 G N 0.067 108.743 108.800 -0.206 0.000 2.446 397 G HA2 -0.336 3.624 3.960 0.001 0.000 0.217 397 G HA3 -0.336 3.624 3.960 0.001 0.000 0.217 397 G C 1.575 176.299 174.900 -0.292 0.000 1.168 397 G CA 0.932 45.911 45.100 -0.203 0.000 0.771 397 G HN 0.435 nan 8.290 nan 0.000 0.551 398 Q N 0.579 120.154 119.800 -0.375 0.000 2.123 398 Q HA -0.086 4.254 4.340 0.001 0.000 0.199 398 Q C 2.667 178.029 176.000 -1.064 0.000 0.966 398 Q CA 1.967 57.419 55.803 -0.585 0.000 0.845 398 Q CB -0.108 28.319 28.738 -0.517 0.000 0.907 398 Q HN 0.597 nan 8.270 nan 0.000 0.439 399 S N -1.332 113.799 115.700 -0.949 0.000 2.421 399 S HA 0.236 4.707 4.470 0.001 0.000 0.224 399 S C 1.557 175.913 174.600 -0.408 0.000 1.035 399 S CA 0.364 58.040 58.200 -0.873 0.000 0.953 399 S CB 0.563 63.488 63.200 -0.458 0.000 0.810 399 S HN 0.412 nan 8.310 nan 0.000 0.497 400 A N 1.061 123.605 122.820 -0.460 0.000 1.937 400 A HA 0.432 4.752 4.320 0.001 0.000 0.198 400 A C 1.706 179.028 177.584 -0.438 0.000 1.635 400 A CA 0.180 51.893 52.037 -0.540 0.000 1.111 400 A CB 0.086 18.363 19.000 -1.204 0.000 1.165 400 A HN 0.375 nan 8.150 nan 0.000 0.460 401 E N 0.512 120.498 120.200 -0.357 0.000 2.364 401 E HA 0.173 4.523 4.350 0.001 0.000 0.196 401 E C 1.201 177.730 176.600 -0.118 0.000 0.990 401 E CA 0.140 56.423 56.400 -0.195 0.000 0.886 401 E CB 0.116 29.745 29.700 -0.118 0.000 0.866 401 E HN 0.479 nan 8.360 nan 0.000 0.493 402 G N 1.448 110.166 108.800 -0.136 0.000 2.699 402 G HA2 -0.116 3.844 3.960 0.001 0.000 0.246 402 G HA3 -0.116 3.844 3.960 0.001 0.000 0.246 402 G C -0.158 174.727 174.900 -0.025 0.000 1.219 402 G CA -0.191 44.859 45.100 -0.083 0.000 0.866 402 G HN -0.073 nan 8.290 nan 0.000 0.572 403 D N -0.362 120.049 120.400 0.017 0.000 2.219 403 D HA -0.028 4.612 4.640 0.001 0.000 0.205 403 D C 1.562 177.971 176.300 0.183 0.000 0.970 403 D CA 0.962 55.010 54.000 0.079 0.000 0.851 403 D CB 0.264 41.115 40.800 0.084 0.000 0.943 403 D HN 0.188 nan 8.370 nan 0.000 0.488 404 K N 0.483 120.963 120.400 0.134 0.000 2.593 404 K HA 0.420 4.740 4.320 0.001 0.000 0.208 404 K C -0.159 176.472 176.600 0.051 0.000 1.051 404 K CA -0.310 56.064 56.287 0.145 0.000 1.111 404 K CB 0.558 33.058 32.500 0.001 0.000 0.849 404 K HN 0.021 nan 8.250 nan 0.000 0.479 405 A N 0.617 123.464 122.820 0.046 0.000 2.483 405 A HA 0.046 4.366 4.320 0.001 0.000 0.238 405 A C 0.758 178.396 177.584 0.089 0.000 1.070 405 A CA -0.232 51.745 52.037 -0.100 0.000 0.770 405 A CB 0.046 18.956 19.000 -0.150 0.000 1.008 405 A HN 0.327 nan 8.150 nan 0.000 0.497 406 W N 1.474 122.772 121.300 -0.003 0.000 2.338 406 W HA -0.165 4.495 4.660 0.001 0.000 0.304 406 W C 1.679 178.099 176.519 -0.165 0.000 1.212 406 W CA 0.881 58.147 57.345 -0.132 0.000 1.264 406 W CB -1.254 28.096 29.460 -0.184 0.000 1.142 406 W HN 0.648 nan 8.180 nan 0.000 0.512 407 L N -0.004 121.318 121.223 0.164 0.000 2.275 407 L HA -0.126 4.214 4.340 0.001 0.000 0.215 407 L C 2.414 179.324 176.870 0.067 0.000 1.119 407 L CA 1.141 56.054 54.840 0.121 0.000 0.790 407 L CB -0.595 41.504 42.059 0.067 0.000 0.919 407 L HN -0.052 nan 8.230 nan 0.000 0.443 408 R N -1.766 118.784 120.500 0.083 0.000 2.246 408 R HA -0.022 4.318 4.340 0.001 0.000 0.199 408 R C 1.262 177.513 176.300 -0.082 0.000 0.984 408 R CA 0.577 56.685 56.100 0.015 0.000 1.015 408 R CB 0.142 30.463 30.300 0.035 0.000 0.930 408 R HN 0.302 nan 8.270 nan 0.000 0.475 409 Y N 0.371 120.675 120.300 0.008 0.000 2.449 409 Y HA 0.077 4.627 4.550 0.001 0.000 0.254 409 Y C 0.723 176.621 175.900 -0.004 0.000 1.140 409 Y CA -0.632 57.481 58.100 0.022 0.000 1.272 409 Y CB 0.841 39.341 38.460 0.068 0.000 1.114 409 Y HN -0.195 nan 8.280 nan 0.000 0.525 410 V N 0.241 120.175 119.914 0.034 0.000 2.540 410 V HA 0.490 4.610 4.120 0.001 0.000 0.297 410 V C 0.469 176.605 176.094 0.070 0.000 1.024 410 V CA -0.919 61.395 62.300 0.024 0.000 1.105 410 V CB -0.053 31.814 31.823 0.074 0.000 0.938 410 V HN 0.170 nan 8.190 nan 0.000 0.482 411 A N 4.059 126.955 122.820 0.126 0.000 2.240 411 A HA 0.520 4.840 4.320 0.001 0.000 0.292 411 A C 1.147 178.778 177.584 0.079 0.000 1.121 411 A CA -0.379 51.728 52.037 0.118 0.000 0.851 411 A CB 0.270 19.404 19.000 0.223 0.000 1.167 411 A HN 0.868 nan 8.150 nan 0.000 0.503 412 E N 0.150 120.378 120.200 0.047 0.000 2.274 412 E HA -0.139 4.212 4.350 0.001 0.000 0.194 412 E C 0.541 177.158 176.600 0.028 0.000 0.996 412 E CA 1.260 57.676 56.400 0.026 0.000 0.840 412 E CB -0.167 29.535 29.700 0.004 0.000 0.772 412 E HN 0.755 nan 8.360 nan 0.000 0.491 413 D N -0.773 119.660 120.400 0.055 0.000 2.324 413 D HA 0.049 4.690 4.640 0.001 0.000 0.235 413 D C 1.156 177.462 176.300 0.010 0.000 1.095 413 D CA 0.593 54.611 54.000 0.031 0.000 0.871 413 D CB -0.259 40.576 40.800 0.059 0.000 0.906 413 D HN 0.099 nan 8.370 nan 0.000 0.522 414 G N -0.211 108.613 108.800 0.038 0.000 2.153 414 G HA2 -0.334 3.626 3.960 0.001 0.000 0.252 414 G HA3 -0.334 3.626 3.960 0.001 0.000 0.252 414 G C 0.066 174.999 174.900 0.055 0.000 0.994 414 G CA 0.545 45.669 45.100 0.040 0.000 0.698 414 G HN 0.528 nan 8.290 nan 0.000 0.521 415 K N -0.977 119.451 120.400 0.048 0.000 2.400 415 K HA 0.792 5.113 4.320 0.001 0.000 0.246 415 K C -0.093 176.473 176.600 -0.058 0.000 0.995 415 K CA -0.943 55.330 56.287 -0.023 0.000 0.840 415 K CB 1.973 34.363 32.500 -0.183 0.000 1.293 415 K HN 0.105 nan 8.250 nan 0.000 0.445 416 I N 2.543 123.067 120.570 -0.078 0.000 2.339 416 I HA 0.198 4.368 4.170 0.001 0.000 0.290 416 I C -0.247 175.845 176.117 -0.042 0.000 0.994 416 I CA -0.585 60.714 61.300 -0.001 0.000 1.191 416 I CB 0.942 38.928 38.000 -0.023 0.000 1.343 416 I HN 0.487 nan 8.210 nan 0.000 0.458 417 H N 5.931 125.120 119.070 0.198 0.000 2.508 417 H HA 0.197 4.753 4.556 0.001 0.000 0.224 417 H C 0.671 176.119 175.328 0.200 0.000 1.723 417 H CA -0.367 55.795 56.048 0.190 0.000 1.251 417 H CB 0.399 30.250 29.762 0.148 0.000 1.627 417 H HN 0.774 nan 8.280 nan 0.000 0.543 418 G N 1.165 110.113 108.800 0.246 0.000 2.414 418 G HA2 0.010 3.971 3.960 0.001 0.000 0.236 418 G HA3 0.010 3.971 3.960 0.001 0.000 0.236 418 G C 0.354 175.383 174.900 0.214 0.000 1.293 418 G CA -0.204 45.022 45.100 0.210 0.000 0.869 418 G HN 0.414 nan 8.290 nan 0.000 0.556 419 S N -0.426 115.402 115.700 0.213 0.000 2.632 419 S HA 0.599 5.070 4.470 0.001 0.000 0.271 419 S C -0.203 174.458 174.600 0.102 0.000 1.260 419 S CA -0.584 57.732 58.200 0.194 0.000 1.010 419 S CB 1.053 64.440 63.200 0.311 0.000 0.965 419 S HN 0.580 nan 8.310 nan 0.000 0.534 420 V N 4.584 124.535 119.914 0.063 0.000 2.668 420 V HA 0.402 4.523 4.120 0.001 0.000 0.304 420 V C -0.532 175.545 176.094 -0.029 0.000 1.071 420 V CA -1.086 61.186 62.300 -0.047 0.000 0.894 420 V CB 1.943 33.763 31.823 -0.006 0.000 1.008 420 V HN 0.892 nan 8.190 nan 0.000 0.425 421 N N 5.968 124.616 118.700 -0.086 0.000 2.500 421 N HA 0.324 5.064 4.740 0.001 0.000 0.236 421 N C -1.888 173.608 175.510 -0.024 0.000 1.022 421 N CA -2.008 51.026 53.050 -0.028 0.000 0.935 421 N CB 2.134 40.606 38.487 -0.025 0.000 1.147 421 N HN 0.246 nan 8.380 nan 0.000 0.512 422 P HA -0.094 nan 4.420 nan 0.000 0.218 422 P C -0.006 177.385 177.300 0.151 0.000 1.146 422 P CA 1.325 64.513 63.100 0.146 0.000 0.820 422 P CB 0.317 32.097 31.700 0.133 0.000 0.778 423 N N -2.301 116.449 118.700 0.084 0.000 2.536 423 N HA 0.187 4.928 4.740 0.001 0.000 0.286 423 N C 1.200 176.744 175.510 0.056 0.000 1.577 423 N CA -0.066 53.037 53.050 0.089 0.000 0.883 423 N CB -0.419 38.119 38.487 0.085 0.000 1.390 423 N HN -0.166 nan 8.380 nan 0.000 0.491 424 G N -0.641 108.177 108.800 0.030 0.000 2.471 424 G HA2 0.108 4.069 3.960 0.001 0.000 0.219 424 G HA3 0.108 4.069 3.960 0.001 0.000 0.219 424 G C 0.564 175.482 174.900 0.029 0.000 1.125 424 G CA 0.586 45.698 45.100 0.020 0.000 0.775 424 G HN 0.450 nan 8.290 nan 0.000 0.548 425 A N 0.036 122.878 122.820 0.037 0.000 2.303 425 A HA 0.550 4.870 4.320 0.001 0.000 0.317 425 A C 1.637 179.249 177.584 0.047 0.000 1.149 425 A CA 0.101 52.159 52.037 0.035 0.000 0.822 425 A CB 1.420 20.438 19.000 0.030 0.000 1.131 425 A HN 0.744 nan 8.150 nan 0.000 0.493 426 V N 0.527 120.468 119.914 0.044 0.000 2.453 426 V HA -0.231 3.889 4.120 0.001 0.000 0.252 426 V C 1.933 178.065 176.094 0.062 0.000 1.068 426 V CA 2.777 65.114 62.300 0.062 0.000 1.070 426 V CB -2.054 29.815 31.823 0.078 0.000 0.664 426 V HN 1.082 nan 8.190 nan 0.000 0.461 427 T N -2.748 111.831 114.554 0.042 0.000 3.072 427 T HA 0.364 4.715 4.350 0.001 0.000 0.266 427 T C 1.694 176.443 174.700 0.083 0.000 1.127 427 T CA 1.198 63.325 62.100 0.045 0.000 1.107 427 T CB 0.162 69.035 68.868 0.008 0.000 0.910 427 T HN 1.672 nan 8.240 nan 0.000 0.513 428 G N 0.896 109.754 108.800 0.097 0.000 2.192 428 G HA2 -0.181 3.779 3.960 0.001 0.000 0.193 428 G HA3 -0.181 3.779 3.960 0.001 0.000 0.193 428 G C 0.244 175.246 174.900 0.171 0.000 0.999 428 G CA -0.324 44.859 45.100 0.138 0.000 0.659 428 G HN 0.614 nan 8.290 nan 0.000 0.503 429 R N 0.579 121.158 120.500 0.132 0.000 2.726 429 R HA 0.635 4.975 4.340 0.001 0.000 0.272 429 R C 0.835 177.187 176.300 0.087 0.000 1.097 429 R CA 0.459 56.639 56.100 0.134 0.000 1.198 429 R CB 0.568 30.928 30.300 0.099 0.000 1.114 429 R HN 0.478 nan 8.270 nan 0.000 0.550 430 A N 0.348 123.156 122.820 -0.020 0.000 2.256 430 A HA 0.521 4.841 4.320 0.001 0.000 0.318 430 A C -0.273 177.213 177.584 -0.163 0.000 1.103 430 A CA -0.466 51.492 52.037 -0.132 0.000 0.860 430 A CB 1.144 19.953 19.000 -0.319 0.000 1.182 430 A HN 0.736 nan 8.150 nan 0.000 0.501 431 T N -1.643 112.746 114.554 -0.276 0.000 2.907 431 T HA 0.735 5.085 4.350 0.001 0.000 0.292 431 T C -0.980 173.466 174.700 -0.425 0.000 1.043 431 T CA -0.613 61.396 62.100 -0.151 0.000 1.003 431 T CB 1.195 70.030 68.868 -0.056 0.000 1.084 431 T HN 0.673 nan 8.240 nan 0.000 0.483 432 H N -0.204 118.810 119.070 -0.094 0.000 2.717 432 H HA 0.872 5.428 4.556 0.001 0.000 0.366 432 H C -0.260 174.961 175.328 -0.178 0.000 1.132 432 H CA -0.496 55.490 56.048 -0.104 0.000 1.180 432 H CB 1.863 31.566 29.762 -0.098 0.000 1.678 432 H HN 1.146 nan 8.280 nan 0.000 0.537 433 A N 1.033 123.772 122.820 -0.135 0.000 2.601 433 A HA 0.577 4.897 4.320 0.001 0.000 0.291 433 A C -1.522 175.849 177.584 -0.355 0.000 1.075 433 A CA -0.956 50.809 52.037 -0.453 0.000 0.671 433 A CB 0.492 18.913 19.000 -0.965 0.000 1.277 433 A HN 0.621 nan 8.150 nan 0.000 0.417 434 F N -2.045 117.819 119.950 -0.144 0.000 2.985 434 F HA -0.128 4.400 4.527 0.001 0.000 0.303 434 F C -2.231 173.216 175.800 -0.588 0.000 0.976 434 F CA 0.624 58.397 58.000 -0.378 0.000 1.013 434 F CB -2.335 36.620 39.000 -0.074 0.000 1.060 434 F HN 0.439 nan 8.300 nan 0.000 0.780 435 P HA 0.223 nan 4.420 nan 0.000 0.286 435 P C -0.269 176.989 177.300 -0.071 0.000 1.292 435 P CA -0.546 62.420 63.100 -0.223 0.000 0.842 435 P CB 1.075 32.747 31.700 -0.047 0.000 1.207 436 N N 0.826 119.495 118.700 -0.051 0.000 2.415 436 N HA 0.068 4.808 4.740 0.001 0.000 0.250 436 N C 0.839 176.347 175.510 -0.004 0.000 1.127 436 N CA 0.064 53.100 53.050 -0.024 0.000 0.945 436 N CB -0.722 37.736 38.487 -0.048 0.000 1.196 436 N HN 0.303 nan 8.380 nan 0.000 0.499 437 L N 1.867 123.091 121.223 0.000 0.000 2.610 437 L HA 0.056 4.397 4.340 0.001 0.000 0.232 437 L C 1.488 178.293 176.870 -0.108 0.000 1.149 437 L CA 0.318 55.131 54.840 -0.046 0.000 0.872 437 L CB -0.163 41.939 42.059 0.071 0.000 0.992 437 L HN 0.528 nan 8.230 nan 0.000 0.447 438 A N 0.039 122.707 122.820 -0.253 0.000 2.379 438 A HA 0.049 4.369 4.320 0.001 0.000 0.236 438 A C 1.239 178.703 177.584 -0.200 0.000 1.272 438 A CA -0.112 51.698 52.037 -0.379 0.000 0.886 438 A CB -0.126 18.358 19.000 -0.859 0.000 0.962 438 A HN 0.573 nan 8.150 nan 0.000 0.504 439 Q N -0.069 119.643 119.800 -0.148 0.000 2.088 439 Q HA 0.329 4.669 4.340 0.001 0.000 0.270 439 Q C -0.698 175.255 176.000 -0.078 0.000 0.854 439 Q CA -0.536 55.211 55.803 -0.093 0.000 1.104 439 Q CB 0.138 28.850 28.738 -0.043 0.000 1.251 439 Q HN 0.246 nan 8.270 nan 0.000 0.436 440 I N 2.745 123.193 120.570 -0.204 0.000 2.556 440 I HA 0.238 4.409 4.170 0.001 0.000 0.284 440 I C -1.917 174.106 176.117 -0.157 0.000 1.114 440 I CA -2.193 58.995 61.300 -0.185 0.000 1.418 440 I CB -0.148 37.460 38.000 -0.653 0.000 1.394 440 I HN 0.104 nan 8.210 nan 0.000 0.552 441 P HA 0.015 nan 4.420 nan 0.000 0.264 441 P C 0.328 177.588 177.300 -0.067 0.000 1.179 441 P CA 0.071 63.176 63.100 0.008 0.000 0.763 441 P CB 0.415 32.179 31.700 0.107 0.000 0.806 442 G N 1.395 110.164 108.800 -0.053 0.000 2.544 442 G HA2 0.215 4.175 3.960 0.001 0.000 0.242 442 G HA3 0.215 4.175 3.960 0.001 0.000 0.242 442 G C 1.314 176.201 174.900 -0.022 0.000 1.247 442 G CA -0.416 44.651 45.100 -0.056 0.000 0.840 442 G HN 0.450 nan 8.290 nan 0.000 0.578 443 V N 0.411 120.314 119.914 -0.018 0.000 2.688 443 V HA -0.143 3.977 4.120 0.001 0.000 0.256 443 V C 2.167 178.269 176.094 0.014 0.000 1.084 443 V CA 1.693 64.000 62.300 0.012 0.000 1.103 443 V CB -0.625 31.215 31.823 0.029 0.000 0.688 443 V HN 0.672 nan 8.190 nan 0.000 0.480 444 R N 1.548 122.052 120.500 0.006 0.000 2.317 444 R HA 0.222 4.562 4.340 0.001 0.000 0.208 444 R C 1.038 177.338 176.300 -0.001 0.000 0.914 444 R CA 0.561 56.663 56.100 0.002 0.000 1.060 444 R CB 0.072 30.373 30.300 0.002 0.000 1.015 444 R HN 0.776 nan 8.270 nan 0.000 0.498 445 S N 0.556 116.260 115.700 0.007 0.000 2.687 445 S HA 0.425 4.895 4.470 0.001 0.000 0.283 445 S C -2.579 172.023 174.600 0.005 0.000 1.170 445 S CA -1.806 56.401 58.200 0.011 0.000 1.008 445 S CB 1.579 64.796 63.200 0.027 0.000 1.026 445 S HN -0.214 nan 8.310 nan 0.000 0.541 446 P HA 0.101 nan 4.420 nan 0.000 0.261 446 P C -0.597 176.720 177.300 0.029 0.000 1.183 446 P CA 0.633 63.676 63.100 -0.096 0.000 0.761 446 P CB -0.364 31.309 31.700 -0.044 0.000 0.785 447 Y N 0.879 121.204 120.300 0.041 0.000 4.916 447 Y HA -0.275 4.275 4.550 0.000 0.000 0.247 447 Y C 1.990 177.936 175.900 0.076 0.000 0.962 447 Y CA 1.363 59.498 58.100 0.059 0.000 1.933 447 Y CB -2.522 35.975 38.460 0.062 0.000 1.451 447 Y HN 0.525 nan 8.280 nan 0.000 0.539 448 G N 0.071 108.958 108.800 0.145 0.000 2.446 448 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 448 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 448 G C 1.392 176.354 174.900 0.103 0.000 1.168 448 G CA 1.268 46.435 45.100 0.111 0.000 0.771 448 G HN 0.597 nan 8.290 nan 0.000 0.551 449 E N 0.159 120.409 120.200 0.084 0.000 2.058 449 E HA -0.209 4.142 4.350 0.001 0.000 0.194 449 E C 2.674 179.344 176.600 0.116 0.000 0.997 449 E CA 1.314 57.766 56.400 0.086 0.000 0.801 449 E CB -0.186 29.552 29.700 0.065 0.000 0.746 449 E HN 0.555 nan 8.360 nan 0.000 0.450 450 Q N -0.080 119.805 119.800 0.142 0.000 2.084 450 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 450 Q C 2.433 178.533 176.000 0.167 0.000 0.978 450 Q CA 1.472 57.365 55.803 0.150 0.000 0.844 450 Q CB -0.158 28.693 28.738 0.188 0.000 0.898 450 Q HN 0.326 nan 8.270 nan 0.000 0.426 451 C N -0.117 119.322 119.300 0.231 0.000 2.432 451 C HA -0.100 4.360 4.460 0.001 0.000 0.277 451 C C 2.613 177.727 174.990 0.207 0.000 1.249 451 C CA 0.677 59.878 59.018 0.306 0.000 1.725 451 C CB -0.711 27.283 27.740 0.424 0.000 2.028 451 C HN 0.419 nan 8.230 nan 0.000 0.477 452 R N 1.110 121.693 120.500 0.138 0.000 2.092 452 R HA 0.003 4.343 4.340 0.001 0.000 0.231 452 R C 2.171 178.624 176.300 0.255 0.000 1.119 452 R CA 1.592 57.762 56.100 0.117 0.000 0.970 452 R CB -0.588 29.721 30.300 0.016 0.000 0.864 452 R HN 0.507 nan 8.270 nan 0.000 0.440 453 A N -0.213 122.725 122.820 0.196 0.000 2.067 453 A HA 0.033 4.354 4.320 0.001 0.000 0.219 453 A C 2.107 179.827 177.584 0.226 0.000 1.158 453 A CA 1.352 53.518 52.037 0.216 0.000 0.661 453 A CB -0.573 18.522 19.000 0.158 0.000 0.801 453 A HN 0.384 nan 8.150 nan 0.000 0.452 454 A N -1.336 121.507 122.820 0.038 0.000 2.119 454 A HA 0.271 4.591 4.320 0.001 0.000 0.217 454 A C 0.276 177.582 177.584 -0.462 0.000 1.153 454 A CA 0.297 52.113 52.037 -0.368 0.000 0.692 454 A CB -0.390 18.259 19.000 -0.585 0.000 0.799 454 A HN 0.353 nan 8.150 nan 0.000 0.458 455 F N -0.124 119.804 119.950 -0.036 0.000 2.332 455 F HA 0.586 5.113 4.527 0.001 0.000 0.368 455 F C 0.703 176.640 175.800 0.229 0.000 1.110 455 F CA 0.006 57.930 58.000 -0.127 0.000 1.087 455 F CB 1.614 40.272 39.000 -0.570 0.000 1.235 455 F HN 0.138 nan 8.300 nan 0.000 0.470 456 G N 0.778 109.947 108.800 0.614 0.000 2.616 456 G HA2 0.464 4.424 3.960 0.001 0.000 0.294 456 G HA3 0.464 4.424 3.960 0.001 0.000 0.294 456 G C 0.028 175.127 174.900 0.333 0.000 1.489 456 G CA -0.242 45.150 45.100 0.487 0.000 0.836 456 G HN 0.674 nan 8.290 nan 0.000 0.527 457 A N 0.349 123.332 122.820 0.271 0.000 2.024 457 A HA -0.031 4.289 4.320 0.001 0.000 0.220 457 A C 2.015 179.710 177.584 0.185 0.000 1.164 457 A CA 2.254 54.456 52.037 0.276 0.000 0.643 457 A CB -0.523 18.677 19.000 0.333 0.000 0.806 457 A HN 0.996 nan 8.150 nan 0.000 0.451 458 E N -0.646 119.554 120.200 0.000 0.000 2.160 458 E HA -0.260 4.090 4.350 0.001 0.000 0.195 458 E C 1.099 177.606 176.600 -0.154 0.000 0.991 458 E CA 1.390 57.727 56.400 -0.106 0.000 0.810 458 E CB -0.678 28.874 29.700 -0.246 0.000 0.742 458 E HN 0.742 nan 8.360 nan 0.000 0.466 459 H N -0.389 118.728 119.070 0.079 0.000 2.553 459 H HA 0.072 4.628 4.556 0.001 0.000 0.269 459 H C -0.257 175.057 175.328 -0.025 0.000 1.011 459 H CA 0.813 56.865 56.048 0.007 0.000 1.150 459 H CB -0.523 29.224 29.762 -0.025 0.000 1.339 459 H HN 0.353 nan 8.280 nan 0.000 0.604 460 H N 0.315 119.336 119.070 -0.082 0.000 2.539 460 H HA 0.385 4.941 4.556 0.001 0.000 0.332 460 H C -0.871 174.338 175.328 -0.199 0.000 1.031 460 H CA -0.611 55.258 56.048 -0.297 0.000 1.206 460 H CB 0.472 29.824 29.762 -0.683 0.000 1.446 460 H HN -0.028 nan 8.280 nan 0.000 0.496 461 L N 4.261 125.043 121.223 -0.735 0.000 2.289 461 L HA 0.232 4.573 4.340 0.001 0.000 0.285 461 L C 0.283 176.783 176.870 -0.617 0.000 1.049 461 L CA -0.892 53.684 54.840 -0.441 0.000 0.804 461 L CB 1.141 43.053 42.059 -0.244 0.000 1.195 461 L HN 0.741 nan 8.230 nan 0.000 0.428 462 D N 1.939 122.281 120.400 -0.096 0.000 2.506 462 D HA 0.006 4.646 4.640 0.001 0.000 0.234 462 D C 1.301 177.611 176.300 0.017 0.000 1.143 462 D CA 0.766 54.867 54.000 0.169 0.000 0.871 462 D CB 1.439 42.486 40.800 0.411 0.000 1.190 462 D HN 0.660 nan 8.370 nan 0.000 0.459 463 G N 3.040 111.892 108.800 0.087 0.000 2.509 463 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 463 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 463 G C 1.140 176.074 174.900 0.056 0.000 1.124 463 G CA 0.460 45.587 45.100 0.046 0.000 0.776 463 G HN 0.503 nan 8.290 nan 0.000 0.547 464 I N 0.782 121.406 120.570 0.090 0.000 2.900 464 I HA 0.023 4.193 4.170 0.001 0.000 0.251 464 I C 2.816 178.964 176.117 0.051 0.000 1.102 464 I CA 1.791 63.131 61.300 0.068 0.000 1.457 464 I CB -1.175 36.873 38.000 0.079 0.000 1.285 464 I HN 0.241 nan 8.210 nan 0.000 0.459 465 T N -1.371 113.223 114.554 0.067 0.000 3.100 465 T HA 0.181 4.532 4.350 0.001 0.000 0.253 465 T C 1.619 176.342 174.700 0.037 0.000 1.118 465 T CA 0.741 62.870 62.100 0.049 0.000 1.058 465 T CB -0.008 68.893 68.868 0.055 0.000 0.953 465 T HN 0.535 nan 8.240 nan 0.000 0.515 466 G N 1.743 110.561 108.800 0.031 0.000 2.175 466 G HA2 -0.258 3.703 3.960 0.001 0.000 0.265 466 G HA3 -0.258 3.703 3.960 0.001 0.000 0.265 466 G C 0.036 174.945 174.900 0.015 0.000 0.979 466 G CA 0.305 45.404 45.100 -0.002 0.000 0.663 466 G HN 0.615 nan 8.290 nan 0.000 0.533 467 K N 1.204 121.640 120.400 0.060 0.000 2.174 467 K HA 0.432 4.752 4.320 0.001 0.000 0.275 467 K C -2.054 174.630 176.600 0.139 0.000 1.015 467 K CA -2.367 53.964 56.287 0.075 0.000 0.933 467 K CB 1.086 33.626 32.500 0.066 0.000 1.025 467 K HN 0.178 nan 8.250 nan 0.000 0.463 468 P HA 0.036 nan 4.420 nan 0.000 0.269 468 P C -0.472 177.027 177.300 0.331 0.000 1.215 468 P CA -0.199 63.002 63.100 0.168 0.000 0.780 468 P CB 0.462 32.209 31.700 0.078 0.000 0.898 469 W N 1.122 122.473 121.300 0.086 0.000 2.213 469 W HA 0.357 5.017 4.660 0.001 0.000 0.356 469 W C -0.088 176.485 176.519 0.089 0.000 1.273 469 W CA -0.129 57.300 57.345 0.142 0.000 1.391 469 W CB 0.260 29.895 29.460 0.291 0.000 1.187 469 W HN 0.037 nan 8.180 nan 0.000 0.649 470 V N 0.766 120.825 119.914 0.241 0.000 2.881 470 V HA 0.368 4.489 4.120 0.001 0.000 0.316 470 V C -0.496 175.690 176.094 0.153 0.000 1.070 470 V CA -1.190 61.191 62.300 0.135 0.000 0.976 470 V CB 1.583 33.428 31.823 0.038 0.000 1.038 470 V HN 0.423 nan 8.190 nan 0.000 0.446 471 Q N 1.481 121.347 119.800 0.111 0.000 2.312 471 Q HA 0.755 5.095 4.340 0.001 0.000 0.263 471 Q C -0.842 175.181 176.000 0.039 0.000 0.995 471 Q CA -0.657 55.197 55.803 0.085 0.000 0.853 471 Q CB 1.885 30.687 28.738 0.106 0.000 1.300 471 Q HN 0.944 nan 8.270 nan 0.000 0.448 472 A N 2.526 125.341 122.820 -0.008 0.000 2.291 472 A HA 0.731 5.051 4.320 0.001 0.000 0.311 472 A C -0.361 177.202 177.584 -0.035 0.000 1.224 472 A CA -0.287 51.735 52.037 -0.024 0.000 0.821 472 A CB 1.117 20.075 19.000 -0.069 0.000 1.172 472 A HN 0.726 nan 8.150 nan 0.000 0.494 473 G N 1.556 110.378 108.800 0.037 0.000 2.422 473 G HA2 0.580 4.541 3.960 0.001 0.000 0.317 473 G HA3 0.580 4.541 3.960 0.001 0.000 0.317 473 G C -0.963 174.021 174.900 0.141 0.000 1.210 473 G CA -0.289 44.863 45.100 0.087 0.000 0.930 473 G HN 0.527 nan 8.290 nan 0.000 0.468 474 I N 1.941 122.616 120.570 0.175 0.000 2.498 474 I HA 0.400 4.571 4.170 0.001 0.000 0.290 474 I C -0.896 175.470 176.117 0.415 0.000 1.032 474 I CA -0.686 60.779 61.300 0.276 0.000 1.073 474 I CB 2.499 40.693 38.000 0.323 0.000 1.251 474 I HN 0.312 nan 8.210 nan 0.000 0.426 475 D N 4.573 125.164 120.400 0.317 0.000 2.780 475 D HA 0.586 5.226 4.640 0.001 0.000 0.242 475 D C -0.736 175.613 176.300 0.081 0.000 1.135 475 D CA -0.509 53.660 54.000 0.282 0.000 0.859 475 D CB 2.686 43.687 40.800 0.334 0.000 1.530 475 D HN 0.628 nan 8.370 nan 0.000 0.493 476 A N 2.494 125.275 122.820 -0.065 0.000 2.488 476 A HA 0.352 4.673 4.320 0.001 0.000 0.249 476 A C 0.298 177.881 177.584 -0.001 0.000 1.083 476 A CA -0.021 51.906 52.037 -0.183 0.000 0.768 476 A CB 0.109 18.944 19.000 -0.275 0.000 1.017 476 A HN 0.441 nan 8.150 nan 0.000 0.496 477 S N 1.742 117.441 115.700 -0.001 0.000 2.505 477 S HA 0.421 4.891 4.470 0.001 0.000 0.276 477 S C 1.315 175.979 174.600 0.108 0.000 1.274 477 S CA 0.416 58.656 58.200 0.067 0.000 1.053 477 S CB 0.735 63.956 63.200 0.036 0.000 0.919 477 S HN 2.029 nan 8.310 nan 0.000 0.490 478 G N 2.485 111.409 108.800 0.208 0.000 2.450 478 G HA2 -0.289 3.672 3.960 0.001 0.000 0.302 478 G HA3 -0.289 3.672 3.960 0.001 0.000 0.302 478 G C 0.703 175.766 174.900 0.272 0.000 0.957 478 G CA 0.600 45.864 45.100 0.273 0.000 1.005 478 G HN 0.726 nan 8.290 nan 0.000 0.514 479 L N -0.160 121.209 121.223 0.245 0.000 1.987 479 L HA -0.189 4.151 4.340 0.001 0.000 0.230 479 L C 2.493 179.538 176.870 0.292 0.000 1.089 479 L CA 3.180 58.144 54.840 0.206 0.000 0.802 479 L CB -0.590 41.562 42.059 0.154 0.000 0.905 479 L HN 0.506 nan 8.230 nan 0.000 0.441 480 E N -1.094 119.326 120.200 0.367 0.000 2.268 480 E HA -0.150 4.201 4.350 0.001 0.000 0.195 480 E C 2.250 179.160 176.600 0.517 0.000 0.995 480 E CA 0.833 57.500 56.400 0.445 0.000 0.836 480 E CB -0.123 29.801 29.700 0.373 0.000 0.763 480 E HN 0.546 nan 8.360 nan 0.000 0.491 481 L N 0.153 121.667 121.223 0.485 0.000 2.179 481 L HA -0.083 4.257 4.340 0.001 0.000 0.208 481 L C 2.332 179.412 176.870 0.349 0.000 1.096 481 L CA 0.826 55.876 54.840 0.351 0.000 0.779 481 L CB -0.156 42.013 42.059 0.183 0.000 0.922 481 L HN 0.061 nan 8.230 nan 0.000 0.443 482 R N -1.156 119.513 120.500 0.283 0.000 2.148 482 R HA -0.095 4.245 4.340 0.001 0.000 0.223 482 R C 2.338 178.875 176.300 0.395 0.000 1.088 482 R CA 1.134 57.389 56.100 0.260 0.000 0.985 482 R CB -0.435 29.992 30.300 0.212 0.000 0.880 482 R HN 0.391 nan 8.270 nan 0.000 0.451 483 C N 0.592 120.171 119.300 0.466 0.000 2.440 483 C HA -0.049 4.412 4.460 0.001 0.000 0.278 483 C C 2.537 177.827 174.990 0.499 0.000 1.295 483 C CA 0.179 59.538 59.018 0.569 0.000 1.738 483 C CB -0.788 27.298 27.740 0.576 0.000 1.987 483 C HN 0.435 nan 8.230 nan 0.000 0.492 484 L N 2.204 123.696 121.223 0.448 0.000 1.994 484 L HA -0.036 4.304 4.340 0.001 0.000 0.208 484 L C 2.607 179.692 176.870 0.358 0.000 1.071 484 L CA 2.513 57.583 54.840 0.383 0.000 0.745 484 L CB -1.074 41.151 42.059 0.275 0.000 0.892 484 L HN 0.252 nan 8.230 nan 0.000 0.431 485 A N -1.096 121.984 122.820 0.433 0.000 1.917 485 A HA -0.361 3.960 4.320 0.001 0.000 0.219 485 A C 2.282 179.957 177.584 0.151 0.000 1.182 485 A CA 2.133 54.415 52.037 0.409 0.000 0.633 485 A CB -1.245 17.900 19.000 0.241 0.000 0.819 485 A HN 0.816 nan 8.150 nan 0.000 0.448 486 H N -1.553 117.451 119.070 -0.110 0.000 2.267 486 H HA -0.144 4.412 4.556 0.001 0.000 0.297 486 H C 1.586 176.680 175.328 -0.391 0.000 1.080 486 H CA 2.317 58.056 56.048 -0.515 0.000 1.278 486 H CB -0.483 28.437 29.762 -1.404 0.000 1.365 486 H HN 0.400 nan 8.280 nan 0.000 0.489 487 F N 0.627 120.463 119.950 -0.190 0.000 2.293 487 F HA -0.115 4.413 4.527 0.001 0.000 0.300 487 F C 2.309 178.103 175.800 -0.011 0.000 1.086 487 F CA 1.323 59.229 58.000 -0.156 0.000 1.375 487 F CB -0.325 38.714 39.000 0.065 0.000 1.045 487 F HN 0.376 nan 8.300 nan 0.000 0.516 488 M N -1.819 117.916 119.600 0.225 0.000 2.428 488 M HA 0.439 4.920 4.480 0.001 0.000 0.239 488 M C 1.758 178.179 176.300 0.201 0.000 1.121 488 M CA 0.621 56.117 55.300 0.327 0.000 1.019 488 M CB -0.542 32.203 32.600 0.241 0.000 1.485 488 M HN -0.034 nan 8.290 nan 0.000 0.484 489 A N 2.726 125.556 122.820 0.017 0.000 2.019 489 A HA -0.151 4.169 4.320 0.001 0.000 0.219 489 A C 2.353 179.882 177.584 -0.090 0.000 1.164 489 A CA 1.541 53.555 52.037 -0.040 0.000 0.644 489 A CB -0.652 18.267 19.000 -0.134 0.000 0.805 489 A HN 0.786 nan 8.150 nan 0.000 0.449 490 R N -2.324 118.056 120.500 -0.201 0.000 2.276 490 R HA 0.124 4.464 4.340 0.001 0.000 0.203 490 R C 0.975 177.024 176.300 -0.418 0.000 1.017 490 R CA 1.176 57.063 56.100 -0.354 0.000 1.010 490 R CB -0.384 29.601 30.300 -0.524 0.000 0.900 490 R HN 0.432 nan 8.270 nan 0.000 0.469 491 F N 1.298 121.237 119.950 -0.018 0.000 2.559 491 F HA 0.109 4.636 4.527 0.001 0.000 0.286 491 F C 1.291 177.090 175.800 -0.002 0.000 1.108 491 F CA 0.307 58.301 58.000 -0.009 0.000 1.436 491 F CB 0.264 39.261 39.000 -0.005 0.000 1.130 491 F HN 0.104 nan 8.300 nan 0.000 0.584 492 D N -1.978 118.529 120.400 0.178 0.000 2.501 492 D HA 0.025 4.665 4.640 0.001 0.000 0.224 492 D C -0.233 176.107 176.300 0.066 0.000 1.202 492 D CA -0.028 54.041 54.000 0.115 0.000 0.829 492 D CB -0.820 40.057 40.800 0.129 0.000 1.023 492 D HN 0.013 nan 8.370 nan 0.000 0.499 493 N N 0.891 119.609 118.700 0.030 0.000 2.721 493 N HA -0.177 4.564 4.740 0.001 0.000 0.249 493 N C 1.122 176.638 175.510 0.011 0.000 1.072 493 N CA 1.334 54.383 53.050 -0.000 0.000 0.710 493 N CB -1.558 36.925 38.487 -0.006 0.000 0.993 493 N HN 0.688 nan 8.380 nan 0.000 0.547 494 G N -0.405 108.415 108.800 0.034 0.000 2.143 494 G HA2 -0.386 3.574 3.960 0.001 0.000 0.249 494 G HA3 -0.386 3.574 3.960 0.001 0.000 0.249 494 G C 0.662 175.620 174.900 0.097 0.000 0.981 494 G CA 1.054 46.186 45.100 0.053 0.000 0.665 494 G HN 0.621 nan 8.290 nan 0.000 0.528 495 E N -0.852 119.412 120.200 0.107 0.000 2.023 495 E HA -0.221 4.129 4.350 0.001 0.000 0.196 495 E C 1.970 178.688 176.600 0.195 0.000 1.003 495 E CA 1.572 58.050 56.400 0.129 0.000 0.809 495 E CB -0.195 29.574 29.700 0.115 0.000 0.755 495 E HN 0.666 nan 8.360 nan 0.000 0.449 496 Y N 0.715 121.061 120.300 0.076 0.000 2.181 496 Y HA -0.153 4.397 4.550 0.001 0.000 0.288 496 Y C 2.031 177.976 175.900 0.075 0.000 1.146 496 Y CA 1.526 59.670 58.100 0.074 0.000 1.164 496 Y CB -0.679 37.823 38.460 0.071 0.000 0.982 496 Y HN 0.179 nan 8.280 nan 0.000 0.515 497 A N -1.037 121.808 122.820 0.040 0.000 1.978 497 A HA -0.270 4.051 4.320 0.001 0.000 0.220 497 A C 2.010 179.565 177.584 -0.048 0.000 1.170 497 A CA 2.098 54.109 52.037 -0.044 0.000 0.636 497 A CB -1.120 17.904 19.000 0.039 0.000 0.810 497 A HN 0.729 nan 8.150 nan 0.000 0.448 498 H N -0.808 118.226 119.070 -0.061 0.000 2.384 498 H HA 0.042 4.598 4.556 0.001 0.000 0.300 498 H C 2.032 177.317 175.328 -0.072 0.000 1.057 498 H CA 1.493 57.512 56.048 -0.048 0.000 1.370 498 H CB -0.056 29.696 29.762 -0.015 0.000 1.417 498 H HN 0.560 nan 8.280 nan 0.000 0.527 499 E N 0.394 120.576 120.200 -0.029 0.000 2.150 499 E HA -0.161 4.189 4.350 0.001 0.000 0.193 499 E C 2.210 178.693 176.600 -0.197 0.000 0.985 499 E CA 1.013 57.369 56.400 -0.073 0.000 0.814 499 E CB -0.148 29.575 29.700 0.039 0.000 0.752 499 E HN 0.627 nan 8.360 nan 0.000 0.466 500 I N 1.145 121.504 120.570 -0.353 0.000 2.335 500 I HA -0.251 3.920 4.170 0.001 0.000 0.251 500 I C 1.319 177.297 176.117 -0.232 0.000 1.129 500 I CA 0.838 61.904 61.300 -0.390 0.000 1.402 500 I CB 0.114 37.764 38.000 -0.584 0.000 1.069 500 I HN 0.176 nan 8.210 nan 0.000 0.424 501 L N -0.945 120.146 121.223 -0.220 0.000 2.728 501 L HA 0.290 4.630 4.340 0.001 0.000 0.235 501 L C 0.392 177.166 176.870 -0.160 0.000 1.197 501 L CA 0.170 54.909 54.840 -0.168 0.000 0.992 501 L CB -1.286 40.681 42.059 -0.153 0.000 1.263 501 L HN 0.077 nan 8.230 nan 0.000 0.484 502 N N 1.747 120.354 118.700 -0.154 0.000 2.949 502 N HA 0.522 5.262 4.740 0.001 0.000 0.243 502 N C 0.449 175.920 175.510 -0.066 0.000 1.113 502 N CA 0.720 53.704 53.050 -0.111 0.000 0.980 502 N CB 0.121 38.548 38.487 -0.100 0.000 1.256 502 N HN 0.537 nan 8.380 nan 0.000 0.508 503 G N 1.947 110.716 108.800 -0.053 0.000 2.781 503 G HA2 -0.232 3.728 3.960 0.001 0.000 0.683 503 G HA3 -0.232 3.728 3.960 0.001 0.000 0.683 503 G C -0.821 174.062 174.900 -0.030 0.000 1.390 503 G CA -0.500 44.583 45.100 -0.028 0.000 0.850 503 G HN 0.723 nan 8.290 nan 0.000 0.557 504 D N -0.591 119.805 120.400 -0.007 0.000 2.401 504 D HA 0.311 4.951 4.640 0.001 0.000 0.254 504 D C 1.672 177.964 176.300 -0.013 0.000 1.192 504 D CA 0.136 54.136 54.000 -0.000 0.000 0.885 504 D CB 0.665 41.488 40.800 0.037 0.000 1.147 504 D HN 0.625 nan 8.370 nan 0.000 0.478 505 I N 4.611 125.137 120.570 -0.074 0.000 2.208 505 I HA -0.267 3.903 4.170 0.001 0.000 0.245 505 I C 1.653 177.717 176.117 -0.088 0.000 1.097 505 I CA 1.715 62.944 61.300 -0.119 0.000 1.363 505 I CB -0.236 37.624 38.000 -0.234 0.000 1.051 505 I HN 0.605 nan 8.210 nan 0.000 0.413 506 H N -0.562 118.546 119.070 0.063 0.000 2.428 506 H HA -0.022 4.534 4.556 0.001 0.000 0.296 506 H C 2.201 177.570 175.328 0.069 0.000 1.062 506 H CA 1.800 57.889 56.048 0.069 0.000 1.350 506 H CB -0.639 29.166 29.762 0.071 0.000 1.403 506 H HN 0.327 nan 8.280 nan 0.000 0.533 507 T N 0.661 115.310 114.554 0.158 0.000 2.857 507 T HA -0.084 4.266 4.350 0.001 0.000 0.266 507 T C 2.077 176.829 174.700 0.086 0.000 1.048 507 T CA 1.019 63.181 62.100 0.104 0.000 1.139 507 T CB 0.229 69.139 68.868 0.071 0.000 0.874 507 T HN 0.285 nan 8.240 nan 0.000 0.455 508 K N 0.964 121.409 120.400 0.076 0.000 2.025 508 K HA -0.073 4.248 4.320 0.001 0.000 0.207 508 K C 2.167 178.833 176.600 0.110 0.000 1.049 508 K CA 1.102 57.429 56.287 0.068 0.000 0.933 508 K CB -0.006 32.523 32.500 0.048 0.000 0.714 508 K HN 0.141 nan 8.250 nan 0.000 0.438 509 N N 0.948 119.749 118.700 0.167 0.000 2.166 509 N HA -0.205 4.536 4.740 0.001 0.000 0.186 509 N C 1.747 177.383 175.510 0.211 0.000 1.019 509 N CA 0.991 54.209 53.050 0.281 0.000 0.856 509 N CB -0.164 38.522 38.487 0.333 0.000 0.993 509 N HN 0.371 nan 8.380 nan 0.000 0.426 510 Q N 0.838 120.725 119.800 0.144 0.000 2.045 510 Q HA -0.136 4.205 4.340 0.001 0.000 0.206 510 Q C 2.117 178.143 176.000 0.045 0.000 0.991 510 Q CA 1.315 57.165 55.803 0.079 0.000 0.851 510 Q CB -0.098 28.683 28.738 0.073 0.000 0.911 510 Q HN 0.335 nan 8.270 nan 0.000 0.418 511 I N 0.566 121.166 120.570 0.049 0.000 2.076 511 I HA -0.322 3.849 4.170 0.001 0.000 0.237 511 I C 2.558 178.685 176.117 0.017 0.000 1.059 511 I CA 1.180 62.496 61.300 0.026 0.000 1.317 511 I CB -0.615 37.399 38.000 0.024 0.000 1.037 511 I HN 0.318 nan 8.210 nan 0.000 0.398 512 A N 0.752 123.591 122.820 0.033 0.000 1.892 512 A HA -0.230 4.091 4.320 0.001 0.000 0.218 512 A C 2.388 179.980 177.584 0.013 0.000 1.188 512 A CA 2.187 54.227 52.037 0.005 0.000 0.631 512 A CB -0.994 17.995 19.000 -0.018 0.000 0.822 512 A HN 0.494 nan 8.150 nan 0.000 0.447 513 A N -1.024 121.841 122.820 0.076 0.000 2.239 513 A HA 0.192 4.512 4.320 0.001 0.000 0.209 513 A C 0.623 178.148 177.584 -0.098 0.000 1.171 513 A CA 0.942 52.965 52.037 -0.024 0.000 0.768 513 A CB -0.668 18.210 19.000 -0.203 0.000 0.790 513 A HN 0.663 nan 8.150 nan 0.000 0.478 514 E N -0.977 119.194 120.200 -0.048 0.000 2.297 514 E HA -0.188 4.162 4.350 0.001 0.000 0.228 514 E C -0.719 175.843 176.600 -0.063 0.000 1.213 514 E CA 0.362 56.734 56.400 -0.047 0.000 0.712 514 E CB -1.917 27.755 29.700 -0.046 0.000 1.202 514 E HN 0.654 nan 8.360 nan 0.000 0.376 515 L N 0.316 121.501 121.223 -0.063 0.000 2.360 515 L HA 0.298 4.639 4.340 0.001 0.000 0.271 515 L C -0.481 176.374 176.870 -0.025 0.000 1.057 515 L CA -2.051 52.752 54.840 -0.062 0.000 0.803 515 L CB 0.458 42.469 42.059 -0.079 0.000 1.207 515 L HN -0.042 nan 8.230 nan 0.000 0.445 516 P HA -0.078 nan 4.420 nan 0.000 0.214 516 P C 0.393 177.695 177.300 0.003 0.000 1.162 516 P CA 1.199 64.296 63.100 -0.006 0.000 0.879 516 P CB 0.012 31.708 31.700 -0.006 0.000 0.786 517 T N -4.423 110.136 114.554 0.008 0.000 2.924 517 T HA 0.433 4.784 4.350 0.001 0.000 0.291 517 T C 0.989 175.704 174.700 0.026 0.000 1.045 517 T CA -0.937 61.172 62.100 0.015 0.000 1.015 517 T CB 2.652 71.527 68.868 0.013 0.000 1.103 517 T HN -0.099 nan 8.240 nan 0.000 0.496 518 R N 0.190 120.707 120.500 0.029 0.000 2.115 518 R HA -0.103 4.237 4.340 0.001 0.000 0.230 518 R C 1.138 177.452 176.300 0.023 0.000 1.111 518 R CA 1.549 57.675 56.100 0.044 0.000 0.976 518 R CB -0.327 30.001 30.300 0.046 0.000 0.870 518 R HN 0.690 nan 8.270 nan 0.000 0.445 519 D N -0.026 120.380 120.400 0.010 0.000 2.144 519 D HA -0.170 4.471 4.640 0.001 0.000 0.200 519 D C 1.413 177.727 176.300 0.023 0.000 0.978 519 D CA 0.891 54.892 54.000 0.001 0.000 0.833 519 D CB -0.357 40.447 40.800 0.006 0.000 0.961 519 D HN 0.399 nan 8.370 nan 0.000 0.470 520 N N 0.622 119.344 118.700 0.036 0.000 2.223 520 N HA -0.128 4.612 4.740 0.001 0.000 0.185 520 N C 1.679 177.247 175.510 0.098 0.000 1.016 520 N CA 0.847 53.931 53.050 0.057 0.000 0.863 520 N CB 0.210 38.717 38.487 0.034 0.000 0.983 520 N HN -0.001 nan 8.380 nan 0.000 0.429 521 A N 0.961 123.836 122.820 0.092 0.000 1.968 521 A HA -0.074 4.246 4.320 0.001 0.000 0.217 521 A C 2.132 179.823 177.584 0.177 0.000 1.169 521 A CA 0.946 53.083 52.037 0.166 0.000 0.638 521 A CB -0.145 18.950 19.000 0.158 0.000 0.812 521 A HN 0.266 nan 8.150 nan 0.000 0.446 522 K N -1.226 119.196 120.400 0.036 0.000 2.031 522 K HA -0.087 4.233 4.320 0.001 0.000 0.205 522 K C 2.264 178.935 176.600 0.119 0.000 1.049 522 K CA 1.577 57.824 56.287 -0.066 0.000 0.939 522 K CB -0.421 31.942 32.500 -0.228 0.000 0.717 522 K HN 0.429 nan 8.250 nan 0.000 0.438 523 T N 0.433 115.063 114.554 0.128 0.000 2.833 523 T HA -0.174 4.176 4.350 0.001 0.000 0.269 523 T C 1.562 176.350 174.700 0.147 0.000 1.054 523 T CA 1.147 63.337 62.100 0.151 0.000 1.135 523 T CB -0.246 68.691 68.868 0.115 0.000 0.869 523 T HN 0.243 nan 8.240 nan 0.000 0.466 524 F N 1.110 121.067 119.950 0.012 0.000 2.074 524 F HA 0.095 4.622 4.527 0.001 0.000 0.293 524 F C 1.899 177.661 175.800 -0.063 0.000 1.116 524 F CA 0.912 58.891 58.000 -0.035 0.000 1.212 524 F CB -0.950 37.991 39.000 -0.099 0.000 0.998 524 F HN 0.154 nan 8.300 nan 0.000 0.471 525 I N -0.072 120.173 120.570 -0.542 0.000 2.208 525 I HA -0.319 3.851 4.170 0.001 0.000 0.245 525 I C 1.986 177.799 176.117 -0.508 0.000 1.097 525 I CA 1.769 62.645 61.300 -0.707 0.000 1.363 525 I CB -0.829 36.939 38.000 -0.386 0.000 1.051 525 I HN 0.237 nan 8.210 nan 0.000 0.413 526 Y N 0.118 120.323 120.300 -0.158 0.000 2.395 526 Y HA 0.087 4.637 4.550 0.001 0.000 0.293 526 Y C 2.497 178.332 175.900 -0.110 0.000 1.123 526 Y CA 0.903 58.916 58.100 -0.145 0.000 1.227 526 Y CB -1.191 37.311 38.460 0.070 0.000 1.012 526 Y HN 0.172 nan 8.280 nan 0.000 0.552 527 G N -0.539 108.280 108.800 0.032 0.000 2.394 527 G HA2 -0.286 3.674 3.960 0.001 0.000 0.215 527 G HA3 -0.286 3.674 3.960 0.001 0.000 0.215 527 G C 1.634 176.503 174.900 -0.050 0.000 1.165 527 G CA 0.801 45.927 45.100 0.043 0.000 0.784 527 G HN 0.415 nan 8.290 nan 0.000 0.535 528 F N 1.332 121.055 119.950 -0.379 0.000 2.075 528 F HA -0.000 4.527 4.527 0.000 0.000 0.297 528 F C 2.216 177.832 175.800 -0.307 0.000 1.113 528 F CA 1.360 59.119 58.000 -0.401 0.000 1.218 528 F CB -0.640 37.895 39.000 -0.775 0.000 0.984 528 F HN 0.092 nan 8.300 nan 0.000 0.472 529 L N -0.037 120.674 121.223 -0.854 0.000 2.081 529 L HA -0.229 4.112 4.340 0.001 0.000 0.212 529 L C 0.924 177.373 176.870 -0.701 0.000 1.080 529 L CA 1.823 56.076 54.840 -0.979 0.000 0.754 529 L CB -1.240 40.318 42.059 -0.836 0.000 0.893 529 L HN 0.303 nan 8.230 nan 0.000 0.433 530 Y N 0.080 120.255 120.300 -0.208 0.000 2.746 530 Y HA 0.512 5.062 4.550 0.001 0.000 0.312 530 Y C 1.583 177.425 175.900 -0.097 0.000 1.117 530 Y CA -0.613 57.411 58.100 -0.126 0.000 1.324 530 Y CB -0.301 38.127 38.460 -0.052 0.000 1.173 530 Y HN 0.218 nan 8.280 nan 0.000 0.529 531 G N -0.272 108.506 108.800 -0.036 0.000 2.132 531 G HA2 -0.177 3.783 3.960 0.001 0.000 0.234 531 G HA3 -0.177 3.783 3.960 0.001 0.000 0.234 531 G C 0.448 175.381 174.900 0.054 0.000 0.989 531 G CA -0.129 44.983 45.100 0.020 0.000 0.676 531 G HN 0.705 nan 8.290 nan 0.000 0.522 532 A N 0.196 123.042 122.820 0.045 0.000 2.498 532 A HA 0.650 4.971 4.320 0.001 0.000 0.239 532 A C 1.330 178.960 177.584 0.077 0.000 1.068 532 A CA 1.053 53.134 52.037 0.073 0.000 0.766 532 A CB 0.336 19.384 19.000 0.081 0.000 1.003 532 A HN 1.804 nan 8.150 nan 0.000 0.497 533 G N 0.458 109.300 108.800 0.071 0.000 2.634 533 G HA2 0.319 4.280 3.960 0.001 0.000 0.255 533 G HA3 0.319 4.280 3.960 0.001 0.000 0.255 533 G C 0.361 175.312 174.900 0.085 0.000 1.205 533 G CA -0.047 45.093 45.100 0.066 0.000 0.884 533 G HN 0.713 nan 8.290 nan 0.000 0.549 534 D N -0.539 119.908 120.400 0.079 0.000 2.133 534 D HA -0.155 4.485 4.640 0.001 0.000 0.195 534 D C 1.979 178.327 176.300 0.079 0.000 0.997 534 D CA 1.614 55.665 54.000 0.085 0.000 0.840 534 D CB 0.064 40.904 40.800 0.068 0.000 0.947 534 D HN 0.720 nan 8.370 nan 0.000 0.452 535 E N 0.608 120.847 120.200 0.065 0.000 2.047 535 E HA -0.201 4.149 4.350 0.001 0.000 0.191 535 E C 1.947 178.588 176.600 0.068 0.000 0.987 535 E CA 1.077 57.513 56.400 0.060 0.000 0.799 535 E CB 0.125 29.855 29.700 0.049 0.000 0.752 535 E HN -0.120 nan 8.360 nan 0.000 0.449 536 K N 0.776 121.220 120.400 0.072 0.000 2.063 536 K HA -0.135 4.185 4.320 0.001 0.000 0.208 536 K C 1.890 178.550 176.600 0.100 0.000 1.048 536 K CA 1.336 57.670 56.287 0.078 0.000 0.928 536 K CB -0.408 32.138 32.500 0.077 0.000 0.713 536 K HN 0.199 nan 8.250 nan 0.000 0.442 537 I N 0.536 121.178 120.570 0.121 0.000 2.208 537 I HA -0.174 3.996 4.170 0.001 0.000 0.245 537 I C 2.258 178.461 176.117 0.143 0.000 1.097 537 I CA 1.801 63.206 61.300 0.174 0.000 1.363 537 I CB -1.694 36.433 38.000 0.213 0.000 1.051 537 I HN 0.404 nan 8.210 nan 0.000 0.413 538 G N 0.058 108.918 108.800 0.100 0.000 2.446 538 G HA2 -0.320 3.640 3.960 0.001 0.000 0.217 538 G HA3 -0.320 3.640 3.960 0.001 0.000 0.217 538 G C 1.562 176.497 174.900 0.059 0.000 1.168 538 G CA 0.831 45.971 45.100 0.067 0.000 0.771 538 G HN 0.465 nan 8.290 nan 0.000 0.551 539 Q N -0.010 119.828 119.800 0.064 0.000 2.077 539 Q HA -0.137 4.204 4.340 0.001 0.000 0.206 539 Q C 2.596 178.632 176.000 0.060 0.000 0.989 539 Q CA 1.498 57.334 55.803 0.056 0.000 0.853 539 Q CB -0.259 28.513 28.738 0.057 0.000 0.907 539 Q HN 0.578 nan 8.270 nan 0.000 0.418 540 I N 0.685 121.305 120.570 0.083 0.000 2.286 540 I HA -0.220 3.951 4.170 0.001 0.000 0.248 540 I C 2.134 178.296 176.117 0.074 0.000 1.115 540 I CA 1.182 62.539 61.300 0.095 0.000 1.392 540 I CB -0.124 37.965 38.000 0.149 0.000 1.065 540 I HN 0.250 nan 8.210 nan 0.000 0.418 541 V N -1.670 118.276 119.914 0.054 0.000 3.647 541 V HA 0.458 4.578 4.120 0.001 0.000 0.279 541 V C 1.120 177.211 176.094 -0.005 0.000 1.314 541 V CA 0.182 62.479 62.300 -0.005 0.000 1.125 541 V CB -0.600 31.178 31.823 -0.075 0.000 0.907 541 V HN 0.500 nan 8.190 nan 0.000 0.434 542 G N -0.083 108.726 108.800 0.015 0.000 2.324 542 G HA2 0.199 4.160 3.960 0.001 0.000 0.292 542 G HA3 0.199 4.160 3.960 0.001 0.000 0.292 542 G C 0.085 174.990 174.900 0.008 0.000 1.079 542 G CA 0.426 45.533 45.100 0.013 0.000 1.026 542 G HN 1.740 nan 8.290 nan 0.000 0.506 543 A N -1.292 121.536 122.820 0.014 0.000 2.733 543 A HA 1.063 5.383 4.320 0.001 0.000 0.299 543 A C 0.704 178.302 177.584 0.023 0.000 1.252 543 A CA 0.287 52.332 52.037 0.013 0.000 0.677 543 A CB 0.328 19.330 19.000 0.002 0.000 1.361 543 A HN 1.876 nan 8.150 nan 0.000 0.528 544 G N -1.183 107.631 108.800 0.023 0.000 2.642 544 G HA2 0.474 4.434 3.960 0.001 0.000 0.291 544 G HA3 0.474 4.434 3.960 0.001 0.000 0.291 544 G C 0.515 175.436 174.900 0.035 0.000 1.345 544 G CA 0.179 45.296 45.100 0.029 0.000 1.043 544 G HN 0.986 nan 8.290 nan 0.000 0.528 545 K N -0.810 119.612 120.400 0.037 0.000 2.288 545 K HA 0.019 4.339 4.320 0.001 0.000 0.201 545 K C 1.620 178.245 176.600 0.041 0.000 1.048 545 K CA 1.677 57.990 56.287 0.043 0.000 0.956 545 K CB 0.025 32.548 32.500 0.039 0.000 0.746 545 K HN 0.344 nan 8.250 nan 0.000 0.461 546 E N 1.320 121.539 120.200 0.032 0.000 2.072 546 E HA -0.156 4.194 4.350 0.001 0.000 0.191 546 E C 2.005 178.622 176.600 0.029 0.000 0.985 546 E CA 1.046 57.463 56.400 0.028 0.000 0.801 546 E CB -0.175 29.537 29.700 0.020 0.000 0.750 546 E HN 0.217 nan 8.360 nan 0.000 0.452 547 R N 0.983 121.498 120.500 0.025 0.000 2.115 547 R HA 0.016 4.356 4.340 0.001 0.000 0.230 547 R C 2.104 178.426 176.300 0.037 0.000 1.111 547 R CA 1.620 57.731 56.100 0.018 0.000 0.976 547 R CB -0.964 29.338 30.300 0.004 0.000 0.870 547 R HN 0.273 nan 8.270 nan 0.000 0.445 548 G N 0.570 109.404 108.800 0.056 0.000 2.421 548 G HA2 -0.250 3.710 3.960 0.001 0.000 0.216 548 G HA3 -0.250 3.710 3.960 0.001 0.000 0.216 548 G C 1.204 176.166 174.900 0.103 0.000 1.171 548 G CA 0.798 45.954 45.100 0.093 0.000 0.775 548 G HN 0.364 nan 8.290 nan 0.000 0.543 549 K N 0.469 120.915 120.400 0.077 0.000 2.063 549 K HA -0.089 4.231 4.320 0.001 0.000 0.208 549 K C 2.438 179.082 176.600 0.072 0.000 1.048 549 K CA 1.398 57.730 56.287 0.075 0.000 0.928 549 K CB -0.183 32.349 32.500 0.053 0.000 0.713 549 K HN 0.421 nan 8.250 nan 0.000 0.442 550 E N 0.587 120.821 120.200 0.055 0.000 2.049 550 E HA -0.210 4.141 4.350 0.001 0.000 0.198 550 E C 1.928 178.570 176.600 0.070 0.000 1.007 550 E CA 1.076 57.503 56.400 0.044 0.000 0.809 550 E CB -0.061 29.653 29.700 0.022 0.000 0.749 550 E HN 0.081 nan 8.360 nan 0.000 0.450 551 L N 1.387 122.670 121.223 0.101 0.000 2.083 551 L HA -0.163 4.178 4.340 0.001 0.000 0.209 551 L C 2.097 179.081 176.870 0.191 0.000 1.083 551 L CA 1.567 56.530 54.840 0.205 0.000 0.752 551 L CB -0.989 41.175 42.059 0.175 0.000 0.899 551 L HN 0.049 nan 8.230 nan 0.000 0.433 552 K N 0.742 121.222 120.400 0.134 0.000 1.991 552 K HA -0.202 4.118 4.320 0.001 0.000 0.212 552 K C 1.915 178.595 176.600 0.133 0.000 1.049 552 K CA 1.705 58.079 56.287 0.145 0.000 0.932 552 K CB -0.408 32.218 32.500 0.210 0.000 0.717 552 K HN 0.501 nan 8.250 nan 0.000 0.441 553 K N 0.925 121.389 120.400 0.107 0.000 2.148 553 K HA -0.078 4.243 4.320 0.001 0.000 0.204 553 K C 2.116 178.737 176.600 0.035 0.000 1.050 553 K CA 0.886 57.219 56.287 0.076 0.000 0.942 553 K CB -0.076 32.455 32.500 0.050 0.000 0.724 553 K HN -0.132 nan 8.250 nan 0.000 0.446 554 K N 0.807 121.220 120.400 0.022 0.000 2.147 554 K HA -0.084 4.236 4.320 0.001 0.000 0.205 554 K C 1.510 177.990 176.600 -0.200 0.000 1.049 554 K CA 1.277 57.518 56.287 -0.076 0.000 0.936 554 K CB -0.100 32.359 32.500 -0.069 0.000 0.722 554 K HN 0.219 nan 8.250 nan 0.000 0.446 555 F N -0.119 119.711 119.950 -0.200 0.000 2.619 555 F HA 0.020 4.547 4.527 0.001 0.000 0.293 555 F C 1.982 177.728 175.800 -0.091 0.000 1.119 555 F CA -0.004 57.839 58.000 -0.261 0.000 1.445 555 F CB -0.091 38.489 39.000 -0.699 0.000 1.119 555 F HN -0.070 nan 8.300 nan 0.000 0.573 556 L N 0.202 121.524 121.223 0.165 0.000 2.072 556 L HA -0.114 4.226 4.340 0.001 0.000 0.205 556 L C 2.117 179.032 176.870 0.075 0.000 1.079 556 L CA 1.733 56.700 54.840 0.213 0.000 0.752 556 L CB -0.439 41.747 42.059 0.212 0.000 0.906 556 L HN -0.073 nan 8.230 nan 0.000 0.436 557 E N -0.420 119.796 120.200 0.027 0.000 2.051 557 E HA -0.254 4.096 4.350 0.001 0.000 0.192 557 E C 2.002 178.588 176.600 -0.024 0.000 0.991 557 E CA 1.370 57.765 56.400 -0.007 0.000 0.799 557 E CB -0.338 29.346 29.700 -0.027 0.000 0.748 557 E HN 0.462 nan 8.360 nan 0.000 0.449 558 N N -0.156 118.510 118.700 -0.056 0.000 2.091 558 N HA -0.128 4.612 4.740 0.001 0.000 0.193 558 N C -0.095 175.404 175.510 -0.018 0.000 1.021 558 N CA 1.753 54.766 53.050 -0.063 0.000 0.862 558 N CB 0.048 38.452 38.487 -0.137 0.000 1.018 558 N HN 0.202 nan 8.380 nan 0.000 0.429 559 T N -3.091 111.455 114.554 -0.014 0.000 3.209 559 T HA 0.355 4.706 4.350 0.001 0.000 0.366 559 T C -2.309 172.372 174.700 -0.030 0.000 1.293 559 T CA -1.572 60.507 62.100 -0.035 0.000 1.417 559 T CB 1.763 70.543 68.868 -0.148 0.000 1.013 559 T HN 0.009 nan 8.240 nan 0.000 0.572 560 P HA 0.075 nan 4.420 nan 0.000 0.234 560 P C 1.427 178.680 177.300 -0.080 0.000 1.167 560 P CA 0.290 63.369 63.100 -0.034 0.000 0.763 560 P CB -0.021 31.666 31.700 -0.022 0.000 0.835 561 A N -0.046 122.730 122.820 -0.075 0.000 2.119 561 A HA -0.052 4.268 4.320 0.001 0.000 0.217 561 A C 2.185 179.639 177.584 -0.217 0.000 1.153 561 A CA 0.521 52.482 52.037 -0.126 0.000 0.692 561 A CB -1.249 17.762 19.000 0.019 0.000 0.799 561 A HN 0.130 nan 8.150 nan 0.000 0.458 562 I N -0.309 120.170 120.570 -0.152 0.000 2.179 562 I HA -0.290 3.881 4.170 0.001 0.000 0.242 562 I C 2.964 178.965 176.117 -0.193 0.000 1.088 562 I CA 1.145 62.350 61.300 -0.158 0.000 1.357 562 I CB -0.384 37.542 38.000 -0.123 0.000 1.051 562 I HN 0.367 nan 8.210 nan 0.000 0.409 563 A N 0.810 123.528 122.820 -0.171 0.000 1.902 563 A HA -0.153 4.167 4.320 0.001 0.000 0.217 563 A C 2.555 179.984 177.584 -0.259 0.000 1.181 563 A CA 1.829 53.766 52.037 -0.167 0.000 0.623 563 A CB -0.778 18.154 19.000 -0.113 0.000 0.818 563 A HN 0.437 nan 8.150 nan 0.000 0.443 564 A N -0.441 122.138 122.820 -0.402 0.000 1.877 564 A HA -0.045 4.275 4.320 0.001 0.000 0.216 564 A C 2.141 179.202 177.584 -0.872 0.000 1.186 564 A CA 1.789 53.403 52.037 -0.705 0.000 0.620 564 A CB -0.641 17.706 19.000 -1.088 0.000 0.822 564 A HN 0.713 nan 8.150 nan 0.000 0.443 565 L N -0.136 120.626 121.223 -0.769 0.000 2.017 565 L HA -0.114 4.226 4.340 0.001 0.000 0.208 565 L C 2.408 179.174 176.870 -0.174 0.000 1.073 565 L CA 2.011 56.649 54.840 -0.338 0.000 0.745 565 L CB -0.717 41.283 42.059 -0.098 0.000 0.894 565 L HN 0.354 nan 8.230 nan 0.000 0.432 566 R N -0.341 120.053 120.500 -0.176 0.000 2.103 566 R HA -0.194 4.147 4.340 0.001 0.000 0.242 566 R C 2.128 178.367 176.300 -0.102 0.000 1.142 566 R CA 1.985 58.015 56.100 -0.118 0.000 0.960 566 R CB -0.368 29.861 30.300 -0.118 0.000 0.858 566 R HN 0.576 nan 8.270 nan 0.000 0.439 567 E N 0.054 120.177 120.200 -0.129 0.000 2.047 567 E HA -0.160 4.191 4.350 0.001 0.000 0.191 567 E C 2.150 178.718 176.600 -0.053 0.000 0.987 567 E CA 1.601 57.946 56.400 -0.092 0.000 0.799 567 E CB -0.076 29.562 29.700 -0.103 0.000 0.752 567 E HN 0.354 nan 8.360 nan 0.000 0.449 568 S N 1.304 116.985 115.700 -0.031 0.000 2.370 568 S HA -0.187 4.284 4.470 0.001 0.000 0.226 568 S C 2.130 176.737 174.600 0.012 0.000 1.033 568 S CA 0.898 59.126 58.200 0.047 0.000 1.011 568 S CB -0.618 62.703 63.200 0.201 0.000 0.852 568 S HN 0.166 nan 8.310 nan 0.000 0.457 569 I N 1.487 122.051 120.570 -0.011 0.000 2.127 569 I HA -0.207 3.963 4.170 0.001 0.000 0.241 569 I C 3.207 179.306 176.117 -0.031 0.000 1.075 569 I CA 1.571 62.854 61.300 -0.030 0.000 1.334 569 I CB -0.497 37.475 38.000 -0.047 0.000 1.040 569 I HN 0.326 nan 8.210 nan 0.000 0.405 570 Q N 0.382 120.157 119.800 -0.042 0.000 2.061 570 Q HA -0.278 4.062 4.340 0.001 0.000 0.204 570 Q C 2.160 178.126 176.000 -0.058 0.000 0.984 570 Q CA 1.621 57.390 55.803 -0.057 0.000 0.846 570 Q CB -0.430 28.268 28.738 -0.067 0.000 0.902 570 Q HN 0.541 nan 8.270 nan 0.000 0.421 571 Q N -0.287 119.488 119.800 -0.043 0.000 2.364 571 Q HA -0.090 4.250 4.340 0.001 0.000 0.207 571 Q C 1.219 177.199 176.000 -0.034 0.000 0.970 571 Q CA 1.170 56.950 55.803 -0.037 0.000 0.888 571 Q CB 0.276 29.002 28.738 -0.020 0.000 0.951 571 Q HN 0.335 nan 8.270 nan 0.000 0.469 572 T N 0.224 114.758 114.554 -0.033 0.000 3.009 572 T HA 0.097 4.447 4.350 0.001 0.000 0.258 572 T C 1.756 176.429 174.700 -0.045 0.000 1.063 572 T CA 0.411 62.485 62.100 -0.044 0.000 1.139 572 T CB 0.182 69.019 68.868 -0.051 0.000 0.890 572 T HN 0.203 nan 8.240 nan 0.000 0.471 573 L N 0.238 121.454 121.223 -0.012 0.000 2.316 573 L HA 0.285 4.626 4.340 0.001 0.000 0.207 573 L C 0.430 177.334 176.870 0.055 0.000 1.070 573 L CA 0.187 55.076 54.840 0.082 0.000 0.820 573 L CB 0.079 42.263 42.059 0.209 0.000 0.992 573 L HN 0.022 nan 8.230 nan 0.000 0.466 574 V N 0.390 120.244 119.914 -0.099 0.000 2.732 574 V HA 0.140 4.260 4.120 0.001 0.000 0.310 574 V C 0.578 176.589 176.094 -0.139 0.000 1.053 574 V CA -0.399 61.766 62.300 -0.225 0.000 0.957 574 V CB 1.717 33.333 31.823 -0.344 0.000 1.018 574 V HN 0.394 nan 8.190 nan 0.000 0.452 575 E N 1.191 121.304 120.200 -0.145 0.000 2.541 575 E HA 0.377 4.727 4.350 0.001 0.000 0.219 575 E C 0.149 176.688 176.600 -0.102 0.000 0.922 575 E CA 0.446 56.791 56.400 -0.091 0.000 1.095 575 E CB 1.028 30.697 29.700 -0.053 0.000 1.112 575 E HN 0.774 nan 8.360 nan 0.000 0.516 576 S N -0.567 115.044 115.700 -0.149 0.000 2.727 576 S HA 0.453 4.923 4.470 0.001 0.000 0.275 576 S C -0.868 173.624 174.600 -0.181 0.000 0.995 576 S CA -0.411 57.709 58.200 -0.134 0.000 0.893 576 S CB 0.685 63.833 63.200 -0.087 0.000 1.135 576 S HN 0.581 nan 8.310 nan 0.000 0.460 585 Q N -1.011 118.790 119.800 0.002 0.000 3.226 585 Q HA -0.080 4.261 4.340 0.001 0.000 0.031 585 Q C -0.477 175.505 176.000 -0.029 0.000 1.706 585 Q CA 0.968 56.781 55.803 0.016 0.000 0.243 585 Q CB -1.234 27.518 28.738 0.024 0.000 0.589 585 Q HN 1.163 nan 8.270 nan 0.000 0.324 586 V N 3.008 122.903 119.914 -0.032 0.000 2.630 586 V HA 0.378 4.498 4.120 0.001 0.000 0.305 586 V C 0.416 176.383 176.094 -0.213 0.000 1.046 586 V CA -0.618 61.546 62.300 -0.227 0.000 0.934 586 V CB 2.006 33.516 31.823 -0.522 0.000 1.003 586 V HN 0.511 nan 8.190 nan 0.000 0.451 587 K N 3.301 123.532 120.400 -0.281 0.000 2.316 587 K HA 0.347 4.668 4.320 0.001 0.000 0.267 587 K C -1.438 175.041 176.600 -0.202 0.000 1.025 587 K CA -0.294 55.919 56.287 -0.124 0.000 0.896 587 K CB 1.025 33.482 32.500 -0.072 0.000 1.124 587 K HN 0.577 nan 8.250 nan 0.000 0.451 588 W N 2.555 123.853 121.300 -0.004 0.000 2.376 588 W HA 0.274 4.934 4.660 0.001 0.000 0.322 588 W C 1.384 177.885 176.519 -0.030 0.000 1.160 588 W CA -0.537 56.796 57.345 -0.020 0.000 1.218 588 W CB 0.854 30.307 29.460 -0.011 0.000 1.205 588 W HN 0.537 nan 8.180 nan 0.000 0.559 589 K N 0.913 121.422 120.400 0.182 0.000 2.128 589 K HA 0.121 4.441 4.320 0.001 0.000 0.202 589 K C 0.396 177.026 176.600 0.050 0.000 1.050 589 K CA 0.842 57.172 56.287 0.073 0.000 0.966 589 K CB 0.282 32.790 32.500 0.012 0.000 0.759 589 K HN 0.392 nan 8.250 nan 0.000 0.454 590 R N -0.149 120.385 120.500 0.057 0.000 2.536 590 R HA 0.153 4.494 4.340 0.001 0.000 0.269 590 R C -1.122 175.116 176.300 -0.103 0.000 1.113 590 R CA -0.421 55.593 56.100 -0.143 0.000 0.948 590 R CB 1.306 31.352 30.300 -0.424 0.000 1.237 590 R HN -0.028 nan 8.270 nan 0.000 0.441 591 R N 4.309 124.696 120.500 -0.188 0.000 2.586 591 R HA 0.197 4.537 4.340 0.001 0.000 0.306 591 R C -0.933 175.274 176.300 -0.155 0.000 1.079 591 R CA -0.075 55.803 56.100 -0.370 0.000 1.083 591 R CB 0.446 30.366 30.300 -0.634 0.000 1.306 591 R HN 0.485 nan 8.270 nan 0.000 0.567 592 W N -0.164 121.062 121.300 -0.123 0.000 3.167 592 W HA 0.404 5.065 4.660 0.001 0.000 0.324 592 W C -1.586 174.898 176.519 -0.057 0.000 1.230 592 W CA -1.148 56.139 57.345 -0.096 0.000 1.184 592 W CB 0.421 29.842 29.460 -0.065 0.000 1.414 592 W HN -0.346 nan 8.180 nan 0.000 0.551 593 I N 2.670 123.400 120.570 0.267 0.000 2.437 593 I HA 0.237 4.408 4.170 0.001 0.000 0.298 593 I C 0.259 176.595 176.117 0.365 0.000 0.984 593 I CA -1.011 60.389 61.300 0.166 0.000 1.214 593 I CB 1.731 39.766 38.000 0.058 0.000 1.365 593 I HN 0.440 nan 8.210 nan 0.000 0.469 594 K N 4.244 124.829 120.400 0.309 0.000 2.312 594 K HA 0.422 4.742 4.320 0.001 0.000 0.287 594 K C 0.311 177.020 176.600 0.182 0.000 1.062 594 K CA -0.309 56.184 56.287 0.342 0.000 0.934 594 K CB 0.743 33.438 32.500 0.324 0.000 1.027 594 K HN 0.838 nan 8.250 nan 0.000 0.478 595 G N 3.000 111.884 108.800 0.140 0.000 2.651 595 G HA2 0.063 4.023 3.960 0.001 0.000 0.260 595 G HA3 0.063 4.023 3.960 0.001 0.000 0.260 595 G C 0.906 175.788 174.900 -0.030 0.000 1.216 595 G CA -0.655 44.486 45.100 0.068 0.000 0.913 595 G HN 0.738 nan 8.290 nan 0.000 0.535 596 L N -0.123 120.991 121.223 -0.182 0.000 2.187 596 L HA -0.056 4.284 4.340 0.001 0.000 0.213 596 L C 1.902 178.356 176.870 -0.694 0.000 1.100 596 L CA 1.534 56.027 54.840 -0.579 0.000 0.765 596 L CB -0.231 41.178 42.059 -1.084 0.000 0.904 596 L HN 0.682 nan 8.230 nan 0.000 0.437 597 D N -1.470 118.747 120.400 -0.304 0.000 2.368 597 D HA 0.142 4.782 4.640 0.001 0.000 0.218 597 D C 1.331 177.668 176.300 0.061 0.000 1.112 597 D CA 0.570 54.598 54.000 0.046 0.000 0.834 597 D CB 0.518 41.501 40.800 0.305 0.000 0.953 597 D HN 0.219 nan 8.370 nan 0.000 0.505 598 G N 1.100 109.905 108.800 0.007 0.000 2.234 598 G HA2 -0.308 3.652 3.960 0.001 0.000 0.235 598 G HA3 -0.308 3.652 3.960 0.001 0.000 0.235 598 G C 0.489 175.422 174.900 0.056 0.000 0.997 598 G CA 0.034 45.137 45.100 0.005 0.000 0.623 598 G HN 0.685 nan 8.290 nan 0.000 0.514 599 R N 0.998 121.552 120.500 0.090 0.000 2.774 599 R HA 0.469 4.809 4.340 0.001 0.000 0.269 599 R C -0.336 175.986 176.300 0.037 0.000 1.068 599 R CA -0.034 56.143 56.100 0.129 0.000 1.180 599 R CB 0.519 30.968 30.300 0.248 0.000 1.077 599 R HN 0.237 nan 8.270 nan 0.000 0.513 600 K N 1.217 121.509 120.400 -0.181 0.000 2.258 600 K HA 0.241 4.561 4.320 0.001 0.000 0.284 600 K C -0.869 175.721 176.600 -0.016 0.000 1.051 600 K CA -0.560 55.502 56.287 -0.375 0.000 0.923 600 K CB 1.743 33.651 32.500 -0.986 0.000 1.046 600 K HN 0.306 nan 8.250 nan 0.000 0.474 601 V N 3.753 123.754 119.914 0.146 0.000 2.313 601 V HA 0.046 4.167 4.120 0.001 0.000 0.278 601 V C -0.227 175.976 176.094 0.181 0.000 1.017 601 V CA -0.900 61.484 62.300 0.141 0.000 0.823 601 V CB 0.463 32.354 31.823 0.114 0.000 1.010 601 V HN 0.720 nan 8.190 nan 0.000 0.443 602 H N 4.386 123.489 119.070 0.055 0.000 2.964 602 H HA 0.289 4.846 4.556 0.001 0.000 0.328 602 H C -0.484 174.831 175.328 -0.022 0.000 1.030 602 H CA 0.296 56.358 56.048 0.023 0.000 1.445 602 H CB 0.928 30.679 29.762 -0.018 0.000 1.449 602 H HN 0.404 nan 8.280 nan 0.000 0.581 603 V N 7.944 127.492 119.914 -0.610 0.000 2.370 603 V HA 0.199 4.319 4.120 0.001 0.000 0.279 603 V C 1.248 176.873 176.094 -0.781 0.000 1.029 603 V CA -0.380 61.626 62.300 -0.489 0.000 0.870 603 V CB 1.324 32.990 31.823 -0.261 0.000 0.984 603 V HN 0.905 nan 8.190 nan 0.000 0.451 604 R N 2.027 122.292 120.500 -0.391 0.000 2.100 604 R HA 0.150 4.490 4.340 0.001 0.000 0.220 604 R C 0.719 177.043 176.300 0.039 0.000 1.091 604 R CA 0.713 56.697 56.100 -0.192 0.000 0.986 604 R CB 0.306 30.587 30.300 -0.031 0.000 0.888 604 R HN 0.621 nan 8.270 nan 0.000 0.444 605 S N -1.178 114.588 115.700 0.111 0.000 2.536 605 S HA 0.291 4.762 4.470 0.001 0.000 0.271 605 S C -2.404 172.345 174.600 0.248 0.000 1.134 605 S CA -1.640 56.730 58.200 0.282 0.000 0.897 605 S CB 1.890 65.247 63.200 0.261 0.000 1.094 605 S HN -0.231 nan 8.310 nan 0.000 0.473 606 P HA -0.149 nan 4.420 nan 0.000 0.217 606 P C 1.219 178.561 177.300 0.070 0.000 1.148 606 P CA 1.233 64.380 63.100 0.079 0.000 0.828 606 P CB -0.182 31.453 31.700 -0.108 0.000 0.783 607 H N -1.239 117.835 119.070 0.007 0.000 2.529 607 H HA 0.257 4.813 4.556 0.001 0.000 0.277 607 H C 1.149 176.481 175.328 0.007 0.000 0.999 607 H CA 1.233 57.279 56.048 -0.003 0.000 1.256 607 H CB -0.348 29.411 29.762 -0.005 0.000 1.402 607 H HN 0.032 nan 8.280 nan 0.000 0.566 608 A N 0.666 123.171 122.820 -0.524 0.000 2.348 608 A HA 0.577 4.898 4.320 0.001 0.000 0.224 608 A C 2.391 179.853 177.584 -0.203 0.000 1.227 608 A CA 0.428 52.199 52.037 -0.443 0.000 0.885 608 A CB -0.281 18.418 19.000 -0.500 0.000 0.933 608 A HN 0.503 nan 8.150 nan 0.000 0.506 609 A N 0.312 123.068 122.820 -0.107 0.000 1.883 609 A HA -0.136 4.185 4.320 0.001 0.000 0.217 609 A C 2.009 179.555 177.584 -0.064 0.000 1.186 609 A CA 1.856 53.860 52.037 -0.055 0.000 0.624 609 A CB -0.598 18.400 19.000 -0.003 0.000 0.822 609 A HN 0.795 nan 8.150 nan 0.000 0.444 610 L N 0.869 122.071 121.223 -0.035 0.000 2.079 610 L HA -0.191 4.149 4.340 0.001 0.000 0.210 610 L C 2.096 179.002 176.870 0.059 0.000 1.081 610 L CA 2.514 57.365 54.840 0.018 0.000 0.752 610 L CB -0.819 41.279 42.059 0.065 0.000 0.896 610 L HN 0.586 nan 8.230 nan 0.000 0.433 611 N N -1.316 117.345 118.700 -0.064 0.000 2.188 611 N HA -0.185 4.555 4.740 0.001 0.000 0.184 611 N C 1.556 176.904 175.510 -0.269 0.000 1.018 611 N CA 1.868 54.646 53.050 -0.454 0.000 0.858 611 N CB 0.009 38.053 38.487 -0.739 0.000 0.989 611 N HN 0.440 nan 8.380 nan 0.000 0.426 612 T N 1.887 116.337 114.554 -0.173 0.000 2.684 612 T HA -0.147 4.204 4.350 0.001 0.000 0.267 612 T C 1.949 176.610 174.700 -0.064 0.000 1.036 612 T CA 1.072 63.105 62.100 -0.111 0.000 1.148 612 T CB -0.334 68.479 68.868 -0.091 0.000 0.863 612 T HN 0.174 nan 8.240 nan 0.000 0.436 613 L N 0.807 121.984 121.223 -0.077 0.000 1.994 613 L HA 0.007 4.347 4.340 0.001 0.000 0.208 613 L C 2.171 179.038 176.870 -0.005 0.000 1.071 613 L CA 1.704 56.473 54.840 -0.119 0.000 0.745 613 L CB -0.580 41.314 42.059 -0.276 0.000 0.892 613 L HN 0.250 nan 8.230 nan 0.000 0.431 614 L N -1.138 120.139 121.223 0.090 0.000 2.072 614 L HA -0.158 4.182 4.340 0.001 0.000 0.205 614 L C 2.654 179.647 176.870 0.205 0.000 1.079 614 L CA 1.428 56.429 54.840 0.268 0.000 0.752 614 L CB -0.721 41.591 42.059 0.422 0.000 0.906 614 L HN 0.446 nan 8.230 nan 0.000 0.436 615 Q N -0.359 119.472 119.800 0.053 0.000 2.167 615 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 615 Q C 2.404 178.443 176.000 0.065 0.000 0.970 615 Q CA 1.774 57.578 55.803 0.001 0.000 0.855 615 Q CB 0.082 28.735 28.738 -0.142 0.000 0.911 615 Q HN 0.366 nan 8.270 nan 0.000 0.438 616 S N -0.461 115.282 115.700 0.073 0.000 2.355 616 S HA -0.110 4.360 4.470 0.001 0.000 0.222 616 S C 1.931 176.623 174.600 0.153 0.000 1.031 616 S CA 1.070 59.332 58.200 0.103 0.000 0.993 616 S CB -0.260 62.989 63.200 0.081 0.000 0.859 616 S HN 0.523 nan 8.310 nan 0.000 0.453 617 A N 0.893 123.839 122.820 0.210 0.000 1.883 617 A HA 0.077 4.398 4.320 0.001 0.000 0.217 617 A C 2.358 180.068 177.584 0.211 0.000 1.186 617 A CA 1.911 54.106 52.037 0.263 0.000 0.624 617 A CB -1.676 17.645 19.000 0.535 0.000 0.822 617 A HN 0.639 nan 8.150 nan 0.000 0.444 618 G N -0.875 108.059 108.800 0.223 0.000 2.422 618 G HA2 0.063 4.023 3.960 0.001 0.000 0.218 618 G HA3 0.063 4.023 3.960 0.001 0.000 0.218 618 G C 1.662 176.699 174.900 0.228 0.000 1.140 618 G CA 1.328 46.545 45.100 0.194 0.000 0.775 618 G HN 0.794 nan 8.290 nan 0.000 0.545 619 A N 0.470 123.427 122.820 0.228 0.000 1.929 619 A HA 0.212 4.532 4.320 0.001 0.000 0.216 619 A C 2.361 180.161 177.584 0.360 0.000 1.176 619 A CA 0.891 53.106 52.037 0.297 0.000 0.628 619 A CB -0.266 18.870 19.000 0.227 0.000 0.816 619 A HN 0.334 nan 8.150 nan 0.000 0.444 620 L N -0.805 120.595 121.223 0.294 0.000 2.179 620 L HA -0.051 4.290 4.340 0.001 0.000 0.208 620 L C 2.391 179.563 176.870 0.503 0.000 1.096 620 L CA 0.739 55.790 54.840 0.351 0.000 0.779 620 L CB -0.491 41.688 42.059 0.200 0.000 0.922 620 L HN 0.353 nan 8.230 nan 0.000 0.443 621 I N -0.469 120.352 120.570 0.419 0.000 2.202 621 I HA -0.319 3.852 4.170 0.001 0.000 0.242 621 I C 2.595 178.925 176.117 0.355 0.000 1.091 621 I CA 1.173 62.708 61.300 0.391 0.000 1.368 621 I CB -0.187 37.877 38.000 0.108 0.000 1.058 621 I HN 0.352 nan 8.210 nan 0.000 0.410 622 C N 0.383 119.919 119.300 0.395 0.000 2.422 622 C HA -0.157 4.303 4.460 0.001 0.000 0.279 622 C C 2.778 178.061 174.990 0.489 0.000 1.305 622 C CA 0.819 60.187 59.018 0.584 0.000 1.757 622 C CB -0.929 27.239 27.740 0.712 0.000 1.962 622 C HN 0.432 nan 8.230 nan 0.000 0.499 623 K N 0.535 121.173 120.400 0.396 0.000 2.025 623 K HA -0.063 4.257 4.320 0.001 0.000 0.207 623 K C 2.031 178.661 176.600 0.050 0.000 1.049 623 K CA 1.060 57.423 56.287 0.126 0.000 0.933 623 K CB -0.289 32.376 32.500 0.275 0.000 0.714 623 K HN 0.420 nan 8.250 nan 0.000 0.438 624 L N 0.254 121.584 121.223 0.178 0.000 2.141 624 L HA -0.156 4.184 4.340 0.001 0.000 0.209 624 L C 2.116 179.028 176.870 0.069 0.000 1.094 624 L CA 0.993 55.875 54.840 0.070 0.000 0.763 624 L CB -0.289 41.758 42.059 -0.020 0.000 0.908 624 L HN 0.470 nan 8.230 nan 0.000 0.437 625 W N 1.672 122.947 121.300 -0.041 0.000 2.355 625 W HA -0.241 4.419 4.660 0.001 0.000 0.309 625 W C 2.350 178.804 176.519 -0.107 0.000 1.206 625 W CA 2.299 59.615 57.345 -0.049 0.000 1.284 625 W CB -0.485 28.982 29.460 0.012 0.000 1.145 625 W HN 0.269 nan 8.180 nan 0.000 0.502 626 I N -1.373 118.959 120.570 -0.396 0.000 2.394 626 I HA -0.205 3.965 4.170 0.001 0.000 0.251 626 I C 2.170 178.065 176.117 -0.370 0.000 1.136 626 I CA 1.741 62.676 61.300 -0.608 0.000 1.425 626 I CB -0.902 36.699 38.000 -0.664 0.000 1.079 626 I HN 0.033 nan 8.210 nan 0.000 0.425 627 I N 1.392 121.782 120.570 -0.301 0.000 2.202 627 I HA -0.241 3.929 4.170 0.001 0.000 0.242 627 I C 2.645 178.591 176.117 -0.285 0.000 1.091 627 I CA 1.497 62.640 61.300 -0.261 0.000 1.368 627 I CB -0.361 37.517 38.000 -0.202 0.000 1.058 627 I HN 0.189 nan 8.210 nan 0.000 0.410 628 K N 0.846 121.065 120.400 -0.301 0.000 2.097 628 K HA -0.119 4.201 4.320 0.001 0.000 0.205 628 K C 1.984 178.378 176.600 -0.344 0.000 1.050 628 K CA 1.696 57.744 56.287 -0.399 0.000 0.938 628 K CB -0.439 31.796 32.500 -0.441 0.000 0.718 628 K HN 0.181 nan 8.250 nan 0.000 0.442 629 T N 0.686 115.045 114.554 -0.324 0.000 2.708 629 T HA -0.143 4.207 4.350 0.001 0.000 0.266 629 T C 1.568 176.096 174.700 -0.286 0.000 1.037 629 T CA 1.507 63.413 62.100 -0.323 0.000 1.146 629 T CB -0.235 68.345 68.868 -0.479 0.000 0.865 629 T HN 0.391 nan 8.240 nan 0.000 0.435 630 E N 0.798 120.864 120.200 -0.223 0.000 2.077 630 E HA -0.191 4.159 4.350 0.001 0.000 0.193 630 E C 2.228 178.732 176.600 -0.160 0.000 0.989 630 E CA 1.144 57.442 56.400 -0.170 0.000 0.800 630 E CB -0.057 29.528 29.700 -0.191 0.000 0.746 630 E HN 0.600 nan 8.360 nan 0.000 0.452 631 E N -0.029 120.046 120.200 -0.208 0.000 2.077 631 E HA -0.185 4.165 4.350 0.001 0.000 0.193 631 E C 2.201 178.676 176.600 -0.208 0.000 0.989 631 E CA 1.165 57.442 56.400 -0.205 0.000 0.800 631 E CB -0.010 29.529 29.700 -0.268 0.000 0.746 631 E HN 0.281 nan 8.360 nan 0.000 0.452 632 M N 0.176 119.625 119.600 -0.252 0.000 2.159 632 M HA -0.149 4.331 4.480 0.001 0.000 0.263 632 M C 2.233 178.415 176.300 -0.197 0.000 1.063 632 M CA 1.111 56.273 55.300 -0.228 0.000 1.110 632 M CB -0.081 32.375 32.600 -0.240 0.000 1.374 632 M HN 0.215 nan 8.290 nan 0.000 0.411 633 L N -0.954 120.125 121.223 -0.241 0.000 2.056 633 L HA -0.174 4.166 4.340 0.001 0.000 0.207 633 L C 2.414 179.220 176.870 -0.107 0.000 1.078 633 L CA 0.815 55.492 54.840 -0.273 0.000 0.749 633 L CB -0.682 41.003 42.059 -0.622 0.000 0.901 633 L HN 0.104 nan 8.230 nan 0.000 0.433 634 V N 0.792 120.681 119.914 -0.042 0.000 2.295 634 V HA -0.273 3.848 4.120 0.001 0.000 0.246 634 V C 2.396 178.467 176.094 -0.038 0.000 1.049 634 V CA 2.177 64.486 62.300 0.014 0.000 1.024 634 V CB -0.653 31.172 31.823 0.004 0.000 0.648 634 V HN 0.638 nan 8.190 nan 0.000 0.447 635 E N 0.039 120.193 120.200 -0.078 0.000 2.472 635 E HA -0.194 4.156 4.350 0.001 0.000 0.200 635 E C 1.687 178.247 176.600 -0.068 0.000 1.046 635 E CA 0.754 57.107 56.400 -0.077 0.000 0.871 635 E CB -0.216 29.425 29.700 -0.098 0.000 0.806 635 E HN 0.535 nan 8.360 nan 0.000 0.533 636 K N -0.083 120.275 120.400 -0.070 0.000 2.393 636 K HA 0.104 4.424 4.320 0.001 0.000 0.193 636 K C 0.978 177.552 176.600 -0.042 0.000 1.026 636 K CA 0.481 56.729 56.287 -0.064 0.000 1.064 636 K CB 0.721 33.169 32.500 -0.086 0.000 0.833 636 K HN 0.334 nan 8.250 nan 0.000 0.521 637 G N 0.681 109.465 108.800 -0.026 0.000 2.201 637 G HA2 -0.178 3.782 3.960 0.001 0.000 0.212 637 G HA3 -0.178 3.782 3.960 0.001 0.000 0.212 637 G C -0.106 174.807 174.900 0.020 0.000 0.994 637 G CA -0.549 44.545 45.100 -0.010 0.000 0.644 637 G HN -0.001 nan 8.290 nan 0.000 0.508 638 L N 0.996 122.252 121.223 0.056 0.000 2.417 638 L HA 0.527 4.867 4.340 0.001 0.000 0.268 638 L C 0.726 177.718 176.870 0.204 0.000 1.158 638 L CA 0.015 54.950 54.840 0.158 0.000 0.819 638 L CB 1.171 43.371 42.059 0.235 0.000 1.112 638 L HN 0.329 nan 8.230 nan 0.000 0.458 639 K N 1.865 122.326 120.400 0.102 0.000 2.206 639 K HA 0.219 4.539 4.320 0.001 0.000 0.264 639 K C -0.694 175.685 176.600 -0.369 0.000 0.967 639 K CA -0.584 55.672 56.287 -0.052 0.000 0.844 639 K CB 0.690 33.162 32.500 -0.047 0.000 1.099 639 K HN 0.656 nan 8.250 nan 0.000 0.441 640 H N 2.360 121.060 119.070 -0.617 0.000 2.846 640 H HA 0.391 4.947 4.556 0.001 0.000 0.278 640 H C -0.281 174.675 175.328 -0.620 0.000 1.117 640 H CA 0.092 55.515 56.048 -1.042 0.000 1.406 640 H CB 0.650 29.983 29.762 -0.716 0.000 1.445 640 H HN 0.899 nan 8.280 nan 0.000 0.469 641 G N 3.239 111.824 108.800 -0.358 0.000 2.350 641 G HA2 -0.139 3.821 3.960 0.001 0.000 0.305 641 G HA3 -0.139 3.821 3.960 0.001 0.000 0.305 641 G C -0.410 174.348 174.900 -0.238 0.000 1.479 641 G CA -0.844 44.044 45.100 -0.353 0.000 0.949 641 G HN 0.684 nan 8.290 nan 0.000 0.651 642 W N 0.001 121.225 121.300 -0.127 0.000 2.525 642 W HA 0.099 4.760 4.660 0.001 0.000 0.259 642 W C 1.912 178.478 176.519 0.079 0.000 1.253 642 W CA 0.857 58.062 57.345 -0.234 0.000 1.262 642 W CB 0.362 29.582 29.460 -0.400 0.000 1.122 642 W HN 0.628 nan 8.180 nan 0.000 0.607 643 D N -1.290 119.254 120.400 0.240 0.000 2.358 643 D HA 0.174 4.814 4.640 0.001 0.000 0.224 643 D C 1.081 177.480 176.300 0.165 0.000 1.123 643 D CA 0.340 54.459 54.000 0.199 0.000 0.833 643 D CB -0.411 40.456 40.800 0.112 0.000 0.946 643 D HN 0.121 nan 8.370 nan 0.000 0.505 644 G N 0.007 108.928 108.800 0.203 0.000 3.359 644 G HA2 0.166 4.127 3.960 0.001 0.000 0.187 644 G HA3 0.166 4.127 3.960 0.001 0.000 0.187 644 G C 0.176 175.162 174.900 0.144 0.000 1.294 644 G CA -0.184 44.982 45.100 0.111 0.000 0.769 644 G HN 0.013 nan 8.290 nan 0.000 0.733 645 D N -0.882 119.546 120.400 0.047 0.000 2.482 645 D HA 0.210 4.850 4.640 0.001 0.000 0.251 645 D C 0.000 176.307 176.300 0.012 0.000 1.073 645 D CA 0.556 54.555 54.000 -0.003 0.000 0.892 645 D CB 1.232 42.084 40.800 0.085 0.000 1.202 645 D HN 0.284 nan 8.370 nan 0.000 0.496 646 F N 0.038 119.991 119.950 0.005 0.000 2.662 646 F HA 0.755 5.282 4.527 0.001 0.000 0.312 646 F C -1.886 173.891 175.800 -0.038 0.000 1.113 646 F CA -1.692 56.312 58.000 0.007 0.000 0.951 646 F CB 1.602 40.511 39.000 -0.152 0.000 1.344 646 F HN -0.164 nan 8.300 nan 0.000 0.462 647 A N 1.586 124.354 122.820 -0.086 0.000 2.429 647 A HA 0.624 4.945 4.320 0.001 0.000 0.289 647 A C -2.159 175.348 177.584 -0.128 0.000 1.043 647 A CA -0.609 51.199 52.037 -0.381 0.000 0.722 647 A CB 0.381 18.570 19.000 -1.351 0.000 1.243 647 A HN 0.696 nan 8.150 nan 0.000 0.415 648 Y N 2.204 122.446 120.300 -0.097 0.000 2.620 648 Y HA 0.195 4.745 4.550 0.001 0.000 0.330 648 Y C 1.500 177.264 175.900 -0.227 0.000 1.186 648 Y CA 0.425 58.451 58.100 -0.124 0.000 1.467 648 Y CB 0.714 39.172 38.460 -0.005 0.000 1.262 648 Y HN 0.724 nan 8.280 nan 0.000 0.550 649 M N 1.862 121.294 119.600 -0.281 0.000 2.470 649 M HA 0.427 4.907 4.480 0.001 0.000 0.262 649 M C 0.150 176.213 176.300 -0.396 0.000 1.211 649 M CA 0.356 55.354 55.300 -0.503 0.000 1.125 649 M CB 0.771 32.659 32.600 -1.187 0.000 1.480 649 M HN 0.552 nan 8.290 nan 0.000 0.541 650 A N -0.097 122.542 122.820 -0.302 0.000 2.594 650 A HA 0.540 4.861 4.320 0.001 0.000 0.296 650 A C -2.658 174.979 177.584 0.089 0.000 1.056 650 A CA -0.435 51.574 52.037 -0.047 0.000 0.693 650 A CB 0.859 19.827 19.000 -0.053 0.000 1.278 650 A HN 0.366 nan 8.150 nan 0.000 0.408 651 W N 2.516 123.830 121.300 0.023 0.000 2.499 651 W HA 0.606 5.267 4.660 0.001 0.000 0.320 651 W C -1.828 174.734 176.519 0.071 0.000 1.010 651 W CA -0.933 56.445 57.345 0.055 0.000 1.267 651 W CB 1.625 31.153 29.460 0.114 0.000 1.316 651 W HN 0.495 nan 8.180 nan 0.000 0.431 652 V N 9.511 129.340 119.914 -0.142 0.000 2.225 652 V HA 0.231 4.351 4.120 0.001 0.000 0.264 652 V C 0.703 176.532 176.094 -0.441 0.000 1.067 652 V CA -0.103 61.916 62.300 -0.467 0.000 0.903 652 V CB -0.102 31.636 31.823 -0.142 0.000 1.136 652 V HN 0.824 nan 8.190 nan 0.000 0.456 653 H N 2.506 121.258 119.070 -0.531 0.000 4.080 653 H HA -0.215 4.341 4.556 0.001 0.000 0.083 653 H C 1.132 176.564 175.328 0.172 0.000 0.599 653 H CA 2.207 58.097 56.048 -0.265 0.000 1.322 653 H CB -0.870 28.826 29.762 -0.111 0.000 1.340 653 H HN 0.841 nan 8.280 nan 0.000 0.865 654 D N 1.994 122.622 120.400 0.380 0.000 2.720 654 D HA 0.229 4.869 4.640 0.001 0.000 0.285 654 D C 0.175 176.789 176.300 0.524 0.000 1.359 654 D CA 0.365 54.644 54.000 0.465 0.000 0.818 654 D CB 0.320 41.279 40.800 0.265 0.000 1.108 654 D HN 0.734 nan 8.370 nan 0.000 0.474 655 E N 0.518 121.062 120.200 0.574 0.000 2.343 655 E HA 0.515 4.865 4.350 0.001 0.000 0.278 655 E C -1.010 175.848 176.600 0.429 0.000 0.910 655 E CA -1.104 55.602 56.400 0.511 0.000 0.757 655 E CB 2.123 32.025 29.700 0.337 0.000 1.218 655 E HN 0.191 nan 8.360 nan 0.000 0.435 656 I N -0.436 120.279 120.570 0.241 0.000 2.608 656 I HA 0.519 4.689 4.170 0.001 0.000 0.295 656 I C -0.905 175.112 176.117 -0.167 0.000 1.049 656 I CA -1.100 60.168 61.300 -0.054 0.000 1.063 656 I CB 2.137 39.881 38.000 -0.428 0.000 1.248 656 I HN 0.349 nan 8.210 nan 0.000 0.424 657 Q N 4.537 124.147 119.800 -0.317 0.000 2.331 657 Q HA 0.632 4.972 4.340 0.001 0.000 0.267 657 Q C -1.130 174.598 176.000 -0.453 0.000 1.006 657 Q CA -0.716 54.850 55.803 -0.395 0.000 0.818 657 Q CB 3.094 31.445 28.738 -0.646 0.000 1.276 657 Q HN 0.653 nan 8.270 nan 0.000 0.450 658 V N 1.085 120.797 119.914 -0.337 0.000 2.577 658 V HA 0.589 4.709 4.120 0.001 0.000 0.303 658 V C 0.354 176.399 176.094 -0.083 0.000 1.042 658 V CA -1.003 61.129 62.300 -0.280 0.000 0.872 658 V CB 1.998 33.620 31.823 -0.335 0.000 0.998 658 V HN 0.827 nan 8.190 nan 0.000 0.423 659 G N 2.518 111.331 108.800 0.022 0.000 2.432 659 G HA2 0.451 4.412 3.960 0.001 0.000 0.257 659 G HA3 0.451 4.412 3.960 0.001 0.000 0.257 659 G C -0.419 174.748 174.900 0.445 0.000 1.238 659 G CA -0.084 45.218 45.100 0.337 0.000 0.838 659 G HN 0.803 nan 8.290 nan 0.000 0.547 660 C N 2.022 121.523 119.300 0.335 0.000 2.547 660 C HA 0.446 4.906 4.460 0.001 0.000 0.313 660 C C 1.622 176.202 174.990 -0.684 0.000 1.191 660 C CA -0.785 58.168 59.018 -0.108 0.000 1.474 660 C CB 1.763 29.450 27.740 -0.088 0.000 2.081 660 C HN 1.067 nan 8.230 nan 0.000 0.476 661 R N 1.206 120.848 120.500 -1.430 0.000 2.127 661 R HA -0.071 4.269 4.340 0.001 0.000 0.238 661 R C 0.855 176.736 176.300 -0.697 0.000 1.134 661 R CA 1.963 57.062 56.100 -1.669 0.000 0.975 661 R CB 0.128 29.784 30.300 -1.073 0.000 0.865 661 R HN 0.934 nan 8.270 nan 0.000 0.447 662 T N -4.435 109.874 114.554 -0.409 0.000 2.864 662 T HA 0.220 4.570 4.350 0.001 0.000 0.299 662 T C 0.427 175.043 174.700 -0.140 0.000 1.166 662 T CA -0.987 60.984 62.100 -0.214 0.000 1.007 662 T CB 1.808 70.581 68.868 -0.159 0.000 1.219 662 T HN 0.073 nan 8.240 nan 0.000 0.506 663 E N 0.472 120.620 120.200 -0.086 0.000 2.077 663 E HA -0.200 4.150 4.350 0.001 0.000 0.193 663 E C 1.802 178.366 176.600 -0.061 0.000 0.989 663 E CA 1.626 57.992 56.400 -0.056 0.000 0.800 663 E CB -0.053 29.627 29.700 -0.034 0.000 0.746 663 E HN 0.911 nan 8.360 nan 0.000 0.452 664 E N 1.332 121.493 120.200 -0.065 0.000 2.085 664 E HA -0.212 4.139 4.350 0.001 0.000 0.194 664 E C 2.067 178.621 176.600 -0.076 0.000 0.994 664 E CA 1.191 57.554 56.400 -0.062 0.000 0.801 664 E CB -0.182 29.484 29.700 -0.057 0.000 0.743 664 E HN 0.238 nan 8.360 nan 0.000 0.453 665 I N 0.823 121.334 120.570 -0.098 0.000 2.315 665 I HA -0.216 3.955 4.170 0.001 0.000 0.248 665 I C 2.565 178.614 176.117 -0.114 0.000 1.117 665 I CA 0.842 62.076 61.300 -0.111 0.000 1.404 665 I CB -0.354 37.566 38.000 -0.133 0.000 1.071 665 I HN 0.265 nan 8.210 nan 0.000 0.419 666 A N 0.108 122.870 122.820 -0.097 0.000 1.902 666 A HA -0.282 4.038 4.320 0.001 0.000 0.217 666 A C 2.326 179.867 177.584 -0.072 0.000 1.181 666 A CA 1.719 53.708 52.037 -0.079 0.000 0.623 666 A CB -0.699 18.273 19.000 -0.047 0.000 0.818 666 A HN 0.479 nan 8.150 nan 0.000 0.443 667 Q N -0.280 119.484 119.800 -0.059 0.000 2.096 667 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 667 Q C 1.963 177.926 176.000 -0.062 0.000 0.982 667 Q CA 1.979 57.754 55.803 -0.047 0.000 0.850 667 Q CB -0.184 28.531 28.738 -0.038 0.000 0.901 667 Q HN 0.429 nan 8.270 nan 0.000 0.422 668 V N -0.074 119.790 119.914 -0.084 0.000 2.427 668 V HA -0.206 3.914 4.120 0.001 0.000 0.248 668 V C 2.271 178.281 176.094 -0.140 0.000 1.051 668 V CA 1.214 63.452 62.300 -0.102 0.000 1.048 668 V CB -0.175 31.582 31.823 -0.110 0.000 0.666 668 V HN 0.234 nan 8.190 nan 0.000 0.456 669 V N -0.157 119.653 119.914 -0.174 0.000 2.307 669 V HA -0.246 3.874 4.120 0.001 0.000 0.245 669 V C 2.180 178.183 176.094 -0.151 0.000 1.045 669 V CA 2.119 64.278 62.300 -0.235 0.000 1.024 669 V CB -0.418 31.242 31.823 -0.273 0.000 0.651 669 V HN 0.431 nan 8.190 nan 0.000 0.449 670 I N -0.023 120.493 120.570 -0.090 0.000 2.163 670 I HA -0.270 3.901 4.170 0.001 0.000 0.243 670 I C 2.555 178.669 176.117 -0.006 0.000 1.085 670 I CA 1.808 63.092 61.300 -0.027 0.000 1.347 670 I CB -0.375 37.620 38.000 -0.008 0.000 1.044 670 I HN 0.414 nan 8.210 nan 0.000 0.408 671 E N 0.039 120.223 120.200 -0.026 0.000 2.106 671 E HA -0.160 4.190 4.350 0.001 0.000 0.192 671 E C 2.084 178.675 176.600 -0.015 0.000 0.984 671 E CA 1.720 58.112 56.400 -0.014 0.000 0.806 671 E CB -0.179 29.506 29.700 -0.026 0.000 0.750 671 E HN 0.469 nan 8.360 nan 0.000 0.458 672 T N 1.026 115.546 114.554 -0.057 0.000 2.821 672 T HA -0.094 4.257 4.350 0.001 0.000 0.267 672 T C 2.041 176.727 174.700 -0.023 0.000 1.046 672 T CA 1.036 63.091 62.100 -0.075 0.000 1.139 672 T CB -0.155 68.616 68.868 -0.161 0.000 0.871 672 T HN 0.239 nan 8.240 nan 0.000 0.454 673 A N 1.388 124.213 122.820 0.009 0.000 1.933 673 A HA -0.160 4.161 4.320 0.001 0.000 0.218 673 A C 2.293 180.092 177.584 0.358 0.000 1.175 673 A CA 1.876 54.025 52.037 0.187 0.000 0.628 673 A CB -0.663 18.462 19.000 0.208 0.000 0.814 673 A HN 0.429 nan 8.150 nan 0.000 0.444 674 Q N 0.225 120.133 119.800 0.181 0.000 2.046 674 Q HA -0.161 4.179 4.340 0.001 0.000 0.200 674 Q C 1.808 177.876 176.000 0.113 0.000 0.975 674 Q CA 2.262 58.139 55.803 0.123 0.000 0.836 674 Q CB -0.419 28.359 28.738 0.068 0.000 0.896 674 Q HN 0.736 nan 8.270 nan 0.000 0.428 675 E N -0.207 120.047 120.200 0.089 0.000 2.058 675 E HA -0.222 4.128 4.350 0.001 0.000 0.194 675 E C 1.909 178.594 176.600 0.142 0.000 0.997 675 E CA 1.140 57.592 56.400 0.085 0.000 0.801 675 E CB -0.309 29.413 29.700 0.037 0.000 0.746 675 E HN 0.510 nan 8.360 nan 0.000 0.450 676 A N 0.964 123.872 122.820 0.147 0.000 1.933 676 A HA -0.225 4.095 4.320 0.001 0.000 0.218 676 A C 2.111 179.905 177.584 0.351 0.000 1.175 676 A CA 1.682 53.838 52.037 0.198 0.000 0.628 676 A CB -0.429 18.645 19.000 0.123 0.000 0.814 676 A HN 0.211 nan 8.150 nan 0.000 0.444 677 M N -0.420 119.363 119.600 0.305 0.000 2.086 677 M HA -0.083 4.397 4.480 0.001 0.000 0.261 677 M C 1.973 178.311 176.300 0.063 0.000 1.067 677 M CA 1.514 56.846 55.300 0.054 0.000 1.116 677 M CB -0.468 31.995 32.600 -0.229 0.000 1.348 677 M HN 0.263 nan 8.290 nan 0.000 0.407 678 R N -1.366 119.189 120.500 0.092 0.000 2.096 678 R HA -0.197 4.143 4.340 0.001 0.000 0.235 678 R C 2.126 178.489 176.300 0.106 0.000 1.127 678 R CA 1.775 57.920 56.100 0.075 0.000 0.968 678 R CB -1.334 29.012 30.300 0.077 0.000 0.861 678 R HN 0.689 nan 8.270 nan 0.000 0.440 679 W N 0.929 122.221 121.300 -0.013 0.000 2.358 679 W HA -0.179 4.482 4.660 0.001 0.000 0.303 679 W C 1.901 178.388 176.519 -0.054 0.000 1.208 679 W CA 1.075 58.404 57.345 -0.028 0.000 1.274 679 W CB -0.139 29.294 29.460 -0.043 0.000 1.138 679 W HN -0.229 nan 8.180 nan 0.000 0.515 680 V N 1.095 121.140 119.914 0.219 0.000 2.343 680 V HA -0.234 3.887 4.120 0.001 0.000 0.247 680 V C 2.484 178.486 176.094 -0.153 0.000 1.051 680 V CA 2.111 64.392 62.300 -0.031 0.000 1.036 680 V CB -1.662 30.197 31.823 0.060 0.000 0.654 680 V HN 0.419 nan 8.190 nan 0.000 0.451 681 G N -0.243 108.507 108.800 -0.083 0.000 2.446 681 G HA2 -0.377 3.583 3.960 0.001 0.000 0.217 681 G HA3 -0.377 3.583 3.960 0.001 0.000 0.217 681 G C 1.314 176.202 174.900 -0.020 0.000 1.168 681 G CA 1.313 46.383 45.100 -0.050 0.000 0.771 681 G HN 0.617 nan 8.290 nan 0.000 0.551 682 D N -0.710 119.624 120.400 -0.110 0.000 2.144 682 D HA -0.171 4.470 4.640 0.001 0.000 0.200 682 D C 2.084 178.232 176.300 -0.253 0.000 0.978 682 D CA 1.181 55.091 54.000 -0.151 0.000 0.833 682 D CB -0.247 40.436 40.800 -0.195 0.000 0.961 682 D HN 0.448 nan 8.370 nan 0.000 0.470 683 H N -1.187 117.518 119.070 -0.609 0.000 2.390 683 H HA -0.135 4.421 4.556 0.001 0.000 0.298 683 H C 0.580 175.696 175.328 -0.352 0.000 1.106 683 H CA 1.715 57.301 56.048 -0.770 0.000 1.297 683 H CB -0.047 28.910 29.762 -1.341 0.000 1.375 683 H HN 0.292 nan 8.280 nan 0.000 0.509 684 W N 1.081 122.260 121.300 -0.202 0.000 2.926 684 W HA 0.314 4.975 4.660 0.001 0.000 0.419 684 W C -0.061 176.453 176.519 -0.008 0.000 0.993 684 W CA -0.444 56.825 57.345 -0.128 0.000 2.025 684 W CB -0.525 28.933 29.460 -0.003 0.000 1.152 684 W HN 0.221 nan 8.180 nan 0.000 0.659 685 N N 0.599 119.386 118.700 0.144 0.000 2.714 685 N HA -0.269 4.472 4.740 0.001 0.000 0.252 685 N C -0.328 175.317 175.510 0.224 0.000 1.014 685 N CA 0.987 54.115 53.050 0.130 0.000 0.735 685 N CB -1.854 36.684 38.487 0.086 0.000 0.924 685 N HN 0.002 nan 8.380 nan 0.000 0.540 686 F N 1.022 120.985 119.950 0.021 0.000 2.518 686 F HA 0.041 4.569 4.527 0.001 0.000 0.359 686 F C 2.077 177.957 175.800 0.132 0.000 1.118 686 F CA -0.112 57.873 58.000 -0.025 0.000 1.287 686 F CB 0.636 39.560 39.000 -0.127 0.000 1.132 686 F HN -0.035 nan 8.300 nan 0.000 0.587 687 R N 2.222 122.801 120.500 0.132 0.000 2.317 687 R HA 0.101 4.442 4.340 0.001 0.000 0.208 687 R C -0.462 175.859 176.300 0.035 0.000 0.914 687 R CA 0.198 56.314 56.100 0.026 0.000 1.060 687 R CB -0.432 29.784 30.300 -0.138 0.000 1.015 687 R HN 0.413 nan 8.270 nan 0.000 0.498 688 C N 1.089 120.453 119.300 0.107 0.000 2.547 688 C HA 0.433 4.893 4.460 0.001 0.000 0.313 688 C C -0.278 174.837 174.990 0.208 0.000 1.191 688 C CA -1.331 57.772 59.018 0.142 0.000 1.474 688 C CB 0.590 28.424 27.740 0.156 0.000 2.081 688 C HN 0.337 nan 8.230 nan 0.000 0.476 689 L N 5.911 127.201 121.223 0.111 0.000 2.453 689 L HA 0.436 4.777 4.340 0.001 0.000 0.272 689 L C -0.472 176.442 176.870 0.072 0.000 1.182 689 L CA 0.670 55.560 54.840 0.083 0.000 0.858 689 L CB 0.392 42.474 42.059 0.038 0.000 1.120 689 L HN 0.602 nan 8.230 nan 0.000 0.474 690 L N 4.899 126.149 121.223 0.044 0.000 2.309 690 L HA 0.527 4.867 4.340 0.001 0.000 0.282 690 L C -0.457 176.388 176.870 -0.042 0.000 1.036 690 L CA -0.604 54.228 54.840 -0.013 0.000 0.806 690 L CB 1.411 43.423 42.059 -0.079 0.000 1.220 690 L HN 0.630 nan 8.230 nan 0.000 0.429 691 D N 0.289 120.652 120.400 -0.062 0.000 2.531 691 D HA 0.603 5.243 4.640 0.001 0.000 0.244 691 D C -0.689 175.548 176.300 -0.105 0.000 1.090 691 D CA -0.141 53.823 54.000 -0.060 0.000 0.989 691 D CB 2.765 43.550 40.800 -0.025 0.000 1.433 691 D HN 0.564 nan 8.370 nan 0.000 0.492 692 T N -2.896 111.620 114.554 -0.064 0.000 2.883 692 T HA 0.619 4.970 4.350 0.001 0.000 0.296 692 T C -0.915 173.801 174.700 0.025 0.000 1.117 692 T CA -0.857 61.213 62.100 -0.050 0.000 1.006 692 T CB 2.660 71.513 68.868 -0.026 0.000 1.191 692 T HN 0.327 nan 8.240 nan 0.000 0.508 693 E N -0.029 120.209 120.200 0.062 0.000 2.246 693 E HA 0.579 4.930 4.350 0.001 0.000 0.266 693 E C -0.611 176.052 176.600 0.106 0.000 0.880 693 E CA -0.930 55.514 56.400 0.074 0.000 0.762 693 E CB 1.411 31.152 29.700 0.069 0.000 1.180 693 E HN 1.025 nan 8.360 nan 0.000 0.416 694 G N 3.232 112.085 108.800 0.089 0.000 2.448 694 G HA2 0.562 4.522 3.960 0.001 0.000 0.324 694 G HA3 0.562 4.522 3.960 0.001 0.000 0.324 694 G C -1.122 173.826 174.900 0.080 0.000 1.203 694 G CA -0.584 44.573 45.100 0.094 0.000 0.954 694 G HN 0.394 nan 8.290 nan 0.000 0.480 695 K N 1.257 121.711 120.400 0.090 0.000 2.482 695 K HA 0.404 4.725 4.320 0.001 0.000 0.251 695 K C -0.755 175.889 176.600 0.075 0.000 0.936 695 K CA -0.616 55.722 56.287 0.085 0.000 0.791 695 K CB 2.900 35.468 32.500 0.113 0.000 1.213 695 K HN 0.522 nan 8.250 nan 0.000 0.428 696 M N 1.794 121.429 119.600 0.058 0.000 2.363 696 M HA 0.628 5.108 4.480 0.001 0.000 0.343 696 M C -0.481 175.856 176.300 0.062 0.000 1.165 696 M CA 0.116 55.445 55.300 0.048 0.000 1.046 696 M CB 1.473 34.089 32.600 0.026 0.000 1.648 696 M HN 0.851 nan 8.290 nan 0.000 0.452 697 G N 3.299 112.141 108.800 0.069 0.000 2.441 697 G HA2 0.365 4.325 3.960 0.001 0.000 0.294 697 G HA3 0.365 4.325 3.960 0.001 0.000 0.294 697 G C -3.173 171.777 174.900 0.082 0.000 1.393 697 G CA -0.669 44.478 45.100 0.078 0.000 0.796 697 G HN 0.419 nan 8.290 nan 0.000 0.494 698 P HA 0.074 nan 4.420 nan 0.000 0.226 698 P C 0.218 177.561 177.300 0.071 0.000 1.161 698 P CA 1.018 64.150 63.100 0.053 0.000 0.804 698 P CB 0.244 31.953 31.700 0.016 0.000 0.829 699 N N -3.445 115.337 118.700 0.137 0.000 3.204 699 N HA 0.053 4.793 4.740 0.001 0.000 0.285 699 N C -0.017 175.700 175.510 0.345 0.000 1.536 699 N CA -0.861 52.330 53.050 0.234 0.000 0.832 699 N CB -0.503 38.118 38.487 0.223 0.000 1.645 699 N HN -0.306 nan 8.380 nan 0.000 0.586 700 W N 0.200 121.639 121.300 0.231 0.000 2.465 700 W HA 0.286 4.946 4.660 0.001 0.000 0.268 700 W C 1.747 178.364 176.519 0.163 0.000 1.242 700 W CA 1.326 58.794 57.345 0.205 0.000 1.248 700 W CB -1.090 28.462 29.460 0.152 0.000 1.118 700 W HN 0.776 nan 8.180 nan 0.000 0.587 701 A N -0.354 122.677 122.820 0.352 0.000 2.014 701 A HA -0.094 4.226 4.320 0.001 0.000 0.218 701 A C 1.997 179.700 177.584 0.198 0.000 1.163 701 A CA 1.543 53.707 52.037 0.211 0.000 0.652 701 A CB -0.546 18.550 19.000 0.161 0.000 0.808 701 A HN 0.250 nan 8.150 nan 0.000 0.449 702 I N -1.607 119.092 120.570 0.216 0.000 3.265 702 I HA -0.062 4.109 4.170 0.001 0.000 0.282 702 I C 0.791 177.027 176.117 0.198 0.000 1.207 702 I CA 0.254 61.656 61.300 0.170 0.000 1.449 702 I CB 0.204 38.284 38.000 0.134 0.000 1.121 702 I HN 0.196 nan 8.210 nan 0.000 0.442 703 C N 0.880 120.346 119.300 0.278 0.000 2.396 703 C HA 0.293 4.753 4.460 0.001 0.000 0.334 703 C C 0.548 175.792 174.990 0.424 0.000 1.313 703 C CA -0.051 59.140 59.018 0.288 0.000 1.719 703 C CB -2.298 25.582 27.740 0.233 0.000 1.893 703 C HN 0.458 nan 8.230 nan 0.000 0.589 704 H N 0.000 119.228 119.070 0.264 0.000 2.539 704 H HA 0.000 4.556 4.556 0.001 0.000 0.296 704 H CA 0.000 56.194 56.048 0.244 0.000 1.023 704 H CB 0.000 29.982 29.762 0.367 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496