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 2r5h_1_I DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.654 177.584 0.117 0.000 1.274 20 A CA 0.000 52.065 52.037 0.046 0.000 0.836 20 A CB 0.000 19.020 19.000 0.033 0.000 0.831 21 V N 1.864 121.775 119.914 -0.006 0.000 2.617 21 V HA 0.826 4.946 4.120 -0.000 0.000 0.298 21 V C 0.397 176.499 176.094 0.013 0.000 1.048 21 V CA -0.257 62.049 62.300 0.010 0.000 0.964 21 V CB 1.398 32.966 31.823 -0.424 0.000 1.004 21 V HN 1.714 nan 8.190 nan 0.000 0.466 22 V N 0.112 120.179 119.914 0.256 0.000 2.969 22 V HA 0.627 4.747 4.120 -0.000 0.000 0.304 22 V C -0.043 176.431 176.094 0.633 0.000 1.192 22 V CA -0.692 61.830 62.300 0.370 0.000 0.962 22 V CB 1.593 33.526 31.823 0.184 0.000 1.045 22 V HN 0.946 nan 8.190 nan 0.000 0.428 23 S N 2.721 118.773 115.700 0.587 0.000 2.998 23 S HA -0.024 4.446 4.470 -0.000 0.000 0.348 23 S C 1.753 176.504 174.600 0.252 0.000 1.210 23 S CA 0.674 59.086 58.200 0.352 0.000 1.118 23 S CB -0.028 63.267 63.200 0.158 0.000 0.832 23 S HN 2.069 nan 8.310 nan 0.000 0.516 24 T N 2.259 116.909 114.554 0.160 0.000 2.751 24 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 24 T C 1.190 175.680 174.700 -0.349 0.000 1.045 24 T CA 1.786 63.630 62.100 -0.426 0.000 1.142 24 T CB -0.644 68.043 68.868 -0.302 0.000 0.851 24 T HN 0.673 nan 8.240 nan 0.000 0.474 25 D N 1.494 121.827 120.400 -0.111 0.000 2.239 25 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 25 D C 2.143 178.428 176.300 -0.025 0.000 0.993 25 D CA 1.140 55.100 54.000 -0.066 0.000 0.874 25 D CB -0.219 40.573 40.800 -0.013 0.000 0.922 25 D HN 0.699 nan 8.370 nan 0.000 0.464 26 E N -0.352 119.870 120.200 0.037 0.000 2.001 26 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 26 E C 1.941 178.628 176.600 0.146 0.000 1.002 26 E CA 1.114 57.581 56.400 0.111 0.000 0.819 26 E CB -0.446 29.367 29.700 0.189 0.000 0.769 26 E HN 0.565 nan 8.360 nan 0.000 0.454 27 Y N -0.396 119.972 120.300 0.112 0.000 2.471 27 Y HA 0.358 4.908 4.550 -0.000 0.000 0.286 27 Y C 0.236 176.234 175.900 0.164 0.000 1.188 27 Y CA -0.505 57.674 58.100 0.132 0.000 1.286 27 Y CB 0.133 38.696 38.460 0.172 0.000 1.072 27 Y HN -0.266 nan 8.280 nan 0.000 0.517 28 V N 1.537 121.395 119.914 -0.093 0.000 2.628 28 V HA 0.800 4.920 4.120 -0.000 0.000 0.306 28 V C -0.177 175.892 176.094 -0.042 0.000 1.045 28 V CA -1.071 61.190 62.300 -0.067 0.000 0.905 28 V CB 1.398 33.088 31.823 -0.221 0.000 0.997 28 V HN 0.347 nan 8.190 nan 0.000 0.436 29 A N 4.735 127.545 122.820 -0.016 0.000 2.331 29 A HA 0.790 5.110 4.320 -0.000 0.000 0.320 29 A C -0.228 177.321 177.584 -0.060 0.000 1.138 29 A CA -0.754 51.269 52.037 -0.023 0.000 0.790 29 A CB 0.879 19.881 19.000 0.004 0.000 1.206 29 A HN 0.822 nan 8.150 nan 0.000 0.470 30 R N 2.004 122.468 120.500 -0.061 0.000 2.247 30 R HA 0.349 4.689 4.340 -0.000 0.000 0.329 30 R C 0.428 176.664 176.300 -0.107 0.000 1.014 30 R CA -0.175 55.872 56.100 -0.088 0.000 0.907 30 R CB 1.178 31.446 30.300 -0.054 0.000 1.146 30 R HN 0.895 nan 8.270 nan 0.000 0.499 31 T N -0.955 113.494 114.554 -0.176 0.000 2.748 31 T HA 0.007 4.357 4.350 -0.000 0.000 0.304 31 T C 0.627 175.160 174.700 -0.278 0.000 1.041 31 T CA -0.369 61.597 62.100 -0.224 0.000 1.033 31 T CB 0.713 69.374 68.868 -0.345 0.000 0.995 31 T HN 0.514 nan 8.240 nan 0.000 0.536 32 N N 1.089 119.644 118.700 -0.240 0.000 2.920 32 N HA 0.231 4.971 4.740 -0.000 0.000 0.310 32 N C -1.090 174.247 175.510 -0.287 0.000 1.384 32 N CA -0.381 52.534 53.050 -0.226 0.000 1.083 32 N CB -0.034 38.423 38.487 -0.050 0.000 1.389 32 N HN 0.414 nan 8.380 nan 0.000 0.521 33 I N 1.835 122.103 120.570 -0.503 0.000 2.418 33 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 33 I C -0.670 175.262 176.117 -0.307 0.000 1.008 33 I CA -0.872 60.258 61.300 -0.284 0.000 1.104 33 I CB 0.617 38.466 38.000 -0.251 0.000 1.264 33 I HN 0.070 nan 8.210 nan 0.000 0.438 34 Y N 5.659 126.115 120.300 0.260 0.000 2.462 34 Y HA 0.621 5.171 4.550 -0.000 0.000 0.346 34 Y C -0.910 175.156 175.900 0.275 0.000 0.976 34 Y CA -0.754 57.553 58.100 0.346 0.000 1.044 34 Y CB 2.408 41.090 38.460 0.370 0.000 1.230 34 Y HN 0.351 nan 8.280 nan 0.000 0.455 35 Y N 1.395 122.049 120.300 0.589 0.000 2.479 35 Y HA 0.268 4.818 4.550 -0.000 0.000 0.338 35 Y C -0.562 175.477 175.900 0.232 0.000 1.055 35 Y CA -1.094 57.281 58.100 0.459 0.000 1.023 35 Y CB 1.570 40.384 38.460 0.590 0.000 1.287 35 Y HN 0.593 nan 8.280 nan 0.000 0.447 36 H N 2.389 121.542 119.070 0.139 0.000 2.533 36 H HA 0.913 5.469 4.556 -0.000 0.000 0.343 36 H C -1.520 173.615 175.328 -0.323 0.000 1.160 36 H CA -0.425 55.557 56.048 -0.109 0.000 1.218 36 H CB 1.782 31.473 29.762 -0.118 0.000 1.566 36 H HN 0.852 nan 8.280 nan 0.000 0.522 37 A N 2.170 124.393 122.820 -0.995 0.000 2.573 37 A HA 0.574 4.894 4.320 -0.000 0.000 0.299 37 A C -1.108 176.210 177.584 -0.444 0.000 1.060 37 A CA 0.026 51.744 52.037 -0.531 0.000 0.736 37 A CB 1.168 19.692 19.000 -0.794 0.000 1.280 37 A HN 1.035 nan 8.150 nan 0.000 0.401 38 G N 0.614 109.307 108.800 -0.178 0.000 2.503 38 G HA2 0.636 4.596 3.960 -0.000 0.000 0.305 38 G HA3 0.636 4.596 3.960 -0.000 0.000 0.305 38 G C -0.320 174.571 174.900 -0.015 0.000 1.575 38 G CA 0.350 45.413 45.100 -0.061 0.000 0.890 38 G HN 1.990 nan 8.290 nan 0.000 0.612 39 T N -0.340 114.211 114.554 -0.004 0.000 2.905 39 T HA 0.276 4.626 4.350 -0.000 0.000 0.299 39 T C 1.859 176.563 174.700 0.006 0.000 1.024 39 T CA 0.892 62.995 62.100 0.006 0.000 1.151 39 T CB 0.985 69.831 68.868 -0.037 0.000 0.987 39 T HN 1.515 nan 8.240 nan 0.000 0.535 40 S N 2.935 118.661 115.700 0.043 0.000 2.423 40 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 40 S C 0.968 175.592 174.600 0.039 0.000 1.014 40 S CA 0.316 58.547 58.200 0.051 0.000 0.965 40 S CB -0.353 62.891 63.200 0.073 0.000 0.785 40 S HN 0.980 nan 8.310 nan 0.000 0.495 41 R N -0.165 120.362 120.500 0.046 0.000 4.298 41 R HA 0.203 4.543 4.340 -0.000 0.000 0.306 41 R C -1.793 174.565 176.300 0.098 0.000 0.944 41 R CA -0.215 55.916 56.100 0.053 0.000 1.258 41 R CB -0.007 30.327 30.300 0.057 0.000 1.313 41 R HN 0.290 nan 8.270 nan 0.000 0.502 42 L N 3.418 124.702 121.223 0.101 0.000 2.454 42 L HA 0.589 4.929 4.340 -0.000 0.000 0.256 42 L C -0.468 176.581 176.870 0.299 0.000 1.136 42 L CA -0.865 54.107 54.840 0.220 0.000 0.804 42 L CB 0.965 43.040 42.059 0.026 0.000 1.181 42 L HN 0.479 nan 8.230 nan 0.000 0.469 43 L N 0.986 122.473 121.223 0.440 0.000 2.549 43 L HA 0.657 4.997 4.340 -0.000 0.000 0.259 43 L C -0.955 176.125 176.870 0.349 0.000 0.934 43 L CA -0.004 55.023 54.840 0.311 0.000 0.865 43 L CB 1.909 44.076 42.059 0.179 0.000 1.352 43 L HN 0.640 nan 8.230 nan 0.000 0.410 44 A N 3.241 126.220 122.820 0.265 0.000 2.386 44 A HA 0.971 5.291 4.320 -0.000 0.000 0.311 44 A C -1.628 175.982 177.584 0.043 0.000 1.068 44 A CA -0.593 51.531 52.037 0.146 0.000 0.743 44 A CB 1.984 21.095 19.000 0.184 0.000 1.258 44 A HN 0.450 nan 8.150 nan 0.000 0.429 45 V N 0.902 120.823 119.914 0.012 0.000 2.851 45 V HA 0.864 4.984 4.120 -0.000 0.000 0.307 45 V C 0.469 176.570 176.094 0.012 0.000 1.129 45 V CA 0.454 62.755 62.300 0.002 0.000 0.932 45 V CB 1.738 33.569 31.823 0.013 0.000 1.024 45 V HN 1.827 nan 8.190 nan 0.000 0.426 46 G N 2.156 110.973 108.800 0.027 0.000 2.450 46 G HA2 0.359 4.319 3.960 -0.000 0.000 0.273 46 G HA3 0.359 4.319 3.960 -0.000 0.000 0.273 46 G C -1.773 173.181 174.900 0.090 0.000 1.221 46 G CA -0.494 44.643 45.100 0.062 0.000 0.900 46 G HN 0.722 nan 8.290 nan 0.000 0.483 47 H N 1.606 120.676 119.070 0.000 0.000 2.489 47 H HA 0.441 4.997 4.556 -0.000 0.000 0.343 47 H C -1.633 173.633 175.328 -0.103 0.000 1.086 47 H CA -1.788 54.232 56.048 -0.047 0.000 1.198 47 H CB 2.973 32.665 29.762 -0.117 0.000 1.490 47 H HN 0.147 nan 8.280 nan 0.000 0.504 48 P HA -0.133 nan 4.420 nan 0.000 0.219 48 P C 0.226 177.209 177.300 -0.530 0.000 1.146 48 P CA 1.361 64.182 63.100 -0.465 0.000 0.808 48 P CB 0.246 31.484 31.700 -0.770 0.000 0.779 49 Y N -0.895 119.432 120.300 0.046 0.000 2.607 49 Y HA 0.287 4.837 4.550 0.000 0.000 0.276 49 Y C 1.199 177.131 175.900 0.054 0.000 1.117 49 Y CA -0.386 57.725 58.100 0.019 0.000 1.273 49 Y CB -0.023 38.443 38.460 0.010 0.000 1.282 49 Y HN -0.146 nan 8.280 nan 0.000 0.514 50 F N -1.826 118.331 119.950 0.345 0.000 2.693 50 F HA 0.712 5.239 4.527 -0.000 0.000 0.309 50 F C -3.509 172.306 175.800 0.024 0.000 1.129 50 F CA -3.557 54.516 58.000 0.121 0.000 0.948 50 F CB 0.668 39.698 39.000 0.050 0.000 1.315 50 F HN -0.346 nan 8.300 nan 0.000 0.447 51 P HA 0.367 nan 4.420 nan 0.000 0.275 51 P C -0.887 176.550 177.300 0.229 0.000 1.227 51 P CA 0.114 63.338 63.100 0.208 0.000 0.781 51 P CB 1.902 33.679 31.700 0.128 0.000 0.906 52 I N 3.783 124.443 120.570 0.151 0.000 2.330 52 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 52 I C 1.000 177.164 176.117 0.078 0.000 1.025 52 I CA -0.035 61.342 61.300 0.129 0.000 1.197 52 I CB 0.794 38.876 38.000 0.136 0.000 1.358 52 I HN 0.366 nan 8.210 nan 0.000 0.467 53 K N 4.254 124.686 120.400 0.054 0.000 2.246 53 K HA 0.702 5.022 4.320 -0.000 0.000 0.239 53 K C -0.535 176.077 176.600 0.019 0.000 1.089 53 K CA -1.279 55.026 56.287 0.030 0.000 0.892 53 K CB 0.900 33.411 32.500 0.018 0.000 1.334 53 K HN 0.027 nan 8.250 nan 0.000 0.507 54 K N 1.428 121.834 120.400 0.010 0.000 2.326 54 K HA 0.133 4.453 4.320 -0.000 0.000 0.275 54 K C -1.757 174.840 176.600 -0.005 0.000 1.018 54 K CA -1.719 54.571 56.287 0.005 0.000 0.962 54 K CB 0.734 33.236 32.500 0.002 0.000 0.953 54 K HN 0.341 nan 8.250 nan 0.000 0.475 55 P HA -0.249 nan 4.420 nan 0.000 0.216 55 P C -0.145 177.143 177.300 -0.019 0.000 1.157 55 P CA 2.006 65.097 63.100 -0.017 0.000 0.880 55 P CB -0.020 31.672 31.700 -0.013 0.000 0.791 56 N N -0.135 118.556 118.700 -0.014 0.000 2.322 56 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 56 N C 0.877 176.379 175.510 -0.013 0.000 1.037 56 N CA 0.070 53.111 53.050 -0.014 0.000 0.869 56 N CB -1.527 36.953 38.487 -0.011 0.000 1.036 56 N HN 0.122 nan 8.380 nan 0.000 0.439 57 N N 0.792 119.487 118.700 -0.010 0.000 2.453 57 N HA -0.022 4.718 4.740 -0.000 0.000 0.253 57 N C -0.327 175.177 175.510 -0.009 0.000 1.252 57 N CA -0.337 52.707 53.050 -0.009 0.000 0.917 57 N CB 0.321 38.804 38.487 -0.006 0.000 1.117 57 N HN 0.372 nan 8.380 nan 0.000 0.442 58 N N 1.658 120.351 118.700 -0.010 0.000 2.376 58 N HA 0.030 4.770 4.740 -0.000 0.000 0.249 58 N C -0.771 174.734 175.510 -0.008 0.000 1.140 58 N CA -0.172 52.872 53.050 -0.010 0.000 0.870 58 N CB 0.162 38.641 38.487 -0.014 0.000 1.124 58 N HN 0.491 nan 8.380 nan 0.000 0.505 59 K N 1.834 122.231 120.400 -0.005 0.000 2.227 59 K HA 0.234 4.554 4.320 -0.000 0.000 0.280 59 K C 0.214 176.816 176.600 0.004 0.000 1.041 59 K CA -0.664 55.621 56.287 -0.004 0.000 0.905 59 K CB 1.024 33.521 32.500 -0.005 0.000 1.068 59 K HN 0.285 nan 8.250 nan 0.000 0.470 60 I N 4.087 124.659 120.570 0.004 0.000 2.293 60 I HA 0.009 4.179 4.170 -0.000 0.000 0.299 60 I C 1.077 177.203 176.117 0.014 0.000 1.153 60 I CA -0.510 60.799 61.300 0.015 0.000 1.302 60 I CB 0.276 38.284 38.000 0.013 0.000 1.460 60 I HN 0.583 nan 8.210 nan 0.000 0.552 61 L N 6.791 128.027 121.223 0.022 0.000 2.081 61 L HA 0.011 4.351 4.340 -0.000 0.000 0.212 61 L C 0.549 177.435 176.870 0.027 0.000 1.080 61 L CA 1.767 56.620 54.840 0.023 0.000 0.754 61 L CB -0.010 42.069 42.059 0.032 0.000 0.893 61 L HN 0.532 nan 8.230 nan 0.000 0.433 62 V N 0.237 120.178 119.914 0.044 0.000 2.841 62 V HA 0.535 4.655 4.120 -0.000 0.000 0.310 62 V C -2.506 173.623 176.094 0.058 0.000 1.090 62 V CA -1.108 61.223 62.300 0.052 0.000 0.930 62 V CB 1.988 33.860 31.823 0.081 0.000 1.014 62 V HN 0.092 nan 8.190 nan 0.000 0.425 63 P HA 0.420 nan 4.420 nan 0.000 0.290 63 P C -1.487 175.852 177.300 0.065 0.000 1.302 63 P CA -1.095 62.029 63.100 0.040 0.000 0.893 63 P CB 1.647 33.343 31.700 -0.007 0.000 1.272 64 K N 0.509 120.946 120.400 0.063 0.000 2.339 64 K HA 0.346 4.666 4.320 -0.000 0.000 0.286 64 K C -1.098 175.535 176.600 0.055 0.000 1.050 64 K CA -0.277 56.057 56.287 0.079 0.000 0.956 64 K CB 0.077 32.629 32.500 0.086 0.000 0.990 64 K HN 0.194 nan 8.250 nan 0.000 0.475 65 V N 4.163 124.115 119.914 0.063 0.000 2.465 65 V HA 0.089 4.209 4.120 -0.000 0.000 0.263 65 V C -0.336 175.834 176.094 0.126 0.000 0.981 65 V CA -0.674 61.657 62.300 0.053 0.000 0.838 65 V CB 0.789 32.620 31.823 0.014 0.000 1.068 65 V HN 0.837 nan 8.190 nan 0.000 0.458 66 S N 2.578 118.368 115.700 0.151 0.000 2.664 66 S HA 0.676 5.146 4.470 -0.000 0.000 0.304 66 S C 1.049 175.796 174.600 0.246 0.000 1.099 66 S CA 0.159 58.508 58.200 0.248 0.000 1.003 66 S CB 2.025 65.255 63.200 0.050 0.000 1.092 66 S HN 0.767 nan 8.310 nan 0.000 0.525 67 G N 0.763 109.755 108.800 0.320 0.000 3.374 67 G HA2 0.347 4.307 3.960 -0.000 0.000 0.252 67 G HA3 0.347 4.307 3.960 -0.000 0.000 0.252 67 G C 0.171 175.144 174.900 0.122 0.000 1.326 67 G CA -0.144 45.096 45.100 0.234 0.000 1.133 67 G HN 0.652 nan 8.290 nan 0.000 0.528 68 L N -0.355 120.932 121.223 0.106 0.000 3.358 68 L HA 0.305 4.645 4.340 -0.000 0.000 0.301 68 L C 0.180 177.105 176.870 0.091 0.000 1.276 68 L CA -0.114 54.769 54.840 0.072 0.000 1.028 68 L CB 0.437 42.529 42.059 0.055 0.000 1.421 68 L HN 0.198 nan 8.230 nan 0.000 0.604 69 Q N -0.854 119.012 119.800 0.110 0.000 2.345 69 Q HA 0.457 4.797 4.340 -0.000 0.000 0.268 69 Q C -1.463 174.649 176.000 0.188 0.000 1.054 69 Q CA -0.954 54.943 55.803 0.156 0.000 0.835 69 Q CB 2.041 30.850 28.738 0.119 0.000 1.339 69 Q HN -0.054 nan 8.270 nan 0.000 0.447 70 Y N 0.850 121.164 120.300 0.024 0.000 2.316 70 Y HA 0.197 4.747 4.550 -0.000 0.000 0.331 70 Y C 0.354 176.247 175.900 -0.010 0.000 1.083 70 Y CA -0.409 57.705 58.100 0.023 0.000 1.206 70 Y CB 0.851 39.311 38.460 0.000 0.000 1.195 70 Y HN 0.257 nan 8.280 nan 0.000 0.497 71 R N 3.466 124.025 120.500 0.099 0.000 2.369 71 R HA 0.273 4.613 4.340 -0.000 0.000 0.310 71 R C -1.321 174.812 176.300 -0.278 0.000 1.141 71 R CA -0.533 55.487 56.100 -0.134 0.000 1.116 71 R CB 0.241 30.413 30.300 -0.213 0.000 1.135 71 R HN 0.416 nan 8.270 nan 0.000 0.529 72 V N 5.611 125.427 119.914 -0.163 0.000 2.370 72 V HA 0.170 4.290 4.120 -0.000 0.000 0.257 72 V C 0.274 176.261 176.094 -0.179 0.000 1.064 72 V CA -0.116 62.111 62.300 -0.121 0.000 0.975 72 V CB -0.625 31.150 31.823 -0.080 0.000 1.067 72 V HN 0.287 nan 8.190 nan 0.000 0.485 73 F N 3.556 123.523 119.950 0.028 0.000 2.379 73 F HA 0.598 5.125 4.527 -0.000 0.000 0.332 73 F C 0.687 176.595 175.800 0.178 0.000 1.096 73 F CA -0.745 57.302 58.000 0.079 0.000 1.105 73 F CB 1.001 39.955 39.000 -0.077 0.000 1.189 73 F HN 0.303 nan 8.300 nan 0.000 0.515 74 R N 3.169 123.915 120.500 0.411 0.000 2.320 74 R HA 0.573 4.913 4.340 -0.000 0.000 0.319 74 R C -1.647 174.649 176.300 -0.006 0.000 0.969 74 R CA -0.727 55.602 56.100 0.381 0.000 0.857 74 R CB 0.440 31.027 30.300 0.480 0.000 1.160 74 R HN 0.562 nan 8.270 nan 0.000 0.491 75 I N 4.349 124.827 120.570 -0.153 0.000 2.342 75 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 75 I C 0.144 175.993 176.117 -0.447 0.000 1.010 75 I CA -0.345 60.794 61.300 -0.269 0.000 1.308 75 I CB 1.051 38.834 38.000 -0.362 0.000 1.400 75 I HN 0.395 nan 8.210 nan 0.000 0.488 76 H N 7.285 126.306 119.070 -0.082 0.000 2.746 76 H HA 0.404 4.960 4.556 -0.000 0.000 0.269 76 H C -0.501 174.732 175.328 -0.157 0.000 1.248 76 H CA -0.536 55.453 56.048 -0.098 0.000 1.258 76 H CB 0.400 30.144 29.762 -0.030 0.000 1.441 76 H HN 0.400 nan 8.280 nan 0.000 0.508 77 L N 5.115 126.233 121.223 -0.174 0.000 2.371 77 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 77 L C -1.800 174.862 176.870 -0.346 0.000 1.124 77 L CA -1.982 52.650 54.840 -0.347 0.000 0.816 77 L CB 0.281 41.979 42.059 -0.600 0.000 1.129 77 L HN 0.311 nan 8.230 nan 0.000 0.448 78 P HA -0.048 nan 4.420 nan 0.000 0.267 78 P C -0.784 176.416 177.300 -0.167 0.000 1.205 78 P CA -0.233 62.617 63.100 -0.416 0.000 0.765 78 P CB 0.651 31.947 31.700 -0.674 0.000 0.828 79 D N 5.385 125.795 120.400 0.017 0.000 2.451 79 D HA -0.030 4.610 4.640 -0.000 0.000 0.254 79 D C -0.919 175.530 176.300 0.249 0.000 1.204 79 D CA -1.503 52.592 54.000 0.158 0.000 0.896 79 D CB 0.452 41.337 40.800 0.140 0.000 1.136 79 D HN 0.247 nan 8.370 nan 0.000 0.499 80 P HA -0.136 nan 4.420 nan 0.000 0.221 80 P C 0.570 178.093 177.300 0.372 0.000 1.150 80 P CA 0.660 63.983 63.100 0.371 0.000 0.800 80 P CB 0.283 31.873 31.700 -0.183 0.000 0.787 81 N N 0.292 119.135 118.700 0.238 0.000 2.585 81 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 81 N C 1.301 176.944 175.510 0.221 0.000 1.102 81 N CA 1.015 54.191 53.050 0.210 0.000 0.920 81 N CB 0.004 38.637 38.487 0.244 0.000 0.963 81 N HN 0.416 nan 8.380 nan 0.000 0.447 82 K N -1.018 119.512 120.400 0.218 0.000 2.567 82 K HA 0.085 4.405 4.320 -0.000 0.000 0.218 82 K C -0.115 176.544 176.600 0.099 0.000 1.440 82 K CA -0.467 55.910 56.287 0.150 0.000 0.995 82 K CB 0.577 33.142 32.500 0.109 0.000 1.186 82 K HN -0.079 nan 8.250 nan 0.000 0.593 83 F N 2.954 122.860 119.950 -0.074 0.000 2.623 83 F HA 0.071 4.598 4.527 0.000 0.000 0.383 83 F C 1.029 176.590 175.800 -0.398 0.000 1.077 83 F CA -0.170 57.615 58.000 -0.359 0.000 1.268 83 F CB 0.481 39.085 39.000 -0.660 0.000 1.053 83 F HN 0.092 nan 8.300 nan 0.000 0.571 84 G N 7.599 115.804 108.800 -0.993 0.000 2.577 84 G HA2 0.017 3.977 3.960 -0.000 0.000 0.290 84 G HA3 0.017 3.977 3.960 -0.000 0.000 0.290 84 G C -0.575 173.623 174.900 -1.170 0.000 0.703 84 G CA -0.434 44.109 45.100 -0.928 0.000 2.032 84 G HN 0.548 nan 8.290 nan 0.000 0.508 85 F N 2.542 122.283 119.950 -0.348 0.000 2.410 85 F HA 0.264 4.791 4.527 -0.000 0.000 0.348 85 F C -0.420 175.406 175.800 0.043 0.000 1.106 85 F CA -2.110 55.874 58.000 -0.025 0.000 1.163 85 F CB 1.680 40.831 39.000 0.251 0.000 1.129 85 F HN 0.297 nan 8.300 nan 0.000 0.516 86 P HA -0.010 nan 4.420 nan 0.000 0.269 86 P C -0.990 176.458 177.300 0.245 0.000 1.376 86 P CA 0.770 64.006 63.100 0.226 0.000 0.775 86 P CB -0.068 31.768 31.700 0.226 0.000 1.345 87 D N -1.287 119.303 120.400 0.317 0.000 2.951 87 D HA 0.094 4.734 4.640 -0.000 0.000 0.262 87 D C -0.403 176.027 176.300 0.217 0.000 1.110 87 D CA -0.300 53.862 54.000 0.269 0.000 0.724 87 D CB 0.105 41.085 40.800 0.300 0.000 1.516 87 D HN -0.124 nan 8.370 nan 0.000 0.447 88 T N -0.850 113.623 114.554 -0.135 0.000 3.684 88 T HA 0.207 4.557 4.350 -0.000 0.000 0.317 88 T C 1.120 175.402 174.700 -0.696 0.000 0.922 88 T CA 0.443 62.202 62.100 -0.569 0.000 0.999 88 T CB -0.421 68.362 68.868 -0.141 0.000 1.204 88 T HN 0.373 nan 8.240 nan 0.000 0.534 89 S N 1.411 116.817 115.700 -0.489 0.000 2.446 89 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 89 S C 1.809 176.262 174.600 -0.246 0.000 1.016 89 S CA 0.411 58.442 58.200 -0.282 0.000 0.943 89 S CB -1.025 62.123 63.200 -0.087 0.000 0.786 89 S HN 0.594 nan 8.310 nan 0.000 0.508 90 F N 1.752 121.713 119.950 0.018 0.000 2.307 90 F HA 0.170 4.697 4.527 0.000 0.000 0.301 90 F C 0.948 176.783 175.800 0.058 0.000 1.076 90 F CA -0.362 57.641 58.000 0.005 0.000 1.383 90 F CB -1.263 37.706 39.000 -0.051 0.000 1.055 90 F HN 0.491 nan 8.300 nan 0.000 0.526 91 Y N 0.305 120.386 120.300 -0.365 0.000 2.698 91 Y HA 0.602 5.152 4.550 0.000 0.000 0.332 91 Y C -1.241 174.517 175.900 -0.236 0.000 1.119 91 Y CA -2.071 55.922 58.100 -0.179 0.000 1.109 91 Y CB 1.143 39.576 38.460 -0.045 0.000 1.308 91 Y HN -0.109 nan 8.280 nan 0.000 0.499 92 N N 2.412 120.730 118.700 -0.636 0.000 2.573 92 N HA 0.399 5.139 4.740 -0.000 0.000 0.262 92 N C -2.396 172.654 175.510 -0.767 0.000 1.029 92 N CA -2.520 50.129 53.050 -0.669 0.000 0.882 92 N CB 1.790 40.097 38.487 -0.300 0.000 1.204 92 N HN 0.405 nan 8.380 nan 0.000 0.519 93 P HA -0.101 nan 4.420 nan 0.000 0.231 93 P C -0.440 176.726 177.300 -0.225 0.000 1.154 93 P CA 1.022 63.791 63.100 -0.552 0.000 0.762 93 P CB 0.427 31.890 31.700 -0.396 0.000 0.790 94 D N -1.038 119.232 120.400 -0.217 0.000 2.394 94 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 94 D C 1.790 178.030 176.300 -0.100 0.000 0.990 94 D CA 1.529 55.452 54.000 -0.128 0.000 0.902 94 D CB -0.044 40.686 40.800 -0.116 0.000 1.038 94 D HN 0.304 nan 8.370 nan 0.000 0.499 95 T N -1.785 112.703 114.554 -0.110 0.000 3.028 95 T HA 0.062 4.412 4.350 -0.000 0.000 0.250 95 T C 0.886 175.537 174.700 -0.082 0.000 0.979 95 T CA -0.341 61.711 62.100 -0.081 0.000 1.004 95 T CB 0.368 69.198 68.868 -0.064 0.000 1.120 95 T HN 0.118 nan 8.240 nan 0.000 0.482 96 Q N 1.040 120.797 119.800 -0.071 0.000 2.312 96 Q HA 0.644 4.984 4.340 -0.000 0.000 0.263 96 Q C -1.038 174.988 176.000 0.042 0.000 0.995 96 Q CA -1.091 54.699 55.803 -0.023 0.000 0.853 96 Q CB 1.921 30.681 28.738 0.037 0.000 1.300 96 Q HN 0.029 nan 8.270 nan 0.000 0.448 97 R N 2.687 123.099 120.500 -0.146 0.000 2.637 97 R HA 0.490 4.830 4.340 -0.000 0.000 0.291 97 R C -0.473 175.725 176.300 -0.170 0.000 0.963 97 R CA -0.860 55.098 56.100 -0.236 0.000 0.901 97 R CB 1.597 31.358 30.300 -0.899 0.000 1.160 97 R HN 0.703 nan 8.270 nan 0.000 0.457 98 L N 2.253 123.366 121.223 -0.184 0.000 2.397 98 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 98 L C 0.122 177.025 176.870 0.055 0.000 1.148 98 L CA -0.476 54.245 54.840 -0.198 0.000 0.825 98 L CB 0.623 42.422 42.059 -0.433 0.000 1.117 98 L HN 0.130 nan 8.230 nan 0.000 0.456 99 V N 0.670 120.577 119.914 -0.011 0.000 2.962 99 V HA 0.405 4.525 4.120 -0.000 0.000 0.313 99 V C -0.783 175.228 176.094 -0.139 0.000 1.099 99 V CA -0.738 61.635 62.300 0.122 0.000 0.971 99 V CB 2.190 34.169 31.823 0.258 0.000 1.028 99 V HN 0.619 nan 8.190 nan 0.000 0.430 100 W N 1.343 122.648 121.300 0.009 0.000 2.359 100 W HA 0.740 5.400 4.660 0.000 0.000 0.344 100 W C 0.146 176.656 176.519 -0.014 0.000 1.170 100 W CA -0.111 57.220 57.345 -0.024 0.000 1.296 100 W CB 1.472 30.857 29.460 -0.125 0.000 1.197 100 W HN 0.709 nan 8.180 nan 0.000 0.618 101 A N 1.662 124.749 122.820 0.446 0.000 2.455 101 A HA 0.656 4.976 4.320 -0.000 0.000 0.300 101 A C -1.722 176.082 177.584 0.366 0.000 1.040 101 A CA -0.625 51.559 52.037 0.245 0.000 0.697 101 A CB 1.176 20.226 19.000 0.083 0.000 1.265 101 A HN 0.689 nan 8.150 nan 0.000 0.407 102 C N 2.180 121.575 119.300 0.158 0.000 2.456 102 C HA 0.780 5.240 4.460 -0.000 0.000 0.325 102 C C 1.123 176.029 174.990 -0.139 0.000 1.217 102 C CA 0.432 59.469 59.018 0.032 0.000 1.687 102 C CB 0.875 28.651 27.740 0.060 0.000 2.270 102 C HN 1.467 nan 8.230 nan 0.000 0.499 103 V N 2.534 122.323 119.914 -0.208 0.000 3.180 103 V HA 0.521 4.641 4.120 -0.000 0.000 0.246 103 V C 0.640 176.641 176.094 -0.154 0.000 1.545 103 V CA 0.773 62.955 62.300 -0.197 0.000 1.138 103 V CB -0.542 31.121 31.823 -0.267 0.000 0.978 103 V HN 1.002 nan 8.190 nan 0.000 0.437 104 G N 0.381 109.012 108.800 -0.283 0.000 2.470 104 G HA2 0.666 4.626 3.960 -0.000 0.000 0.320 104 G HA3 0.666 4.626 3.960 -0.000 0.000 0.320 104 G C -1.544 173.110 174.900 -0.411 0.000 1.245 104 G CA -0.555 44.429 45.100 -0.194 0.000 0.935 104 G HN 0.467 nan 8.290 nan 0.000 0.476 105 V N 1.477 121.083 119.914 -0.513 0.000 2.891 105 V HA 0.526 4.646 4.120 -0.000 0.000 0.304 105 V C -0.886 174.764 176.094 -0.740 0.000 1.171 105 V CA -0.799 61.148 62.300 -0.588 0.000 0.943 105 V CB 2.287 33.957 31.823 -0.255 0.000 1.037 105 V HN 0.869 nan 8.190 nan 0.000 0.427 106 E N 2.505 122.232 120.200 -0.789 0.000 2.256 106 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 106 E C -1.843 174.436 176.600 -0.536 0.000 0.877 106 E CA -0.513 55.393 56.400 -0.824 0.000 0.757 106 E CB 2.444 31.754 29.700 -0.649 0.000 1.183 106 E HN 0.441 nan 8.360 nan 0.000 0.418 107 V N 3.572 123.329 119.914 -0.263 0.000 2.311 107 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 107 V C 0.592 176.667 176.094 -0.032 0.000 1.022 107 V CA -0.535 61.736 62.300 -0.049 0.000 0.830 107 V CB 1.206 33.211 31.823 0.303 0.000 1.012 107 V HN 0.782 nan 8.190 nan 0.000 0.452 108 G N 5.841 114.556 108.800 -0.142 0.000 2.367 108 G HA2 0.248 4.208 3.960 -0.000 0.000 0.282 108 G HA3 0.248 4.208 3.960 -0.000 0.000 0.282 108 G C 0.105 174.925 174.900 -0.134 0.000 1.140 108 G CA -0.366 44.656 45.100 -0.130 0.000 1.088 108 G HN 0.477 nan 8.290 nan 0.000 0.431 109 R N 2.177 122.597 120.500 -0.134 0.000 2.338 109 R HA 0.369 4.709 4.340 -0.000 0.000 0.317 109 R C 0.545 176.743 176.300 -0.171 0.000 0.968 109 R CA -0.586 55.360 56.100 -0.257 0.000 0.849 109 R CB 2.083 32.223 30.300 -0.266 0.000 1.128 109 R HN 0.495 nan 8.270 nan 0.000 0.448 110 G N 2.654 111.342 108.800 -0.186 0.000 4.420 110 G HA2 0.179 4.139 3.960 -0.000 0.000 0.299 110 G HA3 0.179 4.139 3.960 -0.000 0.000 0.299 110 G C -0.200 174.651 174.900 -0.081 0.000 1.343 110 G CA -0.096 44.942 45.100 -0.105 0.000 1.272 110 G HN 0.284 nan 8.290 nan 0.000 0.610 111 Q N 0.457 120.210 119.800 -0.078 0.000 2.479 111 Q HA 0.255 4.595 4.340 -0.000 0.000 0.276 111 Q C -2.970 173.012 176.000 -0.030 0.000 0.989 111 Q CA -1.355 54.420 55.803 -0.047 0.000 0.864 111 Q CB 3.094 31.794 28.738 -0.064 0.000 1.444 111 Q HN 0.166 nan 8.270 nan 0.000 0.388 112 P HA 0.095 nan 4.420 nan 0.000 0.267 112 P C -0.336 176.968 177.300 0.006 0.000 1.205 112 P CA -0.423 62.676 63.100 -0.002 0.000 0.765 112 P CB 0.578 32.279 31.700 0.003 0.000 0.828 113 L N 3.253 124.480 121.223 0.007 0.000 2.540 113 L HA 0.399 4.739 4.340 -0.000 0.000 0.276 113 L C 1.434 178.314 176.870 0.017 0.000 1.212 113 L CA 1.771 56.620 54.840 0.015 0.000 0.893 113 L CB -0.641 41.428 42.059 0.018 0.000 1.138 113 L HN 0.807 nan 8.230 nan 0.000 0.491 114 G N 1.711 110.524 108.800 0.022 0.000 2.427 114 G HA2 0.542 4.502 3.960 -0.000 0.000 0.306 114 G HA3 0.542 4.502 3.960 -0.000 0.000 0.306 114 G C -1.505 173.401 174.900 0.011 0.000 1.280 114 G CA -0.092 45.017 45.100 0.015 0.000 0.837 114 G HN 0.590 nan 8.290 nan 0.000 0.482 115 V N -1.293 118.619 119.914 -0.003 0.000 2.483 115 V HA 0.900 5.020 4.120 -0.000 0.000 0.295 115 V C 0.712 176.778 176.094 -0.046 0.000 1.035 115 V CA -0.095 62.197 62.300 -0.013 0.000 0.896 115 V CB 1.115 32.935 31.823 -0.006 0.000 0.986 115 V HN 1.522 nan 8.190 nan 0.000 0.447 116 G N 3.162 111.921 108.800 -0.068 0.000 2.420 116 G HA2 0.631 4.591 3.960 -0.000 0.000 0.284 116 G HA3 0.631 4.591 3.960 -0.000 0.000 0.284 116 G C -0.860 173.981 174.900 -0.099 0.000 1.177 116 G CA -0.604 44.419 45.100 -0.127 0.000 0.841 116 G HN 0.987 nan 8.290 nan 0.000 0.527 117 I N 0.447 120.960 120.570 -0.095 0.000 2.608 117 I HA 0.643 4.813 4.170 -0.000 0.000 0.295 117 I C -0.713 175.407 176.117 0.005 0.000 1.049 117 I CA -0.611 60.642 61.300 -0.078 0.000 1.063 117 I CB 2.204 40.184 38.000 -0.032 0.000 1.248 117 I HN 0.467 nan 8.210 nan 0.000 0.424 118 S N 3.656 119.324 115.700 -0.052 0.000 2.549 118 S HA 0.930 5.400 4.470 -0.000 0.000 0.280 118 S C -0.384 174.302 174.600 0.143 0.000 1.109 118 S CA -0.477 57.872 58.200 0.249 0.000 0.905 118 S CB 2.043 65.300 63.200 0.096 0.000 1.081 118 S HN 0.966 nan 8.310 nan 0.000 0.477 119 G N 0.821 109.772 108.800 0.252 0.000 2.682 119 G HA2 0.597 4.557 3.960 -0.000 0.000 0.303 119 G HA3 0.597 4.557 3.960 -0.000 0.000 0.303 119 G C -2.165 172.814 174.900 0.132 0.000 1.341 119 G CA -0.367 44.822 45.100 0.148 0.000 0.784 119 G HN 0.618 nan 8.290 nan 0.000 0.497 120 H N -0.137 118.952 119.070 0.031 0.000 3.017 120 H HA 0.422 4.978 4.556 -0.000 0.000 0.340 120 H C -2.224 173.095 175.328 -0.015 0.000 1.014 120 H CA -1.641 54.412 56.048 0.009 0.000 1.341 120 H CB 2.850 32.624 29.762 0.020 0.000 1.739 120 H HN 0.104 nan 8.280 nan 0.000 0.506 121 P HA -0.030 nan 4.420 nan 0.000 0.219 121 P C 0.139 177.561 177.300 0.203 0.000 1.146 121 P CA 1.161 64.359 63.100 0.163 0.000 0.808 121 P CB 0.312 32.041 31.700 0.047 0.000 0.779 122 L N -1.265 120.197 121.223 0.399 0.000 2.732 122 L HA 0.309 4.649 4.340 -0.000 0.000 0.246 122 L C -0.236 176.422 176.870 -0.353 0.000 1.407 122 L CA -0.959 53.882 54.840 0.001 0.000 0.861 122 L CB 0.431 42.500 42.059 0.016 0.000 1.161 122 L HN -0.129 nan 8.230 nan 0.000 0.510 123 L N 0.950 122.024 121.223 -0.248 0.000 2.367 123 L HA 0.263 4.603 4.340 -0.000 0.000 0.275 123 L C 0.854 177.596 176.870 -0.215 0.000 1.129 123 L CA 0.400 55.067 54.840 -0.289 0.000 0.839 123 L CB 0.552 42.577 42.059 -0.056 0.000 1.133 123 L HN 0.292 nan 8.230 nan 0.000 0.453 124 N N 5.132 123.668 118.700 -0.273 0.000 2.484 124 N HA -0.029 4.711 4.740 -0.000 0.000 0.295 124 N C -0.892 174.560 175.510 -0.098 0.000 1.240 124 N CA 0.318 53.245 53.050 -0.205 0.000 1.085 124 N CB -0.332 37.997 38.487 -0.262 0.000 1.465 124 N HN 0.587 nan 8.380 nan 0.000 0.496 125 K N 3.359 123.732 120.400 -0.044 0.000 2.316 125 K HA 0.192 4.512 4.320 -0.000 0.000 0.251 125 K C -0.056 176.506 176.600 -0.064 0.000 0.934 125 K CA -0.625 55.682 56.287 0.034 0.000 0.802 125 K CB 1.675 34.079 32.500 -0.160 0.000 1.171 125 K HN 0.247 nan 8.250 nan 0.000 0.426 126 L N 2.528 123.736 121.223 -0.024 0.000 2.370 126 L HA 0.261 4.601 4.340 -0.000 0.000 0.191 126 L C -0.367 176.449 176.870 -0.090 0.000 1.203 126 L CA 1.540 56.352 54.840 -0.048 0.000 0.825 126 L CB -0.143 41.911 42.059 -0.008 0.000 1.048 126 L HN 0.896 nan 8.230 nan 0.000 0.487 127 D N -2.147 118.214 120.400 -0.064 0.000 2.579 127 D HA 0.312 4.952 4.640 -0.000 0.000 0.257 127 D C -1.532 174.769 176.300 0.000 0.000 1.176 127 D CA -0.607 53.358 54.000 -0.058 0.000 0.914 127 D CB 0.547 41.329 40.800 -0.031 0.000 1.431 127 D HN 0.036 nan 8.370 nan 0.000 0.454 128 D N -1.345 119.076 120.400 0.036 0.000 2.277 128 D HA 0.344 4.984 4.640 -0.000 0.000 0.249 128 D C 0.671 177.031 176.300 0.100 0.000 1.134 128 D CA -0.340 53.749 54.000 0.148 0.000 0.863 128 D CB 1.186 42.056 40.800 0.117 0.000 1.143 128 D HN 0.405 nan 8.370 nan 0.000 0.458 129 T N -0.000 114.629 114.554 0.124 0.000 3.069 129 T HA 0.059 4.409 4.350 -0.000 0.000 0.252 129 T C 1.386 176.104 174.700 0.031 0.000 1.053 129 T CA -0.162 61.989 62.100 0.084 0.000 0.964 129 T CB 0.009 68.981 68.868 0.173 0.000 1.005 129 T HN 0.528 nan 8.240 nan 0.000 0.532 130 E N 2.102 122.322 120.200 0.035 0.000 2.110 130 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 130 E C 0.358 176.956 176.600 -0.004 0.000 0.988 130 E CA 0.757 57.158 56.400 0.003 0.000 0.804 130 E CB 0.163 29.877 29.700 0.023 0.000 0.745 130 E HN 0.527 nan 8.360 nan 0.000 0.458 131 N N -0.920 117.784 118.700 0.008 0.000 2.718 131 N HA 0.296 5.036 4.740 -0.000 0.000 0.260 131 N C -1.785 173.721 175.510 -0.006 0.000 1.089 131 N CA 0.055 53.102 53.050 -0.004 0.000 1.021 131 N CB 1.500 39.988 38.487 0.002 0.000 1.618 131 N HN 0.148 nan 8.380 nan 0.000 0.554 132 A N 1.537 124.343 122.820 -0.024 0.000 2.347 132 A HA 0.777 5.097 4.320 -0.000 0.000 0.301 132 A C 0.580 178.150 177.584 -0.022 0.000 1.163 132 A CA 0.108 52.127 52.037 -0.030 0.000 0.860 132 A CB 0.945 19.908 19.000 -0.062 0.000 1.367 132 A HN 1.015 nan 8.150 nan 0.000 0.461 133 S N -1.890 113.800 115.700 -0.016 0.000 2.649 133 S HA 0.618 5.088 4.470 -0.000 0.000 0.246 133 S C 0.188 174.792 174.600 0.007 0.000 1.057 133 S CA 0.697 58.896 58.200 -0.002 0.000 1.051 133 S CB 0.190 63.392 63.200 0.003 0.000 1.018 133 S HN 2.291 nan 8.310 nan 0.000 0.569 134 A N 0.360 123.183 122.820 0.004 0.000 2.594 134 A HA 0.587 4.907 4.320 -0.000 0.000 0.296 134 A C -1.412 176.193 177.584 0.035 0.000 1.056 134 A CA -0.774 51.286 52.037 0.037 0.000 0.693 134 A CB 0.021 19.046 19.000 0.041 0.000 1.278 134 A HN 0.314 nan 8.150 nan 0.000 0.408 135 Y N 1.712 122.017 120.300 0.009 0.000 2.865 135 Y HA 0.187 4.737 4.550 -0.000 0.000 0.338 135 Y C 1.309 177.212 175.900 0.004 0.000 1.269 135 Y CA 1.456 59.560 58.100 0.008 0.000 1.585 135 Y CB 0.408 38.871 38.460 0.005 0.000 1.224 135 Y HN 1.043 nan 8.280 nan 0.000 0.554 136 A N 5.136 128.011 122.820 0.092 0.000 2.587 136 A HA 0.339 4.659 4.320 -0.000 0.000 0.235 136 A C 0.285 177.966 177.584 0.160 0.000 1.044 136 A CA 0.102 52.191 52.037 0.087 0.000 0.754 136 A CB -0.374 18.634 19.000 0.014 0.000 0.968 136 A HN 0.969 nan 8.150 nan 0.000 0.509 137 A N 3.711 126.578 122.820 0.080 0.000 2.371 137 A HA 0.467 4.787 4.320 -0.000 0.000 0.257 137 A C 0.634 178.250 177.584 0.053 0.000 1.089 137 A CA -0.503 51.570 52.037 0.059 0.000 0.794 137 A CB -0.113 18.904 19.000 0.029 0.000 1.029 137 A HN 0.955 nan 8.150 nan 0.000 0.488 138 N N -0.068 118.657 118.700 0.041 0.000 2.237 138 N HA 0.300 5.040 4.740 -0.000 0.000 0.222 138 N C 0.037 175.554 175.510 0.012 0.000 1.311 138 N CA 1.262 54.328 53.050 0.027 0.000 0.880 138 N CB 0.236 38.729 38.487 0.011 0.000 1.106 138 N HN 0.805 nan 8.380 nan 0.000 0.435 139 A N 0.531 123.353 122.820 0.004 0.000 2.341 139 A HA 0.566 4.886 4.320 -0.000 0.000 0.326 139 A C 1.277 178.854 177.584 -0.011 0.000 1.402 139 A CA -0.275 51.758 52.037 -0.008 0.000 0.957 139 A CB -0.406 18.586 19.000 -0.013 0.000 1.151 139 A HN 0.679 nan 8.150 nan 0.000 0.533 140 G N 1.378 110.170 108.800 -0.012 0.000 3.552 140 G HA2 0.052 4.012 3.960 -0.000 0.000 0.233 140 G HA3 0.052 4.012 3.960 -0.000 0.000 0.233 140 G C 0.260 175.148 174.900 -0.019 0.000 0.923 140 G CA 1.439 46.530 45.100 -0.015 0.000 0.826 140 G HN 1.247 nan 8.290 nan 0.000 1.237 141 V N 0.059 119.960 119.914 -0.022 0.000 2.668 141 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 141 V C -0.595 175.481 176.094 -0.030 0.000 1.071 141 V CA -0.090 62.195 62.300 -0.026 0.000 0.894 141 V CB 1.763 33.572 31.823 -0.023 0.000 1.008 141 V HN 0.833 nan 8.190 nan 0.000 0.425 142 D N 3.243 123.621 120.400 -0.038 0.000 3.293 142 D HA -0.140 4.500 4.640 -0.000 0.000 0.252 142 D C 0.312 176.585 176.300 -0.045 0.000 1.073 142 D CA 0.508 54.482 54.000 -0.044 0.000 0.957 142 D CB -0.430 40.348 40.800 -0.037 0.000 0.987 142 D HN 0.832 nan 8.370 nan 0.000 0.422 143 N N 0.685 119.354 118.700 -0.051 0.000 2.230 143 N HA 0.068 4.808 4.740 -0.000 0.000 0.202 143 N C 0.120 175.590 175.510 -0.067 0.000 1.119 143 N CA -0.260 52.759 53.050 -0.052 0.000 0.851 143 N CB 0.379 38.835 38.487 -0.051 0.000 0.990 143 N HN 0.261 nan 8.380 nan 0.000 0.497 144 R N 1.656 122.111 120.500 -0.075 0.000 2.505 144 R HA -0.084 4.256 4.340 -0.000 0.000 0.274 144 R C 0.214 176.467 176.300 -0.078 0.000 0.955 144 R CA 0.876 56.921 56.100 -0.092 0.000 1.109 144 R CB 0.104 30.346 30.300 -0.096 0.000 0.890 144 R HN 0.398 nan 8.270 nan 0.000 0.415 145 E N 1.264 121.412 120.200 -0.086 0.000 2.442 145 E HA 0.269 4.619 4.350 -0.000 0.000 0.261 145 E C -0.995 175.583 176.600 -0.037 0.000 0.935 145 E CA -0.933 55.428 56.400 -0.065 0.000 0.856 145 E CB 1.384 31.029 29.700 -0.092 0.000 1.571 145 E HN 0.545 nan 8.360 nan 0.000 0.431 146 C N 1.907 121.193 119.300 -0.024 0.000 2.206 146 C HA 0.636 5.096 4.460 -0.000 0.000 0.324 146 C C -0.332 174.663 174.990 0.008 0.000 1.120 146 C CA -0.276 58.748 59.018 0.010 0.000 1.546 146 C CB -2.127 25.619 27.740 0.009 0.000 2.023 146 C HN 0.478 nan 8.230 nan 0.000 0.448 147 I N 4.821 125.413 120.570 0.037 0.000 2.863 147 I HA 0.669 4.839 4.170 -0.000 0.000 0.311 147 I C 0.472 176.644 176.117 0.092 0.000 1.026 147 I CA 0.049 61.386 61.300 0.063 0.000 1.077 147 I CB 2.505 40.567 38.000 0.104 0.000 1.262 147 I HN 0.749 nan 8.210 nan 0.000 0.461 148 S N 3.662 119.412 115.700 0.083 0.000 2.851 148 S HA 0.827 5.297 4.470 -0.000 0.000 0.313 148 S C -0.571 174.055 174.600 0.044 0.000 1.163 148 S CA -0.812 57.430 58.200 0.071 0.000 0.850 148 S CB 2.258 65.483 63.200 0.042 0.000 1.245 148 S HN 0.667 nan 8.310 nan 0.000 0.558 149 M N -0.568 119.002 119.600 -0.049 0.000 3.515 149 M HA 0.550 5.030 4.480 -0.000 0.000 0.471 149 M C -2.354 173.837 176.300 -0.183 0.000 2.004 149 M CA -0.709 54.536 55.300 -0.093 0.000 0.783 149 M CB 0.141 32.693 32.600 -0.080 0.000 3.314 149 M HN 0.688 nan 8.290 nan 0.000 0.470 150 D N 0.760 121.042 120.400 -0.196 0.000 2.476 150 D HA 0.453 5.093 4.640 -0.000 0.000 0.251 150 D C -1.131 175.100 176.300 -0.115 0.000 1.291 150 D CA -0.231 53.666 54.000 -0.170 0.000 0.939 150 D CB 0.621 41.373 40.800 -0.081 0.000 1.221 150 D HN 0.572 nan 8.370 nan 0.000 0.567 151 Y N 1.216 121.508 120.300 -0.013 0.000 2.139 151 Y HA -0.050 4.500 4.550 0.000 0.000 0.368 151 Y C 1.607 177.485 175.900 -0.037 0.000 1.260 151 Y CA -0.440 57.644 58.100 -0.026 0.000 1.696 151 Y CB 0.672 39.152 38.460 0.032 0.000 1.439 151 Y HN 0.247 nan 8.280 nan 0.000 0.707 152 K N 1.185 121.679 120.400 0.156 0.000 2.276 152 K HA 0.160 4.480 4.320 -0.000 0.000 0.283 152 K C -0.810 175.847 176.600 0.095 0.000 1.044 152 K CA -0.636 55.696 56.287 0.076 0.000 0.944 152 K CB 0.737 33.263 32.500 0.043 0.000 1.012 152 K HN 0.511 nan 8.250 nan 0.000 0.472 153 Q N 1.980 121.831 119.800 0.084 0.000 2.262 153 Q HA -0.010 4.330 4.340 -0.000 0.000 0.298 153 Q C -0.846 175.205 176.000 0.085 0.000 1.083 153 Q CA 0.824 56.677 55.803 0.084 0.000 0.962 153 Q CB 0.478 29.262 28.738 0.077 0.000 1.104 153 Q HN 0.644 nan 8.270 nan 0.000 0.376 154 T N 4.639 119.245 114.554 0.088 0.000 3.050 154 T HA 0.268 4.618 4.350 -0.000 0.000 0.310 154 T C -1.132 173.632 174.700 0.105 0.000 0.978 154 T CA -0.552 61.604 62.100 0.093 0.000 1.013 154 T CB 1.257 70.170 68.868 0.075 0.000 1.000 154 T HN 0.519 nan 8.240 nan 0.000 0.447 155 Q N 3.306 123.183 119.800 0.128 0.000 2.321 155 Q HA 0.743 5.083 4.340 -0.000 0.000 0.270 155 Q C -1.692 174.423 176.000 0.192 0.000 1.032 155 Q CA -1.021 54.907 55.803 0.209 0.000 0.784 155 Q CB 1.240 30.078 28.738 0.166 0.000 1.264 155 Q HN 0.624 nan 8.270 nan 0.000 0.448 156 L N 1.113 122.542 121.223 0.342 0.000 2.643 156 L HA 0.662 5.002 4.340 -0.000 0.000 0.256 156 L C -2.022 175.043 176.870 0.324 0.000 0.931 156 L CA -0.823 54.145 54.840 0.213 0.000 0.895 156 L CB 1.248 43.391 42.059 0.141 0.000 1.430 156 L HN 0.632 nan 8.230 nan 0.000 0.419 157 C N 3.694 123.082 119.300 0.146 0.000 2.441 157 C HA 0.918 5.378 4.460 -0.000 0.000 0.318 157 C C -0.842 174.159 174.990 0.018 0.000 1.222 157 C CA -0.451 58.642 59.018 0.125 0.000 1.474 157 C CB 0.705 28.442 27.740 -0.004 0.000 2.125 157 C HN 0.886 nan 8.230 nan 0.000 0.479 158 L N 6.540 127.829 121.223 0.111 0.000 2.408 158 L HA 0.683 5.023 4.340 -0.000 0.000 0.268 158 L C -0.789 176.176 176.870 0.159 0.000 0.986 158 L CA -0.578 54.328 54.840 0.110 0.000 0.820 158 L CB 1.782 43.898 42.059 0.094 0.000 1.303 158 L HN 0.530 nan 8.230 nan 0.000 0.411 159 I N 1.757 122.443 120.570 0.193 0.000 2.478 159 I HA 0.747 4.917 4.170 -0.000 0.000 0.287 159 I C 0.052 176.107 176.117 -0.104 0.000 1.042 159 I CA -0.326 61.139 61.300 0.275 0.000 1.067 159 I CB 2.092 40.456 38.000 0.606 0.000 1.233 159 I HN 0.724 nan 8.210 nan 0.000 0.431 160 G N 2.740 111.410 108.800 -0.217 0.000 2.687 160 G HA2 0.420 4.380 3.960 -0.000 0.000 0.291 160 G HA3 0.420 4.380 3.960 -0.000 0.000 0.291 160 G C 0.148 174.895 174.900 -0.254 0.000 1.420 160 G CA -0.376 44.309 45.100 -0.693 0.000 0.796 160 G HN 0.732 nan 8.290 nan 0.000 0.485 161 C N -1.624 117.538 119.300 -0.230 0.000 2.735 161 C HA 0.493 4.953 4.460 -0.000 0.000 0.271 161 C C 0.497 175.384 174.990 -0.172 0.000 1.281 161 C CA -0.440 58.516 59.018 -0.104 0.000 1.719 161 C CB -0.707 27.081 27.740 0.081 0.000 2.024 161 C HN 0.290 nan 8.230 nan 0.000 0.566 162 K N 2.342 122.702 120.400 -0.066 0.000 2.123 162 K HA 0.561 4.881 4.320 -0.000 0.000 0.248 162 K C -2.688 174.100 176.600 0.314 0.000 0.969 162 K CA -2.562 53.752 56.287 0.044 0.000 0.882 162 K CB 0.432 32.933 32.500 0.002 0.000 1.080 162 K HN 0.139 nan 8.250 nan 0.000 0.441 163 P HA 0.175 nan 4.420 nan 0.000 0.274 163 P C -2.387 174.804 177.300 -0.181 0.000 1.231 163 P CA -1.162 61.829 63.100 -0.182 0.000 0.790 163 P CB -0.016 31.272 31.700 -0.687 0.000 0.951 164 P HA 0.260 nan 4.420 nan 0.000 0.272 164 P C -0.416 176.762 177.300 -0.204 0.000 1.240 164 P CA 0.131 63.122 63.100 -0.182 0.000 0.791 164 P CB 0.722 32.324 31.700 -0.164 0.000 0.978 165 I N 0.569 121.016 120.570 -0.204 0.000 2.517 165 I HA 0.307 4.477 4.170 -0.000 0.000 0.280 165 I C 0.949 176.925 176.117 -0.235 0.000 1.061 165 I CA -0.457 60.723 61.300 -0.199 0.000 1.091 165 I CB 1.573 39.479 38.000 -0.157 0.000 1.205 165 I HN 0.392 nan 8.210 nan 0.000 0.459 166 G N 4.872 113.529 108.800 -0.238 0.000 2.508 166 G HA2 0.614 4.574 3.960 -0.000 0.000 0.278 166 G HA3 0.614 4.574 3.960 -0.000 0.000 0.278 166 G C -0.527 174.285 174.900 -0.147 0.000 1.389 166 G CA -0.144 44.817 45.100 -0.230 0.000 1.050 166 G HN 0.657 nan 8.290 nan 0.000 0.522 167 E N -2.180 117.957 120.200 -0.105 0.000 2.459 167 E HA 0.645 4.995 4.350 -0.000 0.000 0.275 167 E C -1.283 175.325 176.600 0.014 0.000 0.987 167 E CA -1.070 55.270 56.400 -0.101 0.000 0.828 167 E CB 2.309 31.896 29.700 -0.189 0.000 1.428 167 E HN 0.836 nan 8.360 nan 0.000 0.457 168 H N -1.703 117.208 119.070 -0.265 0.000 2.917 168 H HA 0.089 4.645 4.556 -0.000 0.000 0.272 168 H C -2.002 173.173 175.328 -0.256 0.000 1.228 168 H CA -1.160 54.751 56.048 -0.228 0.000 1.614 168 H CB -0.889 28.793 29.762 -0.135 0.000 1.959 168 H HN 0.660 nan 8.280 nan 0.000 0.500 169 W N 2.033 123.279 121.300 -0.090 0.000 2.049 169 W HA 0.575 5.235 4.660 0.000 0.000 0.356 169 W C 0.913 177.361 176.519 -0.120 0.000 1.323 169 W CA 1.168 58.427 57.345 -0.143 0.000 1.336 169 W CB 0.958 30.392 29.460 -0.044 0.000 1.176 169 W HN 0.962 nan 8.180 nan 0.000 0.623 170 G N 0.318 109.219 108.800 0.169 0.000 2.632 170 G HA2 0.308 4.268 3.960 -0.000 0.000 0.292 170 G HA3 0.308 4.268 3.960 -0.000 0.000 0.292 170 G C -2.054 172.902 174.900 0.093 0.000 1.465 170 G CA -1.235 43.922 45.100 0.095 0.000 0.824 170 G HN 0.350 nan 8.290 nan 0.000 0.509 171 K N 0.746 121.190 120.400 0.073 0.000 2.292 171 K HA 0.475 4.795 4.320 -0.000 0.000 0.290 171 K C 0.418 177.043 176.600 0.041 0.000 1.083 171 K CA -0.249 56.069 56.287 0.052 0.000 0.918 171 K CB 0.336 32.860 32.500 0.040 0.000 1.089 171 K HN 0.579 nan 8.250 nan 0.000 0.473 172 G N 3.100 111.924 108.800 0.039 0.000 2.741 172 G HA2 0.071 4.031 3.960 -0.000 0.000 0.336 172 G HA3 0.071 4.031 3.960 -0.000 0.000 0.336 172 G C -0.434 174.479 174.900 0.023 0.000 1.022 172 G CA -0.482 44.633 45.100 0.026 0.000 1.193 172 G HN 0.681 nan 8.290 nan 0.000 0.455 173 S N 2.687 118.399 115.700 0.020 0.000 4.684 173 S HA -0.135 4.335 4.470 -0.000 0.000 0.558 173 S C -0.829 173.780 174.600 0.015 0.000 0.881 173 S CA -0.106 58.103 58.200 0.015 0.000 1.166 173 S CB 0.009 63.215 63.200 0.011 0.000 2.091 173 S HN 0.617 nan 8.310 nan 0.000 0.346 174 P HA -0.121 nan 4.420 nan 0.000 0.291 174 P C -0.102 177.204 177.300 0.011 0.000 1.855 174 P CA 0.168 63.275 63.100 0.012 0.000 1.607 174 P CB 0.356 32.061 31.700 0.009 0.000 0.655 175 C N -0.348 118.957 119.300 0.009 0.000 2.251 175 C HA 0.186 4.646 4.460 -0.000 0.000 0.323 175 C C 0.981 175.974 174.990 0.006 0.000 1.241 175 C CA -0.047 58.975 59.018 0.008 0.000 1.601 175 C CB -0.313 27.431 27.740 0.008 0.000 2.251 175 C HN 0.442 nan 8.230 nan 0.000 0.488 176 T N 3.546 118.104 114.554 0.006 0.000 4.118 176 T HA -0.062 4.288 4.350 -0.000 0.000 0.256 176 T C 0.181 174.883 174.700 0.004 0.000 1.009 176 T CA 1.131 63.234 62.100 0.005 0.000 0.971 176 T CB -0.781 68.090 68.868 0.004 0.000 1.185 176 T HN 0.718 nan 8.240 nan 0.000 0.649 177 Q N -0.451 119.351 119.800 0.004 0.000 2.389 177 Q HA 0.442 4.782 4.340 -0.000 0.000 0.277 177 Q C -0.330 175.671 176.000 0.003 0.000 1.082 177 Q CA -0.842 54.963 55.803 0.003 0.000 0.810 177 Q CB 2.444 31.184 28.738 0.004 0.000 1.374 177 Q HN 0.023 nan 8.270 nan 0.000 0.422 178 V N 2.268 122.183 119.914 0.002 0.000 5.720 178 V HA -0.316 3.804 4.120 -0.000 0.000 0.167 178 V C 0.740 176.835 176.094 0.001 0.000 0.719 178 V CA 1.288 63.589 62.300 0.002 0.000 0.518 178 V CB -1.380 30.444 31.823 0.001 0.000 0.203 178 V HN 0.893 nan 8.190 nan 0.000 0.402 179 A N 3.680 126.501 122.820 0.001 0.000 1.897 179 A HA 0.322 4.642 4.320 -0.000 0.000 0.203 179 A C 0.951 178.536 177.584 0.000 0.000 1.491 179 A CA 0.682 52.719 52.037 0.001 0.000 1.578 179 A CB -1.194 17.806 19.000 0.001 0.000 0.694 179 A HN 2.097 nan 8.150 nan 0.000 0.626 180 V N -3.560 116.354 119.914 -0.000 0.000 3.873 180 V HA -0.227 3.893 4.120 -0.000 0.000 0.549 180 V C 0.142 176.235 176.094 -0.002 0.000 0.709 180 V CA 0.968 63.267 62.300 -0.001 0.000 2.119 180 V CB -0.425 31.397 31.823 -0.001 0.000 2.498 180 V HN 0.879 nan 8.190 nan 0.000 0.523 181 Q N 2.978 122.776 119.800 -0.003 0.000 2.413 181 Q HA 0.408 4.748 4.340 -0.000 0.000 0.258 181 Q C -2.621 173.376 176.000 -0.005 0.000 1.037 181 Q CA -2.332 53.469 55.803 -0.004 0.000 0.764 181 Q CB 1.505 30.240 28.738 -0.004 0.000 1.217 181 Q HN 0.741 nan 8.270 nan 0.000 0.490 182 P HA -0.138 nan 4.420 nan 0.000 0.251 182 P C 0.452 177.747 177.300 -0.008 0.000 1.116 182 P CA 1.927 65.024 63.100 -0.006 0.000 0.776 182 P CB 0.001 31.697 31.700 -0.007 0.000 0.701 183 G N 3.444 112.239 108.800 -0.009 0.000 3.426 183 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.196 183 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.196 183 G C -0.232 174.662 174.900 -0.010 0.000 1.763 183 G CA -0.204 44.889 45.100 -0.011 0.000 1.210 183 G HN 0.483 nan 8.290 nan 0.000 0.472 184 D N 1.816 122.211 120.400 -0.008 0.000 6.160 184 D HA 0.162 4.802 4.640 -0.000 0.000 0.233 184 D C 1.223 177.518 176.300 -0.008 0.000 1.525 184 D CA 1.075 55.071 54.000 -0.007 0.000 0.966 184 D CB -0.541 40.256 40.800 -0.004 0.000 1.453 184 D HN 0.804 nan 8.370 nan 0.000 0.842 185 C N 4.372 123.665 119.300 -0.011 0.000 2.149 185 C HA -0.102 4.358 4.460 -0.000 0.000 0.391 185 C C -1.611 173.373 174.990 -0.010 0.000 1.484 185 C CA -1.362 57.648 59.018 -0.013 0.000 1.517 185 C CB -0.233 27.496 27.740 -0.019 0.000 2.605 185 C HN 0.488 nan 8.230 nan 0.000 0.561 186 P HA 0.227 nan 4.420 nan 0.000 0.266 186 P C -2.436 174.862 177.300 -0.002 0.000 1.195 186 P CA -0.400 62.701 63.100 0.001 0.000 0.768 186 P CB -0.065 31.640 31.700 0.009 0.000 0.838 187 P HA 0.127 nan 4.420 nan 0.000 0.276 187 P C -0.355 176.961 177.300 0.025 0.000 1.243 187 P CA 0.120 63.227 63.100 0.011 0.000 0.768 187 P CB 0.343 32.055 31.700 0.020 0.000 0.856 188 L N 3.077 124.308 121.223 0.014 0.000 2.454 188 L HA 0.513 4.853 4.340 -0.000 0.000 0.256 188 L C 0.570 177.540 176.870 0.167 0.000 1.136 188 L CA 0.059 54.934 54.840 0.058 0.000 0.804 188 L CB 0.396 42.388 42.059 -0.112 0.000 1.181 188 L HN 0.502 nan 8.230 nan 0.000 0.469 189 E N 1.041 121.432 120.200 0.318 0.000 2.647 189 E HA 0.116 4.466 4.350 -0.000 0.000 0.320 189 E C -1.590 175.082 176.600 0.121 0.000 0.951 189 E CA -0.716 55.836 56.400 0.254 0.000 0.809 189 E CB 1.648 31.403 29.700 0.092 0.000 1.295 189 E HN 0.347 nan 8.360 nan 0.000 0.407 190 L N 6.224 127.408 121.223 -0.066 0.000 2.597 190 L HA 0.248 4.588 4.340 -0.000 0.000 0.271 190 L C -0.993 175.648 176.870 -0.382 0.000 1.157 190 L CA 0.886 55.401 54.840 -0.542 0.000 0.928 190 L CB -0.152 41.486 42.059 -0.700 0.000 1.216 190 L HN 0.417 nan 8.230 nan 0.000 0.481 191 I N 5.529 125.796 120.570 -0.504 0.000 2.339 191 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 191 I C 0.061 176.018 176.117 -0.265 0.000 0.994 191 I CA -0.615 60.452 61.300 -0.388 0.000 1.191 191 I CB 0.914 38.652 38.000 -0.436 0.000 1.343 191 I HN 0.538 nan 8.210 nan 0.000 0.458 192 N N 3.874 122.488 118.700 -0.144 0.000 2.530 192 N HA 0.376 5.116 4.740 -0.000 0.000 0.277 192 N C -0.285 175.208 175.510 -0.027 0.000 1.168 192 N CA 0.093 53.087 53.050 -0.093 0.000 0.979 192 N CB 1.954 40.384 38.487 -0.094 0.000 1.141 192 N HN 0.610 nan 8.380 nan 0.000 0.459 193 T N -1.129 113.407 114.554 -0.030 0.000 2.840 193 T HA 0.241 4.591 4.350 -0.000 0.000 0.317 193 T C -1.137 173.514 174.700 -0.082 0.000 1.401 193 T CA -0.671 61.420 62.100 -0.016 0.000 1.028 193 T CB 0.713 69.607 68.868 0.044 0.000 1.317 193 T HN 0.059 nan 8.240 nan 0.000 0.495 194 V N 4.581 124.454 119.914 -0.068 0.000 2.450 194 V HA 0.229 4.349 4.120 -0.000 0.000 0.281 194 V C 0.827 176.844 176.094 -0.128 0.000 1.019 194 V CA 0.028 62.233 62.300 -0.159 0.000 1.062 194 V CB -0.370 31.245 31.823 -0.346 0.000 0.979 194 V HN 0.659 nan 8.190 nan 0.000 0.477 195 I N 5.928 126.375 120.570 -0.204 0.000 2.357 195 I HA 0.106 4.276 4.170 -0.000 0.000 0.300 195 I C 0.846 176.892 176.117 -0.118 0.000 1.159 195 I CA 0.168 61.294 61.300 -0.289 0.000 1.339 195 I CB -0.233 37.463 38.000 -0.507 0.000 1.458 195 I HN 0.718 nan 8.210 nan 0.000 0.577 196 Q N 3.624 123.416 119.800 -0.012 0.000 2.368 196 Q HA 0.103 4.443 4.340 -0.000 0.000 0.237 196 Q C -0.091 175.927 176.000 0.030 0.000 0.987 196 Q CA -0.588 55.273 55.803 0.096 0.000 0.896 196 Q CB 0.781 29.422 28.738 -0.162 0.000 1.241 196 Q HN 0.461 nan 8.270 nan 0.000 0.485 197 D N -0.489 119.970 120.400 0.098 0.000 2.472 197 D HA 0.154 4.794 4.640 -0.000 0.000 0.248 197 D C 0.707 176.999 176.300 -0.012 0.000 1.174 197 D CA 1.739 55.761 54.000 0.038 0.000 0.883 197 D CB -0.023 40.790 40.800 0.021 0.000 1.149 197 D HN 0.670 nan 8.370 nan 0.000 0.488 198 G N 3.023 111.841 108.800 0.030 0.000 2.179 198 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 198 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 198 G C 0.111 175.031 174.900 0.032 0.000 0.990 198 G CA -0.030 45.084 45.100 0.023 0.000 0.646 198 G HN 0.607 nan 8.290 nan 0.000 0.517 199 D N 0.591 121.002 120.400 0.019 0.000 2.371 199 D HA 0.509 5.149 4.640 -0.000 0.000 0.242 199 D C 1.034 177.401 176.300 0.113 0.000 1.218 199 D CA 0.094 54.088 54.000 -0.010 0.000 0.945 199 D CB 0.317 41.016 40.800 -0.168 0.000 1.137 199 D HN 0.010 nan 8.370 nan 0.000 0.464 200 M N 1.456 121.100 119.600 0.072 0.000 2.063 200 M HA 0.162 4.642 4.480 -0.000 0.000 0.348 200 M C 0.124 176.558 176.300 0.223 0.000 1.180 200 M CA -0.957 54.425 55.300 0.137 0.000 1.059 200 M CB 0.459 33.108 32.600 0.081 0.000 1.544 200 M HN 0.185 nan 8.290 nan 0.000 0.447 201 V N 0.360 120.463 119.914 0.315 0.000 3.840 201 V HA 0.027 4.147 4.120 -0.000 0.000 0.300 201 V C 0.477 176.677 176.094 0.177 0.000 1.124 201 V CA -0.334 62.150 62.300 0.306 0.000 1.229 201 V CB 0.142 31.979 31.823 0.023 0.000 1.114 201 V HN 0.791 nan 8.190 nan 0.000 0.491 202 D N 0.600 121.105 120.400 0.174 0.000 2.389 202 D HA 0.261 4.901 4.640 -0.000 0.000 0.247 202 D C 1.024 177.343 176.300 0.031 0.000 1.128 202 D CA 0.634 54.702 54.000 0.113 0.000 0.884 202 D CB 1.491 42.344 40.800 0.088 0.000 1.194 202 D HN 1.023 nan 8.370 nan 0.000 0.441 203 T N -0.030 114.514 114.554 -0.017 0.000 3.040 203 T HA 0.405 4.755 4.350 -0.000 0.000 0.266 203 T C 1.122 175.829 174.700 0.012 0.000 1.005 203 T CA 0.446 62.452 62.100 -0.156 0.000 0.906 203 T CB 0.396 68.768 68.868 -0.826 0.000 1.082 203 T HN 0.536 nan 8.240 nan 0.000 0.531 204 G N 0.628 109.436 108.800 0.014 0.000 2.425 204 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.177 204 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.177 204 G C 0.238 175.048 174.900 -0.150 0.000 0.999 204 G CA -0.340 44.703 45.100 -0.095 0.000 0.723 204 G HN 0.455 nan 8.290 nan 0.000 0.491 205 F N 2.103 122.165 119.950 0.188 0.000 2.639 205 F HA 0.472 4.999 4.527 -0.000 0.000 0.300 205 F C 1.607 177.578 175.800 0.286 0.000 1.109 205 F CA 0.805 58.955 58.000 0.250 0.000 1.335 205 F CB 0.874 40.037 39.000 0.272 0.000 1.014 205 F HN 0.649 nan 8.300 nan 0.000 0.537 206 G N 0.880 109.873 108.800 0.322 0.000 2.712 206 G HA2 0.136 4.096 3.960 -0.000 0.000 0.683 206 G HA3 0.136 4.096 3.960 -0.000 0.000 0.683 206 G C -1.026 174.004 174.900 0.217 0.000 1.320 206 G CA -0.748 44.501 45.100 0.248 0.000 0.847 206 G HN 0.520 nan 8.290 nan 0.000 0.553 207 A N 0.653 123.582 122.820 0.182 0.000 2.304 207 A HA 1.054 5.374 4.320 -0.000 0.000 0.323 207 A C 0.342 178.002 177.584 0.128 0.000 1.195 207 A CA 0.756 52.859 52.037 0.111 0.000 0.826 207 A CB 0.828 19.896 19.000 0.114 0.000 1.184 207 A HN 2.423 nan 8.150 nan 0.000 0.496 208 M N 0.487 120.039 119.600 -0.080 0.000 3.643 208 M HA 0.488 4.968 4.480 -0.000 0.000 0.321 208 M C -2.333 173.810 176.300 -0.262 0.000 1.394 208 M CA -0.724 54.550 55.300 -0.044 0.000 0.893 208 M CB 1.299 33.895 32.600 -0.006 0.000 1.901 208 M HN 0.459 nan 8.290 nan 0.000 0.513 209 D N 0.531 120.887 120.400 -0.073 0.000 2.471 209 D HA 0.509 5.149 4.640 -0.000 0.000 0.245 209 D C -0.327 175.941 176.300 -0.053 0.000 1.116 209 D CA -0.430 53.502 54.000 -0.112 0.000 0.853 209 D CB 0.692 41.528 40.800 0.059 0.000 1.123 209 D HN 0.568 nan 8.370 nan 0.000 0.540 210 F N 1.121 121.107 119.950 0.059 0.000 2.186 210 F HA -0.129 4.398 4.527 0.000 0.000 0.299 210 F C 2.360 178.172 175.800 0.019 0.000 1.090 210 F CA 0.681 58.698 58.000 0.029 0.000 1.307 210 F CB 0.054 39.067 39.000 0.021 0.000 1.019 210 F HN 0.318 nan 8.300 nan 0.000 0.489 211 T N -1.355 113.311 114.554 0.187 0.000 2.897 211 T HA -0.196 4.154 4.350 -0.000 0.000 0.271 211 T C 1.849 176.601 174.700 0.087 0.000 1.084 211 T CA 1.882 64.049 62.100 0.113 0.000 1.123 211 T CB -0.491 68.420 68.868 0.073 0.000 0.865 211 T HN 0.450 nan 8.240 nan 0.000 0.496 212 T N -1.827 112.782 114.554 0.093 0.000 2.975 212 T HA 0.296 4.646 4.350 -0.000 0.000 0.261 212 T C 1.490 176.234 174.700 0.073 0.000 0.984 212 T CA -0.370 61.772 62.100 0.069 0.000 0.911 212 T CB 0.037 68.941 68.868 0.060 0.000 1.127 212 T HN 0.117 nan 8.240 nan 0.000 0.514 213 L N 0.603 121.889 121.223 0.105 0.000 2.477 213 L HA 0.414 4.754 4.340 -0.000 0.000 0.220 213 L C 0.530 177.438 176.870 0.063 0.000 1.106 213 L CA 0.852 55.744 54.840 0.087 0.000 0.851 213 L CB -0.357 41.773 42.059 0.118 0.000 0.994 213 L HN 0.473 nan 8.230 nan 0.000 0.462 214 Q N -0.725 119.122 119.800 0.078 0.000 2.401 214 Q HA 0.368 4.708 4.340 -0.000 0.000 0.260 214 Q C 0.707 176.714 176.000 0.011 0.000 1.034 214 Q CA -0.136 55.680 55.803 0.021 0.000 0.737 214 Q CB 1.923 30.666 28.738 0.009 0.000 1.227 214 Q HN 0.094 nan 8.270 nan 0.000 0.488 215 A N 2.798 125.614 122.820 -0.007 0.000 2.014 215 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 215 A C 1.803 179.371 177.584 -0.026 0.000 1.163 215 A CA 1.290 53.322 52.037 -0.009 0.000 0.652 215 A CB -0.241 18.751 19.000 -0.013 0.000 0.808 215 A HN 0.762 nan 8.150 nan 0.000 0.449 216 N N 0.110 118.779 118.700 -0.052 0.000 2.091 216 N HA -0.274 4.466 4.740 -0.000 0.000 0.193 216 N C 0.929 176.397 175.510 -0.071 0.000 1.021 216 N CA 2.051 55.053 53.050 -0.079 0.000 0.862 216 N CB -0.273 38.139 38.487 -0.126 0.000 1.018 216 N HN 0.527 nan 8.380 nan 0.000 0.429 217 K N -1.492 118.876 120.400 -0.052 0.000 3.446 217 K HA -0.159 4.161 4.320 -0.000 0.000 0.312 217 K C -1.208 175.393 176.600 0.001 0.000 1.329 217 K CA 1.068 57.352 56.287 -0.006 0.000 0.935 217 K CB -1.653 30.857 32.500 0.017 0.000 1.281 217 K HN 0.401 nan 8.250 nan 0.000 0.457 218 S N -0.791 114.818 115.700 -0.151 0.000 2.849 218 S HA 0.194 4.664 4.470 -0.000 0.000 0.141 218 S C -0.302 174.036 174.600 -0.437 0.000 1.109 218 S CA -0.894 57.061 58.200 -0.409 0.000 1.106 218 S CB 0.711 63.529 63.200 -0.637 0.000 1.637 218 S HN 0.301 nan 8.310 nan 0.000 0.457 219 E N 0.755 120.709 120.200 -0.410 0.000 2.601 219 E HA 0.245 4.595 4.350 -0.000 0.000 0.219 219 E C 0.166 176.369 176.600 -0.662 0.000 0.964 219 E CA 0.176 56.245 56.400 -0.552 0.000 1.050 219 E CB 1.538 30.904 29.700 -0.556 0.000 1.068 219 E HN 0.624 nan 8.360 nan 0.000 0.496 220 V N -1.850 117.780 119.914 -0.473 0.000 3.087 220 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 220 V C -2.976 173.157 176.094 0.066 0.000 1.187 220 V CA -3.065 59.027 62.300 -0.347 0.000 0.999 220 V CB 1.515 32.925 31.823 -0.689 0.000 1.049 220 V HN -0.237 nan 8.190 nan 0.000 0.431 221 P HA -0.015 nan 4.420 nan 0.000 0.267 221 P C 0.856 178.363 177.300 0.345 0.000 1.175 221 P CA 0.284 63.606 63.100 0.370 0.000 0.763 221 P CB 0.342 32.358 31.700 0.527 0.000 0.795 222 L N 3.022 124.407 121.223 0.271 0.000 2.089 222 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 222 L C 1.849 178.933 176.870 0.357 0.000 1.079 222 L CA 2.343 57.296 54.840 0.188 0.000 0.758 222 L CB -1.369 40.731 42.059 0.068 0.000 0.891 222 L HN 0.515 nan 8.230 nan 0.000 0.433 223 D N -0.960 119.736 120.400 0.493 0.000 2.144 223 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 223 D C 1.854 178.331 176.300 0.295 0.000 0.984 223 D CA 1.960 56.191 54.000 0.386 0.000 0.834 223 D CB -0.503 40.486 40.800 0.316 0.000 0.955 223 D HN 0.543 nan 8.370 nan 0.000 0.465 224 I N -0.531 120.226 120.570 0.312 0.000 3.081 224 I HA 0.050 4.220 4.170 -0.000 0.000 0.274 224 I C 2.269 178.607 176.117 0.368 0.000 1.178 224 I CA 0.133 61.635 61.300 0.336 0.000 1.460 224 I CB -0.725 37.513 38.000 0.396 0.000 1.137 224 I HN 0.154 nan 8.210 nan 0.000 0.443 225 C N 1.427 120.852 119.300 0.208 0.000 2.391 225 C HA -0.200 4.260 4.460 -0.000 0.000 0.276 225 C C 2.628 177.739 174.990 0.201 0.000 1.191 225 C CA 1.550 60.645 59.018 0.128 0.000 1.808 225 C CB -2.513 25.307 27.740 0.134 0.000 2.095 225 C HN 0.706 nan 8.230 nan 0.000 0.478 226 T N -2.064 112.602 114.554 0.187 0.000 3.188 226 T HA 0.381 4.731 4.350 -0.000 0.000 0.250 226 T C 0.443 175.226 174.700 0.138 0.000 1.077 226 T CA 0.329 62.514 62.100 0.142 0.000 0.967 226 T CB -0.179 68.755 68.868 0.111 0.000 1.006 226 T HN 0.640 nan 8.240 nan 0.000 0.552 227 S N 0.576 116.391 115.700 0.192 0.000 2.841 227 S HA 0.803 5.273 4.470 -0.000 0.000 0.318 227 S C -1.095 173.507 174.600 0.002 0.000 1.127 227 S CA -0.928 57.335 58.200 0.105 0.000 0.883 227 S CB 0.947 64.220 63.200 0.123 0.000 1.271 227 S HN 0.225 nan 8.310 nan 0.000 0.567 228 I N 0.690 121.200 120.570 -0.099 0.000 2.465 228 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 228 I C -0.952 175.028 176.117 -0.227 0.000 1.014 228 I CA -0.269 60.877 61.300 -0.258 0.000 1.093 228 I CB 1.196 38.991 38.000 -0.342 0.000 1.267 228 I HN 0.491 nan 8.210 nan 0.000 0.431 229 C N 5.596 124.720 119.300 -0.294 0.000 2.239 229 C HA 0.444 4.904 4.460 -0.000 0.000 0.325 229 C C 0.309 175.257 174.990 -0.071 0.000 1.231 229 C CA -0.735 58.211 59.018 -0.120 0.000 1.652 229 C CB -0.570 27.096 27.740 -0.125 0.000 2.284 229 C HN 0.617 nan 8.230 nan 0.000 0.499 230 K N 2.898 123.289 120.400 -0.016 0.000 2.307 230 K HA 0.382 4.702 4.320 -0.000 0.000 0.263 230 K C -1.298 175.400 176.600 0.163 0.000 0.973 230 K CA -0.469 55.796 56.287 -0.036 0.000 0.846 230 K CB 1.754 34.098 32.500 -0.259 0.000 1.100 230 K HN 0.624 nan 8.250 nan 0.000 0.438 231 Y N 4.539 124.836 120.300 -0.004 0.000 2.335 231 Y HA 0.318 4.868 4.550 0.000 0.000 0.338 231 Y C -2.506 173.312 175.900 -0.137 0.000 0.977 231 Y CA -2.711 55.398 58.100 0.015 0.000 1.114 231 Y CB 1.326 39.778 38.460 -0.013 0.000 1.182 231 Y HN 0.451 nan 8.280 nan 0.000 0.463 232 P HA -0.036 nan 4.420 nan 0.000 0.263 232 P C -0.590 176.086 177.300 -1.041 0.000 1.195 232 P CA 0.393 62.983 63.100 -0.850 0.000 0.762 232 P CB 0.499 31.557 31.700 -1.070 0.000 0.799 233 D N 2.948 122.996 120.400 -0.586 0.000 2.801 233 D HA 0.026 4.666 4.640 -0.000 0.000 0.232 233 D C 0.885 176.971 176.300 -0.358 0.000 1.128 233 D CA -0.018 53.750 54.000 -0.386 0.000 1.003 233 D CB -0.686 39.980 40.800 -0.224 0.000 1.110 233 D HN 0.338 nan 8.370 nan 0.000 0.477 234 Y N 1.072 121.204 120.300 -0.281 0.000 1.930 234 Y HA -0.386 4.164 4.550 -0.000 0.000 0.241 234 Y C 2.445 178.237 175.900 -0.180 0.000 1.104 234 Y CA 0.312 58.221 58.100 -0.319 0.000 1.060 234 Y CB -0.285 37.970 38.460 -0.342 0.000 0.932 234 Y HN 0.185 nan 8.280 nan 0.000 0.496 235 I N 0.326 120.938 120.570 0.069 0.000 2.317 235 I HA -0.478 3.692 4.170 -0.000 0.000 0.244 235 I C 2.199 178.317 176.117 0.002 0.000 0.986 235 I CA 2.164 63.486 61.300 0.035 0.000 1.286 235 I CB -1.393 36.626 38.000 0.033 0.000 0.983 235 I HN 0.389 nan 8.210 nan 0.000 0.422 236 K N -0.314 120.063 120.400 -0.037 0.000 2.228 236 K HA -0.009 4.311 4.320 -0.000 0.000 0.202 236 K C 2.186 178.762 176.600 -0.039 0.000 1.051 236 K CA 0.620 56.882 56.287 -0.042 0.000 0.960 236 K CB 0.114 32.574 32.500 -0.067 0.000 0.743 236 K HN 0.274 nan 8.250 nan 0.000 0.458 237 M N 0.025 119.588 119.600 -0.063 0.000 2.288 237 M HA -0.090 4.390 4.480 -0.000 0.000 0.266 237 M C 1.957 178.255 176.300 -0.003 0.000 1.072 237 M CA 0.788 56.057 55.300 -0.052 0.000 1.132 237 M CB 0.222 32.760 32.600 -0.104 0.000 1.386 237 M HN -0.035 nan 8.290 nan 0.000 0.432 238 V N -0.442 119.475 119.914 0.006 0.000 2.407 238 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 238 V C 2.078 178.211 176.094 0.065 0.000 1.041 238 V CA 1.631 63.962 62.300 0.051 0.000 1.040 238 V CB -0.275 31.583 31.823 0.058 0.000 0.671 238 V HN 0.380 nan 8.190 nan 0.000 0.455 239 S N -0.519 115.208 115.700 0.044 0.000 2.603 239 S HA -0.033 4.437 4.470 -0.000 0.000 0.229 239 S C 0.800 175.427 174.600 0.044 0.000 0.972 239 S CA 0.050 58.277 58.200 0.045 0.000 0.935 239 S CB -0.406 62.811 63.200 0.028 0.000 0.769 239 S HN 0.709 nan 8.310 nan 0.000 0.536 240 E N 3.336 123.566 120.200 0.049 0.000 2.529 240 E HA -0.022 4.328 4.350 -0.000 0.000 0.259 240 E C -1.015 175.633 176.600 0.079 0.000 0.966 240 E CA -1.036 55.402 56.400 0.063 0.000 0.937 240 E CB 0.486 30.228 29.700 0.069 0.000 0.923 240 E HN 0.088 nan 8.360 nan 0.000 0.468 241 P HA -0.175 nan 4.420 nan 0.000 0.208 241 P C 0.804 178.072 177.300 -0.054 0.000 1.203 241 P CA 1.314 64.369 63.100 -0.074 0.000 0.920 241 P CB -0.307 31.253 31.700 -0.235 0.000 0.769 242 Y N 0.486 120.814 120.300 0.046 0.000 2.348 242 Y HA -0.046 4.504 4.550 -0.000 0.000 0.285 242 Y C 1.883 177.921 175.900 0.230 0.000 1.173 242 Y CA 1.311 59.476 58.100 0.109 0.000 1.263 242 Y CB -1.362 37.144 38.460 0.076 0.000 0.974 242 Y HN 0.188 nan 8.280 nan 0.000 0.547 243 G N 0.454 109.443 108.800 0.315 0.000 2.323 243 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.292 243 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.292 243 G C 0.334 175.390 174.900 0.259 0.000 1.040 243 G CA 0.683 45.950 45.100 0.277 0.000 0.942 243 G HN 0.431 nan 8.290 nan 0.000 0.506 244 D N -0.327 120.205 120.400 0.220 0.000 2.271 244 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 244 D C 2.520 178.815 176.300 -0.009 0.000 0.967 244 D CA 1.115 55.221 54.000 0.176 0.000 0.867 244 D CB 0.106 41.014 40.800 0.180 0.000 0.960 244 D HN 0.393 nan 8.370 nan 0.000 0.509 245 S N 0.238 115.931 115.700 -0.012 0.000 2.380 245 S HA -0.070 4.400 4.470 -0.000 0.000 0.217 245 S C 0.993 175.474 174.600 -0.199 0.000 1.036 245 S CA 0.880 59.033 58.200 -0.078 0.000 1.050 245 S CB -0.353 62.816 63.200 -0.052 0.000 1.016 245 S HN 0.361 nan 8.310 nan 0.000 0.419 246 L N -1.705 119.413 121.223 -0.175 0.000 2.409 246 L HA 0.683 5.023 4.340 -0.000 0.000 0.262 246 L C -0.307 176.527 176.870 -0.060 0.000 0.992 246 L CA -0.972 53.723 54.840 -0.242 0.000 0.817 246 L CB 1.554 43.574 42.059 -0.065 0.000 1.350 246 L HN 0.277 nan 8.230 nan 0.000 0.411 247 F N 0.169 120.241 119.950 0.203 0.000 2.778 247 F HA 0.496 5.023 4.527 -0.000 0.000 0.314 247 F C -0.108 175.864 175.800 0.286 0.000 1.073 247 F CA -0.905 57.225 58.000 0.216 0.000 1.218 247 F CB -0.076 39.031 39.000 0.178 0.000 1.037 247 F HN 0.310 nan 8.300 nan 0.000 0.594 248 F N 3.091 123.398 119.950 0.595 0.000 2.499 248 F HA 0.615 5.142 4.527 0.000 0.000 0.333 248 F C -1.222 174.721 175.800 0.238 0.000 1.138 248 F CA -2.114 56.057 58.000 0.285 0.000 0.945 248 F CB 1.231 40.352 39.000 0.203 0.000 1.181 248 F HN 0.094 nan 8.300 nan 0.000 0.435 249 Y N 5.210 125.113 120.300 -0.662 0.000 2.581 249 Y HA 0.786 5.336 4.550 -0.000 0.000 0.337 249 Y C -2.472 172.984 175.900 -0.740 0.000 1.108 249 Y CA -1.955 55.717 58.100 -0.713 0.000 1.033 249 Y CB 1.282 39.558 38.460 -0.307 0.000 1.318 249 Y HN 0.408 nan 8.280 nan 0.000 0.459 250 L N 2.185 123.019 121.223 -0.649 0.000 2.470 250 L HA 0.712 5.052 4.340 -0.000 0.000 0.268 250 L C -0.621 176.112 176.870 -0.228 0.000 0.964 250 L CA -1.702 52.822 54.840 -0.527 0.000 0.839 250 L CB 1.740 43.489 42.059 -0.516 0.000 1.276 250 L HN 0.898 nan 8.230 nan 0.000 0.403 251 R N 0.998 121.419 120.500 -0.132 0.000 2.758 251 R HA 0.973 5.313 4.340 -0.000 0.000 0.265 251 R C -0.634 175.650 176.300 -0.027 0.000 1.016 251 R CA -0.956 55.140 56.100 -0.007 0.000 1.040 251 R CB 1.915 32.244 30.300 0.048 0.000 1.152 251 R HN 0.621 nan 8.270 nan 0.000 0.503 252 R N 0.786 121.306 120.500 0.034 0.000 3.009 252 R HA 0.114 4.454 4.340 -0.000 0.000 0.278 252 R C -1.845 174.495 176.300 0.066 0.000 1.515 252 R CA -0.219 55.896 56.100 0.025 0.000 1.055 252 R CB 1.044 31.339 30.300 -0.008 0.000 1.345 252 R HN 0.968 nan 8.270 nan 0.000 0.421 253 E N 3.176 123.425 120.200 0.081 0.000 2.288 253 E HA 0.512 4.862 4.350 -0.000 0.000 0.268 253 E C -1.298 175.344 176.600 0.071 0.000 0.885 253 E CA -1.060 55.395 56.400 0.092 0.000 0.767 253 E CB 2.486 32.264 29.700 0.130 0.000 1.220 253 E HN 0.516 nan 8.360 nan 0.000 0.427 254 Q N 2.620 122.462 119.800 0.070 0.000 2.435 254 Q HA 0.645 4.985 4.340 -0.000 0.000 0.282 254 Q C -1.111 174.939 176.000 0.082 0.000 1.020 254 Q CA -1.101 54.744 55.803 0.070 0.000 0.820 254 Q CB 2.430 31.206 28.738 0.063 0.000 1.436 254 Q HN 0.617 nan 8.270 nan 0.000 0.395 255 M N 1.947 121.607 119.600 0.099 0.000 3.012 255 M HA 0.724 5.204 4.480 -0.000 0.000 0.272 255 M C -2.199 174.218 176.300 0.194 0.000 1.187 255 M CA -0.536 54.824 55.300 0.101 0.000 0.813 255 M CB 2.364 34.980 32.600 0.028 0.000 1.626 255 M HN 1.081 nan 8.290 nan 0.000 0.507 256 F N 0.439 120.361 119.950 -0.046 0.000 2.765 256 F HA 0.564 5.091 4.527 -0.000 0.000 0.313 256 F C -1.953 173.795 175.800 -0.087 0.000 1.136 256 F CA -0.963 57.001 58.000 -0.060 0.000 0.952 256 F CB 0.375 39.342 39.000 -0.055 0.000 1.268 256 F HN 0.370 nan 8.300 nan 0.000 0.441 257 V N 2.979 122.850 119.914 -0.073 0.000 2.372 257 V HA 0.443 4.563 4.120 -0.000 0.000 0.261 257 V C 0.938 176.847 176.094 -0.308 0.000 1.055 257 V CA -0.132 62.049 62.300 -0.198 0.000 0.930 257 V CB 0.567 32.355 31.823 -0.057 0.000 1.031 257 V HN 1.043 nan 8.190 nan 0.000 0.479 258 R N 3.004 123.200 120.500 -0.506 0.000 2.100 258 R HA 0.189 4.529 4.340 -0.000 0.000 0.220 258 R C 0.443 176.424 176.300 -0.531 0.000 1.091 258 R CA 1.282 57.082 56.100 -0.500 0.000 0.986 258 R CB -0.043 29.988 30.300 -0.447 0.000 0.888 258 R HN 0.899 nan 8.270 nan 0.000 0.444 259 H N -2.603 116.251 119.070 -0.361 0.000 2.990 259 H HA 0.502 5.058 4.556 -0.000 0.000 0.336 259 H C -1.791 173.179 175.328 -0.597 0.000 1.306 259 H CA -0.853 54.911 56.048 -0.473 0.000 1.118 259 H CB 1.538 30.884 29.762 -0.692 0.000 1.856 259 H HN -0.102 nan 8.280 nan 0.000 0.538 260 L N 2.091 123.069 121.223 -0.409 0.000 2.406 260 L HA 0.433 4.773 4.340 -0.000 0.000 0.270 260 L C -1.193 175.599 176.870 -0.129 0.000 0.982 260 L CA -0.101 54.553 54.840 -0.310 0.000 0.843 260 L CB 0.719 42.707 42.059 -0.118 0.000 1.225 260 L HN 0.425 nan 8.230 nan 0.000 0.412 261 F N 0.652 120.396 119.950 -0.343 0.000 2.618 261 F HA 0.528 5.055 4.527 -0.000 0.000 0.332 261 F C 0.188 175.933 175.800 -0.093 0.000 1.061 261 F CA -1.090 56.697 58.000 -0.355 0.000 0.974 261 F CB 2.348 40.858 39.000 -0.816 0.000 1.310 261 F HN 0.473 nan 8.300 nan 0.000 0.491 262 N N 0.391 119.264 118.700 0.289 0.000 2.296 262 N HA 0.273 5.013 4.740 -0.000 0.000 0.294 262 N C -1.300 174.387 175.510 0.294 0.000 1.033 262 N CA -0.833 52.353 53.050 0.227 0.000 0.839 262 N CB 1.160 39.696 38.487 0.081 0.000 1.395 262 N HN 0.390 nan 8.380 nan 0.000 0.479 263 R N 1.985 122.610 120.500 0.209 0.000 2.248 263 R HA 0.317 4.657 4.340 -0.000 0.000 0.328 263 R C -0.240 176.051 176.300 -0.015 0.000 1.067 263 R CA -0.270 55.860 56.100 0.050 0.000 0.924 263 R CB 0.726 30.996 30.300 -0.050 0.000 1.013 263 R HN 0.568 nan 8.270 nan 0.000 0.454 264 A N 1.698 124.498 122.820 -0.033 0.000 2.313 264 A HA 0.671 4.991 4.320 -0.000 0.000 0.261 264 A C 0.678 178.226 177.584 -0.060 0.000 1.090 264 A CA 0.577 52.587 52.037 -0.044 0.000 0.807 264 A CB 0.396 19.365 19.000 -0.051 0.000 1.055 264 A HN 0.843 nan 8.150 nan 0.000 0.492 265 G N -0.765 108.005 108.800 -0.050 0.000 2.498 265 G HA2 0.359 4.319 3.960 -0.000 0.000 0.651 265 G HA3 0.359 4.319 3.960 -0.000 0.000 0.651 265 G C -0.039 174.835 174.900 -0.042 0.000 1.284 265 G CA 0.047 45.117 45.100 -0.050 0.000 0.950 265 G HN 2.175 nan 8.290 nan 0.000 0.511 266 T N -1.727 112.804 114.554 -0.039 0.000 2.919 266 T HA 0.490 4.840 4.350 -0.000 0.000 0.302 266 T C 0.705 175.386 174.700 -0.031 0.000 1.031 266 T CA 0.020 62.102 62.100 -0.031 0.000 1.127 266 T CB 1.379 70.231 68.868 -0.028 0.000 0.952 266 T HN 1.536 nan 8.240 nan 0.000 0.540 267 V N 4.302 124.201 119.914 -0.025 0.000 2.450 267 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 267 V C 1.686 177.768 176.094 -0.019 0.000 1.019 267 V CA 0.586 62.872 62.300 -0.023 0.000 1.062 267 V CB 0.158 31.972 31.823 -0.016 0.000 0.979 267 V HN 1.210 nan 8.190 nan 0.000 0.477 268 G N 4.567 113.354 108.800 -0.021 0.000 2.453 268 G HA2 0.047 4.007 3.960 -0.000 0.000 0.215 268 G HA3 0.047 4.007 3.960 -0.000 0.000 0.215 268 G C 0.424 175.318 174.900 -0.010 0.000 1.147 268 G CA 0.023 45.113 45.100 -0.017 0.000 0.802 268 G HN 0.670 nan 8.290 nan 0.000 0.535 269 E N 0.015 120.211 120.200 -0.007 0.000 2.266 269 E HA 0.368 4.718 4.350 -0.000 0.000 0.268 269 E C -1.431 175.174 176.600 0.008 0.000 0.879 269 E CA -0.735 55.666 56.400 0.002 0.000 0.762 269 E CB 1.737 31.438 29.700 0.002 0.000 1.199 269 E HN 0.023 nan 8.360 nan 0.000 0.422 270 N N 0.265 118.977 118.700 0.019 0.000 2.509 270 N HA 0.225 4.965 4.740 -0.000 0.000 0.287 270 N C -0.977 174.565 175.510 0.053 0.000 1.121 270 N CA -0.427 52.642 53.050 0.032 0.000 0.977 270 N CB 1.278 39.789 38.487 0.040 0.000 1.167 270 N HN 0.117 nan 8.380 nan 0.000 0.476 271 V N 3.444 123.396 119.914 0.065 0.000 2.521 271 V HA 0.171 4.291 4.120 -0.000 0.000 0.286 271 V C -1.886 174.331 176.094 0.205 0.000 1.034 271 V CA -1.121 61.248 62.300 0.115 0.000 1.045 271 V CB 0.459 32.330 31.823 0.081 0.000 0.974 271 V HN 0.663 nan 8.190 nan 0.000 0.480 272 P HA 0.098 nan 4.420 nan 0.000 0.268 272 P C 0.064 177.450 177.300 0.143 0.000 1.204 272 P CA -0.235 62.941 63.100 0.126 0.000 0.768 272 P CB 0.365 32.111 31.700 0.077 0.000 0.842 273 D N 0.940 121.347 120.400 0.012 0.000 2.358 273 D HA -0.115 4.525 4.640 -0.000 0.000 0.241 273 D C 0.247 176.324 176.300 -0.372 0.000 1.094 273 D CA 0.595 54.422 54.000 -0.288 0.000 0.907 273 D CB -0.576 40.120 40.800 -0.174 0.000 0.893 273 D HN 0.387 nan 8.370 nan 0.000 0.528 274 D N -0.308 119.978 120.400 -0.190 0.000 2.500 274 D HA 0.003 4.643 4.640 -0.000 0.000 0.217 274 D C 1.609 177.859 176.300 -0.083 0.000 1.159 274 D CA -0.242 53.674 54.000 -0.141 0.000 0.828 274 D CB -0.220 40.542 40.800 -0.063 0.000 1.039 274 D HN 0.249 nan 8.370 nan 0.000 0.512 275 L N 0.114 121.332 121.223 -0.008 0.000 2.599 275 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 275 L C 0.365 177.375 176.870 0.232 0.000 1.141 275 L CA 0.386 55.310 54.840 0.139 0.000 0.877 275 L CB -0.572 41.630 42.059 0.240 0.000 1.009 275 L HN 0.152 nan 8.230 nan 0.000 0.447 276 Y N -2.099 118.218 120.300 0.030 0.000 2.963 276 Y HA 0.661 5.211 4.550 -0.000 0.000 0.322 276 Y C -1.151 174.764 175.900 0.025 0.000 1.553 276 Y CA -1.881 56.238 58.100 0.032 0.000 1.098 276 Y CB 0.913 39.399 38.460 0.044 0.000 2.098 276 Y HN -0.259 nan 8.280 nan 0.000 0.413 277 I N 0.997 121.667 120.570 0.166 0.000 2.769 277 I HA 0.390 4.560 4.170 -0.000 0.000 0.298 277 I C -0.837 175.422 176.117 0.237 0.000 1.128 277 I CA -1.510 59.822 61.300 0.052 0.000 1.031 277 I CB 2.059 40.095 38.000 0.060 0.000 1.235 277 I HN 0.442 nan 8.210 nan 0.000 0.423 278 K N 2.208 122.685 120.400 0.129 0.000 2.397 278 K HA 0.250 4.570 4.320 -0.000 0.000 0.265 278 K C 0.394 177.055 176.600 0.101 0.000 0.982 278 K CA 0.174 56.552 56.287 0.151 0.000 0.931 278 K CB 0.939 33.478 32.500 0.065 0.000 0.943 278 K HN 0.948 nan 8.250 nan 0.000 0.501 279 G N -0.183 108.651 108.800 0.057 0.000 3.099 279 G HA2 0.321 4.281 3.960 -0.000 0.000 0.151 279 G HA3 0.321 4.281 3.960 -0.000 0.000 0.151 279 G C -0.901 173.990 174.900 -0.015 0.000 1.265 279 G CA -0.277 44.830 45.100 0.011 0.000 0.981 279 G HN 0.527 nan 8.290 nan 0.000 0.601 280 S N -1.141 114.536 115.700 -0.039 0.000 2.733 280 S HA 0.569 5.039 4.470 -0.000 0.000 0.294 280 S C 0.734 175.297 174.600 -0.062 0.000 1.149 280 S CA 0.686 58.865 58.200 -0.035 0.000 1.034 280 S CB 1.000 64.190 63.200 -0.018 0.000 1.015 280 S HN 2.456 nan 8.310 nan 0.000 0.486 281 G N 4.720 113.483 108.800 -0.061 0.000 2.646 281 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.324 281 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.324 281 G C 1.401 176.230 174.900 -0.117 0.000 1.195 281 G CA 1.906 46.967 45.100 -0.065 0.000 0.976 281 G HN 2.025 nan 8.290 nan 0.000 0.546 282 S N -0.227 115.399 115.700 -0.122 0.000 2.389 282 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 282 S C 2.353 176.693 174.600 -0.434 0.000 1.048 282 S CA 3.934 62.024 58.200 -0.183 0.000 1.117 282 S CB -1.559 61.595 63.200 -0.077 0.000 1.020 282 S HN 2.130 nan 8.310 nan 0.000 0.430 283 T N -0.951 113.383 114.554 -0.368 0.000 3.148 283 T HA 0.547 4.897 4.350 -0.000 0.000 0.253 283 T C 1.290 175.794 174.700 -0.326 0.000 1.134 283 T CA 0.404 62.186 62.100 -0.530 0.000 1.051 283 T CB -0.140 68.621 68.868 -0.178 0.000 0.959 283 T HN 0.564 nan 8.240 nan 0.000 0.525 284 A N 1.054 123.742 122.820 -0.220 0.000 2.307 284 A HA 0.395 4.715 4.320 -0.000 0.000 0.218 284 A C 0.790 178.303 177.584 -0.119 0.000 1.228 284 A CA -0.405 51.561 52.037 -0.118 0.000 0.857 284 A CB -0.315 18.645 19.000 -0.068 0.000 0.897 284 A HN 0.407 nan 8.150 nan 0.000 0.495 285 N N 0.313 118.892 118.700 -0.201 0.000 2.727 285 N HA 0.375 5.115 4.740 -0.000 0.000 0.252 285 N C -1.153 174.266 175.510 -0.152 0.000 1.283 285 N CA -0.522 52.444 53.050 -0.140 0.000 0.782 285 N CB 0.227 38.650 38.487 -0.108 0.000 1.199 285 N HN 0.030 nan 8.380 nan 0.000 0.520 286 L N 1.395 122.559 121.223 -0.098 0.000 2.837 286 L HA -0.054 4.286 4.340 -0.000 0.000 0.300 286 L C 0.764 177.669 176.870 0.058 0.000 1.211 286 L CA 0.627 55.461 54.840 -0.012 0.000 0.890 286 L CB -0.630 41.375 42.059 -0.090 0.000 1.200 286 L HN 0.518 nan 8.230 nan 0.000 0.492 287 A N 3.361 126.293 122.820 0.187 0.000 2.303 287 A HA 0.490 4.810 4.320 -0.000 0.000 0.317 287 A C 0.522 178.114 177.584 0.013 0.000 1.149 287 A CA -0.378 51.739 52.037 0.134 0.000 0.822 287 A CB 0.715 19.821 19.000 0.177 0.000 1.131 287 A HN 0.723 nan 8.150 nan 0.000 0.493 288 S N 1.153 116.838 115.700 -0.024 0.000 3.897 288 S HA -0.088 4.382 4.470 -0.000 0.000 0.466 288 S C 1.290 175.774 174.600 -0.194 0.000 1.095 288 S CA 0.803 58.953 58.200 -0.083 0.000 1.179 288 S CB -0.233 62.928 63.200 -0.065 0.000 0.777 288 S HN 1.103 nan 8.310 nan 0.000 0.521 289 S N 3.990 119.561 115.700 -0.214 0.000 2.593 289 S HA 0.138 4.608 4.470 -0.000 0.000 0.217 289 S C 0.616 174.916 174.600 -0.501 0.000 0.966 289 S CA -0.268 57.723 58.200 -0.348 0.000 0.914 289 S CB -0.432 62.690 63.200 -0.130 0.000 0.776 289 S HN 0.849 nan 8.310 nan 0.000 0.523 290 N N 2.400 120.915 118.700 -0.310 0.000 2.971 290 N HA 0.090 4.830 4.740 -0.000 0.000 0.294 290 N C -0.941 174.500 175.510 -0.115 0.000 1.210 290 N CA -0.181 52.763 53.050 -0.177 0.000 1.157 290 N CB 0.084 38.529 38.487 -0.070 0.000 1.450 290 N HN 0.414 nan 8.380 nan 0.000 0.527 291 Y N 1.155 121.536 120.300 0.135 0.000 2.335 291 Y HA 0.243 4.793 4.550 -0.000 0.000 0.348 291 Y C 0.362 176.445 175.900 0.304 0.000 1.280 291 Y CA -0.615 57.592 58.100 0.179 0.000 1.504 291 Y CB 0.213 38.727 38.460 0.089 0.000 1.366 291 Y HN 0.237 nan 8.280 nan 0.000 0.621 292 F N -0.388 119.711 119.950 0.248 0.000 2.669 292 F HA 0.731 5.258 4.527 -0.000 0.000 0.315 292 F C -3.721 172.213 175.800 0.223 0.000 1.109 292 F CA -2.435 55.703 58.000 0.230 0.000 1.028 292 F CB 1.776 40.891 39.000 0.191 0.000 1.287 292 F HN 0.198 nan 8.300 nan 0.000 0.452 293 P HA 0.456 nan 4.420 nan 0.000 0.302 293 P C -1.377 175.874 177.300 -0.083 0.000 1.364 293 P CA -0.538 62.471 63.100 -0.153 0.000 1.045 293 P CB 2.515 34.165 31.700 -0.084 0.000 1.368 294 T N -0.718 113.681 114.554 -0.258 0.000 2.875 294 T HA 0.560 4.910 4.350 -0.000 0.000 0.284 294 T C -2.205 172.304 174.700 -0.318 0.000 0.995 294 T CA -2.102 59.880 62.100 -0.196 0.000 1.060 294 T CB 0.978 69.762 68.868 -0.139 0.000 0.967 294 T HN 0.295 nan 8.240 nan 0.000 0.476 295 P HA 0.425 nan 4.420 nan 0.000 0.284 295 P C -0.724 176.348 177.300 -0.380 0.000 1.292 295 P CA -0.752 62.134 63.100 -0.356 0.000 0.800 295 P CB 1.281 32.804 31.700 -0.295 0.000 1.188 296 S N -0.700 114.750 115.700 -0.418 0.000 2.387 296 S HA 0.426 4.896 4.470 -0.000 0.000 0.211 296 S C -0.044 174.467 174.600 -0.148 0.000 1.055 296 S CA -0.608 57.333 58.200 -0.431 0.000 1.133 296 S CB -0.954 61.538 63.200 -1.179 0.000 1.235 296 S HN 0.643 nan 8.310 nan 0.000 0.425 297 G N 3.272 112.053 108.800 -0.032 0.000 2.369 297 G HA2 0.279 4.239 3.960 -0.000 0.000 0.287 297 G HA3 0.279 4.239 3.960 -0.000 0.000 0.287 297 G C 0.568 175.518 174.900 0.083 0.000 1.009 297 G CA 0.454 45.586 45.100 0.053 0.000 1.393 297 G HN 0.822 nan 8.290 nan 0.000 0.432 298 S N 3.160 118.962 115.700 0.169 0.000 2.680 298 S HA 0.116 4.586 4.470 -0.000 0.000 0.249 298 S C 1.202 175.859 174.600 0.095 0.000 1.358 298 S CA -0.554 57.759 58.200 0.189 0.000 0.963 298 S CB 0.165 63.491 63.200 0.209 0.000 0.984 298 S HN 0.635 nan 8.310 nan 0.000 0.584 299 M N 2.624 122.266 119.600 0.069 0.000 2.261 299 M HA 0.117 4.597 4.480 -0.000 0.000 0.350 299 M C -0.425 175.896 176.300 0.036 0.000 1.343 299 M CA -0.261 55.063 55.300 0.041 0.000 1.003 299 M CB 0.001 32.617 32.600 0.026 0.000 1.848 299 M HN 0.536 nan 8.290 nan 0.000 0.456 300 V N 2.933 122.867 119.914 0.033 0.000 2.686 300 V HA 0.619 4.739 4.120 -0.000 0.000 0.295 300 V C -0.027 176.082 176.094 0.025 0.000 1.057 300 V CA -0.579 61.741 62.300 0.034 0.000 1.012 300 V CB 1.304 33.148 31.823 0.035 0.000 1.006 300 V HN 0.891 nan 8.190 nan 0.000 0.477 301 T N 1.976 116.544 114.554 0.023 0.000 2.848 301 T HA 0.354 4.704 4.350 -0.000 0.000 0.285 301 T C 0.953 175.662 174.700 0.014 0.000 0.995 301 T CA 0.356 62.464 62.100 0.014 0.000 0.970 301 T CB 1.807 70.679 68.868 0.008 0.000 0.976 301 T HN 0.991 nan 8.240 nan 0.000 0.441 302 S N 3.089 118.795 115.700 0.010 0.000 2.365 302 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 302 S C 1.006 175.607 174.600 0.002 0.000 1.039 302 S CA 2.146 60.351 58.200 0.008 0.000 1.033 302 S CB -0.659 62.543 63.200 0.003 0.000 0.887 302 S HN 0.895 nan 8.310 nan 0.000 0.447 303 D N 0.989 121.388 120.400 -0.003 0.000 2.423 303 D HA 0.189 4.829 4.640 -0.000 0.000 0.263 303 D C 0.488 176.782 176.300 -0.011 0.000 1.255 303 D CA 0.729 54.724 54.000 -0.008 0.000 0.965 303 D CB -0.214 40.580 40.800 -0.009 0.000 0.933 303 D HN 0.368 nan 8.370 nan 0.000 0.507 304 A N -0.250 122.566 122.820 -0.008 0.000 2.596 304 A HA 0.059 4.379 4.320 -0.000 0.000 0.276 304 A C 0.502 178.074 177.584 -0.020 0.000 0.962 304 A CA -0.469 51.560 52.037 -0.014 0.000 1.010 304 A CB 0.419 19.416 19.000 -0.005 0.000 1.220 304 A HN -0.054 nan 8.150 nan 0.000 0.549 305 Q N 0.027 119.819 119.800 -0.015 0.000 2.432 305 Q HA 0.219 4.559 4.340 -0.000 0.000 0.264 305 Q C 0.732 176.668 176.000 -0.107 0.000 1.035 305 Q CA 0.066 55.861 55.803 -0.012 0.000 0.908 305 Q CB 0.760 29.510 28.738 0.020 0.000 1.280 305 Q HN 0.377 nan 8.270 nan 0.000 0.455 306 I N 0.462 120.880 120.570 -0.254 0.000 4.139 306 I HA 0.115 4.285 4.170 -0.000 0.000 0.320 306 I C 0.386 176.110 176.117 -0.655 0.000 1.290 306 I CA 0.371 61.336 61.300 -0.558 0.000 1.253 306 I CB -0.208 37.158 38.000 -1.056 0.000 1.122 306 I HN 0.345 nan 8.210 nan 0.000 0.421 307 F N 0.523 120.518 119.950 0.075 0.000 2.461 307 F HA 0.387 4.914 4.527 -0.000 0.000 0.337 307 F C 1.458 177.219 175.800 -0.065 0.000 1.079 307 F CA -0.767 57.262 58.000 0.048 0.000 1.032 307 F CB -0.020 38.998 39.000 0.030 0.000 1.327 307 F HN -0.149 nan 8.300 nan 0.000 0.491 308 N N -0.452 118.275 118.700 0.045 0.000 2.828 308 N HA -0.254 4.486 4.740 -0.000 0.000 0.248 308 N C -0.673 174.726 175.510 -0.186 0.000 1.044 308 N CA 1.008 54.004 53.050 -0.089 0.000 0.851 308 N CB -0.700 37.767 38.487 -0.033 0.000 1.136 308 N HN 0.570 nan 8.380 nan 0.000 0.572 309 K N 0.323 120.554 120.400 -0.283 0.000 2.345 309 K HA 0.466 4.786 4.320 -0.000 0.000 0.255 309 K C -2.892 173.246 176.600 -0.770 0.000 0.934 309 K CA -2.010 54.067 56.287 -0.350 0.000 0.801 309 K CB 1.990 34.385 32.500 -0.174 0.000 1.137 309 K HN -0.182 nan 8.250 nan 0.000 0.424 310 P HA 0.174 nan 4.420 nan 0.000 0.290 310 P C -1.486 175.111 177.300 -1.172 0.000 1.276 310 P CA -0.242 62.177 63.100 -1.135 0.000 0.808 310 P CB 0.356 31.410 31.700 -1.077 0.000 0.966 311 Y N 0.816 120.627 120.300 -0.815 0.000 2.331 311 Y HA 0.363 4.913 4.550 -0.000 0.000 0.338 311 Y C 0.094 175.510 175.900 -0.808 0.000 0.976 311 Y CA -0.837 56.787 58.100 -0.794 0.000 1.137 311 Y CB 1.031 39.052 38.460 -0.731 0.000 1.172 311 Y HN 0.322 nan 8.280 nan 0.000 0.478 312 W N 5.360 126.491 121.300 -0.281 0.000 2.308 312 W HA 0.446 5.106 4.660 0.000 0.000 0.311 312 W C -0.289 176.035 176.519 -0.325 0.000 1.088 312 W CA -0.761 56.423 57.345 -0.269 0.000 1.309 312 W CB 0.915 30.286 29.460 -0.148 0.000 1.229 312 W HN 0.518 nan 8.180 nan 0.000 0.427 313 L N 4.476 125.668 121.223 -0.053 0.000 2.851 313 L HA 0.048 4.388 4.340 -0.000 0.000 0.237 313 L C 2.087 178.884 176.870 -0.122 0.000 1.257 313 L CA -0.081 54.639 54.840 -0.200 0.000 1.061 313 L CB -0.651 41.219 42.059 -0.315 0.000 1.372 313 L HN 0.590 nan 8.230 nan 0.000 0.493 314 Q N 0.229 120.001 119.800 -0.045 0.000 2.112 314 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 314 Q C 1.189 177.163 176.000 -0.043 0.000 0.987 314 Q CA 1.261 57.040 55.803 -0.041 0.000 0.858 314 Q CB -0.009 28.709 28.738 -0.032 0.000 0.905 314 Q HN 0.505 nan 8.270 nan 0.000 0.420 315 R N -0.652 119.829 120.500 -0.032 0.000 3.076 315 R HA 0.781 5.121 4.340 -0.000 0.000 0.239 315 R C -1.759 174.535 176.300 -0.010 0.000 1.392 315 R CA -0.164 55.922 56.100 -0.022 0.000 1.044 315 R CB 2.279 32.577 30.300 -0.004 0.000 1.389 315 R HN 0.220 nan 8.270 nan 0.000 0.498 316 A N 0.834 123.663 122.820 0.016 0.000 2.483 316 A HA 0.130 4.450 4.320 -0.000 0.000 0.315 316 A C -0.641 176.987 177.584 0.073 0.000 1.027 316 A CA -0.716 51.361 52.037 0.067 0.000 0.996 316 A CB 0.976 20.013 19.000 0.062 0.000 1.288 316 A HN 0.715 nan 8.150 nan 0.000 0.371 317 Q N 1.327 121.179 119.800 0.087 0.000 2.439 317 Q HA 0.164 4.504 4.340 -0.000 0.000 0.211 317 Q C 0.900 176.922 176.000 0.037 0.000 0.978 317 Q CA 1.413 57.245 55.803 0.049 0.000 0.897 317 Q CB -0.445 28.332 28.738 0.065 0.000 0.956 317 Q HN 1.250 nan 8.270 nan 0.000 0.483 318 G N -0.758 108.113 108.800 0.118 0.000 2.444 318 G HA2 0.231 4.191 3.960 -0.000 0.000 0.268 318 G HA3 0.231 4.191 3.960 -0.000 0.000 0.268 318 G C -0.603 174.385 174.900 0.147 0.000 1.203 318 G CA -0.472 44.740 45.100 0.186 0.000 0.835 318 G HN 0.287 nan 8.290 nan 0.000 0.543 319 H N 0.342 119.544 119.070 0.218 0.000 2.357 319 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 319 H C 1.651 177.144 175.328 0.275 0.000 1.082 319 H CA 1.339 57.534 56.048 0.245 0.000 1.342 319 H CB 0.210 30.147 29.762 0.292 0.000 1.389 319 H HN 0.470 nan 8.280 nan 0.000 0.511 320 N N 0.716 119.690 118.700 0.457 0.000 2.508 320 N HA -0.076 4.664 4.740 -0.000 0.000 0.264 320 N C 0.088 175.747 175.510 0.248 0.000 1.216 320 N CA 0.257 53.523 53.050 0.359 0.000 0.943 320 N CB 0.787 39.526 38.487 0.420 0.000 1.113 320 N HN 0.227 nan 8.380 nan 0.000 0.447 321 N N 0.560 119.294 118.700 0.056 0.000 2.184 321 N HA 0.258 4.998 4.740 -0.000 0.000 0.234 321 N C -0.245 175.084 175.510 -0.302 0.000 1.282 321 N CA 0.326 53.327 53.050 -0.082 0.000 0.877 321 N CB 0.403 38.854 38.487 -0.059 0.000 1.184 321 N HN 0.707 nan 8.380 nan 0.000 0.510 322 G N 0.403 109.023 108.800 -0.300 0.000 2.665 322 G HA2 0.005 3.965 3.960 -0.000 0.000 0.220 322 G HA3 0.005 3.965 3.960 -0.000 0.000 0.220 322 G C -0.800 173.988 174.900 -0.187 0.000 1.002 322 G CA -0.496 44.379 45.100 -0.375 0.000 0.893 322 G HN 0.085 nan 8.290 nan 0.000 0.586 323 I N 1.965 122.365 120.570 -0.284 0.000 2.278 323 I HA 0.237 4.407 4.170 -0.000 0.000 0.296 323 I C 0.875 176.747 176.117 -0.409 0.000 1.121 323 I CA -1.434 59.520 61.300 -0.578 0.000 1.267 323 I CB -0.371 36.846 38.000 -1.306 0.000 1.447 323 I HN 0.144 nan 8.210 nan 0.000 0.509 324 C N 5.809 125.055 119.300 -0.091 0.000 2.773 324 C HA 0.054 4.514 4.460 -0.000 0.000 0.442 324 C C 0.809 175.867 174.990 0.113 0.000 1.028 324 C CA -1.030 58.016 59.018 0.046 0.000 1.164 324 C CB -2.291 25.501 27.740 0.088 0.000 1.593 324 C HN 0.610 nan 8.230 nan 0.000 0.557 325 W N 1.018 122.332 121.300 0.024 0.000 2.264 325 W HA 0.388 5.048 4.660 -0.000 0.000 0.331 325 W C 1.357 177.795 176.519 -0.135 0.000 1.364 325 W CA 0.677 57.982 57.345 -0.067 0.000 1.253 325 W CB 0.378 29.789 29.460 -0.082 0.000 1.215 325 W HN 0.926 nan 8.180 nan 0.000 0.561 326 G N 2.650 111.500 108.800 0.083 0.000 2.184 326 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.264 326 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.264 326 G C 0.396 175.294 174.900 -0.003 0.000 0.975 326 G CA 0.240 45.317 45.100 -0.038 0.000 0.642 326 G HN 0.777 nan 8.290 nan 0.000 0.536 327 N N -0.884 117.839 118.700 0.039 0.000 2.776 327 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 327 N C 0.154 175.591 175.510 -0.121 0.000 1.111 327 N CA 1.849 54.889 53.050 -0.016 0.000 0.711 327 N CB -1.278 37.210 38.487 0.002 0.000 1.065 327 N HN 0.877 nan 8.380 nan 0.000 0.556 328 Q N 0.002 119.710 119.800 -0.154 0.000 2.245 328 Q HA 0.711 5.051 4.340 -0.000 0.000 0.256 328 Q C -0.300 175.516 176.000 -0.306 0.000 0.942 328 Q CA -0.357 55.254 55.803 -0.320 0.000 0.896 328 Q CB 1.919 30.405 28.738 -0.420 0.000 1.272 328 Q HN 0.258 nan 8.270 nan 0.000 0.442 329 L N 3.325 124.318 121.223 -0.384 0.000 2.482 329 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 329 L C -1.536 175.263 176.870 -0.119 0.000 0.967 329 L CA -0.358 54.364 54.840 -0.197 0.000 0.851 329 L CB 1.203 43.181 42.059 -0.136 0.000 1.242 329 L HN 0.710 nan 8.230 nan 0.000 0.404 330 F N 4.618 124.541 119.950 -0.045 0.000 2.334 330 F HA 0.332 4.859 4.527 0.000 0.000 0.365 330 F C 0.241 176.063 175.800 0.037 0.000 1.124 330 F CA -0.993 56.962 58.000 -0.075 0.000 1.166 330 F CB 1.403 40.276 39.000 -0.212 0.000 1.355 330 F HN 0.100 nan 8.300 nan 0.000 0.532 331 V N 2.789 122.920 119.914 0.362 0.000 2.439 331 V HA 0.393 4.513 4.120 -0.000 0.000 0.282 331 V C -0.064 176.216 176.094 0.310 0.000 1.039 331 V CA -0.416 62.081 62.300 0.329 0.000 0.913 331 V CB 1.628 33.644 31.823 0.321 0.000 0.983 331 V HN 0.654 nan 8.190 nan 0.000 0.460 332 T N 3.754 118.455 114.554 0.244 0.000 2.965 332 T HA 0.601 4.951 4.350 -0.000 0.000 0.306 332 T C -0.606 174.227 174.700 0.223 0.000 0.991 332 T CA -0.460 61.763 62.100 0.204 0.000 1.001 332 T CB 1.455 70.405 68.868 0.137 0.000 0.984 332 T HN 0.326 nan 8.240 nan 0.000 0.446 333 V N 3.146 123.199 119.914 0.230 0.000 2.680 333 V HA 0.777 4.897 4.120 -0.000 0.000 0.309 333 V C -0.578 175.561 176.094 0.076 0.000 1.052 333 V CA -0.780 61.636 62.300 0.194 0.000 0.908 333 V CB 2.272 34.237 31.823 0.237 0.000 1.001 333 V HN 0.710 nan 8.190 nan 0.000 0.431 334 V N 2.904 122.834 119.914 0.027 0.000 2.668 334 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 334 V C -1.520 174.580 176.094 0.010 0.000 1.071 334 V CA -0.348 61.905 62.300 -0.077 0.000 0.894 334 V CB 2.114 33.788 31.823 -0.249 0.000 1.008 334 V HN 1.045 nan 8.190 nan 0.000 0.425 335 D N 2.196 122.588 120.400 -0.014 0.000 2.375 335 D HA 0.316 4.956 4.640 -0.000 0.000 0.241 335 D C 0.769 177.088 176.300 0.031 0.000 1.361 335 D CA 0.336 54.326 54.000 -0.015 0.000 0.995 335 D CB 1.920 42.561 40.800 -0.265 0.000 1.312 335 D HN 0.587 nan 8.370 nan 0.000 0.576 336 T N -0.816 113.778 114.554 0.066 0.000 3.044 336 T HA -0.070 4.280 4.350 -0.000 0.000 0.255 336 T C 1.763 176.503 174.700 0.067 0.000 1.073 336 T CA 1.168 63.312 62.100 0.073 0.000 1.125 336 T CB -0.322 68.595 68.868 0.083 0.000 0.908 336 T HN 0.313 nan 8.240 nan 0.000 0.480 337 T N 1.108 115.705 114.554 0.072 0.000 2.918 337 T HA -0.067 4.283 4.350 -0.000 0.000 0.271 337 T C 1.090 175.817 174.700 0.044 0.000 1.104 337 T CA 0.757 62.894 62.100 0.062 0.000 1.114 337 T CB -0.482 68.433 68.868 0.079 0.000 0.855 337 T HN 0.477 nan 8.240 nan 0.000 0.518 338 R N 1.102 121.628 120.500 0.042 0.000 2.564 338 R HA 0.377 4.716 4.340 -0.000 0.000 0.282 338 R C 0.586 176.969 176.300 0.138 0.000 1.573 338 R CA 0.010 56.142 56.100 0.053 0.000 1.588 338 R CB 0.976 31.277 30.300 0.001 0.000 1.154 338 R HN 0.411 nan 8.270 nan 0.000 0.606 339 S N -1.407 114.356 115.700 0.105 0.000 2.505 339 S HA -0.014 4.456 4.470 -0.000 0.000 0.216 339 S C 0.820 175.252 174.600 -0.279 0.000 1.018 339 S CA -0.271 57.930 58.200 0.001 0.000 0.911 339 S CB 0.280 63.456 63.200 -0.039 0.000 0.818 339 S HN 0.274 nan 8.310 nan 0.000 0.497 340 T N 5.153 119.652 114.554 -0.091 0.000 2.596 340 T HA 0.027 4.377 4.350 -0.000 0.000 0.252 340 T C -0.336 174.257 174.700 -0.178 0.000 1.033 340 T CA 0.333 62.372 62.100 -0.102 0.000 1.215 340 T CB -0.825 68.039 68.868 -0.006 0.000 1.011 340 T HN 0.666 nan 8.240 nan 0.000 0.498 341 N N 3.642 122.182 118.700 -0.266 0.000 2.424 341 N HA 0.472 5.212 4.740 -0.000 0.000 0.271 341 N C 0.079 175.548 175.510 -0.069 0.000 0.985 341 N CA -1.004 51.912 53.050 -0.223 0.000 0.921 341 N CB 0.808 39.070 38.487 -0.376 0.000 1.149 341 N HN 0.599 nan 8.380 nan 0.000 0.492 342 M N -0.447 119.151 119.600 -0.003 0.000 2.291 342 M HA 0.545 5.025 4.480 -0.000 0.000 0.324 342 M C -0.517 175.800 176.300 0.029 0.000 1.148 342 M CA -0.671 54.641 55.300 0.019 0.000 1.104 342 M CB 1.195 33.816 32.600 0.036 0.000 1.483 342 M HN 0.498 nan 8.290 nan 0.000 0.467 343 S N 3.228 118.954 115.700 0.044 0.000 2.454 343 S HA 0.784 5.254 4.470 -0.000 0.000 0.306 343 S C -0.575 174.081 174.600 0.093 0.000 1.100 343 S CA -1.012 57.231 58.200 0.073 0.000 1.087 343 S CB 1.105 64.345 63.200 0.068 0.000 1.019 343 S HN 0.789 nan 8.310 nan 0.000 0.480 344 L N 0.620 121.928 121.223 0.141 0.000 2.354 344 L HA 0.971 5.311 4.340 -0.000 0.000 0.269 344 L C -0.553 176.473 176.870 0.261 0.000 1.005 344 L CA -1.048 53.883 54.840 0.152 0.000 0.819 344 L CB 1.571 43.693 42.059 0.104 0.000 1.311 344 L HN 0.924 nan 8.230 nan 0.000 0.423 345 C N 1.393 120.835 119.300 0.237 0.000 2.516 345 C HA 0.940 5.400 4.460 -0.000 0.000 0.338 345 C C -0.045 175.128 174.990 0.305 0.000 1.132 345 C CA -0.120 59.082 59.018 0.307 0.000 1.310 345 C CB 0.538 28.429 27.740 0.251 0.000 1.898 345 C HN 1.200 nan 8.230 nan 0.000 0.452 346 A N 4.230 127.238 122.820 0.315 0.000 2.304 346 A HA 0.865 5.185 4.320 -0.000 0.000 0.314 346 A C 0.467 178.128 177.584 0.130 0.000 1.187 346 A CA 0.259 52.421 52.037 0.209 0.000 0.810 346 A CB 0.774 19.862 19.000 0.146 0.000 1.183 346 A HN 2.399 nan 8.150 nan 0.000 0.487 347 A N 1.701 124.527 122.820 0.009 0.000 2.507 347 A HA 0.325 4.645 4.320 -0.000 0.000 0.235 347 A C 0.939 178.383 177.584 -0.234 0.000 1.070 347 A CA 0.281 52.084 52.037 -0.390 0.000 0.768 347 A CB -0.056 18.686 19.000 -0.430 0.000 1.011 347 A HN 1.420 nan 8.150 nan 0.000 0.502 348 I N 0.431 120.806 120.570 -0.325 0.000 3.035 348 I HA 0.102 4.272 4.170 -0.000 0.000 0.271 348 I C 0.710 176.736 176.117 -0.151 0.000 1.190 348 I CA 1.547 62.736 61.300 -0.184 0.000 1.472 348 I CB -0.032 37.861 38.000 -0.178 0.000 1.116 348 I HN 0.750 nan 8.210 nan 0.000 0.443 349 S N -2.198 113.387 115.700 -0.192 0.000 2.543 349 S HA 0.272 4.742 4.470 -0.000 0.000 0.274 349 S C 0.333 174.857 174.600 -0.127 0.000 1.149 349 S CA -0.066 58.060 58.200 -0.123 0.000 0.866 349 S CB 0.698 63.840 63.200 -0.097 0.000 1.111 349 S HN 0.164 nan 8.310 nan 0.000 0.457 350 T N -0.758 113.754 114.554 -0.070 0.000 3.169 350 T HA 0.183 4.533 4.350 -0.000 0.000 0.250 350 T C 1.476 176.161 174.700 -0.026 0.000 1.111 350 T CA 0.577 62.653 62.100 -0.040 0.000 1.010 350 T CB -0.508 68.354 68.868 -0.010 0.000 0.984 350 T HN 0.485 nan 8.240 nan 0.000 0.537 351 S N 1.795 117.472 115.700 -0.039 0.000 2.444 351 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 351 S C 0.793 175.385 174.600 -0.014 0.000 1.042 351 S CA 1.067 59.251 58.200 -0.026 0.000 1.132 351 S CB -0.566 62.611 63.200 -0.037 0.000 1.099 351 S HN 0.620 nan 8.310 nan 0.000 0.417 352 E N 0.984 121.169 120.200 -0.026 0.000 2.739 352 E HA -0.065 4.285 4.350 -0.000 0.000 0.278 352 E C 0.934 177.551 176.600 0.028 0.000 0.978 352 E CA 1.011 57.409 56.400 -0.003 0.000 0.978 352 E CB 0.212 29.902 29.700 -0.018 0.000 0.982 352 E HN 0.566 nan 8.360 nan 0.000 0.469 353 T N -1.993 112.584 114.554 0.037 0.000 3.044 353 T HA 0.147 4.497 4.350 -0.000 0.000 0.260 353 T C 0.299 175.041 174.700 0.069 0.000 1.019 353 T CA 0.044 62.174 62.100 0.050 0.000 0.921 353 T CB 0.015 68.905 68.868 0.037 0.000 1.053 353 T HN 0.476 nan 8.240 nan 0.000 0.533 354 T N -0.615 113.986 114.554 0.078 0.000 2.893 354 T HA 0.581 4.931 4.350 -0.000 0.000 0.291 354 T C -1.029 173.756 174.700 0.142 0.000 1.028 354 T CA -0.976 61.188 62.100 0.107 0.000 0.995 354 T CB 1.702 70.622 68.868 0.087 0.000 1.051 354 T HN 0.199 nan 8.240 nan 0.000 0.470 355 Y N 2.012 122.366 120.300 0.089 0.000 2.465 355 Y HA 0.441 4.991 4.550 -0.000 0.000 0.331 355 Y C 0.125 176.099 175.900 0.123 0.000 1.102 355 Y CA 0.110 58.283 58.100 0.122 0.000 1.358 355 Y CB 0.504 38.982 38.460 0.031 0.000 1.213 355 Y HN 0.604 nan 8.280 nan 0.000 0.525 356 K N 5.583 125.837 120.400 -0.243 0.000 2.463 356 K HA 0.139 4.459 4.320 -0.000 0.000 0.255 356 K C 0.348 176.819 176.600 -0.214 0.000 0.942 356 K CA -0.771 55.464 56.287 -0.086 0.000 0.814 356 K CB 1.571 34.044 32.500 -0.045 0.000 1.122 356 K HN 0.753 nan 8.250 nan 0.000 0.425 357 N N 0.626 119.389 118.700 0.106 0.000 2.122 357 N HA -0.208 4.532 4.740 -0.000 0.000 0.199 357 N C 0.878 176.438 175.510 0.083 0.000 1.007 357 N CA 2.242 55.398 53.050 0.177 0.000 0.892 357 N CB 0.008 38.614 38.487 0.199 0.000 1.050 357 N HN 0.627 nan 8.380 nan 0.000 0.468 358 T N -3.026 111.545 114.554 0.028 0.000 3.273 358 T HA 0.209 4.559 4.350 -0.000 0.000 0.254 358 T C 0.635 175.290 174.700 -0.075 0.000 1.002 358 T CA -0.314 61.782 62.100 -0.006 0.000 0.913 358 T CB -0.162 68.700 68.868 -0.009 0.000 1.056 358 T HN 0.105 nan 8.240 nan 0.000 0.576 359 N N 0.581 119.204 118.700 -0.128 0.000 2.187 359 N HA 0.250 4.990 4.740 -0.000 0.000 0.212 359 N C -1.143 173.930 175.510 -0.727 0.000 1.152 359 N CA -0.708 52.130 53.050 -0.353 0.000 0.872 359 N CB 0.189 38.431 38.487 -0.408 0.000 1.025 359 N HN 0.366 nan 8.380 nan 0.000 0.514 360 F N 0.156 120.050 119.950 -0.094 0.000 2.574 360 F HA 0.449 4.976 4.527 -0.000 0.000 0.313 360 F C -0.047 175.740 175.800 -0.023 0.000 1.130 360 F CA -0.925 57.050 58.000 -0.041 0.000 0.936 360 F CB 1.785 40.763 39.000 -0.036 0.000 1.219 360 F HN -0.369 nan 8.300 nan 0.000 0.445 361 K N 2.430 122.910 120.400 0.133 0.000 2.213 361 K HA 0.375 4.695 4.320 -0.000 0.000 0.270 361 K C -0.700 175.890 176.600 -0.016 0.000 1.002 361 K CA -0.801 55.480 56.287 -0.009 0.000 0.868 361 K CB 1.433 33.920 32.500 -0.022 0.000 1.093 361 K HN 0.479 nan 8.250 nan 0.000 0.454 362 E N 2.844 122.944 120.200 -0.167 0.000 2.156 362 E HA 0.266 4.616 4.350 -0.000 0.000 0.279 362 E C -1.093 175.392 176.600 -0.191 0.000 0.965 362 E CA -0.390 55.985 56.400 -0.041 0.000 0.789 362 E CB 1.110 30.817 29.700 0.012 0.000 1.098 362 E HN 0.367 nan 8.360 nan 0.000 0.397 363 Y N 0.886 121.253 120.300 0.111 0.000 2.576 363 Y HA 0.484 5.034 4.550 0.000 0.000 0.346 363 Y C -0.044 175.907 175.900 0.087 0.000 1.018 363 Y CA -0.930 57.247 58.100 0.128 0.000 1.050 363 Y CB 1.547 40.081 38.460 0.125 0.000 1.280 363 Y HN 0.231 nan 8.280 nan 0.000 0.474 364 L N 3.275 124.643 121.223 0.243 0.000 2.333 364 L HA 0.695 5.035 4.340 -0.000 0.000 0.280 364 L C -0.612 176.200 176.870 -0.097 0.000 1.004 364 L CA -0.879 53.971 54.840 0.017 0.000 0.820 364 L CB 1.478 43.482 42.059 -0.092 0.000 1.247 364 L HN 0.511 nan 8.230 nan 0.000 0.416 365 R N 1.729 122.204 120.500 -0.042 0.000 2.673 365 R HA 0.491 4.831 4.340 -0.000 0.000 0.281 365 R C -1.418 174.907 176.300 0.042 0.000 0.991 365 R CA -0.778 55.315 56.100 -0.011 0.000 0.896 365 R CB 2.223 32.542 30.300 0.033 0.000 1.201 365 R HN 0.656 nan 8.270 nan 0.000 0.457 366 H N 0.023 119.048 119.070 -0.076 0.000 2.759 366 H HA 0.543 5.099 4.556 0.000 0.000 0.354 366 H C -0.692 174.626 175.328 -0.017 0.000 1.074 366 H CA -0.700 55.314 56.048 -0.058 0.000 1.226 366 H CB 2.041 31.747 29.762 -0.093 0.000 1.648 366 H HN 0.771 nan 8.280 nan 0.000 0.529 367 G N 2.537 111.235 108.800 -0.170 0.000 2.434 367 G HA2 0.385 4.345 3.960 -0.000 0.000 0.330 367 G HA3 0.385 4.345 3.960 -0.000 0.000 0.330 367 G C -0.944 173.744 174.900 -0.353 0.000 1.155 367 G CA -0.517 44.475 45.100 -0.180 0.000 0.917 367 G HN 0.631 nan 8.290 nan 0.000 0.493 368 E N 0.602 120.717 120.200 -0.141 0.000 2.361 368 E HA 0.083 4.433 4.350 -0.000 0.000 0.270 368 E C -1.205 175.408 176.600 0.021 0.000 0.911 368 E CA -0.351 55.999 56.400 -0.083 0.000 0.818 368 E CB 2.393 32.109 29.700 0.027 0.000 1.332 368 E HN 0.689 nan 8.360 nan 0.000 0.402 369 E N 3.820 123.955 120.200 -0.108 0.000 1.936 369 E HA 0.169 4.519 4.350 -0.000 0.000 0.267 369 E C -0.877 175.621 176.600 -0.170 0.000 1.076 369 E CA -0.160 56.202 56.400 -0.064 0.000 0.870 369 E CB 0.298 29.959 29.700 -0.065 0.000 1.093 369 E HN 0.329 nan 8.360 nan 0.000 0.411 370 Y N 1.877 122.157 120.300 -0.033 0.000 2.344 370 Y HA 0.325 4.875 4.550 -0.000 0.000 0.330 370 Y C 0.207 176.007 175.900 -0.167 0.000 1.330 370 Y CA -0.229 57.787 58.100 -0.140 0.000 1.479 370 Y CB 1.157 39.489 38.460 -0.214 0.000 1.428 370 Y HN 0.445 nan 8.280 nan 0.000 0.544 371 D N 0.462 120.860 120.400 -0.004 0.000 2.219 371 D HA 0.230 4.870 4.640 -0.000 0.000 0.191 371 D C -1.984 174.182 176.300 -0.222 0.000 1.272 371 D CA -0.180 53.754 54.000 -0.109 0.000 0.873 371 D CB 0.280 41.033 40.800 -0.079 0.000 1.730 371 D HN 0.372 nan 8.370 nan 0.000 0.519 372 L N 2.845 123.882 121.223 -0.310 0.000 2.334 372 L HA 0.611 4.951 4.340 -0.000 0.000 0.275 372 L C -0.137 176.429 176.870 -0.508 0.000 1.036 372 L CA -0.773 53.782 54.840 -0.475 0.000 0.807 372 L CB 1.691 43.461 42.059 -0.482 0.000 1.231 372 L HN 0.413 nan 8.230 nan 0.000 0.438 373 Q N 3.154 122.468 119.800 -0.810 0.000 2.347 373 Q HA 0.581 4.921 4.340 -0.000 0.000 0.271 373 Q C -1.456 173.863 176.000 -1.136 0.000 1.064 373 Q CA -0.414 54.965 55.803 -0.706 0.000 0.800 373 Q CB 3.100 31.530 28.738 -0.513 0.000 1.304 373 Q HN 0.359 nan 8.270 nan 0.000 0.438 374 F N 1.185 120.722 119.950 -0.689 0.000 2.599 374 F HA 0.585 5.112 4.527 -0.000 0.000 0.311 374 F C -0.264 174.990 175.800 -0.910 0.000 1.076 374 F CA -1.012 56.478 58.000 -0.851 0.000 0.937 374 F CB 1.789 40.227 39.000 -0.937 0.000 1.282 374 F HN 0.255 nan 8.300 nan 0.000 0.460 375 I N 2.783 122.941 120.570 -0.688 0.000 2.512 375 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 375 I C -1.239 174.590 176.117 -0.480 0.000 1.069 375 I CA -0.940 60.076 61.300 -0.474 0.000 1.056 375 I CB 1.471 39.171 38.000 -0.500 0.000 1.229 375 I HN 0.406 nan 8.210 nan 0.000 0.429 376 F N 3.963 123.944 119.950 0.052 0.000 2.508 376 F HA 0.470 4.997 4.527 -0.000 0.000 0.325 376 F C 0.517 176.631 175.800 0.524 0.000 1.090 376 F CA -0.695 57.452 58.000 0.245 0.000 0.945 376 F CB 1.733 40.871 39.000 0.229 0.000 1.156 376 F HN 0.352 nan 8.300 nan 0.000 0.463 377 Q N 3.693 123.843 119.800 0.584 0.000 2.314 377 Q HA 0.379 4.719 4.340 -0.000 0.000 0.259 377 Q C -1.055 174.959 176.000 0.024 0.000 0.951 377 Q CA -1.171 54.779 55.803 0.245 0.000 0.909 377 Q CB 1.590 30.448 28.738 0.199 0.000 1.236 377 Q HN 0.727 nan 8.270 nan 0.000 0.444 378 L N 4.287 125.375 121.223 -0.226 0.000 2.490 378 L HA 0.160 4.500 4.340 -0.000 0.000 0.274 378 L C -1.238 175.352 176.870 -0.467 0.000 1.201 378 L CA 0.588 55.062 54.840 -0.611 0.000 0.869 378 L CB 0.330 41.926 42.059 -0.771 0.000 1.123 378 L HN 0.829 nan 8.230 nan 0.000 0.484 379 C N 4.145 123.178 119.300 -0.445 0.000 3.044 379 C HA 0.806 5.266 4.460 -0.000 0.000 0.315 379 C C -0.473 174.386 174.990 -0.218 0.000 1.320 379 C CA -0.976 57.880 59.018 -0.269 0.000 1.582 379 C CB 2.422 30.060 27.740 -0.170 0.000 2.039 379 C HN 0.929 nan 8.230 nan 0.000 0.466 380 K N 0.632 120.972 120.400 -0.100 0.000 2.477 380 K HA 0.861 5.181 4.320 -0.000 0.000 0.255 380 K C -1.810 174.811 176.600 0.034 0.000 0.952 380 K CA -0.514 55.753 56.287 -0.033 0.000 0.826 380 K CB 1.760 34.281 32.500 0.036 0.000 1.331 380 K HN 0.573 nan 8.250 nan 0.000 0.437 381 I N 2.062 122.660 120.570 0.047 0.000 2.531 381 I HA 0.077 4.247 4.170 -0.000 0.000 0.283 381 I C -0.325 175.808 176.117 0.028 0.000 1.083 381 I CA -0.709 60.652 61.300 0.101 0.000 1.071 381 I CB 2.269 40.408 38.000 0.231 0.000 1.210 381 I HN 0.818 nan 8.210 nan 0.000 0.450 382 T N 4.140 118.719 114.554 0.042 0.000 2.867 382 T HA 0.266 4.616 4.350 -0.000 0.000 0.297 382 T C -0.187 174.521 174.700 0.014 0.000 0.989 382 T CA -0.320 61.786 62.100 0.010 0.000 1.159 382 T CB 0.438 69.316 68.868 0.017 0.000 0.928 382 T HN 0.252 nan 8.240 nan 0.000 0.538 383 L N 5.033 126.238 121.223 -0.029 0.000 2.334 383 L HA 0.315 4.655 4.340 -0.000 0.000 0.286 383 L C 1.414 178.288 176.870 0.008 0.000 1.108 383 L CA -0.094 54.738 54.840 -0.013 0.000 0.875 383 L CB 0.141 42.167 42.059 -0.055 0.000 1.246 383 L HN 1.071 nan 8.230 nan 0.000 0.439 384 T N -0.154 114.417 114.554 0.029 0.000 2.924 384 T HA 0.609 4.959 4.350 -0.000 0.000 0.301 384 T C 1.398 176.110 174.700 0.021 0.000 1.120 384 T CA 0.070 62.183 62.100 0.021 0.000 0.940 384 T CB 0.811 69.693 68.868 0.024 0.000 1.591 384 T HN 0.384 nan 8.240 nan 0.000 0.578 385 A N 1.064 123.893 122.820 0.014 0.000 1.824 385 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 385 A C 1.993 179.588 177.584 0.018 0.000 1.209 385 A CA 1.978 54.022 52.037 0.012 0.000 0.614 385 A CB -1.600 17.403 19.000 0.005 0.000 0.852 385 A HN 0.880 nan 8.150 nan 0.000 0.447 386 D N -0.495 119.912 120.400 0.011 0.000 2.265 386 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 386 D C 1.866 178.163 176.300 -0.005 0.000 0.977 386 D CA 1.088 55.089 54.000 0.002 0.000 0.871 386 D CB -0.362 40.428 40.800 -0.017 0.000 0.925 386 D HN 0.198 nan 8.370 nan 0.000 0.485 387 V N 0.833 120.755 119.914 0.014 0.000 2.255 387 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 387 V C 2.270 178.413 176.094 0.083 0.000 1.038 387 V CA 1.711 64.034 62.300 0.038 0.000 1.008 387 V CB -0.461 31.419 31.823 0.095 0.000 0.645 387 V HN 0.245 nan 8.190 nan 0.000 0.449 388 M N 0.823 120.471 119.600 0.080 0.000 2.562 388 M HA -0.094 4.386 4.480 -0.000 0.000 0.257 388 M C 2.001 178.367 176.300 0.111 0.000 1.099 388 M CA 1.733 57.098 55.300 0.107 0.000 1.099 388 M CB -0.290 32.357 32.600 0.078 0.000 1.427 388 M HN 0.597 nan 8.290 nan 0.000 0.489 389 T N -1.506 113.099 114.554 0.085 0.000 2.770 389 T HA -0.176 4.174 4.350 -0.000 0.000 0.258 389 T C 1.663 176.458 174.700 0.158 0.000 1.039 389 T CA 1.173 63.327 62.100 0.089 0.000 1.143 389 T CB -1.066 67.837 68.868 0.060 0.000 0.866 389 T HN 0.516 nan 8.240 nan 0.000 0.428 390 Y N 2.696 122.975 120.300 -0.034 0.000 2.014 390 Y HA -0.116 4.434 4.550 -0.000 0.000 0.272 390 Y C 2.240 178.067 175.900 -0.121 0.000 1.164 390 Y CA 1.235 59.288 58.100 -0.080 0.000 1.114 390 Y CB -0.706 37.623 38.460 -0.219 0.000 0.961 390 Y HN 0.186 nan 8.280 nan 0.000 0.489 391 I N -0.243 120.317 120.570 -0.017 0.000 2.597 391 I HA -0.374 3.796 4.170 -0.000 0.000 0.262 391 I C 2.337 178.352 176.117 -0.170 0.000 1.194 391 I CA 1.795 63.002 61.300 -0.156 0.000 1.437 391 I CB -0.706 37.347 38.000 0.089 0.000 1.096 391 I HN 0.480 nan 8.210 nan 0.000 0.451 392 H N 0.548 119.540 119.070 -0.130 0.000 2.406 392 H HA 0.074 4.630 4.556 0.000 0.000 0.304 392 H C 2.211 177.441 175.328 -0.164 0.000 1.042 392 H CA 1.035 57.010 56.048 -0.122 0.000 1.360 392 H CB 0.341 30.077 29.762 -0.043 0.000 1.448 392 H HN 0.083 nan 8.280 nan 0.000 0.553 393 S N 0.698 116.438 115.700 0.067 0.000 2.500 393 S HA -0.067 4.403 4.470 -0.000 0.000 0.239 393 S C 1.965 176.452 174.600 -0.188 0.000 0.989 393 S CA 0.844 59.049 58.200 0.009 0.000 0.951 393 S CB -0.041 63.203 63.200 0.074 0.000 0.759 393 S HN 0.429 nan 8.310 nan 0.000 0.523 394 M N 0.874 120.187 119.600 -0.478 0.000 2.257 394 M HA 0.135 4.615 4.480 -0.000 0.000 0.229 394 M C 0.277 176.175 176.300 -0.670 0.000 1.199 394 M CA 1.066 55.794 55.300 -0.952 0.000 1.186 394 M CB 0.180 31.998 32.600 -1.304 0.000 1.164 394 M HN 0.087 nan 8.290 nan 0.000 0.456 395 N N 0.256 118.559 118.700 -0.662 0.000 2.573 395 N HA 0.140 4.880 4.740 -0.000 0.000 0.262 395 N C 0.582 175.787 175.510 -0.509 0.000 1.029 395 N CA -0.007 52.717 53.050 -0.543 0.000 0.882 395 N CB 1.119 39.253 38.487 -0.588 0.000 1.204 395 N HN 0.420 nan 8.380 nan 0.000 0.519 396 S N 1.845 117.258 115.700 -0.477 0.000 2.380 396 S HA -0.337 4.133 4.470 -0.000 0.000 0.229 396 S C 2.130 176.531 174.600 -0.332 0.000 1.050 396 S CA 2.410 60.314 58.200 -0.493 0.000 1.100 396 S CB -1.388 61.554 63.200 -0.430 0.000 0.984 396 S HN 0.773 nan 8.310 nan 0.000 0.434 397 T N 1.366 115.751 114.554 -0.281 0.000 2.755 397 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 397 T C 1.706 176.217 174.700 -0.316 0.000 1.041 397 T CA 1.581 63.539 62.100 -0.236 0.000 1.147 397 T CB -1.030 67.715 68.868 -0.204 0.000 0.847 397 T HN 0.318 nan 8.240 nan 0.000 0.478 398 I N 1.880 122.163 120.570 -0.478 0.000 2.113 398 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 398 I C 2.624 178.293 176.117 -0.747 0.000 1.064 398 I CA 1.126 61.947 61.300 -0.799 0.000 1.320 398 I CB -1.455 35.931 38.000 -1.024 0.000 1.028 398 I HN 0.378 nan 8.210 nan 0.000 0.406 399 L N -0.135 120.979 121.223 -0.181 0.000 2.007 399 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 399 L C 2.481 179.489 176.870 0.231 0.000 1.073 399 L CA 1.206 56.252 54.840 0.344 0.000 0.744 399 L CB -0.780 41.431 42.059 0.254 0.000 0.898 399 L HN 0.220 nan 8.230 nan 0.000 0.435 400 E N 0.540 120.780 120.200 0.066 0.000 2.013 400 E HA -0.269 4.081 4.350 -0.000 0.000 0.202 400 E C 1.812 178.453 176.600 0.068 0.000 1.018 400 E CA 1.699 58.133 56.400 0.057 0.000 0.834 400 E CB -0.397 29.303 29.700 0.000 0.000 0.770 400 E HN 0.436 nan 8.360 nan 0.000 0.459 401 D N 0.157 120.551 120.400 -0.011 0.000 2.200 401 D HA -0.205 4.435 4.640 -0.000 0.000 0.192 401 D C 0.291 176.668 176.300 0.128 0.000 1.008 401 D CA 0.830 54.830 54.000 -0.000 0.000 0.872 401 D CB -0.328 40.413 40.800 -0.098 0.000 0.923 401 D HN 0.198 nan 8.370 nan 0.000 0.447 402 W N 2.300 123.622 121.300 0.036 0.000 2.417 402 W HA 0.116 4.776 4.660 0.000 0.000 0.332 402 W C 1.048 177.598 176.519 0.053 0.000 1.413 402 W CA 0.015 57.394 57.345 0.056 0.000 1.299 402 W CB -0.626 28.872 29.460 0.064 0.000 1.304 402 W HN -0.026 nan 8.180 nan 0.000 0.565 439 D N 3.254 123.677 120.400 0.039 0.000 2.339 439 D HA 0.157 4.797 4.640 -0.000 0.000 0.256 439 D C -1.344 175.015 176.300 0.097 0.000 1.214 439 D CA -1.830 52.211 54.000 0.069 0.000 0.877 439 D CB 1.282 42.134 40.800 0.086 0.000 1.111 439 D HN 0.101 nan 8.370 nan 0.000 0.478 440 P HA -0.089 nan 4.420 nan 0.000 0.223 440 P C 0.627 178.097 177.300 0.283 0.000 1.151 440 P CA 0.689 63.878 63.100 0.149 0.000 0.787 440 P CB 0.237 32.001 31.700 0.105 0.000 0.788 441 L N -0.781 120.630 121.223 0.314 0.000 3.001 441 L HA 0.292 4.632 4.340 -0.000 0.000 0.234 441 L C 1.873 178.960 176.870 0.363 0.000 1.321 441 L CA -0.159 54.992 54.840 0.519 0.000 1.138 441 L CB -0.238 42.153 42.059 0.554 0.000 1.503 441 L HN -0.126 nan 8.230 nan 0.000 0.487 442 K N 1.478 121.995 120.400 0.196 0.000 2.202 442 K HA 0.020 4.340 4.320 -0.000 0.000 0.201 442 K C 1.782 178.343 176.600 -0.066 0.000 1.051 442 K CA 0.838 57.159 56.287 0.056 0.000 0.977 442 K CB 0.395 32.907 32.500 0.020 0.000 0.792 442 K HN 0.082 nan 8.250 nan 0.000 0.469 443 K N 0.058 120.334 120.400 -0.206 0.000 2.458 443 K HA 0.061 4.381 4.320 -0.000 0.000 0.194 443 K C -0.346 175.760 176.600 -0.824 0.000 1.024 443 K CA 0.114 56.114 56.287 -0.480 0.000 1.108 443 K CB -0.095 32.078 32.500 -0.545 0.000 0.846 443 K HN 0.102 nan 8.250 nan 0.000 0.518 444 Y N 0.705 120.898 120.300 -0.178 0.000 2.567 444 Y HA 0.327 4.877 4.550 -0.000 0.000 0.333 444 Y C 0.435 175.907 175.900 -0.715 0.000 1.106 444 Y CA -0.842 56.980 58.100 -0.464 0.000 1.157 444 Y CB 1.800 39.995 38.460 -0.441 0.000 1.277 444 Y HN -0.247 nan 8.280 nan 0.000 0.490 445 T N 2.863 116.945 114.554 -0.787 0.000 2.812 445 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 445 T C -1.156 173.037 174.700 -0.845 0.000 0.990 445 T CA -0.653 61.047 62.100 -0.667 0.000 0.960 445 T CB 0.189 68.850 68.868 -0.346 0.000 0.948 445 T HN 0.355 nan 8.240 nan 0.000 0.438 446 F N 0.112 120.060 119.950 -0.002 0.000 2.650 446 F HA 0.522 5.049 4.527 -0.000 0.000 0.320 446 F C -0.531 175.301 175.800 0.055 0.000 1.091 446 F CA -1.572 56.410 58.000 -0.030 0.000 0.962 446 F CB 1.180 40.140 39.000 -0.067 0.000 1.363 446 F HN 0.444 nan 8.300 nan 0.000 0.482 447 W N 3.582 124.919 121.300 0.061 0.000 2.446 447 W HA 0.197 4.857 4.660 -0.000 0.000 0.316 447 W C -0.480 176.137 176.519 0.164 0.000 1.376 447 W CA -0.330 57.009 57.345 -0.010 0.000 1.300 447 W CB 0.324 29.596 29.460 -0.314 0.000 1.351 447 W HN 0.459 nan 8.180 nan 0.000 0.530 448 E N 4.224 124.729 120.200 0.509 0.000 2.313 448 E HA 0.293 4.643 4.350 -0.000 0.000 0.276 448 E C -0.745 176.175 176.600 0.533 0.000 1.031 448 E CA -0.383 56.310 56.400 0.488 0.000 0.857 448 E CB 2.029 31.951 29.700 0.369 0.000 1.040 448 E HN 0.184 nan 8.360 nan 0.000 0.408 449 V N 3.381 123.568 119.914 0.455 0.000 2.532 449 V HA 0.169 4.289 4.120 -0.000 0.000 0.294 449 V C -0.046 176.238 176.094 0.316 0.000 1.036 449 V CA -1.024 61.475 62.300 0.330 0.000 0.876 449 V CB 1.661 33.608 31.823 0.205 0.000 1.012 449 V HN 0.541 nan 8.190 nan 0.000 0.432 450 N N 4.644 123.502 118.700 0.263 0.000 2.437 450 N HA 0.360 5.100 4.740 -0.000 0.000 0.243 450 N C 0.258 175.837 175.510 0.115 0.000 1.041 450 N CA -0.273 52.891 53.050 0.189 0.000 0.940 450 N CB 1.484 40.045 38.487 0.123 0.000 1.133 450 N HN 0.732 nan 8.380 nan 0.000 0.506 451 L N 3.466 124.739 121.223 0.083 0.000 2.607 451 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 451 L C 2.012 178.960 176.870 0.130 0.000 1.123 451 L CA -0.080 54.808 54.840 0.080 0.000 0.890 451 L CB 0.129 42.187 42.059 -0.003 0.000 1.103 451 L HN 0.434 nan 8.230 nan 0.000 0.468 452 K N 0.937 121.347 120.400 0.017 0.000 2.000 452 K HA -0.218 4.102 4.320 -0.000 0.000 0.218 452 K C 0.764 177.347 176.600 -0.029 0.000 1.053 452 K CA 1.630 57.856 56.287 -0.102 0.000 0.946 452 K CB -0.095 32.361 32.500 -0.074 0.000 0.723 452 K HN 0.103 nan 8.250 nan 0.000 0.446 453 E N 0.564 120.792 120.200 0.046 0.000 2.303 453 E HA 0.015 4.365 4.350 -0.000 0.000 0.211 453 E C 0.431 177.114 176.600 0.138 0.000 1.223 453 E CA 0.302 56.758 56.400 0.092 0.000 1.344 453 E CB 0.333 30.083 29.700 0.083 0.000 1.299 453 E HN 0.152 nan 8.360 nan 0.000 0.441 454 K N -0.764 119.746 120.400 0.183 0.000 2.462 454 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 454 K C 0.145 176.902 176.600 0.261 0.000 1.268 454 K CA -0.099 56.303 56.287 0.192 0.000 0.933 454 K CB 0.228 32.801 32.500 0.121 0.000 1.162 454 K HN 0.087 nan 8.250 nan 0.000 0.527 455 F N 2.282 122.210 119.950 -0.038 0.000 2.629 455 F HA 0.019 4.546 4.527 -0.000 0.000 0.377 455 F C 0.983 176.969 175.800 0.310 0.000 1.101 455 F CA 0.571 58.590 58.000 0.033 0.000 1.301 455 F CB 0.428 39.244 39.000 -0.307 0.000 1.062 455 F HN -0.220 nan 8.300 nan 0.000 0.583 456 S N 1.289 117.372 115.700 0.637 0.000 2.540 456 S HA 0.720 5.190 4.470 -0.000 0.000 0.275 456 S C 0.283 175.037 174.600 0.256 0.000 1.123 456 S CA -0.103 58.417 58.200 0.534 0.000 0.907 456 S CB 1.523 65.092 63.200 0.615 0.000 1.081 456 S HN 0.736 nan 8.310 nan 0.000 0.476 457 A N 2.390 125.227 122.820 0.029 0.000 1.862 457 A HA 0.181 4.501 4.320 -0.000 0.000 0.211 457 A C 0.426 177.958 177.584 -0.086 0.000 1.220 457 A CA 0.750 52.450 52.037 -0.561 0.000 0.616 457 A CB -0.766 17.987 19.000 -0.411 0.000 0.878 457 A HN 0.897 nan 8.150 nan 0.000 0.453 458 D N 1.386 121.801 120.400 0.025 0.000 2.536 458 D HA 0.028 4.668 4.640 -0.000 0.000 0.260 458 D C 0.422 176.786 176.300 0.106 0.000 1.270 458 D CA 0.207 54.236 54.000 0.048 0.000 0.934 458 D CB 0.098 40.902 40.800 0.006 0.000 1.129 458 D HN 0.422 nan 8.370 nan 0.000 0.533 459 L N 0.994 122.307 121.223 0.150 0.000 2.591 459 L HA 0.003 4.343 4.340 -0.000 0.000 0.228 459 L C 0.759 177.685 176.870 0.092 0.000 1.133 459 L CA 0.130 55.114 54.840 0.240 0.000 0.880 459 L CB -0.280 41.943 42.059 0.272 0.000 1.033 459 L HN 0.144 nan 8.230 nan 0.000 0.450 460 D N -0.026 120.372 120.400 -0.003 0.000 2.390 460 D HA -0.100 4.540 4.640 -0.000 0.000 0.235 460 D C 1.423 177.636 176.300 -0.145 0.000 1.040 460 D CA 0.605 54.571 54.000 -0.057 0.000 0.923 460 D CB 0.112 40.879 40.800 -0.055 0.000 0.886 460 D HN 0.236 nan 8.370 nan 0.000 0.532 461 Q N -0.756 118.868 119.800 -0.294 0.000 2.093 461 Q HA 0.219 4.559 4.340 -0.000 0.000 0.217 461 Q C -0.692 174.763 176.000 -0.908 0.000 0.785 461 Q CA -0.083 55.377 55.803 -0.572 0.000 1.038 461 Q CB 0.866 29.156 28.738 -0.747 0.000 1.190 461 Q HN 0.257 nan 8.270 nan 0.000 0.468 462 F N 0.940 120.805 119.950 -0.141 0.000 2.576 462 F HA 0.383 4.910 4.527 -0.000 0.000 0.313 462 F C -1.484 174.289 175.800 -0.045 0.000 1.078 462 F CA -2.028 55.867 58.000 -0.174 0.000 0.921 462 F CB 1.732 40.435 39.000 -0.496 0.000 1.232 462 F HN -0.249 nan 8.300 nan 0.000 0.459 463 P HA -0.199 nan 4.420 nan 0.000 0.213 463 P C 1.963 179.345 177.300 0.136 0.000 1.170 463 P CA 1.481 64.653 63.100 0.120 0.000 0.898 463 P CB 0.629 32.375 31.700 0.078 0.000 0.787 464 L N -0.400 120.910 121.223 0.144 0.000 2.010 464 L HA -0.209 4.131 4.340 -0.000 0.000 0.219 464 L C 2.676 179.724 176.870 0.297 0.000 1.077 464 L CA 2.453 57.374 54.840 0.135 0.000 0.773 464 L CB -1.432 40.675 42.059 0.081 0.000 0.892 464 L HN 0.069 nan 8.230 nan 0.000 0.436 465 G N -0.743 108.278 108.800 0.370 0.000 2.545 465 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 465 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 465 G C 1.504 176.557 174.900 0.255 0.000 1.218 465 G CA 1.011 46.334 45.100 0.371 0.000 0.787 465 G HN 0.343 nan 8.290 nan 0.000 0.571 466 R N 0.345 120.946 120.500 0.169 0.000 2.140 466 R HA -0.143 4.197 4.340 -0.000 0.000 0.250 466 R C 2.689 179.048 176.300 0.097 0.000 1.150 466 R CA 1.944 58.094 56.100 0.084 0.000 0.966 466 R CB -0.256 30.073 30.300 0.047 0.000 0.869 466 R HN 0.341 nan 8.270 nan 0.000 0.445 467 K N -0.564 119.942 120.400 0.177 0.000 2.031 467 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 467 K C 1.910 178.690 176.600 0.300 0.000 1.049 467 K CA 1.265 57.693 56.287 0.235 0.000 0.939 467 K CB -0.317 32.358 32.500 0.291 0.000 0.717 467 K HN 0.034 nan 8.250 nan 0.000 0.438 468 F N 2.304 122.387 119.950 0.222 0.000 2.043 468 F HA -0.296 4.231 4.527 -0.000 0.000 0.297 468 F C 1.934 177.527 175.800 -0.344 0.000 1.118 468 F CA 1.334 59.217 58.000 -0.196 0.000 1.202 468 F CB -0.800 38.151 39.000 -0.081 0.000 0.965 468 F HN -0.090 nan 8.300 nan 0.000 0.482 469 L N 0.374 121.292 121.223 -0.508 0.000 2.034 469 L HA -0.248 4.092 4.340 -0.000 0.000 0.217 469 L C 2.345 178.963 176.870 -0.420 0.000 1.077 469 L CA 1.837 56.357 54.840 -0.534 0.000 0.769 469 L CB -1.003 40.929 42.059 -0.211 0.000 0.890 469 L HN 0.336 nan 8.230 nan 0.000 0.435 470 L N -1.321 119.755 121.223 -0.245 0.000 2.675 470 L HA -0.103 4.237 4.340 -0.000 0.000 0.238 470 L C 1.870 178.605 176.870 -0.225 0.000 1.155 470 L CA 0.295 55.024 54.840 -0.185 0.000 0.881 470 L CB -0.150 41.863 42.059 -0.077 0.000 1.008 470 L HN 0.493 nan 8.230 nan 0.000 0.443 471 Q N -0.529 119.039 119.800 -0.386 0.000 2.345 471 Q HA 0.201 4.541 4.340 -0.000 0.000 0.176 471 Q C 0.650 176.365 176.000 -0.475 0.000 0.723 471 Q CA -0.181 55.368 55.803 -0.424 0.000 0.743 471 Q CB 0.265 28.651 28.738 -0.586 0.000 1.260 471 Q HN 0.150 nan 8.270 nan 0.000 0.535 472 L N 0.000 120.844 121.223 -0.632 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 472 L CA 0.000 54.559 54.840 -0.467 0.000 0.813 472 L CB 0.000 41.724 42.059 -0.559 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502