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 3eni_1_A DATA FIRST_RESID 8 DATA SEQUENCE VTTAHSDYEI VLEGGSSSWG KVKARAKVNA PPASPLLPAD CDVKLNVKPL DATA SEQUENCE DPAKGFVRIS AVFESIVDST KNKLTIEADI ANETKERRIS VGEGMVSVGD DATA SEQUENCE FSHTFSFEGS VVNLFYYRSD AVRRNVPNPI YMQGRQFHDI LMKVPLDNND DATA SEQUENCE LIDTWEGTVK AIGSTGAFND WIRDFWFIGP AFTALNEGGQ RISRIEVNGL DATA SEQUENCE NTESGPKGPV GVSRWRFSHG GSGMVDSISR WAELFPSDKL NRPAQVEAGF DATA SEQUENCE RSDSQGIEVK VDGEFPGVSV DAGGGLRRIL NHPLIPLVHH GMVGKFNNFN DATA SEQUENCE VDAQLKVVLP KGYKIRYAAP QYRSQNLEEY RWSGGAYARW VEHVCKGGVG DATA SEQUENCE QFEILYAQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 V HA 0.000 nan 4.120 nan 0.000 0.244 8 V C 0.000 176.129 176.094 0.058 0.000 1.182 8 V CA 0.000 62.328 62.300 0.046 0.000 1.235 8 V CB 0.000 31.848 31.823 0.041 0.000 1.184 9 T N 3.538 118.134 114.554 0.069 0.000 2.749 9 T HA 0.633 4.976 4.350 -0.011 0.000 0.295 9 T C 0.055 174.812 174.700 0.095 0.000 0.936 9 T CA 0.283 62.437 62.100 0.089 0.000 1.060 9 T CB 0.515 69.455 68.868 0.121 0.000 0.904 9 T HN 0.955 nan 8.240 nan 0.000 0.500 10 T N 2.848 117.427 114.554 0.041 0.000 2.848 10 T HA 0.649 4.992 4.350 -0.011 0.000 0.285 10 T C -0.372 174.231 174.700 -0.161 0.000 0.995 10 T CA -0.646 61.417 62.100 -0.062 0.000 0.970 10 T CB 1.524 70.298 68.868 -0.156 0.000 0.976 10 T HN 0.648 nan 8.240 nan 0.000 0.441 11 A N 3.300 126.017 122.820 -0.172 0.000 2.260 11 A HA 0.630 4.943 4.320 -0.011 0.000 0.314 11 A C -0.500 176.919 177.584 -0.276 0.000 1.257 11 A CA -0.650 51.268 52.037 -0.198 0.000 0.871 11 A CB 0.315 19.175 19.000 -0.233 0.000 1.166 11 A HN 0.892 nan 8.150 nan 0.000 0.522 12 H N 1.946 121.021 119.070 0.008 0.000 2.511 12 H HA 0.574 5.124 4.556 -0.011 0.000 0.328 12 H C -0.368 174.939 175.328 -0.035 0.000 1.044 12 H CA -0.017 56.034 56.048 0.006 0.000 1.212 12 H CB 1.765 31.531 29.762 0.007 0.000 1.428 12 H HN 0.773 nan 8.280 nan 0.000 0.483 13 S N 2.934 118.644 115.700 0.016 0.000 2.588 13 S HA 0.434 4.897 4.470 -0.011 0.000 0.275 13 S C -1.030 173.365 174.600 -0.342 0.000 1.130 13 S CA -1.028 57.059 58.200 -0.188 0.000 0.855 13 S CB 3.273 66.321 63.200 -0.254 0.000 1.116 13 S HN 0.590 nan 8.310 nan 0.000 0.472 14 D N 0.675 120.759 120.400 -0.527 0.000 2.936 14 D HA 0.435 5.068 4.640 -0.011 0.000 0.238 14 D C -1.847 174.181 176.300 -0.454 0.000 1.248 14 D CA -0.105 53.667 54.000 -0.379 0.000 0.903 14 D CB 1.678 42.407 40.800 -0.118 0.000 1.544 14 D HN 0.562 nan 8.370 nan 0.000 0.543 15 Y N 0.772 121.162 120.300 0.151 0.000 2.462 15 Y HA 0.464 5.007 4.550 -0.011 0.000 0.346 15 Y C 0.147 176.108 175.900 0.102 0.000 0.976 15 Y CA -0.967 57.212 58.100 0.131 0.000 1.044 15 Y CB 1.928 40.488 38.460 0.167 0.000 1.230 15 Y HN 0.206 nan 8.280 nan 0.000 0.455 16 E N 3.079 123.413 120.200 0.222 0.000 2.290 16 E HA 0.672 5.015 4.350 -0.011 0.000 0.274 16 E C -1.985 174.666 176.600 0.084 0.000 0.889 16 E CA -0.546 55.933 56.400 0.132 0.000 0.760 16 E CB 1.610 31.363 29.700 0.090 0.000 1.206 16 E HN 0.707 nan 8.360 nan 0.000 0.419 17 I N 3.891 124.487 120.570 0.044 0.000 2.466 17 I HA 0.361 4.524 4.170 -0.011 0.000 0.289 17 I C -0.865 175.233 176.117 -0.033 0.000 1.026 17 I CA -1.174 60.118 61.300 -0.014 0.000 1.078 17 I CB 1.976 39.945 38.000 -0.052 0.000 1.249 17 I HN 0.266 nan 8.210 nan 0.000 0.429 18 V N 7.080 126.964 119.914 -0.050 0.000 2.357 18 V HA 0.419 4.532 4.120 -0.011 0.000 0.284 18 V C 0.137 176.181 176.094 -0.083 0.000 1.018 18 V CA -0.482 61.784 62.300 -0.056 0.000 0.841 18 V CB 1.569 33.370 31.823 -0.037 0.000 0.991 18 V HN 0.502 nan 8.190 nan 0.000 0.437 19 L N 3.900 125.053 121.223 -0.118 0.000 2.357 19 L HA 0.528 4.861 4.340 -0.011 0.000 0.273 19 L C 0.525 177.334 176.870 -0.101 0.000 1.080 19 L CA -0.380 54.383 54.840 -0.129 0.000 0.803 19 L CB 1.139 43.061 42.059 -0.228 0.000 1.174 19 L HN 0.577 nan 8.230 nan 0.000 0.443 20 E N 0.379 120.548 120.200 -0.052 0.000 2.283 20 E HA 0.330 4.673 4.350 -0.011 0.000 0.271 20 E C -0.064 176.494 176.600 -0.071 0.000 1.031 20 E CA -0.528 55.848 56.400 -0.041 0.000 0.868 20 E CB 1.558 31.265 29.700 0.012 0.000 1.094 20 E HN 0.744 nan 8.360 nan 0.000 0.401 21 G N 0.503 109.267 108.800 -0.060 0.000 2.606 21 G HA2 0.460 4.413 3.960 -0.011 0.000 0.252 21 G HA3 0.460 4.413 3.960 -0.011 0.000 0.252 21 G C 0.339 175.253 174.900 0.024 0.000 1.206 21 G CA 0.278 45.347 45.100 -0.051 0.000 0.861 21 G HN 0.733 nan 8.290 nan 0.000 0.561 22 G N -1.136 107.725 108.800 0.102 0.000 2.632 22 G HA2 0.517 4.471 3.960 -0.011 0.000 0.224 22 G HA3 0.517 4.471 3.960 -0.011 0.000 0.224 22 G C 0.130 175.082 174.900 0.087 0.000 1.341 22 G CA 0.548 45.727 45.100 0.131 0.000 0.880 22 G HN 2.557 nan 8.290 nan 0.000 0.566 23 S N -2.619 113.126 115.700 0.075 0.000 0.000 23 S HA 0.965 5.428 4.470 -0.011 0.000 0.000 23 S C -0.210 nan 174.600 nan 0.000 0.000 23 S CA 1.023 nan 58.200 nan 0.000 0.000 23 S CB 0.831 nan 63.200 nan 0.000 0.000 23 S HN 2.564 nan 8.310 nan 0.000 0.000 24 S N 0.027 115.781 115.700 0.090 0.000 0.000 24 S HA 0.515 4.978 4.470 -0.011 0.000 0.000 24 S C -0.045 174.641 174.600 0.143 0.000 0.000 24 S CA 0.661 58.953 58.200 0.153 0.000 0.000 24 S CB 0.364 63.639 63.200 0.124 0.000 0.000 24 S HN 2.044 nan 8.310 nan 0.000 0.000 25 S N 2.702 118.497 115.700 0.159 0.000 2.557 25 S HA 0.285 4.748 4.470 -0.011 0.000 0.223 25 S C 0.216 174.855 174.600 0.064 0.000 0.969 25 S CA -0.515 57.728 58.200 0.070 0.000 0.927 25 S CB -0.338 62.863 63.200 0.001 0.000 0.806 25 S HN 0.626 nan 8.310 nan 0.000 0.489 26 W N 1.797 123.066 121.300 -0.052 0.000 2.158 26 W HA 0.565 5.219 4.660 -0.009 0.000 0.339 26 W C 0.904 177.334 176.519 -0.148 0.000 1.294 26 W CA 0.921 58.210 57.345 -0.093 0.000 1.231 26 W CB 0.358 29.768 29.460 -0.083 0.000 1.143 26 W HN 0.350 nan 8.180 nan 0.000 0.571 27 G N 1.573 110.358 108.800 -0.024 0.000 2.704 27 G HA2 0.556 4.510 3.960 -0.011 0.000 0.293 27 G HA3 0.556 4.510 3.960 -0.011 0.000 0.293 27 G C -1.810 172.932 174.900 -0.263 0.000 1.421 27 G CA -1.180 43.837 45.100 -0.138 0.000 0.870 27 G HN 0.252 nan 8.290 nan 0.000 0.492 28 K N 0.340 120.636 120.400 -0.172 0.000 2.206 28 K HA 0.635 4.948 4.320 -0.011 0.000 0.264 28 K C -0.902 175.616 176.600 -0.136 0.000 0.967 28 K CA -0.649 55.543 56.287 -0.157 0.000 0.844 28 K CB 2.472 34.935 32.500 -0.062 0.000 1.099 28 K HN 0.219 nan 8.250 nan 0.000 0.441 29 V N 2.304 122.147 119.914 -0.118 0.000 2.540 29 V HA 0.356 4.469 4.120 -0.011 0.000 0.302 29 V C -0.573 175.561 176.094 0.066 0.000 1.035 29 V CA -0.899 61.400 62.300 -0.003 0.000 0.873 29 V CB 1.743 33.600 31.823 0.056 0.000 0.992 29 V HN 0.503 nan 8.190 nan 0.000 0.428 30 K N 2.080 122.536 120.400 0.093 0.000 2.371 30 K HA 0.936 5.249 4.320 -0.011 0.000 0.251 30 K C -0.572 176.125 176.600 0.161 0.000 0.934 30 K CA -0.297 56.055 56.287 0.107 0.000 0.798 30 K CB 2.249 34.795 32.500 0.076 0.000 1.204 30 K HN 1.177 nan 8.250 nan 0.000 0.427 31 A N 2.364 125.283 122.820 0.165 0.000 2.488 31 A HA 0.820 5.134 4.320 -0.011 0.000 0.298 31 A C -1.149 176.510 177.584 0.125 0.000 1.044 31 A CA -0.914 51.252 52.037 0.214 0.000 0.693 31 A CB 1.335 20.536 19.000 0.336 0.000 1.272 31 A HN 0.561 nan 8.150 nan 0.000 0.402 32 R N 0.526 121.055 120.500 0.049 0.000 2.628 32 R HA 0.848 5.182 4.340 -0.011 0.000 0.288 32 R C -0.903 175.399 176.300 0.003 0.000 0.980 32 R CA -0.457 55.663 56.100 0.033 0.000 0.891 32 R CB 2.197 32.504 30.300 0.012 0.000 1.188 32 R HN 1.319 nan 8.270 nan 0.000 0.450 33 A N 0.802 123.650 122.820 0.047 0.000 2.547 33 A HA 0.616 4.929 4.320 -0.011 0.000 0.297 33 A C -1.188 176.434 177.584 0.063 0.000 1.056 33 A CA -0.752 51.312 52.037 0.045 0.000 0.688 33 A CB 1.947 20.989 19.000 0.070 0.000 1.282 33 A HN 0.516 nan 8.150 nan 0.000 0.400 34 K N 0.197 120.642 120.400 0.075 0.000 2.535 34 K HA 0.800 5.114 4.320 -0.011 0.000 0.251 34 K C -2.107 174.543 176.600 0.084 0.000 0.942 34 K CA -0.185 56.154 56.287 0.087 0.000 0.798 34 K CB 0.963 33.521 32.500 0.096 0.000 1.267 34 K HN 2.159 nan 8.250 nan 0.000 0.434 35 V N 3.486 123.427 119.914 0.044 0.000 2.686 35 V HA 0.519 4.632 4.120 -0.011 0.000 0.306 35 V C -1.119 174.993 176.094 0.031 0.000 1.065 35 V CA -0.602 61.703 62.300 0.007 0.000 0.894 35 V CB 2.073 33.841 31.823 -0.090 0.000 1.004 35 V HN 1.121 nan 8.190 nan 0.000 0.424 36 N N 5.282 124.009 118.700 0.045 0.000 3.331 36 N HA 0.492 5.226 4.740 -0.011 0.000 0.303 36 N C -0.456 175.080 175.510 0.042 0.000 1.326 36 N CA 0.188 53.269 53.050 0.051 0.000 1.207 36 N CB 1.009 39.536 38.487 0.067 0.000 1.477 36 N HN 0.843 nan 8.380 nan 0.000 0.541 37 A N 0.967 123.805 122.820 0.030 0.000 2.475 37 A HA 0.714 5.027 4.320 -0.011 0.000 0.301 37 A C -2.868 174.736 177.584 0.033 0.000 1.059 37 A CA -1.461 50.598 52.037 0.037 0.000 0.710 37 A CB 1.861 20.882 19.000 0.035 0.000 1.288 37 A HN 0.254 nan 8.150 nan 0.000 0.408 38 P HA 0.356 nan 4.420 nan 0.000 0.275 38 P C -2.650 174.671 177.300 0.035 0.000 1.228 38 P CA -0.982 62.138 63.100 0.032 0.000 0.786 38 P CB 0.163 31.877 31.700 0.024 0.000 0.927 39 P HA 0.161 nan 4.420 nan 0.000 0.276 39 P C -0.248 177.066 177.300 0.024 0.000 1.244 39 P CA -0.484 62.624 63.100 0.014 0.000 0.801 39 P CB 0.541 32.239 31.700 -0.003 0.000 1.006 40 A N 0.966 123.811 122.820 0.043 0.000 3.019 40 A HA 0.243 4.556 4.320 -0.011 0.000 0.262 40 A C 0.766 178.350 177.584 0.001 0.000 1.509 40 A CA 0.027 52.082 52.037 0.029 0.000 1.159 40 A CB -1.081 18.009 19.000 0.151 0.000 1.042 40 A HN 0.446 nan 8.150 nan 0.000 0.641 41 S N 0.767 116.468 115.700 0.001 0.000 2.451 41 S HA 0.540 5.003 4.470 -0.011 0.000 0.301 41 S C -1.516 173.082 174.600 -0.003 0.000 1.116 41 S CA -1.331 56.873 58.200 0.008 0.000 1.093 41 S CB 1.052 64.272 63.200 0.033 0.000 1.017 41 S HN 0.327 nan 8.310 nan 0.000 0.482 42 P HA 0.199 nan 4.420 nan 0.000 0.245 42 P C -0.483 176.814 177.300 -0.005 0.000 1.212 42 P CA 0.374 63.463 63.100 -0.018 0.000 0.774 42 P CB 0.031 31.715 31.700 -0.026 0.000 0.999 43 L N 0.248 121.477 121.223 0.009 0.000 2.376 43 L HA 0.470 4.804 4.340 -0.011 0.000 0.275 43 L C -0.295 176.596 176.870 0.034 0.000 0.987 43 L CA -0.609 54.242 54.840 0.019 0.000 0.828 43 L CB 2.108 44.179 42.059 0.021 0.000 1.249 43 L HN -0.206 nan 8.230 nan 0.000 0.409 44 L N 4.181 125.423 121.223 0.032 0.000 2.371 44 L HA 0.673 5.006 4.340 -0.011 0.000 0.262 44 L C -2.223 174.670 176.870 0.038 0.000 1.006 44 L CA -1.679 53.187 54.840 0.044 0.000 0.818 44 L CB 2.888 44.969 42.059 0.037 0.000 1.354 44 L HN 0.364 nan 8.230 nan 0.000 0.415 45 P HA 0.453 nan 4.420 nan 0.000 0.279 45 P C -1.518 175.830 177.300 0.081 0.000 1.276 45 P CA -0.546 62.592 63.100 0.064 0.000 0.801 45 P CB 1.266 33.000 31.700 0.057 0.000 1.127 46 A N 0.814 123.709 122.820 0.124 0.000 2.414 46 A HA 0.552 4.865 4.320 -0.011 0.000 0.286 46 A C -1.311 176.386 177.584 0.189 0.000 1.073 46 A CA -0.510 51.625 52.037 0.164 0.000 0.727 46 A CB 0.752 19.893 19.000 0.235 0.000 1.215 46 A HN 0.391 nan 8.150 nan 0.000 0.430 47 D N 0.508 120.909 120.400 0.002 0.000 2.457 47 D HA 0.657 5.290 4.640 -0.011 0.000 0.240 47 D C -1.092 174.949 176.300 -0.431 0.000 1.041 47 D CA -0.041 53.839 54.000 -0.201 0.000 0.861 47 D CB 2.078 42.820 40.800 -0.097 0.000 1.394 47 D HN 0.564 nan 8.370 nan 0.000 0.473 48 C N 1.398 120.204 119.300 -0.823 0.000 2.985 48 C HA 0.480 4.933 4.460 -0.011 0.000 0.332 48 C C -1.882 172.863 174.990 -0.409 0.000 1.164 48 C CA -0.479 58.184 59.018 -0.590 0.000 1.347 48 C CB 1.487 28.798 27.740 -0.715 0.000 1.764 48 C HN 0.524 nan 8.230 nan 0.000 0.489 49 D N 2.859 123.152 120.400 -0.179 0.000 2.619 49 D HA 0.682 5.316 4.640 -0.011 0.000 0.241 49 D C -0.996 175.251 176.300 -0.088 0.000 1.087 49 D CA -0.023 53.913 54.000 -0.106 0.000 0.851 49 D CB 2.334 43.089 40.800 -0.075 0.000 1.474 49 D HN 0.445 nan 8.370 nan 0.000 0.478 50 V N 0.462 120.311 119.914 -0.107 0.000 2.789 50 V HA 0.640 4.754 4.120 -0.011 0.000 0.311 50 V C -0.228 175.752 176.094 -0.191 0.000 1.073 50 V CA -0.785 61.371 62.300 -0.240 0.000 0.921 50 V CB 2.277 33.961 31.823 -0.232 0.000 1.009 50 V HN 0.307 nan 8.190 nan 0.000 0.426 51 K N 4.306 124.552 120.400 -0.256 0.000 2.535 51 K HA 0.789 5.102 4.320 -0.011 0.000 0.250 51 K C -1.698 174.803 176.600 -0.165 0.000 0.948 51 K CA -0.392 55.808 56.287 -0.144 0.000 0.796 51 K CB 1.568 34.015 32.500 -0.088 0.000 1.216 51 K HN 0.709 nan 8.250 nan 0.000 0.432 52 L N 3.391 124.559 121.223 -0.093 0.000 2.381 52 L HA 0.650 4.983 4.340 -0.011 0.000 0.268 52 L C -0.533 176.339 176.870 0.004 0.000 0.997 52 L CA -0.966 53.841 54.840 -0.056 0.000 0.818 52 L CB 2.577 44.602 42.059 -0.058 0.000 1.310 52 L HN 0.721 nan 8.230 nan 0.000 0.416 53 N N 1.102 119.818 118.700 0.025 0.000 2.264 53 N HA 0.716 5.450 4.740 -0.011 0.000 0.288 53 N C -1.731 173.820 175.510 0.068 0.000 1.094 53 N CA -0.463 52.620 53.050 0.055 0.000 0.817 53 N CB 3.311 41.827 38.487 0.049 0.000 1.604 53 N HN 0.237 nan 8.380 nan 0.000 0.473 54 V N 1.216 121.183 119.914 0.088 0.000 2.888 54 V HA 0.701 4.815 4.120 -0.011 0.000 0.309 54 V C -1.707 174.455 176.094 0.113 0.000 1.114 54 V CA -0.522 61.837 62.300 0.099 0.000 0.940 54 V CB 1.761 33.642 31.823 0.097 0.000 1.021 54 V HN 0.757 nan 8.190 nan 0.000 0.426 55 K N 5.069 125.534 120.400 0.109 0.000 2.502 55 K HA 0.709 5.023 4.320 -0.011 0.000 0.257 55 K C -3.238 173.426 176.600 0.107 0.000 0.938 55 K CA -2.054 54.298 56.287 0.108 0.000 0.819 55 K CB 2.294 34.846 32.500 0.087 0.000 1.333 55 K HN 0.365 nan 8.250 nan 0.000 0.434 56 P HA -0.011 nan 4.420 nan 0.000 0.267 56 P C -0.282 177.073 177.300 0.091 0.000 1.205 56 P CA -0.406 62.751 63.100 0.094 0.000 0.765 56 P CB 0.559 32.308 31.700 0.082 0.000 0.828 57 L N 2.924 124.215 121.223 0.113 0.000 2.546 57 L HA 0.368 4.701 4.340 -0.011 0.000 0.182 57 L C 0.177 177.099 176.870 0.087 0.000 1.167 57 L CA 1.646 56.546 54.840 0.100 0.000 0.845 57 L CB -0.228 41.915 42.059 0.140 0.000 1.134 57 L HN 0.273 nan 8.230 nan 0.000 0.500 58 D N -1.301 119.178 120.400 0.131 0.000 2.330 58 D HA 0.277 4.910 4.640 -0.011 0.000 0.249 58 D C -2.200 174.175 176.300 0.126 0.000 1.306 58 D CA -1.876 52.190 54.000 0.110 0.000 0.956 58 D CB 1.319 42.178 40.800 0.097 0.000 1.261 58 D HN -0.080 nan 8.370 nan 0.000 0.544 59 P HA -0.076 nan 4.420 nan 0.000 0.221 59 P C 1.124 178.457 177.300 0.056 0.000 1.145 59 P CA 1.071 64.207 63.100 0.060 0.000 0.795 59 P CB 0.301 32.026 31.700 0.042 0.000 0.775 60 A N 0.421 123.279 122.820 0.064 0.000 1.898 60 A HA -0.171 4.142 4.320 -0.011 0.000 0.216 60 A C 2.071 179.699 177.584 0.074 0.000 1.181 60 A CA 2.093 54.164 52.037 0.057 0.000 0.620 60 A CB -0.880 18.151 19.000 0.050 0.000 0.819 60 A HN 0.324 nan 8.150 nan 0.000 0.442 61 K N -2.011 118.463 120.400 0.124 0.000 2.372 61 K HA 0.426 4.739 4.320 -0.011 0.000 0.200 61 K C 1.082 177.755 176.600 0.121 0.000 1.022 61 K CA 0.961 57.346 56.287 0.163 0.000 1.125 61 K CB -0.852 31.814 32.500 0.276 0.000 0.855 61 K HN 1.903 nan 8.250 nan 0.000 0.524 62 G N 0.266 109.116 108.800 0.084 0.000 2.153 62 G HA2 -0.248 3.706 3.960 -0.011 0.000 0.252 62 G HA3 -0.248 3.706 3.960 -0.011 0.000 0.252 62 G C -0.139 174.755 174.900 -0.011 0.000 0.994 62 G CA 0.217 45.319 45.100 0.003 0.000 0.698 62 G HN 0.509 nan 8.290 nan 0.000 0.521 63 F N 0.115 120.102 119.950 0.060 0.000 2.412 63 F HA 0.543 5.063 4.527 -0.011 0.000 0.348 63 F C 0.953 176.804 175.800 0.085 0.000 1.102 63 F CA 0.208 58.258 58.000 0.082 0.000 1.196 63 F CB 1.584 40.616 39.000 0.053 0.000 1.144 63 F HN 0.372 nan 8.300 nan 0.000 0.541 64 V N 1.876 121.974 119.914 0.307 0.000 2.962 64 V HA 0.686 4.799 4.120 -0.011 0.000 0.313 64 V C -0.973 175.262 176.094 0.235 0.000 1.099 64 V CA -1.257 61.181 62.300 0.230 0.000 0.971 64 V CB 1.987 33.929 31.823 0.198 0.000 1.028 64 V HN 0.776 nan 8.190 nan 0.000 0.430 65 R N 2.840 123.442 120.500 0.169 0.000 2.343 65 R HA 0.760 5.093 4.340 -0.011 0.000 0.320 65 R C -1.227 175.146 176.300 0.123 0.000 0.956 65 R CA -0.566 55.617 56.100 0.139 0.000 0.836 65 R CB 1.484 31.841 30.300 0.096 0.000 1.151 65 R HN 1.001 nan 8.270 nan 0.000 0.450 66 I N 3.482 124.126 120.570 0.124 0.000 2.493 66 I HA 0.453 4.616 4.170 -0.011 0.000 0.298 66 I C -1.064 175.115 176.117 0.103 0.000 0.998 66 I CA -0.323 61.044 61.300 0.112 0.000 1.137 66 I CB 1.825 39.894 38.000 0.116 0.000 1.310 66 I HN 0.885 nan 8.210 nan 0.000 0.445 67 S N 6.197 121.947 115.700 0.083 0.000 2.538 67 S HA 0.921 5.384 4.470 -0.011 0.000 0.288 67 S C -0.943 173.690 174.600 0.055 0.000 1.108 67 S CA -0.596 57.650 58.200 0.076 0.000 0.971 67 S CB 1.849 65.082 63.200 0.056 0.000 1.041 67 S HN 0.916 nan 8.310 nan 0.000 0.483 68 A N 2.245 125.110 122.820 0.074 0.000 2.414 68 A HA 0.845 5.158 4.320 -0.011 0.000 0.306 68 A C -1.145 176.445 177.584 0.010 0.000 1.054 68 A CA -0.816 51.227 52.037 0.011 0.000 0.724 68 A CB 1.747 20.824 19.000 0.128 0.000 1.267 68 A HN 1.173 nan 8.150 nan 0.000 0.418 69 V N 1.760 121.581 119.914 -0.155 0.000 2.577 69 V HA 0.562 4.675 4.120 -0.011 0.000 0.303 69 V C -1.357 174.582 176.094 -0.259 0.000 1.042 69 V CA -0.278 61.981 62.300 -0.068 0.000 0.872 69 V CB 1.331 33.127 31.823 -0.044 0.000 0.998 69 V HN 0.739 nan 8.190 nan 0.000 0.423 70 F N 2.264 122.237 119.950 0.038 0.000 2.493 70 F HA 0.634 5.155 4.527 -0.010 0.000 0.329 70 F C 0.349 176.156 175.800 0.013 0.000 1.126 70 F CA -0.403 57.614 58.000 0.028 0.000 0.937 70 F CB 1.924 40.951 39.000 0.044 0.000 1.146 70 F HN 0.404 nan 8.300 nan 0.000 0.442 71 E N 1.746 122.022 120.200 0.127 0.000 2.256 71 E HA 0.605 4.948 4.350 -0.011 0.000 0.268 71 E C -1.279 175.334 176.600 0.022 0.000 0.877 71 E CA -0.660 55.780 56.400 0.067 0.000 0.757 71 E CB 2.365 32.078 29.700 0.021 0.000 1.183 71 E HN 0.647 nan 8.360 nan 0.000 0.418 72 S N 2.577 118.290 115.700 0.022 0.000 2.638 72 S HA 0.671 5.134 4.470 -0.011 0.000 0.274 72 S C -0.807 173.792 174.600 -0.002 0.000 1.157 72 S CA -0.838 57.351 58.200 -0.018 0.000 0.826 72 S CB 1.205 64.404 63.200 -0.002 0.000 1.139 72 S HN 0.397 nan 8.310 nan 0.000 0.474 73 I N 1.588 122.151 120.570 -0.012 0.000 2.468 73 I HA 0.466 4.629 4.170 -0.011 0.000 0.285 73 I C -1.390 174.742 176.117 0.025 0.000 1.039 73 I CA -0.904 60.402 61.300 0.010 0.000 1.074 73 I CB 2.048 40.051 38.000 0.005 0.000 1.228 73 I HN 0.452 nan 8.210 nan 0.000 0.436 74 V N 4.935 124.870 119.914 0.036 0.000 2.407 74 V HA 0.242 4.356 4.120 -0.011 0.000 0.291 74 V C 0.127 176.244 176.094 0.037 0.000 1.018 74 V CA -0.392 61.935 62.300 0.046 0.000 0.842 74 V CB 1.381 33.236 31.823 0.053 0.000 0.996 74 V HN 0.893 nan 8.190 nan 0.000 0.426 75 D N 4.948 125.370 120.400 0.037 0.000 2.701 75 D HA -0.258 4.375 4.640 -0.011 0.000 0.235 75 D C 1.107 177.423 176.300 0.025 0.000 1.155 75 D CA 1.887 55.905 54.000 0.029 0.000 0.649 75 D CB -0.798 40.017 40.800 0.025 0.000 1.050 75 D HN 1.629 nan 8.370 nan 0.000 0.425 76 S N -3.839 111.877 115.700 0.026 0.000 2.691 76 S HA -0.254 4.209 4.470 -0.011 0.000 0.262 76 S C 0.454 175.069 174.600 0.025 0.000 1.284 76 S CA 1.596 59.810 58.200 0.023 0.000 1.372 76 S CB -1.998 61.215 63.200 0.021 0.000 1.693 76 S HN 0.574 nan 8.310 nan 0.000 0.647 77 T N 3.692 118.263 114.554 0.029 0.000 2.780 77 T HA 0.437 4.780 4.350 -0.011 0.000 0.294 77 T C -0.093 174.628 174.700 0.035 0.000 0.949 77 T CA -0.353 61.767 62.100 0.033 0.000 1.074 77 T CB 1.197 70.086 68.868 0.035 0.000 0.910 77 T HN 0.365 nan 8.240 nan 0.000 0.501 78 K N 4.357 124.779 120.400 0.037 0.000 2.227 78 K HA 0.336 4.649 4.320 -0.011 0.000 0.280 78 K C -0.013 176.615 176.600 0.047 0.000 1.041 78 K CA -0.666 55.642 56.287 0.036 0.000 0.905 78 K CB 0.689 33.208 32.500 0.032 0.000 1.068 78 K HN 0.574 nan 8.250 nan 0.000 0.470 79 N N 2.879 121.608 118.700 0.048 0.000 2.265 79 N HA 0.402 5.135 4.740 -0.011 0.000 0.300 79 N C -1.153 174.396 175.510 0.066 0.000 1.148 79 N CA -0.802 52.285 53.050 0.060 0.000 0.772 79 N CB 2.627 41.149 38.487 0.058 0.000 1.434 79 N HN 0.408 nan 8.380 nan 0.000 0.481 80 K N 0.916 121.362 120.400 0.076 0.000 2.557 80 K HA 0.492 4.805 4.320 -0.011 0.000 0.257 80 K C -2.182 174.483 176.600 0.108 0.000 0.933 80 K CA -0.597 55.745 56.287 0.092 0.000 0.820 80 K CB 1.924 34.463 32.500 0.066 0.000 1.330 80 K HN 0.500 nan 8.250 nan 0.000 0.432 81 L N 2.847 124.172 121.223 0.169 0.000 2.436 81 L HA 0.638 4.971 4.340 -0.011 0.000 0.268 81 L C -1.381 175.645 176.870 0.260 0.000 0.974 81 L CA 0.038 54.994 54.840 0.194 0.000 0.826 81 L CB 2.290 44.441 42.059 0.153 0.000 1.291 81 L HN 0.830 nan 8.230 nan 0.000 0.406 82 T N 2.758 117.430 114.554 0.197 0.000 2.893 82 T HA 0.781 5.125 4.350 -0.011 0.000 0.291 82 T C -0.758 174.052 174.700 0.185 0.000 1.028 82 T CA -0.612 61.588 62.100 0.168 0.000 0.995 82 T CB 1.687 70.596 68.868 0.069 0.000 1.051 82 T HN 0.745 nan 8.240 nan 0.000 0.470 83 I N 0.235 120.926 120.570 0.202 0.000 2.752 83 I HA 0.603 4.766 4.170 -0.011 0.000 0.295 83 I C -1.652 174.571 176.117 0.177 0.000 1.219 83 I CA -0.542 60.897 61.300 0.231 0.000 1.030 83 I CB 2.087 40.314 38.000 0.378 0.000 1.259 83 I HN 0.796 nan 8.210 nan 0.000 0.423 84 E N 6.050 126.343 120.200 0.155 0.000 2.246 84 E HA 0.763 5.106 4.350 -0.011 0.000 0.266 84 E C -1.499 175.182 176.600 0.136 0.000 0.880 84 E CA -1.004 55.465 56.400 0.115 0.000 0.762 84 E CB 2.249 31.977 29.700 0.048 0.000 1.180 84 E HN 0.729 nan 8.360 nan 0.000 0.416 85 A N 3.045 125.950 122.820 0.141 0.000 2.572 85 A HA 0.547 4.860 4.320 -0.011 0.000 0.295 85 A C -1.493 176.166 177.584 0.125 0.000 1.072 85 A CA -0.874 51.244 52.037 0.134 0.000 0.691 85 A CB 1.552 20.724 19.000 0.286 0.000 1.291 85 A HN 0.469 nan 8.150 nan 0.000 0.404 86 D N 1.097 121.569 120.400 0.121 0.000 2.256 86 D HA 0.664 5.297 4.640 -0.011 0.000 0.240 86 D C -0.674 175.811 176.300 0.309 0.000 1.062 86 D CA 0.363 54.511 54.000 0.247 0.000 0.832 86 D CB 1.416 42.335 40.800 0.199 0.000 1.135 86 D HN 0.435 nan 8.370 nan 0.000 0.484 87 I N 1.052 121.766 120.570 0.240 0.000 2.647 87 I HA 0.741 4.905 4.170 -0.011 0.000 0.295 87 I C -0.540 175.413 176.117 -0.273 0.000 1.078 87 I CA -0.860 60.418 61.300 -0.038 0.000 1.048 87 I CB 2.145 40.039 38.000 -0.176 0.000 1.239 87 I HN 0.356 nan 8.210 nan 0.000 0.421 88 A N 4.083 126.606 122.820 -0.495 0.000 2.574 88 A HA 0.607 4.920 4.320 -0.011 0.000 0.297 88 A C -1.440 176.005 177.584 -0.232 0.000 1.062 88 A CA -0.776 50.950 52.037 -0.518 0.000 0.686 88 A CB 1.483 19.616 19.000 -1.444 0.000 1.285 88 A HN 0.621 nan 8.150 nan 0.000 0.403 89 N N 0.902 119.580 118.700 -0.037 0.000 2.520 89 N HA 0.208 4.942 4.740 -0.011 0.000 0.273 89 N C 0.602 176.087 175.510 -0.042 0.000 1.155 89 N CA 0.028 53.078 53.050 0.001 0.000 0.967 89 N CB 1.665 40.183 38.487 0.052 0.000 1.092 89 N HN 0.783 nan 8.380 nan 0.000 0.457 90 E N -0.143 120.054 120.200 -0.006 0.000 2.132 90 E HA 0.004 4.347 4.350 -0.011 0.000 0.193 90 E C 0.399 177.013 176.600 0.023 0.000 0.951 90 E CA 0.753 57.155 56.400 0.003 0.000 0.843 90 E CB 0.425 30.132 29.700 0.012 0.000 0.807 90 E HN 0.760 nan 8.360 nan 0.000 0.467 91 T N -2.006 112.574 114.554 0.043 0.000 2.693 91 T HA 0.206 4.550 4.350 -0.011 0.000 0.278 91 T C 0.771 175.524 174.700 0.089 0.000 0.994 91 T CA -0.730 61.399 62.100 0.049 0.000 1.033 91 T CB 1.416 70.304 68.868 0.034 0.000 1.342 91 T HN -0.035 nan 8.240 nan 0.000 0.538 92 K N 0.038 120.493 120.400 0.091 0.000 2.288 92 K HA 0.050 4.363 4.320 -0.011 0.000 0.201 92 K C 1.264 178.009 176.600 0.243 0.000 1.048 92 K CA 1.295 57.670 56.287 0.146 0.000 0.956 92 K CB -0.099 32.467 32.500 0.110 0.000 0.746 92 K HN 0.638 nan 8.250 nan 0.000 0.461 93 E N 0.366 120.643 120.200 0.129 0.000 2.389 93 E HA 0.112 4.455 4.350 -0.011 0.000 0.199 93 E C 0.095 176.718 176.600 0.038 0.000 0.978 93 E CA -0.095 56.309 56.400 0.006 0.000 0.912 93 E CB 0.638 30.258 29.700 -0.132 0.000 0.907 93 E HN 0.112 nan 8.360 nan 0.000 0.494 94 R N 1.192 121.759 120.500 0.113 0.000 2.387 94 R HA 0.440 4.773 4.340 -0.011 0.000 0.314 94 R C -0.974 175.419 176.300 0.155 0.000 0.958 94 R CA -0.529 55.627 56.100 0.094 0.000 0.846 94 R CB 1.038 31.348 30.300 0.016 0.000 1.147 94 R HN -0.108 nan 8.270 nan 0.000 0.447 95 R N 5.156 125.762 120.500 0.177 0.000 2.750 95 R HA 0.522 4.856 4.340 -0.011 0.000 0.281 95 R C -0.736 175.566 176.300 0.002 0.000 0.972 95 R CA -0.714 55.428 56.100 0.070 0.000 0.912 95 R CB 1.279 31.613 30.300 0.057 0.000 1.187 95 R HN 0.701 nan 8.270 nan 0.000 0.464 96 I N -0.432 120.105 120.570 -0.055 0.000 2.892 96 I HA 0.718 4.881 4.170 -0.011 0.000 0.306 96 I C -1.035 175.081 176.117 -0.003 0.000 1.078 96 I CA -0.747 60.547 61.300 -0.011 0.000 1.032 96 I CB 2.456 40.472 38.000 0.027 0.000 1.229 96 I HN 0.741 nan 8.210 nan 0.000 0.435 97 S N 3.156 118.901 115.700 0.076 0.000 2.550 97 S HA 0.786 5.249 4.470 -0.011 0.000 0.270 97 S C -1.415 173.213 174.600 0.047 0.000 1.145 97 S CA -0.717 57.553 58.200 0.117 0.000 0.852 97 S CB 2.051 65.376 63.200 0.207 0.000 1.119 97 S HN 0.907 nan 8.310 nan 0.000 0.465 98 V N 1.004 120.868 119.914 -0.084 0.000 2.777 98 V HA 0.897 5.010 4.120 -0.011 0.000 0.306 98 V C 0.073 175.845 176.094 -0.538 0.000 1.112 98 V CA 0.800 62.890 62.300 -0.350 0.000 0.917 98 V CB 1.402 33.143 31.823 -0.136 0.000 1.018 98 V HN 1.693 nan 8.190 nan 0.000 0.426 99 G N 4.889 113.053 108.800 -1.061 0.000 2.561 99 G HA2 0.753 4.706 3.960 -0.011 0.000 0.310 99 G HA3 0.753 4.706 3.960 -0.011 0.000 0.310 99 G C -1.378 173.323 174.900 -0.332 0.000 1.292 99 G CA 0.113 44.869 45.100 -0.575 0.000 0.811 99 G HN 1.095 nan 8.290 nan 0.000 0.482 100 E N -1.787 118.411 120.200 -0.004 0.000 2.437 100 E HA 0.686 5.029 4.350 -0.011 0.000 0.280 100 E C -0.389 176.059 176.600 -0.254 0.000 1.044 100 E CA -0.591 55.765 56.400 -0.074 0.000 0.826 100 E CB 1.602 31.223 29.700 -0.132 0.000 1.358 100 E HN 1.756 nan 8.360 nan 0.000 0.459 101 G N 0.292 108.557 108.800 -0.892 0.000 2.427 101 G HA2 0.505 4.458 3.960 -0.011 0.000 0.306 101 G HA3 0.505 4.458 3.960 -0.011 0.000 0.306 101 G C -1.721 172.577 174.900 -1.003 0.000 1.280 101 G CA -0.526 44.071 45.100 -0.838 0.000 0.837 101 G HN 0.506 nan 8.290 nan 0.000 0.482 102 M N 0.011 119.381 119.600 -0.383 0.000 2.465 102 M HA 0.597 5.071 4.480 -0.011 0.000 0.284 102 M C -1.795 174.552 176.300 0.077 0.000 1.212 102 M CA -0.659 54.566 55.300 -0.126 0.000 0.910 102 M CB 2.245 34.779 32.600 -0.110 0.000 1.725 102 M HN 0.509 nan 8.290 nan 0.000 0.477 103 V N 1.966 121.869 119.914 -0.019 0.000 2.735 103 V HA 0.820 4.933 4.120 -0.011 0.000 0.310 103 V C -0.589 175.485 176.094 -0.034 0.000 1.061 103 V CA -0.612 61.676 62.300 -0.021 0.000 0.913 103 V CB 1.800 33.559 31.823 -0.106 0.000 1.005 103 V HN 0.868 nan 8.190 nan 0.000 0.428 104 S N 3.191 118.913 115.700 0.037 0.000 2.572 104 S HA 0.813 5.276 4.470 -0.011 0.000 0.274 104 S C -1.541 173.125 174.600 0.110 0.000 1.150 104 S CA -0.499 57.735 58.200 0.057 0.000 0.944 104 S CB 1.968 65.174 63.200 0.010 0.000 1.071 104 S HN 0.596 nan 8.310 nan 0.000 0.479 105 V N 4.255 124.276 119.914 0.179 0.000 2.524 105 V HA 0.743 4.856 4.120 -0.011 0.000 0.297 105 V C 1.315 177.503 176.094 0.155 0.000 1.035 105 V CA 0.340 62.731 62.300 0.153 0.000 0.867 105 V CB 0.647 32.564 31.823 0.156 0.000 1.004 105 V HN 1.660 nan 8.190 nan 0.000 0.426 106 G N 5.361 114.221 108.800 0.101 0.000 2.672 106 G HA2 -0.380 3.574 3.960 -0.011 0.000 0.324 106 G HA3 -0.380 3.574 3.960 -0.011 0.000 0.324 106 G C 0.632 175.592 174.900 0.100 0.000 1.286 106 G CA 1.080 46.233 45.100 0.088 0.000 1.004 106 G HN 1.104 nan 8.290 nan 0.000 0.548 107 D N 0.190 120.659 120.400 0.115 0.000 2.363 107 D HA 0.303 4.936 4.640 -0.011 0.000 0.226 107 D C 0.684 177.077 176.300 0.156 0.000 1.020 107 D CA 0.535 54.601 54.000 0.109 0.000 0.892 107 D CB -0.030 40.828 40.800 0.095 0.000 0.900 107 D HN 0.386 nan 8.370 nan 0.000 0.531 108 F N 1.326 121.301 119.950 0.042 0.000 2.458 108 F HA 0.561 5.082 4.527 -0.011 0.000 0.330 108 F C -0.384 175.453 175.800 0.062 0.000 1.082 108 F CA -0.623 57.411 58.000 0.056 0.000 0.995 108 F CB 1.718 40.758 39.000 0.066 0.000 1.170 108 F HN -0.023 nan 8.300 nan 0.000 0.478 109 S N 3.224 118.312 115.700 -1.021 0.000 2.565 109 S HA 0.685 5.148 4.470 -0.011 0.000 0.269 109 S C -1.664 172.501 174.600 -0.725 0.000 1.153 109 S CA -0.688 57.128 58.200 -0.641 0.000 0.835 109 S CB 1.839 64.888 63.200 -0.252 0.000 1.122 109 S HN 1.198 nan 8.310 nan 0.000 0.462 110 H N -1.405 117.471 119.070 -0.323 0.000 3.037 110 H HA 0.796 5.345 4.556 -0.012 0.000 0.355 110 H C -0.521 174.826 175.328 0.031 0.000 1.263 110 H CA -0.220 55.750 56.048 -0.131 0.000 1.129 110 H CB 1.094 30.857 29.762 0.001 0.000 1.861 110 H HN 0.953 nan 8.280 nan 0.000 0.546 111 T N -0.140 114.564 114.554 0.251 0.000 2.937 111 T HA 0.737 5.081 4.350 -0.011 0.000 0.283 111 T C -0.620 174.311 174.700 0.386 0.000 1.012 111 T CA -0.504 61.675 62.100 0.130 0.000 0.997 111 T CB 1.328 70.189 68.868 -0.011 0.000 1.136 111 T HN 0.808 nan 8.240 nan 0.000 0.551 112 F N -1.652 118.403 119.950 0.175 0.000 2.693 112 F HA 0.769 5.291 4.527 -0.009 0.000 0.309 112 F C -0.805 175.112 175.800 0.194 0.000 1.129 112 F CA -1.061 57.061 58.000 0.203 0.000 0.948 112 F CB 1.181 40.337 39.000 0.260 0.000 1.315 112 F HN 0.917 nan 8.300 nan 0.000 0.447 113 S N 1.532 117.472 115.700 0.400 0.000 2.599 113 S HA 0.951 5.415 4.470 -0.011 0.000 0.287 113 S C -1.284 173.587 174.600 0.452 0.000 1.105 113 S CA -0.614 57.763 58.200 0.294 0.000 0.899 113 S CB 2.421 65.672 63.200 0.084 0.000 1.100 113 S HN 1.649 nan 8.310 nan 0.000 0.482 114 F N -1.183 118.890 119.950 0.206 0.000 2.713 114 F HA 0.845 5.367 4.527 -0.009 0.000 0.311 114 F C -1.492 174.383 175.800 0.124 0.000 1.141 114 F CA -0.865 57.242 58.000 0.178 0.000 0.939 114 F CB 1.186 40.316 39.000 0.216 0.000 1.325 114 F HN 0.888 nan 8.300 nan 0.000 0.453 115 E N 1.316 121.630 120.200 0.191 0.000 2.308 115 E HA 0.746 5.090 4.350 -0.011 0.000 0.275 115 E C -1.390 175.357 176.600 0.245 0.000 0.890 115 E CA -1.205 55.252 56.400 0.095 0.000 0.754 115 E CB 2.243 31.952 29.700 0.015 0.000 1.207 115 E HN 1.303 nan 8.360 nan 0.000 0.426 116 G N 0.702 109.640 108.800 0.229 0.000 2.677 116 G HA2 0.556 4.509 3.960 -0.011 0.000 0.291 116 G HA3 0.556 4.509 3.960 -0.011 0.000 0.291 116 G C -1.228 173.707 174.900 0.060 0.000 1.435 116 G CA -0.477 44.703 45.100 0.133 0.000 0.826 116 G HN 0.756 nan 8.290 nan 0.000 0.491 117 S N -1.329 114.362 115.700 -0.016 0.000 2.568 117 S HA 0.829 5.292 4.470 -0.011 0.000 0.293 117 S C -1.127 173.390 174.600 -0.139 0.000 1.089 117 S CA -0.805 57.369 58.200 -0.043 0.000 0.945 117 S CB 2.147 65.332 63.200 -0.025 0.000 1.077 117 S HN 0.993 nan 8.310 nan 0.000 0.485 118 V N 1.939 121.774 119.914 -0.132 0.000 2.531 118 V HA 0.545 4.658 4.120 -0.011 0.000 0.301 118 V C -0.853 175.139 176.094 -0.170 0.000 1.034 118 V CA -0.665 61.483 62.300 -0.254 0.000 0.865 118 V CB 1.814 33.441 31.823 -0.328 0.000 0.995 118 V HN 0.861 nan 8.190 nan 0.000 0.424 119 V N 4.062 123.845 119.914 -0.218 0.000 2.384 119 V HA 0.424 4.537 4.120 -0.011 0.000 0.287 119 V C -0.152 175.680 176.094 -0.436 0.000 1.020 119 V CA -0.633 61.517 62.300 -0.249 0.000 0.850 119 V CB 1.672 33.412 31.823 -0.138 0.000 0.987 119 V HN 0.912 nan 8.190 nan 0.000 0.436 120 N N 4.714 122.901 118.700 -0.855 0.000 2.425 120 N HA 0.645 5.378 4.740 -0.011 0.000 0.268 120 N C -1.232 173.790 175.510 -0.813 0.000 0.991 120 N CA -0.303 52.087 53.050 -1.100 0.000 0.931 120 N CB 0.940 38.134 38.487 -2.156 0.000 1.130 120 N HN 0.627 nan 8.380 nan 0.000 0.493 121 L N 3.290 124.130 121.223 -0.639 0.000 2.385 121 L HA 0.542 4.875 4.340 -0.011 0.000 0.273 121 L C -0.858 175.650 176.870 -0.603 0.000 0.990 121 L CA -0.921 53.611 54.840 -0.513 0.000 0.821 121 L CB 1.199 43.132 42.059 -0.210 0.000 1.279 121 L HN 0.401 nan 8.230 nan 0.000 0.412 122 F N 1.209 121.006 119.950 -0.255 0.000 2.384 122 F HA 0.248 4.767 4.527 -0.014 0.000 0.338 122 F C 0.829 176.529 175.800 -0.167 0.000 1.103 122 F CA -0.316 57.533 58.000 -0.252 0.000 1.157 122 F CB 0.539 39.410 39.000 -0.215 0.000 1.167 122 F HN 0.321 nan 8.300 nan 0.000 0.529 123 Y N 1.005 121.435 120.300 0.216 0.000 2.352 123 Y HA -0.092 4.449 4.550 -0.014 0.000 0.292 123 Y C 0.117 176.164 175.900 0.245 0.000 1.136 123 Y CA 0.713 58.929 58.100 0.194 0.000 1.227 123 Y CB -0.739 37.840 38.460 0.199 0.000 0.991 123 Y HN 0.488 nan 8.280 nan 0.000 0.545 124 Y N -2.707 117.737 120.300 0.241 0.000 2.609 124 Y HA 0.815 5.357 4.550 -0.013 0.000 0.336 124 Y C -0.701 175.263 175.900 0.106 0.000 1.129 124 Y CA -2.244 55.943 58.100 0.145 0.000 1.040 124 Y CB 0.711 39.235 38.460 0.107 0.000 1.310 124 Y HN -0.254 nan 8.280 nan 0.000 0.460 125 R N 1.202 121.685 120.500 -0.027 0.000 2.514 125 R HA 0.792 5.126 4.340 -0.011 0.000 0.296 125 R C -1.641 174.712 176.300 0.088 0.000 1.012 125 R CA -0.392 55.623 56.100 -0.140 0.000 0.897 125 R CB 1.075 31.352 30.300 -0.038 0.000 1.184 125 R HN 1.162 nan 8.270 nan 0.000 0.440 126 S N 0.181 115.952 115.700 0.119 0.000 2.571 126 S HA 0.318 4.781 4.470 -0.011 0.000 0.284 126 S C -0.096 174.562 174.600 0.096 0.000 1.128 126 S CA -0.273 58.032 58.200 0.176 0.000 0.970 126 S CB 1.905 65.280 63.200 0.292 0.000 1.039 126 S HN 0.726 nan 8.310 nan 0.000 0.485 127 D N 4.038 124.476 120.400 0.064 0.000 2.224 127 D HA 0.082 4.715 4.640 -0.011 0.000 0.205 127 D C 1.886 178.211 176.300 0.041 0.000 0.965 127 D CA 1.472 55.496 54.000 0.040 0.000 0.852 127 D CB 0.076 40.893 40.800 0.029 0.000 0.947 127 D HN 0.617 nan 8.370 nan 0.000 0.494 128 A N -0.354 122.497 122.820 0.051 0.000 1.972 128 A HA -0.092 4.221 4.320 -0.011 0.000 0.219 128 A C 2.371 179.981 177.584 0.044 0.000 1.169 128 A CA 1.310 53.371 52.037 0.039 0.000 0.635 128 A CB -0.556 18.465 19.000 0.035 0.000 0.810 128 A HN 0.209 nan 8.150 nan 0.000 0.446 129 V N -0.734 119.225 119.914 0.075 0.000 2.302 129 V HA -0.166 3.947 4.120 -0.011 0.000 0.243 129 V C 2.743 178.863 176.094 0.044 0.000 1.036 129 V CA 1.860 64.208 62.300 0.079 0.000 1.020 129 V CB -0.900 31.023 31.823 0.168 0.000 0.657 129 V HN 0.617 nan 8.190 nan 0.000 0.453 130 R N 0.874 121.394 120.500 0.035 0.000 2.096 130 R HA -0.207 4.126 4.340 -0.011 0.000 0.240 130 R C 2.459 178.760 176.300 0.003 0.000 1.139 130 R CA 2.352 58.455 56.100 0.006 0.000 0.952 130 R CB -0.840 29.459 30.300 -0.002 0.000 0.854 130 R HN 0.844 nan 8.270 nan 0.000 0.436 131 R N -0.677 119.828 120.500 0.008 0.000 2.240 131 R HA 0.218 4.551 4.340 -0.011 0.000 0.203 131 R C 1.654 177.955 176.300 0.000 0.000 1.011 131 R CA 1.279 57.381 56.100 0.002 0.000 1.007 131 R CB -0.205 30.097 30.300 0.004 0.000 0.911 131 R HN 0.301 nan 8.270 nan 0.000 0.468 132 N N 0.574 119.277 118.700 0.005 0.000 2.322 132 N HA 0.077 4.811 4.740 -0.011 0.000 0.181 132 N C -0.550 174.959 175.510 -0.002 0.000 1.088 132 N CA 0.341 53.392 53.050 0.002 0.000 0.885 132 N CB 1.172 39.663 38.487 0.007 0.000 1.013 132 N HN -0.041 nan 8.380 nan 0.000 0.472 133 V N 3.838 123.751 119.914 -0.001 0.000 2.313 133 V HA 0.217 4.330 4.120 -0.011 0.000 0.278 133 V C -1.422 174.662 176.094 -0.018 0.000 1.017 133 V CA -1.101 61.194 62.300 -0.008 0.000 0.823 133 V CB 2.056 33.879 31.823 -0.000 0.000 1.010 133 V HN -0.003 nan 8.190 nan 0.000 0.443 134 P HA -0.023 nan 4.420 nan 0.000 0.219 134 P C 0.470 177.750 177.300 -0.033 0.000 1.150 134 P CA 0.936 64.019 63.100 -0.030 0.000 0.814 134 P CB 0.364 32.042 31.700 -0.036 0.000 0.787 135 N N 0.011 118.690 118.700 -0.035 0.000 2.752 135 N HA 0.205 4.939 4.740 -0.011 0.000 0.260 135 N C -2.727 172.754 175.510 -0.048 0.000 1.562 135 N CA -2.099 50.928 53.050 -0.038 0.000 0.788 135 N CB 0.313 38.779 38.487 -0.035 0.000 1.192 135 N HN -0.076 nan 8.380 nan 0.000 0.503 136 P HA 0.137 nan 4.420 nan 0.000 0.268 136 P C 0.434 177.688 177.300 -0.077 0.000 1.204 136 P CA -0.272 62.794 63.100 -0.056 0.000 0.768 136 P CB 1.462 33.133 31.700 -0.049 0.000 0.842 137 I N 1.105 121.597 120.570 -0.130 0.000 3.341 137 I HA 0.038 4.201 4.170 -0.011 0.000 0.243 137 I C 0.676 176.745 176.117 -0.080 0.000 1.094 137 I CA 0.472 61.666 61.300 -0.177 0.000 1.507 137 I CB -1.247 36.529 38.000 -0.372 0.000 1.441 137 I HN 0.163 nan 8.210 nan 0.000 0.465 138 Y N 2.762 123.084 120.300 0.036 0.000 2.496 138 Y HA 0.312 4.859 4.550 -0.005 0.000 0.334 138 Y C 0.445 176.368 175.900 0.039 0.000 1.080 138 Y CA -0.162 57.966 58.100 0.047 0.000 1.355 138 Y CB 0.098 38.593 38.460 0.058 0.000 1.193 138 Y HN 0.036 nan 8.280 nan 0.000 0.523 139 M N 3.818 123.535 119.600 0.195 0.000 2.067 139 M HA 0.250 4.724 4.480 -0.011 0.000 0.286 139 M C -0.981 175.426 176.300 0.179 0.000 0.922 139 M CA -1.209 54.131 55.300 0.067 0.000 0.937 139 M CB 1.622 34.083 32.600 -0.232 0.000 1.550 139 M HN 0.670 nan 8.290 nan 0.000 0.433 140 Q N 1.134 121.086 119.800 0.253 0.000 2.327 140 Q HA 0.753 5.087 4.340 -0.011 0.000 0.254 140 Q C 0.674 176.835 176.000 0.269 0.000 0.952 140 Q CA 0.057 56.043 55.803 0.306 0.000 0.884 140 Q CB 1.133 30.119 28.738 0.412 0.000 1.224 140 Q HN 0.874 nan 8.270 nan 0.000 0.422 141 G N 0.523 109.322 108.800 -0.000 0.000 2.488 141 G HA2 0.615 4.568 3.960 -0.011 0.000 0.301 141 G HA3 0.615 4.568 3.960 -0.011 0.000 0.301 141 G C -1.741 172.746 174.900 -0.690 0.000 1.339 141 G CA -0.919 43.849 45.100 -0.554 0.000 0.803 141 G HN 0.487 nan 8.290 nan 0.000 0.482 142 R N -0.406 119.632 120.500 -0.771 0.000 2.725 142 R HA 0.642 4.975 4.340 -0.011 0.000 0.277 142 R C -1.340 174.553 176.300 -0.679 0.000 0.987 142 R CA -0.611 55.100 56.100 -0.648 0.000 0.901 142 R CB 2.171 32.154 30.300 -0.529 0.000 1.207 142 R HN 0.530 nan 8.270 nan 0.000 0.463 143 Q N 3.155 122.487 119.800 -0.779 0.000 2.330 143 Q HA 0.387 4.720 4.340 -0.011 0.000 0.269 143 Q C -1.642 173.981 176.000 -0.628 0.000 1.022 143 Q CA -0.613 54.828 55.803 -0.604 0.000 0.796 143 Q CB 1.445 29.924 28.738 -0.430 0.000 1.271 143 Q HN 0.460 nan 8.270 nan 0.000 0.450 144 F N 1.954 121.755 119.950 -0.248 0.000 2.427 144 F HA 0.376 4.899 4.527 -0.006 0.000 0.346 144 F C -0.151 175.490 175.800 -0.265 0.000 1.120 144 F CA -0.703 57.176 58.000 -0.203 0.000 1.033 144 F CB 1.175 40.071 39.000 -0.174 0.000 1.126 144 F HN 0.531 nan 8.300 nan 0.000 0.462 145 H N 0.933 119.774 119.070 -0.381 0.000 2.457 145 H HA 0.391 4.941 4.556 -0.010 0.000 0.335 145 H C -1.091 174.058 175.328 -0.299 0.000 1.115 145 H CA -0.708 55.077 56.048 -0.438 0.000 1.219 145 H CB 1.497 30.732 29.762 -0.880 0.000 1.471 145 H HN 0.404 nan 8.280 nan 0.000 0.491 146 D N 2.937 123.256 120.400 -0.135 0.000 2.542 146 D HA 0.313 4.946 4.640 -0.011 0.000 0.252 146 D C -1.064 175.154 176.300 -0.137 0.000 1.222 146 D CA -0.411 53.523 54.000 -0.110 0.000 0.895 146 D CB 0.604 41.374 40.800 -0.049 0.000 1.207 146 D HN 0.407 nan 8.370 nan 0.000 0.558 147 I N 3.010 123.426 120.570 -0.257 0.000 2.509 147 I HA 0.405 4.568 4.170 -0.011 0.000 0.293 147 I C -0.902 175.186 176.117 -0.049 0.000 1.020 147 I CA -1.141 60.022 61.300 -0.228 0.000 1.088 147 I CB 2.210 39.863 38.000 -0.580 0.000 1.267 147 I HN 0.277 nan 8.210 nan 0.000 0.430 148 L N 8.203 129.490 121.223 0.106 0.000 2.343 148 L HA 0.697 5.030 4.340 -0.011 0.000 0.278 148 L C -0.656 176.373 176.870 0.265 0.000 0.996 148 L CA -0.280 54.669 54.840 0.181 0.000 0.831 148 L CB 1.177 43.321 42.059 0.141 0.000 1.232 148 L HN 0.640 nan 8.230 nan 0.000 0.413 149 M N 3.163 122.946 119.600 0.305 0.000 2.591 149 M HA 0.682 5.155 4.480 -0.011 0.000 0.306 149 M C -1.513 174.936 176.300 0.248 0.000 1.190 149 M CA -0.770 54.728 55.300 0.330 0.000 0.889 149 M CB 2.436 35.250 32.600 0.357 0.000 1.728 149 M HN 0.416 nan 8.290 nan 0.000 0.458 150 K N 1.766 122.307 120.400 0.235 0.000 2.443 150 K HA 0.750 5.063 4.320 -0.011 0.000 0.252 150 K C -1.695 174.994 176.600 0.148 0.000 0.933 150 K CA -0.871 55.497 56.287 0.135 0.000 0.792 150 K CB 3.181 35.738 32.500 0.095 0.000 1.185 150 K HN 0.582 nan 8.250 nan 0.000 0.425 151 V N 3.569 123.507 119.914 0.039 0.000 2.525 151 V HA 0.315 4.428 4.120 -0.011 0.000 0.299 151 V C -2.511 173.535 176.094 -0.080 0.000 1.034 151 V CA -2.243 60.082 62.300 0.041 0.000 0.863 151 V CB 1.858 33.677 31.823 -0.005 0.000 0.999 151 V HN 0.620 nan 8.190 nan 0.000 0.423 152 P HA 0.231 nan 4.420 nan 0.000 0.271 152 P C -0.256 176.984 177.300 -0.101 0.000 1.226 152 P CA -0.005 63.050 63.100 -0.074 0.000 0.765 152 P CB 0.393 32.074 31.700 -0.032 0.000 0.835 153 L N 3.721 124.852 121.223 -0.153 0.000 2.423 153 L HA 0.128 4.461 4.340 -0.011 0.000 0.249 153 L C 0.562 177.393 176.870 -0.064 0.000 1.276 153 L CA 0.045 54.804 54.840 -0.136 0.000 1.199 153 L CB -0.649 41.279 42.059 -0.217 0.000 1.407 153 L HN 0.369 nan 8.230 nan 0.000 0.410 154 D N -0.389 119.990 120.400 -0.036 0.000 2.427 154 D HA 0.075 4.709 4.640 -0.011 0.000 0.224 154 D C 0.045 176.346 176.300 0.003 0.000 1.157 154 D CA -0.256 53.733 54.000 -0.020 0.000 0.828 154 D CB 0.002 40.787 40.800 -0.026 0.000 0.974 154 D HN 0.516 nan 8.370 nan 0.000 0.498 155 N N -1.632 117.087 118.700 0.031 0.000 2.823 155 N HA 0.153 4.886 4.740 -0.011 0.000 0.251 155 N C -0.100 175.465 175.510 0.092 0.000 1.392 155 N CA -0.814 52.277 53.050 0.067 0.000 0.864 155 N CB 0.431 38.971 38.487 0.088 0.000 1.481 155 N HN -0.302 nan 8.380 nan 0.000 0.508 156 N N -0.029 118.728 118.700 0.094 0.000 2.223 156 N HA -0.114 4.619 4.740 -0.011 0.000 0.185 156 N C -0.017 175.550 175.510 0.096 0.000 1.016 156 N CA 1.092 54.190 53.050 0.081 0.000 0.863 156 N CB -0.228 38.298 38.487 0.064 0.000 0.983 156 N HN 0.589 nan 8.380 nan 0.000 0.429 157 D N 1.089 121.575 120.400 0.143 0.000 2.117 157 D HA -0.065 4.568 4.640 -0.011 0.000 0.198 157 D C 2.205 178.575 176.300 0.117 0.000 0.982 157 D CA 0.492 54.558 54.000 0.110 0.000 0.828 157 D CB -0.117 40.748 40.800 0.110 0.000 0.967 157 D HN 0.247 nan 8.370 nan 0.000 0.464 158 L N 0.493 121.826 121.223 0.184 0.000 2.046 158 L HA -0.128 4.205 4.340 -0.011 0.000 0.208 158 L C 2.570 179.504 176.870 0.107 0.000 1.077 158 L CA 0.653 55.566 54.840 0.122 0.000 0.747 158 L CB -0.274 41.828 42.059 0.072 0.000 0.896 158 L HN -0.021 nan 8.230 nan 0.000 0.432 159 I N -0.262 120.365 120.570 0.096 0.000 2.179 159 I HA -0.301 3.862 4.170 -0.011 0.000 0.242 159 I C 2.157 178.358 176.117 0.141 0.000 1.088 159 I CA 1.243 62.614 61.300 0.120 0.000 1.357 159 I CB -0.379 37.669 38.000 0.080 0.000 1.051 159 I HN 0.254 nan 8.210 nan 0.000 0.409 160 D N 0.374 120.827 120.400 0.089 0.000 2.104 160 D HA -0.163 4.471 4.640 -0.011 0.000 0.194 160 D C 2.246 178.576 176.300 0.050 0.000 0.994 160 D CA 1.795 55.828 54.000 0.055 0.000 0.830 160 D CB -0.488 40.329 40.800 0.028 0.000 0.959 160 D HN 0.268 nan 8.370 nan 0.000 0.452 161 T N 0.353 114.944 114.554 0.061 0.000 2.746 161 T HA -0.156 4.187 4.350 -0.011 0.000 0.267 161 T C 1.633 176.384 174.700 0.085 0.000 1.039 161 T CA 0.789 62.914 62.100 0.041 0.000 1.142 161 T CB -0.274 68.613 68.868 0.031 0.000 0.866 161 T HN 0.377 nan 8.240 nan 0.000 0.444 162 W N 2.012 123.275 121.300 -0.062 0.000 2.355 162 W HA -0.135 4.518 4.660 -0.012 0.000 0.309 162 W C 1.881 178.358 176.519 -0.071 0.000 1.206 162 W CA 1.264 58.569 57.345 -0.067 0.000 1.284 162 W CB -0.140 29.291 29.460 -0.049 0.000 1.145 162 W HN 0.371 nan 8.180 nan 0.000 0.502 163 E N -0.244 119.966 120.200 0.016 0.000 2.110 163 E HA -0.147 4.196 4.350 -0.011 0.000 0.193 163 E C 2.426 178.924 176.600 -0.170 0.000 0.988 163 E CA 1.320 57.647 56.400 -0.121 0.000 0.804 163 E CB -0.777 28.924 29.700 0.001 0.000 0.745 163 E HN 0.358 nan 8.360 nan 0.000 0.458 164 G N 0.466 109.198 108.800 -0.112 0.000 2.418 164 G HA2 -0.274 3.679 3.960 -0.011 0.000 0.217 164 G HA3 -0.274 3.679 3.960 -0.011 0.000 0.217 164 G C 1.626 176.417 174.900 -0.181 0.000 1.158 164 G CA 1.346 46.376 45.100 -0.118 0.000 0.771 164 G HN 0.192 nan 8.290 nan 0.000 0.545 165 T N 0.750 115.161 114.554 -0.237 0.000 2.737 165 T HA -0.085 4.259 4.350 -0.011 0.000 0.265 165 T C 2.563 176.980 174.700 -0.473 0.000 1.038 165 T CA 1.171 63.085 62.100 -0.309 0.000 1.144 165 T CB -0.278 68.417 68.868 -0.288 0.000 0.866 165 T HN 0.054 nan 8.240 nan 0.000 0.434 166 V N 1.606 121.179 119.914 -0.570 0.000 2.407 166 V HA -0.162 3.951 4.120 -0.011 0.000 0.248 166 V C 2.579 178.442 176.094 -0.386 0.000 1.055 166 V CA 1.469 63.428 62.300 -0.568 0.000 1.049 166 V CB -0.505 30.920 31.823 -0.663 0.000 0.662 166 V HN 0.404 nan 8.190 nan 0.000 0.455 167 K N -0.008 120.215 120.400 -0.296 0.000 2.026 167 K HA -0.175 4.138 4.320 -0.011 0.000 0.208 167 K C 2.281 178.759 176.600 -0.204 0.000 1.048 167 K CA 1.605 57.770 56.287 -0.204 0.000 0.929 167 K CB -0.327 32.087 32.500 -0.143 0.000 0.713 167 K HN 0.448 nan 8.250 nan 0.000 0.439 168 A N 1.407 124.095 122.820 -0.220 0.000 1.877 168 A HA -0.157 4.157 4.320 -0.011 0.000 0.216 168 A C 2.128 179.514 177.584 -0.330 0.000 1.186 168 A CA 1.417 53.353 52.037 -0.168 0.000 0.620 168 A CB -0.580 18.403 19.000 -0.028 0.000 0.822 168 A HN 0.296 nan 8.150 nan 0.000 0.443 169 I N -0.296 119.870 120.570 -0.673 0.000 2.208 169 I HA -0.227 3.937 4.170 -0.011 0.000 0.245 169 I C 2.527 178.409 176.117 -0.391 0.000 1.097 169 I CA 1.325 62.139 61.300 -0.810 0.000 1.363 169 I CB -0.391 37.075 38.000 -0.889 0.000 1.051 169 I HN 0.410 nan 8.210 nan 0.000 0.413 170 G N -0.797 107.823 108.800 -0.300 0.000 2.650 170 G HA2 -0.143 3.810 3.960 -0.011 0.000 0.214 170 G HA3 -0.143 3.810 3.960 -0.011 0.000 0.214 170 G C 1.645 176.463 174.900 -0.136 0.000 1.136 170 G CA 0.869 45.853 45.100 -0.193 0.000 0.789 170 G HN 0.494 nan 8.290 nan 0.000 0.536 171 S N -0.760 114.862 115.700 -0.130 0.000 2.514 171 S HA 0.137 4.601 4.470 -0.011 0.000 0.223 171 S C 0.776 175.341 174.600 -0.058 0.000 1.046 171 S CA 0.286 58.438 58.200 -0.078 0.000 0.914 171 S CB 0.324 63.487 63.200 -0.060 0.000 0.807 171 S HN 0.006 nan 8.310 nan 0.000 0.497 172 T N 1.759 116.275 114.554 -0.063 0.000 2.756 172 T HA 0.583 4.927 4.350 -0.011 0.000 0.290 172 T C 1.168 175.806 174.700 -0.104 0.000 0.985 172 T CA -0.256 61.810 62.100 -0.057 0.000 0.955 172 T CB 1.333 70.217 68.868 0.028 0.000 0.930 172 T HN 0.322 nan 8.240 nan 0.000 0.451 173 G N 1.833 110.547 108.800 -0.143 0.000 2.484 173 G HA2 0.056 4.009 3.960 -0.011 0.000 0.218 173 G HA3 0.056 4.009 3.960 -0.011 0.000 0.218 173 G C 1.291 176.054 174.900 -0.229 0.000 1.130 173 G CA 0.400 45.413 45.100 -0.145 0.000 0.784 173 G HN 0.786 nan 8.290 nan 0.000 0.543 174 A N -0.072 122.464 122.820 -0.475 0.000 2.307 174 A HA 0.412 4.725 4.320 -0.011 0.000 0.218 174 A C 1.639 178.832 177.584 -0.652 0.000 1.228 174 A CA -0.067 51.487 52.037 -0.806 0.000 0.857 174 A CB -0.403 17.546 19.000 -1.753 0.000 0.897 174 A HN 0.321 nan 8.150 nan 0.000 0.495 175 F N 1.712 121.412 119.950 -0.416 0.000 2.115 175 F HA -0.276 4.247 4.527 -0.007 0.000 0.300 175 F C 1.710 177.446 175.800 -0.106 0.000 1.092 175 F CA 2.238 60.119 58.000 -0.199 0.000 1.245 175 F CB -0.081 38.828 39.000 -0.152 0.000 0.995 175 F HN 0.280 nan 8.300 nan 0.000 0.481 176 N N 0.254 118.977 118.700 0.039 0.000 2.453 176 N HA -0.140 4.593 4.740 -0.011 0.000 0.183 176 N C 1.389 176.900 175.510 0.002 0.000 1.041 176 N CA 1.282 54.361 53.050 0.048 0.000 0.900 176 N CB -0.459 38.097 38.487 0.115 0.000 0.961 176 N HN 0.514 nan 8.380 nan 0.000 0.443 177 D N -0.632 119.724 120.400 -0.073 0.000 2.527 177 D HA -0.051 4.583 4.640 -0.011 0.000 0.249 177 D C 1.422 177.814 176.300 0.152 0.000 1.029 177 D CA 0.506 54.516 54.000 0.017 0.000 0.951 177 D CB -0.284 40.474 40.800 -0.069 0.000 1.093 177 D HN -0.001 nan 8.370 nan 0.000 0.464 178 W N 1.030 122.312 121.300 -0.031 0.000 2.387 178 W HA -0.040 4.612 4.660 -0.013 0.000 0.272 178 W C 2.151 178.617 176.519 -0.089 0.000 1.224 178 W CA -0.047 57.271 57.345 -0.045 0.000 1.210 178 W CB -1.254 28.172 29.460 -0.057 0.000 1.125 178 W HN 0.134 nan 8.180 nan 0.000 0.572 179 I N 1.167 121.703 120.570 -0.056 0.000 2.423 179 I HA -0.269 3.895 4.170 -0.011 0.000 0.254 179 I C 2.333 178.562 176.117 0.186 0.000 1.151 179 I CA 1.483 62.687 61.300 -0.160 0.000 1.421 179 I CB -0.299 37.375 38.000 -0.544 0.000 1.079 179 I HN -0.122 nan 8.210 nan 0.000 0.431 180 R N 0.202 120.864 120.500 0.270 0.000 2.148 180 R HA -0.129 4.204 4.340 -0.011 0.000 0.227 180 R C 1.639 178.184 176.300 0.408 0.000 1.103 180 R CA 1.399 57.730 56.100 0.385 0.000 0.983 180 R CB -0.400 30.101 30.300 0.334 0.000 0.874 180 R HN 0.425 nan 8.270 nan 0.000 0.451 181 D N 0.107 120.699 120.400 0.320 0.000 2.144 181 D HA -0.166 4.467 4.640 -0.011 0.000 0.200 181 D C 1.466 177.880 176.300 0.190 0.000 0.978 181 D CA 0.946 55.078 54.000 0.220 0.000 0.833 181 D CB -0.211 40.630 40.800 0.068 0.000 0.961 181 D HN 0.146 nan 8.370 nan 0.000 0.470 182 F N 0.275 120.255 119.950 0.051 0.000 2.163 182 F HA -0.093 4.428 4.527 -0.010 0.000 0.297 182 F C 2.093 177.903 175.800 0.018 0.000 1.094 182 F CA 0.821 58.822 58.000 0.002 0.000 1.290 182 F CB -0.135 38.834 39.000 -0.053 0.000 1.017 182 F HN -0.059 nan 8.300 nan 0.000 0.483 183 W N 1.243 122.351 121.300 -0.319 0.000 2.354 183 W HA -0.127 4.536 4.660 0.005 0.000 0.315 183 W C 0.394 176.425 176.519 -0.813 0.000 1.206 183 W CA 1.152 58.090 57.345 -0.678 0.000 1.290 183 W CB -1.193 27.813 29.460 -0.756 0.000 1.152 183 W HN -0.038 nan 8.180 nan 0.000 0.489 184 F N 1.588 121.542 119.950 0.007 0.000 2.660 184 F HA 0.207 4.737 4.527 0.004 0.000 0.342 184 F C 0.771 176.561 175.800 -0.018 0.000 1.195 184 F CA -0.886 57.060 58.000 -0.090 0.000 1.300 184 F CB -1.402 37.482 39.000 -0.193 0.000 1.616 184 F HN -0.349 nan 8.300 nan 0.000 0.592 185 I N 1.312 121.866 120.570 -0.027 0.000 2.948 185 I HA 0.132 4.296 4.170 -0.011 0.000 0.303 185 I C 1.409 177.529 176.117 0.005 0.000 1.224 185 I CA 1.155 62.421 61.300 -0.057 0.000 1.442 185 I CB -0.012 37.900 38.000 -0.147 0.000 1.328 185 I HN 0.687 nan 8.210 nan 0.000 0.578 186 G N 6.992 115.783 108.800 -0.014 0.000 2.634 186 G HA2 -0.301 3.652 3.960 -0.011 0.000 0.309 186 G HA3 -0.301 3.652 3.960 -0.011 0.000 0.309 186 G C -1.485 173.431 174.900 0.027 0.000 1.265 186 G CA 0.253 45.347 45.100 -0.011 0.000 0.998 186 G HN 0.666 nan 8.290 nan 0.000 0.551 187 P HA 0.254 nan 4.420 nan 0.000 0.245 187 P C 1.510 178.813 177.300 0.005 0.000 1.212 187 P CA 1.600 64.711 63.100 0.018 0.000 0.774 187 P CB -0.150 31.548 31.700 -0.003 0.000 0.999 188 A N -0.117 122.722 122.820 0.031 0.000 1.930 188 A HA -0.164 4.149 4.320 -0.011 0.000 0.217 188 A C 1.986 179.564 177.584 -0.011 0.000 1.175 188 A CA 0.903 52.947 52.037 0.012 0.000 0.627 188 A CB -1.666 17.396 19.000 0.103 0.000 0.815 188 A HN 0.144 nan 8.150 nan 0.000 0.443 189 F N 1.507 121.426 119.950 -0.052 0.000 2.065 189 F HA -0.228 4.276 4.527 -0.039 0.000 0.298 189 F C 2.568 178.262 175.800 -0.178 0.000 1.112 189 F CA 2.530 60.463 58.000 -0.112 0.000 1.212 189 F CB -0.613 38.360 39.000 -0.044 0.000 0.975 189 F HN 0.234 nan 8.300 nan 0.000 0.476 190 T N 0.492 115.132 114.554 0.144 0.000 2.720 190 T HA -0.229 4.114 4.350 -0.011 0.000 0.268 190 T C 2.136 176.754 174.700 -0.136 0.000 1.037 190 T CA 1.384 63.506 62.100 0.037 0.000 1.144 190 T CB -0.904 67.992 68.868 0.048 0.000 0.864 190 T HN 0.399 nan 8.240 nan 0.000 0.444 191 A N 1.136 123.824 122.820 -0.219 0.000 2.019 191 A HA 0.015 4.328 4.320 -0.011 0.000 0.219 191 A C 2.265 179.675 177.584 -0.291 0.000 1.164 191 A CA 1.020 52.843 52.037 -0.358 0.000 0.644 191 A CB -0.842 17.744 19.000 -0.689 0.000 0.805 191 A HN 0.485 nan 8.150 nan 0.000 0.449 192 L N -0.591 120.413 121.223 -0.365 0.000 1.956 192 L HA -0.286 4.047 4.340 -0.011 0.000 0.216 192 L C 2.564 179.296 176.870 -0.231 0.000 1.073 192 L CA 2.073 56.687 54.840 -0.376 0.000 0.762 192 L CB -0.738 40.923 42.059 -0.663 0.000 0.889 192 L HN 0.559 nan 8.230 nan 0.000 0.433 193 N N -0.134 118.425 118.700 -0.235 0.000 2.149 193 N HA -0.256 4.478 4.740 -0.011 0.000 0.188 193 N C 1.756 177.219 175.510 -0.078 0.000 1.019 193 N CA 1.285 54.249 53.050 -0.143 0.000 0.857 193 N CB -0.003 38.412 38.487 -0.119 0.000 0.997 193 N HN 0.173 nan 8.380 nan 0.000 0.426 194 E N -0.792 119.370 120.200 -0.063 0.000 2.160 194 E HA -0.057 4.287 4.350 -0.011 0.000 0.195 194 E C 1.413 178.029 176.600 0.026 0.000 0.991 194 E CA 1.487 57.878 56.400 -0.015 0.000 0.810 194 E CB -0.669 29.025 29.700 -0.009 0.000 0.742 194 E HN 0.468 nan 8.360 nan 0.000 0.466 195 G N -1.641 107.192 108.800 0.056 0.000 3.284 195 G HA2 0.290 4.243 3.960 -0.011 0.000 0.236 195 G HA3 0.290 4.243 3.960 -0.011 0.000 0.236 195 G C 0.777 175.682 174.900 0.007 0.000 1.158 195 G CA 0.062 45.199 45.100 0.062 0.000 0.774 195 G HN 0.484 nan 8.290 nan 0.000 0.545 196 G N -0.466 108.319 108.800 -0.025 0.000 2.246 196 G HA2 -0.269 3.684 3.960 -0.011 0.000 0.273 196 G HA3 -0.269 3.684 3.960 -0.011 0.000 0.273 196 G C 0.014 174.894 174.900 -0.033 0.000 1.055 196 G CA 0.522 45.598 45.100 -0.041 0.000 0.851 196 G HN 0.762 nan 8.290 nan 0.000 0.500 197 Q N -0.778 118.992 119.800 -0.051 0.000 2.342 197 Q HA 0.728 5.061 4.340 -0.011 0.000 0.267 197 Q C 0.115 176.043 176.000 -0.120 0.000 1.038 197 Q CA -0.993 54.782 55.803 -0.046 0.000 0.832 197 Q CB 1.107 29.835 28.738 -0.017 0.000 1.323 197 Q HN 0.462 nan 8.270 nan 0.000 0.448 198 R N 2.811 123.262 120.500 -0.082 0.000 2.686 198 R HA 0.559 4.893 4.340 -0.011 0.000 0.286 198 R C -0.913 175.336 176.300 -0.084 0.000 0.969 198 R CA -0.806 55.223 56.100 -0.119 0.000 0.898 198 R CB 1.554 31.819 30.300 -0.059 0.000 1.183 198 R HN 0.531 nan 8.270 nan 0.000 0.456 199 I N 2.244 122.715 120.570 -0.165 0.000 2.378 199 I HA 0.200 4.363 4.170 -0.011 0.000 0.291 199 I C 0.880 177.013 176.117 0.026 0.000 0.992 199 I CA -0.469 60.781 61.300 -0.084 0.000 1.154 199 I CB 1.503 39.297 38.000 -0.343 0.000 1.315 199 I HN 0.739 nan 8.210 nan 0.000 0.448 200 S N 6.992 122.786 115.700 0.157 0.000 2.634 200 S HA 0.454 4.918 4.470 -0.011 0.000 0.261 200 S C 0.410 175.139 174.600 0.215 0.000 1.271 200 S CA -0.615 57.686 58.200 0.169 0.000 0.985 200 S CB 0.846 64.167 63.200 0.203 0.000 0.968 200 S HN 0.537 nan 8.310 nan 0.000 0.568 201 R N 0.260 120.875 120.500 0.191 0.000 2.694 201 R HA 0.346 4.679 4.340 -0.011 0.000 0.268 201 R C 0.449 176.921 176.300 0.287 0.000 1.061 201 R CA -0.102 56.119 56.100 0.201 0.000 1.133 201 R CB -0.038 30.348 30.300 0.143 0.000 1.020 201 R HN 0.747 nan 8.270 nan 0.000 0.475 202 I N -1.831 118.924 120.570 0.307 0.000 2.834 202 I HA 0.303 4.466 4.170 -0.011 0.000 0.305 202 I C -0.185 176.122 176.117 0.316 0.000 1.008 202 I CA -0.437 61.103 61.300 0.401 0.000 1.273 202 I CB 1.209 39.455 38.000 0.410 0.000 1.432 202 I HN 0.585 nan 8.210 nan 0.000 0.557 203 E N 3.836 124.248 120.200 0.353 0.000 2.165 203 E HA 0.454 4.797 4.350 -0.011 0.000 0.266 203 E C -1.741 175.035 176.600 0.294 0.000 0.889 203 E CA -0.870 55.688 56.400 0.265 0.000 0.756 203 E CB 1.986 31.820 29.700 0.222 0.000 1.131 203 E HN 0.600 nan 8.360 nan 0.000 0.411 204 V N 5.684 125.727 119.914 0.215 0.000 2.334 204 V HA 0.125 4.238 4.120 -0.011 0.000 0.267 204 V C 0.406 176.587 176.094 0.144 0.000 1.040 204 V CA -0.294 62.120 62.300 0.190 0.000 0.866 204 V CB 0.577 32.454 31.823 0.089 0.000 1.019 204 V HN 0.776 nan 8.190 nan 0.000 0.468 205 N N 3.113 121.917 118.700 0.173 0.000 2.424 205 N HA 0.300 5.033 4.740 -0.011 0.000 0.178 205 N C 0.674 176.246 175.510 0.102 0.000 1.060 205 N CA 0.535 53.660 53.050 0.124 0.000 0.901 205 N CB 0.491 39.053 38.487 0.124 0.000 0.979 205 N HN 0.774 nan 8.380 nan 0.000 0.451 206 G N 0.077 108.949 108.800 0.119 0.000 2.633 206 G HA2 0.427 4.381 3.960 -0.011 0.000 0.299 206 G HA3 0.427 4.381 3.960 -0.011 0.000 0.299 206 G C -2.131 172.841 174.900 0.121 0.000 1.501 206 G CA -0.584 44.576 45.100 0.100 0.000 0.887 206 G HN -0.064 nan 8.290 nan 0.000 0.561 207 L N 2.551 123.829 121.223 0.092 0.000 2.441 207 L HA 0.540 4.874 4.340 -0.011 0.000 0.270 207 L C -1.219 175.769 176.870 0.196 0.000 0.973 207 L CA -0.837 54.082 54.840 0.132 0.000 0.842 207 L CB 1.946 43.960 42.059 -0.075 0.000 1.239 207 L HN 0.547 nan 8.230 nan 0.000 0.406 208 N N 1.263 120.162 118.700 0.332 0.000 2.329 208 N HA 0.438 5.171 4.740 -0.011 0.000 0.282 208 N C -0.995 174.696 175.510 0.302 0.000 1.198 208 N CA -0.525 52.689 53.050 0.274 0.000 0.790 208 N CB 2.788 41.365 38.487 0.149 0.000 1.579 208 N HN 0.299 nan 8.380 nan 0.000 0.475 209 T N 1.026 115.719 114.554 0.231 0.000 2.743 209 T HA 0.300 4.644 4.350 -0.011 0.000 0.292 209 T C 0.115 174.830 174.700 0.024 0.000 0.972 209 T CA -0.402 61.738 62.100 0.067 0.000 0.967 209 T CB 1.186 70.128 68.868 0.123 0.000 0.926 209 T HN 0.276 nan 8.240 nan 0.000 0.459 210 E N 1.471 121.655 120.200 -0.027 0.000 2.232 210 E HA 0.440 4.784 4.350 -0.011 0.000 0.265 210 E C -0.390 176.193 176.600 -0.028 0.000 1.001 210 E CA -0.667 55.725 56.400 -0.013 0.000 0.870 210 E CB 1.152 30.845 29.700 -0.012 0.000 1.175 210 E HN 0.354 nan 8.360 nan 0.000 0.407 211 S N 0.697 116.388 115.700 -0.015 0.000 2.423 211 S HA 0.362 4.826 4.470 -0.011 0.000 0.317 211 S C -0.055 174.533 174.600 -0.019 0.000 1.065 211 S CA -0.648 57.542 58.200 -0.018 0.000 1.111 211 S CB 0.802 63.997 63.200 -0.008 0.000 0.968 211 S HN 0.561 nan 8.310 nan 0.000 0.474 212 G N 3.686 112.469 108.800 -0.028 0.000 2.562 212 G HA2 0.384 4.338 3.960 -0.011 0.000 0.275 212 G HA3 0.384 4.338 3.960 -0.011 0.000 0.275 212 G C -1.071 173.817 174.900 -0.020 0.000 1.196 212 G CA -1.291 43.794 45.100 -0.025 0.000 0.908 212 G HN 0.430 nan 8.290 nan 0.000 0.524 213 P HA -0.077 nan 4.420 nan 0.000 0.216 213 P C 1.271 178.562 177.300 -0.016 0.000 1.153 213 P CA 2.378 65.469 63.100 -0.015 0.000 0.858 213 P CB 0.191 31.881 31.700 -0.016 0.000 0.789 214 K N -0.134 120.254 120.400 -0.020 0.000 2.397 214 K HA 0.530 4.844 4.320 -0.011 0.000 0.202 214 K C 0.866 177.451 176.600 -0.023 0.000 1.022 214 K CA 0.481 56.756 56.287 -0.020 0.000 1.141 214 K CB 0.157 32.645 32.500 -0.021 0.000 0.857 214 K HN 0.565 nan 8.250 nan 0.000 0.514 215 G N 0.190 108.974 108.800 -0.027 0.000 2.369 215 G HA2 0.253 4.206 3.960 -0.011 0.000 0.307 215 G HA3 0.253 4.206 3.960 -0.011 0.000 0.307 215 G C -3.314 171.557 174.900 -0.048 0.000 1.327 215 G CA -0.341 44.739 45.100 -0.033 0.000 0.963 215 G HN 0.072 nan 8.290 nan 0.000 0.590 216 P HA 0.440 nan 4.420 nan 0.000 0.268 216 P C -0.378 176.835 177.300 -0.145 0.000 1.205 216 P CA 0.006 63.051 63.100 -0.092 0.000 0.771 216 P CB 1.378 33.023 31.700 -0.092 0.000 0.858 217 V N 2.578 122.388 119.914 -0.174 0.000 2.588 217 V HA 0.555 4.669 4.120 -0.011 0.000 0.304 217 V C 0.765 176.631 176.094 -0.379 0.000 1.042 217 V CA -0.674 61.495 62.300 -0.219 0.000 0.877 217 V CB 2.039 33.791 31.823 -0.118 0.000 0.996 217 V HN 0.734 nan 8.190 nan 0.000 0.425 218 G N 3.142 111.570 108.800 -0.621 0.000 2.327 218 G HA2 0.541 4.494 3.960 -0.011 0.000 0.302 218 G HA3 0.541 4.494 3.960 -0.011 0.000 0.302 218 G C -0.728 173.904 174.900 -0.447 0.000 1.113 218 G CA -0.210 44.188 45.100 -1.170 0.000 0.921 218 G HN 0.548 nan 8.290 nan 0.000 0.425 219 V N 2.256 122.096 119.914 -0.122 0.000 2.459 219 V HA 0.727 4.841 4.120 -0.011 0.000 0.295 219 V C 0.130 176.385 176.094 0.268 0.000 1.029 219 V CA -0.706 61.653 62.300 0.098 0.000 0.874 219 V CB 1.436 33.311 31.823 0.088 0.000 0.985 219 V HN 0.996 nan 8.190 nan 0.000 0.438 220 S N 4.085 119.953 115.700 0.279 0.000 2.541 220 S HA 0.881 5.344 4.470 -0.011 0.000 0.280 220 S C -0.961 173.860 174.600 0.368 0.000 1.112 220 S CA -1.029 57.364 58.200 0.321 0.000 0.925 220 S CB 2.548 65.933 63.200 0.307 0.000 1.067 220 S HN 0.714 nan 8.310 nan 0.000 0.479 221 R N 2.213 122.925 120.500 0.352 0.000 2.483 221 R HA 0.698 5.032 4.340 -0.011 0.000 0.303 221 R C -1.389 175.157 176.300 0.409 0.000 0.987 221 R CA -0.418 55.872 56.100 0.316 0.000 0.881 221 R CB 0.762 31.176 30.300 0.190 0.000 1.177 221 R HN 0.892 nan 8.270 nan 0.000 0.451 222 W N 2.851 124.224 121.300 0.122 0.000 3.075 222 W HA 0.659 5.310 4.660 -0.014 0.000 0.334 222 W C -1.494 175.131 176.519 0.177 0.000 1.243 222 W CA -1.113 56.315 57.345 0.138 0.000 1.170 222 W CB 0.779 30.316 29.460 0.129 0.000 1.452 222 W HN 0.506 nan 8.180 nan 0.000 0.572 223 R N 1.175 121.884 120.500 0.349 0.000 2.808 223 R HA 0.814 5.147 4.340 -0.011 0.000 0.272 223 R C -1.356 175.223 176.300 0.465 0.000 0.995 223 R CA -0.732 55.486 56.100 0.197 0.000 0.917 223 R CB 2.810 33.201 30.300 0.153 0.000 1.217 223 R HN 0.497 nan 8.270 nan 0.000 0.471 224 F N -1.538 118.544 119.950 0.221 0.000 2.693 224 F HA 0.677 5.198 4.527 -0.011 0.000 0.309 224 F C -1.173 174.740 175.800 0.188 0.000 1.129 224 F CA -0.965 57.199 58.000 0.273 0.000 0.948 224 F CB 1.627 40.881 39.000 0.423 0.000 1.315 224 F HN 0.552 nan 8.300 nan 0.000 0.447 225 S N 0.131 115.955 115.700 0.206 0.000 2.607 225 S HA 0.767 5.230 4.470 -0.011 0.000 0.303 225 S C -1.436 173.239 174.600 0.125 0.000 1.086 225 S CA -0.493 57.606 58.200 -0.168 0.000 0.995 225 S CB 1.454 64.340 63.200 -0.524 0.000 1.084 225 S HN 1.357 nan 8.310 nan 0.000 0.507 226 H N -0.951 118.015 119.070 -0.174 0.000 2.840 226 H HA 0.724 5.271 4.556 -0.015 0.000 0.340 226 H C -0.087 175.152 175.328 -0.148 0.000 1.004 226 H CA -0.788 55.226 56.048 -0.056 0.000 1.288 226 H CB 0.867 30.687 29.762 0.096 0.000 1.607 226 H HN 0.893 nan 8.280 nan 0.000 0.522 227 G N 1.682 110.403 108.800 -0.130 0.000 2.451 227 G HA2 0.569 4.522 3.960 -0.011 0.000 0.303 227 G HA3 0.569 4.522 3.960 -0.011 0.000 0.303 227 G C -0.538 174.305 174.900 -0.094 0.000 1.166 227 G CA -0.626 44.399 45.100 -0.126 0.000 0.884 227 G HN 0.936 nan 8.290 nan 0.000 0.514 228 G N -1.072 107.699 108.800 -0.048 0.000 2.731 228 G HA2 0.463 4.417 3.960 -0.011 0.000 0.298 228 G HA3 0.463 4.417 3.960 -0.011 0.000 0.298 228 G C 0.490 175.429 174.900 0.064 0.000 1.424 228 G CA 0.431 45.528 45.100 -0.006 0.000 1.029 228 G HN 1.124 nan 8.290 nan 0.000 0.518 229 S N 0.349 116.070 115.700 0.035 0.000 2.593 229 S HA 0.420 4.883 4.470 -0.011 0.000 0.217 229 S C 1.628 176.231 174.600 0.005 0.000 0.966 229 S CA 0.947 59.160 58.200 0.022 0.000 0.914 229 S CB 0.262 63.436 63.200 -0.044 0.000 0.776 229 S HN 2.276 nan 8.310 nan 0.000 0.523 230 G N 0.895 109.726 108.800 0.052 0.000 2.551 230 G HA2 -0.159 3.794 3.960 -0.011 0.000 0.186 230 G HA3 -0.159 3.794 3.960 -0.011 0.000 0.186 230 G C 0.725 175.755 174.900 0.218 0.000 1.002 230 G CA 0.144 45.322 45.100 0.130 0.000 0.723 230 G HN 0.405 nan 8.290 nan 0.000 0.481 231 M N 1.066 120.736 119.600 0.118 0.000 2.509 231 M HA 0.245 4.718 4.480 -0.011 0.000 0.250 231 M C 0.723 177.089 176.300 0.109 0.000 1.132 231 M CA 0.562 55.957 55.300 0.159 0.000 1.080 231 M CB 0.823 33.479 32.600 0.093 0.000 1.408 231 M HN -0.013 nan 8.290 nan 0.000 0.484 232 V N 3.014 122.983 119.914 0.092 0.000 2.377 232 V HA -0.053 4.060 4.120 -0.011 0.000 0.254 232 V C 0.752 176.919 176.094 0.122 0.000 1.060 232 V CA 0.194 62.550 62.300 0.092 0.000 1.068 232 V CB -0.512 31.367 31.823 0.094 0.000 1.113 232 V HN 0.382 nan 8.190 nan 0.000 0.484 233 D N 2.581 123.048 120.400 0.111 0.000 2.182 233 D HA -0.150 4.483 4.640 -0.011 0.000 0.201 233 D C 1.998 178.399 176.300 0.168 0.000 0.986 233 D CA 1.300 55.376 54.000 0.127 0.000 0.847 233 D CB 0.212 41.066 40.800 0.090 0.000 0.942 233 D HN 0.555 nan 8.370 nan 0.000 0.467 234 S N 0.353 116.165 115.700 0.186 0.000 2.400 234 S HA -0.104 4.359 4.470 -0.011 0.000 0.232 234 S C 2.078 176.856 174.600 0.297 0.000 1.025 234 S CA 0.652 59.010 58.200 0.263 0.000 0.993 234 S CB 0.042 63.432 63.200 0.317 0.000 0.808 234 S HN 0.290 nan 8.310 nan 0.000 0.478 235 I N 0.451 121.129 120.570 0.180 0.000 2.685 235 I HA -0.041 4.122 4.170 -0.011 0.000 0.251 235 I C 2.429 178.704 176.117 0.264 0.000 1.102 235 I CA 0.893 62.239 61.300 0.075 0.000 1.442 235 I CB -0.302 37.645 38.000 -0.089 0.000 1.194 235 I HN 0.288 nan 8.210 nan 0.000 0.448 236 S N 0.979 116.850 115.700 0.285 0.000 2.447 236 S HA -0.037 4.426 4.470 -0.011 0.000 0.233 236 S C 1.584 176.373 174.600 0.316 0.000 1.006 236 S CA 0.629 59.033 58.200 0.339 0.000 0.957 236 S CB -0.194 63.123 63.200 0.195 0.000 0.773 236 S HN 0.383 nan 8.310 nan 0.000 0.507 237 R N -0.492 120.180 120.500 0.287 0.000 2.690 237 R HA 0.241 4.575 4.340 -0.011 0.000 0.419 237 R C 0.900 177.356 176.300 0.260 0.000 1.090 237 R CA -0.396 55.840 56.100 0.228 0.000 1.064 237 R CB -0.242 30.136 30.300 0.131 0.000 1.391 237 R HN 0.539 nan 8.270 nan 0.000 0.586 238 W N 1.382 122.754 121.300 0.120 0.000 2.290 238 W HA -0.373 4.279 4.660 -0.013 0.000 0.323 238 W C 1.280 177.846 176.519 0.077 0.000 1.260 238 W CA 2.534 59.915 57.345 0.059 0.000 1.266 238 W CB -0.091 29.357 29.460 -0.021 0.000 1.149 238 W HN 0.266 nan 8.180 nan 0.000 0.482 239 A N 0.056 122.927 122.820 0.085 0.000 1.872 239 A HA -0.240 4.074 4.320 -0.011 0.000 0.214 239 A C 1.945 179.491 177.584 -0.063 0.000 1.187 239 A CA 1.703 53.699 52.037 -0.067 0.000 0.614 239 A CB -1.199 17.837 19.000 0.060 0.000 0.826 239 A HN 0.521 nan 8.150 nan 0.000 0.442 240 E N 0.260 120.461 120.200 0.002 0.000 2.153 240 E HA -0.191 4.152 4.350 -0.011 0.000 0.194 240 E C 1.742 178.320 176.600 -0.037 0.000 0.988 240 E CA 1.488 57.877 56.400 -0.018 0.000 0.811 240 E CB -0.279 29.427 29.700 0.009 0.000 0.746 240 E HN 0.625 nan 8.360 nan 0.000 0.466 241 L N -1.359 119.850 121.223 -0.024 0.000 2.465 241 L HA 0.157 4.490 4.340 -0.011 0.000 0.224 241 L C 0.589 177.461 176.870 0.003 0.000 1.145 241 L CA 0.912 55.736 54.840 -0.027 0.000 0.834 241 L CB -0.159 41.896 42.059 -0.007 0.000 0.944 241 L HN 0.008 nan 8.230 nan 0.000 0.451 242 F N 3.301 123.112 119.950 -0.233 0.000 2.550 242 F HA 0.577 5.097 4.527 -0.011 0.000 0.348 242 F C -2.463 173.218 175.800 -0.198 0.000 1.219 242 F CA -3.191 54.663 58.000 -0.244 0.000 1.203 242 F CB 0.771 39.559 39.000 -0.354 0.000 1.436 242 F HN -0.043 nan 8.300 nan 0.000 0.541 243 P HA 0.084 nan 4.420 nan 0.000 0.226 243 P C 0.841 177.849 177.300 -0.486 0.000 1.783 243 P CA 0.273 63.163 63.100 -0.350 0.000 0.980 243 P CB -0.138 31.423 31.700 -0.232 0.000 1.967 244 S N 0.792 115.975 115.700 -0.861 0.000 2.399 244 S HA -0.195 4.268 4.470 -0.011 0.000 0.231 244 S C 1.467 175.869 174.600 -0.331 0.000 1.022 244 S CA 1.316 59.074 58.200 -0.737 0.000 0.983 244 S CB -0.869 61.696 63.200 -1.059 0.000 0.803 244 S HN 0.333 nan 8.310 nan 0.000 0.480 245 D N 1.493 121.733 120.400 -0.268 0.000 2.350 245 D HA -0.087 4.547 4.640 -0.011 0.000 0.216 245 D C 1.266 177.528 176.300 -0.064 0.000 0.968 245 D CA 0.798 54.719 54.000 -0.131 0.000 0.894 245 D CB -0.310 40.427 40.800 -0.105 0.000 0.909 245 D HN 0.495 nan 8.370 nan 0.000 0.520 246 K N -0.603 119.751 120.400 -0.077 0.000 2.358 246 K HA 0.198 4.511 4.320 -0.011 0.000 0.200 246 K C 0.240 176.928 176.600 0.146 0.000 1.030 246 K CA -0.421 55.882 56.287 0.027 0.000 1.097 246 K CB 0.705 33.184 32.500 -0.035 0.000 0.862 246 K HN -0.021 nan 8.250 nan 0.000 0.534 247 L N 3.434 124.692 121.223 0.059 0.000 2.387 247 L HA 0.085 4.418 4.340 -0.011 0.000 0.267 247 L C 0.599 177.605 176.870 0.227 0.000 1.197 247 L CA -0.021 54.924 54.840 0.175 0.000 1.070 247 L CB -0.061 42.019 42.059 0.034 0.000 1.349 247 L HN 0.161 nan 8.230 nan 0.000 0.422 248 N N 2.938 121.826 118.700 0.313 0.000 2.412 248 N HA -0.015 4.718 4.740 -0.011 0.000 0.184 248 N C 0.028 175.594 175.510 0.094 0.000 1.101 248 N CA 0.066 53.202 53.050 0.143 0.000 0.881 248 N CB 0.196 38.727 38.487 0.073 0.000 0.969 248 N HN 0.634 nan 8.380 nan 0.000 0.459 249 R N -1.685 118.918 120.500 0.173 0.000 2.733 249 R HA 0.555 4.889 4.340 -0.011 0.000 0.272 249 R C -3.326 173.122 176.300 0.246 0.000 1.029 249 R CA -1.656 54.500 56.100 0.094 0.000 0.888 249 R CB -0.038 30.208 30.300 -0.090 0.000 1.251 249 R HN -0.209 nan 8.270 nan 0.000 0.464 250 P HA 0.156 nan 4.420 nan 0.000 0.268 250 P C -1.083 176.417 177.300 0.333 0.000 1.205 250 P CA -0.028 63.197 63.100 0.208 0.000 0.771 250 P CB 0.947 32.721 31.700 0.122 0.000 0.858 251 A N 2.430 125.434 122.820 0.307 0.000 2.354 251 A HA 0.753 5.067 4.320 -0.011 0.000 0.321 251 A C -0.549 177.161 177.584 0.210 0.000 1.125 251 A CA -0.310 51.918 52.037 0.320 0.000 0.799 251 A CB 1.646 20.753 19.000 0.178 0.000 1.293 251 A HN 0.504 nan 8.150 nan 0.000 0.452 252 Q N -0.955 118.981 119.800 0.226 0.000 2.522 252 Q HA 0.721 5.054 4.340 -0.011 0.000 0.285 252 Q C -1.818 174.297 176.000 0.191 0.000 0.982 252 Q CA -0.689 55.211 55.803 0.161 0.000 0.805 252 Q CB 1.115 29.922 28.738 0.114 0.000 1.457 252 Q HN 1.693 nan 8.270 nan 0.000 0.394 253 V N -0.405 119.581 119.914 0.119 0.000 2.733 253 V HA 0.825 4.938 4.120 -0.011 0.000 0.306 253 V C -0.826 175.299 176.094 0.051 0.000 1.084 253 V CA -0.440 61.930 62.300 0.117 0.000 0.905 253 V CB 1.868 33.745 31.823 0.090 0.000 1.010 253 V HN 0.944 nan 8.190 nan 0.000 0.424 254 E N 1.787 122.021 120.200 0.057 0.000 2.210 254 E HA 0.871 5.214 4.350 -0.011 0.000 0.266 254 E C -0.560 176.065 176.600 0.043 0.000 0.883 254 E CA 0.131 56.547 56.400 0.026 0.000 0.761 254 E CB 1.873 31.590 29.700 0.028 0.000 1.156 254 E HN 1.480 nan 8.360 nan 0.000 0.412 255 A N 2.083 124.919 122.820 0.026 0.000 2.594 255 A HA 0.989 5.302 4.320 -0.011 0.000 0.295 255 A C -0.025 177.587 177.584 0.047 0.000 1.071 255 A CA -0.120 51.954 52.037 0.061 0.000 0.685 255 A CB 2.094 21.146 19.000 0.086 0.000 1.285 255 A HN 1.193 nan 8.150 nan 0.000 0.405 256 G N -0.587 108.262 108.800 0.082 0.000 2.601 256 G HA2 0.776 4.729 3.960 -0.011 0.000 0.291 256 G HA3 0.776 4.729 3.960 -0.011 0.000 0.291 256 G C -1.292 173.691 174.900 0.138 0.000 1.456 256 G CA -0.041 45.077 45.100 0.030 0.000 0.804 256 G HN 1.901 nan 8.290 nan 0.000 0.499 257 F N -0.632 119.354 119.950 0.059 0.000 2.613 257 F HA 0.927 5.449 4.527 -0.008 0.000 0.310 257 F C -0.810 175.022 175.800 0.052 0.000 1.085 257 F CA -1.652 56.383 58.000 0.058 0.000 0.945 257 F CB 1.805 40.845 39.000 0.067 0.000 1.298 257 F HN 0.400 nan 8.300 nan 0.000 0.455 258 R N 1.806 122.484 120.500 0.298 0.000 2.621 258 R HA 0.737 5.071 4.340 -0.011 0.000 0.292 258 R C -1.258 175.207 176.300 0.275 0.000 0.969 258 R CA -0.797 55.419 56.100 0.192 0.000 0.887 258 R CB 1.637 31.998 30.300 0.102 0.000 1.180 258 R HN 1.044 nan 8.270 nan 0.000 0.450 259 S N 0.253 116.102 115.700 0.249 0.000 2.550 259 S HA 0.743 5.206 4.470 -0.011 0.000 0.270 259 S C -1.173 173.504 174.600 0.128 0.000 1.145 259 S CA -0.788 57.526 58.200 0.190 0.000 0.852 259 S CB 2.554 65.876 63.200 0.205 0.000 1.119 259 S HN 0.583 nan 8.310 nan 0.000 0.465 260 D N -0.028 120.426 120.400 0.089 0.000 2.946 260 D HA 0.373 5.006 4.640 -0.011 0.000 0.337 260 D C 0.975 177.305 176.300 0.049 0.000 1.332 260 D CA 0.077 54.116 54.000 0.065 0.000 0.935 260 D CB 0.100 40.933 40.800 0.055 0.000 1.440 260 D HN 0.645 nan 8.370 nan 0.000 0.540 261 S N -1.578 114.145 115.700 0.038 0.000 2.500 261 S HA -0.159 4.304 4.470 -0.011 0.000 0.239 261 S C 1.366 175.984 174.600 0.031 0.000 0.989 261 S CA 1.442 59.659 58.200 0.029 0.000 0.951 261 S CB -0.486 62.727 63.200 0.021 0.000 0.759 261 S HN 0.369 nan 8.310 nan 0.000 0.523 262 Q N -0.007 119.815 119.800 0.036 0.000 2.297 262 Q HA 0.565 4.898 4.340 -0.011 0.000 0.203 262 Q C 1.063 177.088 176.000 0.042 0.000 0.931 262 Q CA 0.505 56.331 55.803 0.038 0.000 0.885 262 Q CB 0.402 29.163 28.738 0.038 0.000 0.991 262 Q HN 0.925 nan 8.270 nan 0.000 0.498 263 G N -0.958 107.869 108.800 0.046 0.000 2.320 263 G HA2 0.524 4.477 3.960 -0.011 0.000 0.296 263 G HA3 0.524 4.477 3.960 -0.011 0.000 0.296 263 G C -1.795 173.138 174.900 0.055 0.000 1.306 263 G CA -0.874 44.254 45.100 0.047 0.000 0.836 263 G HN 0.165 nan 8.290 nan 0.000 0.517 264 I N 0.155 120.755 120.570 0.051 0.000 2.647 264 I HA 0.589 4.752 4.170 -0.011 0.000 0.295 264 I C -0.590 175.575 176.117 0.079 0.000 1.078 264 I CA -0.608 60.729 61.300 0.063 0.000 1.048 264 I CB 2.584 40.590 38.000 0.009 0.000 1.239 264 I HN 0.545 nan 8.210 nan 0.000 0.421 265 E N 4.597 124.869 120.200 0.121 0.000 2.275 265 E HA 0.653 4.996 4.350 -0.011 0.000 0.270 265 E C -1.934 174.762 176.600 0.160 0.000 0.882 265 E CA -0.583 55.886 56.400 0.115 0.000 0.758 265 E CB 3.184 32.943 29.700 0.099 0.000 1.195 265 E HN 0.390 nan 8.360 nan 0.000 0.419 266 V N 2.576 122.572 119.914 0.136 0.000 2.876 266 V HA 0.786 4.900 4.120 -0.011 0.000 0.312 266 V C -1.695 174.476 176.094 0.129 0.000 1.085 266 V CA -0.292 62.109 62.300 0.168 0.000 0.945 266 V CB 2.009 33.934 31.823 0.170 0.000 1.017 266 V HN 0.574 nan 8.190 nan 0.000 0.428 267 K N 3.913 124.391 120.400 0.131 0.000 2.501 267 K HA 0.912 5.225 4.320 -0.011 0.000 0.252 267 K C -2.045 174.622 176.600 0.112 0.000 0.934 267 K CA -0.506 55.844 56.287 0.106 0.000 0.797 267 K CB 1.253 33.799 32.500 0.078 0.000 1.270 267 K HN 1.149 nan 8.250 nan 0.000 0.431 268 V N 1.773 121.756 119.914 0.115 0.000 2.841 268 V HA 0.626 4.740 4.120 -0.011 0.000 0.310 268 V C -1.370 174.791 176.094 0.111 0.000 1.090 268 V CA -0.641 61.730 62.300 0.119 0.000 0.930 268 V CB 2.295 34.204 31.823 0.143 0.000 1.014 268 V HN 1.077 nan 8.190 nan 0.000 0.425 269 D N 2.262 122.727 120.400 0.107 0.000 2.891 269 D HA 0.631 5.264 4.640 -0.011 0.000 0.224 269 D C -0.254 176.120 176.300 0.123 0.000 1.321 269 D CA -0.019 54.040 54.000 0.099 0.000 0.929 269 D CB 2.540 43.383 40.800 0.072 0.000 1.551 269 D HN 0.889 nan 8.370 nan 0.000 0.574 270 G N 0.785 109.668 108.800 0.137 0.000 2.649 270 G HA2 0.590 4.543 3.960 -0.011 0.000 0.290 270 G HA3 0.590 4.543 3.960 -0.011 0.000 0.290 270 G C -1.594 173.331 174.900 0.041 0.000 1.426 270 G CA -0.547 44.672 45.100 0.198 0.000 0.794 270 G HN 0.299 nan 8.290 nan 0.000 0.483 271 E N -0.662 119.572 120.200 0.056 0.000 2.311 271 E HA 0.616 4.960 4.350 -0.011 0.000 0.281 271 E C -1.681 174.905 176.600 -0.023 0.000 0.905 271 E CA -0.775 55.552 56.400 -0.122 0.000 0.778 271 E CB 1.734 31.497 29.700 0.105 0.000 1.240 271 E HN 0.612 nan 8.360 nan 0.000 0.410 272 F N 1.253 121.188 119.950 -0.026 0.000 2.770 272 F HA 0.609 5.130 4.527 -0.010 0.000 0.313 272 F C -2.969 172.312 175.800 -0.865 0.000 1.154 272 F CA -2.139 55.544 58.000 -0.529 0.000 0.923 272 F CB 0.395 39.207 39.000 -0.313 0.000 1.301 272 F HN 0.089 nan 8.300 nan 0.000 0.449 273 P HA 0.455 nan 4.420 nan 0.000 0.278 273 P C 0.394 177.525 177.300 -0.282 0.000 1.266 273 P CA 0.691 63.178 63.100 -1.022 0.000 0.807 273 P CB 1.519 32.513 31.700 -1.176 0.000 1.094 274 G N -0.841 107.849 108.800 -0.182 0.000 2.176 274 G HA2 -0.237 3.716 3.960 -0.011 0.000 0.232 274 G HA3 -0.237 3.716 3.960 -0.011 0.000 0.232 274 G C 0.702 175.601 174.900 -0.002 0.000 0.986 274 G CA 0.154 45.213 45.100 -0.068 0.000 0.643 274 G HN 0.348 nan 8.290 nan 0.000 0.522 275 V N 0.875 120.788 119.914 -0.001 0.000 2.667 275 V HA 0.190 4.303 4.120 -0.011 0.000 0.252 275 V C 1.644 177.738 176.094 0.000 0.000 1.065 275 V CA 2.121 64.426 62.300 0.009 0.000 1.083 275 V CB -0.051 31.740 31.823 -0.055 0.000 0.692 275 V HN 1.203 nan 8.190 nan 0.000 0.468 276 S N 0.003 115.711 115.700 0.013 0.000 2.599 276 S HA 0.817 5.280 4.470 -0.011 0.000 0.294 276 S C -0.823 173.784 174.600 0.011 0.000 1.094 276 S CA -0.264 57.964 58.200 0.048 0.000 0.931 276 S CB 2.363 65.651 63.200 0.147 0.000 1.093 276 S HN 0.600 nan 8.310 nan 0.000 0.488 277 V N -1.372 118.535 119.914 -0.011 0.000 3.114 277 V HA 0.650 4.763 4.120 -0.011 0.000 0.308 277 V C -1.138 174.920 176.094 -0.060 0.000 1.168 277 V CA -0.985 61.296 62.300 -0.031 0.000 1.015 277 V CB 1.714 33.520 31.823 -0.028 0.000 1.050 277 V HN 0.960 nan 8.190 nan 0.000 0.433 278 D N 2.035 122.403 120.400 -0.053 0.000 2.417 278 D HA 0.517 5.150 4.640 -0.011 0.000 0.250 278 D C 0.711 176.972 176.300 -0.064 0.000 1.166 278 D CA 0.750 54.712 54.000 -0.063 0.000 0.881 278 D CB 1.843 42.619 40.800 -0.040 0.000 1.164 278 D HN 1.039 nan 8.370 nan 0.000 0.467 279 A N 2.932 125.703 122.820 -0.081 0.000 2.390 279 A HA 0.579 4.892 4.320 -0.011 0.000 0.232 279 A C 1.009 178.558 177.584 -0.058 0.000 1.233 279 A CA 0.594 52.591 52.037 -0.067 0.000 0.907 279 A CB -0.396 18.558 19.000 -0.077 0.000 0.967 279 A HN 0.999 nan 8.150 nan 0.000 0.512 280 G N -1.962 106.806 108.800 -0.054 0.000 2.758 280 G HA2 0.375 4.328 3.960 -0.011 0.000 0.686 280 G HA3 0.375 4.328 3.960 -0.011 0.000 0.686 280 G C 1.056 175.928 174.900 -0.045 0.000 1.389 280 G CA 0.212 45.286 45.100 -0.043 0.000 0.845 280 G HN 2.068 nan 8.290 nan 0.000 0.572 281 G N -0.967 107.812 108.800 -0.036 0.000 2.153 281 G HA2 0.359 4.312 3.960 -0.011 0.000 0.252 281 G HA3 0.359 4.312 3.960 -0.011 0.000 0.252 281 G C 1.914 176.794 174.900 -0.033 0.000 0.994 281 G CA 1.024 46.105 45.100 -0.033 0.000 0.698 281 G HN 3.185 nan 8.290 nan 0.000 0.521 282 G N -1.876 106.903 108.800 -0.035 0.000 2.176 282 G HA2 -0.198 3.755 3.960 -0.011 0.000 0.253 282 G HA3 -0.198 3.755 3.960 -0.011 0.000 0.253 282 G C 0.407 175.275 174.900 -0.052 0.000 0.979 282 G CA 0.676 45.755 45.100 -0.034 0.000 0.641 282 G HN 1.336 nan 8.290 nan 0.000 0.530 283 L N -0.060 121.119 121.223 -0.073 0.000 2.399 283 L HA 0.761 5.094 4.340 -0.011 0.000 0.265 283 L C 1.018 177.771 176.870 -0.196 0.000 1.089 283 L CA -0.949 53.820 54.840 -0.119 0.000 0.802 283 L CB 1.178 43.185 42.059 -0.087 0.000 1.180 283 L HN 0.088 nan 8.230 nan 0.000 0.454 284 R N 0.850 121.118 120.500 -0.387 0.000 2.854 284 R HA 0.647 4.980 4.340 -0.011 0.000 0.271 284 R C -1.113 174.945 176.300 -0.404 0.000 0.996 284 R CA -0.952 54.861 56.100 -0.477 0.000 0.961 284 R CB 2.731 32.535 30.300 -0.826 0.000 1.182 284 R HN 0.651 nan 8.270 nan 0.000 0.479 285 R N 0.822 121.220 120.500 -0.169 0.000 2.837 285 R HA 0.485 4.818 4.340 -0.011 0.000 0.271 285 R C -0.425 175.908 176.300 0.055 0.000 0.993 285 R CA -0.923 55.166 56.100 -0.019 0.000 0.931 285 R CB 0.843 31.127 30.300 -0.027 0.000 1.206 285 R HN 0.260 nan 8.270 nan 0.000 0.474 286 I N 3.426 124.021 120.570 0.043 0.000 2.634 286 I HA 0.043 4.206 4.170 -0.011 0.000 0.284 286 I C 1.111 177.201 176.117 -0.047 0.000 1.124 286 I CA -0.362 60.925 61.300 -0.022 0.000 1.417 286 I CB 0.403 38.318 38.000 -0.142 0.000 1.396 286 I HN 0.697 nan 8.210 nan 0.000 0.571 287 L N 4.976 126.176 121.223 -0.038 0.000 2.506 287 L HA 0.158 4.492 4.340 -0.011 0.000 0.281 287 L C 0.493 177.340 176.870 -0.037 0.000 1.228 287 L CA -0.289 54.529 54.840 -0.035 0.000 0.850 287 L CB -0.025 42.015 42.059 -0.031 0.000 1.110 287 L HN 0.447 nan 8.230 nan 0.000 0.496 288 N N 1.253 119.945 118.700 -0.013 0.000 2.412 288 N HA -0.056 4.677 4.740 -0.011 0.000 0.254 288 N C -0.052 175.486 175.510 0.046 0.000 1.232 288 N CA 0.084 53.148 53.050 0.023 0.000 0.880 288 N CB -0.016 38.486 38.487 0.024 0.000 1.076 288 N HN 0.635 nan 8.380 nan 0.000 0.458 289 H N 3.618 122.713 119.070 0.042 0.000 3.004 289 H HA 0.073 4.623 4.556 -0.011 0.000 0.316 289 H C -1.919 173.440 175.328 0.053 0.000 1.014 289 H CA -1.014 55.073 56.048 0.066 0.000 1.454 289 H CB 0.365 30.212 29.762 0.142 0.000 1.472 289 H HN 0.359 nan 8.280 nan 0.000 0.571 290 P HA -0.023 nan 4.420 nan 0.000 0.268 290 P C 0.880 178.325 177.300 0.242 0.000 1.205 290 P CA -0.070 63.105 63.100 0.124 0.000 0.771 290 P CB 1.195 32.909 31.700 0.023 0.000 0.858 291 L N 2.240 123.548 121.223 0.143 0.000 2.127 291 L HA -0.068 4.265 4.340 -0.011 0.000 0.203 291 L C 2.437 179.321 176.870 0.023 0.000 1.080 291 L CA 0.586 55.490 54.840 0.106 0.000 0.768 291 L CB -0.577 41.555 42.059 0.122 0.000 0.924 291 L HN 0.280 nan 8.230 nan 0.000 0.444 292 I N 0.790 121.337 120.570 -0.038 0.000 2.113 292 I HA -0.234 3.930 4.170 -0.011 0.000 0.242 292 I C -0.000 175.967 176.117 -0.249 0.000 1.057 292 I CA 2.198 63.358 61.300 -0.234 0.000 1.314 292 I CB -2.526 35.309 38.000 -0.275 0.000 1.022 292 I HN 0.191 nan 8.210 nan 0.000 0.408 293 P HA -0.126 nan 4.420 nan 0.000 0.216 293 P C 2.263 179.586 177.300 0.037 0.000 1.150 293 P CA 1.371 64.478 63.100 0.012 0.000 0.837 293 P CB -0.068 31.682 31.700 0.082 0.000 0.786 294 L N -1.484 119.743 121.223 0.007 0.000 2.072 294 L HA -0.104 4.229 4.340 -0.011 0.000 0.205 294 L C 2.400 179.262 176.870 -0.014 0.000 1.079 294 L CA 1.156 55.964 54.840 -0.054 0.000 0.752 294 L CB -1.061 40.906 42.059 -0.153 0.000 0.906 294 L HN -0.144 nan 8.230 nan 0.000 0.436 295 V N -0.740 119.171 119.914 -0.005 0.000 2.358 295 V HA -0.277 3.836 4.120 -0.011 0.000 0.246 295 V C 2.311 178.487 176.094 0.136 0.000 1.047 295 V CA 1.706 64.026 62.300 0.034 0.000 1.035 295 V CB -0.743 31.100 31.823 0.034 0.000 0.658 295 V HN 0.470 nan 8.190 nan 0.000 0.452 296 H N -1.321 117.751 119.070 0.003 0.000 2.326 296 H HA -0.160 4.389 4.556 -0.012 0.000 0.301 296 H C 2.388 177.712 175.328 -0.007 0.000 1.081 296 H CA 1.447 57.493 56.048 -0.003 0.000 1.334 296 H CB -0.044 29.727 29.762 0.015 0.000 1.385 296 H HN 0.436 nan 8.280 nan 0.000 0.504 297 H N 0.840 119.947 119.070 0.062 0.000 2.456 297 H HA -0.075 4.475 4.556 -0.009 0.000 0.296 297 H C 2.197 177.471 175.328 -0.090 0.000 1.079 297 H CA 1.085 57.115 56.048 -0.029 0.000 1.322 297 H CB -0.165 29.566 29.762 -0.053 0.000 1.388 297 H HN 0.440 nan 8.280 nan 0.000 0.538 298 G N 0.543 109.336 108.800 -0.011 0.000 2.448 298 G HA2 -0.227 3.727 3.960 -0.011 0.000 0.219 298 G HA3 -0.227 3.727 3.960 -0.011 0.000 0.219 298 G C 1.782 176.560 174.900 -0.203 0.000 1.127 298 G CA 0.595 45.633 45.100 -0.105 0.000 0.766 298 G HN 0.388 nan 8.290 nan 0.000 0.552 299 M N 0.447 119.947 119.600 -0.168 0.000 2.460 299 M HA 0.023 4.496 4.480 -0.011 0.000 0.263 299 M C 2.146 178.258 176.300 -0.315 0.000 1.071 299 M CA 0.935 56.129 55.300 -0.177 0.000 1.096 299 M CB 0.178 32.725 32.600 -0.089 0.000 1.408 299 M HN 0.249 nan 8.290 nan 0.000 0.463 300 V N -5.067 114.581 119.914 -0.443 0.000 3.477 300 V HA 0.409 4.522 4.120 -0.011 0.000 0.297 300 V C 1.514 177.176 176.094 -0.720 0.000 1.433 300 V CA 0.553 62.523 62.300 -0.549 0.000 1.052 300 V CB -0.544 31.113 31.823 -0.277 0.000 0.895 300 V HN 0.306 nan 8.190 nan 0.000 0.438 301 G N 0.623 109.042 108.800 -0.635 0.000 2.985 301 G HA2 0.097 4.050 3.960 -0.011 0.000 0.209 301 G HA3 0.097 4.050 3.960 -0.011 0.000 0.209 301 G C 1.081 175.830 174.900 -0.252 0.000 1.165 301 G CA 0.089 44.963 45.100 -0.377 0.000 0.776 301 G HN 0.552 nan 8.290 nan 0.000 0.541 302 K N -0.074 120.030 120.400 -0.495 0.000 2.414 302 K HA 0.246 4.560 4.320 -0.011 0.000 0.204 302 K C 0.528 177.022 176.600 -0.176 0.000 1.026 302 K CA -0.353 55.758 56.287 -0.292 0.000 1.108 302 K CB 0.303 32.635 32.500 -0.280 0.000 0.855 302 K HN 0.219 nan 8.250 nan 0.000 0.517 303 F N 0.962 120.919 119.950 0.011 0.000 2.664 303 F HA 0.153 4.667 4.527 -0.023 0.000 0.296 303 F C 0.510 176.327 175.800 0.028 0.000 1.125 303 F CA -0.049 57.953 58.000 0.004 0.000 1.444 303 F CB 0.045 39.033 39.000 -0.019 0.000 1.114 303 F HN -0.097 nan 8.300 nan 0.000 0.576 304 N N 0.342 119.166 118.700 0.205 0.000 2.260 304 N HA 0.104 4.838 4.740 -0.011 0.000 0.293 304 N C -1.209 174.429 175.510 0.213 0.000 1.058 304 N CA -0.504 52.651 53.050 0.176 0.000 0.824 304 N CB 1.563 40.143 38.487 0.155 0.000 1.551 304 N HN -0.112 nan 8.380 nan 0.000 0.475 305 N N 1.481 120.256 118.700 0.126 0.000 2.492 305 N HA 0.227 4.961 4.740 -0.011 0.000 0.262 305 N C -0.811 174.783 175.510 0.139 0.000 1.202 305 N CA 0.553 53.632 53.050 0.049 0.000 0.926 305 N CB 0.454 38.936 38.487 -0.008 0.000 1.078 305 N HN 0.418 nan 8.380 nan 0.000 0.454 306 F N -0.071 119.867 119.950 -0.020 0.000 2.626 306 F HA 0.543 5.061 4.527 -0.015 0.000 0.311 306 F C -0.479 175.299 175.800 -0.036 0.000 1.088 306 F CA -1.318 56.665 58.000 -0.028 0.000 0.949 306 F CB 0.981 39.961 39.000 -0.033 0.000 1.322 306 F HN 0.096 nan 8.300 nan 0.000 0.461 307 N N 0.729 119.518 118.700 0.148 0.000 2.456 307 N HA 0.558 5.291 4.740 -0.011 0.000 0.296 307 N C -1.307 174.308 175.510 0.175 0.000 1.102 307 N CA -0.528 52.561 53.050 0.065 0.000 0.924 307 N CB 2.413 40.914 38.487 0.024 0.000 1.186 307 N HN 0.516 nan 8.380 nan 0.000 0.492 308 V N 1.275 121.261 119.914 0.121 0.000 2.394 308 V HA 0.199 4.313 4.120 -0.011 0.000 0.282 308 V C -0.282 175.847 176.094 0.058 0.000 1.031 308 V CA -0.569 61.808 62.300 0.128 0.000 0.881 308 V CB 1.368 33.274 31.823 0.137 0.000 0.982 308 V HN 0.620 nan 8.190 nan 0.000 0.451 309 D N 4.221 124.632 120.400 0.018 0.000 2.404 309 D HA 0.616 5.249 4.640 -0.011 0.000 0.267 309 D C -0.344 176.023 176.300 0.111 0.000 1.194 309 D CA -0.014 54.024 54.000 0.065 0.000 0.910 309 D CB 1.057 41.885 40.800 0.047 0.000 1.090 309 D HN 0.736 nan 8.370 nan 0.000 0.511 310 A N 2.965 125.885 122.820 0.166 0.000 2.401 310 A HA 0.777 5.090 4.320 -0.011 0.000 0.310 310 A C -0.908 176.882 177.584 0.342 0.000 1.075 310 A CA -0.770 51.401 52.037 0.224 0.000 0.746 310 A CB 1.794 20.966 19.000 0.286 0.000 1.277 310 A HN 0.453 nan 8.150 nan 0.000 0.425 311 Q N 0.597 120.571 119.800 0.291 0.000 2.345 311 Q HA 0.631 4.965 4.340 -0.011 0.000 0.275 311 Q C -2.286 173.896 176.000 0.304 0.000 1.063 311 Q CA -0.695 55.284 55.803 0.294 0.000 0.819 311 Q CB 2.216 31.055 28.738 0.167 0.000 1.356 311 Q HN 0.816 nan 8.270 nan 0.000 0.418 312 L N 2.756 124.128 121.223 0.249 0.000 2.365 312 L HA 0.647 4.980 4.340 -0.011 0.000 0.273 312 L C -1.737 175.302 176.870 0.281 0.000 1.000 312 L CA -0.159 54.835 54.840 0.257 0.000 0.819 312 L CB 1.816 43.910 42.059 0.058 0.000 1.284 312 L HN 0.592 nan 8.230 nan 0.000 0.418 313 K N 4.108 124.650 120.400 0.237 0.000 2.463 313 K HA 0.721 5.034 4.320 -0.011 0.000 0.255 313 K C -1.993 174.720 176.600 0.188 0.000 0.942 313 K CA -0.651 55.771 56.287 0.225 0.000 0.814 313 K CB 1.807 34.390 32.500 0.138 0.000 1.122 313 K HN 0.533 nan 8.250 nan 0.000 0.425 314 V N 4.776 124.844 119.914 0.256 0.000 2.409 314 V HA 0.341 4.454 4.120 -0.011 0.000 0.291 314 V C -0.720 175.450 176.094 0.126 0.000 1.020 314 V CA -0.883 61.503 62.300 0.144 0.000 0.848 314 V CB 1.711 33.614 31.823 0.132 0.000 0.990 314 V HN 0.539 nan 8.190 nan 0.000 0.430 315 V N 6.721 126.653 119.914 0.030 0.000 2.328 315 V HA 0.434 4.547 4.120 -0.011 0.000 0.278 315 V C 0.124 176.181 176.094 -0.062 0.000 1.021 315 V CA -0.429 61.879 62.300 0.014 0.000 0.838 315 V CB 1.298 33.120 31.823 -0.001 0.000 0.999 315 V HN 0.623 nan 8.190 nan 0.000 0.447 316 L N 6.436 127.629 121.223 -0.051 0.000 2.439 316 L HA 0.451 4.784 4.340 -0.011 0.000 0.261 316 L C -2.094 174.727 176.870 -0.082 0.000 1.153 316 L CA -1.771 52.968 54.840 -0.168 0.000 0.808 316 L CB 0.907 42.901 42.059 -0.109 0.000 1.126 316 L HN 0.383 nan 8.230 nan 0.000 0.460 317 P HA -0.011 nan 4.420 nan 0.000 0.272 317 P C -0.667 176.742 177.300 0.181 0.000 1.223 317 P CA -0.532 62.555 63.100 -0.022 0.000 0.784 317 P CB 0.500 32.111 31.700 -0.148 0.000 0.923 318 K N 1.688 122.177 120.400 0.149 0.000 2.511 318 K HA 0.231 4.544 4.320 -0.011 0.000 0.280 318 K C 1.323 178.040 176.600 0.196 0.000 1.008 318 K CA 0.865 57.236 56.287 0.139 0.000 1.050 318 K CB -1.476 31.070 32.500 0.078 0.000 0.889 318 K HN 0.951 nan 8.250 nan 0.000 0.484 319 G N 2.342 111.220 108.800 0.129 0.000 2.176 319 G HA2 -0.269 3.684 3.960 -0.011 0.000 0.253 319 G HA3 -0.269 3.684 3.960 -0.011 0.000 0.253 319 G C -0.107 174.796 174.900 0.005 0.000 0.979 319 G CA 0.594 45.723 45.100 0.047 0.000 0.641 319 G HN 0.726 nan 8.290 nan 0.000 0.530 320 Y N 1.386 121.737 120.300 0.086 0.000 2.387 320 Y HA 0.628 5.171 4.550 -0.011 0.000 0.330 320 Y C 0.800 176.786 175.900 0.144 0.000 1.133 320 Y CA -0.242 57.939 58.100 0.135 0.000 1.152 320 Y CB 1.424 39.993 38.460 0.182 0.000 1.215 320 Y HN 0.245 nan 8.280 nan 0.000 0.466 321 K N 2.348 122.932 120.400 0.307 0.000 2.482 321 K HA 0.535 4.848 4.320 -0.011 0.000 0.257 321 K C -1.384 175.341 176.600 0.208 0.000 0.969 321 K CA -0.721 55.721 56.287 0.258 0.000 0.842 321 K CB 2.137 34.765 32.500 0.213 0.000 1.359 321 K HN 0.619 nan 8.250 nan 0.000 0.441 322 I N 3.024 123.624 120.570 0.051 0.000 2.452 322 I HA 0.084 4.247 4.170 -0.011 0.000 0.287 322 I C 1.236 177.446 176.117 0.155 0.000 1.079 322 I CA -0.425 60.873 61.300 -0.003 0.000 1.387 322 I CB 0.701 38.465 38.000 -0.393 0.000 1.404 322 I HN 0.483 nan 8.210 nan 0.000 0.522 323 R N 4.990 125.603 120.500 0.188 0.000 2.206 323 R HA 0.114 4.447 4.340 -0.011 0.000 0.198 323 R C -0.505 175.959 176.300 0.273 0.000 0.986 323 R CA 0.485 56.702 56.100 0.194 0.000 1.029 323 R CB 0.238 30.629 30.300 0.151 0.000 0.966 323 R HN 0.621 nan 8.270 nan 0.000 0.487 324 Y N -0.489 119.879 120.300 0.114 0.000 2.436 324 Y HA 0.507 5.050 4.550 -0.012 0.000 0.327 324 Y C -1.962 174.030 175.900 0.154 0.000 1.138 324 Y CA -1.116 57.050 58.100 0.111 0.000 1.042 324 Y CB 1.702 40.205 38.460 0.071 0.000 1.302 324 Y HN 0.020 nan 8.280 nan 0.000 0.439 325 A N 3.958 126.549 122.820 -0.383 0.000 2.459 325 A HA 0.945 5.258 4.320 -0.011 0.000 0.296 325 A C -1.772 175.600 177.584 -0.353 0.000 1.039 325 A CA -0.087 51.864 52.037 -0.144 0.000 0.698 325 A CB 1.055 20.290 19.000 0.391 0.000 1.261 325 A HN 1.655 nan 8.150 nan 0.000 0.405 326 A N 3.900 126.609 122.820 -0.184 0.000 2.476 326 A HA 0.806 5.119 4.320 -0.011 0.000 0.280 326 A C -3.192 174.416 177.584 0.040 0.000 1.081 326 A CA -1.351 50.617 52.037 -0.116 0.000 0.753 326 A CB 1.027 19.906 19.000 -0.201 0.000 1.248 326 A HN 0.493 nan 8.150 nan 0.000 0.424 327 P HA 0.233 nan 4.420 nan 0.000 0.270 327 P C -0.274 177.129 177.300 0.170 0.000 1.223 327 P CA -0.061 62.987 63.100 -0.086 0.000 0.785 327 P CB 0.534 32.136 31.700 -0.163 0.000 0.923 328 Q N 1.255 121.076 119.800 0.035 0.000 2.373 328 Q HA 0.159 4.493 4.340 -0.011 0.000 0.255 328 Q C -0.726 175.110 176.000 -0.272 0.000 0.980 328 Q CA -0.018 55.708 55.803 -0.128 0.000 0.882 328 Q CB -0.145 28.430 28.738 -0.273 0.000 1.249 328 Q HN 0.394 nan 8.270 nan 0.000 0.438 329 Y N 0.676 120.622 120.300 -0.589 0.000 2.314 329 Y HA 0.308 4.851 4.550 -0.012 0.000 0.334 329 Y C 1.026 176.569 175.900 -0.596 0.000 1.266 329 Y CA -0.634 56.650 58.100 -1.360 0.000 1.391 329 Y CB 0.619 38.076 38.460 -1.671 0.000 1.306 329 Y HN 0.742 nan 8.280 nan 0.000 0.558 330 R N 0.785 121.110 120.500 -0.293 0.000 2.112 330 R HA 0.147 4.481 4.340 -0.011 0.000 0.216 330 R C -0.399 175.890 176.300 -0.019 0.000 1.080 330 R CA 0.954 56.983 56.100 -0.118 0.000 0.996 330 R CB 0.072 30.339 30.300 -0.055 0.000 0.902 330 R HN 0.925 nan 8.270 nan 0.000 0.449 331 S N -1.120 114.591 115.700 0.018 0.000 2.596 331 S HA 0.292 4.756 4.470 -0.011 0.000 0.270 331 S C -1.506 173.015 174.600 -0.131 0.000 1.155 331 S CA -0.945 57.250 58.200 -0.008 0.000 0.827 331 S CB 2.100 65.272 63.200 -0.046 0.000 1.130 331 S HN 0.189 nan 8.310 nan 0.000 0.467 332 Q N 0.928 120.597 119.800 -0.219 0.000 2.309 332 Q HA 0.473 4.807 4.340 -0.011 0.000 0.273 332 Q C -2.214 173.572 176.000 -0.356 0.000 1.040 332 Q CA -0.487 55.009 55.803 -0.511 0.000 0.834 332 Q CB 1.878 30.165 28.738 -0.752 0.000 1.345 332 Q HN 0.783 nan 8.270 nan 0.000 0.414 333 N N 5.147 123.626 118.700 -0.367 0.000 2.617 333 N HA 0.385 5.118 4.740 -0.011 0.000 0.263 333 N C 0.076 175.447 175.510 -0.232 0.000 1.074 333 N CA -0.137 52.779 53.050 -0.223 0.000 0.841 333 N CB 0.476 38.876 38.487 -0.146 0.000 1.221 333 N HN 0.909 nan 8.380 nan 0.000 0.529 334 L N 0.840 121.939 121.223 -0.207 0.000 5.712 334 L HA -0.404 3.930 4.340 -0.011 0.000 0.053 334 L C 0.788 177.530 176.870 -0.212 0.000 2.787 334 L CA 1.550 56.296 54.840 -0.157 0.000 1.527 334 L CB -0.858 41.146 42.059 -0.092 0.000 2.908 334 L HN 0.486 nan 8.230 nan 0.000 0.994 335 E N 0.006 120.133 120.200 -0.122 0.000 2.474 335 E HA 0.023 4.367 4.350 -0.011 0.000 0.194 335 E C 0.208 176.780 176.600 -0.046 0.000 1.041 335 E CA 0.347 56.722 56.400 -0.041 0.000 0.874 335 E CB 0.211 29.931 29.700 0.032 0.000 0.914 335 E HN 0.377 nan 8.360 nan 0.000 0.498 336 E N 0.456 120.553 120.200 -0.171 0.000 2.200 336 E HA 0.141 4.484 4.350 -0.011 0.000 0.283 336 E C -1.142 175.286 176.600 -0.286 0.000 1.015 336 E CA -0.399 55.937 56.400 -0.107 0.000 0.819 336 E CB 0.458 30.110 29.700 -0.081 0.000 1.081 336 E HN 0.038 nan 8.360 nan 0.000 0.397 337 Y N 2.999 123.222 120.300 -0.128 0.000 2.429 337 Y HA 0.487 5.030 4.550 -0.011 0.000 0.342 337 Y C 0.185 176.039 175.900 -0.077 0.000 1.004 337 Y CA -1.120 56.818 58.100 -0.270 0.000 1.075 337 Y CB 1.903 40.068 38.460 -0.492 0.000 1.214 337 Y HN 0.367 nan 8.280 nan 0.000 0.455 338 R N 2.105 122.574 120.500 -0.050 0.000 2.670 338 R HA 0.399 4.732 4.340 -0.011 0.000 0.289 338 R C -1.539 174.747 176.300 -0.024 0.000 0.965 338 R CA -0.805 55.351 56.100 0.094 0.000 0.899 338 R CB 2.139 32.470 30.300 0.052 0.000 1.173 338 R HN 0.677 nan 8.270 nan 0.000 0.456 339 W N 1.282 122.543 121.300 -0.064 0.000 2.666 339 W HA 0.456 5.110 4.660 -0.009 0.000 0.334 339 W C -0.224 176.219 176.519 -0.128 0.000 1.051 339 W CA -0.555 56.672 57.345 -0.195 0.000 1.224 339 W CB 2.337 31.384 29.460 -0.688 0.000 1.405 339 W HN 0.645 nan 8.180 nan 0.000 0.513 340 S N 1.418 117.267 115.700 0.249 0.000 2.580 340 S HA 0.681 5.144 4.470 -0.011 0.000 0.281 340 S C -0.320 174.453 174.600 0.288 0.000 1.129 340 S CA -0.067 58.332 58.200 0.332 0.000 0.862 340 S CB 1.124 64.457 63.200 0.222 0.000 1.090 340 S HN 1.366 nan 8.310 nan 0.000 0.451 341 G N 1.189 110.163 108.800 0.291 0.000 2.806 341 G HA2 0.313 4.266 3.960 -0.011 0.000 0.236 341 G HA3 0.313 4.266 3.960 -0.011 0.000 0.236 341 G C 1.155 176.165 174.900 0.183 0.000 1.387 341 G CA 0.757 45.970 45.100 0.189 0.000 0.884 341 G HN 2.730 nan 8.290 nan 0.000 0.560 342 G N -0.906 107.961 108.800 0.112 0.000 2.614 342 G HA2 0.101 4.054 3.960 -0.011 0.000 0.303 342 G HA3 0.101 4.054 3.960 -0.011 0.000 0.303 342 G C 1.818 176.772 174.900 0.091 0.000 1.270 342 G CA 2.572 47.722 45.100 0.084 0.000 0.988 342 G HN 2.555 nan 8.290 nan 0.000 0.551 343 A N -1.746 121.124 122.820 0.083 0.000 2.024 343 A HA 0.078 4.391 4.320 -0.011 0.000 0.220 343 A C 2.174 179.824 177.584 0.110 0.000 1.164 343 A CA 2.582 54.660 52.037 0.068 0.000 0.643 343 A CB -0.495 18.524 19.000 0.031 0.000 0.806 343 A HN 1.405 nan 8.150 nan 0.000 0.451 344 Y N 0.553 120.892 120.300 0.065 0.000 2.200 344 Y HA -0.018 4.526 4.550 -0.010 0.000 0.290 344 Y C 2.600 178.610 175.900 0.184 0.000 1.137 344 Y CA 0.970 59.125 58.100 0.091 0.000 1.163 344 Y CB -0.622 37.953 38.460 0.192 0.000 0.988 344 Y HN 0.297 nan 8.280 nan 0.000 0.518 345 A N 0.686 123.545 122.820 0.065 0.000 1.902 345 A HA -0.195 4.118 4.320 -0.011 0.000 0.217 345 A C 2.343 179.906 177.584 -0.035 0.000 1.181 345 A CA 1.835 53.871 52.037 -0.001 0.000 0.623 345 A CB -0.614 18.434 19.000 0.080 0.000 0.818 345 A HN 0.521 nan 8.150 nan 0.000 0.443 346 R N -2.415 118.084 120.500 -0.001 0.000 2.115 346 R HA -0.176 4.157 4.340 -0.011 0.000 0.230 346 R C 1.998 178.293 176.300 -0.009 0.000 1.111 346 R CA 1.442 57.536 56.100 -0.010 0.000 0.976 346 R CB -0.336 29.963 30.300 -0.002 0.000 0.870 346 R HN 0.801 nan 8.270 nan 0.000 0.445 347 W N 0.799 121.983 121.300 -0.194 0.000 2.388 347 W HA -0.148 4.508 4.660 -0.007 0.000 0.294 347 W C 1.665 178.089 176.519 -0.158 0.000 1.212 347 W CA 0.925 58.145 57.345 -0.208 0.000 1.271 347 W CB -0.119 29.150 29.460 -0.318 0.000 1.126 347 W HN -0.254 nan 8.180 nan 0.000 0.535 348 V N 0.727 120.458 119.914 -0.305 0.000 2.307 348 V HA -0.314 3.800 4.120 -0.011 0.000 0.245 348 V C 2.295 178.265 176.094 -0.206 0.000 1.045 348 V CA 2.392 64.468 62.300 -0.375 0.000 1.024 348 V CB -1.017 30.674 31.823 -0.220 0.000 0.651 348 V HN 0.289 nan 8.190 nan 0.000 0.449 349 E N -0.040 120.128 120.200 -0.054 0.000 2.049 349 E HA -0.352 3.991 4.350 -0.011 0.000 0.198 349 E C 2.176 178.768 176.600 -0.013 0.000 1.007 349 E CA 2.138 58.574 56.400 0.061 0.000 0.809 349 E CB -0.279 29.377 29.700 -0.073 0.000 0.749 349 E HN 0.812 nan 8.360 nan 0.000 0.450 350 H N 0.276 119.217 119.070 -0.216 0.000 2.265 350 H HA -0.165 4.387 4.556 -0.007 0.000 0.295 350 H C 2.164 177.303 175.328 -0.314 0.000 1.084 350 H CA 3.152 59.053 56.048 -0.245 0.000 1.261 350 H CB -0.363 29.246 29.762 -0.255 0.000 1.360 350 H HN 0.175 nan 8.280 nan 0.000 0.487 351 V N -1.926 117.682 119.914 -0.511 0.000 2.515 351 V HA -0.186 3.927 4.120 -0.011 0.000 0.250 351 V C 2.494 178.370 176.094 -0.365 0.000 1.058 351 V CA 1.591 63.544 62.300 -0.579 0.000 1.064 351 V CB -1.260 30.027 31.823 -0.894 0.000 0.675 351 V HN 0.619 nan 8.190 nan 0.000 0.461 352 C N 0.231 119.379 119.300 -0.253 0.000 2.432 352 C HA 0.043 4.497 4.460 -0.011 0.000 0.282 352 C C 2.620 177.638 174.990 0.047 0.000 1.388 352 C CA 1.285 60.242 59.018 -0.102 0.000 1.777 352 C CB -1.289 26.417 27.740 -0.056 0.000 1.882 352 C HN 0.602 nan 8.230 nan 0.000 0.520 353 K N -0.478 119.901 120.400 -0.035 0.000 2.367 353 K HA 0.235 4.549 4.320 -0.011 0.000 0.194 353 K C 1.384 177.900 176.600 -0.140 0.000 1.027 353 K CA 0.767 57.018 56.287 -0.060 0.000 1.075 353 K CB 0.404 32.870 32.500 -0.056 0.000 0.845 353 K HN 0.470 nan 8.250 nan 0.000 0.529 354 G N 0.829 109.517 108.800 -0.185 0.000 2.227 354 G HA2 -0.164 3.789 3.960 -0.011 0.000 0.168 354 G HA3 -0.164 3.789 3.960 -0.011 0.000 0.168 354 G C 0.338 175.074 174.900 -0.273 0.000 1.006 354 G CA -0.462 44.530 45.100 -0.180 0.000 0.684 354 G HN 0.393 nan 8.290 nan 0.000 0.489 355 G N -0.212 108.273 108.800 -0.525 0.000 2.527 355 G HA2 0.578 4.531 3.960 -0.011 0.000 0.248 355 G HA3 0.578 4.531 3.960 -0.011 0.000 0.248 355 G C 0.983 175.666 174.900 -0.362 0.000 1.231 355 G CA 0.571 45.215 45.100 -0.759 0.000 0.838 355 G HN 1.382 nan 8.290 nan 0.000 0.570 356 V N -0.218 119.681 119.914 -0.025 0.000 3.070 356 V HA 0.488 4.601 4.120 -0.011 0.000 0.345 356 V C 1.054 177.314 176.094 0.278 0.000 1.403 356 V CA -0.009 62.348 62.300 0.095 0.000 1.155 356 V CB -0.148 31.725 31.823 0.083 0.000 1.140 356 V HN 0.853 nan 8.190 nan 0.000 0.505 357 G N 0.954 110.069 108.800 0.524 0.000 2.265 357 G HA2 0.148 4.102 3.960 -0.011 0.000 0.240 357 G HA3 0.148 4.102 3.960 -0.011 0.000 0.240 357 G C -0.015 175.142 174.900 0.428 0.000 1.270 357 G CA 0.175 45.496 45.100 0.368 0.000 0.901 357 G HN 0.675 nan 8.290 nan 0.000 0.507 358 Q N 1.036 120.997 119.800 0.268 0.000 2.300 358 Q HA 0.119 4.453 4.340 -0.011 0.000 0.280 358 Q C -1.024 175.098 176.000 0.203 0.000 1.033 358 Q CA -0.197 55.748 55.803 0.237 0.000 0.903 358 Q CB 0.298 29.123 28.738 0.145 0.000 1.195 358 Q HN 0.371 nan 8.270 nan 0.000 0.386 359 F N 4.967 124.858 119.950 -0.098 0.000 2.366 359 F HA 0.370 4.889 4.527 -0.013 0.000 0.366 359 F C -0.986 174.676 175.800 -0.229 0.000 1.096 359 F CA -1.385 56.343 58.000 -0.453 0.000 1.060 359 F CB 0.984 39.257 39.000 -1.211 0.000 1.282 359 F HN 0.605 nan 8.300 nan 0.000 0.450 360 E N 6.032 126.296 120.200 0.107 0.000 2.191 360 E HA 0.601 4.945 4.350 -0.011 0.000 0.278 360 E C -1.256 175.322 176.600 -0.038 0.000 0.972 360 E CA -0.592 55.816 56.400 0.013 0.000 0.804 360 E CB 1.382 31.209 29.700 0.212 0.000 1.110 360 E HN 0.662 nan 8.360 nan 0.000 0.394 361 I N 5.684 126.194 120.570 -0.100 0.000 2.468 361 I HA 0.271 4.435 4.170 -0.011 0.000 0.285 361 I C -0.989 175.192 176.117 0.106 0.000 1.039 361 I CA -0.548 60.739 61.300 -0.021 0.000 1.074 361 I CB 1.242 39.120 38.000 -0.204 0.000 1.228 361 I HN 0.385 nan 8.210 nan 0.000 0.436 362 L N 7.298 128.644 121.223 0.204 0.000 2.341 362 L HA 0.586 4.919 4.340 -0.011 0.000 0.278 362 L C -0.933 176.067 176.870 0.217 0.000 1.005 362 L CA -0.826 54.109 54.840 0.159 0.000 0.818 362 L CB 1.532 43.678 42.059 0.144 0.000 1.259 362 L HN 0.511 nan 8.230 nan 0.000 0.418 363 Y N 1.843 122.172 120.300 0.047 0.000 2.609 363 Y HA 0.973 5.515 4.550 -0.012 0.000 0.342 363 Y C -0.739 175.237 175.900 0.128 0.000 1.058 363 Y CA -1.101 57.041 58.100 0.069 0.000 1.055 363 Y CB 1.915 40.395 38.460 0.033 0.000 1.292 363 Y HN 0.631 nan 8.280 nan 0.000 0.476 364 A N 1.263 124.248 122.820 0.274 0.000 2.586 364 A HA 0.455 4.769 4.320 -0.011 0.000 0.291 364 A C -1.581 176.070 177.584 0.111 0.000 1.062 364 A CA -1.046 51.089 52.037 0.163 0.000 0.666 364 A CB 1.604 20.623 19.000 0.032 0.000 1.281 364 A HN 0.896 nan 8.150 nan 0.000 0.421 365 Q N 0.000 119.704 119.800 -0.161 0.000 2.315 365 Q HA 0.000 4.333 4.340 -0.011 0.000 0.214 365 Q CA 0.000 55.566 55.803 -0.395 0.000 1.022 365 Q CB 0.000 28.408 28.738 -0.549 0.000 1.108 365 Q HN 0.000 nan 8.270 nan 0.000 0.481