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 1w1o_1_A DATA FIRST_RESID 40 DATA SEQUENCE ALALDGKLRT DSNATAAAST DFGNITSALP AAVLYPSSTG DLVALLSAAN DATA SEQUENCE STPGWPYTIA FRGRGHSLMG QAFAPGGVVV NMASLGDAAA PPRINVSADG DATA SEQUENCE RYVDAGGEQV WIDVLRASLA RGVAPRSWTD YLYLTVGGTL SNAGISGQAF DATA SEQUENCE RHGPQISNVL EMDVITGHGE MVTCSKQLNA DLFDAVLGGL GQFGVITRAR DATA SEQUENCE IAVEPAPARA RWVRFVYTDF AAFSADQERL TAPRXXXXXX SFGPMSYVEG DATA SEQUENCE SVFVNQSLAT DLANTGFFTD ADVARIVALA GERNATTVYS IEATLNYXXX DATA SEQUENCE XXXXAAVDQE LASVLGTLSY VEGFAFQRDV AYAAFLDRVH GEEVALNKLG DATA SEQUENCE LWRVPHPWLN MFVPRSRIAD FDRGVFKGIL QGTDIVGPLI VYPLNKSMWD DATA SEQUENCE DGMSAATPSE DVFYAVSLLF SSXXXNDLAR LQEQNRRILR FCDLAGIQYK DATA SEQUENCE TYLARHTDRS DWVRHFGAAK WNRFVEMKNK YDPKRLLSPG QDIFN 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 40 A HA 0.000 nan 4.320 nan 0.000 0.244 40 A C 0.000 177.614 177.584 0.050 0.000 1.274 40 A CA 0.000 52.067 52.037 0.050 0.000 0.836 40 A CB 0.000 19.032 19.000 0.053 0.000 0.831 41 L N 0.759 122.019 121.223 0.062 0.000 2.109 41 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 41 L C 2.922 179.826 176.870 0.057 0.000 1.086 41 L CA 1.399 56.278 54.840 0.063 0.000 0.760 41 L CB -0.253 41.854 42.059 0.079 0.000 0.910 41 L HN 0.551 nan 8.230 nan 0.000 0.437 42 A N -0.263 122.588 122.820 0.053 0.000 1.930 42 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 42 A C 2.238 179.840 177.584 0.030 0.000 1.175 42 A CA 1.256 53.318 52.037 0.041 0.000 0.627 42 A CB -0.605 18.416 19.000 0.035 0.000 0.815 42 A HN 0.345 nan 8.150 nan 0.000 0.443 43 L N -0.832 120.409 121.223 0.030 0.000 2.141 43 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 43 L C 1.371 178.253 176.870 0.021 0.000 1.094 43 L CA 1.343 56.197 54.840 0.023 0.000 0.763 43 L CB -0.261 41.813 42.059 0.024 0.000 0.908 43 L HN 0.280 nan 8.230 nan 0.000 0.437 44 D N -0.436 119.980 120.400 0.026 0.000 2.349 44 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 44 D C 1.369 177.683 176.300 0.022 0.000 1.029 44 D CA 0.844 54.859 54.000 0.025 0.000 0.879 44 D CB 0.255 41.073 40.800 0.031 0.000 0.906 44 D HN 0.317 nan 8.370 nan 0.000 0.528 45 G N 0.655 109.467 108.800 0.020 0.000 2.148 45 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.254 45 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.254 45 G C 1.238 176.153 174.900 0.024 0.000 0.981 45 G CA 0.634 45.738 45.100 0.007 0.000 0.670 45 G HN 0.363 nan 8.290 nan 0.000 0.528 46 K N -1.332 119.105 120.400 0.062 0.000 2.211 46 K HA 0.322 4.642 4.320 -0.000 0.000 0.201 46 K C 0.865 177.565 176.600 0.167 0.000 1.052 46 K CA 0.354 56.712 56.287 0.118 0.000 0.973 46 K CB 0.315 32.876 32.500 0.102 0.000 0.766 46 K HN 0.289 nan 8.250 nan 0.000 0.466 47 L N 2.132 123.423 121.223 0.112 0.000 2.264 47 L HA 0.230 4.570 4.340 -0.000 0.000 0.287 47 L C -0.932 175.989 176.870 0.085 0.000 1.039 47 L CA -0.128 54.773 54.840 0.102 0.000 0.829 47 L CB 0.670 42.767 42.059 0.063 0.000 1.211 47 L HN -0.087 nan 8.230 nan 0.000 0.427 48 R N 1.953 122.532 120.500 0.133 0.000 2.407 48 R HA 0.515 4.855 4.340 -0.000 0.000 0.303 48 R C 0.523 176.857 176.300 0.057 0.000 0.981 48 R CA 0.242 56.400 56.100 0.096 0.000 0.905 48 R CB 1.375 31.757 30.300 0.138 0.000 1.099 48 R HN 0.712 nan 8.270 nan 0.000 0.459 49 T N -3.148 111.418 114.554 0.021 0.000 3.043 49 T HA 0.018 4.368 4.350 -0.000 0.000 0.272 49 T C 0.336 175.037 174.700 0.002 0.000 0.990 49 T CA -0.600 61.499 62.100 -0.003 0.000 0.897 49 T CB -0.061 68.795 68.868 -0.020 0.000 1.111 49 T HN 0.629 nan 8.240 nan 0.000 0.529 50 D N 2.288 122.695 120.400 0.011 0.000 2.382 50 D HA 0.030 4.670 4.640 -0.000 0.000 0.240 50 D C 1.436 177.741 176.300 0.009 0.000 1.146 50 D CA 0.354 54.357 54.000 0.005 0.000 0.897 50 D CB 1.555 42.355 40.800 0.000 0.000 1.197 50 D HN 0.260 nan 8.370 nan 0.000 0.432 51 S N 2.401 118.103 115.700 0.002 0.000 2.370 51 S HA -0.291 4.179 4.470 -0.000 0.000 0.226 51 S C 1.365 175.969 174.600 0.007 0.000 1.033 51 S CA 1.278 59.478 58.200 -0.000 0.000 1.011 51 S CB -0.503 62.695 63.200 -0.004 0.000 0.852 51 S HN 0.524 nan 8.310 nan 0.000 0.457 52 N N 2.695 121.403 118.700 0.014 0.000 2.120 52 N HA 0.122 4.862 4.740 -0.000 0.000 0.188 52 N C 1.974 177.515 175.510 0.051 0.000 1.024 52 N CA 1.513 54.578 53.050 0.025 0.000 0.852 52 N CB -0.894 37.605 38.487 0.020 0.000 1.003 52 N HN 0.621 nan 8.380 nan 0.000 0.424 53 A N 0.212 123.073 122.820 0.069 0.000 1.858 53 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 53 A C 2.346 179.984 177.584 0.091 0.000 1.190 53 A CA 2.342 54.464 52.037 0.140 0.000 0.617 53 A CB -1.391 17.724 19.000 0.192 0.000 0.827 53 A HN 0.495 nan 8.150 nan 0.000 0.443 54 T N -1.879 112.699 114.554 0.040 0.000 2.821 54 T HA 0.065 4.415 4.350 -0.000 0.000 0.267 54 T C 1.957 176.642 174.700 -0.026 0.000 1.046 54 T CA 1.658 63.755 62.100 -0.004 0.000 1.139 54 T CB -0.632 68.222 68.868 -0.024 0.000 0.871 54 T HN 0.573 nan 8.240 nan 0.000 0.454 55 A N 2.097 124.908 122.820 -0.014 0.000 1.902 55 A HA 0.293 4.613 4.320 -0.000 0.000 0.217 55 A C 2.834 180.410 177.584 -0.013 0.000 1.181 55 A CA 1.939 53.960 52.037 -0.026 0.000 0.623 55 A CB -1.431 17.563 19.000 -0.011 0.000 0.818 55 A HN 0.766 nan 8.150 nan 0.000 0.443 56 A N -0.581 122.255 122.820 0.027 0.000 2.019 56 A HA 0.252 4.572 4.320 -0.000 0.000 0.219 56 A C 2.116 179.733 177.584 0.055 0.000 1.164 56 A CA 1.737 53.807 52.037 0.056 0.000 0.644 56 A CB -0.616 18.441 19.000 0.095 0.000 0.805 56 A HN 1.131 nan 8.150 nan 0.000 0.449 57 A N -0.183 122.653 122.820 0.026 0.000 2.379 57 A HA 0.345 4.665 4.320 -0.000 0.000 0.236 57 A C 1.764 179.322 177.584 -0.044 0.000 1.272 57 A CA 0.967 53.023 52.037 0.031 0.000 0.886 57 A CB -0.459 18.545 19.000 0.006 0.000 0.962 57 A HN 0.820 nan 8.150 nan 0.000 0.504 58 S N -0.933 114.672 115.700 -0.158 0.000 2.523 58 S HA 0.153 4.623 4.470 -0.000 0.000 0.217 58 S C 0.720 174.942 174.600 -0.630 0.000 0.996 58 S CA 0.590 58.496 58.200 -0.490 0.000 0.921 58 S CB -0.347 62.661 63.200 -0.320 0.000 0.829 58 S HN 0.601 nan 8.310 nan 0.000 0.495 59 T N 0.158 114.654 114.554 -0.097 0.000 2.916 59 T HA 0.736 5.086 4.350 -0.000 0.000 0.292 59 T C -1.450 173.491 174.700 0.403 0.000 1.064 59 T CA -0.540 61.662 62.100 0.170 0.000 1.011 59 T CB 2.080 70.987 68.868 0.064 0.000 1.152 59 T HN 0.314 nan 8.240 nan 0.000 0.510 60 D N -0.362 120.235 120.400 0.330 0.000 2.744 60 D HA 0.330 4.969 4.640 -0.000 0.000 0.304 60 D C 0.506 176.841 176.300 0.058 0.000 1.179 60 D CA -1.228 52.870 54.000 0.163 0.000 1.024 60 D CB 0.121 40.936 40.800 0.026 0.000 1.453 60 D HN 0.375 nan 8.370 nan 0.000 0.529 61 F N 0.770 120.621 119.950 -0.167 0.000 2.161 61 F HA 0.057 4.584 4.527 -0.000 0.000 0.300 61 F C 2.120 177.807 175.800 -0.188 0.000 1.089 61 F CA 2.430 60.266 58.000 -0.273 0.000 1.282 61 F CB -0.472 38.211 39.000 -0.530 0.000 1.010 61 F HN 0.465 nan 8.300 nan 0.000 0.485 62 G N -0.134 108.544 108.800 -0.203 0.000 2.469 62 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.220 62 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.220 62 G C 0.972 175.709 174.900 -0.273 0.000 1.136 62 G CA 1.000 45.940 45.100 -0.267 0.000 0.759 62 G HN 0.659 nan 8.290 nan 0.000 0.562 63 N N -1.231 117.365 118.700 -0.173 0.000 2.725 63 N HA -0.178 4.561 4.740 -0.000 0.000 0.249 63 N C 0.883 176.321 175.510 -0.120 0.000 1.103 63 N CA 0.699 53.659 53.050 -0.150 0.000 0.707 63 N CB -0.763 37.569 38.487 -0.258 0.000 1.043 63 N HN 0.471 nan 8.380 nan 0.000 0.553 64 I N -1.519 119.008 120.570 -0.071 0.000 3.812 64 I HA 0.058 4.228 4.170 -0.000 0.000 0.292 64 I C 1.062 177.182 176.117 0.006 0.000 1.206 64 I CA 0.474 61.744 61.300 -0.050 0.000 1.370 64 I CB 0.887 38.849 38.000 -0.063 0.000 1.328 64 I HN 0.149 nan 8.210 nan 0.000 0.453 65 T N 0.566 115.160 114.554 0.066 0.000 2.918 65 T HA 0.606 4.956 4.350 -0.000 0.000 0.286 65 T C -0.612 174.246 174.700 0.264 0.000 1.026 65 T CA -0.436 61.749 62.100 0.142 0.000 1.031 65 T CB 1.167 70.129 68.868 0.156 0.000 1.046 65 T HN 0.240 nan 8.240 nan 0.000 0.479 66 S N 1.483 117.264 115.700 0.135 0.000 2.546 66 S HA 0.873 5.343 4.470 -0.000 0.000 0.274 66 S C -1.155 173.295 174.600 -0.251 0.000 1.121 66 S CA -0.820 57.305 58.200 -0.125 0.000 0.887 66 S CB 1.700 64.822 63.200 -0.131 0.000 1.094 66 S HN 1.224 nan 8.310 nan 0.000 0.474 67 A N 2.388 124.815 122.820 -0.654 0.000 2.466 67 A HA 0.611 4.931 4.320 -0.000 0.000 0.284 67 A C -1.033 176.309 177.584 -0.404 0.000 1.049 67 A CA -0.634 51.175 52.037 -0.380 0.000 0.760 67 A CB 0.772 19.685 19.000 -0.145 0.000 1.274 67 A HN 0.888 nan 8.150 nan 0.000 0.412 68 L N 4.669 125.761 121.223 -0.217 0.000 2.360 68 L HA 0.356 4.696 4.340 -0.000 0.000 0.276 68 L C -1.716 175.090 176.870 -0.107 0.000 1.121 68 L CA -1.440 53.304 54.840 -0.161 0.000 0.845 68 L CB 1.245 43.242 42.059 -0.103 0.000 1.143 68 L HN 0.519 nan 8.230 nan 0.000 0.452 69 P HA 0.143 nan 4.420 nan 0.000 0.278 69 P C -0.161 177.100 177.300 -0.065 0.000 1.258 69 P CA -0.505 62.557 63.100 -0.064 0.000 0.811 69 P CB 1.394 33.056 31.700 -0.064 0.000 1.063 70 A N 1.173 123.945 122.820 -0.079 0.000 1.970 70 A HA 0.375 4.695 4.320 -0.000 0.000 0.216 70 A C 1.075 178.569 177.584 -0.150 0.000 1.170 70 A CA 1.655 53.628 52.037 -0.105 0.000 0.645 70 A CB -0.720 18.208 19.000 -0.120 0.000 0.816 70 A HN 0.779 nan 8.150 nan 0.000 0.447 71 A N -2.036 120.674 122.820 -0.183 0.000 2.609 71 A HA 0.603 4.923 4.320 -0.000 0.000 0.291 71 A C -1.422 176.108 177.584 -0.090 0.000 1.096 71 A CA -0.347 51.607 52.037 -0.138 0.000 0.684 71 A CB 1.046 19.920 19.000 -0.210 0.000 1.282 71 A HN 0.523 nan 8.150 nan 0.000 0.412 72 V N 1.123 121.023 119.914 -0.023 0.000 2.531 72 V HA 0.496 4.616 4.120 -0.000 0.000 0.301 72 V C -0.741 175.343 176.094 -0.016 0.000 1.034 72 V CA -0.412 61.857 62.300 -0.052 0.000 0.865 72 V CB 1.354 33.147 31.823 -0.049 0.000 0.995 72 V HN 0.859 nan 8.190 nan 0.000 0.424 73 L N 5.312 126.486 121.223 -0.081 0.000 2.305 73 L HA 0.502 4.842 4.340 -0.000 0.000 0.281 73 L C -1.010 175.787 176.870 -0.121 0.000 1.085 73 L CA 0.277 55.117 54.840 -0.001 0.000 0.813 73 L CB 0.657 42.734 42.059 0.031 0.000 1.157 73 L HN 0.602 nan 8.230 nan 0.000 0.436 74 Y N 6.176 126.500 120.300 0.040 0.000 2.919 74 Y HA 0.376 4.926 4.550 -0.000 0.000 0.341 74 Y C -2.015 173.908 175.900 0.039 0.000 1.045 74 Y CA -2.259 55.865 58.100 0.041 0.000 1.218 74 Y CB 0.245 38.725 38.460 0.033 0.000 1.137 74 Y HN 0.524 nan 8.280 nan 0.000 0.577 75 P HA 0.050 nan 4.420 nan 0.000 0.276 75 P C 0.516 177.866 177.300 0.083 0.000 1.230 75 P CA 0.041 63.196 63.100 0.091 0.000 0.776 75 P CB 1.938 33.676 31.700 0.063 0.000 0.888 76 S N 1.368 117.109 115.700 0.069 0.000 2.486 76 S HA 0.101 4.570 4.470 -0.000 0.000 0.220 76 S C 0.789 175.410 174.600 0.035 0.000 1.011 76 S CA 0.329 58.561 58.200 0.053 0.000 0.921 76 S CB -0.391 62.836 63.200 0.046 0.000 0.785 76 S HN 0.682 nan 8.310 nan 0.000 0.517 77 S N 0.119 115.837 115.700 0.030 0.000 2.625 77 S HA 0.453 4.923 4.470 -0.000 0.000 0.271 77 S C 0.702 175.309 174.600 0.013 0.000 1.161 77 S CA -0.017 58.193 58.200 0.017 0.000 0.820 77 S CB 0.815 64.023 63.200 0.014 0.000 1.137 77 S HN 0.298 nan 8.310 nan 0.000 0.470 78 T N -1.465 113.088 114.554 -0.000 0.000 2.929 78 T HA 0.054 4.404 4.350 -0.000 0.000 0.271 78 T C 1.988 176.688 174.700 -0.001 0.000 1.085 78 T CA 1.538 63.633 62.100 -0.008 0.000 1.125 78 T CB -1.297 67.557 68.868 -0.023 0.000 0.874 78 T HN 1.088 nan 8.240 nan 0.000 0.494 79 G N 1.621 110.424 108.800 0.005 0.000 2.450 79 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 79 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 79 G C 1.323 176.234 174.900 0.018 0.000 1.130 79 G CA 0.910 46.015 45.100 0.009 0.000 0.760 79 G HN 0.484 nan 8.290 nan 0.000 0.557 80 D N 0.251 120.667 120.400 0.026 0.000 2.178 80 D HA -0.017 4.623 4.640 -0.000 0.000 0.202 80 D C 2.536 178.862 176.300 0.044 0.000 0.974 80 D CA 0.307 54.331 54.000 0.040 0.000 0.841 80 D CB -0.051 40.780 40.800 0.051 0.000 0.953 80 D HN 0.297 nan 8.370 nan 0.000 0.478 81 L N 0.360 121.605 121.223 0.037 0.000 2.109 81 L HA -0.103 4.236 4.340 -0.000 0.000 0.207 81 L C 2.466 179.354 176.870 0.029 0.000 1.086 81 L CA 0.412 55.279 54.840 0.046 0.000 0.760 81 L CB -0.031 42.043 42.059 0.026 0.000 0.910 81 L HN -0.097 nan 8.230 nan 0.000 0.437 82 V N 0.015 119.935 119.914 0.011 0.000 2.332 82 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 82 V C 2.727 178.819 176.094 -0.002 0.000 1.055 82 V CA 1.850 64.151 62.300 0.001 0.000 1.038 82 V CB -0.906 30.915 31.823 -0.002 0.000 0.651 82 V HN 0.507 nan 8.190 nan 0.000 0.450 83 A N -0.223 122.602 122.820 0.009 0.000 1.908 83 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 83 A C 2.179 179.761 177.584 -0.003 0.000 1.181 83 A CA 2.242 54.285 52.037 0.009 0.000 0.627 83 A CB -0.580 18.436 19.000 0.028 0.000 0.818 83 A HN 0.473 nan 8.150 nan 0.000 0.445 84 L N -0.449 120.783 121.223 0.015 0.000 2.027 84 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 84 L C 2.264 179.064 176.870 -0.116 0.000 1.074 84 L CA 1.750 56.595 54.840 0.008 0.000 0.745 84 L CB -0.413 41.694 42.059 0.081 0.000 0.898 84 L HN 0.377 nan 8.230 nan 0.000 0.433 85 L N -1.289 119.892 121.223 -0.070 0.000 2.156 85 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 85 L C 2.668 179.437 176.870 -0.168 0.000 1.095 85 L CA 1.204 55.975 54.840 -0.114 0.000 0.770 85 L CB -0.602 41.450 42.059 -0.013 0.000 0.914 85 L HN 0.341 nan 8.230 nan 0.000 0.439 86 S N -0.285 115.347 115.700 -0.114 0.000 2.383 86 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 86 S C 2.150 176.655 174.600 -0.158 0.000 1.026 86 S CA 1.157 59.298 58.200 -0.097 0.000 0.981 86 S CB -0.024 63.148 63.200 -0.046 0.000 0.818 86 S HN 0.431 nan 8.310 nan 0.000 0.472 87 A N 1.366 124.062 122.820 -0.207 0.000 1.902 87 A HA 0.193 4.513 4.320 -0.000 0.000 0.217 87 A C 2.445 179.680 177.584 -0.581 0.000 1.181 87 A CA 1.811 53.698 52.037 -0.250 0.000 0.623 87 A CB -1.363 17.555 19.000 -0.137 0.000 0.818 87 A HN 0.713 nan 8.150 nan 0.000 0.443 88 A N 0.387 122.563 122.820 -1.073 0.000 1.933 88 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 88 A C 1.946 179.131 177.584 -0.665 0.000 1.175 88 A CA 2.192 53.260 52.037 -1.615 0.000 0.628 88 A CB -0.805 17.334 19.000 -1.435 0.000 0.814 88 A HN 0.704 nan 8.150 nan 0.000 0.444 89 N N 0.205 118.678 118.700 -0.377 0.000 2.142 89 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 89 N C 1.694 177.154 175.510 -0.084 0.000 1.023 89 N CA 2.237 55.187 53.050 -0.167 0.000 0.852 89 N CB -0.201 38.246 38.487 -0.067 0.000 0.998 89 N HN 0.429 nan 8.380 nan 0.000 0.424 90 S N -2.303 113.345 115.700 -0.087 0.000 2.548 90 S HA 0.127 4.597 4.470 -0.000 0.000 0.215 90 S C 0.235 174.842 174.600 0.012 0.000 0.976 90 S CA -0.276 57.910 58.200 -0.024 0.000 0.908 90 S CB -0.248 62.941 63.200 -0.018 0.000 0.781 90 S HN 0.109 nan 8.310 nan 0.000 0.519 91 T N 5.108 119.679 114.554 0.028 0.000 2.733 91 T HA 0.471 4.821 4.350 -0.000 0.000 0.294 91 T C -2.855 171.933 174.700 0.145 0.000 0.956 91 T CA -1.322 60.856 62.100 0.130 0.000 0.987 91 T CB 1.216 70.261 68.868 0.295 0.000 0.920 91 T HN 0.161 nan 8.240 nan 0.000 0.470 92 P HA 0.289 nan 4.420 nan 0.000 0.271 92 P C 0.924 178.279 177.300 0.092 0.000 1.216 92 P CA 0.337 63.487 63.100 0.083 0.000 0.771 92 P CB 0.408 32.139 31.700 0.052 0.000 0.864 93 G N 2.059 110.906 108.800 0.079 0.000 2.221 93 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.265 93 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.265 93 G C -0.127 174.797 174.900 0.039 0.000 1.041 93 G CA -0.538 44.585 45.100 0.038 0.000 0.807 93 G HN 0.640 nan 8.290 nan 0.000 0.502 94 W N 0.881 122.143 121.300 -0.063 0.000 2.397 94 W HA 0.330 4.990 4.660 -0.000 0.000 0.327 94 W C -1.109 175.310 176.519 -0.166 0.000 1.421 94 W CA -0.977 56.317 57.345 -0.084 0.000 1.288 94 W CB 0.837 30.279 29.460 -0.030 0.000 1.312 94 W HN 0.202 nan 8.180 nan 0.000 0.559 95 P HA -0.016 nan 4.420 nan 0.000 0.226 95 P C -0.963 175.804 177.300 -0.889 0.000 1.161 95 P CA 1.179 63.676 63.100 -1.006 0.000 0.804 95 P CB 0.171 31.000 31.700 -1.452 0.000 0.829 96 Y N 0.350 120.235 120.300 -0.692 0.000 2.331 96 Y HA 0.358 4.908 4.550 -0.000 0.000 0.338 96 Y C 1.259 177.257 175.900 0.164 0.000 0.992 96 Y CA -1.349 56.626 58.100 -0.209 0.000 1.121 96 Y CB 0.225 38.553 38.460 -0.221 0.000 1.184 96 Y HN -0.235 nan 8.280 nan 0.000 0.469 97 T N 0.939 115.634 114.554 0.235 0.000 2.856 97 T HA 0.601 4.951 4.350 -0.000 0.000 0.306 97 T C -0.246 174.539 174.700 0.141 0.000 1.062 97 T CA -0.380 61.825 62.100 0.174 0.000 1.083 97 T CB 0.583 69.508 68.868 0.096 0.000 0.984 97 T HN 0.483 nan 8.240 nan 0.000 0.542 98 I N 1.066 121.645 120.570 0.015 0.000 2.499 98 I HA 0.601 4.771 4.170 -0.000 0.000 0.288 98 I C -0.001 175.854 176.117 -0.438 0.000 1.048 98 I CA -1.114 60.096 61.300 -0.150 0.000 1.062 98 I CB 1.831 39.760 38.000 -0.119 0.000 1.238 98 I HN 0.954 nan 8.210 nan 0.000 0.426 99 A N 5.612 128.167 122.820 -0.442 0.000 2.354 99 A HA 0.895 5.214 4.320 -0.000 0.000 0.321 99 A C -1.295 175.920 177.584 -0.615 0.000 1.125 99 A CA -0.375 51.358 52.037 -0.506 0.000 0.799 99 A CB 0.819 19.729 19.000 -0.151 0.000 1.293 99 A HN 0.499 nan 8.150 nan 0.000 0.452 100 F N 0.929 120.896 119.950 0.028 0.000 2.366 100 F HA 0.449 4.975 4.527 -0.000 0.000 0.366 100 F C 0.686 176.497 175.800 0.019 0.000 1.096 100 F CA -0.421 57.587 58.000 0.014 0.000 1.060 100 F CB 1.153 40.157 39.000 0.008 0.000 1.282 100 F HN 0.608 nan 8.300 nan 0.000 0.450 101 R N 1.633 122.215 120.500 0.138 0.000 2.296 101 R HA 0.357 4.697 4.340 -0.000 0.000 0.323 101 R C 1.044 177.405 176.300 0.103 0.000 1.067 101 R CA 0.174 56.337 56.100 0.106 0.000 0.946 101 R CB 0.649 30.995 30.300 0.077 0.000 0.991 101 R HN 0.885 nan 8.270 nan 0.000 0.448 102 G N 3.216 112.079 108.800 0.104 0.000 2.654 102 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.215 102 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.215 102 G C 0.717 175.659 174.900 0.071 0.000 1.310 102 G CA 0.137 45.281 45.100 0.075 0.000 0.866 102 G HN 0.483 nan 8.290 nan 0.000 0.558 103 R N -0.041 120.529 120.500 0.117 0.000 2.566 103 R HA 0.247 4.586 4.340 -0.000 0.000 0.388 103 R C 1.021 177.456 176.300 0.225 0.000 0.989 103 R CA 0.189 56.398 56.100 0.183 0.000 1.164 103 R CB 0.374 30.786 30.300 0.187 0.000 1.459 103 R HN 0.657 nan 8.270 nan 0.000 0.553 104 G N 1.466 110.366 108.800 0.167 0.000 2.273 104 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.280 104 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.280 104 G C 0.502 175.451 174.900 0.082 0.000 1.047 104 G CA 0.346 45.520 45.100 0.124 0.000 0.869 104 G HN 0.463 nan 8.290 nan 0.000 0.502 105 H N -0.071 119.044 119.070 0.074 0.000 2.547 105 H HA 0.167 4.723 4.556 -0.000 0.000 0.266 105 H C 1.574 176.881 175.328 -0.035 0.000 0.988 105 H CA 0.848 56.893 56.048 -0.004 0.000 1.147 105 H CB 0.365 30.084 29.762 -0.073 0.000 1.365 105 H HN 0.456 nan 8.280 nan 0.000 0.589 106 S N 0.419 116.142 115.700 0.039 0.000 2.559 106 S HA -0.026 4.444 4.470 -0.000 0.000 0.282 106 S C 1.675 176.242 174.600 -0.056 0.000 1.336 106 S CA -0.182 57.994 58.200 -0.040 0.000 1.037 106 S CB 0.806 63.928 63.200 -0.131 0.000 0.853 106 S HN 0.312 nan 8.310 nan 0.000 0.523 107 L N 1.340 122.519 121.223 -0.073 0.000 2.408 107 L HA 0.238 4.578 4.340 -0.000 0.000 0.215 107 L C 0.949 177.755 176.870 -0.108 0.000 1.081 107 L CA 0.693 55.483 54.840 -0.084 0.000 0.840 107 L CB 0.025 42.052 42.059 -0.053 0.000 1.002 107 L HN 0.505 nan 8.230 nan 0.000 0.468 108 M N -0.244 119.276 119.600 -0.133 0.000 3.637 108 M HA 0.328 4.808 4.480 -0.000 0.000 0.452 108 M C 0.637 176.822 176.300 -0.192 0.000 1.718 108 M CA 0.086 55.315 55.300 -0.118 0.000 0.690 108 M CB 0.535 33.091 32.600 -0.074 0.000 1.448 108 M HN 0.205 nan 8.290 nan 0.000 0.524 109 G N 0.845 109.368 108.800 -0.462 0.000 2.136 109 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.242 109 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.242 109 G C 0.673 175.189 174.900 -0.641 0.000 0.989 109 G CA 0.607 45.134 45.100 -0.954 0.000 0.682 109 G HN 0.468 nan 8.290 nan 0.000 0.522 110 Q N -0.250 119.324 119.800 -0.376 0.000 2.291 110 Q HA 0.353 4.692 4.340 -0.000 0.000 0.206 110 Q C 2.613 178.526 176.000 -0.146 0.000 0.976 110 Q CA 1.858 57.561 55.803 -0.167 0.000 0.875 110 Q CB -0.057 28.637 28.738 -0.074 0.000 0.927 110 Q HN 0.996 nan 8.270 nan 0.000 0.450 111 A N -0.732 121.933 122.820 -0.258 0.000 2.423 111 A HA 0.220 4.540 4.320 -0.000 0.000 0.246 111 A C -0.443 177.185 177.584 0.074 0.000 1.278 111 A CA -0.335 51.654 52.037 -0.081 0.000 0.903 111 A CB 0.206 19.192 19.000 -0.025 0.000 0.997 111 A HN 0.084 nan 8.150 nan 0.000 0.510 112 F N -0.239 119.711 119.950 0.001 0.000 2.371 112 F HA 0.607 5.134 4.527 -0.000 0.000 0.329 112 F C 0.711 176.497 175.800 -0.023 0.000 1.107 112 F CA -1.719 56.276 58.000 -0.009 0.000 1.137 112 F CB 1.307 40.309 39.000 0.002 0.000 1.214 112 F HN 0.067 nan 8.300 nan 0.000 0.536 113 A N 3.263 126.189 122.820 0.176 0.000 2.893 113 A HA 0.595 4.915 4.320 -0.000 0.000 0.333 113 A C -2.775 174.847 177.584 0.063 0.000 1.152 113 A CA -1.591 50.496 52.037 0.082 0.000 0.782 113 A CB -0.044 18.967 19.000 0.019 0.000 1.108 113 A HN 0.369 nan 8.150 nan 0.000 0.469 114 P HA 0.242 nan 4.420 nan 0.000 0.261 114 P C 1.158 178.484 177.300 0.043 0.000 1.203 114 P CA 1.826 64.950 63.100 0.041 0.000 0.767 114 P CB 0.683 32.419 31.700 0.060 0.000 0.785 115 G N 2.576 111.392 108.800 0.027 0.000 2.203 115 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.263 115 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.263 115 G C 0.555 175.536 174.900 0.135 0.000 1.012 115 G CA 0.111 45.246 45.100 0.058 0.000 0.749 115 G HN 0.843 nan 8.290 nan 0.000 0.512 116 G N -2.037 106.814 108.800 0.086 0.000 3.212 116 G HA2 0.720 4.679 3.960 -0.000 0.000 0.188 116 G HA3 0.720 4.679 3.960 -0.000 0.000 0.188 116 G C -0.760 174.097 174.900 -0.071 0.000 1.254 116 G CA 0.026 45.195 45.100 0.116 0.000 0.957 116 G HN 0.893 nan 8.290 nan 0.000 0.596 117 V N 0.589 120.474 119.914 -0.048 0.000 2.384 117 V HA 0.439 4.559 4.120 -0.000 0.000 0.287 117 V C -0.246 175.804 176.094 -0.073 0.000 1.020 117 V CA -0.604 61.638 62.300 -0.097 0.000 0.850 117 V CB 1.280 33.071 31.823 -0.055 0.000 0.987 117 V HN 0.411 nan 8.190 nan 0.000 0.436 118 V N 5.882 125.751 119.914 -0.076 0.000 2.432 118 V HA 0.307 4.427 4.120 -0.000 0.000 0.275 118 V C 0.147 176.189 176.094 -0.087 0.000 1.043 118 V CA -0.478 61.777 62.300 -0.074 0.000 0.925 118 V CB 1.795 33.598 31.823 -0.034 0.000 0.985 118 V HN 0.622 nan 8.190 nan 0.000 0.466 119 V N 5.218 125.097 119.914 -0.059 0.000 2.408 119 V HA 0.183 4.303 4.120 -0.000 0.000 0.267 119 V C 0.836 176.904 176.094 -0.044 0.000 1.047 119 V CA -0.459 61.837 62.300 -0.006 0.000 0.937 119 V CB 1.066 32.999 31.823 0.184 0.000 0.999 119 V HN 0.902 nan 8.190 nan 0.000 0.472 120 N N 5.862 124.443 118.700 -0.198 0.000 2.549 120 N HA 0.048 4.788 4.740 -0.000 0.000 0.267 120 N C 1.168 176.632 175.510 -0.077 0.000 1.182 120 N CA -0.461 52.456 53.050 -0.223 0.000 1.019 120 N CB 0.581 38.696 38.487 -0.619 0.000 1.380 120 N HN 0.578 nan 8.380 nan 0.000 0.505 121 M N 1.687 121.290 119.600 0.005 0.000 2.202 121 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 121 M C 2.132 178.441 176.300 0.016 0.000 1.063 121 M CA 0.912 56.226 55.300 0.025 0.000 1.097 121 M CB -1.330 31.292 32.600 0.038 0.000 1.382 121 M HN 0.557 nan 8.290 nan 0.000 0.413 122 A N -0.213 122.621 122.820 0.025 0.000 2.032 122 A HA -0.148 4.172 4.320 -0.000 0.000 0.221 122 A C 2.420 180.041 177.584 0.060 0.000 1.165 122 A CA 2.037 54.098 52.037 0.041 0.000 0.645 122 A CB -0.804 18.239 19.000 0.071 0.000 0.807 122 A HN 0.513 nan 8.150 nan 0.000 0.453 123 S N -0.216 115.532 115.700 0.079 0.000 2.419 123 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 123 S C 1.600 176.242 174.600 0.071 0.000 1.019 123 S CA 1.249 59.517 58.200 0.112 0.000 0.982 123 S CB -0.426 62.878 63.200 0.173 0.000 0.789 123 S HN 0.582 nan 8.310 nan 0.000 0.490 124 L N 0.529 121.777 121.223 0.042 0.000 2.265 124 L HA -0.033 4.307 4.340 -0.000 0.000 0.215 124 L C 2.177 179.055 176.870 0.013 0.000 1.117 124 L CA 0.951 55.803 54.840 0.021 0.000 0.782 124 L CB -0.488 41.571 42.059 0.000 0.000 0.914 124 L HN 0.388 nan 8.230 nan 0.000 0.441 125 G N -1.922 106.889 108.800 0.017 0.000 3.337 125 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.246 125 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.246 125 G C 0.651 175.566 174.900 0.024 0.000 1.131 125 G CA -0.212 44.894 45.100 0.011 0.000 0.773 125 G HN 0.131 nan 8.290 nan 0.000 0.544 126 D N 1.503 121.925 120.400 0.037 0.000 2.123 126 D HA 0.079 4.719 4.640 -0.000 0.000 0.200 126 D C 1.977 178.294 176.300 0.029 0.000 0.976 126 D CA 0.744 54.769 54.000 0.041 0.000 0.831 126 D CB -0.005 40.828 40.800 0.054 0.000 0.974 126 D HN 0.308 nan 8.370 nan 0.000 0.469 127 A N 0.157 122.991 122.820 0.024 0.000 2.445 127 A HA 0.447 4.766 4.320 -0.000 0.000 0.242 127 A C 1.359 178.951 177.584 0.012 0.000 1.075 127 A CA 0.487 52.534 52.037 0.017 0.000 0.777 127 A CB 0.644 19.653 19.000 0.015 0.000 1.013 127 A HN 0.165 nan 8.150 nan 0.000 0.493 128 A N 1.742 124.568 122.820 0.010 0.000 1.929 128 A HA 0.434 4.754 4.320 -0.000 0.000 0.216 128 A C 1.239 178.825 177.584 0.004 0.000 1.176 128 A CA 1.672 53.713 52.037 0.007 0.000 0.628 128 A CB -0.326 18.677 19.000 0.006 0.000 0.816 128 A HN 2.076 nan 8.150 nan 0.000 0.444 129 A N 0.117 122.940 122.820 0.004 0.000 2.414 129 A HA 0.658 4.978 4.320 -0.000 0.000 0.306 129 A C -2.721 174.865 177.584 0.002 0.000 1.054 129 A CA -1.374 50.664 52.037 0.002 0.000 0.724 129 A CB 0.707 19.708 19.000 0.002 0.000 1.267 129 A HN 0.219 nan 8.150 nan 0.000 0.418 130 P HA 0.532 nan 4.420 nan 0.000 0.278 130 P C -2.749 174.549 177.300 -0.004 0.000 1.258 130 P CA -1.276 61.823 63.100 -0.002 0.000 0.811 130 P CB -0.166 31.533 31.700 -0.002 0.000 1.063 131 P HA 0.109 nan 4.420 nan 0.000 0.267 131 P C 0.393 177.685 177.300 -0.013 0.000 1.200 131 P CA -0.067 63.028 63.100 -0.008 0.000 0.772 131 P CB 0.747 32.442 31.700 -0.008 0.000 0.855 132 R N 1.321 121.809 120.500 -0.020 0.000 2.334 132 R HA 0.328 4.667 4.340 -0.000 0.000 0.216 132 R C 0.376 176.650 176.300 -0.043 0.000 0.905 132 R CA 0.038 56.119 56.100 -0.032 0.000 1.064 132 R CB -0.023 30.255 30.300 -0.037 0.000 1.046 132 R HN 0.527 nan 8.270 nan 0.000 0.508 133 I N 1.897 122.447 120.570 -0.033 0.000 2.468 133 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 133 I C -0.897 175.212 176.117 -0.015 0.000 1.039 133 I CA -0.655 60.625 61.300 -0.034 0.000 1.074 133 I CB 1.843 39.819 38.000 -0.041 0.000 1.228 133 I HN -0.216 nan 8.210 nan 0.000 0.436 134 N N 6.140 124.840 118.700 -0.001 0.000 2.483 134 N HA 0.323 5.063 4.740 -0.000 0.000 0.267 134 N C -0.578 174.934 175.510 0.004 0.000 0.998 134 N CA -0.438 52.614 53.050 0.005 0.000 0.918 134 N CB 2.668 41.166 38.487 0.019 0.000 1.215 134 N HN 0.167 nan 8.380 nan 0.000 0.500 135 V N 1.711 121.608 119.914 -0.029 0.000 2.572 135 V HA 0.059 4.179 4.120 -0.000 0.000 0.291 135 V C 1.219 177.214 176.094 -0.166 0.000 1.039 135 V CA -0.493 61.760 62.300 -0.078 0.000 1.055 135 V CB 0.641 32.428 31.823 -0.061 0.000 0.969 135 V HN 0.769 nan 8.190 nan 0.000 0.482 136 S N 4.531 119.998 115.700 -0.388 0.000 2.569 136 S HA 0.242 4.711 4.470 -0.000 0.000 0.274 136 S C 1.448 175.864 174.600 -0.306 0.000 1.353 136 S CA 0.045 57.902 58.200 -0.572 0.000 1.023 136 S CB 1.054 63.383 63.200 -1.452 0.000 0.876 136 S HN 1.138 nan 8.310 nan 0.000 0.540 137 A N 1.685 124.377 122.820 -0.214 0.000 1.940 137 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 137 A C 1.785 179.297 177.584 -0.120 0.000 1.176 137 A CA 1.793 53.756 52.037 -0.123 0.000 0.631 137 A CB -1.005 17.950 19.000 -0.076 0.000 0.814 137 A HN 1.010 nan 8.150 nan 0.000 0.446 138 D N -2.292 118.017 120.400 -0.152 0.000 2.339 138 D HA 0.247 4.887 4.640 -0.000 0.000 0.217 138 D C 1.145 177.373 176.300 -0.121 0.000 1.050 138 D CA 0.890 54.824 54.000 -0.110 0.000 0.856 138 D CB -0.701 40.052 40.800 -0.079 0.000 0.922 138 D HN 0.866 nan 8.370 nan 0.000 0.518 139 G N 1.068 109.759 108.800 -0.180 0.000 2.160 139 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.251 139 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.251 139 G C 1.023 175.849 174.900 -0.122 0.000 1.008 139 G CA 0.311 45.324 45.100 -0.145 0.000 0.724 139 G HN 0.442 nan 8.290 nan 0.000 0.514 140 R N -1.196 119.207 120.500 -0.162 0.000 2.290 140 R HA 0.326 4.666 4.340 -0.000 0.000 0.197 140 R C 0.752 177.080 176.300 0.048 0.000 0.913 140 R CA 1.183 57.256 56.100 -0.044 0.000 1.040 140 R CB 0.285 30.591 30.300 0.011 0.000 0.992 140 R HN 0.797 nan 8.270 nan 0.000 0.500 141 Y N -4.343 115.949 120.300 -0.014 0.000 2.670 141 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 141 Y C -1.412 174.478 175.900 -0.016 0.000 1.185 141 Y CA -1.692 56.398 58.100 -0.017 0.000 1.053 141 Y CB 1.138 39.587 38.460 -0.019 0.000 1.298 141 Y HN -0.320 nan 8.280 nan 0.000 0.459 142 V N 2.123 122.203 119.914 0.277 0.000 2.577 142 V HA 0.469 4.589 4.120 -0.000 0.000 0.303 142 V C -1.508 174.698 176.094 0.185 0.000 1.042 142 V CA -0.514 61.887 62.300 0.169 0.000 0.872 142 V CB 1.581 33.440 31.823 0.060 0.000 0.998 142 V HN 0.864 nan 8.190 nan 0.000 0.423 143 D N 5.533 126.037 120.400 0.172 0.000 2.295 143 D HA 0.678 5.318 4.640 -0.000 0.000 0.248 143 D C -0.054 176.237 176.300 -0.014 0.000 1.154 143 D CA 0.413 54.454 54.000 0.069 0.000 0.857 143 D CB 1.812 42.664 40.800 0.088 0.000 1.117 143 D HN 0.866 nan 8.370 nan 0.000 0.468 144 A N 1.854 124.628 122.820 -0.077 0.000 2.371 144 A HA 0.694 5.014 4.320 -0.000 0.000 0.311 144 A C 0.484 177.985 177.584 -0.140 0.000 1.068 144 A CA -0.746 51.210 52.037 -0.135 0.000 0.744 144 A CB 1.426 20.278 19.000 -0.247 0.000 1.239 144 A HN 0.464 nan 8.150 nan 0.000 0.435 145 G N 0.515 109.242 108.800 -0.123 0.000 2.414 145 G HA2 0.386 4.346 3.960 -0.000 0.000 0.236 145 G HA3 0.386 4.346 3.960 -0.000 0.000 0.236 145 G C 1.106 175.917 174.900 -0.148 0.000 1.293 145 G CA 0.236 45.269 45.100 -0.112 0.000 0.869 145 G HN 1.424 nan 8.290 nan 0.000 0.556 146 G N 0.953 109.676 108.800 -0.128 0.000 2.462 146 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 146 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 146 G C 1.434 176.259 174.900 -0.125 0.000 1.121 146 G CA 1.195 46.215 45.100 -0.133 0.000 0.758 146 G HN 0.721 nan 8.290 nan 0.000 0.559 147 E N 0.406 120.543 120.200 -0.105 0.000 2.435 147 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 147 E C 0.532 177.060 176.600 -0.119 0.000 1.029 147 E CA 0.071 56.420 56.400 -0.084 0.000 0.865 147 E CB -0.222 29.449 29.700 -0.047 0.000 0.833 147 E HN 0.257 nan 8.360 nan 0.000 0.510 148 Q N 1.617 121.319 119.800 -0.163 0.000 2.364 148 Q HA 0.178 4.518 4.340 -0.000 0.000 0.267 148 Q C 0.340 176.180 176.000 -0.265 0.000 0.999 148 Q CA -0.122 55.567 55.803 -0.190 0.000 0.886 148 Q CB 1.706 30.322 28.738 -0.203 0.000 1.243 148 Q HN 0.180 nan 8.270 nan 0.000 0.415 149 V N -0.808 118.974 119.914 -0.220 0.000 2.686 149 V HA 0.202 4.322 4.120 -0.000 0.000 0.295 149 V C 0.700 176.718 176.094 -0.127 0.000 1.057 149 V CA -0.703 61.468 62.300 -0.216 0.000 1.012 149 V CB 0.677 32.319 31.823 -0.302 0.000 1.006 149 V HN 0.873 nan 8.190 nan 0.000 0.477 150 W N 1.758 123.049 121.300 -0.014 0.000 2.392 150 W HA -0.064 4.596 4.660 -0.000 0.000 0.279 150 W C 2.043 178.629 176.519 0.112 0.000 1.225 150 W CA 1.284 58.687 57.345 0.097 0.000 1.233 150 W CB -0.220 29.349 29.460 0.181 0.000 1.122 150 W HN 0.667 nan 8.180 nan 0.000 0.561 151 I N 0.670 121.362 120.570 0.202 0.000 2.286 151 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 151 I C 1.706 177.853 176.117 0.049 0.000 1.115 151 I CA 1.946 63.283 61.300 0.062 0.000 1.392 151 I CB -0.521 37.464 38.000 -0.025 0.000 1.065 151 I HN -0.155 nan 8.210 nan 0.000 0.418 152 D N -0.301 120.123 120.400 0.040 0.000 2.183 152 D HA -0.070 4.570 4.640 -0.000 0.000 0.203 152 D C 2.419 178.734 176.300 0.025 0.000 0.969 152 D CA 1.172 55.180 54.000 0.013 0.000 0.842 152 D CB -0.151 40.643 40.800 -0.010 0.000 0.957 152 D HN 0.279 nan 8.370 nan 0.000 0.484 153 V N 1.310 121.247 119.914 0.038 0.000 2.343 153 V HA -0.214 3.905 4.120 -0.000 0.000 0.247 153 V C 2.475 178.677 176.094 0.180 0.000 1.051 153 V CA 1.013 63.348 62.300 0.058 0.000 1.036 153 V CB -0.441 31.372 31.823 -0.017 0.000 0.654 153 V HN 0.143 nan 8.190 nan 0.000 0.451 154 L N 0.354 121.746 121.223 0.282 0.000 2.012 154 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 154 L C 2.586 179.525 176.870 0.116 0.000 1.073 154 L CA 1.984 56.985 54.840 0.268 0.000 0.748 154 L CB -0.691 41.429 42.059 0.101 0.000 0.891 154 L HN 0.168 nan 8.230 nan 0.000 0.431 155 R N -0.666 119.866 120.500 0.053 0.000 2.081 155 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 155 R C 2.243 178.560 176.300 0.028 0.000 1.131 155 R CA 1.360 57.471 56.100 0.019 0.000 0.960 155 R CB -0.657 29.640 30.300 -0.005 0.000 0.856 155 R HN 0.552 nan 8.270 nan 0.000 0.436 156 A N 0.287 123.126 122.820 0.033 0.000 1.930 156 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 156 A C 2.178 179.782 177.584 0.034 0.000 1.175 156 A CA 1.564 53.615 52.037 0.023 0.000 0.627 156 A CB -0.308 18.698 19.000 0.011 0.000 0.815 156 A HN 0.215 nan 8.150 nan 0.000 0.443 157 S N -0.045 115.695 115.700 0.065 0.000 2.355 157 S HA -0.053 4.417 4.470 -0.000 0.000 0.222 157 S C 1.798 176.440 174.600 0.071 0.000 1.031 157 S CA 1.333 59.579 58.200 0.077 0.000 0.993 157 S CB -0.434 62.849 63.200 0.138 0.000 0.859 157 S HN 0.516 nan 8.310 nan 0.000 0.453 158 L N 1.241 122.513 121.223 0.081 0.000 2.131 158 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 158 L C 2.656 179.548 176.870 0.036 0.000 1.092 158 L CA 0.975 55.855 54.840 0.067 0.000 0.759 158 L CB -0.673 41.423 42.059 0.060 0.000 0.903 158 L HN 0.318 nan 8.230 nan 0.000 0.435 159 A N -0.494 122.341 122.820 0.025 0.000 2.070 159 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 159 A C 2.088 179.675 177.584 0.006 0.000 1.159 159 A CA 1.221 53.265 52.037 0.011 0.000 0.656 159 A CB -0.238 18.765 19.000 0.006 0.000 0.800 159 A HN 0.272 nan 8.150 nan 0.000 0.453 160 R N -1.618 118.887 120.500 0.008 0.000 2.509 160 R HA 0.213 4.553 4.340 -0.000 0.000 0.300 160 R C 1.040 177.341 176.300 0.001 0.000 0.985 160 R CA 0.621 56.719 56.100 -0.003 0.000 1.092 160 R CB -0.123 30.167 30.300 -0.015 0.000 1.237 160 R HN 0.732 nan 8.270 nan 0.000 0.546 161 G N 1.244 110.053 108.800 0.015 0.000 2.143 161 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 161 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 161 G C 0.236 175.151 174.900 0.025 0.000 0.991 161 G CA 0.595 45.705 45.100 0.016 0.000 0.689 161 G HN 0.292 nan 8.290 nan 0.000 0.522 162 V N -3.887 116.052 119.914 0.042 0.000 3.155 162 V HA 1.071 5.191 4.120 -0.000 0.000 0.313 162 V C 0.026 176.194 176.094 0.122 0.000 1.162 162 V CA -0.509 61.824 62.300 0.056 0.000 1.048 162 V CB 1.951 33.789 31.823 0.024 0.000 1.092 162 V HN 2.087 nan 8.190 nan 0.000 0.447 163 A N 1.192 124.102 122.820 0.151 0.000 2.577 163 A HA 0.888 5.208 4.320 -0.000 0.000 0.297 163 A C -3.313 174.382 177.584 0.185 0.000 1.060 163 A CA -1.411 50.794 52.037 0.280 0.000 0.697 163 A CB 1.420 20.717 19.000 0.495 0.000 1.281 163 A HN 0.719 nan 8.150 nan 0.000 0.402 164 P HA 0.110 nan 4.420 nan 0.000 0.267 164 P C 0.377 177.494 177.300 -0.304 0.000 1.195 164 P CA 0.200 63.148 63.100 -0.254 0.000 0.773 164 P CB 0.431 31.717 31.700 -0.691 0.000 0.837 165 R N -0.059 120.189 120.500 -0.419 0.000 2.223 165 R HA 0.178 4.518 4.340 -0.000 0.000 0.198 165 R C 0.636 176.663 176.300 -0.455 0.000 0.984 165 R CA 0.475 56.300 56.100 -0.458 0.000 1.018 165 R CB 0.187 30.010 30.300 -0.794 0.000 0.945 165 R HN 0.333 nan 8.270 nan 0.000 0.479 166 S N -0.002 115.313 115.700 -0.642 0.000 2.561 166 S HA 0.458 4.928 4.470 -0.000 0.000 0.303 166 S C -1.648 172.490 174.600 -0.770 0.000 1.110 166 S CA -0.829 57.083 58.200 -0.479 0.000 1.034 166 S CB 0.677 63.669 63.200 -0.347 0.000 1.010 166 S HN 0.215 nan 8.310 nan 0.000 0.482 167 W N 1.356 122.530 121.300 -0.209 0.000 2.958 167 W HA 0.600 5.260 4.660 -0.000 0.000 0.339 167 W C 0.279 176.642 176.519 -0.260 0.000 1.174 167 W CA -0.725 56.436 57.345 -0.306 0.000 1.064 167 W CB 0.935 30.291 29.460 -0.174 0.000 1.471 167 W HN 0.642 nan 8.180 nan 0.000 0.599 168 T N -2.422 112.158 114.554 0.044 0.000 2.952 168 T HA 0.245 4.594 4.350 -0.000 0.000 0.286 168 T C 0.239 175.004 174.700 0.108 0.000 1.024 168 T CA -0.626 61.518 62.100 0.073 0.000 1.029 168 T CB 1.529 70.417 68.868 0.032 0.000 1.094 168 T HN 0.301 nan 8.240 nan 0.000 0.515 169 D N -0.615 119.869 120.400 0.140 0.000 2.218 169 D HA -0.010 4.630 4.640 -0.000 0.000 0.204 169 D C -0.113 176.245 176.300 0.096 0.000 0.976 169 D CA 1.492 55.552 54.000 0.101 0.000 0.853 169 D CB -0.080 40.810 40.800 0.150 0.000 0.939 169 D HN 0.623 nan 8.370 nan 0.000 0.481 170 Y N 0.228 120.533 120.300 0.010 0.000 2.376 170 Y HA 0.301 4.851 4.550 -0.000 0.000 0.340 170 Y C 0.346 176.261 175.900 0.026 0.000 0.965 170 Y CA -0.686 57.427 58.100 0.022 0.000 1.078 170 Y CB 1.150 39.651 38.460 0.068 0.000 1.193 170 Y HN -0.297 nan 8.280 nan 0.000 0.452 171 L N 5.523 126.517 121.223 -0.382 0.000 2.554 171 L HA 0.080 4.420 4.340 -0.000 0.000 0.225 171 L C 0.059 176.878 176.870 -0.085 0.000 1.104 171 L CA 0.158 54.913 54.840 -0.143 0.000 0.866 171 L CB 0.139 42.111 42.059 -0.145 0.000 1.047 171 L HN 0.630 nan 8.230 nan 0.000 0.468 172 Y N 2.355 122.333 120.300 -0.536 0.000 2.830 172 Y HA 0.399 4.949 4.550 -0.000 0.000 0.371 172 Y C -0.314 175.618 175.900 0.053 0.000 1.246 172 Y CA -0.282 57.702 58.100 -0.194 0.000 1.890 172 Y CB -0.533 37.831 38.460 -0.160 0.000 1.995 172 Y HN -0.052 nan 8.280 nan 0.000 0.430 173 L N 1.145 122.372 121.223 0.006 0.000 2.371 173 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 173 L C 0.172 177.119 176.870 0.127 0.000 1.006 173 L CA -1.260 53.634 54.840 0.089 0.000 0.818 173 L CB 2.350 44.536 42.059 0.211 0.000 1.354 173 L HN 0.188 nan 8.230 nan 0.000 0.415 174 T N -1.954 112.638 114.554 0.064 0.000 2.904 174 T HA 0.292 4.642 4.350 -0.000 0.000 0.290 174 T C 1.176 175.876 174.700 -0.002 0.000 1.018 174 T CA -0.747 61.326 62.100 -0.046 0.000 1.075 174 T CB 1.662 70.498 68.868 -0.053 0.000 0.986 174 T HN 0.253 nan 8.240 nan 0.000 0.523 175 V N 2.837 122.551 119.914 -0.333 0.000 2.287 175 V HA -0.075 4.045 4.120 -0.000 0.000 0.248 175 V C 2.883 178.977 176.094 0.001 0.000 1.053 175 V CA 2.514 64.602 62.300 -0.352 0.000 1.027 175 V CB -1.497 29.976 31.823 -0.583 0.000 0.646 175 V HN 1.126 nan 8.190 nan 0.000 0.447 176 G N -0.457 108.319 108.800 -0.039 0.000 2.408 176 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 176 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 176 G C 1.589 176.536 174.900 0.078 0.000 1.150 176 G CA 0.901 46.002 45.100 0.002 0.000 0.776 176 G HN 0.596 nan 8.290 nan 0.000 0.542 177 G N 0.687 109.551 108.800 0.107 0.000 2.404 177 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.215 177 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.215 177 G C 2.029 177.044 174.900 0.191 0.000 1.174 177 G CA 2.238 47.425 45.100 0.144 0.000 0.780 177 G HN 0.559 nan 8.290 nan 0.000 0.537 178 T N -0.248 114.468 114.554 0.269 0.000 2.857 178 T HA 0.077 4.427 4.350 -0.000 0.000 0.266 178 T C 2.417 177.268 174.700 0.252 0.000 1.048 178 T CA 0.859 63.130 62.100 0.284 0.000 1.139 178 T CB -0.292 68.771 68.868 0.325 0.000 0.874 178 T HN 0.164 nan 8.240 nan 0.000 0.455 179 L N 1.102 122.467 121.223 0.237 0.000 2.275 179 L HA 0.047 4.387 4.340 -0.000 0.000 0.215 179 L C 2.719 179.679 176.870 0.150 0.000 1.119 179 L CA 0.774 55.712 54.840 0.164 0.000 0.790 179 L CB -0.492 41.637 42.059 0.116 0.000 0.919 179 L HN 0.303 nan 8.230 nan 0.000 0.443 180 S N -0.554 115.246 115.700 0.166 0.000 2.561 180 S HA 0.001 4.470 4.470 -0.000 0.000 0.225 180 S C 1.362 176.111 174.600 0.250 0.000 0.977 180 S CA 0.442 58.754 58.200 0.187 0.000 0.926 180 S CB -0.055 63.242 63.200 0.161 0.000 0.769 180 S HN 0.479 nan 8.310 nan 0.000 0.533 181 N N 0.165 119.032 118.700 0.277 0.000 2.804 181 N HA 0.369 5.109 4.740 -0.000 0.000 0.233 181 N C 1.124 176.954 175.510 0.534 0.000 1.020 181 N CA 0.987 54.266 53.050 0.381 0.000 1.164 181 N CB 0.372 39.026 38.487 0.277 0.000 1.571 181 N HN 0.327 nan 8.380 nan 0.000 0.551 182 A N -0.608 122.508 122.820 0.494 0.000 1.544 182 A HA 0.419 4.739 4.320 -0.000 0.000 0.206 182 A C 0.173 177.855 177.584 0.164 0.000 1.895 182 A CA 0.862 53.099 52.037 0.333 0.000 1.585 182 A CB -0.185 19.085 19.000 0.451 0.000 1.485 182 A HN 0.534 nan 8.150 nan 0.000 0.342 183 G N 0.667 109.635 108.800 0.281 0.000 2.929 183 G HA2 0.208 4.168 3.960 -0.000 0.000 0.335 183 G HA3 0.208 4.168 3.960 -0.000 0.000 0.335 183 G C -0.351 174.581 174.900 0.054 0.000 1.054 183 G CA 0.148 45.320 45.100 0.120 0.000 1.067 183 G HN 1.924 nan 8.290 nan 0.000 0.472 184 I N -1.148 119.530 120.570 0.180 0.000 2.646 184 I HA 0.982 5.152 4.170 -0.000 0.000 0.299 184 I C 0.012 176.268 176.117 0.232 0.000 1.036 184 I CA -0.876 60.541 61.300 0.195 0.000 1.074 184 I CB 2.420 40.604 38.000 0.306 0.000 1.258 184 I HN 0.568 nan 8.210 nan 0.000 0.430 185 S N 2.199 118.023 115.700 0.206 0.000 2.755 185 S HA 0.545 5.015 4.470 -0.000 0.000 0.286 185 S C 0.699 175.249 174.600 -0.082 0.000 1.207 185 S CA -0.027 58.256 58.200 0.139 0.000 0.892 185 S CB 0.783 64.100 63.200 0.194 0.000 1.240 185 S HN 1.037 nan 8.310 nan 0.000 0.525 186 G N 0.243 108.824 108.800 -0.366 0.000 2.625 186 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.214 186 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.214 186 G C 0.677 175.500 174.900 -0.129 0.000 1.132 186 G CA 0.704 45.334 45.100 -0.784 0.000 0.782 186 G HN 0.557 nan 8.290 nan 0.000 0.538 187 Q N 0.069 119.909 119.800 0.066 0.000 2.408 187 Q HA 0.415 4.755 4.340 -0.000 0.000 0.205 187 Q C 2.556 178.439 176.000 -0.196 0.000 0.919 187 Q CA 0.678 56.490 55.803 0.015 0.000 0.932 187 Q CB 0.064 28.912 28.738 0.184 0.000 1.058 187 Q HN 0.349 nan 8.270 nan 0.000 0.517 188 A N 0.754 123.531 122.820 -0.071 0.000 2.019 188 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 188 A C 1.794 179.273 177.584 -0.175 0.000 1.164 188 A CA 1.180 53.153 52.037 -0.107 0.000 0.644 188 A CB -0.932 18.085 19.000 0.028 0.000 0.805 188 A HN 0.590 nan 8.150 nan 0.000 0.449 189 F N 1.336 121.168 119.950 -0.197 0.000 2.202 189 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 189 F C 1.948 177.357 175.800 -0.651 0.000 1.082 189 F CA 1.503 59.318 58.000 -0.308 0.000 1.313 189 F CB -0.316 38.515 39.000 -0.282 0.000 1.024 189 F HN 0.325 nan 8.300 nan 0.000 0.495 190 R N -1.555 117.930 120.500 -1.691 0.000 2.344 190 R HA 0.186 4.526 4.340 -0.000 0.000 0.209 190 R C 1.002 176.618 176.300 -1.139 0.000 0.886 190 R CA 0.393 55.293 56.100 -2.000 0.000 1.040 190 R CB -0.576 28.373 30.300 -2.252 0.000 1.114 190 R HN 0.326 nan 8.270 nan 0.000 0.547 191 H N 0.462 119.188 119.070 -0.575 0.000 2.986 191 H HA 0.306 4.862 4.556 -0.000 0.000 0.267 191 H C 0.655 175.808 175.328 -0.291 0.000 1.072 191 H CA 0.693 56.542 56.048 -0.332 0.000 1.202 191 H CB 1.322 30.915 29.762 -0.282 0.000 1.535 191 H HN 0.441 nan 8.280 nan 0.000 0.522 192 G N 2.270 110.919 108.800 -0.252 0.000 2.829 192 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.628 192 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.628 192 G C -2.683 171.964 174.900 -0.421 0.000 1.412 192 G CA -0.598 44.279 45.100 -0.372 0.000 0.864 192 G HN 0.069 nan 8.290 nan 0.000 0.544 193 P HA 0.153 nan 4.420 nan 0.000 0.274 193 P C 0.770 177.843 177.300 -0.380 0.000 1.260 193 P CA 0.007 62.771 63.100 -0.560 0.000 0.793 193 P CB 0.429 31.547 31.700 -0.971 0.000 1.048 194 Q N -0.114 119.517 119.800 -0.282 0.000 2.181 194 Q HA -0.131 4.209 4.340 -0.000 0.000 0.205 194 Q C 1.922 177.841 176.000 -0.136 0.000 0.980 194 Q CA 1.492 57.159 55.803 -0.227 0.000 0.862 194 Q CB -0.691 27.902 28.738 -0.242 0.000 0.905 194 Q HN 0.539 nan 8.270 nan 0.000 0.429 195 I N -2.664 117.817 120.570 -0.148 0.000 2.756 195 I HA -0.090 4.080 4.170 -0.000 0.000 0.262 195 I C 1.474 177.509 176.117 -0.136 0.000 1.225 195 I CA 0.910 62.139 61.300 -0.118 0.000 1.472 195 I CB -0.027 37.925 38.000 -0.078 0.000 1.094 195 I HN -0.140 nan 8.210 nan 0.000 0.454 196 S N 1.029 116.614 115.700 -0.191 0.000 2.575 196 S HA 0.171 4.641 4.470 -0.000 0.000 0.215 196 S C 0.849 175.403 174.600 -0.076 0.000 0.966 196 S CA -0.015 58.104 58.200 -0.136 0.000 0.911 196 S CB -0.349 62.720 63.200 -0.219 0.000 0.780 196 S HN 0.545 nan 8.310 nan 0.000 0.514 197 N N 1.395 120.049 118.700 -0.076 0.000 2.433 197 N HA 0.204 4.944 4.740 -0.000 0.000 0.270 197 N C -1.125 174.388 175.510 0.004 0.000 1.354 197 N CA 0.144 53.162 53.050 -0.053 0.000 0.889 197 N CB 1.578 39.990 38.487 -0.125 0.000 1.285 197 N HN 0.069 nan 8.380 nan 0.000 0.503 198 V N 1.591 121.538 119.914 0.056 0.000 2.448 198 V HA 0.286 4.406 4.120 -0.000 0.000 0.295 198 V C 1.001 177.218 176.094 0.205 0.000 1.025 198 V CA -0.466 61.902 62.300 0.114 0.000 0.859 198 V CB 2.288 34.171 31.823 0.099 0.000 0.988 198 V HN 0.051 nan 8.190 nan 0.000 0.431 199 L N 3.130 124.404 121.223 0.086 0.000 2.202 199 L HA 0.288 4.628 4.340 -0.000 0.000 0.205 199 L C 0.918 177.727 176.870 -0.102 0.000 1.083 199 L CA 1.148 55.973 54.840 -0.025 0.000 0.790 199 L CB -0.056 41.922 42.059 -0.135 0.000 0.942 199 L HN 0.936 nan 8.230 nan 0.000 0.452 200 E N -2.043 118.157 120.200 -0.001 0.000 2.409 200 E HA 0.551 4.901 4.350 -0.000 0.000 0.280 200 E C -1.265 175.394 176.600 0.099 0.000 1.079 200 E CA -0.714 55.678 56.400 -0.013 0.000 0.840 200 E CB 1.356 30.955 29.700 -0.167 0.000 1.309 200 E HN -0.110 nan 8.360 nan 0.000 0.447 201 M N 0.979 120.646 119.600 0.112 0.000 2.531 201 M HA 0.390 4.870 4.480 -0.000 0.000 0.286 201 M C -1.774 174.526 176.300 -0.001 0.000 1.232 201 M CA -1.003 54.329 55.300 0.053 0.000 0.877 201 M CB 2.469 35.114 32.600 0.075 0.000 1.726 201 M HN 0.455 nan 8.290 nan 0.000 0.463 202 D N 1.806 122.186 120.400 -0.034 0.000 2.232 202 D HA 0.548 5.188 4.640 -0.000 0.000 0.242 202 D C -1.114 175.147 176.300 -0.066 0.000 1.093 202 D CA -0.041 53.930 54.000 -0.048 0.000 0.845 202 D CB 1.914 42.682 40.800 -0.053 0.000 1.124 202 D HN 0.157 nan 8.370 nan 0.000 0.467 203 V N 3.359 123.230 119.914 -0.071 0.000 2.638 203 V HA 0.392 4.512 4.120 -0.000 0.000 0.306 203 V C 0.055 176.096 176.094 -0.089 0.000 1.052 203 V CA -0.803 61.437 62.300 -0.100 0.000 0.885 203 V CB 2.000 33.755 31.823 -0.113 0.000 0.999 203 V HN 0.369 nan 8.190 nan 0.000 0.424 204 I N 4.406 124.913 120.570 -0.105 0.000 2.304 204 I HA 0.355 4.524 4.170 -0.000 0.000 0.291 204 I C 1.037 177.126 176.117 -0.046 0.000 1.018 204 I CA -0.137 61.124 61.300 -0.065 0.000 1.260 204 I CB 1.629 39.591 38.000 -0.063 0.000 1.390 204 I HN 0.790 nan 8.210 nan 0.000 0.475 205 T N 1.745 116.305 114.554 0.010 0.000 2.732 205 T HA 0.192 4.542 4.350 -0.000 0.000 0.287 205 T C 1.435 176.174 174.700 0.065 0.000 0.993 205 T CA -0.161 61.977 62.100 0.064 0.000 0.966 205 T CB 1.223 70.211 68.868 0.200 0.000 1.047 205 T HN 0.711 nan 8.240 nan 0.000 0.527 206 G N -1.203 107.625 108.800 0.047 0.000 2.559 206 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 206 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 206 G C 1.259 176.062 174.900 -0.162 0.000 1.126 206 G CA 0.145 45.209 45.100 -0.060 0.000 0.778 206 G HN 0.891 nan 8.290 nan 0.000 0.543 207 H N 0.033 119.115 119.070 0.020 0.000 2.548 207 H HA 0.137 4.692 4.556 -0.000 0.000 0.265 207 H C 2.188 177.497 175.328 -0.031 0.000 0.969 207 H CA 0.583 56.622 56.048 -0.015 0.000 1.155 207 H CB 0.344 30.108 29.762 0.003 0.000 1.394 207 H HN 0.405 nan 8.280 nan 0.000 0.570 208 G N 1.569 110.408 108.800 0.065 0.000 2.147 208 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 208 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 208 G C 0.118 175.037 174.900 0.032 0.000 1.005 208 G CA 0.426 45.539 45.100 0.021 0.000 0.713 208 G HN 0.504 nan 8.290 nan 0.000 0.515 209 E N -0.266 119.971 120.200 0.062 0.000 2.156 209 E HA 0.607 4.957 4.350 -0.000 0.000 0.279 209 E C 0.500 177.113 176.600 0.022 0.000 0.965 209 E CA -1.093 55.332 56.400 0.042 0.000 0.789 209 E CB 0.472 30.208 29.700 0.059 0.000 1.098 209 E HN 0.217 nan 8.360 nan 0.000 0.397 210 M N 5.197 124.798 119.600 0.001 0.000 2.184 210 M HA 0.213 4.693 4.480 -0.000 0.000 0.351 210 M C -1.821 174.471 176.300 -0.014 0.000 1.395 210 M CA -0.206 55.085 55.300 -0.015 0.000 1.117 210 M CB 0.793 33.382 32.600 -0.020 0.000 1.708 210 M HN 0.245 nan 8.290 nan 0.000 0.468 211 V N 4.663 124.562 119.914 -0.024 0.000 2.638 211 V HA 0.492 4.612 4.120 -0.000 0.000 0.306 211 V C -0.220 175.852 176.094 -0.037 0.000 1.052 211 V CA -0.803 61.482 62.300 -0.025 0.000 0.885 211 V CB 2.114 33.924 31.823 -0.022 0.000 0.999 211 V HN 0.841 nan 8.190 nan 0.000 0.424 212 T N 4.303 118.835 114.554 -0.036 0.000 2.771 212 T HA 0.501 4.851 4.350 -0.000 0.000 0.291 212 T C -0.134 174.538 174.700 -0.046 0.000 0.954 212 T CA -0.252 61.822 62.100 -0.043 0.000 1.045 212 T CB 0.436 69.273 68.868 -0.052 0.000 0.917 212 T HN 1.003 nan 8.240 nan 0.000 0.484 213 C N 2.021 121.303 119.300 -0.030 0.000 2.802 213 C HA 1.005 5.464 4.460 -0.000 0.000 0.307 213 C C 0.031 174.931 174.990 -0.151 0.000 1.222 213 C CA -0.928 58.072 59.018 -0.029 0.000 1.580 213 C CB 0.893 28.671 27.740 0.063 0.000 2.119 213 C HN 0.988 nan 8.230 nan 0.000 0.479 214 S N 0.706 116.143 115.700 -0.438 0.000 2.703 214 S HA 0.483 4.953 4.470 -0.000 0.000 0.273 214 S C 0.103 174.167 174.600 -0.894 0.000 1.178 214 S CA -0.653 56.897 58.200 -1.083 0.000 0.838 214 S CB 0.888 63.733 63.200 -0.592 0.000 1.178 214 S HN 0.725 nan 8.310 nan 0.000 0.494 215 K N 0.207 120.117 120.400 -0.818 0.000 2.283 215 K HA 0.041 4.361 4.320 -0.000 0.000 0.202 215 K C 1.373 177.853 176.600 -0.199 0.000 1.048 215 K CA 1.359 57.444 56.287 -0.336 0.000 0.948 215 K CB -0.416 31.965 32.500 -0.198 0.000 0.742 215 K HN 0.557 nan 8.250 nan 0.000 0.458 216 Q N -0.550 119.117 119.800 -0.221 0.000 2.396 216 Q HA 0.168 4.508 4.340 -0.000 0.000 0.209 216 Q C -0.243 175.687 176.000 -0.115 0.000 0.906 216 Q CA 0.123 55.843 55.803 -0.139 0.000 0.927 216 Q CB 0.594 29.255 28.738 -0.129 0.000 1.069 216 Q HN 0.047 nan 8.270 nan 0.000 0.523 217 L N -0.114 121.025 121.223 -0.140 0.000 2.505 217 L HA 0.357 4.697 4.340 -0.000 0.000 0.266 217 L C -1.311 175.510 176.870 -0.081 0.000 0.954 217 L CA -0.176 54.606 54.840 -0.096 0.000 0.852 217 L CB 1.419 43.421 42.059 -0.095 0.000 1.282 217 L HN 0.220 nan 8.230 nan 0.000 0.403 218 N N 2.943 121.622 118.700 -0.035 0.000 2.714 218 N HA -0.262 4.477 4.740 -0.000 0.000 0.252 218 N C 1.102 176.621 175.510 0.015 0.000 1.014 218 N CA 0.767 53.817 53.050 0.001 0.000 0.735 218 N CB -0.482 38.006 38.487 0.002 0.000 0.924 218 N HN 0.813 nan 8.380 nan 0.000 0.540 219 A N 0.528 123.352 122.820 0.007 0.000 2.019 219 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 219 A C 2.075 179.716 177.584 0.095 0.000 1.164 219 A CA 1.829 53.898 52.037 0.052 0.000 0.644 219 A CB -0.207 18.803 19.000 0.017 0.000 0.805 219 A HN 0.680 nan 8.150 nan 0.000 0.449 220 D N 0.199 120.631 120.400 0.053 0.000 2.117 220 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 220 D C 1.777 178.057 176.300 -0.033 0.000 0.987 220 D CA 1.482 55.501 54.000 0.031 0.000 0.829 220 D CB -0.768 40.066 40.800 0.056 0.000 0.961 220 D HN 0.350 nan 8.370 nan 0.000 0.460 221 L N -0.539 120.642 121.223 -0.070 0.000 2.056 221 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 221 L C 2.354 179.127 176.870 -0.161 0.000 1.078 221 L CA 1.128 55.770 54.840 -0.330 0.000 0.749 221 L CB -0.938 40.811 42.059 -0.516 0.000 0.901 221 L HN -0.035 nan 8.230 nan 0.000 0.433 222 F N 0.787 120.639 119.950 -0.163 0.000 2.065 222 F HA -0.298 4.229 4.527 -0.000 0.000 0.298 222 F C 2.215 177.974 175.800 -0.069 0.000 1.112 222 F CA 2.287 60.225 58.000 -0.102 0.000 1.212 222 F CB -0.508 38.448 39.000 -0.073 0.000 0.975 222 F HN 0.215 nan 8.300 nan 0.000 0.476 223 D N 0.233 120.639 120.400 0.010 0.000 2.117 223 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 223 D C 2.352 178.596 176.300 -0.095 0.000 0.987 223 D CA 1.468 55.437 54.000 -0.052 0.000 0.829 223 D CB -0.718 40.109 40.800 0.045 0.000 0.961 223 D HN 0.394 nan 8.370 nan 0.000 0.460 224 A N 0.491 123.196 122.820 -0.191 0.000 1.873 224 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 224 A C 2.513 180.051 177.584 -0.078 0.000 1.186 224 A CA 1.146 52.970 52.037 -0.355 0.000 0.616 224 A CB -0.705 17.735 19.000 -0.933 0.000 0.823 224 A HN 0.148 nan 8.150 nan 0.000 0.442 225 V N 0.233 120.102 119.914 -0.076 0.000 2.427 225 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 225 V C 1.140 177.273 176.094 0.065 0.000 1.051 225 V CA 0.779 63.121 62.300 0.071 0.000 1.048 225 V CB -0.753 31.042 31.823 -0.048 0.000 0.666 225 V HN 0.454 nan 8.190 nan 0.000 0.456 226 L N 1.291 122.478 121.223 -0.060 0.000 2.456 226 L HA 0.401 4.740 4.340 -0.000 0.000 0.277 226 L C 1.349 178.303 176.870 0.140 0.000 1.124 226 L CA 0.752 55.568 54.840 -0.042 0.000 0.880 226 L CB -0.146 41.772 42.059 -0.235 0.000 1.192 226 L HN 0.434 nan 8.230 nan 0.000 0.463 227 G N 2.627 111.560 108.800 0.221 0.000 2.148 227 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 227 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 227 G C 0.813 175.991 174.900 0.463 0.000 0.981 227 G CA 0.179 45.494 45.100 0.358 0.000 0.670 227 G HN 0.879 nan 8.290 nan 0.000 0.528 228 G N -0.221 108.834 108.800 0.425 0.000 3.088 228 G HA2 0.433 4.393 3.960 -0.000 0.000 0.212 228 G HA3 0.433 4.393 3.960 -0.000 0.000 0.212 228 G C 1.111 176.251 174.900 0.400 0.000 1.173 228 G CA 0.460 45.908 45.100 0.581 0.000 0.779 228 G HN 1.414 nan 8.290 nan 0.000 0.540 229 L N -1.119 120.295 121.223 0.320 0.000 3.843 229 L HA -0.242 4.098 4.340 -0.000 0.000 0.411 229 L C 1.632 178.581 176.870 0.130 0.000 1.205 229 L CA 0.276 55.252 54.840 0.227 0.000 0.945 229 L CB -1.832 40.373 42.059 0.244 0.000 1.929 229 L HN 0.612 nan 8.230 nan 0.000 0.934 230 G N -1.079 107.794 108.800 0.122 0.000 2.179 230 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 230 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 230 G C 0.734 175.648 174.900 0.023 0.000 1.010 230 G CA 0.651 45.832 45.100 0.135 0.000 0.736 230 G HN 0.482 nan 8.290 nan 0.000 0.513 231 Q N -1.403 118.234 119.800 -0.272 0.000 2.354 231 Q HA 0.235 4.575 4.340 -0.000 0.000 0.203 231 Q C 1.782 177.351 176.000 -0.720 0.000 0.933 231 Q CA 0.998 56.427 55.803 -0.623 0.000 0.901 231 Q CB -0.004 28.098 28.738 -1.059 0.000 1.007 231 Q HN 0.715 nan 8.270 nan 0.000 0.495 232 F N -1.079 118.846 119.950 -0.043 0.000 2.746 232 F HA 0.480 5.007 4.527 -0.000 0.000 0.313 232 F C 1.074 176.833 175.800 -0.069 0.000 1.095 232 F CA 0.208 58.154 58.000 -0.090 0.000 1.224 232 F CB 1.039 39.930 39.000 -0.182 0.000 1.060 232 F HN -0.053 nan 8.300 nan 0.000 0.584 233 G N -0.215 108.637 108.800 0.085 0.000 2.321 233 G HA2 0.345 4.305 3.960 -0.000 0.000 0.298 233 G HA3 0.345 4.305 3.960 -0.000 0.000 0.298 233 G C -2.210 172.574 174.900 -0.192 0.000 1.385 233 G CA -0.701 44.393 45.100 -0.010 0.000 0.856 233 G HN -0.082 nan 8.290 nan 0.000 0.584 234 V N 0.963 120.616 119.914 -0.435 0.000 2.394 234 V HA 0.648 4.768 4.120 -0.000 0.000 0.282 234 V C 0.295 176.166 176.094 -0.373 0.000 1.031 234 V CA -0.920 60.928 62.300 -0.753 0.000 0.881 234 V CB 0.801 31.794 31.823 -1.383 0.000 0.982 234 V HN 0.614 nan 8.190 nan 0.000 0.451 235 I N 6.826 127.229 120.570 -0.279 0.000 2.436 235 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 235 I C 1.544 177.560 176.117 -0.167 0.000 1.083 235 I CA 0.463 61.661 61.300 -0.169 0.000 1.372 235 I CB 1.300 39.233 38.000 -0.111 0.000 1.408 235 I HN 0.860 nan 8.210 nan 0.000 0.516 236 T N 2.832 117.304 114.554 -0.136 0.000 3.037 236 T HA 0.165 4.515 4.350 -0.000 0.000 0.252 236 T C 0.748 175.392 174.700 -0.092 0.000 1.073 236 T CA -0.092 61.940 62.100 -0.113 0.000 1.091 236 T CB 0.316 69.127 68.868 -0.096 0.000 0.935 236 T HN 0.567 nan 8.240 nan 0.000 0.488 237 R N 0.187 120.636 120.500 -0.085 0.000 2.566 237 R HA 0.657 4.997 4.340 -0.000 0.000 0.271 237 R C -2.225 174.033 176.300 -0.070 0.000 1.071 237 R CA -0.534 55.520 56.100 -0.078 0.000 0.915 237 R CB 1.913 32.177 30.300 -0.061 0.000 1.228 237 R HN 0.260 nan 8.270 nan 0.000 0.449 238 A N 3.602 126.375 122.820 -0.079 0.000 2.371 238 A HA 0.556 4.876 4.320 -0.000 0.000 0.311 238 A C -1.078 176.472 177.584 -0.057 0.000 1.068 238 A CA -0.768 51.236 52.037 -0.054 0.000 0.744 238 A CB 1.542 20.510 19.000 -0.054 0.000 1.239 238 A HN 0.739 nan 8.150 nan 0.000 0.435 239 R N 2.103 122.573 120.500 -0.051 0.000 2.196 239 R HA 0.564 4.904 4.340 -0.000 0.000 0.340 239 R C -1.236 175.049 176.300 -0.025 0.000 1.043 239 R CA 0.026 56.072 56.100 -0.090 0.000 0.883 239 R CB -0.077 30.076 30.300 -0.245 0.000 1.078 239 R HN 0.635 nan 8.270 nan 0.000 0.462 240 I N 3.708 124.295 120.570 0.027 0.000 2.377 240 I HA 0.362 4.532 4.170 -0.000 0.000 0.293 240 I C 0.321 176.482 176.117 0.073 0.000 0.987 240 I CA -0.787 60.544 61.300 0.052 0.000 1.185 240 I CB 1.967 40.005 38.000 0.062 0.000 1.341 240 I HN 0.683 nan 8.210 nan 0.000 0.455 241 A N 6.476 129.317 122.820 0.035 0.000 2.511 241 A HA 0.507 4.827 4.320 -0.000 0.000 0.242 241 A C -0.015 177.563 177.584 -0.010 0.000 1.069 241 A CA -0.185 51.868 52.037 0.027 0.000 0.763 241 A CB 0.207 19.199 19.000 -0.013 0.000 1.001 241 A HN 0.669 nan 8.150 nan 0.000 0.498 242 V N 0.367 120.288 119.914 0.010 0.000 3.126 242 V HA 0.932 5.051 4.120 -0.000 0.000 0.314 242 V C -0.540 175.541 176.094 -0.022 0.000 1.138 242 V CA -0.638 61.656 62.300 -0.010 0.000 1.034 242 V CB 1.729 33.566 31.823 0.024 0.000 1.075 242 V HN 1.101 nan 8.190 nan 0.000 0.442 243 E N 0.887 121.075 120.200 -0.019 0.000 2.392 243 E HA 0.672 5.022 4.350 -0.000 0.000 0.269 243 E C -3.147 173.451 176.600 -0.003 0.000 0.924 243 E CA -2.583 53.804 56.400 -0.022 0.000 0.784 243 E CB 2.039 31.708 29.700 -0.052 0.000 1.292 243 E HN 0.465 nan 8.360 nan 0.000 0.447 244 P HA 0.019 nan 4.420 nan 0.000 0.262 244 P C -0.834 176.448 177.300 -0.030 0.000 1.182 244 P CA 0.275 63.367 63.100 -0.014 0.000 0.761 244 P CB 0.544 32.234 31.700 -0.018 0.000 0.795 245 A N 6.277 129.090 122.820 -0.012 0.000 2.454 245 A HA 0.399 4.719 4.320 -0.000 0.000 0.260 245 A C -1.750 175.749 177.584 -0.142 0.000 1.106 245 A CA -1.045 50.975 52.037 -0.029 0.000 0.780 245 A CB -0.895 18.151 19.000 0.077 0.000 1.044 245 A HN 0.408 nan 8.150 nan 0.000 0.498 246 P HA 0.273 nan 4.420 nan 0.000 0.272 246 P C 0.604 177.735 177.300 -0.281 0.000 1.223 246 P CA 0.223 63.091 63.100 -0.387 0.000 0.784 246 P CB 1.279 32.599 31.700 -0.634 0.000 0.923 247 A N 3.483 126.167 122.820 -0.227 0.000 1.935 247 A HA 0.055 4.374 4.320 -0.000 0.000 0.214 247 A C 1.090 178.559 177.584 -0.192 0.000 1.178 247 A CA 0.951 52.893 52.037 -0.159 0.000 0.640 247 A CB -0.077 18.834 19.000 -0.149 0.000 0.825 247 A HN 0.560 nan 8.150 nan 0.000 0.447 248 R N -2.395 117.852 120.500 -0.422 0.000 2.855 248 R HA 0.682 5.022 4.340 -0.000 0.000 0.266 248 R C -1.450 174.599 176.300 -0.418 0.000 1.034 248 R CA -0.249 55.571 56.100 -0.468 0.000 0.944 248 R CB 2.066 31.893 30.300 -0.788 0.000 1.219 248 R HN 0.243 nan 8.270 nan 0.000 0.474 249 A N 1.602 124.328 122.820 -0.156 0.000 2.353 249 A HA 0.521 4.841 4.320 -0.000 0.000 0.299 249 A C -0.973 176.699 177.584 0.148 0.000 1.089 249 A CA -0.650 51.357 52.037 -0.050 0.000 0.736 249 A CB 1.385 20.238 19.000 -0.243 0.000 1.195 249 A HN 0.535 nan 8.150 nan 0.000 0.447 250 R N 1.825 122.493 120.500 0.279 0.000 2.267 250 R HA 0.365 4.705 4.340 -0.000 0.000 0.319 250 R C -1.358 175.073 176.300 0.219 0.000 1.067 250 R CA -0.185 56.073 56.100 0.264 0.000 0.936 250 R CB 0.261 30.684 30.300 0.206 0.000 1.006 250 R HN 0.690 nan 8.270 nan 0.000 0.452 251 W N 7.305 128.629 121.300 0.040 0.000 2.424 251 W HA 0.445 5.105 4.660 -0.000 0.000 0.318 251 W C -1.460 175.143 176.519 0.140 0.000 1.016 251 W CA -1.183 56.177 57.345 0.024 0.000 1.268 251 W CB 1.044 30.564 29.460 0.101 0.000 1.297 251 W HN 0.392 nan 8.180 nan 0.000 0.428 252 V N 4.256 124.308 119.914 0.230 0.000 2.769 252 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 252 V C -0.618 175.164 176.094 -0.519 0.000 1.061 252 V CA -1.281 60.944 62.300 -0.125 0.000 0.931 252 V CB 2.065 33.698 31.823 -0.317 0.000 1.010 252 V HN 0.492 nan 8.190 nan 0.000 0.433 253 R N 2.718 122.890 120.500 -0.546 0.000 2.561 253 R HA 0.678 5.018 4.340 -0.000 0.000 0.297 253 R C -1.920 174.319 176.300 -0.102 0.000 0.969 253 R CA -0.406 55.414 56.100 -0.465 0.000 0.879 253 R CB 2.074 31.998 30.300 -0.626 0.000 1.178 253 R HN 0.722 nan 8.270 nan 0.000 0.445 254 F N 1.780 121.851 119.950 0.202 0.000 2.482 254 F HA 0.414 4.941 4.527 -0.000 0.000 0.331 254 F C 0.188 176.181 175.800 0.321 0.000 1.115 254 F CA -1.131 56.933 58.000 0.106 0.000 0.955 254 F CB 1.665 40.635 39.000 -0.050 0.000 1.136 254 F HN 0.015 nan 8.300 nan 0.000 0.452 255 V N 3.856 124.031 119.914 0.435 0.000 2.483 255 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 255 V C -0.894 175.246 176.094 0.077 0.000 1.035 255 V CA -0.984 61.516 62.300 0.332 0.000 0.896 255 V CB 1.235 33.220 31.823 0.271 0.000 0.986 255 V HN 0.621 nan 8.190 nan 0.000 0.447 256 Y N 1.201 121.648 120.300 0.245 0.000 2.536 256 Y HA 0.472 5.022 4.550 -0.000 0.000 0.347 256 Y C 1.104 177.119 175.900 0.191 0.000 1.000 256 Y CA -0.692 57.549 58.100 0.236 0.000 1.051 256 Y CB 2.519 41.179 38.460 0.334 0.000 1.259 256 Y HN 0.662 nan 8.280 nan 0.000 0.468 257 T N -3.867 110.873 114.554 0.310 0.000 3.010 257 T HA 0.099 4.449 4.350 -0.000 0.000 0.257 257 T C -0.189 174.740 174.700 0.381 0.000 1.020 257 T CA -0.029 62.226 62.100 0.257 0.000 0.938 257 T CB 0.282 69.205 68.868 0.090 0.000 1.049 257 T HN 0.570 nan 8.240 nan 0.000 0.522 258 D N 0.320 120.952 120.400 0.386 0.000 2.381 258 D HA 0.232 4.872 4.640 -0.000 0.000 0.235 258 D C 0.020 176.424 176.300 0.173 0.000 1.068 258 D CA -0.691 53.483 54.000 0.291 0.000 0.832 258 D CB 1.284 42.216 40.800 0.219 0.000 1.101 258 D HN 0.042 nan 8.370 nan 0.000 0.515 259 F N 4.331 124.218 119.950 -0.105 0.000 2.134 259 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 259 F C 2.038 177.764 175.800 -0.123 0.000 1.097 259 F CA 1.819 59.562 58.000 -0.429 0.000 1.264 259 F CB 0.081 38.853 39.000 -0.379 0.000 1.001 259 F HN 0.507 nan 8.300 nan 0.000 0.479 260 A N 0.383 123.203 122.820 -0.000 0.000 1.908 260 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 260 A C 2.414 179.912 177.584 -0.142 0.000 1.181 260 A CA 1.908 53.909 52.037 -0.060 0.000 0.627 260 A CB -1.563 17.476 19.000 0.064 0.000 0.818 260 A HN 0.503 nan 8.150 nan 0.000 0.445 261 A N -1.154 121.639 122.820 -0.045 0.000 1.898 261 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 261 A C 2.034 179.486 177.584 -0.219 0.000 1.181 261 A CA 1.532 53.576 52.037 0.012 0.000 0.620 261 A CB -0.701 18.443 19.000 0.239 0.000 0.819 261 A HN 0.753 nan 8.150 nan 0.000 0.442 262 F N 2.336 121.894 119.950 -0.653 0.000 2.075 262 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 262 F C 2.684 178.044 175.800 -0.733 0.000 1.113 262 F CA 2.284 59.607 58.000 -1.128 0.000 1.218 262 F CB -0.627 37.816 39.000 -0.928 0.000 0.984 262 F HN 0.291 nan 8.300 nan 0.000 0.472 263 S N 0.832 115.908 115.700 -1.040 0.000 2.383 263 S HA -0.070 4.399 4.470 -0.000 0.000 0.227 263 S C 2.272 176.606 174.600 -0.444 0.000 1.026 263 S CA 0.742 58.419 58.200 -0.872 0.000 0.981 263 S CB -1.335 61.307 63.200 -0.930 0.000 0.818 263 S HN 0.516 nan 8.310 nan 0.000 0.472 264 A N 2.276 124.893 122.820 -0.338 0.000 1.902 264 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 264 A C 1.964 179.448 177.584 -0.166 0.000 1.181 264 A CA 1.746 53.676 52.037 -0.178 0.000 0.623 264 A CB -0.858 18.078 19.000 -0.106 0.000 0.818 264 A HN 0.461 nan 8.150 nan 0.000 0.443 265 D N -0.634 119.644 120.400 -0.203 0.000 2.149 265 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 265 D C 2.223 178.426 176.300 -0.163 0.000 0.972 265 D CA 1.097 55.032 54.000 -0.109 0.000 0.835 265 D CB -0.349 40.467 40.800 0.026 0.000 0.966 265 D HN 0.572 nan 8.370 nan 0.000 0.476 266 Q N 0.339 119.943 119.800 -0.326 0.000 2.096 266 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 266 Q C 1.996 177.824 176.000 -0.286 0.000 0.982 266 Q CA 1.119 56.722 55.803 -0.334 0.000 0.850 266 Q CB -0.060 28.395 28.738 -0.471 0.000 0.901 266 Q HN 0.438 nan 8.270 nan 0.000 0.422 267 E N 0.116 120.174 120.200 -0.236 0.000 2.106 267 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 267 E C 2.070 178.594 176.600 -0.127 0.000 0.984 267 E CA 0.496 56.788 56.400 -0.181 0.000 0.806 267 E CB 0.042 29.674 29.700 -0.112 0.000 0.750 267 E HN 0.220 nan 8.360 nan 0.000 0.458 268 R N 0.410 120.849 120.500 -0.103 0.000 2.073 268 R HA -0.094 4.245 4.340 -0.000 0.000 0.234 268 R C 2.417 178.685 176.300 -0.054 0.000 1.134 268 R CA 1.001 57.067 56.100 -0.056 0.000 0.952 268 R CB -0.267 30.014 30.300 -0.032 0.000 0.850 268 R HN 0.183 nan 8.270 nan 0.000 0.433 269 L N 0.067 121.231 121.223 -0.097 0.000 2.201 269 L HA -0.108 4.231 4.340 -0.000 0.000 0.212 269 L C 2.085 178.814 176.870 -0.234 0.000 1.105 269 L CA 1.454 56.224 54.840 -0.116 0.000 0.775 269 L CB -0.356 41.627 42.059 -0.128 0.000 0.913 269 L HN 0.363 nan 8.230 nan 0.000 0.440 270 T N -3.626 110.729 114.554 -0.332 0.000 3.054 270 T HA 0.409 4.759 4.350 -0.000 0.000 0.255 270 T C 0.679 175.454 174.700 0.124 0.000 1.035 270 T CA -0.005 61.834 62.100 -0.435 0.000 0.941 270 T CB 0.095 68.523 68.868 -0.733 0.000 1.026 270 T HN 0.140 nan 8.240 nan 0.000 0.533 271 A N 2.960 125.836 122.820 0.094 0.000 2.425 271 A HA 0.583 4.903 4.320 -0.000 0.000 0.249 271 A C -2.369 175.308 177.584 0.155 0.000 1.084 271 A CA -1.339 50.769 52.037 0.117 0.000 0.781 271 A CB -0.170 18.845 19.000 0.025 0.000 1.019 271 A HN 0.272 nan 8.150 nan 0.000 0.490 272 P HA 0.175 nan 4.420 nan 0.000 0.269 272 P C 0.101 177.260 177.300 -0.236 0.000 1.209 272 P CA -0.175 62.682 63.100 -0.404 0.000 0.776 272 P CB 0.503 31.990 31.700 -0.354 0.000 0.876 281 F N 1.219 121.165 119.950 -0.007 0.000 2.664 281 F HA 0.758 5.285 4.527 -0.000 0.000 0.329 281 F C 1.269 177.106 175.800 0.062 0.000 1.090 281 F CA -0.072 57.952 58.000 0.041 0.000 0.978 281 F CB 1.135 40.160 39.000 0.042 0.000 1.378 281 F HN 0.745 nan 8.300 nan 0.000 0.495 282 G N 0.345 109.338 108.800 0.322 0.000 2.631 282 G HA2 0.310 4.269 3.960 -0.000 0.000 0.271 282 G HA3 0.310 4.269 3.960 -0.000 0.000 0.271 282 G C -1.991 173.027 174.900 0.196 0.000 1.302 282 G CA -0.756 44.465 45.100 0.201 0.000 1.002 282 G HN 0.450 nan 8.290 nan 0.000 0.519 283 P HA 0.015 nan 4.420 nan 0.000 0.219 283 P C 0.835 178.229 177.300 0.158 0.000 1.150 283 P CA 0.653 63.832 63.100 0.132 0.000 0.814 283 P CB 0.141 31.904 31.700 0.106 0.000 0.787 284 M N -0.104 119.610 119.600 0.190 0.000 2.252 284 M HA 0.030 4.510 4.480 -0.000 0.000 0.348 284 M C 1.202 177.674 176.300 0.287 0.000 1.334 284 M CA 0.756 56.184 55.300 0.212 0.000 1.071 284 M CB 0.049 32.754 32.600 0.175 0.000 1.763 284 M HN -0.132 nan 8.290 nan 0.000 0.452 285 S N 2.357 118.192 115.700 0.225 0.000 2.478 285 S HA 0.062 4.532 4.470 -0.000 0.000 0.222 285 S C -0.097 174.698 174.600 0.326 0.000 1.008 285 S CA 0.253 58.578 58.200 0.209 0.000 0.928 285 S CB 0.102 63.380 63.200 0.131 0.000 0.781 285 S HN 0.695 nan 8.310 nan 0.000 0.518 286 Y N 0.420 120.839 120.300 0.197 0.000 2.436 286 Y HA 0.516 5.066 4.550 -0.000 0.000 0.327 286 Y C -2.078 173.884 175.900 0.104 0.000 1.138 286 Y CA -0.867 57.343 58.100 0.183 0.000 1.042 286 Y CB 1.189 39.684 38.460 0.058 0.000 1.302 286 Y HN -0.208 nan 8.280 nan 0.000 0.439 287 V N 6.408 126.131 119.914 -0.318 0.000 2.524 287 V HA 0.469 4.589 4.120 -0.000 0.000 0.297 287 V C -0.724 174.974 176.094 -0.661 0.000 1.035 287 V CA -0.584 61.480 62.300 -0.394 0.000 0.867 287 V CB 1.580 33.114 31.823 -0.481 0.000 1.004 287 V HN 0.891 nan 8.190 nan 0.000 0.426 288 E N 1.953 121.860 120.200 -0.489 0.000 2.440 288 E HA 0.879 5.229 4.350 -0.000 0.000 0.263 288 E C -0.309 176.333 176.600 0.070 0.000 0.938 288 E CA -0.890 55.287 56.400 -0.371 0.000 0.831 288 E CB 2.874 32.307 29.700 -0.444 0.000 1.456 288 E HN 0.795 nan 8.360 nan 0.000 0.427 289 G N -0.253 108.706 108.800 0.265 0.000 2.698 289 G HA2 0.531 4.491 3.960 -0.000 0.000 0.293 289 G HA3 0.531 4.491 3.960 -0.000 0.000 0.293 289 G C -1.399 173.692 174.900 0.319 0.000 1.437 289 G CA -0.398 44.963 45.100 0.435 0.000 0.852 289 G HN 0.279 nan 8.290 nan 0.000 0.499 290 S N -1.226 114.593 115.700 0.199 0.000 2.549 290 S HA 0.757 5.227 4.470 -0.000 0.000 0.280 290 S C -0.678 173.672 174.600 -0.418 0.000 1.109 290 S CA -0.620 57.491 58.200 -0.148 0.000 0.905 290 S CB 2.076 65.146 63.200 -0.216 0.000 1.081 290 S HN 0.708 nan 8.310 nan 0.000 0.477 291 V N 2.428 121.915 119.914 -0.711 0.000 2.555 291 V HA 0.618 4.737 4.120 -0.000 0.000 0.302 291 V C -1.467 174.057 176.094 -0.951 0.000 1.038 291 V CA -0.597 61.229 62.300 -0.790 0.000 0.887 291 V CB 1.007 32.231 31.823 -0.998 0.000 0.991 291 V HN 0.823 nan 8.190 nan 0.000 0.434 292 F N 3.443 123.175 119.950 -0.363 0.000 2.499 292 F HA 0.602 5.129 4.527 -0.000 0.000 0.333 292 F C 0.154 175.815 175.800 -0.231 0.000 1.138 292 F CA -1.000 56.865 58.000 -0.226 0.000 0.945 292 F CB 1.895 40.791 39.000 -0.173 0.000 1.181 292 F HN 0.418 nan 8.300 nan 0.000 0.435 293 V N 0.329 120.245 119.914 0.003 0.000 2.834 293 V HA 0.336 4.456 4.120 -0.000 0.000 0.301 293 V C 1.026 177.126 176.094 0.010 0.000 1.066 293 V CA -0.533 61.762 62.300 -0.009 0.000 1.052 293 V CB 1.355 33.191 31.823 0.022 0.000 1.021 293 V HN 0.825 nan 8.190 nan 0.000 0.480 294 N N 1.972 120.665 118.700 -0.011 0.000 2.069 294 N HA -0.253 4.487 4.740 -0.000 0.000 0.191 294 N C 1.790 177.299 175.510 -0.001 0.000 1.031 294 N CA 2.329 55.371 53.050 -0.013 0.000 0.852 294 N CB -0.334 38.142 38.487 -0.018 0.000 1.018 294 N HN 0.958 nan 8.380 nan 0.000 0.423 295 Q N -0.616 119.188 119.800 0.007 0.000 2.135 295 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 295 Q C 0.320 176.333 176.000 0.021 0.000 0.981 295 Q CA 1.769 57.579 55.803 0.011 0.000 0.856 295 Q CB -0.034 28.712 28.738 0.013 0.000 0.902 295 Q HN 0.513 nan 8.270 nan 0.000 0.425 296 S N -0.479 115.244 115.700 0.037 0.000 2.562 296 S HA 0.125 4.595 4.470 -0.000 0.000 0.246 296 S C 0.946 175.583 174.600 0.061 0.000 1.056 296 S CA -0.408 57.824 58.200 0.052 0.000 1.042 296 S CB 0.530 63.774 63.200 0.073 0.000 0.822 296 S HN 0.308 nan 8.310 nan 0.000 0.465 297 L N 2.595 123.836 121.223 0.031 0.000 1.955 297 L HA -0.011 4.329 4.340 -0.000 0.000 0.213 297 L C 2.553 179.397 176.870 -0.043 0.000 1.072 297 L CA 2.427 57.267 54.840 0.000 0.000 0.755 297 L CB -1.144 40.886 42.059 -0.047 0.000 0.888 297 L HN 0.397 nan 8.230 nan 0.000 0.432 298 A N -1.791 121.002 122.820 -0.044 0.000 1.908 298 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 298 A C 2.254 179.830 177.584 -0.014 0.000 1.181 298 A CA 2.437 54.441 52.037 -0.054 0.000 0.627 298 A CB -1.301 17.677 19.000 -0.037 0.000 0.818 298 A HN 0.571 nan 8.150 nan 0.000 0.445 299 T N 0.241 114.809 114.554 0.023 0.000 2.708 299 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 299 T C 1.506 176.263 174.700 0.094 0.000 1.037 299 T CA 1.609 63.742 62.100 0.055 0.000 1.146 299 T CB -0.445 68.460 68.868 0.061 0.000 0.865 299 T HN 0.468 nan 8.240 nan 0.000 0.435 300 D N 0.976 121.455 120.400 0.132 0.000 2.144 300 D HA 0.025 4.664 4.640 -0.000 0.000 0.200 300 D C 2.112 178.587 176.300 0.292 0.000 0.978 300 D CA 0.585 54.734 54.000 0.249 0.000 0.833 300 D CB -0.379 40.638 40.800 0.362 0.000 0.961 300 D HN 0.302 nan 8.370 nan 0.000 0.470 301 L N 0.499 121.751 121.223 0.048 0.000 2.056 301 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 301 L C 2.445 179.398 176.870 0.139 0.000 1.078 301 L CA 1.086 55.866 54.840 -0.101 0.000 0.749 301 L CB -0.350 41.463 42.059 -0.410 0.000 0.901 301 L HN -0.022 nan 8.230 nan 0.000 0.433 302 A N -0.093 122.777 122.820 0.085 0.000 1.969 302 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 302 A C 1.894 179.550 177.584 0.120 0.000 1.169 302 A CA 1.532 53.627 52.037 0.096 0.000 0.635 302 A CB -0.472 18.561 19.000 0.055 0.000 0.810 302 A HN 0.406 nan 8.150 nan 0.000 0.445 303 N N 0.036 118.823 118.700 0.146 0.000 2.512 303 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 303 N C 1.734 177.349 175.510 0.175 0.000 1.073 303 N CA 1.559 54.702 53.050 0.155 0.000 0.911 303 N CB -0.501 38.084 38.487 0.164 0.000 0.964 303 N HN 0.729 nan 8.380 nan 0.000 0.447 304 T N -3.446 111.231 114.554 0.205 0.000 2.951 304 T HA 0.056 4.406 4.350 -0.000 0.000 0.268 304 T C 1.644 176.418 174.700 0.123 0.000 1.073 304 T CA 1.192 63.405 62.100 0.188 0.000 1.134 304 T CB -0.288 68.701 68.868 0.200 0.000 0.884 304 T HN 0.250 nan 8.240 nan 0.000 0.479 305 G N 0.196 109.046 108.800 0.084 0.000 2.184 305 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 305 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 305 G C 0.407 175.262 174.900 -0.074 0.000 0.975 305 G CA 0.396 45.513 45.100 0.028 0.000 0.642 305 G HN 0.549 nan 8.290 nan 0.000 0.536 306 F N 0.226 119.976 119.950 -0.333 0.000 2.317 306 F HA 0.554 5.081 4.527 -0.000 0.000 0.290 306 F C 1.042 176.499 175.800 -0.572 0.000 1.075 306 F CA -0.059 57.570 58.000 -0.618 0.000 1.380 306 F CB 0.218 38.661 39.000 -0.929 0.000 1.093 306 F HN 0.005 nan 8.300 nan 0.000 0.524 307 F N 1.348 121.272 119.950 -0.043 0.000 2.396 307 F HA 0.293 4.820 4.527 -0.000 0.000 0.343 307 F C 1.030 176.738 175.800 -0.155 0.000 1.104 307 F CA -1.049 56.846 58.000 -0.175 0.000 1.161 307 F CB 0.230 39.082 39.000 -0.246 0.000 1.146 307 F HN -0.160 nan 8.300 nan 0.000 0.522 308 T N -1.785 112.794 114.554 0.042 0.000 2.754 308 T HA 0.108 4.458 4.350 -0.000 0.000 0.286 308 T C 0.876 175.587 174.700 0.018 0.000 0.997 308 T CA -0.745 61.359 62.100 0.008 0.000 0.982 308 T CB 0.773 69.637 68.868 -0.006 0.000 1.027 308 T HN 0.510 nan 8.240 nan 0.000 0.529 309 D N 0.641 121.044 120.400 0.004 0.000 2.149 309 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 309 D C 2.314 178.609 176.300 -0.009 0.000 0.990 309 D CA 1.577 55.575 54.000 -0.003 0.000 0.839 309 D CB -0.645 40.154 40.800 -0.002 0.000 0.948 309 D HN 0.729 nan 8.370 nan 0.000 0.460 310 A N 1.281 124.103 122.820 0.003 0.000 1.898 310 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 310 A C 1.854 179.448 177.584 0.015 0.000 1.181 310 A CA 1.506 53.549 52.037 0.011 0.000 0.620 310 A CB -0.268 18.744 19.000 0.020 0.000 0.819 310 A HN 0.013 nan 8.150 nan 0.000 0.442 311 D N -0.102 120.309 120.400 0.017 0.000 2.097 311 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 311 D C 2.116 178.297 176.300 -0.198 0.000 0.989 311 D CA 1.524 55.504 54.000 -0.033 0.000 0.827 311 D CB -0.534 40.221 40.800 -0.076 0.000 0.966 311 D HN 0.208 nan 8.370 nan 0.000 0.456 312 V N 1.643 121.443 119.914 -0.189 0.000 2.287 312 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 312 V C 2.587 178.595 176.094 -0.142 0.000 1.053 312 V CA 1.896 64.054 62.300 -0.235 0.000 1.027 312 V CB -0.895 30.847 31.823 -0.134 0.000 0.646 312 V HN 0.190 nan 8.190 nan 0.000 0.447 313 A N -0.166 122.615 122.820 -0.066 0.000 1.940 313 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 313 A C 2.380 179.969 177.584 0.008 0.000 1.176 313 A CA 2.015 54.036 52.037 -0.027 0.000 0.631 313 A CB -0.517 18.478 19.000 -0.009 0.000 0.814 313 A HN 0.531 nan 8.150 nan 0.000 0.446 314 R N -0.731 119.794 120.500 0.042 0.000 2.075 314 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 314 R C 1.974 178.444 176.300 0.282 0.000 1.126 314 R CA 1.602 57.793 56.100 0.151 0.000 0.963 314 R CB -0.448 29.936 30.300 0.139 0.000 0.858 314 R HN 0.599 nan 8.270 nan 0.000 0.435 315 I N 0.068 120.733 120.570 0.158 0.000 2.353 315 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 315 I C 2.212 178.276 176.117 -0.087 0.000 1.119 315 I CA 0.850 62.160 61.300 0.017 0.000 1.417 315 I CB -0.185 37.652 38.000 -0.270 0.000 1.078 315 I HN -0.055 nan 8.210 nan 0.000 0.421 316 V N 1.183 121.045 119.914 -0.087 0.000 2.343 316 V HA -0.304 3.815 4.120 -0.000 0.000 0.247 316 V C 2.753 178.826 176.094 -0.035 0.000 1.051 316 V CA 2.067 64.322 62.300 -0.075 0.000 1.036 316 V CB -0.985 30.798 31.823 -0.066 0.000 0.654 316 V HN 0.500 nan 8.190 nan 0.000 0.451 317 A N -0.218 122.605 122.820 0.005 0.000 1.902 317 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 317 A C 2.162 179.759 177.584 0.022 0.000 1.181 317 A CA 2.071 54.124 52.037 0.026 0.000 0.623 317 A CB -0.544 18.491 19.000 0.058 0.000 0.818 317 A HN 0.478 nan 8.150 nan 0.000 0.443 318 L N -0.238 120.996 121.223 0.019 0.000 2.017 318 L HA -0.046 4.293 4.340 -0.000 0.000 0.208 318 L C 2.620 179.433 176.870 -0.095 0.000 1.073 318 L CA 2.294 57.094 54.840 -0.067 0.000 0.745 318 L CB -0.705 41.166 42.059 -0.315 0.000 0.894 318 L HN 0.312 nan 8.230 nan 0.000 0.432 319 A N -0.450 122.309 122.820 -0.102 0.000 1.933 319 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 319 A C 2.322 179.879 177.584 -0.045 0.000 1.175 319 A CA 1.509 53.498 52.037 -0.080 0.000 0.628 319 A CB -1.597 17.348 19.000 -0.091 0.000 0.814 319 A HN 0.554 nan 8.150 nan 0.000 0.444 320 G N 0.584 109.364 108.800 -0.034 0.000 2.421 320 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 320 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 320 G C 1.421 176.315 174.900 -0.010 0.000 1.171 320 G CA 1.062 46.151 45.100 -0.018 0.000 0.775 320 G HN 0.802 nan 8.290 nan 0.000 0.543 321 E N 0.141 120.337 120.200 -0.006 0.000 2.268 321 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 321 E C 2.168 178.768 176.600 -0.001 0.000 0.995 321 E CA 0.551 56.952 56.400 0.001 0.000 0.836 321 E CB -0.174 29.532 29.700 0.011 0.000 0.763 321 E HN 0.378 nan 8.360 nan 0.000 0.491 322 R N 0.244 120.738 120.500 -0.009 0.000 2.362 322 R HA 0.143 4.483 4.340 -0.000 0.000 0.227 322 R C -0.273 176.028 176.300 0.003 0.000 0.905 322 R CA 0.393 56.491 56.100 -0.003 0.000 1.067 322 R CB -0.000 30.294 30.300 -0.009 0.000 1.078 322 R HN 0.209 nan 8.270 nan 0.000 0.516 323 N N 0.375 119.074 118.700 -0.003 0.000 2.727 323 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 323 N C -0.761 174.750 175.510 0.002 0.000 1.048 323 N CA 0.370 53.419 53.050 -0.001 0.000 0.714 323 N CB -0.730 37.760 38.487 0.004 0.000 0.959 323 N HN 0.273 nan 8.380 nan 0.000 0.544 324 A N 0.085 122.902 122.820 -0.005 0.000 2.366 324 A HA 0.447 4.766 4.320 -0.000 0.000 0.272 324 A C 1.549 179.123 177.584 -0.016 0.000 1.135 324 A CA 0.248 52.284 52.037 -0.000 0.000 0.804 324 A CB 0.386 19.382 19.000 -0.007 0.000 1.064 324 A HN 0.424 nan 8.150 nan 0.000 0.499 325 T N -0.937 113.613 114.554 -0.007 0.000 3.067 325 T HA 0.170 4.519 4.350 -0.000 0.000 0.257 325 T C 0.665 175.335 174.700 -0.050 0.000 1.105 325 T CA 1.026 63.115 62.100 -0.019 0.000 1.104 325 T CB -0.493 68.372 68.868 -0.004 0.000 0.925 325 T HN 1.072 nan 8.240 nan 0.000 0.498 326 T N -0.431 114.072 114.554 -0.086 0.000 2.912 326 T HA 0.715 5.064 4.350 -0.000 0.000 0.299 326 T C -1.032 173.447 174.700 -0.368 0.000 1.052 326 T CA -0.765 61.182 62.100 -0.254 0.000 0.996 326 T CB 2.079 70.753 68.868 -0.322 0.000 1.070 326 T HN 0.008 nan 8.240 nan 0.000 0.465 327 V N 2.817 122.475 119.914 -0.428 0.000 2.628 327 V HA 0.619 4.739 4.120 -0.000 0.000 0.306 327 V C -1.349 174.465 176.094 -0.467 0.000 1.045 327 V CA -0.911 61.202 62.300 -0.312 0.000 0.905 327 V CB 1.533 33.277 31.823 -0.132 0.000 0.997 327 V HN 0.945 nan 8.190 nan 0.000 0.436 328 Y N 1.395 121.700 120.300 0.008 0.000 2.485 328 Y HA 0.696 5.246 4.550 -0.000 0.000 0.345 328 Y C 0.278 176.215 175.900 0.062 0.000 0.998 328 Y CA -0.682 57.259 58.100 -0.264 0.000 1.059 328 Y CB 2.277 40.157 38.460 -0.965 0.000 1.234 328 Y HN 0.518 nan 8.280 nan 0.000 0.461 329 S N 2.982 118.846 115.700 0.274 0.000 2.594 329 S HA 0.608 5.078 4.470 -0.000 0.000 0.296 329 S C -1.083 173.862 174.600 0.575 0.000 1.124 329 S CA -0.558 57.950 58.200 0.512 0.000 1.011 329 S CB 0.357 63.890 63.200 0.555 0.000 1.016 329 S HN 0.590 nan 8.310 nan 0.000 0.485 330 I N 3.804 124.779 120.570 0.674 0.000 2.441 330 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 330 I C 0.508 176.733 176.117 0.179 0.000 1.049 330 I CA -0.179 61.409 61.300 0.479 0.000 1.381 330 I CB 1.047 39.365 38.000 0.529 0.000 1.409 330 I HN 0.646 nan 8.210 nan 0.000 0.523 331 E N 6.124 126.409 120.200 0.142 0.000 2.158 331 E HA 0.710 5.060 4.350 -0.000 0.000 0.271 331 E C -1.477 175.236 176.600 0.188 0.000 0.911 331 E CA -0.632 55.826 56.400 0.097 0.000 0.767 331 E CB 1.644 31.488 29.700 0.239 0.000 1.120 331 E HN 0.734 nan 8.360 nan 0.000 0.405 332 A N 2.941 125.832 122.820 0.119 0.000 2.539 332 A HA 0.703 5.023 4.320 -0.000 0.000 0.296 332 A C -0.635 177.031 177.584 0.137 0.000 1.073 332 A CA -0.602 51.547 52.037 0.186 0.000 0.700 332 A CB 1.881 20.941 19.000 0.099 0.000 1.296 332 A HN 0.620 nan 8.150 nan 0.000 0.405 333 T N -1.310 113.299 114.554 0.093 0.000 2.916 333 T HA 0.685 5.035 4.350 -0.000 0.000 0.292 333 T C -1.198 173.522 174.700 0.032 0.000 1.055 333 T CA -0.592 61.460 62.100 -0.081 0.000 1.009 333 T CB 1.411 69.944 68.868 -0.559 0.000 1.118 333 T HN 1.387 nan 8.240 nan 0.000 0.497 334 L N 2.487 123.739 121.223 0.049 0.000 2.372 334 L HA 0.569 4.909 4.340 -0.000 0.000 0.273 334 L C -1.029 175.917 176.870 0.126 0.000 0.989 334 L CA -0.540 54.361 54.840 0.101 0.000 0.841 334 L CB 1.233 43.365 42.059 0.122 0.000 1.225 334 L HN 0.669 nan 8.230 nan 0.000 0.414 335 N N 4.221 122.959 118.700 0.062 0.000 2.530 335 N HA 0.434 5.174 4.740 -0.000 0.000 0.273 335 N C -0.938 174.636 175.510 0.107 0.000 1.173 335 N CA 0.158 53.202 53.050 -0.010 0.000 0.967 335 N CB 0.909 39.304 38.487 -0.153 0.000 1.109 335 N HN 0.647 nan 8.380 nan 0.000 0.453 345 A N 0.314 123.095 122.820 -0.065 0.000 1.898 345 A HA 0.201 4.521 4.320 -0.000 0.000 0.216 345 A C 2.012 179.545 177.584 -0.085 0.000 1.181 345 A CA 2.110 54.112 52.037 -0.058 0.000 0.620 345 A CB -0.835 18.139 19.000 -0.044 0.000 0.819 345 A HN 0.858 nan 8.150 nan 0.000 0.442 346 V N 0.737 120.550 119.914 -0.168 0.000 2.343 346 V HA -0.248 3.871 4.120 -0.000 0.000 0.247 346 V C 2.161 178.189 176.094 -0.111 0.000 1.051 346 V CA 2.221 64.391 62.300 -0.216 0.000 1.036 346 V CB -0.883 30.632 31.823 -0.513 0.000 0.654 346 V HN 0.470 nan 8.190 nan 0.000 0.451 347 D N -0.311 120.034 120.400 -0.091 0.000 2.116 347 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 347 D C 2.230 178.523 176.300 -0.012 0.000 0.998 347 D CA 1.638 55.616 54.000 -0.037 0.000 0.836 347 D CB -0.214 40.568 40.800 -0.030 0.000 0.951 347 D HN 0.394 nan 8.370 nan 0.000 0.449 348 Q N 0.828 120.618 119.800 -0.016 0.000 2.123 348 Q HA -0.110 4.230 4.340 -0.000 0.000 0.199 348 Q C 1.892 177.897 176.000 0.008 0.000 0.966 348 Q CA 1.497 57.299 55.803 -0.002 0.000 0.845 348 Q CB -0.238 28.497 28.738 -0.005 0.000 0.907 348 Q HN 0.409 nan 8.270 nan 0.000 0.439 349 E N -0.753 119.449 120.200 0.002 0.000 2.058 349 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 349 E C 1.827 178.452 176.600 0.042 0.000 0.997 349 E CA 1.323 57.734 56.400 0.019 0.000 0.801 349 E CB -0.263 29.444 29.700 0.011 0.000 0.746 349 E HN 0.349 nan 8.360 nan 0.000 0.450 350 L N 0.785 122.034 121.223 0.044 0.000 2.017 350 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 350 L C 2.306 179.231 176.870 0.090 0.000 1.073 350 L CA 2.241 57.133 54.840 0.086 0.000 0.745 350 L CB -0.795 41.318 42.059 0.091 0.000 0.894 350 L HN 0.222 nan 8.230 nan 0.000 0.432 351 A N -1.624 121.233 122.820 0.061 0.000 1.908 351 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 351 A C 2.420 180.030 177.584 0.044 0.000 1.181 351 A CA 2.091 54.160 52.037 0.053 0.000 0.627 351 A CB -0.977 18.043 19.000 0.032 0.000 0.818 351 A HN 0.527 nan 8.150 nan 0.000 0.445 352 S N -0.623 115.100 115.700 0.039 0.000 2.368 352 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 352 S C 1.922 176.547 174.600 0.042 0.000 1.030 352 S CA 1.440 59.659 58.200 0.032 0.000 0.999 352 S CB -0.414 62.803 63.200 0.028 0.000 0.844 352 S HN 0.367 nan 8.310 nan 0.000 0.459 353 V N 2.411 122.363 119.914 0.063 0.000 2.307 353 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 353 V C 2.158 178.297 176.094 0.075 0.000 1.045 353 V CA 1.436 63.784 62.300 0.079 0.000 1.024 353 V CB -0.789 31.104 31.823 0.115 0.000 0.651 353 V HN 0.442 nan 8.190 nan 0.000 0.449 354 L N 0.670 121.942 121.223 0.081 0.000 2.131 354 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 354 L C 2.590 179.474 176.870 0.022 0.000 1.092 354 L CA 1.620 56.494 54.840 0.058 0.000 0.759 354 L CB -1.275 40.837 42.059 0.090 0.000 0.903 354 L HN 0.501 nan 8.230 nan 0.000 0.435 355 G N -0.117 108.688 108.800 0.009 0.000 2.498 355 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 355 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 355 G C 1.618 176.498 174.900 -0.033 0.000 1.119 355 G CA 1.180 46.263 45.100 -0.028 0.000 0.766 355 G HN 0.485 nan 8.290 nan 0.000 0.552 356 T N -1.474 113.075 114.554 -0.008 0.000 3.100 356 T HA 0.391 4.741 4.350 -0.000 0.000 0.253 356 T C 0.999 175.696 174.700 -0.005 0.000 1.118 356 T CA -0.187 61.911 62.100 -0.004 0.000 1.058 356 T CB -0.047 68.830 68.868 0.015 0.000 0.953 356 T HN 0.099 nan 8.240 nan 0.000 0.515 357 L N 0.346 121.560 121.223 -0.015 0.000 2.416 357 L HA 0.568 4.908 4.340 -0.000 0.000 0.263 357 L C 0.560 177.378 176.870 -0.087 0.000 1.065 357 L CA -1.000 53.851 54.840 0.019 0.000 0.798 357 L CB 1.385 43.514 42.059 0.117 0.000 1.267 357 L HN -0.034 nan 8.230 nan 0.000 0.467 358 S N -1.316 114.391 115.700 0.012 0.000 2.902 358 S HA 0.209 4.679 4.470 -0.000 0.000 0.250 358 S C -0.451 174.087 174.600 -0.102 0.000 1.046 358 S CA -0.591 57.571 58.200 -0.062 0.000 1.069 358 S CB -0.151 63.084 63.200 0.058 0.000 0.967 358 S HN 0.458 nan 8.310 nan 0.000 0.530 359 Y N -0.020 120.110 120.300 -0.284 0.000 2.385 359 Y HA 0.543 5.093 4.550 -0.000 0.000 0.346 359 Y C 0.214 175.918 175.900 -0.326 0.000 1.270 359 Y CA -1.209 56.434 58.100 -0.763 0.000 1.472 359 Y CB -0.139 37.889 38.460 -0.720 0.000 1.354 359 Y HN -0.103 nan 8.280 nan 0.000 0.611 360 V N 2.345 122.206 119.914 -0.088 0.000 2.485 360 V HA -0.020 4.100 4.120 -0.000 0.000 0.287 360 V C 0.356 176.581 176.094 0.218 0.000 1.022 360 V CA -0.309 62.001 62.300 0.017 0.000 1.067 360 V CB 0.019 31.797 31.823 -0.075 0.000 0.967 360 V HN 0.762 nan 8.190 nan 0.000 0.479 361 E N 3.963 124.200 120.200 0.062 0.000 2.465 361 E HA 0.345 4.694 4.350 -0.000 0.000 0.260 361 E C 1.143 177.859 176.600 0.194 0.000 0.980 361 E CA 1.275 57.715 56.400 0.067 0.000 0.927 361 E CB 0.324 30.007 29.700 -0.028 0.000 0.934 361 E HN 0.961 nan 8.360 nan 0.000 0.459 362 G N 3.499 112.350 108.800 0.084 0.000 2.175 362 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 362 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 362 G C 0.307 174.896 174.900 -0.518 0.000 0.982 362 G CA 0.135 45.125 45.100 -0.184 0.000 0.641 362 G HN 0.454 nan 8.290 nan 0.000 0.527 363 F N 1.466 121.386 119.950 -0.049 0.000 2.881 363 F HA 0.688 5.215 4.527 -0.000 0.000 0.343 363 F C 0.913 176.623 175.800 -0.149 0.000 1.233 363 F CA -0.122 57.799 58.000 -0.132 0.000 1.262 363 F CB 1.007 40.107 39.000 0.166 0.000 0.980 363 F HN 0.394 nan 8.300 nan 0.000 0.506 364 A N 0.610 123.304 122.820 -0.210 0.000 2.260 364 A HA 0.727 5.047 4.320 -0.000 0.000 0.314 364 A C -1.036 176.397 177.584 -0.251 0.000 1.257 364 A CA -0.206 51.793 52.037 -0.063 0.000 0.871 364 A CB 0.098 19.080 19.000 -0.029 0.000 1.166 364 A HN 0.253 nan 8.150 nan 0.000 0.522 365 F N 0.901 120.984 119.950 0.222 0.000 2.495 365 F HA 0.510 5.037 4.527 -0.000 0.000 0.327 365 F C 0.609 176.551 175.800 0.237 0.000 1.103 365 F CA -0.205 57.944 58.000 0.248 0.000 0.949 365 F CB 2.080 41.347 39.000 0.444 0.000 1.142 365 F HN 0.540 nan 8.300 nan 0.000 0.457 366 Q N 3.150 123.118 119.800 0.280 0.000 2.353 366 Q HA 0.629 4.969 4.340 -0.000 0.000 0.268 366 Q C -0.850 175.161 176.000 0.017 0.000 1.045 366 Q CA -1.021 54.889 55.803 0.178 0.000 0.811 366 Q CB 3.066 31.875 28.738 0.118 0.000 1.305 366 Q HN 0.662 nan 8.270 nan 0.000 0.447 367 R N 0.925 121.448 120.500 0.039 0.000 2.837 367 R HA 0.430 4.770 4.340 -0.000 0.000 0.271 367 R C -1.416 174.982 176.300 0.163 0.000 0.993 367 R CA -0.720 55.351 56.100 -0.049 0.000 0.931 367 R CB 1.857 31.958 30.300 -0.333 0.000 1.206 367 R HN 0.555 nan 8.270 nan 0.000 0.474 368 D N 2.115 122.603 120.400 0.147 0.000 2.620 368 D HA 0.348 4.988 4.640 -0.000 0.000 0.252 368 D C -1.116 175.293 176.300 0.182 0.000 1.207 368 D CA -0.328 53.793 54.000 0.202 0.000 0.884 368 D CB 1.806 42.713 40.800 0.178 0.000 1.262 368 D HN 0.333 nan 8.370 nan 0.000 0.552 369 V N 0.037 120.074 119.914 0.204 0.000 3.102 369 V HA 0.896 5.016 4.120 -0.000 0.000 0.312 369 V C 0.044 176.184 176.094 0.076 0.000 1.135 369 V CA -1.083 61.313 62.300 0.161 0.000 1.022 369 V CB 1.153 33.136 31.823 0.267 0.000 1.056 369 V HN 0.591 nan 8.190 nan 0.000 0.436 370 A N 0.724 123.573 122.820 0.049 0.000 2.462 370 A HA 0.405 4.725 4.320 -0.000 0.000 0.243 370 A C 0.550 178.158 177.584 0.040 0.000 1.076 370 A CA 0.185 52.232 52.037 0.017 0.000 0.773 370 A CB -0.328 18.677 19.000 0.007 0.000 1.010 370 A HN 1.348 nan 8.150 nan 0.000 0.493 371 Y N 2.621 122.855 120.300 -0.111 0.000 2.114 371 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 371 Y C 2.377 178.214 175.900 -0.106 0.000 1.165 371 Y CA 2.463 60.497 58.100 -0.111 0.000 1.148 371 Y CB -0.665 37.725 38.460 -0.116 0.000 0.972 371 Y HN 0.684 nan 8.280 nan 0.000 0.504 372 A N 0.195 122.898 122.820 -0.195 0.000 1.933 372 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 372 A C 2.463 179.874 177.584 -0.288 0.000 1.175 372 A CA 1.875 53.720 52.037 -0.320 0.000 0.628 372 A CB -1.436 17.462 19.000 -0.171 0.000 0.814 372 A HN 0.598 nan 8.150 nan 0.000 0.444 373 A N -1.073 121.653 122.820 -0.156 0.000 1.933 373 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 373 A C 2.026 179.511 177.584 -0.165 0.000 1.175 373 A CA 1.571 53.544 52.037 -0.108 0.000 0.628 373 A CB -0.691 18.304 19.000 -0.008 0.000 0.814 373 A HN 0.722 nan 8.150 nan 0.000 0.444 374 F N 0.691 120.427 119.950 -0.357 0.000 2.102 374 F HA -0.123 4.403 4.527 -0.000 0.000 0.298 374 F C 1.861 177.282 175.800 -0.632 0.000 1.105 374 F CA 1.719 59.355 58.000 -0.607 0.000 1.239 374 F CB -0.334 38.232 39.000 -0.723 0.000 0.991 374 F HN 0.131 nan 8.300 nan 0.000 0.474 375 L N -0.150 120.595 121.223 -0.796 0.000 2.083 375 L HA -0.190 4.149 4.340 -0.000 0.000 0.209 375 L C 1.337 177.767 176.870 -0.732 0.000 1.083 375 L CA 1.724 55.987 54.840 -0.963 0.000 0.752 375 L CB -0.646 40.721 42.059 -1.154 0.000 0.899 375 L HN 0.116 nan 8.230 nan 0.000 0.433 376 D N -0.437 119.646 120.400 -0.529 0.000 2.358 376 D HA -0.027 4.613 4.640 -0.000 0.000 0.224 376 D C 1.962 178.126 176.300 -0.228 0.000 1.123 376 D CA -0.092 53.701 54.000 -0.346 0.000 0.833 376 D CB 0.244 40.879 40.800 -0.275 0.000 0.946 376 D HN 0.181 nan 8.370 nan 0.000 0.505 377 R N -0.580 119.735 120.500 -0.309 0.000 2.117 377 R HA -0.121 4.219 4.340 -0.000 0.000 0.243 377 R C 1.246 177.530 176.300 -0.027 0.000 1.143 377 R CA 1.333 57.347 56.100 -0.144 0.000 0.968 377 R CB -0.801 29.385 30.300 -0.190 0.000 0.863 377 R HN 0.099 nan 8.270 nan 0.000 0.444 378 V N 1.171 121.070 119.914 -0.026 0.000 2.871 378 V HA -0.155 3.964 4.120 -0.000 0.000 0.256 378 V C 2.301 178.445 176.094 0.082 0.000 1.082 378 V CA 1.822 64.184 62.300 0.103 0.000 1.105 378 V CB -0.843 31.130 31.823 0.249 0.000 0.713 378 V HN 0.471 nan 8.190 nan 0.000 0.473 379 H N 1.671 120.688 119.070 -0.089 0.000 2.319 379 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 379 H C 2.238 177.492 175.328 -0.123 0.000 1.092 379 H CA 2.008 57.970 56.048 -0.143 0.000 1.302 379 H CB -0.550 29.102 29.762 -0.184 0.000 1.373 379 H HN 0.336 nan 8.280 nan 0.000 0.497 380 G N -0.211 108.485 108.800 -0.174 0.000 2.432 380 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 380 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 380 G C 1.573 176.384 174.900 -0.149 0.000 1.135 380 G CA 0.802 45.791 45.100 -0.185 0.000 0.767 380 G HN 0.545 nan 8.290 nan 0.000 0.550 381 E N -0.038 120.119 120.200 -0.072 0.000 2.072 381 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 381 E C 2.272 178.821 176.600 -0.084 0.000 0.985 381 E CA 0.961 57.363 56.400 0.003 0.000 0.801 381 E CB -0.106 29.669 29.700 0.124 0.000 0.750 381 E HN 0.646 nan 8.360 nan 0.000 0.452 382 E N 0.763 120.765 120.200 -0.330 0.000 2.051 382 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 382 E C 2.126 178.413 176.600 -0.522 0.000 0.991 382 E CA 1.236 57.142 56.400 -0.823 0.000 0.799 382 E CB 0.125 29.103 29.700 -1.203 0.000 0.748 382 E HN 0.036 nan 8.360 nan 0.000 0.449 383 V N 1.411 121.056 119.914 -0.449 0.000 2.287 383 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 383 V C 2.519 178.520 176.094 -0.156 0.000 1.053 383 V CA 2.012 64.122 62.300 -0.316 0.000 1.027 383 V CB -0.891 30.721 31.823 -0.352 0.000 0.646 383 V HN 0.487 nan 8.190 nan 0.000 0.447 384 A N -0.531 122.222 122.820 -0.111 0.000 1.902 384 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 384 A C 2.210 179.813 177.584 0.031 0.000 1.181 384 A CA 1.760 53.781 52.037 -0.027 0.000 0.623 384 A CB -0.517 18.480 19.000 -0.006 0.000 0.818 384 A HN 0.499 nan 8.150 nan 0.000 0.443 385 L N -0.636 120.632 121.223 0.076 0.000 2.093 385 L HA -0.157 4.182 4.340 -0.000 0.000 0.208 385 L C 2.444 179.434 176.870 0.201 0.000 1.085 385 L CA 1.465 56.420 54.840 0.192 0.000 0.755 385 L CB -0.472 41.816 42.059 0.382 0.000 0.904 385 L HN 0.480 nan 8.230 nan 0.000 0.435 386 N N 0.263 119.048 118.700 0.141 0.000 2.244 386 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 386 N C 1.738 177.298 175.510 0.084 0.000 1.016 386 N CA 1.189 54.323 53.050 0.140 0.000 0.866 386 N CB 0.092 38.600 38.487 0.034 0.000 0.980 386 N HN 0.139 nan 8.380 nan 0.000 0.430 387 K N -0.339 120.088 120.400 0.044 0.000 2.148 387 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 387 K C 1.220 177.848 176.600 0.048 0.000 1.050 387 K CA 0.781 57.088 56.287 0.033 0.000 0.942 387 K CB -0.008 32.499 32.500 0.012 0.000 0.724 387 K HN 0.272 nan 8.250 nan 0.000 0.446 388 L N -0.352 120.911 121.223 0.066 0.000 2.592 388 L HA 0.125 4.465 4.340 -0.000 0.000 0.227 388 L C 0.893 177.809 176.870 0.077 0.000 1.127 388 L CA 0.156 55.037 54.840 0.068 0.000 0.884 388 L CB 0.254 42.357 42.059 0.074 0.000 1.065 388 L HN 0.320 nan 8.230 nan 0.000 0.457 389 G N 0.572 109.428 108.800 0.095 0.000 2.176 389 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 389 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 389 G C 0.486 175.452 174.900 0.110 0.000 1.024 389 G CA 0.303 45.462 45.100 0.097 0.000 0.755 389 G HN 0.369 nan 8.290 nan 0.000 0.507 390 L N -1.527 119.794 121.223 0.162 0.000 2.808 390 L HA 0.319 4.659 4.340 -0.000 0.000 0.246 390 L C 2.063 179.089 176.870 0.261 0.000 1.153 390 L CA -0.527 54.413 54.840 0.167 0.000 0.956 390 L CB -0.018 42.138 42.059 0.161 0.000 1.270 390 L HN 0.501 nan 8.230 nan 0.000 0.528 391 W N 1.366 122.736 121.300 0.116 0.000 2.601 391 W HA 0.069 4.729 4.660 -0.000 0.000 0.292 391 W C 0.789 177.408 176.519 0.167 0.000 1.153 391 W CA 0.136 57.595 57.345 0.191 0.000 1.448 391 W CB 0.405 29.974 29.460 0.181 0.000 1.113 391 W HN -0.079 nan 8.180 nan 0.000 0.548 392 R N 1.927 122.550 120.500 0.205 0.000 4.164 392 R HA 0.106 4.446 4.340 -0.000 0.000 0.195 392 R C -0.167 176.050 176.300 -0.138 0.000 1.712 392 R CA -0.086 56.032 56.100 0.030 0.000 1.457 392 R CB -0.228 30.145 30.300 0.122 0.000 1.387 392 R HN -0.110 nan 8.270 nan 0.000 0.785 393 V N -2.002 117.688 119.914 -0.374 0.000 3.126 393 V HA 0.657 4.777 4.120 -0.000 0.000 0.314 393 V C -2.722 172.870 176.094 -0.836 0.000 1.138 393 V CA -3.514 58.512 62.300 -0.457 0.000 1.034 393 V CB 2.232 33.858 31.823 -0.328 0.000 1.075 393 V HN 0.112 nan 8.190 nan 0.000 0.442 394 P HA 0.275 nan 4.420 nan 0.000 0.265 394 P C -1.106 175.765 177.300 -0.715 0.000 1.193 394 P CA 0.567 63.345 63.100 -0.537 0.000 0.765 394 P CB -0.132 31.403 31.700 -0.275 0.000 0.823 395 H N 3.421 122.238 119.070 -0.422 0.000 2.530 395 H HA 0.230 4.786 4.556 -0.000 0.000 0.246 395 H C -1.937 173.250 175.328 -0.235 0.000 1.346 395 H CA -1.858 53.913 56.048 -0.462 0.000 1.424 395 H CB 0.456 29.510 29.762 -1.180 0.000 1.445 395 H HN 0.299 nan 8.280 nan 0.000 0.511 396 P HA -0.039 nan 4.420 nan 0.000 0.230 396 P C -0.609 176.961 177.300 0.450 0.000 1.791 396 P CA -0.319 62.891 63.100 0.184 0.000 1.020 396 P CB -0.200 31.564 31.700 0.107 0.000 1.977 397 W N 1.725 123.123 121.300 0.163 0.000 2.190 397 W HA 0.277 4.937 4.660 -0.000 0.000 0.330 397 W C 0.323 176.915 176.519 0.122 0.000 1.299 397 W CA -0.355 57.080 57.345 0.150 0.000 1.215 397 W CB 0.104 29.623 29.460 0.098 0.000 1.147 397 W HN 0.087 nan 8.180 nan 0.000 0.563 398 L N 5.511 126.915 121.223 0.302 0.000 2.319 398 L HA 0.435 4.775 4.340 -0.000 0.000 0.281 398 L C -0.692 176.226 176.870 0.080 0.000 1.005 398 L CA -0.313 54.637 54.840 0.183 0.000 0.828 398 L CB 0.379 42.572 42.059 0.224 0.000 1.227 398 L HN 0.290 nan 8.230 nan 0.000 0.415 399 N N 7.464 126.196 118.700 0.053 0.000 2.346 399 N HA 0.700 5.440 4.740 -0.000 0.000 0.289 399 N C -1.055 174.413 175.510 -0.070 0.000 1.027 399 N CA -0.435 52.613 53.050 -0.003 0.000 0.864 399 N CB 2.244 40.767 38.487 0.059 0.000 1.370 399 N HN 0.706 nan 8.380 nan 0.000 0.481 400 M N -0.773 118.722 119.600 -0.175 0.000 2.644 400 M HA 0.586 5.066 4.480 -0.000 0.000 0.273 400 M C -1.939 174.155 176.300 -0.343 0.000 1.253 400 M CA -0.772 54.395 55.300 -0.222 0.000 0.852 400 M CB 1.889 34.434 32.600 -0.092 0.000 1.708 400 M HN 0.020 nan 8.290 nan 0.000 0.471 401 F N 1.344 121.308 119.950 0.023 0.000 2.411 401 F HA 0.670 5.197 4.527 -0.000 0.000 0.352 401 F C -0.443 175.352 175.800 -0.008 0.000 1.123 401 F CA -0.865 57.124 58.000 -0.019 0.000 1.044 401 F CB 1.914 40.776 39.000 -0.229 0.000 1.135 401 F HN 0.302 nan 8.300 nan 0.000 0.461 402 V N 5.731 125.770 119.914 0.208 0.000 2.417 402 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 402 V C -2.103 174.123 176.094 0.220 0.000 1.024 402 V CA -2.220 60.146 62.300 0.110 0.000 0.861 402 V CB 1.688 33.423 31.823 -0.147 0.000 0.985 402 V HN 0.477 nan 8.190 nan 0.000 0.436 403 P HA 0.065 nan 4.420 nan 0.000 0.266 403 P C 0.649 178.078 177.300 0.215 0.000 1.195 403 P CA -0.042 63.173 63.100 0.191 0.000 0.768 403 P CB 0.930 32.690 31.700 0.101 0.000 0.838 404 R N 2.967 123.622 120.500 0.260 0.000 2.103 404 R HA -0.174 4.165 4.340 -0.000 0.000 0.242 404 R C 2.030 178.428 176.300 0.164 0.000 1.142 404 R CA 2.502 58.770 56.100 0.280 0.000 0.960 404 R CB -0.718 29.723 30.300 0.235 0.000 0.858 404 R HN 0.597 nan 8.270 nan 0.000 0.439 405 S N -0.259 115.514 115.700 0.122 0.000 2.469 405 S HA -0.056 4.414 4.470 -0.000 0.000 0.238 405 S C 1.377 176.028 174.600 0.085 0.000 0.998 405 S CA 0.679 58.932 58.200 0.089 0.000 0.957 405 S CB 0.030 63.270 63.200 0.067 0.000 0.764 405 S HN 0.328 nan 8.310 nan 0.000 0.514 406 R N -0.475 120.081 120.500 0.094 0.000 2.508 406 R HA 0.436 4.776 4.340 -0.000 0.000 0.300 406 R C 1.246 177.615 176.300 0.114 0.000 0.970 406 R CA -0.131 56.026 56.100 0.095 0.000 1.102 406 R CB -0.858 29.495 30.300 0.089 0.000 1.246 406 R HN 0.437 nan 8.270 nan 0.000 0.539 407 I N 1.453 122.070 120.570 0.078 0.000 2.394 407 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 407 I C 1.987 178.155 176.117 0.086 0.000 1.136 407 I CA 1.178 62.492 61.300 0.025 0.000 1.425 407 I CB -0.037 37.783 38.000 -0.300 0.000 1.079 407 I HN 0.146 nan 8.210 nan 0.000 0.425 408 A N -0.213 122.701 122.820 0.156 0.000 1.930 408 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 408 A C 2.008 179.586 177.584 -0.010 0.000 1.175 408 A CA 1.958 54.048 52.037 0.089 0.000 0.627 408 A CB -0.769 18.351 19.000 0.200 0.000 0.815 408 A HN 0.437 nan 8.150 nan 0.000 0.443 409 D N -1.050 119.396 120.400 0.078 0.000 2.117 409 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 409 D C 1.616 178.027 176.300 0.186 0.000 0.987 409 D CA 1.143 55.217 54.000 0.124 0.000 0.829 409 D CB -0.453 40.425 40.800 0.130 0.000 0.961 409 D HN 0.481 nan 8.370 nan 0.000 0.460 410 F N 1.555 121.524 119.950 0.031 0.000 2.126 410 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 410 F C 2.035 177.644 175.800 -0.317 0.000 1.096 410 F CA 1.783 59.768 58.000 -0.024 0.000 1.255 410 F CB -0.066 38.887 39.000 -0.077 0.000 0.997 410 F HN -0.141 nan 8.300 nan 0.000 0.479 411 D N -0.406 119.889 120.400 -0.175 0.000 2.117 411 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 411 D C 2.321 178.461 176.300 -0.267 0.000 0.987 411 D CA 1.553 55.373 54.000 -0.301 0.000 0.829 411 D CB -0.108 40.106 40.800 -0.976 0.000 0.961 411 D HN 0.207 nan 8.370 nan 0.000 0.460 412 R N -0.677 119.687 120.500 -0.227 0.000 2.081 412 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 412 R C 2.460 178.574 176.300 -0.310 0.000 1.131 412 R CA 1.381 57.380 56.100 -0.169 0.000 0.960 412 R CB -0.432 29.827 30.300 -0.068 0.000 0.856 412 R HN 0.288 nan 8.270 nan 0.000 0.436 413 G N -0.757 107.718 108.800 -0.543 0.000 2.430 413 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.216 413 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.216 413 G C 1.232 175.447 174.900 -1.141 0.000 1.146 413 G CA 0.411 44.827 45.100 -1.139 0.000 0.793 413 G HN 0.131 nan 8.290 nan 0.000 0.537 414 V N -0.440 118.832 119.914 -1.070 0.000 2.721 414 V HA 0.229 4.348 4.120 -0.000 0.000 0.236 414 V C 2.174 177.939 176.094 -0.548 0.000 1.116 414 V CA 0.511 62.226 62.300 -0.976 0.000 1.148 414 V CB -0.547 30.355 31.823 -1.534 0.000 0.886 414 V HN 0.185 nan 8.190 nan 0.000 0.490 415 F N 1.087 120.872 119.950 -0.275 0.000 2.234 415 F HA 0.091 4.618 4.527 -0.000 0.000 0.296 415 F C 2.171 177.896 175.800 -0.125 0.000 1.089 415 F CA 1.018 58.940 58.000 -0.131 0.000 1.343 415 F CB -0.512 38.470 39.000 -0.030 0.000 1.040 415 F HN 0.055 nan 8.300 nan 0.000 0.498 416 K N -0.636 119.772 120.400 0.014 0.000 2.393 416 K HA 0.196 4.516 4.320 -0.000 0.000 0.193 416 K C 1.724 178.269 176.600 -0.093 0.000 1.026 416 K CA 0.504 56.778 56.287 -0.020 0.000 1.064 416 K CB 0.103 32.596 32.500 -0.012 0.000 0.833 416 K HN 0.316 nan 8.250 nan 0.000 0.521 417 G N 0.661 109.351 108.800 -0.182 0.000 2.487 417 G HA2 0.038 3.998 3.960 -0.000 0.000 0.212 417 G HA3 0.038 3.998 3.960 -0.000 0.000 0.212 417 G C 1.113 175.893 174.900 -0.200 0.000 1.988 417 G CA -0.337 44.633 45.100 -0.217 0.000 0.724 417 G HN -0.029 nan 8.290 nan 0.000 0.755 418 I N 1.117 121.516 120.570 -0.285 0.000 2.194 418 I HA -0.154 4.016 4.170 -0.000 0.000 0.246 418 I C 2.494 178.529 176.117 -0.138 0.000 1.093 418 I CA 1.106 62.272 61.300 -0.224 0.000 1.355 418 I CB -0.128 37.699 38.000 -0.289 0.000 1.046 418 I HN 0.089 nan 8.210 nan 0.000 0.413 419 L N -0.160 121.002 121.223 -0.102 0.000 2.554 419 L HA -0.029 4.311 4.340 -0.000 0.000 0.226 419 L C 0.881 177.752 176.870 0.002 0.000 1.137 419 L CA 0.035 54.871 54.840 -0.006 0.000 0.863 419 L CB -0.412 41.713 42.059 0.109 0.000 0.985 419 L HN 0.265 nan 8.230 nan 0.000 0.451 420 Q N 0.655 120.439 119.800 -0.027 0.000 2.364 420 Q HA 0.151 4.491 4.340 -0.000 0.000 0.267 420 Q C 1.118 177.104 176.000 -0.023 0.000 0.999 420 Q CA 0.986 56.777 55.803 -0.020 0.000 0.886 420 Q CB 0.860 29.578 28.738 -0.032 0.000 1.243 420 Q HN 0.392 nan 8.270 nan 0.000 0.415 421 G N 1.920 110.713 108.800 -0.012 0.000 2.143 421 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 421 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 421 G C 0.209 175.102 174.900 -0.011 0.000 0.991 421 G CA 0.619 45.712 45.100 -0.013 0.000 0.689 421 G HN 0.777 nan 8.290 nan 0.000 0.522 422 T N -2.295 112.258 114.554 -0.001 0.000 2.912 422 T HA 0.608 4.958 4.350 -0.000 0.000 0.288 422 T C -0.876 173.841 174.700 0.028 0.000 1.030 422 T CA -0.682 61.419 62.100 0.003 0.000 1.020 422 T CB 2.508 71.370 68.868 -0.010 0.000 1.056 422 T HN -0.038 nan 8.240 nan 0.000 0.480 423 D N 2.113 122.530 120.400 0.029 0.000 2.393 423 D HA 0.336 4.976 4.640 -0.000 0.000 0.232 423 D C -0.195 176.153 176.300 0.081 0.000 1.192 423 D CA -0.045 53.984 54.000 0.048 0.000 0.882 423 D CB 0.581 41.403 40.800 0.037 0.000 1.038 423 D HN 0.511 nan 8.370 nan 0.000 0.499 424 I N 2.130 122.766 120.570 0.110 0.000 2.342 424 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 424 I C -0.093 176.115 176.117 0.151 0.000 1.010 424 I CA -0.558 60.844 61.300 0.170 0.000 1.308 424 I CB 1.390 39.503 38.000 0.187 0.000 1.400 424 I HN -0.057 nan 8.210 nan 0.000 0.488 425 V N 5.999 126.021 119.914 0.180 0.000 2.409 425 V HA 0.880 5.000 4.120 -0.000 0.000 0.291 425 V C 0.255 176.445 176.094 0.160 0.000 1.020 425 V CA -0.400 61.993 62.300 0.155 0.000 0.848 425 V CB 0.974 32.882 31.823 0.142 0.000 0.990 425 V HN 1.053 nan 8.190 nan 0.000 0.430 426 G N 6.268 115.136 108.800 0.113 0.000 2.576 426 G HA2 0.031 3.991 3.960 -0.000 0.000 0.686 426 G HA3 0.031 3.991 3.960 -0.000 0.000 0.686 426 G C -3.235 171.627 174.900 -0.062 0.000 1.242 426 G CA -0.880 44.250 45.100 0.050 0.000 0.819 426 G HN 0.618 nan 8.290 nan 0.000 0.655 427 P HA 0.504 nan 4.420 nan 0.000 0.275 427 P C -0.161 176.968 177.300 -0.285 0.000 1.228 427 P CA -0.335 62.664 63.100 -0.168 0.000 0.786 427 P CB 0.885 32.522 31.700 -0.105 0.000 0.927 428 L N 3.673 124.714 121.223 -0.305 0.000 2.295 428 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 428 L C 0.268 177.017 176.870 -0.202 0.000 1.018 428 L CA -0.538 54.142 54.840 -0.266 0.000 0.841 428 L CB 0.524 42.427 42.059 -0.260 0.000 1.218 428 L HN 0.224 nan 8.230 nan 0.000 0.424 429 I N 3.803 124.324 120.570 -0.081 0.000 2.377 429 I HA 0.526 4.696 4.170 -0.000 0.000 0.293 429 I C -0.477 175.731 176.117 0.152 0.000 0.987 429 I CA -0.786 60.549 61.300 0.058 0.000 1.185 429 I CB 2.109 40.171 38.000 0.104 0.000 1.341 429 I HN 0.200 nan 8.210 nan 0.000 0.455 430 V N 7.180 127.262 119.914 0.280 0.000 2.612 430 V HA 0.505 4.625 4.120 -0.000 0.000 0.301 430 V C -1.334 175.038 176.094 0.463 0.000 1.059 430 V CA -0.679 61.826 62.300 0.341 0.000 0.886 430 V CB 1.635 33.734 31.823 0.460 0.000 1.007 430 V HN 0.689 nan 8.190 nan 0.000 0.426 431 Y N 4.045 124.503 120.300 0.263 0.000 2.565 431 Y HA 0.836 5.386 4.550 -0.000 0.000 0.330 431 Y C -3.251 172.495 175.900 -0.257 0.000 1.150 431 Y CA -2.705 55.411 58.100 0.027 0.000 1.055 431 Y CB 1.897 40.321 38.460 -0.061 0.000 1.337 431 Y HN 0.417 nan 8.280 nan 0.000 0.457 432 P HA 0.418 nan 4.420 nan 0.000 0.277 432 P C -1.046 176.011 177.300 -0.404 0.000 1.240 432 P CA -0.117 62.443 63.100 -0.900 0.000 0.798 432 P CB 2.125 33.251 31.700 -0.956 0.000 0.979 433 L N 2.181 123.074 121.223 -0.549 0.000 2.354 433 L HA 0.465 4.805 4.340 -0.000 0.000 0.264 433 L C 0.257 176.792 176.870 -0.559 0.000 1.008 433 L CA -0.833 53.731 54.840 -0.459 0.000 0.819 433 L CB 1.933 43.622 42.059 -0.616 0.000 1.339 433 L HN 0.229 nan 8.230 nan 0.000 0.420 434 N N 1.647 120.217 118.700 -0.217 0.000 2.437 434 N HA 0.148 4.888 4.740 -0.000 0.000 0.259 434 N C 0.383 175.910 175.510 0.028 0.000 0.983 434 N CA -0.308 52.693 53.050 -0.083 0.000 0.937 434 N CB 2.308 40.876 38.487 0.134 0.000 1.122 434 N HN 0.576 nan 8.380 nan 0.000 0.499 435 K N 1.346 121.737 120.400 -0.015 0.000 2.152 435 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 435 K C 1.602 178.355 176.600 0.256 0.000 1.048 435 K CA 1.388 57.780 56.287 0.175 0.000 0.933 435 K CB 0.141 32.750 32.500 0.182 0.000 0.721 435 K HN 0.558 nan 8.250 nan 0.000 0.447 436 S N 0.002 115.816 115.700 0.191 0.000 2.440 436 S HA -0.131 4.338 4.470 -0.000 0.000 0.238 436 S C 1.616 176.335 174.600 0.197 0.000 1.010 436 S CA 0.933 59.238 58.200 0.174 0.000 0.972 436 S CB -0.096 63.189 63.200 0.143 0.000 0.774 436 S HN 0.215 nan 8.310 nan 0.000 0.501 437 M N -0.311 119.434 119.600 0.241 0.000 2.495 437 M HA 0.371 4.851 4.480 -0.000 0.000 0.237 437 M C -0.791 175.546 176.300 0.062 0.000 1.131 437 M CA -0.433 54.943 55.300 0.126 0.000 1.032 437 M CB -1.009 31.603 32.600 0.020 0.000 1.513 437 M HN 0.382 nan 8.290 nan 0.000 0.488 438 W N 0.470 121.791 121.300 0.035 0.000 2.551 438 W HA 0.344 5.004 4.660 -0.000 0.000 0.330 438 W C 0.090 176.640 176.519 0.051 0.000 1.063 438 W CA -0.824 56.547 57.345 0.043 0.000 1.222 438 W CB 0.612 30.107 29.460 0.058 0.000 1.349 438 W HN -0.086 nan 8.180 nan 0.000 0.536 439 D N 2.041 122.590 120.400 0.248 0.000 2.396 439 D HA 0.020 4.660 4.640 -0.000 0.000 0.225 439 D C 0.511 176.932 176.300 0.201 0.000 1.121 439 D CA 0.016 54.124 54.000 0.181 0.000 0.853 439 D CB 0.865 41.741 40.800 0.126 0.000 1.043 439 D HN 0.386 nan 8.370 nan 0.000 0.500 440 D N 1.973 122.477 120.400 0.173 0.000 2.350 440 D HA -0.014 4.626 4.640 -0.000 0.000 0.216 440 D C 1.928 178.312 176.300 0.140 0.000 0.968 440 D CA 0.744 54.834 54.000 0.150 0.000 0.894 440 D CB 0.156 41.020 40.800 0.106 0.000 0.909 440 D HN 0.612 nan 8.370 nan 0.000 0.520 441 G N -0.540 108.337 108.800 0.128 0.000 2.534 441 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.217 441 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.217 441 G C 0.791 175.763 174.900 0.119 0.000 1.128 441 G CA -0.049 45.118 45.100 0.112 0.000 0.784 441 G HN 0.213 nan 8.290 nan 0.000 0.542 442 M N 0.274 119.957 119.600 0.138 0.000 2.202 442 M HA 0.204 4.684 4.480 -0.000 0.000 0.316 442 M C 1.704 178.144 176.300 0.234 0.000 1.138 442 M CA -0.366 55.018 55.300 0.140 0.000 1.151 442 M CB 1.371 34.039 32.600 0.114 0.000 1.422 442 M HN -0.061 nan 8.290 nan 0.000 0.471 443 S N 0.910 116.786 115.700 0.293 0.000 2.419 443 S HA 0.003 4.473 4.470 -0.000 0.000 0.233 443 S C 0.830 175.777 174.600 0.578 0.000 1.016 443 S CA 0.614 59.109 58.200 0.492 0.000 0.974 443 S CB -0.349 63.255 63.200 0.673 0.000 0.786 443 S HN 0.785 nan 8.310 nan 0.000 0.492 444 A N 1.390 124.492 122.820 0.470 0.000 2.540 444 A HA 0.509 4.829 4.320 -0.000 0.000 0.239 444 A C 0.308 178.091 177.584 0.332 0.000 1.061 444 A CA 0.146 52.467 52.037 0.473 0.000 0.758 444 A CB -0.049 19.266 19.000 0.526 0.000 0.991 444 A HN 0.444 nan 8.150 nan 0.000 0.502 445 A N 2.947 125.884 122.820 0.195 0.000 2.288 445 A HA 0.736 5.056 4.320 -0.000 0.000 0.320 445 A C 0.416 177.841 177.584 -0.265 0.000 1.217 445 A CA 0.177 52.158 52.037 -0.093 0.000 0.840 445 A CB 0.488 19.209 19.000 -0.465 0.000 1.179 445 A HN 1.560 nan 8.150 nan 0.000 0.504 446 T N 0.419 114.710 114.554 -0.439 0.000 2.916 446 T HA 0.784 5.133 4.350 -0.000 0.000 0.292 446 T C -3.045 171.235 174.700 -0.699 0.000 1.064 446 T CA -2.063 59.514 62.100 -0.873 0.000 1.011 446 T CB 1.322 69.341 68.868 -1.415 0.000 1.152 446 T HN 0.311 nan 8.240 nan 0.000 0.510 447 P HA 0.156 nan 4.420 nan 0.000 0.271 447 P C 0.990 178.091 177.300 -0.331 0.000 1.233 447 P CA -0.388 62.426 63.100 -0.476 0.000 0.789 447 P CB 0.413 31.878 31.700 -0.393 0.000 0.951 448 S N -1.054 114.549 115.700 -0.162 0.000 2.461 448 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 448 S C 0.537 175.128 174.600 -0.016 0.000 1.005 448 S CA 0.380 58.531 58.200 -0.081 0.000 0.942 448 S CB -0.591 62.576 63.200 -0.054 0.000 0.776 448 S HN 0.443 nan 8.310 nan 0.000 0.514 449 E N 1.363 121.574 120.200 0.019 0.000 2.390 449 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 449 E C 0.097 176.767 176.600 0.116 0.000 1.076 449 E CA -0.296 56.146 56.400 0.071 0.000 0.905 449 E CB 0.448 30.202 29.700 0.090 0.000 0.984 449 E HN 0.153 nan 8.360 nan 0.000 0.427 450 D N 0.375 120.822 120.400 0.078 0.000 2.182 450 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 450 D C 0.128 176.444 176.300 0.027 0.000 0.986 450 D CA 1.029 55.066 54.000 0.063 0.000 0.847 450 D CB 0.250 41.075 40.800 0.041 0.000 0.942 450 D HN 0.021 nan 8.370 nan 0.000 0.467 451 V N 1.061 120.988 119.914 0.022 0.000 2.540 451 V HA 0.432 4.552 4.120 -0.000 0.000 0.302 451 V C -0.511 175.594 176.094 0.019 0.000 1.035 451 V CA -0.932 61.309 62.300 -0.098 0.000 0.873 451 V CB 1.633 33.402 31.823 -0.090 0.000 0.992 451 V HN 0.001 nan 8.190 nan 0.000 0.428 452 F N 2.591 122.474 119.950 -0.111 0.000 2.613 452 F HA 0.818 5.345 4.527 -0.000 0.000 0.314 452 F C -1.559 174.196 175.800 -0.075 0.000 1.075 452 F CA -1.506 56.473 58.000 -0.034 0.000 0.945 452 F CB 1.363 40.296 39.000 -0.111 0.000 1.310 452 F HN 0.313 nan 8.300 nan 0.000 0.467 453 Y N 1.604 121.991 120.300 0.145 0.000 2.330 453 Y HA 0.653 5.203 4.550 -0.000 0.000 0.336 453 Y C 0.382 176.342 175.900 0.099 0.000 1.036 453 Y CA -1.030 57.081 58.100 0.019 0.000 1.125 453 Y CB 1.790 40.250 38.460 0.000 0.000 1.194 453 Y HN 0.982 nan 8.280 nan 0.000 0.469 454 A N 3.462 126.279 122.820 -0.005 0.000 2.451 454 A HA 0.527 4.847 4.320 -0.000 0.000 0.266 454 A C -0.807 176.677 177.584 -0.168 0.000 1.119 454 A CA -0.342 51.627 52.037 -0.114 0.000 0.786 454 A CB -0.253 18.413 19.000 -0.556 0.000 1.061 454 A HN 0.533 nan 8.150 nan 0.000 0.503 455 V N 3.201 123.043 119.914 -0.120 0.000 2.376 455 V HA 0.409 4.529 4.120 -0.000 0.000 0.287 455 V C 0.020 176.070 176.094 -0.072 0.000 1.015 455 V CA -0.268 61.984 62.300 -0.079 0.000 0.834 455 V CB 1.467 33.154 31.823 -0.227 0.000 1.001 455 V HN 0.823 nan 8.190 nan 0.000 0.428 456 S N 6.297 121.972 115.700 -0.042 0.000 2.669 456 S HA 0.590 5.060 4.470 -0.000 0.000 0.315 456 S C -0.417 174.067 174.600 -0.194 0.000 1.106 456 S CA -0.454 57.684 58.200 -0.103 0.000 1.107 456 S CB 0.750 63.892 63.200 -0.097 0.000 0.990 456 S HN 0.556 nan 8.310 nan 0.000 0.471 457 L N 4.508 125.588 121.223 -0.238 0.000 2.287 457 L HA 0.430 4.770 4.340 -0.000 0.000 0.280 457 L C -0.353 176.042 176.870 -0.792 0.000 1.055 457 L CA -0.306 54.227 54.840 -0.511 0.000 0.863 457 L CB 0.239 42.072 42.059 -0.376 0.000 1.245 457 L HN 0.474 nan 8.230 nan 0.000 0.432 458 L N 3.894 124.599 121.223 -0.863 0.000 2.598 458 L HA 0.309 4.649 4.340 -0.000 0.000 0.241 458 L C -0.311 176.301 176.870 -0.431 0.000 1.244 458 L CA -0.377 53.794 54.840 -1.117 0.000 1.198 458 L CB -0.627 40.625 42.059 -1.346 0.000 1.448 458 L HN 0.388 nan 8.230 nan 0.000 0.406 459 F N 0.041 120.057 119.950 0.109 0.000 2.538 459 F HA 0.088 4.614 4.527 -0.000 0.000 0.371 459 F C 1.180 177.190 175.800 0.350 0.000 1.087 459 F CA 0.405 58.529 58.000 0.206 0.000 1.250 459 F CB 0.515 39.608 39.000 0.154 0.000 1.110 459 F HN 0.162 nan 8.300 nan 0.000 0.570 460 S N 1.851 117.794 115.700 0.405 0.000 2.475 460 S HA 0.445 4.915 4.470 -0.000 0.000 0.298 460 S C -0.045 174.619 174.600 0.106 0.000 1.119 460 S CA -0.706 57.636 58.200 0.236 0.000 1.085 460 S CB 1.733 65.058 63.200 0.208 0.000 1.028 460 S HN 0.655 nan 8.310 nan 0.000 0.489 466 D N 1.455 121.828 120.400 -0.044 0.000 2.117 466 D HA -0.042 4.597 4.640 -0.000 0.000 0.198 466 D C 1.992 178.254 176.300 -0.063 0.000 0.982 466 D CA 0.757 54.727 54.000 -0.050 0.000 0.828 466 D CB 0.160 40.936 40.800 -0.039 0.000 0.967 466 D HN 0.174 nan 8.370 nan 0.000 0.464 467 L N 0.540 121.726 121.223 -0.062 0.000 2.017 467 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 467 L C 2.134 178.963 176.870 -0.067 0.000 1.073 467 L CA 2.172 56.972 54.840 -0.068 0.000 0.745 467 L CB -1.071 40.946 42.059 -0.070 0.000 0.894 467 L HN 0.054 nan 8.230 nan 0.000 0.432 468 A N -0.386 122.398 122.820 -0.060 0.000 1.908 468 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 468 A C 2.559 180.102 177.584 -0.069 0.000 1.181 468 A CA 1.878 53.881 52.037 -0.057 0.000 0.627 468 A CB -0.705 18.267 19.000 -0.047 0.000 0.818 468 A HN 0.533 nan 8.150 nan 0.000 0.445 469 R N -0.386 120.068 120.500 -0.076 0.000 2.073 469 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 469 R C 1.983 178.203 176.300 -0.134 0.000 1.134 469 R CA 1.661 57.705 56.100 -0.093 0.000 0.952 469 R CB -0.395 29.853 30.300 -0.087 0.000 0.850 469 R HN 0.525 nan 8.270 nan 0.000 0.433 470 L N 0.429 121.560 121.223 -0.153 0.000 2.093 470 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 470 L C 2.641 179.401 176.870 -0.184 0.000 1.085 470 L CA 1.392 56.090 54.840 -0.237 0.000 0.755 470 L CB -0.323 41.609 42.059 -0.213 0.000 0.904 470 L HN 0.311 nan 8.230 nan 0.000 0.435 471 Q N -0.463 119.273 119.800 -0.107 0.000 2.079 471 Q HA -0.257 4.083 4.340 -0.000 0.000 0.200 471 Q C 2.094 178.050 176.000 -0.073 0.000 0.974 471 Q CA 1.593 57.354 55.803 -0.070 0.000 0.840 471 Q CB -0.034 28.675 28.738 -0.050 0.000 0.898 471 Q HN 0.308 nan 8.270 nan 0.000 0.430 472 E N 1.121 121.272 120.200 -0.081 0.000 2.077 472 E HA -0.243 4.106 4.350 -0.000 0.000 0.193 472 E C 1.874 178.420 176.600 -0.091 0.000 0.989 472 E CA 1.489 57.844 56.400 -0.074 0.000 0.800 472 E CB -0.063 29.595 29.700 -0.070 0.000 0.746 472 E HN 0.321 nan 8.360 nan 0.000 0.452 473 Q N -0.240 119.480 119.800 -0.134 0.000 2.084 473 Q HA -0.187 4.152 4.340 -0.000 0.000 0.202 473 Q C 1.679 177.598 176.000 -0.134 0.000 0.978 473 Q CA 1.728 57.431 55.803 -0.165 0.000 0.844 473 Q CB -0.116 28.462 28.738 -0.268 0.000 0.898 473 Q HN 0.256 nan 8.270 nan 0.000 0.426 474 N N 0.361 118.992 118.700 -0.115 0.000 2.120 474 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 474 N C 1.657 177.152 175.510 -0.026 0.000 1.024 474 N CA 1.148 54.176 53.050 -0.036 0.000 0.852 474 N CB -0.224 38.269 38.487 0.011 0.000 1.003 474 N HN 0.245 nan 8.380 nan 0.000 0.424 475 R N 0.618 121.097 120.500 -0.034 0.000 2.091 475 R HA -0.035 4.305 4.340 -0.000 0.000 0.238 475 R C 2.273 178.560 176.300 -0.022 0.000 1.136 475 R CA 1.056 57.143 56.100 -0.022 0.000 0.959 475 R CB -0.143 30.142 30.300 -0.025 0.000 0.856 475 R HN 0.213 nan 8.270 nan 0.000 0.437 476 R N 0.848 121.324 120.500 -0.040 0.000 2.081 476 R HA -0.095 4.244 4.340 -0.000 0.000 0.235 476 R C 2.124 178.409 176.300 -0.024 0.000 1.131 476 R CA 1.364 57.441 56.100 -0.038 0.000 0.960 476 R CB -0.187 30.072 30.300 -0.068 0.000 0.856 476 R HN 0.165 nan 8.270 nan 0.000 0.436 477 I N 0.688 121.226 120.570 -0.054 0.000 2.226 477 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 477 I C 2.135 178.258 176.117 0.010 0.000 1.100 477 I CA 1.213 62.477 61.300 -0.061 0.000 1.374 477 I CB -0.183 37.767 38.000 -0.084 0.000 1.057 477 I HN 0.233 nan 8.210 nan 0.000 0.413 478 L N -0.017 121.195 121.223 -0.018 0.000 2.093 478 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 478 L C 2.779 179.665 176.870 0.028 0.000 1.085 478 L CA 1.262 56.081 54.840 -0.035 0.000 0.755 478 L CB -0.537 41.520 42.059 -0.003 0.000 0.904 478 L HN 0.175 nan 8.230 nan 0.000 0.435 479 R N -0.616 119.905 120.500 0.034 0.000 2.081 479 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 479 R C 2.316 178.638 176.300 0.037 0.000 1.131 479 R CA 1.789 57.908 56.100 0.033 0.000 0.960 479 R CB -0.520 29.794 30.300 0.022 0.000 0.856 479 R HN 0.242 nan 8.270 nan 0.000 0.436 480 F N 1.010 120.913 119.950 -0.078 0.000 2.095 480 F HA -0.296 4.231 4.527 -0.000 0.000 0.298 480 F C 2.202 177.966 175.800 -0.059 0.000 1.104 480 F CA 1.374 59.317 58.000 -0.096 0.000 1.232 480 F CB -0.567 38.330 39.000 -0.171 0.000 0.987 480 F HN -0.039 nan 8.300 nan 0.000 0.475 481 C N 0.971 120.135 119.300 -0.226 0.000 2.429 481 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 481 C C 2.507 177.444 174.990 -0.089 0.000 1.262 481 C CA 1.268 60.152 59.018 -0.223 0.000 1.733 481 C CB -1.175 26.538 27.740 -0.045 0.000 2.010 481 C HN 0.538 nan 8.230 nan 0.000 0.483 482 D N 0.483 120.890 120.400 0.011 0.000 2.117 482 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 482 D C 1.935 178.191 176.300 -0.072 0.000 0.982 482 D CA 0.943 54.955 54.000 0.020 0.000 0.828 482 D CB -0.483 40.342 40.800 0.041 0.000 0.967 482 D HN 0.325 nan 8.370 nan 0.000 0.464 483 L N 0.601 121.753 121.223 -0.118 0.000 2.141 483 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 483 L C 2.081 178.844 176.870 -0.178 0.000 1.094 483 L CA 1.024 55.790 54.840 -0.124 0.000 0.763 483 L CB -0.198 41.802 42.059 -0.097 0.000 0.908 483 L HN -0.067 nan 8.230 nan 0.000 0.437 484 A N -1.113 121.515 122.820 -0.319 0.000 2.206 484 A HA 0.283 4.603 4.320 -0.000 0.000 0.211 484 A C 1.663 179.139 177.584 -0.180 0.000 1.158 484 A CA 0.639 52.481 52.037 -0.325 0.000 0.761 484 A CB -0.781 17.835 19.000 -0.640 0.000 0.801 484 A HN 0.578 nan 8.150 nan 0.000 0.473 485 G N -0.527 108.194 108.800 -0.132 0.000 2.176 485 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 485 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 485 G C 0.036 174.909 174.900 -0.045 0.000 1.024 485 G CA 0.290 45.345 45.100 -0.075 0.000 0.755 485 G HN 0.503 nan 8.290 nan 0.000 0.507 486 I N 0.664 121.223 120.570 -0.018 0.000 2.452 486 I HA 0.111 4.281 4.170 -0.000 0.000 0.287 486 I C 0.716 176.890 176.117 0.094 0.000 1.079 486 I CA -0.190 61.148 61.300 0.064 0.000 1.387 486 I CB 0.968 39.041 38.000 0.122 0.000 1.404 486 I HN 0.017 nan 8.210 nan 0.000 0.522 487 Q N 7.428 127.237 119.800 0.016 0.000 3.181 487 Q HA 0.106 4.446 4.340 -0.000 0.000 0.293 487 Q C -0.637 175.315 176.000 -0.080 0.000 1.406 487 Q CA -0.190 55.559 55.803 -0.089 0.000 1.026 487 Q CB -0.632 28.052 28.738 -0.090 0.000 1.630 487 Q HN 0.529 nan 8.270 nan 0.000 0.553 488 Y N -1.094 119.178 120.300 -0.046 0.000 2.298 488 Y HA 0.521 5.071 4.550 -0.000 0.000 0.329 488 Y C 0.054 175.919 175.900 -0.059 0.000 1.293 488 Y CA -0.894 57.182 58.100 -0.040 0.000 1.388 488 Y CB 0.879 39.334 38.460 -0.008 0.000 1.309 488 Y HN -0.181 nan 8.280 nan 0.000 0.544 489 K N 1.815 122.281 120.400 0.111 0.000 2.324 489 K HA 0.283 4.603 4.320 -0.000 0.000 0.253 489 K C -0.568 176.191 176.600 0.266 0.000 0.932 489 K CA -0.586 55.742 56.287 0.069 0.000 0.799 489 K CB 1.873 34.341 32.500 -0.054 0.000 1.154 489 K HN 0.980 nan 8.250 nan 0.000 0.425 490 T N -0.778 113.981 114.554 0.342 0.000 2.868 490 T HA 0.308 4.658 4.350 -0.000 0.000 0.292 490 T C -0.326 174.508 174.700 0.223 0.000 1.028 490 T CA -0.278 61.960 62.100 0.230 0.000 1.059 490 T CB 0.563 69.523 68.868 0.153 0.000 0.991 490 T HN 0.443 nan 8.240 nan 0.000 0.531 491 Y N 1.868 122.105 120.300 -0.105 0.000 2.442 491 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 491 Y C 0.416 176.309 175.900 -0.011 0.000 0.976 491 Y CA -2.155 55.899 58.100 -0.077 0.000 1.040 491 Y CB 0.909 39.125 38.460 -0.407 0.000 1.228 491 Y HN 0.796 nan 8.280 nan 0.000 0.451 492 L N 2.483 123.442 121.223 -0.441 0.000 4.884 492 L HA -0.279 4.060 4.340 -0.000 0.000 0.430 492 L C 0.079 176.854 176.870 -0.157 0.000 1.087 492 L CA 0.975 55.602 54.840 -0.355 0.000 1.033 492 L CB -1.762 40.064 42.059 -0.387 0.000 2.030 492 L HN 0.687 nan 8.230 nan 0.000 0.762 493 A N 0.591 123.312 122.820 -0.165 0.000 2.325 493 A HA 0.801 5.121 4.320 -0.000 0.000 0.333 493 A C 0.277 177.664 177.584 -0.328 0.000 1.155 493 A CA -0.426 51.467 52.037 -0.240 0.000 0.814 493 A CB 0.974 19.791 19.000 -0.305 0.000 1.206 493 A HN 0.331 nan 8.150 nan 0.000 0.482 494 R N 1.115 121.451 120.500 -0.273 0.000 2.460 494 R HA 0.665 5.005 4.340 -0.000 0.000 0.303 494 R C -0.972 175.044 176.300 -0.473 0.000 0.968 494 R CA -0.383 55.625 56.100 -0.153 0.000 0.889 494 R CB 0.418 30.799 30.300 0.135 0.000 1.123 494 R HN 0.772 nan 8.270 nan 0.000 0.455 495 H N -0.025 118.705 119.070 -0.567 0.000 2.508 495 H HA 0.311 4.866 4.556 -0.000 0.000 0.344 495 H C 0.404 175.641 175.328 -0.150 0.000 1.192 495 H CA -0.028 55.619 56.048 -0.667 0.000 1.290 495 H CB 1.942 30.845 29.762 -1.432 0.000 1.571 495 H HN 0.900 nan 8.280 nan 0.000 0.555 496 T N -2.691 111.878 114.554 0.025 0.000 3.040 496 T HA 0.141 4.491 4.350 -0.000 0.000 0.266 496 T C -0.252 174.512 174.700 0.106 0.000 1.005 496 T CA -0.306 61.854 62.100 0.100 0.000 0.906 496 T CB -0.183 68.715 68.868 0.050 0.000 1.082 496 T HN 0.677 nan 8.240 nan 0.000 0.531 497 D N -0.610 119.835 120.400 0.076 0.000 2.570 497 D HA 0.364 5.003 4.640 -0.000 0.000 0.244 497 D C 0.915 177.258 176.300 0.072 0.000 1.178 497 D CA -1.171 52.870 54.000 0.069 0.000 0.881 497 D CB 1.452 42.258 40.800 0.010 0.000 1.453 497 D HN -0.148 nan 8.370 nan 0.000 0.447 498 R N 0.247 120.771 120.500 0.039 0.000 2.083 498 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 498 R C 1.682 177.873 176.300 -0.181 0.000 1.137 498 R CA 2.391 58.464 56.100 -0.044 0.000 0.951 498 R CB -0.434 29.839 30.300 -0.044 0.000 0.851 498 R HN 0.620 nan 8.270 nan 0.000 0.434 499 S N 0.581 116.188 115.700 -0.155 0.000 2.370 499 S HA -0.154 4.315 4.470 -0.000 0.000 0.226 499 S C 1.432 175.884 174.600 -0.247 0.000 1.033 499 S CA 1.516 59.598 58.200 -0.196 0.000 1.011 499 S CB -0.384 62.733 63.200 -0.138 0.000 0.852 499 S HN 0.348 nan 8.310 nan 0.000 0.457 500 D N 0.658 120.895 120.400 -0.271 0.000 2.117 500 D HA -0.035 4.605 4.640 -0.000 0.000 0.198 500 D C 1.480 177.423 176.300 -0.595 0.000 0.982 500 D CA 0.946 54.659 54.000 -0.477 0.000 0.828 500 D CB -0.448 40.032 40.800 -0.533 0.000 0.967 500 D HN 0.620 nan 8.370 nan 0.000 0.464 501 W N 0.679 121.773 121.300 -0.343 0.000 2.388 501 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 501 W C 2.381 178.774 176.519 -0.210 0.000 1.212 501 W CA 0.214 57.431 57.345 -0.214 0.000 1.271 501 W CB -0.218 29.199 29.460 -0.072 0.000 1.126 501 W HN -0.203 nan 8.180 nan 0.000 0.535 502 V N 0.435 120.157 119.914 -0.319 0.000 2.358 502 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 502 V C 2.270 178.289 176.094 -0.125 0.000 1.047 502 V CA 2.066 64.097 62.300 -0.449 0.000 1.035 502 V CB -0.801 30.600 31.823 -0.704 0.000 0.658 502 V HN 0.155 nan 8.190 nan 0.000 0.452 503 R N -0.842 119.548 120.500 -0.183 0.000 2.081 503 R HA -0.206 4.134 4.340 -0.000 0.000 0.235 503 R C 2.508 178.710 176.300 -0.164 0.000 1.131 503 R CA 1.706 57.698 56.100 -0.180 0.000 0.960 503 R CB -0.490 29.659 30.300 -0.252 0.000 0.856 503 R HN 0.688 nan 8.270 nan 0.000 0.436 504 H N -0.585 118.310 119.070 -0.291 0.000 2.290 504 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 504 H C 1.475 176.664 175.328 -0.232 0.000 1.087 504 H CA 2.289 58.144 56.048 -0.322 0.000 1.291 504 H CB -0.081 29.438 29.762 -0.406 0.000 1.369 504 H HN 0.225 nan 8.280 nan 0.000 0.492 505 F N 0.199 120.219 119.950 0.116 0.000 2.335 505 F HA 0.183 4.710 4.527 -0.000 0.000 0.296 505 F C 1.695 177.527 175.800 0.054 0.000 1.091 505 F CA 1.031 59.093 58.000 0.103 0.000 1.399 505 F CB -0.199 38.972 39.000 0.285 0.000 1.067 505 F HN 0.430 nan 8.300 nan 0.000 0.520 506 G N -0.247 108.671 108.800 0.198 0.000 2.712 506 G HA2 0.049 4.009 3.960 -0.000 0.000 0.686 506 G HA3 0.049 4.009 3.960 -0.000 0.000 0.686 506 G C 0.723 175.753 174.900 0.217 0.000 1.321 506 G CA -0.519 44.657 45.100 0.127 0.000 0.813 506 G HN 0.498 nan 8.290 nan 0.000 0.599 507 A N 0.883 123.792 122.820 0.148 0.000 1.883 507 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 507 A C 2.997 180.725 177.584 0.239 0.000 1.186 507 A CA 3.778 55.928 52.037 0.190 0.000 0.624 507 A CB -0.986 18.082 19.000 0.115 0.000 0.822 507 A HN 2.552 nan 8.150 nan 0.000 0.444 508 A N -0.579 122.344 122.820 0.172 0.000 1.877 508 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 508 A C 2.149 179.834 177.584 0.169 0.000 1.186 508 A CA 1.830 53.956 52.037 0.147 0.000 0.620 508 A CB -0.429 18.634 19.000 0.105 0.000 0.822 508 A HN 0.536 nan 8.150 nan 0.000 0.443 509 K N -1.301 119.224 120.400 0.207 0.000 2.097 509 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 509 K C 1.957 178.684 176.600 0.212 0.000 1.050 509 K CA 1.126 57.545 56.287 0.220 0.000 0.938 509 K CB -0.253 32.419 32.500 0.288 0.000 0.718 509 K HN 0.813 nan 8.250 nan 0.000 0.442 510 W N 2.687 124.058 121.300 0.120 0.000 2.355 510 W HA -0.227 4.432 4.660 -0.000 0.000 0.309 510 W C 1.560 178.159 176.519 0.133 0.000 1.206 510 W CA 1.407 58.799 57.345 0.078 0.000 1.284 510 W CB -0.435 29.116 29.460 0.151 0.000 1.145 510 W HN 0.146 nan 8.180 nan 0.000 0.502 511 N N 1.076 119.852 118.700 0.127 0.000 2.149 511 N HA -0.248 4.492 4.740 -0.000 0.000 0.188 511 N C 1.896 177.370 175.510 -0.060 0.000 1.019 511 N CA 1.701 54.757 53.050 0.011 0.000 0.857 511 N CB -0.299 38.263 38.487 0.124 0.000 0.997 511 N HN 0.049 nan 8.380 nan 0.000 0.426 512 R N 0.342 120.838 120.500 -0.007 0.000 2.075 512 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 512 R C 2.042 178.298 176.300 -0.075 0.000 1.126 512 R CA 1.092 57.175 56.100 -0.027 0.000 0.963 512 R CB -1.240 29.071 30.300 0.020 0.000 0.858 512 R HN 0.216 nan 8.270 nan 0.000 0.435 513 F N -0.095 119.702 119.950 -0.256 0.000 2.095 513 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 513 F C 2.007 177.697 175.800 -0.184 0.000 1.104 513 F CA 1.727 59.574 58.000 -0.255 0.000 1.232 513 F CB -0.288 38.383 39.000 -0.548 0.000 0.987 513 F HN -0.130 nan 8.300 nan 0.000 0.475 514 V N -0.012 119.765 119.914 -0.228 0.000 2.343 514 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 514 V C 2.349 178.333 176.094 -0.184 0.000 1.051 514 V CA 2.196 64.367 62.300 -0.214 0.000 1.036 514 V CB -0.711 30.940 31.823 -0.286 0.000 0.654 514 V HN 0.386 nan 8.190 nan 0.000 0.451 515 E N -0.323 119.782 120.200 -0.158 0.000 2.085 515 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 515 E C 2.272 178.765 176.600 -0.178 0.000 0.994 515 E CA 1.451 57.767 56.400 -0.140 0.000 0.801 515 E CB -0.047 29.589 29.700 -0.107 0.000 0.743 515 E HN 0.380 nan 8.360 nan 0.000 0.453 516 M N 0.428 119.893 119.600 -0.225 0.000 2.229 516 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 516 M C 2.196 178.437 176.300 -0.099 0.000 1.063 516 M CA 1.164 56.298 55.300 -0.276 0.000 1.114 516 M CB -0.654 31.527 32.600 -0.697 0.000 1.387 516 M HN -0.065 nan 8.290 nan 0.000 0.420 517 K N 1.051 121.420 120.400 -0.053 0.000 2.057 517 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 517 K C 1.639 178.111 176.600 -0.214 0.000 1.049 517 K CA 1.334 57.535 56.287 -0.144 0.000 0.931 517 K CB -0.178 31.904 32.500 -0.697 0.000 0.714 517 K HN 0.217 nan 8.250 nan 0.000 0.440 518 N N 0.589 119.159 118.700 -0.217 0.000 2.166 518 N HA -0.160 4.579 4.740 -0.000 0.000 0.186 518 N C 1.538 176.957 175.510 -0.151 0.000 1.019 518 N CA 1.114 54.061 53.050 -0.172 0.000 0.856 518 N CB -0.084 38.321 38.487 -0.137 0.000 0.993 518 N HN 0.290 nan 8.380 nan 0.000 0.426 519 K N -0.569 119.699 120.400 -0.220 0.000 2.103 519 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 519 K C 0.906 177.281 176.600 -0.375 0.000 1.052 519 K CA 1.060 57.117 56.287 -0.384 0.000 0.945 519 K CB 0.107 32.206 32.500 -0.668 0.000 0.722 519 K HN 0.128 nan 8.250 nan 0.000 0.443 520 Y N -1.162 119.141 120.300 0.005 0.000 2.483 520 Y HA 0.184 4.734 4.550 -0.000 0.000 0.258 520 Y C -0.034 175.795 175.900 -0.119 0.000 1.083 520 Y CA -0.315 57.801 58.100 0.027 0.000 1.283 520 Y CB 0.907 39.398 38.460 0.052 0.000 1.178 520 Y HN 0.008 nan 8.280 nan 0.000 0.515 521 D N -0.035 120.332 120.400 -0.055 0.000 2.968 521 D HA 0.189 4.829 4.640 -0.000 0.000 0.301 521 D C -2.319 173.843 176.300 -0.230 0.000 1.226 521 D CA -1.873 52.020 54.000 -0.178 0.000 0.746 521 D CB 0.793 41.515 40.800 -0.129 0.000 1.278 521 D HN -0.078 nan 8.370 nan 0.000 0.544 522 P HA -0.112 nan 4.420 nan 0.000 0.221 522 P C 0.979 178.198 177.300 -0.135 0.000 1.150 522 P CA 0.656 63.650 63.100 -0.176 0.000 0.800 522 P CB 0.396 32.025 31.700 -0.119 0.000 0.787 523 K N -0.539 119.783 120.400 -0.130 0.000 2.432 523 K HA 0.033 4.353 4.320 -0.000 0.000 0.196 523 K C 0.212 176.789 176.600 -0.039 0.000 1.038 523 K CA -0.024 56.228 56.287 -0.060 0.000 0.986 523 K CB -0.174 32.304 32.500 -0.037 0.000 0.782 523 K HN -0.115 nan 8.250 nan 0.000 0.485 524 R N 0.301 120.746 120.500 -0.093 0.000 3.209 524 R HA -0.162 4.177 4.340 -0.000 0.000 0.252 524 R C 0.365 176.667 176.300 0.004 0.000 0.958 524 R CA 0.153 56.211 56.100 -0.070 0.000 0.651 524 R CB -2.173 28.116 30.300 -0.018 0.000 1.142 524 R HN 0.216 nan 8.270 nan 0.000 0.441 525 L N -0.852 120.368 121.223 -0.004 0.000 2.470 525 L HA 0.199 4.539 4.340 -0.000 0.000 0.219 525 L C 0.813 177.688 176.870 0.009 0.000 1.071 525 L CA 0.138 55.005 54.840 0.046 0.000 0.850 525 L CB 0.070 42.174 42.059 0.075 0.000 1.040 525 L HN 0.172 nan 8.230 nan 0.000 0.475 526 L N 0.367 121.575 121.223 -0.025 0.000 2.331 526 L HA 0.189 4.529 4.340 -0.000 0.000 0.278 526 L C 0.497 177.339 176.870 -0.047 0.000 1.106 526 L CA -0.335 54.476 54.840 -0.048 0.000 0.824 526 L CB 1.072 43.151 42.059 0.033 0.000 1.142 526 L HN 0.100 nan 8.230 nan 0.000 0.443 527 S N 2.344 117.982 115.700 -0.104 0.000 3.405 527 S HA -0.094 4.376 4.470 -0.000 0.000 0.373 527 S C -1.391 173.212 174.600 0.005 0.000 0.939 527 S CA 0.190 58.362 58.200 -0.047 0.000 1.295 527 S CB -0.865 62.348 63.200 0.022 0.000 0.919 527 S HN 0.685 nan 8.310 nan 0.000 0.535 528 P HA -0.011 nan 4.420 nan 0.000 0.226 528 P C 1.624 178.968 177.300 0.074 0.000 1.153 528 P CA 1.258 64.394 63.100 0.060 0.000 0.777 528 P CB -0.249 31.491 31.700 0.067 0.000 0.794 529 G N 0.351 109.187 108.800 0.061 0.000 2.559 529 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 529 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 529 G C 1.544 176.481 174.900 0.063 0.000 1.126 529 G CA 0.218 45.352 45.100 0.057 0.000 0.778 529 G HN 0.228 nan 8.290 nan 0.000 0.543 530 Q N 0.309 120.152 119.800 0.071 0.000 2.297 530 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 530 Q C 0.527 176.650 176.000 0.205 0.000 0.962 530 Q CA 0.774 56.647 55.803 0.117 0.000 0.879 530 Q CB 0.070 28.818 28.738 0.016 0.000 0.947 530 Q HN 0.422 nan 8.270 nan 0.000 0.462 531 D N -0.818 119.671 120.400 0.149 0.000 2.837 531 D HA -0.203 4.436 4.640 -0.000 0.000 0.230 531 D C 0.619 177.020 176.300 0.168 0.000 1.152 531 D CA 0.537 54.658 54.000 0.201 0.000 0.736 531 D CB -1.382 39.579 40.800 0.268 0.000 1.084 531 D HN 0.360 nan 8.370 nan 0.000 0.429 532 I N -1.541 118.929 120.570 -0.166 0.000 2.512 532 I HA -0.067 4.103 4.170 -0.000 0.000 0.247 532 I C 1.543 177.402 176.117 -0.431 0.000 1.094 532 I CA 0.694 61.640 61.300 -0.590 0.000 1.427 532 I CB -0.073 37.361 38.000 -0.942 0.000 1.149 532 I HN -0.099 nan 8.210 nan 0.000 0.438 533 F N 0.537 120.517 119.950 0.049 0.000 2.683 533 F HA 0.289 4.816 4.527 -0.000 0.000 0.306 533 F C 0.101 175.943 175.800 0.069 0.000 1.102 533 F CA -0.469 57.578 58.000 0.078 0.000 1.244 533 F CB -0.264 38.752 39.000 0.026 0.000 1.029 533 F HN -0.003 nan 8.300 nan 0.000 0.545 534 N N 0.000 118.810 118.700 0.184 0.000 1.763 534 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 534 N CA 0.000 53.137 53.050 0.144 0.000 0.885 534 N CB 0.000 38.562 38.487 0.125 0.000 1.341 534 N HN 0.000 nan 8.380 nan 0.000 0.667