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 2rjt_1_C DATA FIRST_RESID 2 DATA SEQUENCE KLNRVVVTGY GVTSPIGNTP AEFWNSLATG KIGIGGITKF DHSDFDVHNA DATA SEQUENCE AEIQDFPFDK YFVKKDTNRF DNYSLYALYA AQEAVNHANL DVAALNRDRF DATA SEQUENCE GVIVASGIGG IKEIEDQVLR LHEKGPKRVK PMTLPKALPN MASGNVAMRF DATA SEQUENCE GANGVCKSIN TACSSSNDAI GDAFRSIKFG FQDVMLVGGT EASITPFAIA DATA SEQUENCE GFQALTALST TEDPTRASIP FDKDRNGFVM GEGSGMLVLE SLEHAEKRGA DATA SEQUENCE TILAEVVGYG NTCDAYHMTS PHPEGQGAIK AIKLALEEAE ISPEQVAYVN DATA SEQUENCE AHGTSTPANE KGESGAIVAV LGKAVPVSST KSFTGHLLGA AGAVEAIVTI DATA SEQUENCE EAMRHNFVPM TAGTSEVSDY IEANVVYGQG LAKEIPYAIS NTFGFGGHNA DATA SEQUENCE VLAFKRWA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.519 176.600 -0.135 0.000 0.988 2 K CA 0.000 56.243 56.287 -0.073 0.000 0.838 2 K CB 0.000 32.465 32.500 -0.059 0.000 1.064 3 L N 2.140 123.264 121.223 -0.164 0.000 2.331 3 L HA 0.479 4.819 4.340 -0.000 0.000 0.275 3 L C -0.113 176.653 176.870 -0.173 0.000 1.022 3 L CA -1.036 53.644 54.840 -0.266 0.000 0.812 3 L CB 1.401 43.258 42.059 -0.338 0.000 1.257 3 L HN 0.499 nan 8.230 nan 0.000 0.435 4 N N 0.737 119.325 118.700 -0.187 0.000 2.417 4 N HA 0.487 5.227 4.740 -0.000 0.000 0.300 4 N C -0.930 174.551 175.510 -0.047 0.000 1.102 4 N CA -0.866 52.131 53.050 -0.089 0.000 0.886 4 N CB 1.455 39.901 38.487 -0.069 0.000 1.203 4 N HN 0.413 nan 8.380 nan 0.000 0.496 5 R N 0.457 120.970 120.500 0.023 0.000 2.531 5 R HA 0.550 4.890 4.340 -0.000 0.000 0.273 5 R C -0.846 175.515 176.300 0.101 0.000 1.070 5 R CA -0.609 55.546 56.100 0.093 0.000 1.112 5 R CB 0.851 31.227 30.300 0.126 0.000 1.049 5 R HN 0.240 nan 8.270 nan 0.000 0.508 6 V N 3.285 123.304 119.914 0.175 0.000 2.540 6 V HA 0.422 4.542 4.120 -0.000 0.000 0.302 6 V C -0.279 175.883 176.094 0.113 0.000 1.035 6 V CA -0.743 61.656 62.300 0.166 0.000 0.873 6 V CB 1.721 33.750 31.823 0.343 0.000 0.992 6 V HN 0.607 nan 8.190 nan 0.000 0.428 7 V N 2.567 122.493 119.914 0.021 0.000 3.001 7 V HA 0.796 4.916 4.120 -0.000 0.000 0.314 7 V C -0.534 175.532 176.094 -0.047 0.000 1.099 7 V CA -0.886 61.373 62.300 -0.068 0.000 0.989 7 V CB 2.095 33.742 31.823 -0.293 0.000 1.040 7 V HN 0.477 nan 8.190 nan 0.000 0.434 8 V N 2.915 122.801 119.914 -0.046 0.000 2.432 8 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 8 V C 1.372 177.417 176.094 -0.081 0.000 1.043 8 V CA 0.583 62.875 62.300 -0.013 0.000 0.925 8 V CB 0.967 32.820 31.823 0.049 0.000 0.985 8 V HN 1.179 nan 8.190 nan 0.000 0.466 9 T N 0.212 114.724 114.554 -0.071 0.000 3.023 9 T HA 0.538 4.888 4.350 -0.000 0.000 0.253 9 T C 0.606 175.253 174.700 -0.088 0.000 1.038 9 T CA 0.377 62.415 62.100 -0.103 0.000 0.962 9 T CB 0.466 69.274 68.868 -0.102 0.000 1.018 9 T HN 1.177 nan 8.240 nan 0.000 0.521 10 G N 0.542 109.310 108.800 -0.053 0.000 2.338 10 G HA2 0.491 4.451 3.960 -0.000 0.000 0.295 10 G HA3 0.491 4.451 3.960 -0.000 0.000 0.295 10 G C -2.104 172.798 174.900 0.002 0.000 1.461 10 G CA -0.664 44.376 45.100 -0.100 0.000 0.817 10 G HN 0.640 nan 8.290 nan 0.000 0.556 11 Y N -2.017 118.266 120.300 -0.029 0.000 2.656 11 Y HA 0.855 5.405 4.550 -0.000 0.000 0.334 11 Y C -0.065 175.836 175.900 0.001 0.000 1.179 11 Y CA -1.174 56.903 58.100 -0.037 0.000 1.050 11 Y CB 1.123 39.537 38.460 -0.078 0.000 1.308 11 Y HN 1.376 nan 8.280 nan 0.000 0.456 12 G N 0.305 109.277 108.800 0.287 0.000 2.563 12 G HA2 0.681 4.641 3.960 -0.000 0.000 0.302 12 G HA3 0.681 4.641 3.960 -0.000 0.000 0.302 12 G C -2.138 172.901 174.900 0.231 0.000 1.301 12 G CA -1.086 44.158 45.100 0.239 0.000 0.965 12 G HN 1.388 nan 8.290 nan 0.000 0.480 13 V N -0.358 119.708 119.914 0.252 0.000 3.000 13 V HA 0.830 4.950 4.120 -0.000 0.000 0.300 13 V C -1.269 175.015 176.094 0.317 0.000 1.251 13 V CA -0.339 62.061 62.300 0.167 0.000 0.972 13 V CB 2.290 34.023 31.823 -0.149 0.000 1.065 13 V HN 1.081 nan 8.190 nan 0.000 0.431 14 T N 4.068 118.761 114.554 0.231 0.000 2.881 14 T HA 0.824 5.174 4.350 -0.000 0.000 0.291 14 T C -0.764 173.952 174.700 0.027 0.000 0.990 14 T CA 0.415 62.599 62.100 0.140 0.000 0.976 14 T CB 0.875 69.798 68.868 0.092 0.000 0.970 14 T HN 1.773 nan 8.240 nan 0.000 0.438 15 S N 4.249 119.992 115.700 0.071 0.000 2.643 15 S HA 0.604 5.074 4.470 -0.000 0.000 0.270 15 S C -2.741 171.920 174.600 0.101 0.000 1.166 15 S CA -1.115 57.141 58.200 0.095 0.000 0.815 15 S CB 1.337 64.694 63.200 0.262 0.000 1.139 15 S HN 0.358 nan 8.310 nan 0.000 0.472 16 P HA 0.129 nan 4.420 nan 0.000 0.228 16 P C 0.978 178.334 177.300 0.093 0.000 1.151 16 P CA 0.747 63.895 63.100 0.080 0.000 0.770 16 P CB -0.294 31.454 31.700 0.080 0.000 0.786 17 I N -6.400 114.245 120.570 0.125 0.000 4.081 17 I HA 0.592 4.762 4.170 -0.000 0.000 0.333 17 I C 0.321 176.508 176.117 0.117 0.000 1.413 17 I CA -0.384 60.963 61.300 0.078 0.000 1.110 17 I CB 0.586 38.573 38.000 -0.022 0.000 1.082 17 I HN -0.176 nan 8.210 nan 0.000 0.402 18 G N 1.337 110.258 108.800 0.202 0.000 2.343 18 G HA2 0.044 4.004 3.960 -0.000 0.000 0.298 18 G HA3 0.044 4.004 3.960 -0.000 0.000 0.298 18 G C -1.094 173.966 174.900 0.267 0.000 1.644 18 G CA -0.649 44.593 45.100 0.236 0.000 0.958 18 G HN 0.056 nan 8.290 nan 0.000 0.702 19 N N 0.001 118.837 118.700 0.226 0.000 2.235 19 N HA 0.209 4.949 4.740 -0.000 0.000 0.231 19 N C 0.342 176.066 175.510 0.356 0.000 1.177 19 N CA 0.686 53.894 53.050 0.262 0.000 0.874 19 N CB 1.616 40.180 38.487 0.128 0.000 1.097 19 N HN 1.001 nan 8.380 nan 0.000 0.518 20 T N -3.617 111.110 114.554 0.287 0.000 2.883 20 T HA 0.406 4.756 4.350 -0.000 0.000 0.301 20 T C -2.527 172.306 174.700 0.222 0.000 1.158 20 T CA -1.478 60.767 62.100 0.242 0.000 1.007 20 T CB 2.835 71.818 68.868 0.193 0.000 1.186 20 T HN -0.368 nan 8.240 nan 0.000 0.499 21 P HA 0.044 nan 4.420 nan 0.000 0.218 21 P C 1.654 179.117 177.300 0.272 0.000 1.149 21 P CA 1.383 64.603 63.100 0.201 0.000 0.817 21 P CB -0.249 31.379 31.700 -0.120 0.000 0.785 22 A N 0.244 123.166 122.820 0.170 0.000 1.858 22 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 22 A C 2.162 179.869 177.584 0.206 0.000 1.190 22 A CA 1.767 53.915 52.037 0.186 0.000 0.617 22 A CB -1.290 17.783 19.000 0.122 0.000 0.827 22 A HN 0.160 nan 8.150 nan 0.000 0.443 23 E N -1.347 118.967 120.200 0.189 0.000 2.038 23 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 23 E C 1.789 178.493 176.600 0.173 0.000 1.000 23 E CA 1.399 57.894 56.400 0.159 0.000 0.803 23 E CB -0.342 29.454 29.700 0.159 0.000 0.750 23 E HN 0.635 nan 8.360 nan 0.000 0.448 24 F N 1.087 121.102 119.950 0.109 0.000 2.043 24 F HA -0.278 4.248 4.527 -0.000 0.000 0.297 24 F C 2.197 178.030 175.800 0.056 0.000 1.121 24 F CA 1.878 59.931 58.000 0.090 0.000 1.199 24 F CB -0.314 38.767 39.000 0.136 0.000 0.968 24 F HN 0.201 nan 8.300 nan 0.000 0.478 25 W N 1.115 122.472 121.300 0.094 0.000 2.358 25 W HA -0.279 4.381 4.660 0.000 0.000 0.303 25 W C 2.221 178.638 176.519 -0.169 0.000 1.208 25 W CA 1.729 59.023 57.345 -0.085 0.000 1.274 25 W CB -0.922 28.517 29.460 -0.035 0.000 1.138 25 W HN 0.184 nan 8.180 nan 0.000 0.515 26 N N 0.317 118.949 118.700 -0.113 0.000 2.094 26 N HA -0.200 4.539 4.740 -0.000 0.000 0.191 26 N C 1.875 177.220 175.510 -0.276 0.000 1.023 26 N CA 2.834 55.770 53.050 -0.190 0.000 0.857 26 N CB -0.589 37.878 38.487 -0.033 0.000 1.013 26 N HN -0.106 nan 8.380 nan 0.000 0.426 27 S N -0.102 115.451 115.700 -0.245 0.000 2.370 27 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 27 S C 1.888 176.302 174.600 -0.309 0.000 1.033 27 S CA 0.900 58.979 58.200 -0.203 0.000 1.011 27 S CB -0.331 62.772 63.200 -0.162 0.000 0.852 27 S HN 0.312 nan 8.310 nan 0.000 0.457 28 L N 0.955 121.755 121.223 -0.704 0.000 2.017 28 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 28 L C 2.816 179.318 176.870 -0.614 0.000 1.073 28 L CA 1.249 55.495 54.840 -0.990 0.000 0.745 28 L CB -0.718 40.610 42.059 -1.218 0.000 0.894 28 L HN 0.329 nan 8.230 nan 0.000 0.432 29 A N -0.015 122.327 122.820 -0.797 0.000 1.902 29 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 29 A C 2.297 179.716 177.584 -0.274 0.000 1.181 29 A CA 2.230 53.904 52.037 -0.605 0.000 0.623 29 A CB -0.874 17.696 19.000 -0.717 0.000 0.818 29 A HN 0.516 nan 8.150 nan 0.000 0.443 30 T N -4.344 110.088 114.554 -0.204 0.000 3.107 30 T HA 0.393 4.743 4.350 -0.000 0.000 0.249 30 T C 1.296 175.999 174.700 0.005 0.000 1.096 30 T CA 1.051 63.100 62.100 -0.085 0.000 1.012 30 T CB -0.109 68.711 68.868 -0.080 0.000 0.977 30 T HN 1.737 nan 8.240 nan 0.000 0.527 31 G N 2.069 110.938 108.800 0.115 0.000 2.179 31 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 31 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 31 G C -0.141 174.802 174.900 0.070 0.000 1.010 31 G CA 0.031 45.248 45.100 0.194 0.000 0.736 31 G HN 0.653 nan 8.290 nan 0.000 0.513 32 K N 0.915 121.396 120.400 0.135 0.000 2.273 32 K HA 0.452 4.772 4.320 -0.000 0.000 0.287 32 K C 1.337 177.985 176.600 0.079 0.000 1.089 32 K CA -0.363 55.951 56.287 0.044 0.000 0.909 32 K CB 0.962 33.480 32.500 0.030 0.000 1.123 32 K HN 0.644 nan 8.250 nan 0.000 0.473 33 I N -1.491 119.028 120.570 -0.086 0.000 2.945 33 I HA 0.252 4.421 4.170 -0.000 0.000 0.292 33 I C 0.820 176.941 176.117 0.006 0.000 1.093 33 I CA -0.176 61.065 61.300 -0.099 0.000 1.336 33 I CB 0.958 38.813 38.000 -0.242 0.000 1.435 33 I HN 0.559 nan 8.210 nan 0.000 0.593 34 G N 4.833 113.657 108.800 0.039 0.000 3.453 34 G HA2 0.346 4.306 3.960 -0.000 0.000 0.263 34 G HA3 0.346 4.306 3.960 -0.000 0.000 0.263 34 G C 0.310 175.223 174.900 0.021 0.000 1.060 34 G CA -0.267 44.859 45.100 0.042 0.000 0.793 34 G HN 0.516 nan 8.290 nan 0.000 0.532 35 I N 1.374 121.943 120.570 -0.001 0.000 2.395 35 I HA 0.588 4.758 4.170 -0.000 0.000 0.289 35 I C 0.818 176.919 176.117 -0.026 0.000 1.023 35 I CA -0.112 61.180 61.300 -0.012 0.000 1.350 35 I CB 1.652 39.640 38.000 -0.020 0.000 1.409 35 I HN 0.092 nan 8.210 nan 0.000 0.507 36 G N 3.321 112.100 108.800 -0.034 0.000 2.682 36 G HA2 0.552 4.512 3.960 -0.000 0.000 0.303 36 G HA3 0.552 4.512 3.960 -0.000 0.000 0.303 36 G C -0.718 174.140 174.900 -0.069 0.000 1.341 36 G CA -0.652 44.423 45.100 -0.041 0.000 0.784 36 G HN 0.757 nan 8.290 nan 0.000 0.497 37 G N -0.809 107.952 108.800 -0.065 0.000 2.491 37 G HA2 0.436 4.396 3.960 -0.000 0.000 0.238 37 G HA3 0.436 4.396 3.960 -0.000 0.000 0.238 37 G C 0.279 175.074 174.900 -0.174 0.000 1.277 37 G CA -0.352 44.685 45.100 -0.105 0.000 0.851 37 G HN 0.605 nan 8.290 nan 0.000 0.573 38 I N 0.971 121.298 120.570 -0.404 0.000 2.692 38 I HA 0.094 4.264 4.170 -0.000 0.000 0.284 38 I C 1.687 177.673 176.117 -0.217 0.000 1.159 38 I CA 0.580 61.610 61.300 -0.450 0.000 1.423 38 I CB 1.354 38.824 38.000 -0.883 0.000 1.380 38 I HN 0.704 nan 8.210 nan 0.000 0.580 39 T N 0.475 114.935 114.554 -0.157 0.000 2.986 39 T HA 0.158 4.508 4.350 -0.000 0.000 0.264 39 T C 1.251 175.921 174.700 -0.049 0.000 0.964 39 T CA -0.394 61.670 62.100 -0.059 0.000 0.895 39 T CB 0.111 68.969 68.868 -0.017 0.000 1.163 39 T HN 0.482 nan 8.240 nan 0.000 0.517 40 K N 0.808 121.159 120.400 -0.082 0.000 2.365 40 K HA 0.237 4.557 4.320 -0.000 0.000 0.199 40 K C 0.071 176.779 176.600 0.180 0.000 1.045 40 K CA 0.779 57.104 56.287 0.062 0.000 0.962 40 K CB -0.063 32.526 32.500 0.149 0.000 0.759 40 K HN 0.672 nan 8.250 nan 0.000 0.469 41 F N -2.368 117.606 119.950 0.040 0.000 2.817 41 F HA 0.287 4.813 4.527 -0.001 0.000 0.317 41 F C -1.555 174.274 175.800 0.048 0.000 1.168 41 F CA -1.990 56.028 58.000 0.029 0.000 0.911 41 F CB 0.637 39.636 39.000 -0.002 0.000 1.337 41 F HN -0.334 nan 8.300 nan 0.000 0.464 42 D N 0.791 121.381 120.400 0.316 0.000 2.352 42 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 42 D C 0.265 176.714 176.300 0.248 0.000 1.224 42 D CA 0.129 54.214 54.000 0.141 0.000 0.879 42 D CB 0.119 41.000 40.800 0.136 0.000 1.057 42 D HN 0.737 nan 8.370 nan 0.000 0.491 43 H N 0.407 119.488 119.070 0.019 0.000 2.505 43 H HA 0.212 4.769 4.556 0.001 0.000 0.289 43 H C 1.464 177.000 175.328 0.346 0.000 1.052 43 H CA 0.203 56.269 56.048 0.030 0.000 1.156 43 H CB 0.066 29.626 29.762 -0.337 0.000 1.507 43 H HN 0.197 nan 8.280 nan 0.000 0.548 44 S N -0.238 115.516 115.700 0.090 0.000 2.419 44 S HA -0.200 4.270 4.470 -0.000 0.000 0.233 44 S C 1.143 175.910 174.600 0.278 0.000 1.016 44 S CA 1.316 59.596 58.200 0.134 0.000 0.974 44 S CB -0.091 63.116 63.200 0.011 0.000 0.786 44 S HN 0.395 nan 8.310 nan 0.000 0.492 45 D N 0.233 120.838 120.400 0.341 0.000 2.340 45 D HA 0.324 4.964 4.640 -0.000 0.000 0.220 45 D C -0.195 176.217 176.300 0.187 0.000 1.039 45 D CA 0.048 54.175 54.000 0.212 0.000 0.866 45 D CB -0.107 40.759 40.800 0.109 0.000 0.913 45 D HN 0.344 nan 8.370 nan 0.000 0.523 46 F N 0.656 120.693 119.950 0.144 0.000 2.368 46 F HA 0.186 4.713 4.527 -0.000 0.000 0.315 46 F C 1.747 177.509 175.800 -0.065 0.000 1.145 46 F CA -0.587 57.440 58.000 0.044 0.000 1.095 46 F CB 0.778 39.811 39.000 0.054 0.000 1.286 46 F HN -0.287 nan 8.300 nan 0.000 0.530 47 D N -0.237 120.191 120.400 0.047 0.000 2.355 47 D HA 0.085 4.725 4.640 -0.000 0.000 0.206 47 D C -0.134 176.001 176.300 -0.274 0.000 1.010 47 D CA 0.742 54.713 54.000 -0.048 0.000 0.875 47 D CB 0.519 41.317 40.800 -0.005 0.000 0.966 47 D HN -0.017 nan 8.370 nan 0.000 0.512 48 V N 2.012 121.758 119.914 -0.279 0.000 2.394 48 V HA 0.154 4.274 4.120 -0.000 0.000 0.282 48 V C 0.589 176.351 176.094 -0.552 0.000 1.031 48 V CA -0.311 61.810 62.300 -0.299 0.000 0.881 48 V CB 1.551 33.312 31.823 -0.103 0.000 0.982 48 V HN 0.213 nan 8.190 nan 0.000 0.451 49 H N 2.429 121.440 119.070 -0.097 0.000 3.058 49 H HA 0.356 4.912 4.556 -0.000 0.000 0.266 49 H C -0.102 174.954 175.328 -0.453 0.000 1.135 49 H CA -0.255 55.602 56.048 -0.318 0.000 1.174 49 H CB 0.869 30.608 29.762 -0.038 0.000 1.581 49 H HN 0.498 nan 8.280 nan 0.000 0.553 50 N N 0.880 119.457 118.700 -0.204 0.000 2.328 50 N HA 0.654 5.394 4.740 -0.000 0.000 0.299 50 N C -0.608 174.810 175.510 -0.154 0.000 1.179 50 N CA -0.257 52.693 53.050 -0.166 0.000 0.793 50 N CB 3.007 41.447 38.487 -0.079 0.000 1.366 50 N HN 0.215 nan 8.380 nan 0.000 0.493 51 A N -0.267 122.484 122.820 -0.114 0.000 2.586 51 A HA 0.758 5.077 4.320 -0.000 0.000 0.290 51 A C -1.650 175.922 177.584 -0.020 0.000 1.086 51 A CA -0.671 51.334 52.037 -0.054 0.000 0.665 51 A CB 0.860 19.822 19.000 -0.065 0.000 1.279 51 A HN 0.591 nan 8.150 nan 0.000 0.423 52 A N 1.081 123.916 122.820 0.025 0.000 2.444 52 A HA 0.622 4.942 4.320 -0.000 0.000 0.332 52 A C -0.150 177.459 177.584 0.042 0.000 1.430 52 A CA -0.227 51.833 52.037 0.038 0.000 0.975 52 A CB -0.296 18.744 19.000 0.068 0.000 1.147 52 A HN 0.659 nan 8.150 nan 0.000 0.524 53 E N 1.527 121.743 120.200 0.026 0.000 2.227 53 E HA 0.446 4.796 4.350 -0.000 0.000 0.268 53 E C -0.841 175.777 176.600 0.030 0.000 0.990 53 E CA -0.660 55.760 56.400 0.033 0.000 0.856 53 E CB 1.871 31.586 29.700 0.024 0.000 1.159 53 E HN 0.624 nan 8.360 nan 0.000 0.401 54 I N 2.695 123.275 120.570 0.018 0.000 2.282 54 I HA 0.025 4.195 4.170 -0.000 0.000 0.290 54 I C 0.864 177.024 176.117 0.073 0.000 1.090 54 I CA 0.221 61.528 61.300 0.011 0.000 1.231 54 I CB 0.373 38.303 38.000 -0.118 0.000 1.434 54 I HN 0.429 nan 8.210 nan 0.000 0.487 55 Q N 2.948 122.791 119.800 0.072 0.000 2.392 55 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 55 Q C -0.034 176.024 176.000 0.096 0.000 0.917 55 Q CA 0.482 56.332 55.803 0.078 0.000 0.939 55 Q CB 0.316 29.085 28.738 0.051 0.000 1.063 55 Q HN 0.705 nan 8.270 nan 0.000 0.516 56 D N -1.084 119.381 120.400 0.108 0.000 2.819 56 D HA -0.005 4.635 4.640 -0.000 0.000 0.326 56 D C -0.460 175.912 176.300 0.120 0.000 1.408 56 D CA -0.686 53.375 54.000 0.101 0.000 0.811 56 D CB -0.721 40.118 40.800 0.066 0.000 1.148 56 D HN -0.075 nan 8.370 nan 0.000 0.457 57 F N 2.969 122.934 119.950 0.024 0.000 2.593 57 F HA 0.194 4.721 4.527 -0.000 0.000 0.393 57 F C -1.848 173.988 175.800 0.059 0.000 1.037 57 F CA -1.879 56.122 58.000 0.001 0.000 1.195 57 F CB 0.624 39.690 39.000 0.110 0.000 1.034 57 F HN -0.124 nan 8.300 nan 0.000 0.552 58 P HA 0.048 nan 4.420 nan 0.000 0.237 58 P C 0.614 177.610 177.300 -0.506 0.000 1.788 58 P CA 0.171 63.006 63.100 -0.441 0.000 1.061 58 P CB -0.490 31.047 31.700 -0.270 0.000 1.967 59 F N 2.327 122.045 119.950 -0.387 0.000 2.126 59 F HA -0.217 4.311 4.527 0.000 0.000 0.299 59 F C 1.455 177.322 175.800 0.111 0.000 1.096 59 F CA 1.758 59.784 58.000 0.043 0.000 1.255 59 F CB -0.050 39.121 39.000 0.285 0.000 0.997 59 F HN 0.049 nan 8.300 nan 0.000 0.479 60 D N 0.270 120.773 120.400 0.172 0.000 2.310 60 D HA -0.168 4.472 4.640 -0.000 0.000 0.212 60 D C 2.073 178.277 176.300 -0.159 0.000 0.965 60 D CA 0.730 54.762 54.000 0.054 0.000 0.879 60 D CB -0.338 40.527 40.800 0.109 0.000 0.921 60 D HN 0.397 nan 8.370 nan 0.000 0.510 61 K N -0.271 119.952 120.400 -0.296 0.000 2.063 61 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 61 K C 1.070 177.225 176.600 -0.743 0.000 1.048 61 K CA 1.349 57.306 56.287 -0.550 0.000 0.928 61 K CB 0.075 32.152 32.500 -0.704 0.000 0.713 61 K HN 0.255 nan 8.250 nan 0.000 0.442 62 Y N -2.233 117.768 120.300 -0.498 0.000 2.425 62 Y HA 0.250 4.800 4.550 -0.000 0.000 0.261 62 Y C 0.003 175.413 175.900 -0.815 0.000 1.084 62 Y CA -1.194 56.473 58.100 -0.721 0.000 1.248 62 Y CB 0.716 38.570 38.460 -1.011 0.000 1.270 62 Y HN -0.161 nan 8.280 nan 0.000 0.524 63 F N 0.341 120.162 119.950 -0.216 0.000 2.541 63 F HA 0.621 5.148 4.527 0.000 0.000 0.331 63 F C 0.010 175.638 175.800 -0.286 0.000 1.057 63 F CA -1.733 56.039 58.000 -0.381 0.000 0.975 63 F CB 1.313 39.772 39.000 -0.902 0.000 1.246 63 F HN -0.395 nan 8.300 nan 0.000 0.484 64 V N -1.032 118.991 119.914 0.183 0.000 2.919 64 V HA 0.478 4.598 4.120 -0.000 0.000 0.316 64 V C 0.706 177.112 176.094 0.521 0.000 1.077 64 V CA -1.186 61.294 62.300 0.300 0.000 0.977 64 V CB 1.707 33.647 31.823 0.194 0.000 1.039 64 V HN 0.841 nan 8.190 nan 0.000 0.441 65 K N 1.124 121.806 120.400 0.471 0.000 2.107 65 K HA -0.219 4.101 4.320 -0.000 0.000 0.211 65 K C 1.927 178.690 176.600 0.273 0.000 1.049 65 K CA 2.418 58.914 56.287 0.349 0.000 0.927 65 K CB -0.213 32.390 32.500 0.172 0.000 0.714 65 K HN 0.776 nan 8.250 nan 0.000 0.452 66 K N 0.156 120.680 120.400 0.207 0.000 2.360 66 K HA -0.127 4.193 4.320 -0.000 0.000 0.201 66 K C 1.239 177.918 176.600 0.132 0.000 1.046 66 K CA 1.267 57.634 56.287 0.132 0.000 0.945 66 K CB 0.066 32.621 32.500 0.091 0.000 0.750 66 K HN 0.261 nan 8.250 nan 0.000 0.464 67 D N -0.187 120.354 120.400 0.236 0.000 2.218 67 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 67 D C 1.775 178.179 176.300 0.174 0.000 0.976 67 D CA 1.466 55.601 54.000 0.225 0.000 0.853 67 D CB -0.171 40.862 40.800 0.389 0.000 0.939 67 D HN 0.362 nan 8.370 nan 0.000 0.481 68 T N -1.406 113.281 114.554 0.221 0.000 3.051 68 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 68 T C 1.516 176.238 174.700 0.036 0.000 1.127 68 T CA 0.629 62.811 62.100 0.137 0.000 1.107 68 T CB -0.057 68.869 68.868 0.097 0.000 0.898 68 T HN -0.082 nan 8.240 nan 0.000 0.517 69 N N 2.192 120.891 118.700 -0.002 0.000 2.331 69 N HA -0.016 4.724 4.740 -0.000 0.000 0.180 69 N C 1.874 177.312 175.510 -0.121 0.000 1.019 69 N CA 1.141 54.162 53.050 -0.048 0.000 0.881 69 N CB -0.170 38.291 38.487 -0.043 0.000 0.972 69 N HN 0.799 nan 8.380 nan 0.000 0.435 70 R N -1.472 118.875 120.500 -0.255 0.000 2.509 70 R HA 0.242 4.582 4.340 -0.000 0.000 0.297 70 R C -0.599 175.380 176.300 -0.536 0.000 0.951 70 R CA -0.123 55.714 56.100 -0.438 0.000 1.103 70 R CB 0.064 30.008 30.300 -0.594 0.000 1.283 70 R HN -0.071 nan 8.270 nan 0.000 0.534 71 F N 1.333 121.261 119.950 -0.037 0.000 2.536 71 F HA 0.320 4.846 4.527 -0.000 0.000 0.322 71 F C -0.318 175.435 175.800 -0.078 0.000 1.144 71 F CA -1.411 56.539 58.000 -0.084 0.000 0.924 71 F CB 2.018 40.917 39.000 -0.170 0.000 1.181 71 F HN -0.072 nan 8.300 nan 0.000 0.438 72 D N 1.457 121.948 120.400 0.150 0.000 2.358 72 D HA 0.105 4.744 4.640 -0.000 0.000 0.244 72 D C 1.033 177.300 176.300 -0.056 0.000 1.163 72 D CA -0.068 53.984 54.000 0.086 0.000 0.945 72 D CB 0.829 41.757 40.800 0.213 0.000 1.152 72 D HN 0.368 nan 8.370 nan 0.000 0.451 73 N N 0.570 119.166 118.700 -0.173 0.000 2.192 73 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 73 N C 1.438 176.508 175.510 -0.732 0.000 1.013 73 N CA 1.054 53.765 53.050 -0.566 0.000 0.863 73 N CB -0.527 37.559 38.487 -0.669 0.000 0.990 73 N HN 0.618 nan 8.380 nan 0.000 0.430 74 Y N 0.046 120.094 120.300 -0.420 0.000 2.274 74 Y HA -0.022 4.528 4.550 -0.000 0.000 0.290 74 Y C 2.133 177.936 175.900 -0.162 0.000 1.145 74 Y CA 1.248 59.194 58.100 -0.258 0.000 1.203 74 Y CB -0.408 38.004 38.460 -0.081 0.000 0.984 74 Y HN -0.100 nan 8.280 nan 0.000 0.533 75 S N 0.856 116.116 115.700 -0.733 0.000 2.395 75 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 75 S C 1.884 176.220 174.600 -0.440 0.000 1.027 75 S CA 0.989 58.790 58.200 -0.664 0.000 0.965 75 S CB -0.392 62.532 63.200 -0.459 0.000 0.812 75 S HN 0.485 nan 8.310 nan 0.000 0.482 76 L N 0.193 121.158 121.223 -0.431 0.000 2.042 76 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 76 L C 2.154 179.100 176.870 0.125 0.000 1.076 76 L CA 1.568 56.195 54.840 -0.356 0.000 0.749 76 L CB -0.751 41.079 42.059 -0.382 0.000 0.893 76 L HN 0.432 nan 8.230 nan 0.000 0.432 77 Y N -0.387 119.864 120.300 -0.082 0.000 2.181 77 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 77 Y C 2.732 178.755 175.900 0.204 0.000 1.146 77 Y CA 0.254 58.389 58.100 0.059 0.000 1.164 77 Y CB -0.326 38.109 38.460 -0.042 0.000 0.982 77 Y HN 0.204 nan 8.280 nan 0.000 0.515 78 A N 0.354 123.304 122.820 0.218 0.000 1.898 78 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 78 A C 2.186 179.882 177.584 0.186 0.000 1.181 78 A CA 1.193 53.323 52.037 0.154 0.000 0.620 78 A CB -0.972 18.030 19.000 0.003 0.000 0.819 78 A HN 0.450 nan 8.150 nan 0.000 0.442 79 L N -2.147 119.171 121.223 0.159 0.000 2.046 79 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 79 L C 2.576 179.632 176.870 0.310 0.000 1.077 79 L CA 1.870 56.820 54.840 0.184 0.000 0.747 79 L CB -0.592 41.530 42.059 0.104 0.000 0.896 79 L HN 0.627 nan 8.230 nan 0.000 0.432 80 Y N 0.489 121.043 120.300 0.425 0.000 2.114 80 Y HA -0.298 4.252 4.550 0.000 0.000 0.284 80 Y C 2.499 178.570 175.900 0.284 0.000 1.143 80 Y CA 1.616 59.971 58.100 0.424 0.000 1.135 80 Y CB -0.268 38.622 38.460 0.716 0.000 0.980 80 Y HN 0.100 nan 8.280 nan 0.000 0.499 81 A N 0.650 123.769 122.820 0.499 0.000 1.940 81 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 81 A C 2.377 180.033 177.584 0.120 0.000 1.176 81 A CA 1.950 54.168 52.037 0.301 0.000 0.631 81 A CB -1.533 17.650 19.000 0.306 0.000 0.814 81 A HN 0.661 nan 8.150 nan 0.000 0.446 82 A N -0.946 121.949 122.820 0.124 0.000 1.877 82 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 82 A C 2.166 179.703 177.584 -0.079 0.000 1.186 82 A CA 2.113 54.172 52.037 0.037 0.000 0.620 82 A CB -0.577 18.535 19.000 0.187 0.000 0.822 82 A HN 0.531 nan 8.150 nan 0.000 0.443 83 Q N -0.100 119.715 119.800 0.025 0.000 2.084 83 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 83 Q C 1.930 177.778 176.000 -0.253 0.000 0.978 83 Q CA 2.044 57.773 55.803 -0.122 0.000 0.844 83 Q CB -0.263 28.071 28.738 -0.673 0.000 0.898 83 Q HN 0.657 nan 8.270 nan 0.000 0.426 84 E N -0.098 119.958 120.200 -0.241 0.000 2.058 84 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 84 E C 1.884 178.461 176.600 -0.038 0.000 0.997 84 E CA 1.305 57.617 56.400 -0.145 0.000 0.801 84 E CB -0.463 29.205 29.700 -0.053 0.000 0.746 84 E HN 0.497 nan 8.360 nan 0.000 0.450 85 A N 1.053 123.860 122.820 -0.021 0.000 1.902 85 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 85 A C 2.617 180.125 177.584 -0.127 0.000 1.181 85 A CA 1.428 53.450 52.037 -0.026 0.000 0.623 85 A CB -0.616 18.371 19.000 -0.021 0.000 0.818 85 A HN 0.134 nan 8.150 nan 0.000 0.443 86 V N 0.764 120.537 119.914 -0.235 0.000 2.427 86 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 86 V C 2.280 178.252 176.094 -0.204 0.000 1.051 86 V CA 2.044 64.178 62.300 -0.276 0.000 1.048 86 V CB -0.921 30.635 31.823 -0.445 0.000 0.666 86 V HN 0.542 nan 8.190 nan 0.000 0.456 87 N N 0.146 118.707 118.700 -0.232 0.000 2.080 87 N HA -0.148 4.592 4.740 -0.000 0.000 0.189 87 N C 1.754 177.090 175.510 -0.290 0.000 1.036 87 N CA 1.720 54.605 53.050 -0.274 0.000 0.846 87 N CB -0.537 37.727 38.487 -0.371 0.000 1.015 87 N HN 0.641 nan 8.380 nan 0.000 0.423 88 H N -0.125 118.859 119.070 -0.144 0.000 2.457 88 H HA 0.155 4.711 4.556 -0.000 0.000 0.294 88 H C 1.593 176.817 175.328 -0.173 0.000 1.064 88 H CA 1.128 57.071 56.048 -0.175 0.000 1.330 88 H CB 0.118 29.727 29.762 -0.256 0.000 1.395 88 H HN 0.256 nan 8.280 nan 0.000 0.541 89 A N 0.346 123.124 122.820 -0.070 0.000 2.169 89 A HA -0.012 4.308 4.320 -0.000 0.000 0.212 89 A C 0.616 178.143 177.584 -0.096 0.000 1.153 89 A CA 0.447 52.429 52.037 -0.092 0.000 0.756 89 A CB -0.250 18.686 19.000 -0.106 0.000 0.813 89 A HN 0.622 nan 8.150 nan 0.000 0.471 90 N N -1.985 116.654 118.700 -0.102 0.000 2.735 90 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 90 N C -0.549 174.900 175.510 -0.101 0.000 1.083 90 N CA 0.515 53.508 53.050 -0.095 0.000 0.703 90 N CB -1.382 37.059 38.487 -0.078 0.000 1.005 90 N HN 0.466 nan 8.380 nan 0.000 0.550 91 L N 0.790 121.939 121.223 -0.124 0.000 2.281 91 L HA 0.294 4.634 4.340 -0.000 0.000 0.285 91 L C -0.066 176.726 176.870 -0.131 0.000 1.074 91 L CA -0.145 54.609 54.840 -0.143 0.000 0.817 91 L CB 0.822 42.758 42.059 -0.205 0.000 1.168 91 L HN 0.040 nan 8.230 nan 0.000 0.434 92 D N 3.632 123.966 120.400 -0.111 0.000 2.456 92 D HA 0.090 4.730 4.640 -0.000 0.000 0.219 92 D C 1.170 177.414 176.300 -0.093 0.000 1.126 92 D CA -0.121 53.832 54.000 -0.079 0.000 0.890 92 D CB 1.060 41.824 40.800 -0.061 0.000 1.025 92 D HN 0.414 nan 8.370 nan 0.000 0.511 93 V N 2.750 122.620 119.914 -0.074 0.000 2.594 93 V HA -0.119 4.001 4.120 -0.000 0.000 0.253 93 V C 1.868 177.963 176.094 0.002 0.000 1.069 93 V CA 1.725 63.983 62.300 -0.069 0.000 1.082 93 V CB -0.920 30.970 31.823 0.110 0.000 0.680 93 V HN 0.451 nan 8.190 nan 0.000 0.469 94 A N -0.020 122.811 122.820 0.018 0.000 2.209 94 A HA 0.552 4.872 4.320 -0.000 0.000 0.212 94 A C 2.073 179.662 177.584 0.007 0.000 1.158 94 A CA 1.179 53.232 52.037 0.025 0.000 0.742 94 A CB -0.511 18.502 19.000 0.021 0.000 0.790 94 A HN 1.097 nan 8.150 nan 0.000 0.472 95 A N -0.893 121.918 122.820 -0.016 0.000 2.470 95 A HA 0.583 4.903 4.320 -0.000 0.000 0.251 95 A C 0.522 178.098 177.584 -0.015 0.000 1.245 95 A CA -0.303 51.723 52.037 -0.018 0.000 0.932 95 A CB 0.005 18.985 19.000 -0.033 0.000 1.037 95 A HN 0.357 nan 8.150 nan 0.000 0.522 96 L N -0.157 121.054 121.223 -0.020 0.000 2.431 96 L HA 0.303 4.642 4.340 -0.000 0.000 0.260 96 L C 0.274 177.168 176.870 0.040 0.000 1.098 96 L CA -0.936 53.901 54.840 -0.006 0.000 0.800 96 L CB 0.562 42.541 42.059 -0.133 0.000 1.210 96 L HN 0.253 nan 8.230 nan 0.000 0.465 97 N N 0.778 119.516 118.700 0.064 0.000 2.439 97 N HA 0.105 4.845 4.740 -0.000 0.000 0.243 97 N C 0.752 176.329 175.510 0.112 0.000 1.088 97 N CA 0.095 53.189 53.050 0.074 0.000 0.940 97 N CB 0.618 39.148 38.487 0.072 0.000 1.180 97 N HN 0.421 nan 8.380 nan 0.000 0.505 98 R N 1.651 122.231 120.500 0.133 0.000 2.200 98 R HA -0.089 4.250 4.340 -0.000 0.000 0.234 98 R C 0.258 176.657 176.300 0.166 0.000 1.127 98 R CA 1.189 57.410 56.100 0.203 0.000 0.989 98 R CB 0.209 30.610 30.300 0.167 0.000 0.869 98 R HN 0.562 nan 8.270 nan 0.000 0.459 99 D N -0.077 120.390 120.400 0.112 0.000 2.317 99 D HA -0.047 4.593 4.640 -0.000 0.000 0.211 99 D C 1.151 177.507 176.300 0.094 0.000 0.966 99 D CA 0.744 54.795 54.000 0.085 0.000 0.876 99 D CB 0.200 41.039 40.800 0.065 0.000 0.927 99 D HN 0.122 nan 8.370 nan 0.000 0.519 100 R N 0.115 120.683 120.500 0.112 0.000 2.507 100 R HA 0.122 4.462 4.340 -0.000 0.000 0.298 100 R C -0.145 176.244 176.300 0.149 0.000 0.999 100 R CA -0.382 55.778 56.100 0.100 0.000 1.082 100 R CB 0.228 30.565 30.300 0.062 0.000 1.246 100 R HN 0.012 nan 8.270 nan 0.000 0.553 101 F N 0.980 120.919 119.950 -0.018 0.000 2.402 101 F HA 0.666 5.192 4.527 -0.000 0.000 0.355 101 F C -0.101 175.695 175.800 -0.007 0.000 1.123 101 F CA -1.756 56.224 58.000 -0.033 0.000 1.021 101 F CB 1.231 40.220 39.000 -0.019 0.000 1.160 101 F HN 0.014 nan 8.300 nan 0.000 0.451 102 G N 3.855 112.652 108.800 -0.004 0.000 2.685 102 G HA2 0.678 4.638 3.960 -0.000 0.000 0.298 102 G HA3 0.678 4.638 3.960 -0.000 0.000 0.298 102 G C -2.081 172.692 174.900 -0.213 0.000 1.277 102 G CA -0.895 44.109 45.100 -0.160 0.000 0.986 102 G HN 0.533 nan 8.290 nan 0.000 0.487 103 V N 0.348 120.167 119.914 -0.159 0.000 2.686 103 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 103 V C -0.770 175.298 176.094 -0.043 0.000 1.065 103 V CA -0.462 61.774 62.300 -0.107 0.000 0.894 103 V CB 1.810 33.556 31.823 -0.130 0.000 1.004 103 V HN 0.631 nan 8.190 nan 0.000 0.424 104 I N 4.529 125.091 120.570 -0.013 0.000 2.468 104 I HA 0.466 4.636 4.170 -0.000 0.000 0.284 104 I C -0.987 175.143 176.117 0.023 0.000 1.038 104 I CA -0.709 60.594 61.300 0.005 0.000 1.083 104 I CB 2.165 40.168 38.000 0.005 0.000 1.223 104 I HN 0.275 nan 8.210 nan 0.000 0.443 105 V N 5.855 125.791 119.914 0.036 0.000 2.326 105 V HA 0.530 4.650 4.120 -0.000 0.000 0.281 105 V C 0.609 176.753 176.094 0.082 0.000 1.015 105 V CA -0.529 61.806 62.300 0.059 0.000 0.823 105 V CB 1.341 33.197 31.823 0.054 0.000 1.009 105 V HN 0.809 nan 8.190 nan 0.000 0.436 106 A N 3.854 126.721 122.820 0.079 0.000 2.332 106 A HA 0.810 5.129 4.320 -0.000 0.000 0.258 106 A C 0.280 177.939 177.584 0.124 0.000 1.087 106 A CA -0.067 52.020 52.037 0.083 0.000 0.802 106 A CB 1.016 20.052 19.000 0.060 0.000 1.042 106 A HN 0.932 nan 8.150 nan 0.000 0.489 107 S N -0.637 115.132 115.700 0.115 0.000 2.560 107 S HA 0.500 4.970 4.470 -0.000 0.000 0.283 107 S C 0.607 175.251 174.600 0.074 0.000 1.141 107 S CA 0.101 58.378 58.200 0.129 0.000 0.902 107 S CB 0.966 64.283 63.200 0.195 0.000 1.104 107 S HN 1.479 nan 8.310 nan 0.000 0.454 108 G N 2.316 111.161 108.800 0.076 0.000 2.539 108 G HA2 0.193 4.153 3.960 -0.000 0.000 0.215 108 G HA3 0.193 4.153 3.960 -0.000 0.000 0.215 108 G C 0.792 175.725 174.900 0.056 0.000 1.141 108 G CA 0.501 45.648 45.100 0.078 0.000 0.806 108 G HN 0.718 nan 8.290 nan 0.000 0.533 109 I N -0.871 119.711 120.570 0.019 0.000 4.526 109 I HA 0.316 4.486 4.170 -0.000 0.000 0.330 109 I C 1.488 177.502 176.117 -0.171 0.000 1.323 109 I CA 0.120 61.408 61.300 -0.021 0.000 1.218 109 I CB 0.387 38.418 38.000 0.052 0.000 1.233 109 I HN 0.255 nan 8.210 nan 0.000 0.430 110 G N 1.891 110.478 108.800 -0.356 0.000 2.569 110 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.259 110 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.259 110 G C 0.510 174.825 174.900 -0.976 0.000 1.263 110 G CA -0.186 44.339 45.100 -0.958 0.000 0.928 110 G HN 0.565 nan 8.290 nan 0.000 0.572 111 G N -0.813 107.492 108.800 -0.825 0.000 3.213 111 G HA2 0.463 4.423 3.960 -0.000 0.000 0.263 111 G HA3 0.463 4.423 3.960 -0.000 0.000 0.263 111 G C 1.122 175.947 174.900 -0.126 0.000 0.829 111 G CA 0.624 45.567 45.100 -0.262 0.000 1.983 111 G HN 0.924 nan 8.290 nan 0.000 0.616 112 I N 0.750 121.256 120.570 -0.107 0.000 2.454 112 I HA -0.069 4.101 4.170 -0.000 0.000 0.254 112 I C 2.479 178.594 176.117 -0.003 0.000 1.156 112 I CA 1.238 62.521 61.300 -0.029 0.000 1.433 112 I CB 0.056 38.089 38.000 0.055 0.000 1.082 112 I HN 0.400 nan 8.210 nan 0.000 0.432 113 K N 0.215 120.621 120.400 0.010 0.000 2.025 113 K HA -0.264 4.056 4.320 -0.000 0.000 0.207 113 K C 2.164 178.760 176.600 -0.005 0.000 1.049 113 K CA 1.717 58.013 56.287 0.015 0.000 0.933 113 K CB -0.205 32.312 32.500 0.027 0.000 0.714 113 K HN 0.224 nan 8.250 nan 0.000 0.438 114 E N 1.085 121.283 120.200 -0.004 0.000 2.070 114 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 114 E C 1.784 178.365 176.600 -0.032 0.000 1.004 114 E CA 1.807 58.202 56.400 -0.008 0.000 0.805 114 E CB -0.232 29.474 29.700 0.009 0.000 0.744 114 E HN 0.423 nan 8.360 nan 0.000 0.451 115 I N 0.441 120.978 120.570 -0.055 0.000 2.127 115 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 115 I C 2.657 178.705 176.117 -0.115 0.000 1.075 115 I CA 1.834 63.079 61.300 -0.092 0.000 1.334 115 I CB -0.458 37.464 38.000 -0.130 0.000 1.040 115 I HN 0.293 nan 8.210 nan 0.000 0.405 116 E N 1.120 121.244 120.200 -0.126 0.000 2.058 116 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 116 E C 1.689 178.247 176.600 -0.069 0.000 0.997 116 E CA 1.883 58.204 56.400 -0.133 0.000 0.801 116 E CB 0.045 29.698 29.700 -0.077 0.000 0.746 116 E HN 0.402 nan 8.360 nan 0.000 0.450 117 D N 0.132 120.509 120.400 -0.038 0.000 2.117 117 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 117 D C 2.020 178.312 176.300 -0.013 0.000 0.987 117 D CA 0.883 54.873 54.000 -0.017 0.000 0.829 117 D CB -0.176 40.621 40.800 -0.005 0.000 0.961 117 D HN 0.225 nan 8.370 nan 0.000 0.460 118 Q N 0.163 119.952 119.800 -0.020 0.000 2.245 118 Q HA 0.008 4.348 4.340 -0.000 0.000 0.201 118 Q C 2.430 178.431 176.000 0.002 0.000 0.955 118 Q CA 0.196 55.992 55.803 -0.012 0.000 0.870 118 Q CB -0.227 28.501 28.738 -0.018 0.000 0.945 118 Q HN 0.217 nan 8.270 nan 0.000 0.461 119 V N 1.326 121.235 119.914 -0.008 0.000 2.295 119 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 119 V C 2.366 178.526 176.094 0.110 0.000 1.049 119 V CA 1.390 63.715 62.300 0.041 0.000 1.024 119 V CB -0.534 31.253 31.823 -0.060 0.000 0.648 119 V HN 0.267 nan 8.190 nan 0.000 0.447 120 L N -0.851 120.391 121.223 0.031 0.000 2.083 120 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 120 L C 2.740 179.647 176.870 0.062 0.000 1.083 120 L CA 1.589 56.455 54.840 0.043 0.000 0.752 120 L CB -0.595 41.468 42.059 0.008 0.000 0.899 120 L HN 0.224 nan 8.230 nan 0.000 0.433 121 R N -0.187 120.334 120.500 0.035 0.000 2.073 121 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 121 R C 2.264 178.567 176.300 0.005 0.000 1.134 121 R CA 1.423 57.533 56.100 0.016 0.000 0.952 121 R CB -0.456 29.846 30.300 0.002 0.000 0.850 121 R HN 0.172 nan 8.270 nan 0.000 0.433 122 L N 0.314 121.536 121.223 -0.000 0.000 2.013 122 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 122 L C 1.664 178.434 176.870 -0.165 0.000 1.073 122 L CA 2.044 56.834 54.840 -0.084 0.000 0.753 122 L CB -0.588 41.414 42.059 -0.096 0.000 0.890 122 L HN 0.180 nan 8.230 nan 0.000 0.432 123 H N -0.823 118.229 119.070 -0.029 0.000 2.462 123 H HA 0.007 4.563 4.556 -0.000 0.000 0.292 123 H C 2.104 177.421 175.328 -0.019 0.000 1.049 123 H CA 1.530 57.563 56.048 -0.025 0.000 1.334 123 H CB 0.128 29.873 29.762 -0.029 0.000 1.404 123 H HN 0.521 nan 8.280 nan 0.000 0.544 124 E N 0.085 120.326 120.200 0.068 0.000 2.102 124 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 124 E C 1.371 177.974 176.600 0.006 0.000 0.971 124 E CA 0.768 57.190 56.400 0.035 0.000 0.821 124 E CB 0.308 30.026 29.700 0.030 0.000 0.777 124 E HN 0.360 nan 8.360 nan 0.000 0.460 125 K N -0.612 119.784 120.400 -0.008 0.000 2.367 125 K HA 0.263 4.583 4.320 -0.000 0.000 0.195 125 K C 0.217 176.795 176.600 -0.036 0.000 1.060 125 K CA 0.316 56.592 56.287 -0.018 0.000 1.022 125 K CB 1.771 34.264 32.500 -0.013 0.000 0.894 125 K HN 0.156 nan 8.250 nan 0.000 0.540 126 G N 1.609 110.371 108.800 -0.063 0.000 2.619 126 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 126 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 126 G C -2.522 172.331 174.900 -0.079 0.000 1.256 126 G CA -0.812 44.240 45.100 -0.080 0.000 0.826 126 G HN -0.186 nan 8.290 nan 0.000 0.619 127 P HA -0.055 nan 4.420 nan 0.000 0.218 127 P C 1.579 178.850 177.300 -0.048 0.000 1.149 127 P CA 1.366 64.423 63.100 -0.071 0.000 0.817 127 P CB 0.044 31.704 31.700 -0.068 0.000 0.785 128 K N -0.549 119.826 120.400 -0.040 0.000 2.280 128 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 128 K C 1.791 178.375 176.600 -0.027 0.000 1.047 128 K CA 0.801 57.070 56.287 -0.030 0.000 0.942 128 K CB -0.025 32.459 32.500 -0.026 0.000 0.739 128 K HN -0.040 nan 8.250 nan 0.000 0.457 129 R N 0.133 120.615 120.500 -0.029 0.000 2.317 129 R HA 0.106 4.445 4.340 -0.000 0.000 0.208 129 R C 0.097 176.383 176.300 -0.022 0.000 0.914 129 R CA 0.075 56.161 56.100 -0.023 0.000 1.060 129 R CB -0.344 29.944 30.300 -0.020 0.000 1.015 129 R HN -0.066 nan 8.270 nan 0.000 0.498 130 V N 3.325 123.223 119.914 -0.028 0.000 2.572 130 V HA 0.007 4.126 4.120 -0.000 0.000 0.291 130 V C 0.869 176.950 176.094 -0.021 0.000 1.039 130 V CA -0.258 62.027 62.300 -0.025 0.000 1.055 130 V CB 0.730 32.534 31.823 -0.031 0.000 0.969 130 V HN 0.012 nan 8.190 nan 0.000 0.482 131 K N 6.346 126.736 120.400 -0.018 0.000 2.448 131 K HA 0.098 4.418 4.320 -0.000 0.000 0.278 131 K C -1.529 175.059 176.600 -0.020 0.000 1.009 131 K CA -1.282 54.995 56.287 -0.018 0.000 0.995 131 K CB 0.685 33.175 32.500 -0.016 0.000 0.917 131 K HN 0.349 nan 8.250 nan 0.000 0.481 132 P HA -0.081 nan 4.420 nan 0.000 0.218 132 P C 0.871 178.157 177.300 -0.024 0.000 1.148 132 P CA 1.228 64.315 63.100 -0.022 0.000 0.822 132 P CB 0.239 31.925 31.700 -0.024 0.000 0.784 133 M N -1.841 117.742 119.600 -0.029 0.000 2.568 133 M HA 0.080 4.559 4.480 -0.000 0.000 0.226 133 M C 1.357 177.646 176.300 -0.018 0.000 1.148 133 M CA 0.779 56.059 55.300 -0.033 0.000 1.007 133 M CB -1.478 31.088 32.600 -0.057 0.000 1.651 133 M HN -0.086 nan 8.290 nan 0.000 0.488 134 T N 1.621 116.167 114.554 -0.014 0.000 2.597 134 T HA -0.161 4.188 4.350 -0.000 0.000 0.267 134 T C 1.958 176.658 174.700 0.001 0.000 1.053 134 T CA 1.509 63.605 62.100 -0.008 0.000 1.165 134 T CB -0.208 68.652 68.868 -0.014 0.000 0.863 134 T HN 0.379 nan 8.240 nan 0.000 0.427 135 L N 0.551 121.774 121.223 -0.001 0.000 2.056 135 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 135 L C -0.554 176.334 176.870 0.029 0.000 1.078 135 L CA 1.071 55.916 54.840 0.009 0.000 0.749 135 L CB -1.587 40.473 42.059 0.001 0.000 0.901 135 L HN 0.196 nan 8.230 nan 0.000 0.433 136 P HA -0.160 nan 4.420 nan 0.000 0.219 136 P C 1.321 178.666 177.300 0.076 0.000 1.146 136 P CA 1.392 64.513 63.100 0.036 0.000 0.808 136 P CB 0.065 31.765 31.700 -0.001 0.000 0.779 137 K N -1.204 119.237 120.400 0.068 0.000 2.186 137 K HA 0.121 4.441 4.320 -0.000 0.000 0.202 137 K C 2.005 178.724 176.600 0.199 0.000 1.052 137 K CA 1.060 57.422 56.287 0.124 0.000 0.965 137 K CB -0.218 32.324 32.500 0.070 0.000 0.746 137 K HN 0.016 nan 8.250 nan 0.000 0.457 138 A N 1.153 124.036 122.820 0.104 0.000 1.911 138 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 138 A C 0.842 178.425 177.584 -0.002 0.000 1.189 138 A CA 0.036 52.095 52.037 0.037 0.000 0.639 138 A CB -0.285 18.707 19.000 -0.014 0.000 0.839 138 A HN 0.095 nan 8.150 nan 0.000 0.449 139 L N 0.543 121.794 121.223 0.046 0.000 2.578 139 L HA 0.024 4.363 4.340 -0.000 0.000 0.279 139 L C -1.588 175.322 176.870 0.067 0.000 1.227 139 L CA -1.011 53.849 54.840 0.035 0.000 0.900 139 L CB 0.274 42.361 42.059 0.046 0.000 1.144 139 L HN 0.139 nan 8.230 nan 0.000 0.496 140 P HA -0.121 nan 4.420 nan 0.000 0.225 140 P C 0.845 178.256 177.300 0.184 0.000 1.148 140 P CA 0.941 64.050 63.100 0.015 0.000 0.779 140 P CB -0.033 31.648 31.700 -0.032 0.000 0.780 141 N N -1.272 117.512 118.700 0.140 0.000 2.446 141 N HA -0.046 4.694 4.740 -0.000 0.000 0.179 141 N C 1.314 176.909 175.510 0.142 0.000 1.054 141 N CA 0.801 53.925 53.050 0.123 0.000 0.905 141 N CB -0.711 37.818 38.487 0.071 0.000 0.973 141 N HN 0.048 nan 8.380 nan 0.000 0.448 142 M N 1.322 121.039 119.600 0.193 0.000 2.202 142 M HA -0.003 4.476 4.480 -0.000 0.000 0.262 142 M C 2.329 178.668 176.300 0.065 0.000 1.063 142 M CA 1.145 56.534 55.300 0.147 0.000 1.097 142 M CB -1.303 31.405 32.600 0.181 0.000 1.382 142 M HN 0.305 nan 8.290 nan 0.000 0.413 143 A N -0.425 122.394 122.820 -0.001 0.000 1.908 143 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 143 A C 2.570 180.123 177.584 -0.052 0.000 1.181 143 A CA 2.211 54.132 52.037 -0.194 0.000 0.627 143 A CB -0.896 17.886 19.000 -0.363 0.000 0.818 143 A HN 0.459 nan 8.150 nan 0.000 0.445 144 S N -0.780 114.930 115.700 0.016 0.000 2.353 144 S HA -0.085 4.385 4.470 -0.000 0.000 0.222 144 S C 2.079 176.682 174.600 0.005 0.000 1.035 144 S CA 1.503 59.713 58.200 0.017 0.000 1.025 144 S CB -0.679 62.539 63.200 0.030 0.000 0.902 144 S HN 0.771 nan 8.310 nan 0.000 0.440 145 G N 2.009 110.820 108.800 0.018 0.000 2.418 145 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 145 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 145 G C 1.397 176.309 174.900 0.019 0.000 1.158 145 G CA 0.848 45.958 45.100 0.017 0.000 0.771 145 G HN 0.437 nan 8.290 nan 0.000 0.545 146 N N 0.410 119.127 118.700 0.028 0.000 2.120 146 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 146 N C 2.339 177.833 175.510 -0.027 0.000 1.024 146 N CA 1.172 54.242 53.050 0.033 0.000 0.852 146 N CB -0.587 37.910 38.487 0.017 0.000 1.003 146 N HN 0.194 nan 8.380 nan 0.000 0.424 147 V N 1.603 121.509 119.914 -0.014 0.000 2.343 147 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 147 V C 2.414 178.567 176.094 0.098 0.000 1.051 147 V CA 1.738 64.080 62.300 0.070 0.000 1.036 147 V CB -0.938 30.954 31.823 0.115 0.000 0.654 147 V HN 0.292 nan 8.190 nan 0.000 0.451 148 A N 0.951 123.778 122.820 0.011 0.000 1.902 148 A HA -0.266 4.053 4.320 -0.000 0.000 0.217 148 A C 2.287 179.851 177.584 -0.032 0.000 1.181 148 A CA 2.423 54.431 52.037 -0.049 0.000 0.623 148 A CB -0.512 18.438 19.000 -0.084 0.000 0.818 148 A HN 0.673 nan 8.150 nan 0.000 0.443 149 M N -1.394 118.188 119.600 -0.030 0.000 2.229 149 M HA -0.038 4.442 4.480 -0.000 0.000 0.264 149 M C 2.140 178.385 176.300 -0.091 0.000 1.063 149 M CA 2.129 57.409 55.300 -0.033 0.000 1.114 149 M CB -0.479 32.118 32.600 -0.004 0.000 1.387 149 M HN 0.339 nan 8.290 nan 0.000 0.420 150 R N 0.655 121.035 120.500 -0.200 0.000 2.092 150 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 150 R C 0.935 176.888 176.300 -0.579 0.000 1.119 150 R CA 1.664 57.484 56.100 -0.466 0.000 0.970 150 R CB -0.156 29.678 30.300 -0.778 0.000 0.864 150 R HN 0.502 nan 8.270 nan 0.000 0.440 151 F N -0.554 119.405 119.950 0.014 0.000 2.695 151 F HA 0.354 4.881 4.527 -0.000 0.000 0.303 151 F C 1.208 177.103 175.800 0.158 0.000 1.091 151 F CA 0.235 58.298 58.000 0.104 0.000 1.300 151 F CB 1.041 40.165 39.000 0.206 0.000 1.071 151 F HN 0.211 nan 8.300 nan 0.000 0.578 152 G N 1.533 110.423 108.800 0.151 0.000 2.273 152 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.280 152 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.280 152 G C 0.162 175.126 174.900 0.107 0.000 1.047 152 G CA 0.036 45.208 45.100 0.119 0.000 0.869 152 G HN 0.642 nan 8.290 nan 0.000 0.502 153 A N -0.523 122.228 122.820 -0.115 0.000 2.350 153 A HA 0.641 4.961 4.320 -0.000 0.000 0.293 153 A C 0.880 178.359 177.584 -0.175 0.000 1.231 153 A CA 0.270 52.039 52.037 -0.446 0.000 0.883 153 A CB 0.122 18.502 19.000 -1.034 0.000 1.133 153 A HN 0.513 nan 8.150 nan 0.000 0.533 154 N N 1.811 120.480 118.700 -0.051 0.000 2.236 154 N HA 0.162 4.902 4.740 -0.000 0.000 0.196 154 N C 1.178 176.682 175.510 -0.010 0.000 1.114 154 N CA 0.383 53.425 53.050 -0.014 0.000 0.859 154 N CB 0.662 39.167 38.487 0.029 0.000 0.982 154 N HN 0.705 nan 8.380 nan 0.000 0.493 155 G N 0.245 109.032 108.800 -0.021 0.000 2.624 155 G HA2 0.220 4.180 3.960 -0.000 0.000 0.217 155 G HA3 0.220 4.180 3.960 -0.000 0.000 0.217 155 G C -0.105 174.780 174.900 -0.024 0.000 1.506 155 G CA -0.434 44.668 45.100 0.004 0.000 1.072 155 G HN -0.041 nan 8.290 nan 0.000 0.568 156 V N -0.527 119.379 119.914 -0.013 0.000 2.694 156 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 156 V C 0.279 176.344 176.094 -0.048 0.000 1.054 156 V CA 0.004 62.289 62.300 -0.025 0.000 1.161 156 V CB 0.496 32.309 31.823 -0.016 0.000 0.916 156 V HN 0.688 nan 8.190 nan 0.000 0.490 157 C N 7.430 126.706 119.300 -0.040 0.000 2.516 157 C HA 0.783 5.243 4.460 -0.000 0.000 0.338 157 C C -0.504 174.474 174.990 -0.020 0.000 1.132 157 C CA -0.756 58.238 59.018 -0.040 0.000 1.310 157 C CB 0.491 28.204 27.740 -0.046 0.000 1.898 157 C HN 1.122 nan 8.230 nan 0.000 0.452 158 K N 3.211 123.605 120.400 -0.011 0.000 2.617 158 K HA 0.737 5.057 4.320 -0.000 0.000 0.293 158 K C -1.523 175.087 176.600 0.016 0.000 1.034 158 K CA -0.428 55.861 56.287 0.002 0.000 0.884 158 K CB 1.367 33.864 32.500 -0.006 0.000 1.541 158 K HN 0.513 nan 8.250 nan 0.000 0.409 159 S N 0.462 116.178 115.700 0.027 0.000 2.532 159 S HA 0.689 5.159 4.470 -0.000 0.000 0.301 159 S C -0.897 173.720 174.600 0.028 0.000 1.083 159 S CA -0.899 57.326 58.200 0.042 0.000 1.025 159 S CB 0.639 63.880 63.200 0.069 0.000 1.056 159 S HN 0.498 nan 8.310 nan 0.000 0.494 160 I N 3.632 124.218 120.570 0.028 0.000 2.509 160 I HA 0.443 4.613 4.170 -0.000 0.000 0.293 160 I C -0.644 175.478 176.117 0.008 0.000 1.020 160 I CA -0.822 60.485 61.300 0.012 0.000 1.088 160 I CB 2.094 40.100 38.000 0.009 0.000 1.267 160 I HN 0.512 nan 8.210 nan 0.000 0.430 161 N N 3.719 122.410 118.700 -0.015 0.000 2.491 161 N HA 0.345 5.085 4.740 -0.000 0.000 0.274 161 N C -0.592 174.843 175.510 -0.125 0.000 1.023 161 N CA -0.345 52.689 53.050 -0.027 0.000 0.902 161 N CB 1.434 39.924 38.487 0.004 0.000 1.267 161 N HN 0.690 nan 8.380 nan 0.000 0.503 162 T N 1.156 115.606 114.554 -0.175 0.000 3.633 162 T HA 0.602 4.952 4.350 -0.000 0.000 0.278 162 T C 0.748 175.362 174.700 -0.144 0.000 0.991 162 T CA 0.206 62.004 62.100 -0.503 0.000 1.036 162 T CB -0.077 68.489 68.868 -0.505 0.000 1.148 162 T HN 0.650 nan 8.240 nan 0.000 0.501 163 A N 0.953 123.794 122.820 0.035 0.000 5.391 163 A HA -0.325 3.995 4.320 -0.000 0.000 0.315 163 A C 1.969 179.649 177.584 0.161 0.000 1.874 163 A CA 1.447 53.599 52.037 0.193 0.000 0.714 163 A CB -2.045 17.180 19.000 0.375 0.000 1.335 163 A HN 1.189 nan 8.150 nan 0.000 0.382 164 C N -0.224 119.199 119.300 0.205 0.000 2.422 164 C HA 0.223 4.683 4.460 -0.000 0.000 0.286 164 C C 2.727 177.775 174.990 0.097 0.000 1.412 164 C CA 1.199 60.339 59.018 0.203 0.000 1.786 164 C CB -1.534 26.389 27.740 0.304 0.000 1.835 164 C HN 0.681 nan 8.230 nan 0.000 0.533 165 S N 0.843 116.566 115.700 0.038 0.000 2.575 165 S HA -0.010 4.460 4.470 -0.000 0.000 0.215 165 S C 1.885 176.493 174.600 0.014 0.000 0.966 165 S CA 0.319 58.517 58.200 -0.003 0.000 0.911 165 S CB -0.138 63.071 63.200 0.014 0.000 0.780 165 S HN 0.698 nan 8.310 nan 0.000 0.514 166 S N 2.573 118.285 115.700 0.021 0.000 2.380 166 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 166 S C 2.178 176.793 174.600 0.026 0.000 1.050 166 S CA 2.064 60.275 58.200 0.017 0.000 1.100 166 S CB -0.589 62.633 63.200 0.035 0.000 0.984 166 S HN 0.796 nan 8.310 nan 0.000 0.434 167 S N 1.337 117.061 115.700 0.040 0.000 2.489 167 S HA 0.089 4.559 4.470 -0.000 0.000 0.228 167 S C 1.483 176.091 174.600 0.014 0.000 0.995 167 S CA 0.562 58.782 58.200 0.034 0.000 0.934 167 S CB -0.338 62.893 63.200 0.052 0.000 0.771 167 S HN 0.316 nan 8.310 nan 0.000 0.522 168 N N 2.400 121.109 118.700 0.014 0.000 2.106 168 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 168 N C 1.259 176.746 175.510 -0.038 0.000 1.029 168 N CA 1.430 54.481 53.050 0.001 0.000 0.848 168 N CB -0.439 38.055 38.487 0.012 0.000 1.007 168 N HN 0.352 nan 8.380 nan 0.000 0.423 169 D N 0.184 120.598 120.400 0.022 0.000 2.144 169 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 169 D C 1.685 177.931 176.300 -0.090 0.000 0.984 169 D CA 0.982 55.001 54.000 0.031 0.000 0.834 169 D CB -0.178 40.687 40.800 0.109 0.000 0.955 169 D HN 0.270 nan 8.370 nan 0.000 0.465 170 A N 1.018 123.810 122.820 -0.047 0.000 1.877 170 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 170 A C 2.377 179.917 177.584 -0.073 0.000 1.186 170 A CA 0.965 52.979 52.037 -0.038 0.000 0.620 170 A CB -0.727 18.273 19.000 0.001 0.000 0.822 170 A HN 0.175 nan 8.150 nan 0.000 0.443 171 I N -0.340 120.177 120.570 -0.088 0.000 2.226 171 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 171 I C 2.720 178.733 176.117 -0.173 0.000 1.100 171 I CA 1.083 62.335 61.300 -0.080 0.000 1.374 171 I CB -0.665 37.312 38.000 -0.039 0.000 1.057 171 I HN 0.400 nan 8.210 nan 0.000 0.413 172 G N 0.320 108.825 108.800 -0.493 0.000 2.446 172 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.217 172 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.217 172 G C 1.289 175.922 174.900 -0.445 0.000 1.168 172 G CA 1.354 45.822 45.100 -1.054 0.000 0.771 172 G HN 0.325 nan 8.290 nan 0.000 0.551 173 D N 0.526 120.755 120.400 -0.284 0.000 2.097 173 D HA 0.030 4.670 4.640 -0.000 0.000 0.195 173 D C 2.769 179.072 176.300 0.005 0.000 0.989 173 D CA 1.413 55.388 54.000 -0.041 0.000 0.827 173 D CB -0.349 40.441 40.800 -0.016 0.000 0.966 173 D HN 0.240 nan 8.370 nan 0.000 0.456 174 A N -0.184 122.642 122.820 0.009 0.000 1.877 174 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 174 A C 2.177 179.819 177.584 0.097 0.000 1.186 174 A CA 1.487 53.553 52.037 0.049 0.000 0.620 174 A CB -1.223 17.806 19.000 0.048 0.000 0.822 174 A HN 0.436 nan 8.150 nan 0.000 0.443 175 F N 0.837 120.767 119.950 -0.033 0.000 2.069 175 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 175 F C 2.323 178.180 175.800 0.094 0.000 1.113 175 F CA 2.068 60.070 58.000 0.003 0.000 1.214 175 F CB -0.287 38.678 39.000 -0.058 0.000 0.978 175 F HN 0.054 nan 8.300 nan 0.000 0.474 176 R N 0.418 120.763 120.500 -0.260 0.000 2.081 176 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 176 R C 2.511 178.877 176.300 0.109 0.000 1.131 176 R CA 1.343 57.354 56.100 -0.147 0.000 0.960 176 R CB -1.247 29.089 30.300 0.061 0.000 0.856 176 R HN 0.343 nan 8.270 nan 0.000 0.436 177 S N 1.057 116.817 115.700 0.100 0.000 2.356 177 S HA -0.074 4.396 4.470 -0.000 0.000 0.223 177 S C 2.076 176.804 174.600 0.214 0.000 1.032 177 S CA 1.103 59.430 58.200 0.212 0.000 1.005 177 S CB -0.143 63.131 63.200 0.123 0.000 0.867 177 S HN 0.202 nan 8.310 nan 0.000 0.449 178 I N 1.269 121.889 120.570 0.084 0.000 2.202 178 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 178 I C 2.482 178.583 176.117 -0.027 0.000 1.091 178 I CA 1.178 62.500 61.300 0.037 0.000 1.368 178 I CB -0.302 37.715 38.000 0.029 0.000 1.058 178 I HN 0.244 nan 8.210 nan 0.000 0.410 179 K N 1.138 121.464 120.400 -0.124 0.000 2.074 179 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 179 K C 1.576 177.965 176.600 -0.352 0.000 1.048 179 K CA 1.853 57.969 56.287 -0.286 0.000 0.926 179 K CB -0.130 32.036 32.500 -0.556 0.000 0.713 179 K HN 0.173 nan 8.250 nan 0.000 0.444 180 F N -0.074 119.828 119.950 -0.081 0.000 2.732 180 F HA 0.252 4.779 4.527 -0.000 0.000 0.303 180 F C 1.255 176.889 175.800 -0.277 0.000 1.110 180 F CA 0.536 58.488 58.000 -0.081 0.000 1.355 180 F CB 0.885 39.934 39.000 0.082 0.000 1.081 180 F HN 0.315 nan 8.300 nan 0.000 0.565 181 G N -0.412 108.317 108.800 -0.119 0.000 2.136 181 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.242 181 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.242 181 G C 0.794 175.527 174.900 -0.277 0.000 0.989 181 G CA 0.225 45.196 45.100 -0.214 0.000 0.682 181 G HN 0.406 nan 8.290 nan 0.000 0.522 182 F N 0.136 120.112 119.950 0.044 0.000 2.512 182 F HA 0.302 4.829 4.527 -0.000 0.000 0.296 182 F C 1.591 177.404 175.800 0.022 0.000 1.110 182 F CA 1.014 59.033 58.000 0.032 0.000 1.446 182 F CB 0.297 39.316 39.000 0.031 0.000 1.092 182 F HN 0.141 nan 8.300 nan 0.000 0.554 183 Q N -0.402 119.496 119.800 0.164 0.000 2.456 183 Q HA 0.204 4.543 4.340 -0.000 0.000 0.284 183 Q C -0.373 175.647 176.000 0.033 0.000 1.061 183 Q CA -0.331 55.532 55.803 0.098 0.000 0.799 183 Q CB 2.077 30.877 28.738 0.104 0.000 1.445 183 Q HN 0.008 nan 8.270 nan 0.000 0.411 184 D N -0.511 119.879 120.400 -0.017 0.000 2.431 184 D HA 0.160 4.800 4.640 -0.000 0.000 0.227 184 D C 0.116 176.275 176.300 -0.235 0.000 1.030 184 D CA 0.672 54.602 54.000 -0.117 0.000 0.897 184 D CB 1.423 42.131 40.800 -0.154 0.000 1.058 184 D HN 0.122 nan 8.370 nan 0.000 0.500 185 V N 1.853 121.662 119.914 -0.174 0.000 2.760 185 V HA 0.466 4.586 4.120 -0.000 0.000 0.309 185 V C -0.615 175.548 176.094 0.115 0.000 1.077 185 V CA -0.619 61.596 62.300 -0.142 0.000 0.910 185 V CB 2.702 34.318 31.823 -0.345 0.000 1.008 185 V HN -0.045 nan 8.190 nan 0.000 0.424 186 M N 4.710 124.375 119.600 0.108 0.000 2.378 186 M HA 0.524 5.004 4.480 -0.000 0.000 0.289 186 M C -1.287 175.087 176.300 0.123 0.000 1.136 186 M CA -0.349 55.035 55.300 0.139 0.000 0.917 186 M CB 2.282 34.926 32.600 0.074 0.000 1.669 186 M HN 0.454 nan 8.290 nan 0.000 0.461 187 L N 3.005 124.300 121.223 0.120 0.000 2.255 187 L HA 0.681 5.021 4.340 -0.000 0.000 0.289 187 L C -0.795 176.091 176.870 0.026 0.000 1.046 187 L CA -0.616 54.257 54.840 0.055 0.000 0.816 187 L CB 1.314 43.382 42.059 0.015 0.000 1.197 187 L HN 0.523 nan 8.230 nan 0.000 0.427 188 V N 4.255 124.189 119.914 0.033 0.000 2.888 188 V HA 0.997 5.117 4.120 -0.000 0.000 0.309 188 V C -0.217 175.902 176.094 0.041 0.000 1.114 188 V CA 0.427 62.747 62.300 0.033 0.000 0.940 188 V CB 1.810 33.653 31.823 0.033 0.000 1.021 188 V HN 0.852 nan 8.190 nan 0.000 0.426 189 G N 3.642 112.468 108.800 0.043 0.000 2.485 189 G HA2 0.692 4.652 3.960 -0.000 0.000 0.182 189 G HA3 0.692 4.652 3.960 -0.000 0.000 0.182 189 G C -0.240 174.697 174.900 0.062 0.000 1.172 189 G CA 0.201 45.331 45.100 0.051 0.000 0.996 189 G HN 1.683 nan 8.290 nan 0.000 0.496 190 G N -1.799 107.050 108.800 0.081 0.000 2.660 190 G HA2 0.728 4.688 3.960 -0.000 0.000 0.290 190 G HA3 0.728 4.688 3.960 -0.000 0.000 0.290 190 G C -1.458 173.523 174.900 0.136 0.000 1.432 190 G CA 0.664 45.826 45.100 0.104 0.000 0.807 190 G HN 1.325 nan 8.290 nan 0.000 0.485 191 T N -1.042 113.618 114.554 0.177 0.000 2.894 191 T HA 0.675 5.025 4.350 -0.000 0.000 0.309 191 T C -1.875 172.990 174.700 0.274 0.000 1.208 191 T CA -0.401 61.839 62.100 0.234 0.000 1.016 191 T CB 2.240 71.241 68.868 0.222 0.000 1.192 191 T HN 0.718 nan 8.240 nan 0.000 0.491 192 E N 0.977 121.358 120.200 0.302 0.000 2.354 192 E HA 0.684 5.034 4.350 -0.000 0.000 0.283 192 E C -1.510 175.279 176.600 0.314 0.000 0.938 192 E CA -0.466 56.089 56.400 0.259 0.000 0.777 192 E CB 1.895 31.699 29.700 0.174 0.000 1.222 192 E HN 0.810 nan 8.360 nan 0.000 0.423 193 A N 2.701 125.662 122.820 0.235 0.000 3.266 193 A HA 0.419 4.739 4.320 -0.000 0.000 0.310 193 A C -0.171 177.506 177.584 0.155 0.000 1.066 193 A CA -0.007 52.162 52.037 0.220 0.000 0.839 193 A CB -0.009 18.995 19.000 0.007 0.000 1.192 193 A HN 0.544 nan 8.150 nan 0.000 0.496 194 S N 0.009 115.814 115.700 0.176 0.000 2.664 194 S HA 0.301 4.771 4.470 -0.000 0.000 0.245 194 S C 0.134 174.847 174.600 0.188 0.000 1.019 194 S CA -0.067 58.234 58.200 0.169 0.000 0.996 194 S CB -0.649 62.663 63.200 0.187 0.000 0.878 194 S HN 0.473 nan 8.310 nan 0.000 0.493 195 I N 4.024 124.712 120.570 0.197 0.000 2.213 195 I HA 0.216 4.385 4.170 -0.000 0.000 0.295 195 I C 0.503 176.801 176.117 0.300 0.000 1.172 195 I CA 0.071 61.515 61.300 0.240 0.000 1.443 195 I CB -0.392 37.724 38.000 0.193 0.000 1.491 195 I HN 0.392 nan 8.210 nan 0.000 0.652 196 T N 1.139 115.801 114.554 0.180 0.000 2.901 196 T HA 0.438 4.788 4.350 -0.000 0.000 0.293 196 T C -2.301 172.106 174.700 -0.489 0.000 1.084 196 T CA -2.003 60.059 62.100 -0.064 0.000 1.008 196 T CB 2.315 71.196 68.868 0.022 0.000 1.170 196 T HN -0.086 nan 8.240 nan 0.000 0.509 197 P HA -0.033 nan 4.420 nan 0.000 0.215 197 P C 1.213 178.445 177.300 -0.113 0.000 1.153 197 P CA 0.735 63.361 63.100 -0.790 0.000 0.853 197 P CB -0.107 31.320 31.700 -0.454 0.000 0.788 198 F N 0.706 120.568 119.950 -0.146 0.000 2.075 198 F HA -0.141 4.385 4.527 -0.001 0.000 0.297 198 F C 2.185 177.967 175.800 -0.030 0.000 1.113 198 F CA 1.724 59.684 58.000 -0.067 0.000 1.218 198 F CB -1.017 37.937 39.000 -0.077 0.000 0.984 198 F HN -0.145 nan 8.300 nan 0.000 0.472 199 A N 0.811 123.531 122.820 -0.166 0.000 1.898 199 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 199 A C 2.244 179.814 177.584 -0.023 0.000 1.181 199 A CA 1.675 53.608 52.037 -0.174 0.000 0.620 199 A CB -1.003 18.067 19.000 0.117 0.000 0.819 199 A HN 0.431 nan 8.150 nan 0.000 0.442 200 I N -0.007 120.607 120.570 0.073 0.000 2.252 200 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 200 I C 2.959 179.182 176.117 0.177 0.000 1.102 200 I CA 1.443 62.853 61.300 0.183 0.000 1.385 200 I CB -1.557 36.585 38.000 0.236 0.000 1.064 200 I HN 0.369 nan 8.210 nan 0.000 0.414 201 A N 1.097 124.018 122.820 0.168 0.000 1.908 201 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 201 A C 2.512 179.981 177.584 -0.192 0.000 1.181 201 A CA 1.990 54.033 52.037 0.010 0.000 0.627 201 A CB -1.355 17.590 19.000 -0.092 0.000 0.818 201 A HN 0.431 nan 8.150 nan 0.000 0.445 202 G N -1.321 107.226 108.800 -0.421 0.000 2.421 202 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 202 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 202 G C 1.425 176.089 174.900 -0.393 0.000 1.171 202 G CA 1.092 45.866 45.100 -0.543 0.000 0.775 202 G HN 0.475 nan 8.290 nan 0.000 0.543 203 F N 0.608 120.438 119.950 -0.201 0.000 2.234 203 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 203 F C 2.924 178.622 175.800 -0.169 0.000 1.087 203 F CA 1.419 59.316 58.000 -0.172 0.000 1.340 203 F CB 0.006 38.917 39.000 -0.149 0.000 1.031 203 F HN 0.187 nan 8.300 nan 0.000 0.500 204 Q N 0.666 120.481 119.800 0.025 0.000 2.079 204 Q HA -0.178 4.161 4.340 -0.000 0.000 0.200 204 Q C 2.348 178.319 176.000 -0.047 0.000 0.974 204 Q CA 1.413 57.208 55.803 -0.014 0.000 0.840 204 Q CB -0.225 28.525 28.738 0.020 0.000 0.898 204 Q HN 0.366 nan 8.270 nan 0.000 0.430 205 A N 0.868 123.638 122.820 -0.085 0.000 1.933 205 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 205 A C 1.933 179.476 177.584 -0.067 0.000 1.175 205 A CA 1.210 53.192 52.037 -0.092 0.000 0.628 205 A CB -0.606 18.319 19.000 -0.126 0.000 0.814 205 A HN 0.485 nan 8.150 nan 0.000 0.444 206 L N 0.354 121.535 121.223 -0.070 0.000 2.465 206 L HA -0.003 4.337 4.340 -0.000 0.000 0.224 206 L C 1.419 178.296 176.870 0.012 0.000 1.145 206 L CA 2.264 57.082 54.840 -0.037 0.000 0.834 206 L CB -0.848 41.177 42.059 -0.057 0.000 0.944 206 L HN 0.943 nan 8.230 nan 0.000 0.451 207 T N -5.241 109.315 114.554 0.003 0.000 4.358 207 T HA -0.281 4.069 4.350 -0.000 0.000 0.326 207 T C 0.889 175.608 174.700 0.031 0.000 0.793 207 T CA 0.916 63.021 62.100 0.009 0.000 1.973 207 T CB -2.529 66.346 68.868 0.013 0.000 1.915 207 T HN 0.606 nan 8.240 nan 0.000 0.920 208 A N -0.020 122.823 122.820 0.038 0.000 2.195 208 A HA 0.662 4.981 4.320 -0.000 0.000 0.210 208 A C 1.085 178.567 177.584 -0.170 0.000 1.165 208 A CA 0.274 52.359 52.037 0.080 0.000 0.806 208 A CB 0.194 19.368 19.000 0.290 0.000 0.847 208 A HN 0.767 nan 8.150 nan 0.000 0.482 209 L N -0.078 120.971 121.223 -0.290 0.000 2.343 209 L HA 0.379 4.719 4.340 -0.000 0.000 0.275 209 L C 0.702 177.458 176.870 -0.190 0.000 1.056 209 L CA -0.604 53.981 54.840 -0.425 0.000 0.804 209 L CB 1.581 43.404 42.059 -0.393 0.000 1.203 209 L HN 0.129 nan 8.230 nan 0.000 0.440 210 S N 0.031 115.636 115.700 -0.158 0.000 2.549 210 S HA 0.092 4.562 4.470 -0.000 0.000 0.283 210 S C 0.856 175.414 174.600 -0.070 0.000 1.320 210 S CA -0.226 57.929 58.200 -0.075 0.000 1.058 210 S CB 0.486 63.657 63.200 -0.049 0.000 0.882 210 S HN 0.762 nan 8.310 nan 0.000 0.498 211 T N 1.227 115.759 114.554 -0.037 0.000 3.176 211 T HA 0.211 4.561 4.350 -0.000 0.000 0.263 211 T C 0.398 175.107 174.700 0.016 0.000 1.021 211 T CA -0.423 61.666 62.100 -0.019 0.000 0.905 211 T CB -0.352 68.512 68.868 -0.006 0.000 1.057 211 T HN 0.515 nan 8.240 nan 0.000 0.558 212 T N 3.174 117.731 114.554 0.005 0.000 2.829 212 T HA 0.103 4.453 4.350 -0.000 0.000 0.293 212 T C 1.249 175.968 174.700 0.032 0.000 0.970 212 T CA 0.023 62.131 62.100 0.014 0.000 1.168 212 T CB 1.176 70.042 68.868 -0.004 0.000 0.911 212 T HN 0.328 nan 8.240 nan 0.000 0.535 213 E N 2.673 122.901 120.200 0.047 0.000 2.031 213 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 213 E C 0.761 177.375 176.600 0.023 0.000 0.994 213 E CA 0.943 57.377 56.400 0.056 0.000 0.800 213 E CB -0.045 29.678 29.700 0.039 0.000 0.752 213 E HN 0.628 nan 8.360 nan 0.000 0.447 214 D N 0.442 120.846 120.400 0.006 0.000 2.382 214 D HA -0.023 4.617 4.640 -0.000 0.000 0.259 214 D C -1.721 174.569 176.300 -0.015 0.000 1.224 214 D CA -1.658 52.337 54.000 -0.008 0.000 0.894 214 D CB 1.168 41.960 40.800 -0.013 0.000 1.127 214 D HN 0.067 nan 8.370 nan 0.000 0.487 215 P HA -0.108 nan 4.420 nan 0.000 0.226 215 P C 1.002 178.277 177.300 -0.042 0.000 1.153 215 P CA 0.902 63.984 63.100 -0.030 0.000 0.777 215 P CB -0.060 31.621 31.700 -0.033 0.000 0.794 216 T N -3.836 110.691 114.554 -0.044 0.000 3.085 216 T HA 0.092 4.442 4.350 -0.000 0.000 0.263 216 T C 1.562 176.227 174.700 -0.060 0.000 1.127 216 T CA 0.398 62.462 62.100 -0.060 0.000 1.103 216 T CB -0.283 68.553 68.868 -0.053 0.000 0.921 216 T HN -0.027 nan 8.240 nan 0.000 0.510 217 R N -0.205 120.268 120.500 -0.045 0.000 2.565 217 R HA 0.549 4.889 4.340 -0.000 0.000 0.347 217 R C 1.816 178.096 176.300 -0.034 0.000 1.010 217 R CA 0.537 56.612 56.100 -0.041 0.000 1.126 217 R CB 0.212 30.493 30.300 -0.032 0.000 1.331 217 R HN 0.468 nan 8.270 nan 0.000 0.552 218 A N 0.593 123.394 122.820 -0.032 0.000 1.903 218 A HA 0.041 4.361 4.320 -0.000 0.000 0.213 218 A C 1.204 178.776 177.584 -0.020 0.000 1.185 218 A CA 0.837 52.859 52.037 -0.025 0.000 0.628 218 A CB 0.180 19.165 19.000 -0.025 0.000 0.830 218 A HN 0.096 nan 8.150 nan 0.000 0.446 219 S N 0.671 116.358 115.700 -0.023 0.000 2.466 219 S HA 0.540 5.010 4.470 -0.000 0.000 0.313 219 S C -0.262 174.319 174.600 -0.032 0.000 1.078 219 S CA -0.609 57.584 58.200 -0.013 0.000 1.115 219 S CB -0.533 62.668 63.200 0.002 0.000 1.006 219 S HN 0.488 nan 8.310 nan 0.000 0.487 220 I N 2.167 122.717 120.570 -0.033 0.000 2.925 220 I HA 0.469 4.639 4.170 -0.000 0.000 0.296 220 I C -2.945 173.151 176.117 -0.035 0.000 1.413 220 I CA -2.634 58.644 61.300 -0.036 0.000 0.932 220 I CB 0.950 38.922 38.000 -0.047 0.000 1.873 220 I HN 0.214 nan 8.210 nan 0.000 0.619 221 P HA 0.135 nan 4.420 nan 0.000 0.262 221 P C -0.098 177.208 177.300 0.010 0.000 1.182 221 P CA 0.684 63.703 63.100 -0.135 0.000 0.761 221 P CB 0.060 31.686 31.700 -0.124 0.000 0.795 222 F N -1.558 118.370 119.950 -0.037 0.000 2.502 222 F HA -0.248 4.279 4.527 0.000 0.000 0.480 222 F C 0.919 176.643 175.800 -0.128 0.000 0.543 222 F CA 0.808 58.769 58.000 -0.065 0.000 1.350 222 F CB -1.441 37.530 39.000 -0.048 0.000 1.999 222 F HN 0.311 nan 8.300 nan 0.000 0.267 223 D N 2.253 122.653 120.400 -0.000 0.000 2.382 223 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 223 D C 1.207 177.465 176.300 -0.069 0.000 1.120 223 D CA 0.539 54.492 54.000 -0.078 0.000 0.890 223 D CB 1.040 41.788 40.800 -0.086 0.000 1.201 223 D HN 0.494 nan 8.370 nan 0.000 0.433 224 K N 1.972 122.318 120.400 -0.089 0.000 2.280 224 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 224 K C 0.386 176.970 176.600 -0.026 0.000 1.047 224 K CA 1.059 57.309 56.287 -0.062 0.000 0.942 224 K CB 0.257 32.717 32.500 -0.066 0.000 0.739 224 K HN 0.218 nan 8.250 nan 0.000 0.457 225 D N 1.623 122.002 120.400 -0.034 0.000 2.349 225 D HA -0.015 4.625 4.640 -0.000 0.000 0.214 225 D C 0.098 176.389 176.300 -0.015 0.000 1.063 225 D CA 0.031 54.019 54.000 -0.020 0.000 0.847 225 D CB 0.048 40.832 40.800 -0.026 0.000 0.933 225 D HN 0.348 nan 8.370 nan 0.000 0.513 226 R N 1.609 122.097 120.500 -0.019 0.000 2.640 226 R HA 0.030 4.370 4.340 -0.000 0.000 0.270 226 R C 0.120 176.421 176.300 0.002 0.000 1.024 226 R CA 0.456 56.546 56.100 -0.016 0.000 1.085 226 R CB -0.376 29.906 30.300 -0.031 0.000 0.963 226 R HN 0.064 nan 8.270 nan 0.000 0.426 227 N N 1.046 119.747 118.700 0.003 0.000 2.471 227 N HA 0.262 5.002 4.740 -0.000 0.000 0.270 227 N C -0.520 174.996 175.510 0.009 0.000 1.490 227 N CA -0.384 52.672 53.050 0.010 0.000 0.850 227 N CB 1.357 39.846 38.487 0.004 0.000 1.411 227 N HN 0.933 nan 8.380 nan 0.000 0.488 228 G N 0.786 109.601 108.800 0.025 0.000 2.357 228 G HA2 0.078 4.038 3.960 -0.000 0.000 0.643 228 G HA3 0.078 4.038 3.960 -0.000 0.000 0.643 228 G C -0.858 174.076 174.900 0.057 0.000 1.358 228 G CA -0.912 44.209 45.100 0.036 0.000 0.986 228 G HN 0.321 nan 8.290 nan 0.000 0.620 229 F N -0.358 119.604 119.950 0.021 0.000 2.370 229 F HA 0.825 5.352 4.527 0.001 0.000 0.319 229 F C 0.136 175.935 175.800 -0.002 0.000 1.129 229 F CA -1.376 56.626 58.000 0.003 0.000 1.109 229 F CB 1.339 40.365 39.000 0.043 0.000 1.262 229 F HN 0.402 nan 8.300 nan 0.000 0.534 230 V N 4.456 124.526 119.914 0.260 0.000 2.384 230 V HA 0.223 4.343 4.120 -0.000 0.000 0.287 230 V C 0.179 176.455 176.094 0.303 0.000 1.020 230 V CA -0.854 61.519 62.300 0.122 0.000 0.850 230 V CB 1.331 33.194 31.823 0.065 0.000 0.987 230 V HN 0.959 nan 8.190 nan 0.000 0.436 231 M N 3.846 123.562 119.600 0.194 0.000 2.239 231 M HA 0.459 4.939 4.480 -0.000 0.000 0.348 231 M C 0.573 176.970 176.300 0.162 0.000 1.239 231 M CA 0.446 55.899 55.300 0.254 0.000 1.114 231 M CB 0.584 33.286 32.600 0.170 0.000 1.641 231 M HN 0.822 nan 8.290 nan 0.000 0.453 232 G N 3.298 112.193 108.800 0.157 0.000 2.788 232 G HA2 0.714 4.674 3.960 -0.000 0.000 0.293 232 G HA3 0.714 4.674 3.960 -0.000 0.000 0.293 232 G C -1.711 173.261 174.900 0.120 0.000 1.305 232 G CA -0.624 44.550 45.100 0.124 0.000 1.005 232 G HN 0.790 nan 8.290 nan 0.000 0.496 233 E N -2.076 118.187 120.200 0.105 0.000 2.433 233 E HA 0.735 5.085 4.350 -0.000 0.000 0.278 233 E C -0.177 176.440 176.600 0.029 0.000 0.976 233 E CA -0.670 55.807 56.400 0.128 0.000 0.793 233 E CB 1.978 31.795 29.700 0.195 0.000 1.311 233 E HN 1.756 nan 8.360 nan 0.000 0.460 234 G N 0.046 108.869 108.800 0.039 0.000 2.325 234 G HA2 0.319 4.279 3.960 -0.000 0.000 0.285 234 G HA3 0.319 4.279 3.960 -0.000 0.000 0.285 234 G C -1.292 173.674 174.900 0.110 0.000 1.303 234 G CA -0.304 44.713 45.100 -0.138 0.000 0.970 234 G HN 0.908 nan 8.290 nan 0.000 0.490 235 S N -1.418 114.339 115.700 0.095 0.000 2.533 235 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 235 S C -0.138 174.527 174.600 0.109 0.000 1.143 235 S CA 0.661 58.953 58.200 0.155 0.000 0.891 235 S CB 1.408 64.751 63.200 0.239 0.000 1.105 235 S HN 2.223 nan 8.310 nan 0.000 0.468 236 G N 3.360 112.204 108.800 0.073 0.000 2.470 236 G HA2 0.666 4.626 3.960 -0.000 0.000 0.320 236 G HA3 0.666 4.626 3.960 -0.000 0.000 0.320 236 G C -1.064 173.870 174.900 0.056 0.000 1.245 236 G CA -0.501 44.608 45.100 0.016 0.000 0.935 236 G HN 0.537 nan 8.290 nan 0.000 0.476 237 M N 1.812 121.456 119.600 0.074 0.000 2.326 237 M HA 0.475 4.955 4.480 -0.000 0.000 0.292 237 M C -1.409 174.943 176.300 0.086 0.000 1.081 237 M CA -0.686 54.659 55.300 0.075 0.000 0.919 237 M CB 1.890 34.536 32.600 0.077 0.000 1.634 237 M HN 0.228 nan 8.290 nan 0.000 0.451 238 L N 2.358 123.622 121.223 0.068 0.000 2.333 238 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 238 L C -0.323 176.574 176.870 0.044 0.000 1.010 238 L CA -0.721 54.168 54.840 0.082 0.000 0.818 238 L CB 1.992 44.099 42.059 0.080 0.000 1.306 238 L HN 0.400 nan 8.230 nan 0.000 0.430 239 V N 3.743 123.674 119.914 0.029 0.000 2.347 239 V HA 0.442 4.562 4.120 -0.000 0.000 0.280 239 V C -0.064 176.035 176.094 0.007 0.000 1.021 239 V CA -0.470 61.828 62.300 -0.005 0.000 0.847 239 V CB 1.198 32.988 31.823 -0.055 0.000 0.990 239 V HN 0.449 nan 8.190 nan 0.000 0.444 240 L N 5.078 126.314 121.223 0.022 0.000 2.325 240 L HA 0.713 5.053 4.340 -0.000 0.000 0.278 240 L C -0.069 176.799 176.870 -0.003 0.000 1.023 240 L CA -0.431 54.427 54.840 0.030 0.000 0.811 240 L CB 1.996 44.098 42.059 0.071 0.000 1.249 240 L HN 0.619 nan 8.230 nan 0.000 0.431 241 E N 0.467 120.660 120.200 -0.012 0.000 2.408 241 E HA 0.278 4.628 4.350 -0.000 0.000 0.275 241 E C -1.119 175.479 176.600 -0.004 0.000 0.935 241 E CA -0.698 55.678 56.400 -0.041 0.000 0.775 241 E CB 2.456 32.150 29.700 -0.012 0.000 1.277 241 E HN 0.649 nan 8.360 nan 0.000 0.455 242 S N 0.967 116.669 115.700 0.004 0.000 2.572 242 S HA 0.028 4.498 4.470 -0.000 0.000 0.279 242 S C 1.032 175.654 174.600 0.037 0.000 1.341 242 S CA -0.554 57.663 58.200 0.028 0.000 1.043 242 S CB 0.847 64.067 63.200 0.033 0.000 0.887 242 S HN 0.596 nan 8.310 nan 0.000 0.516 243 L N 1.606 122.843 121.223 0.023 0.000 2.042 243 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 243 L C 2.548 179.431 176.870 0.021 0.000 1.076 243 L CA 2.436 57.279 54.840 0.006 0.000 0.749 243 L CB -1.156 40.935 42.059 0.054 0.000 0.893 243 L HN 1.040 nan 8.230 nan 0.000 0.432 244 E N -1.627 118.595 120.200 0.037 0.000 2.085 244 E HA -0.327 4.023 4.350 -0.000 0.000 0.194 244 E C 2.267 178.881 176.600 0.024 0.000 0.994 244 E CA 1.341 57.758 56.400 0.028 0.000 0.801 244 E CB -0.442 29.274 29.700 0.026 0.000 0.743 244 E HN 0.731 nan 8.360 nan 0.000 0.453 245 H N -0.069 118.979 119.070 -0.037 0.000 2.387 245 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 245 H C 1.813 177.103 175.328 -0.064 0.000 1.090 245 H CA 1.668 57.688 56.048 -0.048 0.000 1.332 245 H CB 0.080 29.813 29.762 -0.049 0.000 1.386 245 H HN 0.316 nan 8.280 nan 0.000 0.516 246 A N 1.082 123.927 122.820 0.041 0.000 1.872 246 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 246 A C 2.360 179.893 177.584 -0.085 0.000 1.187 246 A CA 1.317 53.334 52.037 -0.034 0.000 0.614 246 A CB -0.376 18.577 19.000 -0.077 0.000 0.826 246 A HN 0.542 nan 8.150 nan 0.000 0.442 247 E N 0.113 120.277 120.200 -0.060 0.000 2.110 247 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 247 E C 1.938 178.501 176.600 -0.062 0.000 0.988 247 E CA 1.219 57.595 56.400 -0.039 0.000 0.804 247 E CB -0.176 29.528 29.700 0.007 0.000 0.745 247 E HN 0.553 nan 8.360 nan 0.000 0.458 248 K N 0.663 121.006 120.400 -0.096 0.000 2.147 248 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 248 K C 2.149 178.663 176.600 -0.142 0.000 1.049 248 K CA 1.133 57.349 56.287 -0.117 0.000 0.936 248 K CB -0.121 32.297 32.500 -0.137 0.000 0.722 248 K HN 0.152 nan 8.250 nan 0.000 0.446 249 R N -0.061 120.328 120.500 -0.184 0.000 2.334 249 R HA 0.103 4.443 4.340 -0.000 0.000 0.216 249 R C 0.660 176.896 176.300 -0.107 0.000 0.905 249 R CA 0.640 56.642 56.100 -0.163 0.000 1.064 249 R CB 0.108 30.279 30.300 -0.213 0.000 1.046 249 R HN 0.082 nan 8.270 nan 0.000 0.508 250 G N 1.010 109.757 108.800 -0.088 0.000 2.272 250 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.280 250 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.280 250 G C 0.240 175.101 174.900 -0.066 0.000 1.067 250 G CA 0.159 45.222 45.100 -0.061 0.000 0.902 250 G HN 0.705 nan 8.290 nan 0.000 0.500 251 A N -0.361 122.410 122.820 -0.082 0.000 2.366 251 A HA 0.721 5.041 4.320 -0.000 0.000 0.249 251 A C 0.889 178.415 177.584 -0.096 0.000 1.084 251 A CA 0.845 52.828 52.037 -0.089 0.000 0.794 251 A CB 0.472 19.414 19.000 -0.097 0.000 1.034 251 A HN 0.858 nan 8.150 nan 0.000 0.491 252 T N 2.207 116.702 114.554 -0.098 0.000 2.729 252 T HA 0.411 4.761 4.350 -0.000 0.000 0.296 252 T C 0.040 174.639 174.700 -0.167 0.000 0.928 252 T CA 0.330 62.369 62.100 -0.101 0.000 1.045 252 T CB -0.184 68.638 68.868 -0.077 0.000 0.902 252 T HN 0.377 nan 8.240 nan 0.000 0.500 253 I N 4.603 125.015 120.570 -0.263 0.000 2.325 253 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 253 I C 1.163 177.095 176.117 -0.308 0.000 1.019 253 I CA -0.351 60.665 61.300 -0.474 0.000 1.302 253 I CB 1.173 38.471 38.000 -1.169 0.000 1.401 253 I HN 0.598 nan 8.210 nan 0.000 0.485 254 L N 6.139 127.249 121.223 -0.188 0.000 2.249 254 L HA 0.389 4.729 4.340 -0.000 0.000 0.207 254 L C 0.879 177.752 176.870 0.004 0.000 1.090 254 L CA 0.266 55.070 54.840 -0.060 0.000 0.802 254 L CB -0.257 41.796 42.059 -0.010 0.000 0.947 254 L HN 0.771 nan 8.230 nan 0.000 0.453 255 A N -0.425 122.383 122.820 -0.020 0.000 2.490 255 A HA 0.495 4.815 4.320 -0.000 0.000 0.292 255 A C -1.616 176.021 177.584 0.089 0.000 1.047 255 A CA -0.564 51.536 52.037 0.106 0.000 0.632 255 A CB 1.184 20.241 19.000 0.095 0.000 1.323 255 A HN -0.003 nan 8.150 nan 0.000 0.448 256 E N 0.208 120.536 120.200 0.213 0.000 2.222 256 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 256 E C -1.488 175.216 176.600 0.175 0.000 0.884 256 E CA -0.636 55.877 56.400 0.188 0.000 0.764 256 E CB 1.966 31.846 29.700 0.300 0.000 1.169 256 E HN 0.507 nan 8.360 nan 0.000 0.413 257 V N 5.174 125.132 119.914 0.074 0.000 2.406 257 V HA 0.092 4.212 4.120 -0.000 0.000 0.272 257 V C 0.990 176.910 176.094 -0.290 0.000 1.043 257 V CA -0.109 62.058 62.300 -0.221 0.000 0.915 257 V CB 1.021 32.633 31.823 -0.352 0.000 0.988 257 V HN 0.700 nan 8.190 nan 0.000 0.466 258 V N 1.793 121.503 119.914 -0.340 0.000 3.604 258 V HA 0.720 4.840 4.120 -0.000 0.000 0.277 258 V C 0.624 176.636 176.094 -0.137 0.000 1.399 258 V CA 0.684 62.920 62.300 -0.107 0.000 1.034 258 V CB 0.358 32.253 31.823 0.119 0.000 0.824 258 V HN 0.867 nan 8.190 nan 0.000 0.439 259 G N -0.558 108.012 108.800 -0.383 0.000 2.720 259 G HA2 0.560 4.520 3.960 -0.000 0.000 0.295 259 G HA3 0.560 4.520 3.960 -0.000 0.000 0.295 259 G C -2.457 172.362 174.900 -0.134 0.000 1.437 259 G CA -0.610 44.413 45.100 -0.127 0.000 0.886 259 G HN 0.434 nan 8.290 nan 0.000 0.509 260 Y N 0.537 120.814 120.300 -0.039 0.000 2.401 260 Y HA 0.687 5.237 4.550 -0.000 0.000 0.330 260 Y C -0.298 175.630 175.900 0.048 0.000 1.071 260 Y CA -1.127 56.967 58.100 -0.011 0.000 1.049 260 Y CB 1.928 40.474 38.460 0.144 0.000 1.239 260 Y HN 0.924 nan 8.280 nan 0.000 0.437 261 G N 5.509 114.226 108.800 -0.139 0.000 2.530 261 G HA2 0.489 4.449 3.960 -0.000 0.000 0.316 261 G HA3 0.489 4.449 3.960 -0.000 0.000 0.316 261 G C -1.770 172.924 174.900 -0.344 0.000 1.298 261 G CA -1.079 43.868 45.100 -0.255 0.000 0.948 261 G HN 0.782 nan 8.290 nan 0.000 0.486 262 N N 0.531 118.991 118.700 -0.400 0.000 2.430 262 N HA 0.645 5.384 4.740 -0.000 0.000 0.290 262 N C -0.487 174.964 175.510 -0.099 0.000 1.063 262 N CA -0.633 52.285 53.050 -0.219 0.000 0.883 262 N CB 2.150 40.489 38.487 -0.247 0.000 1.465 262 N HN 0.608 nan 8.380 nan 0.000 0.493 263 T N -2.019 112.527 114.554 -0.013 0.000 2.778 263 T HA 0.642 4.992 4.350 -0.000 0.000 0.293 263 T C -1.076 173.645 174.700 0.036 0.000 1.144 263 T CA -0.758 61.341 62.100 -0.002 0.000 1.010 263 T CB 1.468 70.326 68.868 -0.017 0.000 1.325 263 T HN 0.734 nan 8.240 nan 0.000 0.515 264 C N 0.877 120.187 119.300 0.016 0.000 2.609 264 C HA 0.603 5.063 4.460 -0.000 0.000 0.313 264 C C 0.886 175.877 174.990 0.001 0.000 1.175 264 C CA -0.421 58.605 59.018 0.015 0.000 1.434 264 C CB 0.621 28.372 27.740 0.018 0.000 2.005 264 C HN 0.977 nan 8.230 nan 0.000 0.471 265 D N 2.809 123.216 120.400 0.011 0.000 2.178 265 D HA 0.035 4.675 4.640 -0.000 0.000 0.202 265 D C 1.642 178.008 176.300 0.109 0.000 0.974 265 D CA 1.755 55.781 54.000 0.044 0.000 0.841 265 D CB -0.160 40.710 40.800 0.116 0.000 0.953 265 D HN 1.152 nan 8.370 nan 0.000 0.478 266 A N -0.627 122.245 122.820 0.087 0.000 2.704 266 A HA -0.291 4.029 4.320 -0.000 0.000 0.299 266 A C 0.729 178.416 177.584 0.172 0.000 1.507 266 A CA 1.467 53.557 52.037 0.088 0.000 0.776 266 A CB -2.281 16.753 19.000 0.056 0.000 1.027 266 A HN 0.505 nan 8.150 nan 0.000 0.475 267 Y N -1.142 119.196 120.300 0.064 0.000 2.678 267 Y HA 0.410 4.960 4.550 -0.000 0.000 0.274 267 Y C 0.815 176.805 175.900 0.149 0.000 1.114 267 Y CA 1.314 59.481 58.100 0.113 0.000 1.274 267 Y CB 0.628 39.184 38.460 0.160 0.000 1.438 267 Y HN 0.712 nan 8.280 nan 0.000 0.493 268 H N -0.610 118.426 119.070 -0.057 0.000 3.068 268 H HA 0.253 4.809 4.556 -0.000 0.000 0.342 268 H C 0.195 175.540 175.328 0.029 0.000 1.284 268 H CA -0.260 55.704 56.048 -0.140 0.000 1.181 268 H CB 1.662 31.283 29.762 -0.235 0.000 1.898 268 H HN 0.280 nan 8.280 nan 0.000 0.540 269 M N 1.115 120.567 119.600 -0.247 0.000 2.159 269 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 269 M C 1.514 177.965 176.300 0.253 0.000 1.063 269 M CA 2.739 58.032 55.300 -0.011 0.000 1.110 269 M CB 0.049 32.581 32.600 -0.112 0.000 1.374 269 M HN 0.720 nan 8.290 nan 0.000 0.411 270 T N -5.765 109.080 114.554 0.486 0.000 2.966 270 T HA 0.217 4.567 4.350 -0.000 0.000 0.254 270 T C 0.623 175.624 174.700 0.502 0.000 0.961 270 T CA -0.383 62.054 62.100 0.562 0.000 0.915 270 T CB 0.175 69.300 68.868 0.429 0.000 1.186 270 T HN -0.008 nan 8.240 nan 0.000 0.505 271 S N 4.338 120.301 115.700 0.439 0.000 2.489 271 S HA 0.519 4.988 4.470 -0.000 0.000 0.277 271 S C -2.442 172.317 174.600 0.265 0.000 1.230 271 S CA -1.001 57.289 58.200 0.150 0.000 1.053 271 S CB 1.041 64.095 63.200 -0.244 0.000 0.955 271 S HN 0.357 nan 8.310 nan 0.000 0.488 272 P HA 0.087 nan 4.420 nan 0.000 0.274 272 P C -0.571 176.713 177.300 -0.027 0.000 1.237 272 P CA -0.367 62.782 63.100 0.082 0.000 0.793 272 P CB 0.286 31.985 31.700 -0.001 0.000 0.977 273 H N 3.917 122.829 119.070 -0.263 0.000 3.004 273 H HA 0.026 4.582 4.556 -0.000 0.000 0.316 273 H C -1.061 174.006 175.328 -0.435 0.000 1.014 273 H CA -0.642 54.999 56.048 -0.679 0.000 1.454 273 H CB 0.344 29.787 29.762 -0.533 0.000 1.472 273 H HN 0.248 nan 8.280 nan 0.000 0.571 274 P HA -0.177 nan 4.420 nan 0.000 0.218 274 P C 0.159 177.352 177.300 -0.179 0.000 1.148 274 P CA 1.349 64.229 63.100 -0.367 0.000 0.822 274 P CB 0.347 31.832 31.700 -0.357 0.000 0.784 275 E N -1.298 118.875 120.200 -0.045 0.000 2.465 275 E HA 0.336 4.686 4.350 -0.000 0.000 0.195 275 E C 1.158 177.799 176.600 0.069 0.000 1.028 275 E CA 0.310 56.751 56.400 0.069 0.000 0.899 275 E CB -0.685 29.072 29.700 0.094 0.000 1.032 275 E HN 0.158 nan 8.360 nan 0.000 0.468 276 G N 1.828 110.660 108.800 0.053 0.000 2.258 276 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.274 276 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.274 276 G C 0.938 175.709 174.900 -0.216 0.000 1.021 276 G CA 0.921 45.940 45.100 -0.136 0.000 0.798 276 G HN 0.436 nan 8.290 nan 0.000 0.507 277 Q N -0.490 119.095 119.800 -0.359 0.000 2.077 277 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 277 Q C 2.721 178.536 176.000 -0.308 0.000 0.989 277 Q CA 2.658 58.192 55.803 -0.449 0.000 0.853 277 Q CB -0.660 27.544 28.738 -0.891 0.000 0.907 277 Q HN 0.713 nan 8.270 nan 0.000 0.418 278 G N -0.205 108.414 108.800 -0.302 0.000 2.403 278 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 278 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 278 G C 1.439 176.258 174.900 -0.135 0.000 1.154 278 G CA 0.730 45.725 45.100 -0.175 0.000 0.784 278 G HN 0.506 nan 8.290 nan 0.000 0.538 279 A N 0.900 123.579 122.820 -0.234 0.000 1.877 279 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 279 A C 2.377 179.919 177.584 -0.069 0.000 1.186 279 A CA 1.251 53.144 52.037 -0.241 0.000 0.620 279 A CB -0.402 18.167 19.000 -0.719 0.000 0.822 279 A HN 0.355 nan 8.150 nan 0.000 0.443 280 I N -0.441 120.065 120.570 -0.105 0.000 2.151 280 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 280 I C 2.534 178.630 176.117 -0.035 0.000 1.080 280 I CA 1.933 63.200 61.300 -0.056 0.000 1.339 280 I CB -0.254 37.701 38.000 -0.075 0.000 1.039 280 I HN 0.309 nan 8.210 nan 0.000 0.409 281 K N 0.576 120.944 120.400 -0.054 0.000 2.057 281 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 281 K C 2.228 178.816 176.600 -0.021 0.000 1.049 281 K CA 1.538 57.800 56.287 -0.042 0.000 0.931 281 K CB -0.305 32.161 32.500 -0.057 0.000 0.714 281 K HN 0.336 nan 8.250 nan 0.000 0.440 282 A N 1.269 124.090 122.820 0.001 0.000 1.933 282 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 282 A C 2.117 179.718 177.584 0.029 0.000 1.175 282 A CA 1.280 53.329 52.037 0.020 0.000 0.628 282 A CB -0.565 18.491 19.000 0.093 0.000 0.814 282 A HN 0.175 nan 8.150 nan 0.000 0.444 283 I N -0.507 120.095 120.570 0.053 0.000 2.179 283 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 283 I C 2.478 178.601 176.117 0.011 0.000 1.088 283 I CA 1.676 63.002 61.300 0.044 0.000 1.357 283 I CB -0.271 37.764 38.000 0.058 0.000 1.051 283 I HN 0.265 nan 8.210 nan 0.000 0.409 284 K N 0.615 121.016 120.400 0.001 0.000 2.063 284 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 284 K C 2.100 178.692 176.600 -0.012 0.000 1.048 284 K CA 1.367 57.648 56.287 -0.010 0.000 0.928 284 K CB -0.262 32.229 32.500 -0.015 0.000 0.713 284 K HN 0.278 nan 8.250 nan 0.000 0.442 285 L N 0.275 121.488 121.223 -0.017 0.000 2.083 285 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 285 L C 2.529 179.396 176.870 -0.006 0.000 1.083 285 L CA 1.106 55.935 54.840 -0.020 0.000 0.752 285 L CB -0.465 41.564 42.059 -0.049 0.000 0.899 285 L HN 0.229 nan 8.230 nan 0.000 0.433 286 A N -0.127 122.688 122.820 -0.008 0.000 1.898 286 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 286 A C 2.228 179.805 177.584 -0.011 0.000 1.181 286 A CA 1.126 53.162 52.037 -0.001 0.000 0.620 286 A CB -0.580 18.414 19.000 -0.010 0.000 0.819 286 A HN 0.321 nan 8.150 nan 0.000 0.442 287 L N -0.196 121.014 121.223 -0.022 0.000 2.046 287 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 287 L C 2.777 179.627 176.870 -0.034 0.000 1.077 287 L CA 2.005 56.818 54.840 -0.044 0.000 0.747 287 L CB -0.674 41.359 42.059 -0.042 0.000 0.896 287 L HN 0.742 nan 8.230 nan 0.000 0.432 288 E N 0.720 120.913 120.200 -0.012 0.000 2.150 288 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 288 E C 1.939 178.554 176.600 0.026 0.000 0.985 288 E CA 1.437 57.837 56.400 0.001 0.000 0.814 288 E CB -0.060 29.642 29.700 0.002 0.000 0.752 288 E HN 0.570 nan 8.360 nan 0.000 0.466 289 E N 0.141 120.370 120.200 0.048 0.000 2.158 289 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 289 E C 1.879 178.536 176.600 0.095 0.000 0.982 289 E CA 0.801 57.261 56.400 0.101 0.000 0.823 289 E CB -0.044 29.759 29.700 0.171 0.000 0.766 289 E HN 0.368 nan 8.360 nan 0.000 0.468 290 A N 0.674 123.520 122.820 0.044 0.000 2.067 290 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 290 A C 0.601 178.182 177.584 -0.004 0.000 1.156 290 A CA 0.927 52.979 52.037 0.024 0.000 0.683 290 A CB -0.165 18.811 19.000 -0.040 0.000 0.808 290 A HN 0.413 nan 8.150 nan 0.000 0.455 291 E N -1.025 119.163 120.200 -0.019 0.000 2.442 291 E HA -0.170 4.180 4.350 -0.000 0.000 0.256 291 E C -0.268 176.281 176.600 -0.085 0.000 1.095 291 E CA 0.683 57.066 56.400 -0.028 0.000 0.747 291 E CB -1.855 27.849 29.700 0.007 0.000 1.310 291 E HN 0.862 nan 8.360 nan 0.000 0.396 292 I N -2.989 117.492 120.570 -0.148 0.000 2.892 292 I HA 0.667 4.836 4.170 -0.000 0.000 0.306 292 I C 0.507 176.536 176.117 -0.146 0.000 1.078 292 I CA -0.981 60.181 61.300 -0.230 0.000 1.032 292 I CB 2.087 39.771 38.000 -0.527 0.000 1.229 292 I HN -0.003 nan 8.210 nan 0.000 0.435 293 S N 1.887 117.514 115.700 -0.120 0.000 2.672 293 S HA 0.522 4.991 4.470 -0.000 0.000 0.276 293 S C -2.027 172.534 174.600 -0.064 0.000 1.207 293 S CA -1.198 56.960 58.200 -0.069 0.000 1.002 293 S CB 1.183 64.358 63.200 -0.042 0.000 0.998 293 S HN 0.569 nan 8.310 nan 0.000 0.542 294 P HA -0.120 nan 4.420 nan 0.000 0.216 294 P C 0.738 178.033 177.300 -0.010 0.000 1.150 294 P CA 1.344 64.432 63.100 -0.021 0.000 0.843 294 P CB -0.100 31.595 31.700 -0.009 0.000 0.787 295 E N -0.667 119.529 120.200 -0.008 0.000 2.338 295 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 295 E C 1.818 178.431 176.600 0.021 0.000 1.007 295 E CA 0.792 57.197 56.400 0.009 0.000 0.849 295 E CB -0.734 28.971 29.700 0.010 0.000 0.774 295 E HN 0.456 nan 8.360 nan 0.000 0.506 296 Q N 0.203 120.002 119.800 -0.003 0.000 2.432 296 Q HA 0.054 4.394 4.340 -0.000 0.000 0.205 296 Q C -0.099 175.952 176.000 0.085 0.000 0.945 296 Q CA 0.149 55.968 55.803 0.027 0.000 0.924 296 Q CB 0.494 29.175 28.738 -0.095 0.000 1.016 296 Q HN 0.116 nan 8.270 nan 0.000 0.503 297 V N 1.594 121.537 119.914 0.050 0.000 2.415 297 V HA 0.064 4.184 4.120 -0.000 0.000 0.267 297 V C 0.842 177.011 176.094 0.125 0.000 1.042 297 V CA 0.341 62.699 62.300 0.097 0.000 1.000 297 V CB 0.777 32.632 31.823 0.053 0.000 1.015 297 V HN 0.217 nan 8.190 nan 0.000 0.478 298 A N 4.830 127.757 122.820 0.178 0.000 2.195 298 A HA 0.294 4.614 4.320 -0.000 0.000 0.210 298 A C 0.331 178.054 177.584 0.233 0.000 1.165 298 A CA 0.465 52.605 52.037 0.172 0.000 0.806 298 A CB 0.149 19.245 19.000 0.161 0.000 0.847 298 A HN 0.860 nan 8.150 nan 0.000 0.482 299 Y N -1.821 118.524 120.300 0.074 0.000 2.521 299 Y HA 0.469 5.018 4.550 -0.000 0.000 0.328 299 Y C -2.043 173.902 175.900 0.075 0.000 1.151 299 Y CA -1.734 56.399 58.100 0.055 0.000 1.054 299 Y CB 0.991 39.481 38.460 0.050 0.000 1.338 299 Y HN -0.128 nan 8.280 nan 0.000 0.453 300 V N 6.291 125.944 119.914 -0.435 0.000 2.444 300 V HA 0.342 4.462 4.120 -0.000 0.000 0.294 300 V C -0.409 175.168 176.094 -0.863 0.000 1.022 300 V CA -0.999 61.010 62.300 -0.485 0.000 0.850 300 V CB 1.584 33.329 31.823 -0.130 0.000 0.992 300 V HN 0.773 nan 8.190 nan 0.000 0.426 301 N N 4.029 122.253 118.700 -0.794 0.000 2.469 301 N HA 0.369 5.109 4.740 -0.000 0.000 0.239 301 N C 0.089 175.531 175.510 -0.112 0.000 1.053 301 N CA -0.149 52.656 53.050 -0.409 0.000 0.937 301 N CB 1.587 39.958 38.487 -0.193 0.000 1.163 301 N HN 0.831 nan 8.380 nan 0.000 0.509 302 A N 2.684 125.516 122.820 0.020 0.000 2.406 302 A HA 0.024 4.343 4.320 -0.000 0.000 0.243 302 A C 1.217 178.837 177.584 0.061 0.000 1.082 302 A CA -0.107 52.002 52.037 0.120 0.000 0.786 302 A CB 0.243 19.447 19.000 0.340 0.000 1.029 302 A HN 0.913 nan 8.150 nan 0.000 0.495 303 H N 1.283 120.300 119.070 -0.087 0.000 2.326 303 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 303 H C 1.512 176.742 175.328 -0.163 0.000 1.081 303 H CA 1.564 57.491 56.048 -0.201 0.000 1.334 303 H CB -0.693 28.913 29.762 -0.261 0.000 1.385 303 H HN 1.206 nan 8.280 nan 0.000 0.504 304 G N 0.744 109.425 108.800 -0.198 0.000 2.101 304 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.247 304 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.247 304 G C 0.971 175.612 174.900 -0.431 0.000 0.740 304 G CA 0.954 45.829 45.100 -0.375 0.000 1.130 304 G HN 0.792 nan 8.290 nan 0.000 0.342 305 T N -1.920 112.314 114.554 -0.533 0.000 3.113 305 T HA 0.358 4.708 4.350 -0.000 0.000 0.256 305 T C 1.457 176.065 174.700 -0.153 0.000 1.131 305 T CA 1.075 62.903 62.100 -0.453 0.000 1.074 305 T CB 0.306 68.847 68.868 -0.544 0.000 0.944 305 T HN 1.737 nan 8.240 nan 0.000 0.516 306 S N 0.780 116.373 115.700 -0.178 0.000 3.391 306 S HA -0.147 4.323 4.470 -0.000 0.000 0.283 306 S C 0.344 174.931 174.600 -0.020 0.000 1.272 306 S CA 0.704 58.848 58.200 -0.093 0.000 0.912 306 S CB -2.171 61.008 63.200 -0.034 0.000 1.109 306 S HN 1.226 nan 8.310 nan 0.000 0.648 307 T N -1.176 113.372 114.554 -0.010 0.000 2.907 307 T HA 0.663 5.013 4.350 -0.000 0.000 0.284 307 T C -1.333 173.382 174.700 0.025 0.000 1.004 307 T CA -1.488 60.645 62.100 0.053 0.000 1.063 307 T CB 1.559 70.509 68.868 0.137 0.000 0.992 307 T HN -0.067 nan 8.240 nan 0.000 0.483 308 P HA -0.094 nan 4.420 nan 0.000 0.214 308 P C 1.728 179.066 177.300 0.064 0.000 1.163 308 P CA 1.862 64.999 63.100 0.062 0.000 0.889 308 P CB -0.285 31.453 31.700 0.064 0.000 0.790 309 A N -0.713 122.139 122.820 0.053 0.000 1.902 309 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 309 A C 2.278 179.879 177.584 0.028 0.000 1.181 309 A CA 2.316 54.375 52.037 0.035 0.000 0.623 309 A CB -1.885 17.139 19.000 0.039 0.000 0.818 309 A HN 0.195 nan 8.150 nan 0.000 0.443 310 N N -0.197 118.521 118.700 0.030 0.000 2.043 310 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 310 N C 1.517 177.024 175.510 -0.005 0.000 1.037 310 N CA 2.155 55.217 53.050 0.021 0.000 0.851 310 N CB -0.277 38.219 38.487 0.014 0.000 1.027 310 N HN 0.529 nan 8.380 nan 0.000 0.422 311 E N -0.178 119.979 120.200 -0.072 0.000 2.274 311 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 311 E C 1.676 178.353 176.600 0.128 0.000 0.996 311 E CA 0.493 56.826 56.400 -0.111 0.000 0.840 311 E CB 0.022 29.436 29.700 -0.476 0.000 0.772 311 E HN 0.404 nan 8.360 nan 0.000 0.491 312 K N 0.141 120.635 120.400 0.156 0.000 2.001 312 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 312 K C 2.103 178.777 176.600 0.124 0.000 1.048 312 K CA 1.556 57.989 56.287 0.243 0.000 0.932 312 K CB -0.341 32.252 32.500 0.154 0.000 0.715 312 K HN 0.186 nan 8.250 nan 0.000 0.437 313 G N 0.686 109.509 108.800 0.038 0.000 2.408 313 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 313 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 313 G C 1.365 176.246 174.900 -0.031 0.000 1.150 313 G CA 0.811 45.897 45.100 -0.024 0.000 0.776 313 G HN 0.545 nan 8.290 nan 0.000 0.542 314 E N 0.328 120.540 120.200 0.019 0.000 2.072 314 E HA -0.119 4.230 4.350 -0.000 0.000 0.191 314 E C 2.546 179.255 176.600 0.181 0.000 0.985 314 E CA 1.182 57.636 56.400 0.089 0.000 0.801 314 E CB -0.238 29.613 29.700 0.252 0.000 0.750 314 E HN 0.342 nan 8.360 nan 0.000 0.452 315 S N -0.487 115.365 115.700 0.254 0.000 2.368 315 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 315 S C 2.024 176.702 174.600 0.130 0.000 1.030 315 S CA 1.519 59.862 58.200 0.239 0.000 0.999 315 S CB -0.724 62.642 63.200 0.276 0.000 0.844 315 S HN 0.477 nan 8.310 nan 0.000 0.459 316 G N 0.841 109.704 108.800 0.105 0.000 2.476 316 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 316 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 316 G C 1.691 176.607 174.900 0.028 0.000 1.164 316 G CA 1.105 46.239 45.100 0.058 0.000 0.768 316 G HN 0.726 nan 8.290 nan 0.000 0.560 317 A N 0.526 123.351 122.820 0.008 0.000 1.898 317 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 317 A C 2.420 180.022 177.584 0.030 0.000 1.181 317 A CA 1.216 53.246 52.037 -0.012 0.000 0.620 317 A CB -0.335 18.616 19.000 -0.080 0.000 0.819 317 A HN 0.369 nan 8.150 nan 0.000 0.442 318 I N -0.398 120.213 120.570 0.069 0.000 2.163 318 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 318 I C 2.346 178.490 176.117 0.045 0.000 1.085 318 I CA 1.243 62.587 61.300 0.074 0.000 1.347 318 I CB -0.228 37.832 38.000 0.099 0.000 1.044 318 I HN 0.164 nan 8.210 nan 0.000 0.408 319 V N 0.797 120.736 119.914 0.042 0.000 2.307 319 V HA -0.256 3.863 4.120 -0.000 0.000 0.245 319 V C 2.694 178.800 176.094 0.021 0.000 1.045 319 V CA 1.843 64.161 62.300 0.029 0.000 1.024 319 V CB -1.026 30.817 31.823 0.033 0.000 0.651 319 V HN 0.488 nan 8.190 nan 0.000 0.449 320 A N -0.174 122.656 122.820 0.017 0.000 1.908 320 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 320 A C 2.312 179.898 177.584 0.004 0.000 1.181 320 A CA 2.444 54.485 52.037 0.006 0.000 0.627 320 A CB -0.539 18.459 19.000 -0.004 0.000 0.818 320 A HN 0.384 nan 8.150 nan 0.000 0.445 321 V N -1.162 118.756 119.914 0.008 0.000 2.575 321 V HA 0.019 4.139 4.120 -0.000 0.000 0.242 321 V C 2.109 178.208 176.094 0.008 0.000 1.045 321 V CA 1.404 63.707 62.300 0.006 0.000 1.065 321 V CB -0.368 31.460 31.823 0.008 0.000 0.717 321 V HN 0.504 nan 8.190 nan 0.000 0.467 322 L N -0.481 120.751 121.223 0.015 0.000 2.609 322 L HA 0.597 4.937 4.340 -0.000 0.000 0.230 322 L C 1.143 178.023 176.870 0.016 0.000 1.087 322 L CA 0.661 55.511 54.840 0.016 0.000 0.874 322 L CB 0.015 42.088 42.059 0.023 0.000 1.114 322 L HN 0.501 nan 8.230 nan 0.000 0.488 323 G N 1.029 109.839 108.800 0.015 0.000 2.660 323 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.247 323 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.247 323 G C 0.000 174.908 174.900 0.013 0.000 1.328 323 G CA -0.220 44.888 45.100 0.013 0.000 0.884 323 G HN 0.158 nan 8.290 nan 0.000 0.531 324 K N 0.171 120.576 120.400 0.009 0.000 2.404 324 K HA 0.436 4.756 4.320 -0.000 0.000 0.194 324 K C 2.188 178.788 176.600 -0.001 0.000 1.023 324 K CA 0.904 57.194 56.287 0.004 0.000 1.094 324 K CB 0.493 32.996 32.500 0.005 0.000 0.841 324 K HN 0.681 nan 8.250 nan 0.000 0.523 325 A N 0.989 123.812 122.820 0.005 0.000 2.085 325 A HA 0.073 4.392 4.320 -0.000 0.000 0.208 325 A C 0.859 178.450 177.584 0.012 0.000 1.191 325 A CA -0.165 51.875 52.037 0.005 0.000 0.799 325 A CB 0.293 19.298 19.000 0.008 0.000 0.877 325 A HN 0.108 nan 8.150 nan 0.000 0.473 326 V N 3.316 123.243 119.914 0.021 0.000 2.557 326 V HA 0.164 4.283 4.120 -0.000 0.000 0.301 326 V C -2.337 173.782 176.094 0.041 0.000 1.026 326 V CA -1.645 60.679 62.300 0.041 0.000 1.137 326 V CB 0.784 32.634 31.823 0.045 0.000 0.917 326 V HN 0.294 nan 8.190 nan 0.000 0.484 327 P HA 0.222 nan 4.420 nan 0.000 0.276 327 P C -1.060 176.327 177.300 0.145 0.000 1.230 327 P CA 0.068 63.214 63.100 0.077 0.000 0.776 327 P CB 1.055 32.801 31.700 0.076 0.000 0.888 328 V N 2.894 122.844 119.914 0.061 0.000 2.588 328 V HA 0.593 4.713 4.120 -0.000 0.000 0.304 328 V C 0.199 176.344 176.094 0.085 0.000 1.042 328 V CA -0.381 61.944 62.300 0.043 0.000 0.877 328 V CB 1.764 33.521 31.823 -0.110 0.000 0.996 328 V HN 0.792 nan 8.190 nan 0.000 0.425 329 S N 2.339 118.180 115.700 0.236 0.000 2.541 329 S HA 0.734 5.204 4.470 -0.000 0.000 0.271 329 S C -0.822 173.955 174.600 0.295 0.000 1.133 329 S CA -0.613 57.749 58.200 0.270 0.000 0.876 329 S CB 2.077 65.427 63.200 0.250 0.000 1.105 329 S HN 0.857 nan 8.310 nan 0.000 0.470 330 S N 1.193 117.077 115.700 0.307 0.000 2.498 330 S HA 0.493 4.963 4.470 -0.000 0.000 0.317 330 S C 0.841 175.567 174.600 0.209 0.000 1.090 330 S CA -0.087 58.244 58.200 0.219 0.000 1.089 330 S CB 0.722 64.019 63.200 0.160 0.000 0.997 330 S HN 1.056 nan 8.310 nan 0.000 0.470 331 T N 2.276 116.937 114.554 0.178 0.000 3.148 331 T HA 0.197 4.547 4.350 -0.000 0.000 0.253 331 T C 1.142 175.966 174.700 0.208 0.000 1.134 331 T CA 0.095 62.321 62.100 0.210 0.000 1.051 331 T CB -0.214 68.688 68.868 0.057 0.000 0.959 331 T HN 0.633 nan 8.240 nan 0.000 0.525 332 K N 1.789 122.257 120.400 0.113 0.000 2.439 332 K HA -0.010 4.310 4.320 -0.000 0.000 0.197 332 K C 2.374 179.026 176.600 0.086 0.000 1.041 332 K CA 1.063 57.388 56.287 0.064 0.000 0.970 332 K CB -0.080 32.378 32.500 -0.069 0.000 0.773 332 K HN 0.589 nan 8.250 nan 0.000 0.479 333 S N -0.248 115.520 115.700 0.113 0.000 2.481 333 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 333 S C 1.521 176.091 174.600 -0.050 0.000 0.996 333 S CA 0.589 58.800 58.200 0.019 0.000 0.942 333 S CB -0.187 63.009 63.200 -0.006 0.000 0.768 333 S HN 0.147 nan 8.310 nan 0.000 0.520 334 F N 2.271 122.209 119.950 -0.021 0.000 2.399 334 F HA 0.155 4.682 4.527 0.000 0.000 0.282 334 F C 2.901 178.689 175.800 -0.020 0.000 1.027 334 F CA 1.151 59.124 58.000 -0.044 0.000 1.333 334 F CB -0.653 38.285 39.000 -0.102 0.000 1.132 334 F HN 0.304 nan 8.300 nan 0.000 0.590 335 T N -2.192 112.500 114.554 0.230 0.000 3.065 335 T HA 0.500 4.850 4.350 -0.000 0.000 0.252 335 T C 1.125 175.908 174.700 0.139 0.000 1.099 335 T CA 0.428 62.629 62.100 0.168 0.000 1.063 335 T CB -0.420 68.561 68.868 0.188 0.000 0.948 335 T HN 0.505 nan 8.240 nan 0.000 0.506 336 G N 1.256 110.133 108.800 0.128 0.000 2.760 336 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.246 336 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.246 336 G C -0.802 174.198 174.900 0.167 0.000 1.359 336 G CA -0.389 44.795 45.100 0.141 0.000 0.861 336 G HN 0.803 nan 8.290 nan 0.000 0.541 337 H N 0.364 119.468 119.070 0.056 0.000 2.761 337 H HA 0.514 5.070 4.556 -0.000 0.000 0.284 337 H C 1.251 176.562 175.328 -0.029 0.000 1.105 337 H CA -0.910 55.090 56.048 -0.079 0.000 1.352 337 H CB 0.794 30.343 29.762 -0.356 0.000 1.423 337 H HN 0.364 nan 8.280 nan 0.000 0.464 338 L N 6.526 127.901 121.223 0.253 0.000 2.627 338 L HA 0.022 4.362 4.340 -0.000 0.000 0.233 338 L C 1.403 178.300 176.870 0.045 0.000 1.144 338 L CA 0.537 55.456 54.840 0.132 0.000 0.892 338 L CB -0.836 41.309 42.059 0.142 0.000 1.039 338 L HN 0.767 nan 8.230 nan 0.000 0.442 339 L N -1.453 119.678 121.223 -0.153 0.000 5.531 339 L HA -0.420 3.920 4.340 -0.000 0.000 0.053 339 L C 1.902 178.796 176.870 0.040 0.000 2.831 339 L CA 1.296 55.974 54.840 -0.269 0.000 1.552 339 L CB -1.826 40.102 42.059 -0.219 0.000 2.889 339 L HN 0.265 nan 8.230 nan 0.000 0.964 340 G N -1.094 107.744 108.800 0.064 0.000 2.479 340 G HA2 0.042 4.002 3.960 -0.000 0.000 0.220 340 G HA3 0.042 4.002 3.960 -0.000 0.000 0.220 340 G C 1.120 176.082 174.900 0.103 0.000 1.115 340 G CA 1.200 46.356 45.100 0.093 0.000 0.757 340 G HN 0.863 nan 8.290 nan 0.000 0.560 341 A N -0.028 122.860 122.820 0.113 0.000 2.348 341 A HA 0.713 5.033 4.320 -0.000 0.000 0.224 341 A C 2.412 180.060 177.584 0.107 0.000 1.227 341 A CA 1.164 53.269 52.037 0.113 0.000 0.885 341 A CB -0.085 18.994 19.000 0.132 0.000 0.933 341 A HN 0.475 nan 8.150 nan 0.000 0.506 342 A N 0.267 123.165 122.820 0.129 0.000 1.865 342 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 342 A C 2.344 179.983 177.584 0.092 0.000 1.191 342 A CA 2.000 54.120 52.037 0.138 0.000 0.623 342 A CB -1.348 17.776 19.000 0.207 0.000 0.826 342 A HN 0.740 nan 8.150 nan 0.000 0.444 343 G N -0.610 108.236 108.800 0.077 0.000 2.440 343 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 343 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 343 G C 1.760 176.691 174.900 0.053 0.000 1.154 343 G CA 1.712 46.845 45.100 0.055 0.000 0.767 343 G HN 0.847 nan 8.290 nan 0.000 0.552 344 A N 0.549 123.396 122.820 0.046 0.000 1.858 344 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 344 A C 2.754 180.317 177.584 -0.036 0.000 1.190 344 A CA 2.897 54.945 52.037 0.019 0.000 0.617 344 A CB -0.984 18.034 19.000 0.030 0.000 0.827 344 A HN 0.967 nan 8.150 nan 0.000 0.443 345 V N -1.943 117.960 119.914 -0.019 0.000 2.427 345 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 345 V C 1.842 177.935 176.094 -0.002 0.000 1.051 345 V CA 2.416 64.676 62.300 -0.067 0.000 1.048 345 V CB -1.087 30.756 31.823 0.032 0.000 0.666 345 V HN 0.590 nan 8.190 nan 0.000 0.456 346 E N 1.088 121.316 120.200 0.045 0.000 2.268 346 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 346 E C 2.334 178.931 176.600 -0.005 0.000 0.995 346 E CA 1.151 57.587 56.400 0.058 0.000 0.836 346 E CB -0.355 29.384 29.700 0.064 0.000 0.763 346 E HN 0.749 nan 8.360 nan 0.000 0.491 347 A N 0.998 123.794 122.820 -0.040 0.000 1.898 347 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 347 A C 2.142 179.525 177.584 -0.336 0.000 1.181 347 A CA 0.958 52.902 52.037 -0.155 0.000 0.620 347 A CB -0.474 18.533 19.000 0.012 0.000 0.819 347 A HN 0.140 nan 8.150 nan 0.000 0.442 348 I N -0.415 119.967 120.570 -0.313 0.000 2.179 348 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 348 I C 2.378 178.379 176.117 -0.194 0.000 1.088 348 I CA 1.168 62.160 61.300 -0.513 0.000 1.357 348 I CB -0.394 37.100 38.000 -0.843 0.000 1.051 348 I HN 0.155 nan 8.210 nan 0.000 0.409 349 V N 0.685 120.627 119.914 0.047 0.000 2.255 349 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 349 V C 2.531 178.725 176.094 0.167 0.000 1.051 349 V CA 2.698 65.138 62.300 0.233 0.000 1.018 349 V CB -1.103 30.853 31.823 0.222 0.000 0.641 349 V HN 0.491 nan 8.190 nan 0.000 0.445 350 T N 0.149 114.731 114.554 0.047 0.000 2.720 350 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 350 T C 1.808 176.443 174.700 -0.108 0.000 1.037 350 T CA 1.857 63.977 62.100 0.034 0.000 1.144 350 T CB -0.310 68.473 68.868 -0.142 0.000 0.864 350 T HN 0.346 nan 8.240 nan 0.000 0.444 351 I N 0.804 121.197 120.570 -0.294 0.000 2.202 351 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 351 I C 2.765 178.826 176.117 -0.093 0.000 1.091 351 I CA 1.105 62.264 61.300 -0.236 0.000 1.368 351 I CB -0.281 37.560 38.000 -0.265 0.000 1.058 351 I HN 0.105 nan 8.210 nan 0.000 0.410 352 E N 0.901 121.067 120.200 -0.056 0.000 2.153 352 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 352 E C 2.261 178.789 176.600 -0.120 0.000 0.988 352 E CA 1.265 57.601 56.400 -0.106 0.000 0.811 352 E CB -0.240 29.405 29.700 -0.091 0.000 0.746 352 E HN 0.493 nan 8.360 nan 0.000 0.466 353 A N 1.009 123.886 122.820 0.096 0.000 1.877 353 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 353 A C 2.286 179.913 177.584 0.073 0.000 1.186 353 A CA 1.583 53.718 52.037 0.164 0.000 0.620 353 A CB -0.499 18.528 19.000 0.045 0.000 0.822 353 A HN 0.177 nan 8.150 nan 0.000 0.443 354 M N -1.174 118.447 119.600 0.036 0.000 2.213 354 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 354 M C 2.323 178.598 176.300 -0.042 0.000 1.062 354 M CA 1.421 56.731 55.300 0.017 0.000 1.105 354 M CB -0.316 32.299 32.600 0.025 0.000 1.385 354 M HN 0.355 nan 8.290 nan 0.000 0.417 355 R N -0.904 119.526 120.500 -0.117 0.000 2.115 355 R HA -0.054 4.286 4.340 -0.000 0.000 0.226 355 R C 1.483 177.555 176.300 -0.379 0.000 1.100 355 R CA 0.804 56.749 56.100 -0.258 0.000 0.980 355 R CB -0.151 29.927 30.300 -0.370 0.000 0.875 355 R HN 0.522 nan 8.270 nan 0.000 0.445 356 H N 0.155 119.111 119.070 -0.190 0.000 2.586 356 H HA 0.175 4.731 4.556 -0.000 0.000 0.273 356 H C -0.107 175.262 175.328 0.069 0.000 0.997 356 H CA -0.137 55.846 56.048 -0.108 0.000 1.177 356 H CB 0.405 30.049 29.762 -0.198 0.000 1.471 356 H HN 0.144 nan 8.280 nan 0.000 0.538 357 N N 0.479 119.265 118.700 0.143 0.000 2.714 357 N HA -0.235 4.505 4.740 -0.000 0.000 0.253 357 N C -0.993 174.683 175.510 0.278 0.000 1.024 357 N CA 0.849 53.985 53.050 0.144 0.000 0.726 357 N CB -1.687 36.861 38.487 0.102 0.000 0.908 357 N HN 0.303 nan 8.380 nan 0.000 0.542 358 F N -0.532 119.468 119.950 0.083 0.000 2.623 358 F HA 0.364 4.891 4.527 -0.000 0.000 0.323 358 F C -1.079 174.701 175.800 -0.034 0.000 1.158 358 F CA -0.765 57.282 58.000 0.079 0.000 1.030 358 F CB 1.337 40.477 39.000 0.233 0.000 1.280 358 F HN -0.176 nan 8.300 nan 0.000 0.474 359 V N 7.779 127.193 119.914 -0.832 0.000 2.385 359 V HA 0.363 4.483 4.120 -0.000 0.000 0.269 359 V C -2.097 173.330 176.094 -1.111 0.000 1.043 359 V CA -1.721 60.020 62.300 -0.931 0.000 0.906 359 V CB 0.975 32.394 31.823 -0.675 0.000 0.995 359 V HN 0.548 nan 8.190 nan 0.000 0.467 360 P HA 0.168 nan 4.420 nan 0.000 0.271 360 P C 0.026 177.181 177.300 -0.242 0.000 1.218 360 P CA -0.140 62.666 63.100 -0.489 0.000 0.780 360 P CB 0.513 32.011 31.700 -0.336 0.000 0.901 361 M N 0.153 119.717 119.600 -0.061 0.000 2.163 361 M HA 0.341 4.821 4.480 -0.000 0.000 0.305 361 M C -0.372 176.062 176.300 0.223 0.000 1.166 361 M CA 0.437 55.772 55.300 0.057 0.000 1.132 361 M CB 0.034 32.683 32.600 0.082 0.000 1.413 361 M HN 0.027 nan 8.290 nan 0.000 0.478 362 T N 2.295 116.966 114.554 0.195 0.000 2.794 362 T HA 0.536 4.886 4.350 -0.000 0.000 0.304 362 T C 0.285 175.049 174.700 0.105 0.000 0.973 362 T CA -0.447 61.780 62.100 0.211 0.000 0.972 362 T CB -0.041 68.974 68.868 0.244 0.000 0.952 362 T HN 0.723 nan 8.240 nan 0.000 0.509 363 A N 2.621 125.405 122.820 -0.059 0.000 2.429 363 A HA 0.590 4.910 4.320 -0.000 0.000 0.242 363 A C 1.705 179.200 177.584 -0.148 0.000 1.088 363 A CA 0.306 52.182 52.037 -0.268 0.000 0.784 363 A CB -0.653 17.846 19.000 -0.836 0.000 1.038 363 A HN 1.317 nan 8.150 nan 0.000 0.501 364 G N -0.287 108.435 108.800 -0.131 0.000 3.163 364 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.227 364 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.227 364 G C 0.801 175.669 174.900 -0.053 0.000 1.300 364 G CA 0.984 46.032 45.100 -0.086 0.000 0.867 364 G HN 1.491 nan 8.290 nan 0.000 0.533 365 T N 1.741 116.267 114.554 -0.045 0.000 2.923 365 T HA 0.384 4.734 4.350 -0.000 0.000 0.304 365 T C 1.556 176.155 174.700 -0.168 0.000 1.044 365 T CA 1.452 63.489 62.100 -0.105 0.000 1.141 365 T CB 1.007 69.831 68.868 -0.075 0.000 1.023 365 T HN 1.400 nan 8.240 nan 0.000 0.533 366 S N 1.276 116.821 115.700 -0.258 0.000 2.663 366 S HA 0.242 4.712 4.470 -0.000 0.000 0.247 366 S C 0.182 174.579 174.600 -0.339 0.000 1.074 366 S CA -0.556 57.524 58.200 -0.201 0.000 0.955 366 S CB 0.482 63.646 63.200 -0.060 0.000 0.901 366 S HN 0.721 nan 8.310 nan 0.000 0.505 367 E N 1.309 121.293 120.200 -0.361 0.000 2.302 367 E HA 0.500 4.849 4.350 -0.000 0.000 0.263 367 E C -1.527 174.902 176.600 -0.286 0.000 0.897 367 E CA -0.571 55.659 56.400 -0.283 0.000 0.809 367 E CB 2.162 31.786 29.700 -0.126 0.000 1.270 367 E HN 0.151 nan 8.360 nan 0.000 0.410 368 V N 3.071 122.799 119.914 -0.310 0.000 2.715 368 V HA 0.077 4.197 4.120 -0.000 0.000 0.299 368 V C 0.517 176.502 176.094 -0.182 0.000 1.054 368 V CA -0.152 62.027 62.300 -0.202 0.000 1.077 368 V CB 1.514 33.253 31.823 -0.140 0.000 0.972 368 V HN 0.738 nan 8.190 nan 0.000 0.484 369 S N 3.136 118.695 115.700 -0.235 0.000 2.558 369 S HA 0.054 4.524 4.470 -0.000 0.000 0.293 369 S C 1.466 175.814 174.600 -0.420 0.000 1.292 369 S CA 0.412 58.365 58.200 -0.413 0.000 1.063 369 S CB 0.502 63.213 63.200 -0.814 0.000 0.831 369 S HN 1.013 nan 8.310 nan 0.000 0.499 370 D N 1.898 122.128 120.400 -0.284 0.000 2.221 370 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 370 D C 1.363 177.603 176.300 -0.099 0.000 0.982 370 D CA 1.804 55.724 54.000 -0.133 0.000 0.857 370 D CB -0.816 39.968 40.800 -0.027 0.000 0.934 370 D HN 0.885 nan 8.370 nan 0.000 0.475 371 Y N -1.149 119.166 120.300 0.025 0.000 2.546 371 Y HA 0.380 4.930 4.550 -0.000 0.000 0.287 371 Y C 0.936 176.858 175.900 0.036 0.000 1.158 371 Y CA -0.885 57.230 58.100 0.026 0.000 1.307 371 Y CB -0.570 37.903 38.460 0.020 0.000 1.036 371 Y HN 0.162 nan 8.280 nan 0.000 0.532 372 I N 2.948 123.415 120.570 -0.172 0.000 2.421 372 I HA 0.016 4.186 4.170 -0.000 0.000 0.291 372 I C 0.472 176.592 176.117 0.006 0.000 1.089 372 I CA 0.379 61.670 61.300 -0.015 0.000 1.354 372 I CB 0.986 38.954 38.000 -0.054 0.000 1.413 372 I HN 0.364 nan 8.210 nan 0.000 0.513 373 E N 4.798 125.026 120.200 0.045 0.000 2.452 373 E HA 0.150 4.500 4.350 -0.000 0.000 0.197 373 E C 0.803 177.400 176.600 -0.005 0.000 1.022 373 E CA -0.196 56.217 56.400 0.021 0.000 0.890 373 E CB 0.410 30.133 29.700 0.037 0.000 0.918 373 E HN 0.735 nan 8.360 nan 0.000 0.496 374 A N 2.238 125.044 122.820 -0.022 0.000 2.448 374 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 374 A C 0.415 177.937 177.584 -0.104 0.000 1.080 374 A CA -0.266 51.732 52.037 -0.065 0.000 0.779 374 A CB 0.084 19.025 19.000 -0.098 0.000 1.026 374 A HN 0.073 nan 8.150 nan 0.000 0.499 375 N N 1.448 120.096 118.700 -0.086 0.000 3.050 375 N HA 0.209 4.949 4.740 -0.000 0.000 0.289 375 N C -0.634 174.805 175.510 -0.119 0.000 1.209 375 N CA -0.095 52.910 53.050 -0.075 0.000 1.154 375 N CB -0.554 37.909 38.487 -0.040 0.000 1.444 375 N HN 0.297 nan 8.380 nan 0.000 0.529 376 V N 2.327 122.134 119.914 -0.178 0.000 2.529 376 V HA 0.051 4.171 4.120 -0.000 0.000 0.292 376 V C 0.505 176.589 176.094 -0.017 0.000 1.028 376 V CA -0.511 61.656 62.300 -0.222 0.000 1.074 376 V CB 0.998 32.620 31.823 -0.334 0.000 0.958 376 V HN 0.175 nan 8.190 nan 0.000 0.481 377 V N 7.646 127.551 119.914 -0.014 0.000 2.368 377 V HA 0.422 4.542 4.120 -0.000 0.000 0.266 377 V C -0.303 175.834 176.094 0.071 0.000 1.045 377 V CA -0.230 62.047 62.300 -0.038 0.000 0.899 377 V CB -0.081 31.707 31.823 -0.058 0.000 1.006 377 V HN 0.873 nan 8.190 nan 0.000 0.470 378 Y N 2.084 122.366 120.300 -0.030 0.000 2.644 378 Y HA 0.880 5.430 4.550 0.000 0.000 0.338 378 Y C 0.952 176.844 175.900 -0.014 0.000 1.119 378 Y CA -0.394 57.700 58.100 -0.011 0.000 1.060 378 Y CB 1.490 39.948 38.460 -0.004 0.000 1.294 378 Y HN 0.736 nan 8.280 nan 0.000 0.472 379 G N 0.066 108.948 108.800 0.137 0.000 2.708 379 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.229 379 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.229 379 G C -0.049 174.855 174.900 0.006 0.000 1.236 379 G CA 0.765 45.893 45.100 0.046 0.000 0.749 379 G HN 0.970 nan 8.290 nan 0.000 0.515 380 Q N 0.117 119.900 119.800 -0.028 0.000 2.472 380 Q HA 0.517 4.857 4.340 -0.000 0.000 0.281 380 Q C 0.168 176.166 176.000 -0.004 0.000 0.997 380 Q CA -0.096 55.715 55.803 0.015 0.000 0.828 380 Q CB 1.286 30.032 28.738 0.014 0.000 1.443 380 Q HN 1.015 nan 8.270 nan 0.000 0.390 381 G N 1.809 110.655 108.800 0.076 0.000 2.554 381 G HA2 0.252 4.212 3.960 -0.000 0.000 0.238 381 G HA3 0.252 4.212 3.960 -0.000 0.000 0.238 381 G C -0.650 174.170 174.900 -0.133 0.000 1.259 381 G CA -0.385 44.616 45.100 -0.164 0.000 0.843 381 G HN 0.437 nan 8.290 nan 0.000 0.582 382 L N 2.178 123.168 121.223 -0.389 0.000 2.276 382 L HA 0.591 4.931 4.340 -0.000 0.000 0.286 382 L C 0.609 177.412 176.870 -0.112 0.000 1.024 382 L CA -0.663 54.071 54.840 -0.176 0.000 0.826 382 L CB 0.769 42.718 42.059 -0.182 0.000 1.211 382 L HN 0.622 nan 8.230 nan 0.000 0.422 383 A N 6.596 129.488 122.820 0.120 0.000 2.440 383 A HA 0.529 4.849 4.320 -0.000 0.000 0.251 383 A C -0.184 177.451 177.584 0.084 0.000 1.089 383 A CA -0.057 52.106 52.037 0.210 0.000 0.779 383 A CB 0.353 19.472 19.000 0.199 0.000 1.022 383 A HN 0.845 nan 8.150 nan 0.000 0.492 384 K N 1.190 121.640 120.400 0.083 0.000 2.931 384 K HA 0.283 4.603 4.320 -0.000 0.000 0.292 384 K C -1.530 175.098 176.600 0.047 0.000 1.077 384 K CA -0.899 55.416 56.287 0.046 0.000 0.829 384 K CB 0.513 33.023 32.500 0.018 0.000 1.488 384 K HN 0.341 nan 8.250 nan 0.000 0.358 385 E N 1.522 121.746 120.200 0.039 0.000 2.223 385 E HA 0.284 4.634 4.350 -0.000 0.000 0.282 385 E C -0.510 176.118 176.600 0.047 0.000 1.046 385 E CA -0.210 56.211 56.400 0.035 0.000 0.857 385 E CB 0.781 30.497 29.700 0.027 0.000 1.055 385 E HN 0.436 nan 8.360 nan 0.000 0.409 386 I N 5.584 126.182 120.570 0.048 0.000 2.555 386 I HA 0.160 4.330 4.170 -0.000 0.000 0.275 386 I C -1.883 174.267 176.117 0.056 0.000 1.082 386 I CA -1.769 59.579 61.300 0.080 0.000 1.167 386 I CB 1.606 39.665 38.000 0.097 0.000 1.312 386 I HN 0.148 nan 8.210 nan 0.000 0.493 387 P HA 0.032 nan 4.420 nan 0.000 0.224 387 P C -0.682 176.482 177.300 -0.227 0.000 1.157 387 P CA 1.088 64.138 63.100 -0.083 0.000 0.799 387 P CB 0.247 31.926 31.700 -0.035 0.000 0.809 388 Y N -1.491 118.868 120.300 0.098 0.000 2.534 388 Y HA 0.673 5.222 4.550 -0.000 0.000 0.345 388 Y C -0.346 175.641 175.900 0.144 0.000 1.031 388 Y CA -1.177 56.994 58.100 0.118 0.000 1.022 388 Y CB 1.911 40.422 38.460 0.085 0.000 1.292 388 Y HN -0.250 nan 8.280 nan 0.000 0.459 389 A N 2.254 125.285 122.820 0.352 0.000 2.612 389 A HA 0.870 5.190 4.320 -0.000 0.000 0.293 389 A C -1.631 176.103 177.584 0.249 0.000 1.075 389 A CA -0.707 51.491 52.037 0.267 0.000 0.680 389 A CB 1.296 20.483 19.000 0.311 0.000 1.279 389 A HN 0.778 nan 8.150 nan 0.000 0.411 390 I N -1.710 118.927 120.570 0.111 0.000 2.957 390 I HA 0.899 5.069 4.170 -0.000 0.000 0.310 390 I C -0.266 175.878 176.117 0.045 0.000 1.063 390 I CA -0.779 60.580 61.300 0.098 0.000 1.033 390 I CB 2.336 40.355 38.000 0.032 0.000 1.230 390 I HN 0.511 nan 8.210 nan 0.000 0.447 391 S N 2.550 118.306 115.700 0.092 0.000 2.707 391 S HA 0.519 4.989 4.470 -0.000 0.000 0.303 391 S C -1.093 173.486 174.600 -0.036 0.000 1.132 391 S CA -0.689 57.538 58.200 0.044 0.000 1.046 391 S CB 0.568 63.883 63.200 0.192 0.000 1.004 391 S HN 0.696 nan 8.310 nan 0.000 0.483 392 N N 2.390 121.014 118.700 -0.126 0.000 2.487 392 N HA 0.608 5.348 4.740 -0.000 0.000 0.292 392 N C -0.674 174.520 175.510 -0.526 0.000 1.108 392 N CA -0.314 52.522 53.050 -0.357 0.000 0.956 392 N CB 1.785 40.040 38.487 -0.388 0.000 1.176 392 N HN 0.723 nan 8.380 nan 0.000 0.484 393 T N -1.661 112.380 114.554 -0.854 0.000 2.971 393 T HA 0.642 4.992 4.350 -0.000 0.000 0.304 393 T C -1.080 172.912 174.700 -1.180 0.000 1.038 393 T CA -0.693 60.895 62.100 -0.853 0.000 1.007 393 T CB -0.059 68.615 68.868 -0.325 0.000 1.055 393 T HN 0.283 nan 8.240 nan 0.000 0.451 394 F N 1.699 121.038 119.950 -1.020 0.000 2.676 394 F HA 0.587 5.114 4.527 -0.000 0.000 0.371 394 F C 0.986 176.472 175.800 -0.525 0.000 1.141 394 F CA -0.987 56.685 58.000 -0.548 0.000 1.133 394 F CB 1.556 40.347 39.000 -0.347 0.000 1.376 394 F HN 1.002 nan 8.300 nan 0.000 0.491 395 G N 1.131 109.865 108.800 -0.110 0.000 2.537 395 G HA2 0.440 4.400 3.960 -0.000 0.000 0.273 395 G HA3 0.440 4.400 3.960 -0.000 0.000 0.273 395 G C -0.526 174.390 174.900 0.027 0.000 1.189 395 G CA -0.513 44.566 45.100 -0.035 0.000 0.881 395 G HN 0.358 nan 8.290 nan 0.000 0.535 396 F N 0.126 120.237 119.950 0.268 0.000 2.602 396 F HA 0.326 4.853 4.527 0.000 0.000 0.367 396 F C 1.634 177.548 175.800 0.189 0.000 1.126 396 F CA 1.647 59.789 58.000 0.238 0.000 1.321 396 F CB 0.891 40.054 39.000 0.272 0.000 1.094 396 F HN 0.803 nan 8.300 nan 0.000 0.594 397 G N 0.859 109.804 108.800 0.242 0.000 2.179 397 G HA2 0.027 3.987 3.960 -0.000 0.000 0.220 397 G HA3 0.027 3.987 3.960 -0.000 0.000 0.220 397 G C 0.854 175.586 174.900 -0.281 0.000 0.990 397 G CA -0.084 45.010 45.100 -0.010 0.000 0.646 397 G HN 1.835 nan 8.290 nan 0.000 0.517 398 G N -0.858 107.870 108.800 -0.121 0.000 2.147 398 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 398 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 398 G C 0.002 174.822 174.900 -0.133 0.000 1.005 398 G CA 0.866 45.917 45.100 -0.083 0.000 0.713 398 G HN 1.473 nan 8.290 nan 0.000 0.515 399 H N 1.021 120.150 119.070 0.097 0.000 2.800 399 H HA 0.444 5.000 4.556 -0.000 0.000 0.291 399 H C 0.328 175.712 175.328 0.094 0.000 1.076 399 H CA -0.264 55.833 56.048 0.082 0.000 1.452 399 H CB 0.542 30.348 29.762 0.074 0.000 1.461 399 H HN 0.220 nan 8.280 nan 0.000 0.488 400 N N 2.119 120.946 118.700 0.212 0.000 2.400 400 N HA 0.564 5.304 4.740 -0.000 0.000 0.288 400 N C -0.946 174.653 175.510 0.148 0.000 1.024 400 N CA -0.554 52.655 53.050 0.264 0.000 0.894 400 N CB 2.300 40.956 38.487 0.282 0.000 1.173 400 N HN 0.637 nan 8.380 nan 0.000 0.487 401 A N 1.496 124.353 122.820 0.062 0.000 2.398 401 A HA 0.660 4.980 4.320 -0.000 0.000 0.301 401 A C -1.002 176.584 177.584 0.003 0.000 1.041 401 A CA -0.567 51.515 52.037 0.075 0.000 0.711 401 A CB 1.183 20.264 19.000 0.134 0.000 1.240 401 A HN 0.345 nan 8.150 nan 0.000 0.420 402 V N 3.090 123.046 119.914 0.070 0.000 2.709 402 V HA 0.525 4.645 4.120 -0.000 0.000 0.308 402 V C -0.563 175.564 176.094 0.054 0.000 1.062 402 V CA -0.378 61.938 62.300 0.025 0.000 0.901 402 V CB 1.726 33.569 31.823 0.033 0.000 1.003 402 V HN 0.810 nan 8.190 nan 0.000 0.425 403 L N 3.552 124.750 121.223 -0.042 0.000 2.329 403 L HA 0.894 5.234 4.340 -0.000 0.000 0.279 403 L C 0.122 176.788 176.870 -0.341 0.000 1.014 403 L CA -0.630 54.059 54.840 -0.252 0.000 0.814 403 L CB 1.991 43.794 42.059 -0.427 0.000 1.257 403 L HN 0.750 nan 8.230 nan 0.000 0.424 404 A N 3.110 125.660 122.820 -0.450 0.000 2.303 404 A HA 0.828 5.148 4.320 -0.000 0.000 0.320 404 A C -1.169 176.160 177.584 -0.425 0.000 1.192 404 A CA -0.284 51.595 52.037 -0.262 0.000 0.821 404 A CB 0.463 19.393 19.000 -0.116 0.000 1.188 404 A HN 0.494 nan 8.150 nan 0.000 0.492 405 F N 1.003 120.991 119.950 0.063 0.000 2.538 405 F HA 0.585 5.112 4.527 -0.000 0.000 0.325 405 F C 0.469 176.355 175.800 0.144 0.000 1.066 405 F CA -0.542 57.498 58.000 0.066 0.000 0.946 405 F CB 2.273 41.299 39.000 0.043 0.000 1.199 405 F HN 0.495 nan 8.300 nan 0.000 0.473 406 K N 2.385 122.946 120.400 0.270 0.000 2.323 406 K HA 0.383 4.703 4.320 -0.000 0.000 0.259 406 K C -0.415 176.205 176.600 0.033 0.000 0.947 406 K CA -0.868 55.419 56.287 -0.001 0.000 0.819 406 K CB 1.413 33.907 32.500 -0.009 0.000 1.109 406 K HN 0.730 nan 8.250 nan 0.000 0.429 407 R N 3.687 124.133 120.500 -0.091 0.000 2.570 407 R HA -0.053 4.287 4.340 -0.000 0.000 0.277 407 R C -0.732 175.603 176.300 0.059 0.000 1.039 407 R CA -0.085 56.011 56.100 -0.007 0.000 1.065 407 R CB 0.492 30.748 30.300 -0.072 0.000 0.964 407 R HN 0.645 nan 8.270 nan 0.000 0.428 408 W N 5.908 127.164 121.300 -0.074 0.000 2.318 408 W HA 0.404 5.064 4.660 -0.000 0.000 0.362 408 W C -1.277 175.201 176.519 -0.068 0.000 0.978 408 W CA -0.405 56.904 57.345 -0.061 0.000 1.509 408 W CB 0.570 30.006 29.460 -0.040 0.000 1.437 408 W HN 0.679 nan 8.180 nan 0.000 0.361 409 A N 0.000 122.628 122.820 -0.321 0.000 2.254 409 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 409 A CA 0.000 51.880 52.037 -0.261 0.000 0.836 409 A CB 0.000 18.894 19.000 -0.177 0.000 0.831 409 A HN 0.000 nan 8.150 nan 0.000 0.486