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 2ft3_1_F DATA FIRST_RESID 25 DATA SEQUENCE AMcPFGcHcH LRVVQcSDLG LKAVPKEISP DTTLLDLQNN DISELRKDDF DATA SEQUENCE KGLQHLYALV LVNNKISKIH EKAFSPLRKL QKLYISKNHL VEIPPNLPSS DATA SEQUENCE LVELRIHDNR IRKVPKGVFS GLRNMNCIEM GGNPLENSGF EPGAFDGLKL DATA SEQUENCE NYLRISEAKL TGIPKDLPET LNELHLDHNK IQAIELEDLL RYSKLYRLGL DATA SEQUENCE GHNQIRMIEN GSLSFLPTLR ELHLDNNKLS RVPAGLPDLK LLQVVYLHTN DATA SEQUENCE NITKVGVNDF cPVGFGVKRA YYNGISLFNN PVPYWEVQPA TFRcVTDRLA DATA SEQUENCE IQFGN 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.591 177.584 0.011 0.000 1.274 25 A CA 0.000 52.044 52.037 0.012 0.000 0.836 25 A CB 0.000 19.008 19.000 0.013 0.000 0.831 26 M N 1.135 120.738 119.600 0.006 0.000 2.131 26 M HA 0.161 4.641 4.480 -0.000 0.000 0.283 26 M C 1.104 177.407 176.300 0.004 0.000 1.225 26 M CA 0.406 55.706 55.300 -0.001 0.000 1.153 26 M CB 0.255 32.849 32.600 -0.010 0.000 1.380 26 M HN 1.014 nan 8.290 nan 0.000 0.458 27 c N -0.097 118.500 118.600 -0.005 0.000 2.347 27 c HA 0.692 5.262 4.570 -0.000 0.000 0.366 27 c C -2.205 171.897 174.090 0.019 0.000 1.241 27 c CA -1.890 54.444 56.329 0.008 0.000 2.360 27 c CB -0.339 42.177 42.510 0.009 0.000 2.290 27 c HN 0.530 nan 8.230 nan 0.000 0.587 28 P HA 0.022 nan 4.420 nan 0.000 0.267 28 P C 0.490 177.849 177.300 0.098 0.000 1.195 28 P CA 0.174 63.318 63.100 0.074 0.000 0.773 28 P CB 0.165 31.904 31.700 0.064 0.000 0.837 29 F N 2.244 122.200 119.950 0.010 0.000 2.011 29 F HA -0.215 4.312 4.527 -0.000 0.000 0.296 29 F C 2.377 178.190 175.800 0.022 0.000 1.144 29 F CA 2.774 60.781 58.000 0.012 0.000 1.185 29 F CB -1.039 37.965 39.000 0.007 0.000 0.961 29 F HN 0.416 nan 8.300 nan 0.000 0.485 30 G N -0.429 108.524 108.800 0.254 0.000 2.450 30 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 30 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 30 G C 0.493 175.423 174.900 0.049 0.000 1.130 30 G CA 0.769 45.953 45.100 0.140 0.000 0.760 30 G HN 0.434 nan 8.290 nan 0.000 0.557 31 c N 0.914 119.546 118.600 0.055 0.000 2.679 31 c HA 0.365 4.935 4.570 -0.000 0.000 0.417 31 c C 0.469 174.596 174.090 0.061 0.000 1.302 31 c CA -0.791 55.576 56.329 0.063 0.000 1.973 31 c CB -0.143 42.402 42.510 0.058 0.000 2.715 31 c HN 0.541 nan 8.230 nan 0.000 0.628 32 H N 1.774 120.836 119.070 -0.013 0.000 2.572 32 H HA 0.647 5.203 4.556 -0.000 0.000 0.359 32 H C -0.793 174.543 175.328 0.013 0.000 1.134 32 H CA -0.462 55.575 56.048 -0.019 0.000 1.187 32 H CB 1.694 31.443 29.762 -0.022 0.000 1.597 32 H HN 0.999 nan 8.280 nan 0.000 0.524 33 c N 3.513 121.895 118.600 -0.362 0.000 3.171 33 c HA 0.606 5.176 4.570 -0.000 0.000 0.336 33 c C -1.589 172.417 174.090 -0.139 0.000 1.198 33 c CA -0.853 55.405 56.329 -0.118 0.000 1.319 33 c CB 0.873 43.380 42.510 -0.004 0.000 1.682 33 c HN 1.008 nan 8.230 nan 0.000 0.497 34 H N 2.050 121.053 119.070 -0.112 0.000 2.966 34 H HA 0.618 5.174 4.556 -0.000 0.000 0.347 34 H C -0.111 175.203 175.328 -0.023 0.000 1.048 34 H CA -0.905 55.094 56.048 -0.083 0.000 1.295 34 H CB 1.008 30.753 29.762 -0.028 0.000 1.744 34 H HN 1.126 nan 8.280 nan 0.000 0.513 35 L N 5.497 126.600 121.223 -0.200 0.000 3.746 35 L HA -0.366 3.974 4.340 -0.000 0.000 0.542 35 L C 0.447 177.255 176.870 -0.104 0.000 1.268 35 L CA 0.922 55.618 54.840 -0.239 0.000 0.818 35 L CB -1.201 40.601 42.059 -0.429 0.000 1.472 35 L HN 0.922 nan 8.230 nan 0.000 0.843 36 R N -3.337 117.135 120.500 -0.046 0.000 3.994 36 R HA -0.174 4.166 4.340 -0.000 0.000 0.403 36 R C -0.022 176.291 176.300 0.022 0.000 1.126 36 R CA 1.146 57.241 56.100 -0.009 0.000 1.143 36 R CB -1.768 28.517 30.300 -0.024 0.000 1.695 36 R HN 0.328 nan 8.270 nan 0.000 0.555 37 V N 1.141 121.074 119.914 0.031 0.000 2.435 37 V HA 0.525 4.645 4.120 -0.000 0.000 0.290 37 V C 0.422 176.563 176.094 0.079 0.000 1.030 37 V CA -0.745 61.594 62.300 0.066 0.000 0.881 37 V CB 2.198 34.071 31.823 0.083 0.000 0.983 37 V HN -0.046 nan 8.190 nan 0.000 0.445 38 V N 4.118 124.082 119.914 0.083 0.000 2.407 38 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 38 V C -0.372 175.782 176.094 0.100 0.000 1.018 38 V CA -0.491 61.861 62.300 0.086 0.000 0.842 38 V CB 1.704 33.572 31.823 0.074 0.000 0.996 38 V HN 0.940 nan 8.190 nan 0.000 0.426 39 Q N 4.235 124.110 119.800 0.125 0.000 2.431 39 Q HA 0.381 4.721 4.340 -0.000 0.000 0.249 39 Q C -0.740 175.319 176.000 0.099 0.000 1.025 39 Q CA -0.107 55.766 55.803 0.117 0.000 0.835 39 Q CB 0.963 29.788 28.738 0.144 0.000 1.207 39 Q HN 0.732 nan 8.270 nan 0.000 0.490 40 c N 3.419 122.068 118.600 0.082 0.000 2.878 40 c HA 0.575 5.145 4.570 -0.000 0.000 0.313 40 c C -0.341 173.788 174.090 0.064 0.000 1.397 40 c CA -0.496 55.877 56.329 0.073 0.000 1.636 40 c CB -1.063 41.490 42.510 0.072 0.000 2.075 40 c HN 0.731 nan 8.230 nan 0.000 0.518 41 S N 1.166 116.900 115.700 0.056 0.000 2.501 41 S HA 0.479 4.949 4.470 -0.000 0.000 0.301 41 S C 0.029 174.654 174.600 0.042 0.000 1.096 41 S CA -0.400 57.829 58.200 0.049 0.000 1.063 41 S CB 1.088 64.314 63.200 0.043 0.000 1.042 41 S HN 0.685 nan 8.310 nan 0.000 0.494 42 D N 0.183 120.607 120.400 0.041 0.000 3.076 42 D HA -0.137 4.502 4.640 -0.000 0.000 0.218 42 D C 0.485 176.807 176.300 0.038 0.000 1.156 42 D CA 0.584 54.605 54.000 0.035 0.000 0.921 42 D CB -1.380 39.437 40.800 0.028 0.000 1.113 42 D HN 0.442 nan 8.370 nan 0.000 0.418 43 L N -0.141 121.109 121.223 0.045 0.000 2.446 43 L HA 0.182 4.522 4.340 -0.000 0.000 0.219 43 L C 1.621 178.515 176.870 0.041 0.000 1.116 43 L CA 0.796 55.667 54.840 0.051 0.000 0.844 43 L CB 0.008 42.106 42.059 0.065 0.000 0.970 43 L HN 0.258 nan 8.230 nan 0.000 0.457 44 G N 1.828 110.649 108.800 0.035 0.000 2.374 44 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.289 44 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.289 44 G C -0.135 174.777 174.900 0.020 0.000 1.004 44 G CA -0.147 44.968 45.100 0.026 0.000 1.292 44 G HN 0.195 nan 8.290 nan 0.000 0.502 45 L N 0.091 121.327 121.223 0.022 0.000 2.326 45 L HA 0.319 4.659 4.340 -0.000 0.000 0.278 45 L C 1.921 178.791 176.870 0.001 0.000 1.092 45 L CA -0.391 54.457 54.840 0.013 0.000 0.810 45 L CB 1.041 43.111 42.059 0.018 0.000 1.153 45 L HN 0.591 nan 8.230 nan 0.000 0.439 46 K N 2.080 122.474 120.400 -0.010 0.000 2.097 46 K HA 0.071 4.391 4.320 -0.000 0.000 0.206 46 K C 0.632 177.217 176.600 -0.025 0.000 1.049 46 K CA 1.247 57.523 56.287 -0.019 0.000 0.933 46 K CB 0.013 32.498 32.500 -0.024 0.000 0.717 46 K HN 0.624 nan 8.250 nan 0.000 0.442 47 A N 0.257 123.058 122.820 -0.032 0.000 2.535 47 A HA 0.507 4.827 4.320 -0.000 0.000 0.296 47 A C -1.108 176.439 177.584 -0.061 0.000 1.248 47 A CA -0.856 51.151 52.037 -0.050 0.000 0.686 47 A CB 0.998 19.957 19.000 -0.069 0.000 1.315 47 A HN -0.053 nan 8.150 nan 0.000 0.460 48 V N 2.825 122.671 119.914 -0.113 0.000 2.540 48 V HA 0.265 4.385 4.120 -0.000 0.000 0.297 48 V C -1.791 174.226 176.094 -0.128 0.000 1.024 48 V CA -0.413 61.797 62.300 -0.150 0.000 1.105 48 V CB 0.046 31.652 31.823 -0.360 0.000 0.938 48 V HN 0.751 nan 8.190 nan 0.000 0.482 49 P HA 0.254 nan 4.420 nan 0.000 0.274 49 P C 0.060 177.326 177.300 -0.058 0.000 1.231 49 P CA -0.505 62.569 63.100 -0.043 0.000 0.790 49 P CB 1.145 32.846 31.700 0.001 0.000 0.951 50 K N 0.243 120.616 120.400 -0.044 0.000 2.296 50 K HA 0.014 4.334 4.320 -0.000 0.000 0.200 50 K C 0.443 177.030 176.600 -0.023 0.000 1.048 50 K CA 0.789 57.049 56.287 -0.046 0.000 0.966 50 K CB 0.175 32.652 32.500 -0.039 0.000 0.754 50 K HN 0.407 nan 8.250 nan 0.000 0.466 51 E N 1.554 121.752 120.200 -0.004 0.000 1.924 51 E HA 0.199 4.549 4.350 -0.000 0.000 0.261 51 E C -0.725 175.884 176.600 0.015 0.000 1.088 51 E CA 0.097 56.502 56.400 0.008 0.000 0.909 51 E CB 0.120 29.832 29.700 0.019 0.000 1.112 51 E HN 0.224 nan 8.360 nan 0.000 0.425 52 I N 1.434 122.013 120.570 0.016 0.000 2.466 52 I HA 0.099 4.269 4.170 -0.000 0.000 0.279 52 I C 0.519 176.659 176.117 0.038 0.000 1.033 52 I CA -0.807 60.512 61.300 0.032 0.000 1.123 52 I CB 1.606 39.632 38.000 0.045 0.000 1.237 52 I HN 0.091 nan 8.210 nan 0.000 0.460 53 S N 6.964 122.685 115.700 0.036 0.000 2.599 53 S HA 0.042 4.512 4.470 -0.000 0.000 0.303 53 S C -1.436 173.196 174.600 0.053 0.000 1.267 53 S CA -0.326 57.896 58.200 0.037 0.000 1.055 53 S CB 0.741 63.960 63.200 0.032 0.000 0.790 53 S HN 0.411 nan 8.310 nan 0.000 0.500 54 P HA -0.008 nan 4.420 nan 0.000 0.219 54 P C 0.657 178.021 177.300 0.106 0.000 1.150 54 P CA 0.789 63.929 63.100 0.067 0.000 0.814 54 P CB -0.003 31.726 31.700 0.047 0.000 0.787 55 D N -1.196 119.261 120.400 0.095 0.000 2.357 55 D HA -0.091 4.548 4.640 -0.000 0.000 0.216 55 D C 0.417 176.770 176.300 0.087 0.000 0.973 55 D CA 1.089 55.148 54.000 0.098 0.000 0.912 55 D CB -1.216 39.610 40.800 0.042 0.000 0.900 55 D HN 0.155 nan 8.370 nan 0.000 0.501 56 T N -0.285 114.323 114.554 0.090 0.000 2.888 56 T HA 0.086 4.436 4.350 -0.000 0.000 0.301 56 T C 1.363 176.126 174.700 0.105 0.000 1.001 56 T CA 0.439 62.589 62.100 0.083 0.000 1.147 56 T CB 1.526 70.443 68.868 0.082 0.000 0.931 56 T HN 0.052 nan 8.240 nan 0.000 0.541 57 T N 3.226 117.833 114.554 0.089 0.000 3.056 57 T HA 0.287 4.637 4.350 -0.000 0.000 0.241 57 T C 0.234 175.017 174.700 0.138 0.000 1.006 57 T CA 0.128 62.298 62.100 0.118 0.000 1.115 57 T CB 0.111 69.026 68.868 0.079 0.000 0.939 57 T HN 0.220 nan 8.240 nan 0.000 0.462 58 L N 1.919 123.204 121.223 0.103 0.000 2.346 58 L HA 0.602 4.941 4.340 -0.000 0.000 0.276 58 L C -0.858 176.051 176.870 0.065 0.000 1.006 58 L CA -0.579 54.303 54.840 0.071 0.000 0.817 58 L CB 2.067 44.168 42.059 0.071 0.000 1.272 58 L HN 0.202 nan 8.230 nan 0.000 0.421 59 L N 3.348 124.600 121.223 0.049 0.000 2.388 59 L HA 0.406 4.746 4.340 -0.000 0.000 0.267 59 L C -1.227 175.684 176.870 0.068 0.000 0.995 59 L CA -0.371 54.518 54.840 0.082 0.000 0.864 59 L CB 1.352 43.487 42.059 0.127 0.000 1.216 59 L HN 0.559 nan 8.230 nan 0.000 0.430 60 D N 6.489 126.932 120.400 0.071 0.000 2.443 60 D HA 0.282 4.922 4.640 -0.000 0.000 0.221 60 D C -0.390 175.959 176.300 0.081 0.000 1.097 60 D CA -0.176 53.865 54.000 0.068 0.000 0.865 60 D CB 0.704 41.542 40.800 0.063 0.000 1.034 60 D HN 0.499 nan 8.370 nan 0.000 0.511 61 L N 1.722 123.000 121.223 0.092 0.000 2.495 61 L HA 0.527 4.867 4.340 -0.000 0.000 0.248 61 L C -0.495 176.427 176.870 0.087 0.000 1.229 61 L CA -0.879 54.015 54.840 0.089 0.000 0.942 61 L CB 0.983 43.097 42.059 0.093 0.000 1.242 61 L HN 0.083 nan 8.230 nan 0.000 0.484 62 Q N 2.327 122.172 119.800 0.075 0.000 2.235 62 Q HA 0.277 4.617 4.340 -0.000 0.000 0.256 62 Q C 0.217 176.253 176.000 0.060 0.000 0.951 62 Q CA -0.349 55.497 55.803 0.072 0.000 0.890 62 Q CB 1.412 30.190 28.738 0.067 0.000 1.279 62 Q HN 0.691 nan 8.270 nan 0.000 0.444 63 N N 2.107 120.843 118.700 0.059 0.000 2.671 63 N HA -0.217 4.523 4.740 -0.000 0.000 0.261 63 N C -1.573 173.964 175.510 0.046 0.000 1.053 63 N CA 0.850 53.930 53.050 0.050 0.000 0.732 63 N CB -0.598 37.914 38.487 0.041 0.000 0.887 63 N HN 0.724 nan 8.380 nan 0.000 0.546 64 N N -0.013 118.716 118.700 0.049 0.000 3.312 64 N HA 0.332 5.072 4.740 -0.000 0.000 0.361 64 N C -0.847 174.683 175.510 0.033 0.000 1.476 64 N CA -0.459 52.614 53.050 0.039 0.000 0.669 64 N CB 0.532 39.043 38.487 0.041 0.000 1.629 64 N HN 0.226 nan 8.380 nan 0.000 0.612 65 D N 0.763 121.176 120.400 0.021 0.000 2.740 65 D HA 0.331 4.971 4.640 -0.000 0.000 0.301 65 D C -0.198 176.101 176.300 -0.001 0.000 1.408 65 D CA -0.042 53.962 54.000 0.008 0.000 0.808 65 D CB 0.963 41.762 40.800 -0.002 0.000 1.128 65 D HN 0.332 nan 8.370 nan 0.000 0.465 66 I N 1.166 121.743 120.570 0.012 0.000 2.775 66 I HA -0.111 4.059 4.170 -0.000 0.000 0.290 66 I C 1.416 177.533 176.117 0.000 0.000 1.203 66 I CA 0.648 61.951 61.300 0.006 0.000 1.433 66 I CB 0.872 38.889 38.000 0.028 0.000 1.354 66 I HN -0.111 nan 8.210 nan 0.000 0.579 67 S N 3.664 119.354 115.700 -0.015 0.000 2.575 67 S HA 0.134 4.604 4.470 -0.000 0.000 0.230 67 S C 0.045 174.641 174.600 -0.008 0.000 1.062 67 S CA -0.389 57.794 58.200 -0.028 0.000 0.913 67 S CB 0.203 63.376 63.200 -0.045 0.000 0.837 67 S HN 0.820 nan 8.310 nan 0.000 0.487 68 E N 0.490 120.687 120.200 -0.004 0.000 2.449 68 E HA 0.594 4.944 4.350 -0.000 0.000 0.278 68 E C -1.849 174.747 176.600 -0.007 0.000 0.992 68 E CA -1.107 55.297 56.400 0.006 0.000 0.807 68 E CB 0.859 30.560 29.700 0.001 0.000 1.350 68 E HN -0.149 nan 8.360 nan 0.000 0.462 69 L N 1.519 122.740 121.223 -0.002 0.000 2.333 69 L HA 0.508 4.848 4.340 -0.000 0.000 0.280 69 L C 0.121 176.961 176.870 -0.050 0.000 1.004 69 L CA -0.517 54.297 54.840 -0.043 0.000 0.820 69 L CB 1.042 43.087 42.059 -0.025 0.000 1.247 69 L HN 0.608 nan 8.230 nan 0.000 0.416 70 R N 1.535 121.967 120.500 -0.115 0.000 2.573 70 R HA 0.266 4.606 4.340 -0.000 0.000 0.272 70 R C 1.100 177.252 176.300 -0.247 0.000 1.009 70 R CA -0.718 55.310 56.100 -0.121 0.000 1.059 70 R CB 1.870 32.096 30.300 -0.122 0.000 1.112 70 R HN 0.513 nan 8.270 nan 0.000 0.517 71 K N 1.181 121.275 120.400 -0.510 0.000 2.030 71 K HA -0.247 4.072 4.320 -0.000 0.000 0.222 71 K C 0.131 176.544 176.600 -0.312 0.000 1.056 71 K CA 2.184 58.028 56.287 -0.738 0.000 0.957 71 K CB 0.024 32.045 32.500 -0.799 0.000 0.727 71 K HN 0.532 nan 8.250 nan 0.000 0.452 72 D N 0.346 120.610 120.400 -0.228 0.000 2.427 72 D HA -0.002 4.638 4.640 -0.000 0.000 0.224 72 D C 0.556 176.765 176.300 -0.151 0.000 1.157 72 D CA 0.022 53.938 54.000 -0.141 0.000 0.828 72 D CB 0.410 41.143 40.800 -0.112 0.000 0.974 72 D HN 0.244 nan 8.370 nan 0.000 0.498 73 D N -0.004 120.263 120.400 -0.222 0.000 2.123 73 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 73 D C 0.989 176.985 176.300 -0.507 0.000 0.992 73 D CA 0.973 54.734 54.000 -0.398 0.000 0.833 73 D CB 0.067 40.544 40.800 -0.539 0.000 0.954 73 D HN 0.247 nan 8.370 nan 0.000 0.455 74 F N -0.018 119.881 119.950 -0.085 0.000 2.653 74 F HA 0.233 4.760 4.527 -0.000 0.000 0.304 74 F C 0.816 176.595 175.800 -0.035 0.000 1.092 74 F CA -0.585 57.387 58.000 -0.047 0.000 1.279 74 F CB 0.081 39.061 39.000 -0.033 0.000 1.044 74 F HN -0.359 nan 8.300 nan 0.000 0.564 75 K N 0.974 121.412 120.400 0.064 0.000 2.511 75 K HA 0.138 4.458 4.320 -0.000 0.000 0.277 75 K C 1.266 177.890 176.600 0.039 0.000 1.025 75 K CA 1.220 57.527 56.287 0.034 0.000 1.112 75 K CB -0.065 32.428 32.500 -0.011 0.000 0.859 75 K HN 0.469 nan 8.250 nan 0.000 0.485 76 G N 3.321 112.139 108.800 0.030 0.000 2.160 76 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.251 76 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.251 76 G C -0.203 174.713 174.900 0.027 0.000 1.008 76 G CA 0.027 45.136 45.100 0.015 0.000 0.724 76 G HN 0.474 nan 8.290 nan 0.000 0.514 77 L N 0.735 121.992 121.223 0.056 0.000 3.048 77 L HA 0.341 4.681 4.340 -0.000 0.000 0.234 77 L C 1.853 178.742 176.870 0.031 0.000 1.318 77 L CA 0.241 55.122 54.840 0.068 0.000 1.109 77 L CB 0.419 42.556 42.059 0.129 0.000 1.480 77 L HN 0.418 nan 8.230 nan 0.000 0.495 78 Q N -1.365 118.408 119.800 -0.044 0.000 2.437 78 Q HA -0.120 4.220 4.340 -0.000 0.000 0.210 78 Q C 0.702 176.636 176.000 -0.109 0.000 0.972 78 Q CA 1.163 56.902 55.803 -0.107 0.000 0.903 78 Q CB -0.022 28.591 28.738 -0.209 0.000 0.967 78 Q HN 0.681 nan 8.270 nan 0.000 0.486 79 H N -0.710 118.381 119.070 0.036 0.000 2.586 79 H HA 0.123 4.679 4.556 -0.000 0.000 0.273 79 H C -0.293 175.069 175.328 0.057 0.000 0.997 79 H CA -0.743 55.326 56.048 0.036 0.000 1.177 79 H CB 0.597 30.372 29.762 0.023 0.000 1.471 79 H HN 0.031 nan 8.280 nan 0.000 0.538 80 L N 1.714 123.026 121.223 0.148 0.000 2.534 80 L HA -0.131 4.209 4.340 -0.000 0.000 0.271 80 L C 0.770 177.713 176.870 0.123 0.000 1.178 80 L CA 0.470 55.377 54.840 0.112 0.000 0.907 80 L CB 0.006 42.097 42.059 0.054 0.000 1.164 80 L HN 0.251 nan 8.230 nan 0.000 0.482 81 Y N 5.537 125.830 120.300 -0.010 0.000 2.314 81 Y HA 0.557 5.107 4.550 -0.000 0.000 0.294 81 Y C 0.418 176.267 175.900 -0.085 0.000 1.139 81 Y CA 0.480 58.557 58.100 -0.038 0.000 1.162 81 Y CB 0.157 38.598 38.460 -0.032 0.000 1.121 81 Y HN 0.562 nan 8.280 nan 0.000 0.529 82 A N 1.287 123.842 122.820 -0.441 0.000 2.359 82 A HA 0.607 4.927 4.320 -0.000 0.000 0.303 82 A C -2.173 175.232 177.584 -0.300 0.000 1.066 82 A CA -0.572 51.110 52.037 -0.591 0.000 0.730 82 A CB 1.032 19.535 19.000 -0.828 0.000 1.211 82 A HN 0.389 nan 8.150 nan 0.000 0.439 83 L N 3.484 124.537 121.223 -0.282 0.000 2.349 83 L HA 0.699 5.039 4.340 -0.000 0.000 0.278 83 L C -1.247 175.553 176.870 -0.117 0.000 0.996 83 L CA -0.308 54.446 54.840 -0.143 0.000 0.825 83 L CB 1.880 43.854 42.059 -0.141 0.000 1.243 83 L HN 0.365 nan 8.230 nan 0.000 0.412 84 V N 7.439 127.338 119.914 -0.026 0.000 2.294 84 V HA 0.278 4.398 4.120 -0.000 0.000 0.272 84 V C 0.755 176.916 176.094 0.112 0.000 1.027 84 V CA -0.152 62.183 62.300 0.059 0.000 0.823 84 V CB 1.035 32.904 31.823 0.076 0.000 1.030 84 V HN 0.777 nan 8.190 nan 0.000 0.457 85 L N 4.479 125.785 121.223 0.138 0.000 2.728 85 L HA 0.234 4.574 4.340 -0.000 0.000 0.238 85 L C 0.543 177.492 176.870 0.132 0.000 1.143 85 L CA -0.025 54.905 54.840 0.150 0.000 0.937 85 L CB 0.690 42.861 42.059 0.187 0.000 1.225 85 L HN 0.445 nan 8.230 nan 0.000 0.507 86 V N 0.687 120.677 119.914 0.126 0.000 3.061 86 V HA -0.134 3.986 4.120 -0.000 0.000 0.306 86 V C 1.142 177.287 176.094 0.085 0.000 1.118 86 V CA 0.245 62.605 62.300 0.100 0.000 1.231 86 V CB -0.021 31.847 31.823 0.076 0.000 0.956 86 V HN 0.688 nan 8.190 nan 0.000 0.499 87 N N 2.266 121.012 118.700 0.077 0.000 2.727 87 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 87 N C -0.348 175.211 175.510 0.080 0.000 1.040 87 N CA 0.921 54.014 53.050 0.071 0.000 0.712 87 N CB -0.997 37.521 38.487 0.052 0.000 0.912 87 N HN 0.929 nan 8.380 nan 0.000 0.545 88 N N 0.062 118.822 118.700 0.099 0.000 2.966 88 N HA 0.396 5.136 4.740 -0.000 0.000 0.314 88 N C -0.364 175.226 175.510 0.133 0.000 1.397 88 N CA -0.558 52.550 53.050 0.097 0.000 0.776 88 N CB 0.787 39.327 38.487 0.090 0.000 1.576 88 N HN 0.270 nan 8.380 nan 0.000 0.592 89 K N 0.836 121.287 120.400 0.086 0.000 3.122 89 K HA 0.459 4.779 4.320 -0.000 0.000 0.193 89 K C -0.337 176.267 176.600 0.006 0.000 1.141 89 K CA -0.253 56.070 56.287 0.060 0.000 0.975 89 K CB -0.023 32.363 32.500 -0.190 0.000 1.173 89 K HN 0.369 nan 8.250 nan 0.000 0.546 90 I N 1.991 122.624 120.570 0.105 0.000 2.634 90 I HA -0.082 4.088 4.170 -0.000 0.000 0.284 90 I C 0.956 177.135 176.117 0.103 0.000 1.124 90 I CA 0.322 61.673 61.300 0.086 0.000 1.417 90 I CB 1.253 39.322 38.000 0.115 0.000 1.396 90 I HN 0.653 nan 8.210 nan 0.000 0.571 91 S N 3.569 119.307 115.700 0.063 0.000 2.700 91 S HA 0.297 4.767 4.470 -0.000 0.000 0.272 91 S C 0.087 174.715 174.600 0.048 0.000 1.052 91 S CA -0.585 57.658 58.200 0.072 0.000 1.317 91 S CB 0.287 63.516 63.200 0.048 0.000 1.212 91 S HN 0.550 nan 8.310 nan 0.000 0.675 92 K N 1.372 121.795 120.400 0.038 0.000 2.541 92 K HA 0.588 4.908 4.320 -0.000 0.000 0.250 92 K C -1.690 174.933 176.600 0.039 0.000 0.950 92 K CA -0.336 55.969 56.287 0.029 0.000 0.805 92 K CB 2.136 34.644 32.500 0.013 0.000 1.166 92 K HN 0.240 nan 8.250 nan 0.000 0.430 93 I N 3.103 123.700 120.570 0.045 0.000 2.437 93 I HA 0.144 4.314 4.170 -0.000 0.000 0.279 93 I C 0.182 176.333 176.117 0.056 0.000 1.028 93 I CA -0.900 60.430 61.300 0.049 0.000 1.142 93 I CB 0.860 38.913 38.000 0.087 0.000 1.266 93 I HN 0.607 nan 8.210 nan 0.000 0.461 94 H N 6.454 125.497 119.070 -0.044 0.000 3.073 94 H HA -0.041 4.515 4.556 -0.000 0.000 0.340 94 H C 0.850 176.160 175.328 -0.030 0.000 1.054 94 H CA 1.273 57.298 56.048 -0.039 0.000 1.372 94 H CB 1.074 30.805 29.762 -0.051 0.000 1.314 94 H HN 0.668 nan 8.280 nan 0.000 0.603 95 E N 3.373 123.596 120.200 0.039 0.000 2.038 95 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 95 E C 1.198 177.941 176.600 0.238 0.000 1.000 95 E CA 0.953 57.424 56.400 0.118 0.000 0.803 95 E CB 0.160 29.861 29.700 0.001 0.000 0.750 95 E HN 0.460 nan 8.360 nan 0.000 0.448 96 K N 0.402 121.035 120.400 0.387 0.000 2.546 96 K HA 0.149 4.469 4.320 -0.000 0.000 0.198 96 K C 1.348 177.970 176.600 0.036 0.000 1.028 96 K CA 0.183 56.560 56.287 0.150 0.000 1.150 96 K CB 0.247 32.804 32.500 0.095 0.000 0.876 96 K HN 0.085 nan 8.250 nan 0.000 0.508 97 A N 0.209 123.046 122.820 0.027 0.000 1.877 97 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 97 A C 1.654 179.141 177.584 -0.162 0.000 1.186 97 A CA 1.193 53.147 52.037 -0.140 0.000 0.620 97 A CB -0.451 18.383 19.000 -0.278 0.000 0.822 97 A HN 0.288 nan 8.150 nan 0.000 0.443 98 F N -0.264 119.724 119.950 0.063 0.000 2.776 98 F HA 0.065 4.591 4.527 -0.000 0.000 0.300 98 F C 2.384 178.175 175.800 -0.014 0.000 1.116 98 F CA 0.468 58.457 58.000 -0.019 0.000 1.375 98 F CB 0.150 39.115 39.000 -0.058 0.000 1.109 98 F HN 0.073 nan 8.300 nan 0.000 0.585 99 S N 1.105 116.890 115.700 0.141 0.000 2.402 99 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 99 S C -0.416 174.220 174.600 0.060 0.000 1.030 99 S CA 1.273 59.527 58.200 0.089 0.000 1.003 99 S CB -1.224 62.016 63.200 0.067 0.000 0.813 99 S HN 0.315 nan 8.310 nan 0.000 0.477 100 P HA 0.043 nan 4.420 nan 0.000 0.234 100 P C 0.182 177.503 177.300 0.035 0.000 1.167 100 P CA 0.666 63.792 63.100 0.043 0.000 0.763 100 P CB -0.178 31.559 31.700 0.061 0.000 0.835 101 L N 0.441 121.690 121.223 0.044 0.000 2.934 101 L HA 0.259 4.599 4.340 -0.000 0.000 0.233 101 L C 2.199 179.075 176.870 0.010 0.000 1.358 101 L CA -0.344 54.507 54.840 0.020 0.000 1.233 101 L CB -0.337 41.726 42.059 0.007 0.000 1.594 101 L HN -0.139 nan 8.230 nan 0.000 0.439 102 R N 0.875 121.378 120.500 0.005 0.000 2.226 102 R HA -0.175 4.165 4.340 -0.000 0.000 0.246 102 R C 1.172 177.482 176.300 0.017 0.000 1.161 102 R CA 1.468 57.571 56.100 0.005 0.000 0.997 102 R CB 0.218 30.514 30.300 -0.007 0.000 0.870 102 R HN 0.427 nan 8.270 nan 0.000 0.465 103 K N 0.010 120.429 120.400 0.032 0.000 2.402 103 K HA 0.173 4.493 4.320 -0.000 0.000 0.204 103 K C 0.056 176.704 176.600 0.079 0.000 1.056 103 K CA -0.391 55.935 56.287 0.065 0.000 1.069 103 K CB 0.454 33.016 32.500 0.104 0.000 0.888 103 K HN 0.039 nan 8.250 nan 0.000 0.546 104 L N 2.634 123.876 121.223 0.031 0.000 2.737 104 L HA -0.125 4.215 4.340 -0.000 0.000 0.275 104 L C 0.513 177.356 176.870 -0.045 0.000 1.179 104 L CA 1.353 56.178 54.840 -0.024 0.000 0.970 104 L CB 0.374 42.384 42.059 -0.082 0.000 1.268 104 L HN 0.405 nan 8.230 nan 0.000 0.485 105 Q N 3.668 123.435 119.800 -0.055 0.000 2.390 105 Q HA 0.130 4.470 4.340 -0.000 0.000 0.216 105 Q C -0.051 175.825 176.000 -0.207 0.000 0.916 105 Q CA 0.509 56.273 55.803 -0.066 0.000 0.911 105 Q CB 0.671 29.480 28.738 0.119 0.000 1.035 105 Q HN 0.578 nan 8.270 nan 0.000 0.541 106 K N 1.277 121.420 120.400 -0.428 0.000 2.235 106 K HA 0.391 4.711 4.320 -0.000 0.000 0.266 106 K C -1.415 174.920 176.600 -0.442 0.000 0.980 106 K CA -0.518 55.476 56.287 -0.488 0.000 0.849 106 K CB 1.691 33.726 32.500 -0.776 0.000 1.098 106 K HN -0.098 nan 8.250 nan 0.000 0.445 107 L N 4.345 125.399 121.223 -0.283 0.000 2.388 107 L HA 0.337 4.677 4.340 -0.000 0.000 0.267 107 L C -1.813 175.071 176.870 0.024 0.000 0.995 107 L CA -0.506 54.218 54.840 -0.193 0.000 0.864 107 L CB 0.540 42.463 42.059 -0.227 0.000 1.216 107 L HN 0.416 nan 8.230 nan 0.000 0.430 108 Y N 6.390 126.646 120.300 -0.073 0.000 2.404 108 Y HA 0.467 5.016 4.550 -0.000 0.000 0.344 108 Y C 0.792 176.698 175.900 0.010 0.000 0.970 108 Y CA -1.386 56.694 58.100 -0.033 0.000 1.180 108 Y CB 0.804 39.242 38.460 -0.037 0.000 1.138 108 Y HN 0.560 nan 8.280 nan 0.000 0.510 109 I N -0.373 120.299 120.570 0.170 0.000 2.944 109 I HA 0.424 4.594 4.170 -0.000 0.000 0.334 109 I C -0.169 176.018 176.117 0.116 0.000 1.420 109 I CA -0.316 61.068 61.300 0.141 0.000 0.856 109 I CB 0.149 38.234 38.000 0.143 0.000 2.091 109 I HN 0.163 nan 8.210 nan 0.000 0.571 110 S N 1.430 117.189 115.700 0.098 0.000 2.624 110 S HA 0.284 4.754 4.470 -0.000 0.000 0.263 110 S C 0.419 175.070 174.600 0.085 0.000 1.287 110 S CA -0.370 57.884 58.200 0.090 0.000 0.990 110 S CB 0.572 63.807 63.200 0.058 0.000 0.950 110 S HN 0.517 nan 8.310 nan 0.000 0.561 111 K N 1.175 121.626 120.400 0.086 0.000 3.689 111 K HA -0.203 4.117 4.320 -0.000 0.000 0.276 111 K C -0.571 176.075 176.600 0.078 0.000 0.932 111 K CA 0.458 56.784 56.287 0.064 0.000 0.758 111 K CB -1.517 31.015 32.500 0.054 0.000 1.500 111 K HN 0.558 nan 8.250 nan 0.000 0.448 112 N N -0.947 117.797 118.700 0.073 0.000 2.831 112 N HA 0.233 4.973 4.740 -0.000 0.000 0.276 112 N C -0.156 175.400 175.510 0.076 0.000 1.416 112 N CA -0.834 52.296 53.050 0.133 0.000 0.799 112 N CB 0.934 39.508 38.487 0.144 0.000 1.554 112 N HN 0.188 nan 8.380 nan 0.000 0.541 113 H N 0.195 119.288 119.070 0.037 0.000 2.524 113 H HA 0.336 4.892 4.556 -0.000 0.000 0.280 113 H C 0.048 175.392 175.328 0.026 0.000 1.018 113 H CA -0.128 55.936 56.048 0.027 0.000 1.165 113 H CB -0.134 29.642 29.762 0.023 0.000 1.411 113 H HN 0.215 nan 8.280 nan 0.000 0.569 114 L N 1.059 122.353 121.223 0.119 0.000 2.581 114 L HA -0.105 4.235 4.340 -0.000 0.000 0.299 114 L C 0.922 177.822 176.870 0.049 0.000 1.261 114 L CA 0.405 55.294 54.840 0.083 0.000 0.866 114 L CB 0.552 42.656 42.059 0.075 0.000 1.113 114 L HN 0.240 nan 8.230 nan 0.000 0.514 115 V N -1.493 118.443 119.914 0.037 0.000 3.166 115 V HA 0.477 4.597 4.120 -0.000 0.000 0.332 115 V C -0.369 175.724 176.094 -0.002 0.000 1.434 115 V CA -0.160 62.148 62.300 0.014 0.000 1.121 115 V CB 0.428 32.261 31.823 0.017 0.000 1.062 115 V HN 0.847 nan 8.190 nan 0.000 0.489 116 E N 0.295 120.495 120.200 0.000 0.000 2.431 116 E HA 0.357 4.707 4.350 -0.000 0.000 0.287 116 E C -1.222 175.369 176.600 -0.015 0.000 1.032 116 E CA -0.684 55.706 56.400 -0.017 0.000 0.839 116 E CB 1.020 30.708 29.700 -0.020 0.000 1.218 116 E HN 0.063 nan 8.360 nan 0.000 0.424 117 I N 4.465 125.010 120.570 -0.043 0.000 2.741 117 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 117 I C -1.762 174.307 176.117 -0.080 0.000 1.192 117 I CA -1.339 59.920 61.300 -0.068 0.000 1.426 117 I CB -0.396 37.504 38.000 -0.166 0.000 1.367 117 I HN 0.468 nan 8.210 nan 0.000 0.563 118 P HA 0.106 nan 4.420 nan 0.000 0.266 118 P C -2.413 174.859 177.300 -0.046 0.000 1.195 118 P CA -0.486 62.631 63.100 0.029 0.000 0.768 118 P CB 0.026 31.812 31.700 0.144 0.000 0.838 119 P HA 0.299 nan 4.420 nan 0.000 0.285 119 P C -0.808 176.507 177.300 0.025 0.000 1.280 119 P CA -0.844 62.233 63.100 -0.039 0.000 0.862 119 P CB 0.458 32.140 31.700 -0.031 0.000 1.153 120 N N -1.971 116.724 118.700 -0.008 0.000 2.754 120 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 120 N C -0.702 174.828 175.510 0.033 0.000 1.093 120 N CA 0.122 53.189 53.050 0.029 0.000 0.699 120 N CB -2.130 36.402 38.487 0.076 0.000 1.016 120 N HN 0.236 nan 8.380 nan 0.000 0.552 121 L N -0.320 120.870 121.223 -0.055 0.000 2.467 121 L HA 0.334 4.674 4.340 -0.000 0.000 0.270 121 L C -1.520 175.297 176.870 -0.087 0.000 1.205 121 L CA -1.312 53.433 54.840 -0.158 0.000 0.828 121 L CB -0.367 41.553 42.059 -0.231 0.000 1.101 121 L HN -0.090 nan 8.230 nan 0.000 0.479 122 P HA 0.001 nan 4.420 nan 0.000 0.261 122 P C 0.422 177.702 177.300 -0.032 0.000 1.183 122 P CA 0.407 63.479 63.100 -0.047 0.000 0.761 122 P CB 0.563 32.224 31.700 -0.066 0.000 0.785 123 S N 1.815 117.511 115.700 -0.006 0.000 2.419 123 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 123 S C 1.847 176.452 174.600 0.008 0.000 1.019 123 S CA 1.738 59.942 58.200 0.006 0.000 0.982 123 S CB -0.534 62.673 63.200 0.013 0.000 0.789 123 S HN 0.656 nan 8.310 nan 0.000 0.490 124 S N 1.136 116.838 115.700 0.004 0.000 2.399 124 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 124 S C 0.760 175.364 174.600 0.007 0.000 1.022 124 S CA 0.107 58.314 58.200 0.012 0.000 0.983 124 S CB -0.665 62.546 63.200 0.017 0.000 0.803 124 S HN 0.350 nan 8.310 nan 0.000 0.480 125 L N 3.433 124.645 121.223 -0.020 0.000 2.667 125 L HA 0.050 4.390 4.340 -0.000 0.000 0.278 125 L C 1.134 177.999 176.870 -0.008 0.000 1.217 125 L CA 0.269 55.086 54.840 -0.039 0.000 0.935 125 L CB 0.721 42.738 42.059 -0.069 0.000 1.193 125 L HN 0.269 nan 8.230 nan 0.000 0.493 126 V N 1.023 120.931 119.914 -0.009 0.000 3.212 126 V HA 0.336 4.456 4.120 -0.000 0.000 0.244 126 V C 0.592 176.691 176.094 0.008 0.000 1.151 126 V CA 0.325 62.630 62.300 0.010 0.000 1.119 126 V CB -0.108 31.728 31.823 0.022 0.000 0.838 126 V HN 0.803 nan 8.190 nan 0.000 0.470 127 E N 0.659 120.854 120.200 -0.008 0.000 2.210 127 E HA 0.575 4.925 4.350 -0.000 0.000 0.266 127 E C -1.570 175.061 176.600 0.052 0.000 0.883 127 E CA -0.914 55.502 56.400 0.027 0.000 0.761 127 E CB 2.095 31.826 29.700 0.052 0.000 1.156 127 E HN 0.414 nan 8.360 nan 0.000 0.412 128 L N 4.681 125.955 121.223 0.086 0.000 2.427 128 L HA 0.458 4.798 4.340 -0.000 0.000 0.264 128 L C -1.332 175.613 176.870 0.124 0.000 0.989 128 L CA -0.346 54.555 54.840 0.102 0.000 0.865 128 L CB 1.120 43.238 42.059 0.098 0.000 1.209 128 L HN 0.496 nan 8.230 nan 0.000 0.430 129 R N 5.280 125.886 120.500 0.178 0.000 2.216 129 R HA 0.416 4.756 4.340 -0.000 0.000 0.332 129 R C -0.166 176.188 176.300 0.090 0.000 1.056 129 R CA -0.142 55.993 56.100 0.057 0.000 0.901 129 R CB 1.132 31.323 30.300 -0.182 0.000 1.039 129 R HN 0.769 nan 8.270 nan 0.000 0.456 130 I N 2.856 123.486 120.570 0.100 0.000 3.083 130 I HA 0.092 4.262 4.170 -0.000 0.000 0.336 130 I C -0.322 175.852 176.117 0.096 0.000 1.497 130 I CA -0.459 60.902 61.300 0.102 0.000 0.936 130 I CB -0.082 37.978 38.000 0.101 0.000 1.671 130 I HN 0.627 nan 8.210 nan 0.000 0.535 131 H N 1.274 120.349 119.070 0.008 0.000 2.597 131 H HA 0.107 4.663 4.556 -0.000 0.000 0.370 131 H C 0.308 175.632 175.328 -0.007 0.000 1.281 131 H CA 1.051 57.097 56.048 -0.003 0.000 1.422 131 H CB 0.630 30.371 29.762 -0.034 0.000 1.524 131 H HN 0.293 nan 8.280 nan 0.000 0.607 132 D N 0.752 121.141 120.400 -0.018 0.000 2.701 132 D HA -0.253 4.387 4.640 -0.000 0.000 0.235 132 D C -0.487 175.799 176.300 -0.025 0.000 1.155 132 D CA 0.808 54.828 54.000 0.034 0.000 0.649 132 D CB -0.837 40.046 40.800 0.137 0.000 1.050 132 D HN 0.527 nan 8.370 nan 0.000 0.425 133 N N -0.500 118.168 118.700 -0.054 0.000 2.867 133 N HA 0.411 5.151 4.740 -0.000 0.000 0.326 133 N C 0.825 176.295 175.510 -0.067 0.000 1.355 133 N CA -0.565 52.458 53.050 -0.045 0.000 0.830 133 N CB 0.743 39.227 38.487 -0.004 0.000 1.152 133 N HN -0.033 nan 8.380 nan 0.000 0.569 134 R N 0.114 120.585 120.500 -0.048 0.000 2.629 134 R HA 0.419 4.759 4.340 -0.000 0.000 0.408 134 R C -0.437 175.841 176.300 -0.037 0.000 1.057 134 R CA -0.220 55.850 56.100 -0.049 0.000 1.119 134 R CB 0.134 30.409 30.300 -0.043 0.000 1.403 134 R HN 0.425 nan 8.270 nan 0.000 0.576 135 I N 1.313 121.860 120.570 -0.037 0.000 2.581 135 I HA -0.011 4.159 4.170 -0.000 0.000 0.285 135 I C 1.373 177.448 176.117 -0.069 0.000 1.129 135 I CA 0.497 61.772 61.300 -0.041 0.000 1.397 135 I CB 0.675 38.659 38.000 -0.027 0.000 1.399 135 I HN 0.106 nan 8.210 nan 0.000 0.537 136 R N 5.143 125.602 120.500 -0.070 0.000 2.265 136 R HA 0.123 4.463 4.340 -0.000 0.000 0.194 136 R C -0.244 175.982 176.300 -0.124 0.000 0.931 136 R CA 0.422 56.469 56.100 -0.088 0.000 1.032 136 R CB 0.309 30.573 30.300 -0.060 0.000 0.980 136 R HN 0.602 nan 8.270 nan 0.000 0.497 137 K N -0.535 119.797 120.400 -0.115 0.000 2.525 137 K HA 0.341 4.661 4.320 -0.000 0.000 0.254 137 K C -1.412 175.124 176.600 -0.106 0.000 0.934 137 K CA -0.797 55.410 56.287 -0.134 0.000 0.802 137 K CB 2.522 34.973 32.500 -0.082 0.000 1.295 137 K HN -0.203 nan 8.250 nan 0.000 0.433 138 V N 3.571 123.420 119.914 -0.109 0.000 2.357 138 V HA 0.421 4.541 4.120 -0.000 0.000 0.284 138 V C -2.477 173.625 176.094 0.014 0.000 1.018 138 V CA -2.083 60.207 62.300 -0.018 0.000 0.841 138 V CB 1.277 33.147 31.823 0.078 0.000 0.991 138 V HN 0.761 nan 8.190 nan 0.000 0.437 139 P HA 0.308 nan 4.420 nan 0.000 0.312 139 P C 0.150 177.447 177.300 -0.006 0.000 1.307 139 P CA -0.226 62.867 63.100 -0.013 0.000 0.738 139 P CB 0.640 32.318 31.700 -0.037 0.000 1.422 140 K N -1.010 119.387 120.400 -0.005 0.000 2.107 140 K HA 0.124 4.444 4.320 -0.000 0.000 0.211 140 K C 1.980 178.583 176.600 0.005 0.000 1.024 140 K CA 0.940 57.233 56.287 0.010 0.000 0.953 140 K CB -1.417 31.094 32.500 0.019 0.000 0.831 140 K HN 0.345 nan 8.250 nan 0.000 0.454 141 G N 1.776 110.571 108.800 -0.009 0.000 3.028 141 G HA2 0.026 3.986 3.960 -0.000 0.000 0.205 141 G HA3 0.026 3.986 3.960 -0.000 0.000 0.205 141 G C 1.231 176.098 174.900 -0.056 0.000 1.182 141 G CA 0.158 45.252 45.100 -0.011 0.000 0.860 141 G HN 0.158 nan 8.290 nan 0.000 0.507 142 V N -0.398 119.442 119.914 -0.124 0.000 2.295 142 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 142 V C 1.970 177.781 176.094 -0.472 0.000 1.049 142 V CA 1.320 63.419 62.300 -0.335 0.000 1.024 142 V CB -0.671 30.841 31.823 -0.517 0.000 0.648 142 V HN 0.372 nan 8.190 nan 0.000 0.447 143 F N -0.328 119.585 119.950 -0.062 0.000 2.693 143 F HA 0.277 4.804 4.527 -0.000 0.000 0.303 143 F C 2.355 178.151 175.800 -0.007 0.000 1.097 143 F CA 0.468 58.451 58.000 -0.027 0.000 1.330 143 F CB -0.363 38.631 39.000 -0.010 0.000 1.067 143 F HN -0.032 nan 8.300 nan 0.000 0.565 144 S N 0.799 116.564 115.700 0.109 0.000 2.372 144 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 144 S C 2.507 177.147 174.600 0.067 0.000 1.044 144 S CA 1.952 60.200 58.200 0.080 0.000 1.050 144 S CB -0.759 62.464 63.200 0.039 0.000 0.901 144 S HN 0.511 nan 8.310 nan 0.000 0.447 145 G N 2.299 111.126 108.800 0.045 0.000 2.604 145 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.216 145 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.216 145 G C 0.384 175.314 174.900 0.050 0.000 1.265 145 G CA 0.780 45.901 45.100 0.036 0.000 0.804 145 G HN 0.579 nan 8.290 nan 0.000 0.579 146 L N -0.263 120.999 121.223 0.065 0.000 2.605 146 L HA 0.085 4.425 4.340 -0.000 0.000 0.296 146 L C 1.299 178.209 176.870 0.067 0.000 1.255 146 L CA 0.516 55.398 54.840 0.069 0.000 0.879 146 L CB 0.124 42.248 42.059 0.108 0.000 1.124 146 L HN 0.258 nan 8.230 nan 0.000 0.507 147 R N 1.205 121.734 120.500 0.048 0.000 2.527 147 R HA 0.182 4.522 4.340 -0.000 0.000 0.402 147 R C 0.268 176.588 176.300 0.033 0.000 0.933 147 R CA -0.119 56.005 56.100 0.040 0.000 1.171 147 R CB 0.374 30.693 30.300 0.032 0.000 1.612 147 R HN 0.717 nan 8.270 nan 0.000 0.546 148 N N -0.116 118.605 118.700 0.035 0.000 2.159 148 N HA 0.121 4.861 4.740 -0.000 0.000 0.217 148 N C 0.107 175.635 175.510 0.030 0.000 1.223 148 N CA -0.242 52.824 53.050 0.028 0.000 0.896 148 N CB 0.718 39.220 38.487 0.025 0.000 1.064 148 N HN -0.079 nan 8.380 nan 0.000 0.518 149 M N 1.877 121.502 119.600 0.042 0.000 2.162 149 M HA -0.050 4.430 4.480 -0.000 0.000 0.273 149 M C 1.195 177.510 176.300 0.025 0.000 1.189 149 M CA 1.367 56.694 55.300 0.044 0.000 1.132 149 M CB -0.328 32.313 32.600 0.068 0.000 1.358 149 M HN 0.429 nan 8.290 nan 0.000 0.430 150 N N -2.406 116.308 118.700 0.024 0.000 2.031 150 N HA -0.005 4.734 4.740 -0.000 0.000 0.268 150 N C -0.832 174.703 175.510 0.042 0.000 1.408 150 N CA -0.341 52.721 53.050 0.020 0.000 1.088 150 N CB -0.173 38.320 38.487 0.011 0.000 1.411 150 N HN 0.521 nan 8.380 nan 0.000 0.738 151 C N 1.270 120.587 119.300 0.030 0.000 2.516 151 C HA 0.758 5.218 4.460 -0.000 0.000 0.338 151 C C -1.529 173.479 174.990 0.030 0.000 1.132 151 C CA -0.464 58.548 59.018 -0.010 0.000 1.310 151 C CB -0.028 27.645 27.740 -0.111 0.000 1.898 151 C HN 0.391 nan 8.230 nan 0.000 0.452 152 I N 5.669 126.295 120.570 0.093 0.000 2.560 152 I HA 0.265 4.435 4.170 -0.000 0.000 0.283 152 I C -0.551 175.654 176.117 0.146 0.000 1.115 152 I CA -0.147 61.223 61.300 0.117 0.000 1.066 152 I CB 1.382 39.453 38.000 0.119 0.000 1.221 152 I HN 0.567 nan 8.210 nan 0.000 0.450 153 E N 7.124 127.387 120.200 0.105 0.000 2.152 153 E HA 0.360 4.710 4.350 -0.000 0.000 0.285 153 E C -0.023 176.666 176.600 0.148 0.000 1.043 153 E CA -0.087 56.392 56.400 0.132 0.000 0.839 153 E CB 1.469 31.214 29.700 0.075 0.000 1.069 153 E HN 0.572 nan 8.360 nan 0.000 0.399 154 M N 1.658 121.345 119.600 0.145 0.000 2.416 154 M HA 0.224 4.704 4.480 -0.000 0.000 0.337 154 M C 0.925 177.213 176.300 -0.021 0.000 1.074 154 M CA -0.361 55.004 55.300 0.108 0.000 0.968 154 M CB 1.246 33.969 32.600 0.206 0.000 1.472 154 M HN 0.310 nan 8.290 nan 0.000 0.539 155 G N -0.182 108.557 108.800 -0.102 0.000 2.653 155 G HA2 0.403 4.363 3.960 -0.000 0.000 0.265 155 G HA3 0.403 4.363 3.960 -0.000 0.000 0.265 155 G C 0.971 175.379 174.900 -0.821 0.000 1.237 155 G CA 0.230 45.147 45.100 -0.305 0.000 0.946 155 G HN 0.580 nan 8.290 nan 0.000 0.522 156 G N -1.262 107.197 108.800 -0.568 0.000 2.166 156 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 156 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 156 G C 0.375 175.127 174.900 -0.248 0.000 0.986 156 G CA 0.500 45.341 45.100 -0.432 0.000 0.683 156 G HN 0.732 nan 8.290 nan 0.000 0.527 157 N N 0.332 118.919 118.700 -0.189 0.000 2.432 157 N HA 0.571 5.311 4.740 -0.000 0.000 0.292 157 N C -3.009 172.456 175.510 -0.075 0.000 1.193 157 N CA -1.377 51.608 53.050 -0.109 0.000 0.878 157 N CB 2.667 41.102 38.487 -0.086 0.000 1.252 157 N HN 0.028 nan 8.380 nan 0.000 0.520 158 P HA 0.314 nan 4.420 nan 0.000 0.241 158 P C -1.256 175.996 177.300 -0.080 0.000 1.696 158 P CA -0.312 62.754 63.100 -0.057 0.000 1.175 158 P CB 0.063 31.734 31.700 -0.048 0.000 1.551 159 L N 0.117 121.282 121.223 -0.095 0.000 2.410 159 L HA 0.674 5.014 4.340 -0.000 0.000 0.270 159 L C -0.273 176.527 176.870 -0.117 0.000 0.983 159 L CA -1.040 53.700 54.840 -0.168 0.000 0.822 159 L CB 2.689 44.544 42.059 -0.340 0.000 1.285 159 L HN 0.008 nan 8.230 nan 0.000 0.409 160 E N 1.548 121.692 120.200 -0.093 0.000 2.292 160 E HA 0.262 4.612 4.350 -0.000 0.000 0.258 160 E C -0.034 176.568 176.600 0.004 0.000 1.115 160 E CA -0.454 55.936 56.400 -0.017 0.000 0.929 160 E CB 1.238 30.936 29.700 -0.004 0.000 1.161 160 E HN 0.719 nan 8.360 nan 0.000 0.453 161 N N 0.100 118.862 118.700 0.104 0.000 2.166 161 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 161 N C 1.748 177.365 175.510 0.178 0.000 1.019 161 N CA 1.484 54.669 53.050 0.225 0.000 0.856 161 N CB 0.046 38.649 38.487 0.194 0.000 0.993 161 N HN 0.389 nan 8.380 nan 0.000 0.426 162 S N -0.479 115.271 115.700 0.083 0.000 2.402 162 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 162 S C 2.181 176.795 174.600 0.024 0.000 1.030 162 S CA 1.197 59.431 58.200 0.057 0.000 1.003 162 S CB -1.131 62.087 63.200 0.030 0.000 0.813 162 S HN 0.393 nan 8.310 nan 0.000 0.477 163 G N 1.098 109.865 108.800 -0.054 0.000 2.442 163 G HA2 0.012 3.972 3.960 -0.000 0.000 0.219 163 G HA3 0.012 3.972 3.960 -0.000 0.000 0.219 163 G C 0.415 175.219 174.900 -0.160 0.000 1.141 163 G CA 0.340 45.347 45.100 -0.156 0.000 0.763 163 G HN 0.486 nan 8.290 nan 0.000 0.554 164 F N 0.127 120.112 119.950 0.058 0.000 2.480 164 F HA 0.464 4.991 4.527 -0.000 0.000 0.319 164 F C 0.762 176.591 175.800 0.048 0.000 1.230 164 F CA -0.381 57.662 58.000 0.070 0.000 1.285 164 F CB 0.675 39.750 39.000 0.125 0.000 1.208 164 F HN 0.070 nan 8.300 nan 0.000 0.579 165 E N 1.943 122.310 120.200 0.278 0.000 2.343 165 E HA 0.302 4.652 4.350 -0.000 0.000 0.278 165 E C -2.811 173.867 176.600 0.129 0.000 0.910 165 E CA -2.514 53.975 56.400 0.148 0.000 0.757 165 E CB 2.063 31.816 29.700 0.089 0.000 1.218 165 E HN 0.120 nan 8.360 nan 0.000 0.435 166 P HA -0.033 nan 4.420 nan 0.000 0.255 166 P C 0.430 177.770 177.300 0.067 0.000 1.161 166 P CA 1.526 64.670 63.100 0.074 0.000 0.768 166 P CB 0.053 31.784 31.700 0.052 0.000 0.746 167 G N 3.107 111.953 108.800 0.076 0.000 2.182 167 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 167 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 167 G C 0.961 175.900 174.900 0.065 0.000 1.042 167 G CA 0.156 45.299 45.100 0.071 0.000 0.775 167 G HN 0.707 nan 8.290 nan 0.000 0.501 168 A N -0.720 122.134 122.820 0.056 0.000 1.929 168 A HA 0.468 4.788 4.320 -0.000 0.000 0.216 168 A C 1.545 179.016 177.584 -0.188 0.000 1.176 168 A CA 1.669 53.671 52.037 -0.059 0.000 0.628 168 A CB -0.140 18.805 19.000 -0.091 0.000 0.816 168 A HN 0.734 nan 8.150 nan 0.000 0.444 169 F N 0.615 120.601 119.950 0.060 0.000 2.660 169 F HA 0.219 4.746 4.527 -0.000 0.000 0.297 169 F C 0.079 175.873 175.800 -0.009 0.000 1.132 169 F CA -1.157 56.808 58.000 -0.058 0.000 1.372 169 F CB -0.370 38.514 39.000 -0.194 0.000 1.003 169 F HN 0.040 nan 8.300 nan 0.000 0.524 170 D N 1.090 121.573 120.400 0.138 0.000 2.586 170 D HA 0.236 4.876 4.640 -0.000 0.000 0.234 170 D C 0.875 177.233 176.300 0.097 0.000 1.132 170 D CA 1.312 55.374 54.000 0.103 0.000 0.860 170 D CB 0.442 41.289 40.800 0.078 0.000 1.159 170 D HN 0.483 nan 8.370 nan 0.000 0.490 171 G N 3.230 112.074 108.800 0.074 0.000 2.222 171 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.234 171 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.234 171 G C -0.291 174.653 174.900 0.073 0.000 0.698 171 G CA 0.079 45.216 45.100 0.061 0.000 1.094 171 G HN 0.594 nan 8.290 nan 0.000 0.316 172 L N 1.994 123.253 121.223 0.059 0.000 2.400 172 L HA 0.357 4.697 4.340 -0.000 0.000 0.261 172 L C 0.498 177.379 176.870 0.017 0.000 1.554 172 L CA -0.879 53.993 54.840 0.053 0.000 0.774 172 L CB 0.330 42.428 42.059 0.065 0.000 0.964 172 L HN 0.400 nan 8.230 nan 0.000 0.524 173 K N 3.183 123.591 120.400 0.013 0.000 2.161 173 K HA 0.264 4.584 4.320 -0.000 0.000 0.260 173 K C -0.534 176.057 176.600 -0.015 0.000 1.158 173 K CA 0.228 56.512 56.287 -0.005 0.000 1.172 173 K CB -0.458 32.043 32.500 0.002 0.000 0.917 173 K HN 0.393 nan 8.250 nan 0.000 0.410 174 L N 0.067 121.266 121.223 -0.040 0.000 2.388 174 L HA 0.413 4.753 4.340 -0.000 0.000 0.264 174 L C 0.079 176.908 176.870 -0.068 0.000 0.998 174 L CA -0.777 54.038 54.840 -0.043 0.000 0.817 174 L CB 1.400 43.435 42.059 -0.040 0.000 1.338 174 L HN 0.343 nan 8.230 nan 0.000 0.414 175 N N 0.058 118.734 118.700 -0.041 0.000 2.220 175 N HA 0.155 4.895 4.740 -0.000 0.000 0.195 175 N C -0.329 175.163 175.510 -0.031 0.000 1.123 175 N CA -0.006 53.004 53.050 -0.066 0.000 0.874 175 N CB 0.105 38.549 38.487 -0.072 0.000 0.995 175 N HN 0.698 nan 8.380 nan 0.000 0.498 176 Y N 0.006 120.236 120.300 -0.117 0.000 2.570 176 Y HA 0.665 5.215 4.550 -0.000 0.000 0.345 176 Y C -1.733 174.093 175.900 -0.122 0.000 1.014 176 Y CA -1.673 56.366 58.100 -0.102 0.000 1.063 176 Y CB 1.597 40.013 38.460 -0.073 0.000 1.272 176 Y HN -0.022 nan 8.280 nan 0.000 0.477 177 L N 5.031 126.161 121.223 -0.155 0.000 2.982 177 L HA 0.387 4.727 4.340 -0.000 0.000 0.262 177 L C -2.232 174.547 176.870 -0.152 0.000 0.932 177 L CA -0.418 54.401 54.840 -0.035 0.000 1.058 177 L CB 1.524 43.427 42.059 -0.261 0.000 1.665 177 L HN 0.776 nan 8.230 nan 0.000 0.499 178 R N 6.316 126.889 120.500 0.121 0.000 2.468 178 R HA 0.616 4.955 4.340 -0.000 0.000 0.302 178 R C -1.315 175.057 176.300 0.121 0.000 1.041 178 R CA -0.607 55.555 56.100 0.104 0.000 0.899 178 R CB 0.945 31.359 30.300 0.189 0.000 1.167 178 R HN 0.804 nan 8.270 nan 0.000 0.483 179 I N 4.533 125.157 120.570 0.090 0.000 2.517 179 I HA 0.089 4.259 4.170 -0.000 0.000 0.289 179 I C 0.645 176.837 176.117 0.126 0.000 1.149 179 I CA -0.391 60.985 61.300 0.126 0.000 1.189 179 I CB 0.535 38.634 38.000 0.165 0.000 1.641 179 I HN 0.555 nan 8.210 nan 0.000 0.560 180 S N 2.122 117.902 115.700 0.135 0.000 2.634 180 S HA 0.201 4.671 4.470 -0.000 0.000 0.261 180 S C 0.615 175.282 174.600 0.112 0.000 1.271 180 S CA -0.342 57.955 58.200 0.162 0.000 0.985 180 S CB 0.633 63.957 63.200 0.207 0.000 0.968 180 S HN 0.646 nan 8.310 nan 0.000 0.568 181 E N -1.077 119.214 120.200 0.153 0.000 2.328 181 E HA -0.242 4.108 4.350 -0.000 0.000 0.233 181 E C 0.320 176.943 176.600 0.038 0.000 1.219 181 E CA 0.445 56.900 56.400 0.093 0.000 0.717 181 E CB -2.471 27.244 29.700 0.025 0.000 1.210 181 E HN 0.795 nan 8.360 nan 0.000 0.381 182 A N 0.857 123.715 122.820 0.063 0.000 3.944 182 A HA 0.585 4.905 4.320 -0.000 0.000 0.151 182 A C 0.342 177.955 177.584 0.048 0.000 1.301 182 A CA -0.457 51.602 52.037 0.036 0.000 1.020 182 A CB 0.911 19.944 19.000 0.055 0.000 1.627 182 A HN 0.095 nan 8.150 nan 0.000 0.661 183 K N 0.485 120.912 120.400 0.045 0.000 2.826 183 K HA 0.320 4.640 4.320 -0.000 0.000 0.206 183 K C -1.009 175.628 176.600 0.063 0.000 1.116 183 K CA -0.231 56.082 56.287 0.043 0.000 1.045 183 K CB 0.522 33.032 32.500 0.017 0.000 0.758 183 K HN 0.326 nan 8.250 nan 0.000 0.465 184 L N 1.489 122.768 121.223 0.094 0.000 2.462 184 L HA 0.014 4.354 4.340 -0.000 0.000 0.272 184 L C 1.738 178.660 176.870 0.087 0.000 1.166 184 L CA 0.932 55.843 54.840 0.118 0.000 0.880 184 L CB 0.870 43.018 42.059 0.148 0.000 1.142 184 L HN 0.230 nan 8.230 nan 0.000 0.473 185 T N 1.102 115.704 114.554 0.081 0.000 3.037 185 T HA 0.244 4.594 4.350 -0.000 0.000 0.251 185 T C 0.595 175.329 174.700 0.055 0.000 1.079 185 T CA 0.520 62.657 62.100 0.061 0.000 1.067 185 T CB 0.268 69.167 68.868 0.052 0.000 0.948 185 T HN 0.768 nan 8.240 nan 0.000 0.496 186 G N 0.212 109.052 108.800 0.066 0.000 2.684 186 G HA2 0.577 4.537 3.960 -0.000 0.000 0.290 186 G HA3 0.577 4.537 3.960 -0.000 0.000 0.290 186 G C -1.351 173.584 174.900 0.059 0.000 1.425 186 G CA -0.998 44.133 45.100 0.052 0.000 0.822 186 G HN 0.342 nan 8.290 nan 0.000 0.482 187 I N 2.092 122.688 120.570 0.043 0.000 2.517 187 I HA 0.137 4.307 4.170 -0.000 0.000 0.285 187 I C -1.774 174.365 176.117 0.037 0.000 1.106 187 I CA -1.117 60.208 61.300 0.043 0.000 1.402 187 I CB 1.223 39.254 38.000 0.051 0.000 1.399 187 I HN 0.135 nan 8.210 nan 0.000 0.535 188 P HA 0.130 nan 4.420 nan 0.000 0.272 188 P C -0.241 177.071 177.300 0.020 0.000 1.223 188 P CA -0.200 62.882 63.100 -0.031 0.000 0.784 188 P CB 0.738 32.300 31.700 -0.230 0.000 0.923 189 K N 0.537 120.936 120.400 -0.002 0.000 2.365 189 K HA 0.038 4.358 4.320 -0.000 0.000 0.195 189 K C 0.156 176.761 176.600 0.008 0.000 1.079 189 K CA 0.441 56.710 56.287 -0.029 0.000 0.979 189 K CB 0.215 32.660 32.500 -0.091 0.000 0.929 189 K HN 0.543 nan 8.250 nan 0.000 0.523 190 D N 1.712 122.124 120.400 0.020 0.000 2.767 190 D HA 0.114 4.754 4.640 -0.000 0.000 0.241 190 D C -0.101 176.231 176.300 0.053 0.000 1.187 190 D CA -0.220 53.808 54.000 0.046 0.000 0.999 190 D CB 0.232 41.066 40.800 0.056 0.000 1.042 190 D HN -0.147 nan 8.370 nan 0.000 0.510 191 L N 0.546 121.790 121.223 0.036 0.000 2.491 191 L HA 0.559 4.899 4.340 -0.000 0.000 0.264 191 L C -2.217 174.595 176.870 -0.096 0.000 1.053 191 L CA -2.511 52.191 54.840 -0.230 0.000 0.858 191 L CB 0.374 42.133 42.059 -0.501 0.000 1.519 191 L HN -0.026 nan 8.230 nan 0.000 0.508 192 P HA 0.230 nan 4.420 nan 0.000 0.282 192 P C -0.222 177.039 177.300 -0.065 0.000 1.262 192 P CA -0.185 62.843 63.100 -0.120 0.000 0.773 192 P CB 0.527 32.116 31.700 -0.185 0.000 0.879 193 E N 1.030 121.239 120.200 0.016 0.000 2.150 193 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 193 E C 1.351 177.958 176.600 0.012 0.000 0.985 193 E CA 1.562 57.998 56.400 0.060 0.000 0.814 193 E CB -0.382 29.341 29.700 0.038 0.000 0.752 193 E HN 0.583 nan 8.360 nan 0.000 0.466 194 T N -0.224 114.313 114.554 -0.027 0.000 3.098 194 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 194 T C 0.791 175.437 174.700 -0.091 0.000 1.145 194 T CA -0.136 61.937 62.100 -0.046 0.000 1.092 194 T CB -0.149 68.694 68.868 -0.041 0.000 0.908 194 T HN -0.115 nan 8.240 nan 0.000 0.526 195 L N 2.796 123.941 121.223 -0.130 0.000 2.601 195 L HA 0.143 4.483 4.340 -0.000 0.000 0.277 195 L C 1.147 177.906 176.870 -0.184 0.000 1.219 195 L CA 0.154 54.872 54.840 -0.203 0.000 0.915 195 L CB -0.359 41.497 42.059 -0.338 0.000 1.160 195 L HN 0.209 nan 8.230 nan 0.000 0.494 196 N N 2.317 120.884 118.700 -0.222 0.000 2.436 196 N HA 0.085 4.825 4.740 -0.000 0.000 0.178 196 N C -0.378 174.978 175.510 -0.257 0.000 1.026 196 N CA 0.335 53.200 53.050 -0.308 0.000 0.880 196 N CB 0.765 39.014 38.487 -0.398 0.000 1.061 196 N HN 0.640 nan 8.380 nan 0.000 0.434 197 E N 0.691 120.743 120.200 -0.248 0.000 2.288 197 E HA 0.467 4.817 4.350 -0.000 0.000 0.268 197 E C -1.313 175.058 176.600 -0.381 0.000 0.885 197 E CA -0.684 55.554 56.400 -0.269 0.000 0.767 197 E CB 2.986 32.551 29.700 -0.225 0.000 1.220 197 E HN -0.041 nan 8.360 nan 0.000 0.427 198 L N 1.789 122.774 121.223 -0.397 0.000 2.562 198 L HA 0.351 4.691 4.340 -0.000 0.000 0.266 198 L C -1.722 174.923 176.870 -0.374 0.000 0.949 198 L CA -0.199 54.416 54.840 -0.375 0.000 0.879 198 L CB 1.512 43.314 42.059 -0.430 0.000 1.278 198 L HN 0.565 nan 8.230 nan 0.000 0.404 199 H N 6.391 125.285 119.070 -0.294 0.000 2.524 199 H HA 0.575 5.131 4.556 -0.000 0.000 0.353 199 H C -0.748 174.534 175.328 -0.077 0.000 1.136 199 H CA -0.826 55.133 56.048 -0.149 0.000 1.193 199 H CB 2.606 32.307 29.762 -0.102 0.000 1.558 199 H HN 0.501 nan 8.280 nan 0.000 0.515 200 L N 2.570 123.835 121.223 0.070 0.000 3.483 200 L HA 0.035 4.375 4.340 -0.000 0.000 0.327 200 L C 0.412 177.344 176.870 0.105 0.000 1.318 200 L CA -0.183 54.700 54.840 0.072 0.000 0.979 200 L CB -0.384 41.690 42.059 0.025 0.000 1.404 200 L HN 0.728 nan 8.230 nan 0.000 0.615 201 D N -0.601 119.889 120.400 0.151 0.000 2.390 201 D HA -0.069 4.571 4.640 -0.000 0.000 0.236 201 D C -0.207 176.210 176.300 0.194 0.000 1.189 201 D CA 0.094 54.180 54.000 0.142 0.000 0.887 201 D CB 0.333 41.263 40.800 0.216 0.000 1.198 201 D HN 0.288 nan 8.370 nan 0.000 0.444 202 H N -0.839 118.315 119.070 0.141 0.000 2.680 202 H HA -0.132 4.424 4.556 -0.000 0.000 0.328 202 H C -0.297 175.086 175.328 0.091 0.000 1.139 202 H CA 0.851 56.965 56.048 0.111 0.000 1.124 202 H CB -1.257 28.538 29.762 0.054 0.000 1.584 202 H HN 0.386 nan 8.280 nan 0.000 0.410 203 N N 0.119 118.903 118.700 0.140 0.000 3.455 203 N HA 0.375 5.115 4.740 -0.000 0.000 0.358 203 N C 0.280 175.843 175.510 0.088 0.000 1.580 203 N CA -0.764 52.354 53.050 0.113 0.000 0.692 203 N CB 1.009 39.555 38.487 0.099 0.000 1.978 203 N HN 0.221 nan 8.380 nan 0.000 0.651 204 K N 0.750 121.193 120.400 0.072 0.000 2.792 204 K HA 0.456 4.776 4.320 -0.000 0.000 0.207 204 K C -0.408 176.220 176.600 0.047 0.000 1.103 204 K CA -0.152 56.169 56.287 0.056 0.000 1.048 204 K CB 0.238 32.769 32.500 0.051 0.000 0.777 204 K HN 0.402 nan 8.250 nan 0.000 0.468 205 I N 2.094 122.692 120.570 0.048 0.000 2.741 205 I HA -0.148 4.022 4.170 -0.000 0.000 0.288 205 I C 1.476 177.609 176.117 0.027 0.000 1.192 205 I CA 0.167 61.491 61.300 0.040 0.000 1.426 205 I CB 0.673 38.696 38.000 0.038 0.000 1.367 205 I HN 0.217 nan 8.210 nan 0.000 0.563 206 Q N 5.091 124.906 119.800 0.025 0.000 2.123 206 Q HA 0.238 4.577 4.340 -0.000 0.000 0.196 206 Q C 0.245 176.251 176.000 0.010 0.000 0.958 206 Q CA 0.767 56.580 55.803 0.017 0.000 0.841 206 Q CB 0.350 29.098 28.738 0.018 0.000 0.915 206 Q HN 0.835 nan 8.270 nan 0.000 0.455 207 A N 0.162 122.989 122.820 0.012 0.000 2.580 207 A HA 0.413 4.733 4.320 -0.000 0.000 0.301 207 A C -1.392 176.199 177.584 0.012 0.000 1.054 207 A CA -0.732 51.310 52.037 0.008 0.000 0.751 207 A CB 0.417 19.421 19.000 0.005 0.000 1.275 207 A HN 0.223 nan 8.150 nan 0.000 0.403 208 I N 2.093 122.670 120.570 0.012 0.000 2.337 208 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 208 I C 0.190 176.319 176.117 0.019 0.000 1.046 208 I CA 0.035 61.345 61.300 0.018 0.000 1.324 208 I CB 0.489 38.503 38.000 0.023 0.000 1.409 208 I HN 0.813 nan 8.210 nan 0.000 0.494 209 E N 4.829 125.040 120.200 0.017 0.000 2.602 209 E HA 0.076 4.426 4.350 -0.000 0.000 0.255 209 E C 0.597 177.219 176.600 0.037 0.000 1.268 209 E CA -0.671 55.740 56.400 0.019 0.000 1.007 209 E CB 0.984 30.689 29.700 0.007 0.000 1.208 209 E HN 0.665 nan 8.360 nan 0.000 0.584 210 L N 1.058 122.307 121.223 0.045 0.000 1.956 210 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 210 L C 1.386 178.313 176.870 0.094 0.000 1.073 210 L CA 2.116 57.016 54.840 0.100 0.000 0.762 210 L CB -0.445 41.663 42.059 0.082 0.000 0.889 210 L HN 0.483 nan 8.230 nan 0.000 0.433 211 E N -0.669 119.504 120.200 -0.044 0.000 2.479 211 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 211 E C 1.494 177.942 176.600 -0.253 0.000 1.049 211 E CA 0.364 56.629 56.400 -0.226 0.000 0.870 211 E CB -0.254 29.319 29.700 -0.213 0.000 0.944 211 E HN 0.455 nan 8.360 nan 0.000 0.492 212 D N 0.958 121.279 120.400 -0.132 0.000 2.156 212 D HA -0.188 4.452 4.640 -0.000 0.000 0.190 212 D C 1.164 177.333 176.300 -0.218 0.000 0.998 212 D CA 1.180 55.108 54.000 -0.120 0.000 0.842 212 D CB -0.095 40.689 40.800 -0.027 0.000 0.974 212 D HN 0.215 nan 8.370 nan 0.000 0.447 213 L N 0.948 122.091 121.223 -0.133 0.000 2.660 213 L HA 0.058 4.398 4.340 -0.000 0.000 0.238 213 L C 1.769 178.413 176.870 -0.377 0.000 1.161 213 L CA -0.417 54.331 54.840 -0.154 0.000 0.937 213 L CB -0.204 41.909 42.059 0.089 0.000 1.122 213 L HN 0.063 nan 8.230 nan 0.000 0.435 214 L N 1.672 122.525 121.223 -0.617 0.000 1.941 214 L HA -0.251 4.089 4.340 -0.000 0.000 0.224 214 L C 2.717 179.232 176.870 -0.591 0.000 1.081 214 L CA 2.160 56.465 54.840 -0.891 0.000 0.784 214 L CB -0.415 41.150 42.059 -0.824 0.000 0.894 214 L HN 0.429 nan 8.230 nan 0.000 0.436 215 R N -1.639 118.502 120.500 -0.597 0.000 2.339 215 R HA -0.104 4.236 4.340 -0.000 0.000 0.199 215 R C 0.739 176.952 176.300 -0.145 0.000 1.018 215 R CA 0.870 56.758 56.100 -0.353 0.000 1.036 215 R CB -0.991 29.139 30.300 -0.284 0.000 0.899 215 R HN 0.591 nan 8.270 nan 0.000 0.473 216 Y N 1.808 122.055 120.300 -0.088 0.000 2.676 216 Y HA 0.101 4.651 4.550 0.000 0.000 0.331 216 Y C 1.076 176.960 175.900 -0.027 0.000 1.128 216 Y CA -0.633 57.424 58.100 -0.071 0.000 1.360 216 Y CB 0.423 38.831 38.460 -0.086 0.000 1.176 216 Y HN 0.238 nan 8.280 nan 0.000 0.518 217 S N -0.437 115.332 115.700 0.115 0.000 2.795 217 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 217 S C 0.652 175.308 174.600 0.093 0.000 0.973 217 S CA 0.375 58.636 58.200 0.100 0.000 0.982 217 S CB -0.448 62.797 63.200 0.075 0.000 0.786 217 S HN 0.505 nan 8.310 nan 0.000 0.538 218 K N 0.647 121.104 120.400 0.095 0.000 2.860 218 K HA 0.371 4.691 4.320 -0.000 0.000 0.204 218 K C -0.673 175.996 176.600 0.115 0.000 1.127 218 K CA -0.176 56.170 56.287 0.098 0.000 1.050 218 K CB 0.621 33.149 32.500 0.046 0.000 0.745 218 K HN 0.320 nan 8.250 nan 0.000 0.459 219 L N 0.583 121.884 121.223 0.129 0.000 2.399 219 L HA 0.309 4.649 4.340 -0.000 0.000 0.266 219 L C 0.793 177.886 176.870 0.372 0.000 1.114 219 L CA -0.379 54.534 54.840 0.122 0.000 0.804 219 L CB 0.487 42.568 42.059 0.037 0.000 1.146 219 L HN 0.229 nan 8.230 nan 0.000 0.451 220 Y N 0.460 120.718 120.300 -0.070 0.000 2.506 220 Y HA 0.199 4.749 4.550 -0.000 0.000 0.287 220 Y C 0.942 176.786 175.900 -0.093 0.000 1.147 220 Y CA -0.637 57.424 58.100 -0.065 0.000 1.241 220 Y CB 0.757 39.189 38.460 -0.047 0.000 1.279 220 Y HN 0.499 nan 8.280 nan 0.000 0.527 221 R N 0.549 121.078 120.500 0.048 0.000 2.828 221 R HA 0.583 4.923 4.340 -0.000 0.000 0.264 221 R C -1.850 174.315 176.300 -0.225 0.000 1.022 221 R CA -0.883 55.148 56.100 -0.114 0.000 1.021 221 R CB 2.179 32.389 30.300 -0.150 0.000 1.163 221 R HN -0.021 nan 8.270 nan 0.000 0.494 222 L N 0.220 121.272 121.223 -0.286 0.000 2.680 222 L HA 0.498 4.838 4.340 -0.000 0.000 0.260 222 L C -1.147 175.545 176.870 -0.297 0.000 0.975 222 L CA 0.043 54.707 54.840 -0.293 0.000 0.920 222 L CB 1.816 43.796 42.059 -0.132 0.000 1.234 222 L HN 0.720 nan 8.230 nan 0.000 0.429 223 G N 3.926 112.454 108.800 -0.452 0.000 2.348 223 G HA2 0.599 4.559 3.960 -0.000 0.000 0.312 223 G HA3 0.599 4.559 3.960 -0.000 0.000 0.312 223 G C -0.219 174.637 174.900 -0.073 0.000 1.126 223 G CA -0.384 44.586 45.100 -0.216 0.000 0.865 223 G HN 0.613 nan 8.290 nan 0.000 0.474 224 L N 2.437 123.667 121.223 0.011 0.000 3.510 224 L HA 0.258 4.598 4.340 -0.000 0.000 0.324 224 L C 1.518 178.404 176.870 0.027 0.000 1.307 224 L CA -0.575 54.274 54.840 0.015 0.000 1.011 224 L CB 0.523 42.582 42.059 0.001 0.000 1.422 224 L HN 0.693 nan 8.230 nan 0.000 0.617 225 G N -1.205 107.639 108.800 0.073 0.000 2.760 225 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.236 225 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.236 225 G C -0.118 174.782 174.900 -0.000 0.000 1.243 225 G CA 0.163 45.298 45.100 0.058 0.000 0.850 225 G HN 0.612 nan 8.290 nan 0.000 0.595 226 H N -0.320 118.638 119.070 -0.187 0.000 2.385 226 H HA -0.135 4.421 4.556 -0.000 0.000 0.319 226 H C 0.727 175.963 175.328 -0.153 0.000 0.985 226 H CA 1.320 57.223 56.048 -0.242 0.000 1.067 226 H CB -0.979 28.427 29.762 -0.592 0.000 1.610 226 H HN 0.502 nan 8.280 nan 0.000 0.361 227 N N 0.087 118.771 118.700 -0.027 0.000 3.513 227 N HA 0.288 5.028 4.740 -0.000 0.000 0.351 227 N C 0.049 175.554 175.510 -0.008 0.000 1.624 227 N CA -0.629 52.422 53.050 0.003 0.000 0.712 227 N CB 1.138 39.629 38.487 0.007 0.000 2.106 227 N HN 0.387 nan 8.380 nan 0.000 0.649 228 Q N 0.841 120.642 119.800 0.002 0.000 2.158 228 Q HA 0.420 4.760 4.340 -0.000 0.000 0.306 228 Q C -0.596 175.400 176.000 -0.007 0.000 0.878 228 Q CA -0.151 55.651 55.803 -0.003 0.000 1.136 228 Q CB 0.648 29.392 28.738 0.011 0.000 1.253 228 Q HN 0.462 nan 8.270 nan 0.000 0.441 229 I N 0.937 121.498 120.570 -0.014 0.000 2.587 229 I HA -0.051 4.119 4.170 -0.000 0.000 0.284 229 I C 1.376 177.481 176.117 -0.019 0.000 1.134 229 I CA 0.526 61.818 61.300 -0.013 0.000 1.410 229 I CB 0.559 38.550 38.000 -0.015 0.000 1.392 229 I HN 0.193 nan 8.210 nan 0.000 0.545 230 R N 6.014 126.506 120.500 -0.013 0.000 2.121 230 R HA 0.305 4.645 4.340 -0.000 0.000 0.206 230 R C 0.014 176.304 176.300 -0.016 0.000 1.094 230 R CA 0.572 56.663 56.100 -0.015 0.000 1.055 230 R CB 0.406 30.701 30.300 -0.009 0.000 0.964 230 R HN 0.702 nan 8.270 nan 0.000 0.473 231 M N 0.832 120.425 119.600 -0.012 0.000 2.098 231 M HA 0.349 4.829 4.480 -0.000 0.000 0.265 231 M C -1.024 175.271 176.300 -0.008 0.000 0.940 231 M CA -0.667 54.626 55.300 -0.013 0.000 1.007 231 M CB 2.154 34.747 32.600 -0.012 0.000 1.823 231 M HN -0.147 nan 8.290 nan 0.000 0.453 232 I N 2.890 123.454 120.570 -0.010 0.000 2.396 232 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 232 I C -0.319 175.795 176.117 -0.005 0.000 1.056 232 I CA 0.655 61.953 61.300 -0.003 0.000 1.365 232 I CB 1.010 39.009 38.000 -0.002 0.000 1.407 232 I HN 1.019 nan 8.210 nan 0.000 0.509 233 E N 7.027 127.229 120.200 0.004 0.000 2.331 233 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 233 E C -0.245 176.356 176.600 0.001 0.000 1.036 233 E CA -0.707 55.695 56.400 0.003 0.000 0.864 233 E CB 0.729 30.436 29.700 0.013 0.000 1.035 233 E HN 0.729 nan 8.360 nan 0.000 0.408 234 N N 3.094 121.786 118.700 -0.013 0.000 2.508 234 N HA 0.162 4.902 4.740 -0.000 0.000 0.264 234 N C 0.832 176.322 175.510 -0.033 0.000 1.216 234 N CA 0.444 53.477 53.050 -0.028 0.000 0.943 234 N CB 1.166 39.629 38.487 -0.040 0.000 1.113 234 N HN 0.780 nan 8.380 nan 0.000 0.447 235 G N 0.153 108.909 108.800 -0.074 0.000 2.284 235 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.230 235 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.230 235 G C 1.078 175.875 174.900 -0.173 0.000 1.021 235 G CA 1.087 46.096 45.100 -0.150 0.000 0.619 235 G HN 1.105 nan 8.290 nan 0.000 0.510 236 S N 0.582 116.296 115.700 0.023 0.000 2.368 236 S HA 0.109 4.579 4.470 -0.000 0.000 0.225 236 S C 2.176 176.862 174.600 0.145 0.000 1.030 236 S CA 1.476 59.792 58.200 0.194 0.000 0.999 236 S CB -0.378 62.903 63.200 0.135 0.000 0.844 236 S HN 0.609 nan 8.310 nan 0.000 0.459 237 L N 2.492 123.725 121.223 0.018 0.000 2.650 237 L HA 0.106 4.446 4.340 -0.000 0.000 0.235 237 L C 2.704 179.528 176.870 -0.076 0.000 1.149 237 L CA 0.679 55.523 54.840 0.007 0.000 0.887 237 L CB -0.615 41.446 42.059 0.003 0.000 1.021 237 L HN 0.596 nan 8.230 nan 0.000 0.441 238 S N -0.200 115.346 115.700 -0.256 0.000 2.414 238 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 238 S C 1.655 176.047 174.600 -0.346 0.000 1.022 238 S CA 0.516 58.492 58.200 -0.374 0.000 0.958 238 S CB -0.411 62.444 63.200 -0.576 0.000 0.797 238 S HN 0.406 nan 8.310 nan 0.000 0.493 239 F N 1.040 120.972 119.950 -0.029 0.000 2.699 239 F HA 0.286 4.813 4.527 -0.000 0.000 0.298 239 F C 0.255 176.045 175.800 -0.017 0.000 1.154 239 F CA -0.032 57.949 58.000 -0.032 0.000 1.457 239 F CB -0.100 38.868 39.000 -0.053 0.000 1.106 239 F HN 0.190 nan 8.300 nan 0.000 0.585 240 L N 0.996 122.289 121.223 0.116 0.000 2.783 240 L HA 0.278 4.618 4.340 -0.000 0.000 0.235 240 L C -1.529 175.357 176.870 0.028 0.000 1.260 240 L CA -2.098 52.792 54.840 0.083 0.000 1.184 240 L CB -0.711 41.392 42.059 0.074 0.000 1.472 240 L HN -0.205 nan 8.230 nan 0.000 0.426 241 P HA -0.199 nan 4.420 nan 0.000 0.218 241 P C 1.321 178.597 177.300 -0.039 0.000 1.154 241 P CA 1.667 64.755 63.100 -0.019 0.000 0.872 241 P CB 0.108 31.804 31.700 -0.007 0.000 0.790 242 T N -4.628 109.912 114.554 -0.023 0.000 3.122 242 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 242 T C 0.524 175.160 174.700 -0.106 0.000 1.067 242 T CA -0.471 61.578 62.100 -0.084 0.000 0.966 242 T CB -0.898 67.913 68.868 -0.095 0.000 1.002 242 T HN -0.158 nan 8.240 nan 0.000 0.542 243 L N 2.125 123.324 121.223 -0.039 0.000 2.578 243 L HA 0.210 4.550 4.340 -0.000 0.000 0.279 243 L C 1.236 178.053 176.870 -0.088 0.000 1.227 243 L CA 0.570 55.392 54.840 -0.030 0.000 0.900 243 L CB 0.384 42.440 42.059 -0.004 0.000 1.144 243 L HN 0.130 nan 8.230 nan 0.000 0.496 244 R N 2.118 122.562 120.500 -0.093 0.000 2.310 244 R HA 0.304 4.644 4.340 -0.000 0.000 0.199 244 R C -0.372 175.891 176.300 -0.063 0.000 0.891 244 R CA 0.022 56.053 56.100 -0.114 0.000 1.060 244 R CB 0.543 30.742 30.300 -0.168 0.000 1.188 244 R HN 0.644 nan 8.270 nan 0.000 0.607 245 E N 0.959 121.128 120.200 -0.051 0.000 2.275 245 E HA 0.274 4.624 4.350 -0.000 0.000 0.270 245 E C -1.762 174.804 176.600 -0.055 0.000 0.882 245 E CA -0.751 55.616 56.400 -0.056 0.000 0.758 245 E CB 2.754 32.390 29.700 -0.107 0.000 1.195 245 E HN -0.158 nan 8.360 nan 0.000 0.419 246 L N 3.143 124.368 121.223 0.003 0.000 2.471 246 L HA 0.284 4.624 4.340 -0.000 0.000 0.263 246 L C -1.291 175.651 176.870 0.120 0.000 0.985 246 L CA -0.214 54.642 54.840 0.027 0.000 0.868 246 L CB 0.839 42.927 42.059 0.050 0.000 1.203 246 L HN 0.552 nan 8.230 nan 0.000 0.429 247 H N 5.523 124.543 119.070 -0.083 0.000 2.690 247 H HA 0.365 4.921 4.556 -0.000 0.000 0.314 247 H C -0.345 174.987 175.328 0.007 0.000 1.069 247 H CA -0.467 55.586 56.048 0.008 0.000 1.436 247 H CB 1.904 31.692 29.762 0.044 0.000 1.462 247 H HN 0.516 nan 8.280 nan 0.000 0.511 248 L N 4.526 125.798 121.223 0.082 0.000 3.483 248 L HA 0.064 4.404 4.340 -0.000 0.000 0.327 248 L C 0.051 176.863 176.870 -0.097 0.000 1.318 248 L CA -0.219 54.623 54.840 0.004 0.000 0.979 248 L CB -0.001 42.067 42.059 0.015 0.000 1.404 248 L HN 0.674 nan 8.230 nan 0.000 0.615 249 D N -1.148 119.139 120.400 -0.188 0.000 2.354 249 D HA 0.053 4.693 4.640 -0.000 0.000 0.247 249 D C -0.356 175.734 176.300 -0.351 0.000 1.138 249 D CA -0.170 53.558 54.000 -0.454 0.000 0.958 249 D CB 0.667 40.890 40.800 -0.962 0.000 1.144 249 D HN 0.238 nan 8.370 nan 0.000 0.458 250 N N 0.730 119.193 118.700 -0.396 0.000 2.746 250 N HA -0.130 4.609 4.740 -0.000 0.000 0.250 250 N C -0.709 174.660 175.510 -0.235 0.000 1.055 250 N CA 0.297 53.132 53.050 -0.360 0.000 0.699 250 N CB -0.787 37.292 38.487 -0.679 0.000 0.919 250 N HN 0.528 nan 8.380 nan 0.000 0.548 251 N N 0.088 118.685 118.700 -0.171 0.000 3.369 251 N HA 0.339 5.079 4.740 -0.000 0.000 0.362 251 N C 0.005 175.466 175.510 -0.082 0.000 1.523 251 N CA -0.568 52.418 53.050 -0.107 0.000 0.684 251 N CB 0.752 39.189 38.487 -0.084 0.000 1.796 251 N HN -0.002 nan 8.380 nan 0.000 0.641 252 K N 1.172 121.538 120.400 -0.057 0.000 2.618 252 K HA 0.382 4.702 4.320 -0.000 0.000 0.207 252 K C -0.204 176.372 176.600 -0.041 0.000 1.058 252 K CA -0.177 56.085 56.287 -0.043 0.000 1.086 252 K CB 0.113 32.597 32.500 -0.027 0.000 0.827 252 K HN 0.395 nan 8.250 nan 0.000 0.481 253 L N 1.640 122.832 121.223 -0.052 0.000 2.485 253 L HA -0.040 4.300 4.340 -0.000 0.000 0.275 253 L C 1.522 178.365 176.870 -0.046 0.000 1.207 253 L CA 0.271 55.083 54.840 -0.048 0.000 0.855 253 L CB 0.553 42.579 42.059 -0.055 0.000 1.114 253 L HN 0.200 nan 8.230 nan 0.000 0.485 254 S N 1.618 117.294 115.700 -0.041 0.000 2.526 254 S HA 0.177 4.647 4.470 -0.000 0.000 0.220 254 S C 0.309 174.882 174.600 -0.046 0.000 1.017 254 S CA -0.610 57.567 58.200 -0.038 0.000 0.930 254 S CB 0.367 63.548 63.200 -0.031 0.000 0.856 254 S HN 0.774 nan 8.310 nan 0.000 0.497 255 R N -0.070 120.398 120.500 -0.054 0.000 2.643 255 R HA 0.619 4.959 4.340 -0.000 0.000 0.269 255 R C -1.606 174.644 176.300 -0.084 0.000 1.037 255 R CA -0.965 55.092 56.100 -0.071 0.000 0.894 255 R CB 0.966 31.223 30.300 -0.071 0.000 1.238 255 R HN -0.060 nan 8.270 nan 0.000 0.459 256 V N 3.321 123.162 119.914 -0.121 0.000 2.583 256 V HA 0.036 4.156 4.120 -0.000 0.000 0.302 256 V C -1.543 174.475 176.094 -0.126 0.000 1.033 256 V CA -0.431 61.780 62.300 -0.148 0.000 1.194 256 V CB -0.320 31.286 31.823 -0.362 0.000 0.879 256 V HN 0.737 nan 8.190 nan 0.000 0.482 257 P HA 0.107 nan 4.420 nan 0.000 0.260 257 P C -0.143 177.122 177.300 -0.058 0.000 1.185 257 P CA 0.071 63.145 63.100 -0.044 0.000 0.763 257 P CB 0.407 32.103 31.700 -0.007 0.000 0.776 258 A N 3.357 126.141 122.820 -0.059 0.000 2.548 258 A HA 0.406 4.726 4.320 -0.000 0.000 0.247 258 A C 1.504 179.057 177.584 -0.051 0.000 1.067 258 A CA 0.893 52.892 52.037 -0.064 0.000 0.757 258 A CB -1.114 17.851 19.000 -0.058 0.000 0.996 258 A HN 0.866 nan 8.150 nan 0.000 0.504 259 G N 1.249 110.018 108.800 -0.052 0.000 2.380 259 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.197 259 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.197 259 G C 1.003 175.899 174.900 -0.007 0.000 1.001 259 G CA 0.155 45.229 45.100 -0.042 0.000 0.668 259 G HN 0.639 nan 8.290 nan 0.000 0.483 260 L N 1.102 122.341 121.223 0.025 0.000 2.011 260 L HA -0.179 4.161 4.340 -0.000 0.000 0.225 260 L C 0.337 177.299 176.870 0.154 0.000 1.084 260 L CA 3.035 57.951 54.840 0.126 0.000 0.791 260 L CB -1.560 40.618 42.059 0.197 0.000 0.898 260 L HN 0.258 nan 8.230 nan 0.000 0.440 261 P HA -0.159 nan 4.420 nan 0.000 0.216 261 P C 0.766 178.082 177.300 0.027 0.000 1.150 261 P CA 1.485 64.650 63.100 0.108 0.000 0.843 261 P CB -0.096 31.643 31.700 0.065 0.000 0.787 262 D N -1.253 119.143 120.400 -0.006 0.000 2.378 262 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 262 D C 0.470 176.735 176.300 -0.058 0.000 1.012 262 D CA 0.487 54.461 54.000 -0.042 0.000 0.905 262 D CB -0.481 40.282 40.800 -0.060 0.000 0.895 262 D HN 0.223 nan 8.370 nan 0.000 0.532 263 L N 0.932 122.128 121.223 -0.045 0.000 2.328 263 L HA 0.192 4.532 4.340 -0.000 0.000 0.280 263 L C 1.088 177.893 176.870 -0.108 0.000 1.111 263 L CA -0.417 54.384 54.840 -0.065 0.000 0.909 263 L CB 0.766 42.803 42.059 -0.036 0.000 1.277 263 L HN -0.338 nan 8.230 nan 0.000 0.433 264 K N 1.920 122.250 120.400 -0.117 0.000 2.520 264 K HA -0.119 4.201 4.320 -0.000 0.000 0.197 264 K C 0.696 177.184 176.600 -0.186 0.000 1.044 264 K CA 1.103 57.300 56.287 -0.151 0.000 0.938 264 K CB -0.062 32.355 32.500 -0.138 0.000 0.767 264 K HN 0.383 nan 8.250 nan 0.000 0.481 265 L N -0.831 120.286 121.223 -0.177 0.000 3.298 265 L HA 0.223 4.562 4.340 -0.000 0.000 0.296 265 L C -0.672 176.078 176.870 -0.200 0.000 1.237 265 L CA -0.274 54.447 54.840 -0.199 0.000 1.038 265 L CB 0.197 42.142 42.059 -0.189 0.000 1.423 265 L HN 0.007 nan 8.230 nan 0.000 0.605 266 L N 0.659 121.762 121.223 -0.200 0.000 2.698 266 L HA -0.057 4.283 4.340 -0.000 0.000 0.272 266 L C 1.334 178.053 176.870 -0.252 0.000 1.154 266 L CA 1.154 55.898 54.840 -0.159 0.000 0.964 266 L CB 0.213 42.218 42.059 -0.089 0.000 1.272 266 L HN 0.374 nan 8.230 nan 0.000 0.483 267 Q N 2.990 122.715 119.800 -0.125 0.000 2.373 267 Q HA 0.204 4.544 4.340 -0.000 0.000 0.210 267 Q C -0.403 175.645 176.000 0.080 0.000 0.913 267 Q CA 0.415 56.171 55.803 -0.079 0.000 0.911 267 Q CB 0.937 29.641 28.738 -0.057 0.000 1.040 267 Q HN 0.517 nan 8.270 nan 0.000 0.521 268 V N 0.185 120.164 119.914 0.107 0.000 2.614 268 V HA 0.373 4.493 4.120 -0.000 0.000 0.281 268 V C -1.469 174.693 176.094 0.113 0.000 1.031 268 V CA -0.713 61.668 62.300 0.136 0.000 0.899 268 V CB 1.593 33.435 31.823 0.033 0.000 1.037 268 V HN -0.112 nan 8.190 nan 0.000 0.456 269 V N 8.255 128.288 119.914 0.198 0.000 2.481 269 V HA 0.588 4.708 4.120 -0.000 0.000 0.286 269 V C -0.858 175.382 176.094 0.242 0.000 1.042 269 V CA -0.228 62.175 62.300 0.172 0.000 0.928 269 V CB 1.681 33.629 31.823 0.209 0.000 0.986 269 V HN 0.827 nan 8.190 nan 0.000 0.462 270 Y N 6.349 126.656 120.300 0.012 0.000 2.335 270 Y HA 0.455 5.005 4.550 -0.000 0.000 0.338 270 Y C 0.653 176.455 175.900 -0.165 0.000 0.977 270 Y CA -0.920 57.132 58.100 -0.081 0.000 1.114 270 Y CB 1.895 40.233 38.460 -0.203 0.000 1.182 270 Y HN 0.481 nan 8.280 nan 0.000 0.463 271 L N 3.968 125.141 121.223 -0.083 0.000 3.184 271 L HA 0.092 4.432 4.340 -0.000 0.000 0.283 271 L C 0.550 177.217 176.870 -0.339 0.000 1.218 271 L CA -0.283 54.451 54.840 -0.177 0.000 1.028 271 L CB 0.088 42.119 42.059 -0.046 0.000 1.400 271 L HN 0.676 nan 8.230 nan 0.000 0.591 272 H N -1.535 117.266 119.070 -0.448 0.000 2.757 272 H HA 0.079 4.635 4.556 -0.000 0.000 0.370 272 H C 0.246 175.292 175.328 -0.469 0.000 1.172 272 H CA 0.507 56.114 56.048 -0.735 0.000 1.426 272 H CB 0.596 29.393 29.762 -1.608 0.000 1.438 272 H HN -0.000 nan 8.280 nan 0.000 0.612 273 T N 0.743 115.135 114.554 -0.271 0.000 4.331 273 T HA -0.196 4.154 4.350 -0.000 0.000 0.323 273 T C 0.557 175.164 174.700 -0.154 0.000 0.836 273 T CA 1.152 63.165 62.100 -0.145 0.000 1.985 273 T CB -1.270 67.556 68.868 -0.070 0.000 1.919 273 T HN 0.712 nan 8.240 nan 0.000 0.905 274 N N 0.720 119.323 118.700 -0.162 0.000 2.465 274 N HA 0.395 5.135 4.740 -0.000 0.000 0.294 274 N C 0.872 176.338 175.510 -0.074 0.000 1.333 274 N CA -0.298 52.679 53.050 -0.121 0.000 0.932 274 N CB 0.251 38.664 38.487 -0.124 0.000 1.092 274 N HN 0.332 nan 8.380 nan 0.000 0.519 275 N N -0.345 118.320 118.700 -0.060 0.000 2.475 275 N HA 0.300 5.040 4.740 -0.000 0.000 0.272 275 N C -1.279 174.209 175.510 -0.037 0.000 1.482 275 N CA -0.108 52.919 53.050 -0.039 0.000 0.863 275 N CB 0.025 38.492 38.487 -0.033 0.000 1.400 275 N HN 0.353 nan 8.380 nan 0.000 0.489 276 I N 0.602 121.146 120.570 -0.043 0.000 2.587 276 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 276 I C 1.479 177.580 176.117 -0.028 0.000 1.134 276 I CA 0.307 61.583 61.300 -0.040 0.000 1.410 276 I CB 1.278 39.250 38.000 -0.046 0.000 1.392 276 I HN 0.245 nan 8.210 nan 0.000 0.545 277 T N 5.536 120.073 114.554 -0.030 0.000 3.004 277 T HA 0.051 4.401 4.350 -0.000 0.000 0.243 277 T C 0.745 175.427 174.700 -0.029 0.000 1.020 277 T CA 0.496 62.581 62.100 -0.025 0.000 1.145 277 T CB 0.244 69.098 68.868 -0.022 0.000 0.876 277 T HN 0.529 nan 8.240 nan 0.000 0.449 278 K N 1.073 121.450 120.400 -0.039 0.000 2.207 278 K HA 0.579 4.899 4.320 -0.000 0.000 0.255 278 K C -1.678 174.882 176.600 -0.067 0.000 0.941 278 K CA -0.650 55.609 56.287 -0.046 0.000 0.825 278 K CB 2.066 34.539 32.500 -0.046 0.000 1.119 278 K HN 0.039 nan 8.250 nan 0.000 0.430 279 V N 3.560 123.431 119.914 -0.071 0.000 2.266 279 V HA 0.257 4.377 4.120 -0.000 0.000 0.266 279 V C 0.563 176.571 176.094 -0.143 0.000 1.036 279 V CA -0.910 61.322 62.300 -0.115 0.000 0.828 279 V CB 0.682 32.457 31.823 -0.080 0.000 1.081 279 V HN 0.994 nan 8.190 nan 0.000 0.449 280 G N 2.369 111.074 108.800 -0.158 0.000 2.497 280 G HA2 0.140 4.100 3.960 -0.000 0.000 0.228 280 G HA3 0.140 4.100 3.960 -0.000 0.000 0.228 280 G C 1.129 175.929 174.900 -0.166 0.000 1.190 280 G CA 0.225 45.237 45.100 -0.147 0.000 0.857 280 G HN 0.514 nan 8.290 nan 0.000 0.526 281 V N 1.683 121.527 119.914 -0.117 0.000 2.515 281 V HA -0.119 4.001 4.120 -0.000 0.000 0.250 281 V C 1.483 177.517 176.094 -0.099 0.000 1.058 281 V CA 1.736 63.974 62.300 -0.104 0.000 1.064 281 V CB -0.418 31.370 31.823 -0.059 0.000 0.675 281 V HN 0.644 nan 8.190 nan 0.000 0.461 282 N N 0.167 118.808 118.700 -0.098 0.000 2.453 282 N HA 0.120 4.860 4.740 -0.000 0.000 0.270 282 N C 0.317 175.744 175.510 -0.138 0.000 1.195 282 N CA 0.048 53.054 53.050 -0.073 0.000 0.902 282 N CB 0.480 38.941 38.487 -0.043 0.000 1.186 282 N HN 0.360 nan 8.380 nan 0.000 0.510 283 D N -0.918 119.316 120.400 -0.276 0.000 2.301 283 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 283 D C 0.762 176.690 176.300 -0.621 0.000 0.979 283 D CA 0.723 54.420 54.000 -0.504 0.000 0.874 283 D CB 0.248 40.602 40.800 -0.744 0.000 0.968 283 D HN 0.197 nan 8.370 nan 0.000 0.510 284 F N -0.101 119.814 119.950 -0.059 0.000 2.532 284 F HA 0.206 4.733 4.527 0.000 0.000 0.278 284 F C 1.220 177.137 175.800 0.194 0.000 0.975 284 F CA -0.335 57.653 58.000 -0.021 0.000 1.292 284 F CB -0.330 38.520 39.000 -0.250 0.000 1.112 284 F HN -0.172 nan 8.300 nan 0.000 0.703 285 c N 1.854 120.646 118.600 0.320 0.000 2.422 285 c HA 0.474 5.044 4.570 -0.000 0.000 0.364 285 c C -2.075 172.119 174.090 0.175 0.000 1.251 285 c CA -1.198 55.310 56.329 0.298 0.000 2.441 285 c CB 0.506 43.175 42.510 0.266 0.000 2.393 285 c HN 0.060 nan 8.230 nan 0.000 0.606 286 P HA 0.301 nan 4.420 nan 0.000 0.284 286 P C 0.483 177.832 177.300 0.082 0.000 1.258 286 P CA -0.341 62.809 63.100 0.084 0.000 0.824 286 P CB 0.491 32.223 31.700 0.052 0.000 1.038 287 V N 1.012 120.955 119.914 0.050 0.000 2.261 287 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 287 V C 1.437 177.573 176.094 0.070 0.000 1.047 287 V CA 2.208 64.536 62.300 0.047 0.000 1.015 287 V CB -1.471 30.366 31.823 0.023 0.000 0.642 287 V HN 0.768 nan 8.190 nan 0.000 0.446 288 G N -1.541 107.299 108.800 0.066 0.000 2.348 288 G HA2 0.450 4.410 3.960 -0.000 0.000 0.312 288 G HA3 0.450 4.410 3.960 -0.000 0.000 0.312 288 G C -0.738 174.244 174.900 0.136 0.000 1.126 288 G CA -0.544 44.613 45.100 0.094 0.000 0.865 288 G HN 0.204 nan 8.290 nan 0.000 0.474 289 F N 2.443 122.411 119.950 0.030 0.000 2.623 289 F HA 0.292 4.819 4.527 -0.000 0.000 0.383 289 F C 1.265 177.076 175.800 0.018 0.000 1.077 289 F CA 0.668 58.691 58.000 0.039 0.000 1.268 289 F CB 0.758 39.786 39.000 0.045 0.000 1.053 289 F HN 0.559 nan 8.300 nan 0.000 0.571 290 G N 2.936 111.373 108.800 -0.606 0.000 2.928 290 G HA2 0.351 4.311 3.960 -0.000 0.000 0.163 290 G HA3 0.351 4.311 3.960 -0.000 0.000 0.163 290 G C 0.175 174.507 174.900 -0.946 0.000 1.573 290 G CA 0.317 45.066 45.100 -0.586 0.000 1.084 290 G HN 1.031 nan 8.290 nan 0.000 0.569 291 V N -2.092 117.418 119.914 -0.674 0.000 3.580 291 V HA -0.045 4.075 4.120 -0.000 0.000 0.281 291 V C 1.808 177.716 176.094 -0.310 0.000 1.855 291 V CA 1.573 63.587 62.300 -0.476 0.000 1.091 291 V CB -1.045 30.624 31.823 -0.257 0.000 0.949 291 V HN 0.715 nan 8.190 nan 0.000 0.331 292 K N 1.862 122.095 120.400 -0.279 0.000 1.992 292 K HA 0.133 4.452 4.320 -0.000 0.000 0.210 292 K C 1.057 177.495 176.600 -0.269 0.000 1.036 292 K CA 1.007 57.161 56.287 -0.221 0.000 0.946 292 K CB -0.711 31.686 32.500 -0.171 0.000 0.742 292 K HN 0.406 nan 8.250 nan 0.000 0.442 293 R N 1.614 121.950 120.500 -0.273 0.000 2.839 293 R HA -0.114 4.226 4.340 -0.000 0.000 0.261 293 R C -0.661 175.409 176.300 -0.384 0.000 0.824 293 R CA 0.764 56.692 56.100 -0.288 0.000 1.091 293 R CB -0.551 29.592 30.300 -0.261 0.000 0.908 293 R HN 0.487 nan 8.270 nan 0.000 0.408 294 A N 5.011 127.617 122.820 -0.356 0.000 2.269 294 A HA 0.465 4.785 4.320 -0.000 0.000 0.319 294 A C -0.924 176.429 177.584 -0.386 0.000 1.110 294 A CA -0.594 51.196 52.037 -0.410 0.000 0.847 294 A CB 0.456 19.293 19.000 -0.271 0.000 1.161 294 A HN 0.736 nan 8.150 nan 0.000 0.497 295 Y N -0.448 119.803 120.300 -0.083 0.000 2.304 295 Y HA 0.293 4.843 4.550 -0.000 0.000 0.327 295 Y C -0.180 175.688 175.900 -0.054 0.000 1.209 295 Y CA 0.170 58.256 58.100 -0.022 0.000 1.299 295 Y CB 0.493 38.987 38.460 0.056 0.000 1.249 295 Y HN 0.579 nan 8.280 nan 0.000 0.519 296 Y N 1.068 121.485 120.300 0.195 0.000 2.480 296 Y HA -0.055 4.495 4.550 -0.000 0.000 0.338 296 Y C 1.214 177.161 175.900 0.078 0.000 1.220 296 Y CA 0.408 58.562 58.100 0.091 0.000 1.430 296 Y CB 0.372 38.860 38.460 0.045 0.000 1.311 296 Y HN 0.675 nan 8.280 nan 0.000 0.575 297 N N 0.282 119.108 118.700 0.210 0.000 2.197 297 N HA 0.234 4.974 4.740 -0.000 0.000 0.201 297 N C -0.389 175.191 175.510 0.117 0.000 1.148 297 N CA 0.119 53.249 53.050 0.133 0.000 0.883 297 N CB 0.497 39.038 38.487 0.089 0.000 1.012 297 N HN 0.830 nan 8.380 nan 0.000 0.507 298 G N 1.009 109.894 108.800 0.142 0.000 2.657 298 G HA2 0.431 4.391 3.960 -0.000 0.000 0.303 298 G HA3 0.431 4.391 3.960 -0.000 0.000 0.303 298 G C -1.771 173.182 174.900 0.087 0.000 1.457 298 G CA -0.505 44.666 45.100 0.118 0.000 0.982 298 G HN 0.055 nan 8.290 nan 0.000 0.583 299 I N 2.078 122.614 120.570 -0.057 0.000 2.478 299 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 299 I C 0.316 176.353 176.117 -0.134 0.000 1.042 299 I CA -0.849 60.340 61.300 -0.185 0.000 1.067 299 I CB 2.396 40.054 38.000 -0.570 0.000 1.233 299 I HN 0.592 nan 8.210 nan 0.000 0.431 300 S N 5.940 121.618 115.700 -0.035 0.000 2.541 300 S HA 0.637 5.107 4.470 -0.000 0.000 0.283 300 S C -0.173 174.320 174.600 -0.178 0.000 1.196 300 S CA -0.473 57.687 58.200 -0.067 0.000 1.062 300 S CB 2.596 65.737 63.200 -0.099 0.000 1.009 300 S HN 0.605 nan 8.310 nan 0.000 0.502 301 L N 1.145 122.251 121.223 -0.195 0.000 3.503 301 L HA 0.409 4.749 4.340 -0.000 0.000 0.327 301 L C 0.003 176.813 176.870 -0.101 0.000 1.108 301 L CA -0.128 54.541 54.840 -0.284 0.000 1.214 301 L CB -0.338 41.269 42.059 -0.754 0.000 1.806 301 L HN 0.825 nan 8.230 nan 0.000 0.610 302 F N 0.047 120.116 119.950 0.198 0.000 2.633 302 F HA 0.151 4.678 4.527 -0.000 0.000 0.338 302 F C 1.200 177.080 175.800 0.132 0.000 1.206 302 F CA -0.091 58.044 58.000 0.226 0.000 1.378 302 F CB -0.431 38.622 39.000 0.088 0.000 1.116 302 F HN 0.140 nan 8.300 nan 0.000 0.615 303 N N 1.240 120.113 118.700 0.288 0.000 2.738 303 N HA -0.265 4.475 4.740 -0.000 0.000 0.249 303 N C -1.498 174.028 175.510 0.027 0.000 1.047 303 N CA 0.824 53.959 53.050 0.143 0.000 0.707 303 N CB -1.308 37.277 38.487 0.163 0.000 0.937 303 N HN 0.778 nan 8.380 nan 0.000 0.545 304 N N -0.135 118.599 118.700 0.056 0.000 2.235 304 N HA 0.377 5.117 4.740 -0.000 0.000 0.293 304 N C -2.639 172.893 175.510 0.037 0.000 1.083 304 N CA -1.177 51.888 53.050 0.024 0.000 0.801 304 N CB 1.721 40.213 38.487 0.008 0.000 1.559 304 N HN -0.093 nan 8.380 nan 0.000 0.472 305 P HA 0.115 nan 4.420 nan 0.000 0.266 305 P C -1.148 176.146 177.300 -0.010 0.000 1.419 305 P CA 0.179 63.279 63.100 -0.000 0.000 1.112 305 P CB 0.212 31.910 31.700 -0.003 0.000 1.438 306 V N 5.471 125.370 119.914 -0.024 0.000 2.926 306 V HA 0.214 4.334 4.120 -0.000 0.000 0.251 306 V C -2.895 173.139 176.094 -0.100 0.000 1.724 306 V CA -1.187 61.082 62.300 -0.051 0.000 0.858 306 V CB 2.076 33.911 31.823 0.019 0.000 1.199 306 V HN 0.246 nan 8.190 nan 0.000 0.490 307 P HA 0.326 nan 4.420 nan 0.000 0.278 307 P C 0.599 177.488 177.300 -0.685 0.000 1.258 307 P CA -0.068 62.545 63.100 -0.812 0.000 0.811 307 P CB 0.656 31.220 31.700 -1.895 0.000 1.063 308 Y N 0.401 120.259 120.300 -0.736 0.000 2.165 308 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 308 Y C 2.119 177.962 175.900 -0.096 0.000 1.155 308 Y CA 1.030 58.869 58.100 -0.435 0.000 1.164 308 Y CB -2.108 36.147 38.460 -0.342 0.000 0.978 308 Y HN 0.471 nan 8.280 nan 0.000 0.513 309 W N 1.232 122.197 121.300 -0.558 0.000 2.961 309 W HA 0.169 4.829 4.660 -0.000 0.000 0.240 309 W C 1.204 177.631 176.519 -0.153 0.000 1.305 309 W CA 0.525 57.610 57.345 -0.433 0.000 1.465 309 W CB -0.495 28.586 29.460 -0.631 0.000 1.135 309 W HN 0.152 nan 8.180 nan 0.000 0.688 310 E N 0.635 120.658 120.200 -0.295 0.000 2.452 310 E HA 0.043 4.393 4.350 -0.000 0.000 0.197 310 E C 0.047 176.638 176.600 -0.015 0.000 1.022 310 E CA 0.084 56.408 56.400 -0.126 0.000 0.890 310 E CB 0.387 29.952 29.700 -0.225 0.000 0.918 310 E HN 0.051 nan 8.360 nan 0.000 0.496 311 V N 1.795 121.734 119.914 0.042 0.000 2.350 311 V HA 0.284 4.404 4.120 -0.000 0.000 0.285 311 V C -0.656 175.488 176.094 0.084 0.000 1.014 311 V CA -0.722 61.623 62.300 0.075 0.000 0.831 311 V CB 1.209 33.135 31.823 0.171 0.000 1.000 311 V HN 0.179 nan 8.190 nan 0.000 0.433 312 Q N 7.761 127.577 119.800 0.028 0.000 2.349 312 Q HA 0.147 4.487 4.340 -0.000 0.000 0.287 312 Q C -1.627 174.395 176.000 0.038 0.000 1.044 312 Q CA -0.495 55.328 55.803 0.034 0.000 0.918 312 Q CB 1.451 30.192 28.738 0.005 0.000 1.242 312 Q HN 0.601 nan 8.270 nan 0.000 0.405 313 P HA -0.184 nan 4.420 nan 0.000 0.215 313 P C 0.573 177.928 177.300 0.092 0.000 1.153 313 P CA 1.786 64.966 63.100 0.133 0.000 0.853 313 P CB -0.070 31.706 31.700 0.127 0.000 0.788 314 A N -0.763 122.087 122.820 0.049 0.000 2.054 314 A HA -0.278 4.042 4.320 -0.000 0.000 0.223 314 A C 2.216 179.802 177.584 0.005 0.000 1.169 314 A CA 2.476 54.533 52.037 0.034 0.000 0.655 314 A CB -2.054 16.957 19.000 0.019 0.000 0.812 314 A HN 0.199 nan 8.150 nan 0.000 0.462 315 T N -1.016 113.485 114.554 -0.088 0.000 2.803 315 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 315 T C 0.438 174.974 174.700 -0.272 0.000 1.052 315 T CA 1.351 63.304 62.100 -0.244 0.000 1.136 315 T CB -0.351 68.244 68.868 -0.454 0.000 0.864 315 T HN 0.461 nan 8.240 nan 0.000 0.467 316 F N 1.567 121.583 119.950 0.110 0.000 2.925 316 F HA 0.351 4.878 4.527 -0.000 0.000 0.302 316 F C 1.609 177.460 175.800 0.085 0.000 1.189 316 F CA -1.176 56.868 58.000 0.074 0.000 1.346 316 F CB -0.301 38.713 39.000 0.023 0.000 0.954 316 F HN 0.058 nan 8.300 nan 0.000 0.506 317 R N -0.241 120.384 120.500 0.209 0.000 2.091 317 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 317 R C 1.663 178.061 176.300 0.163 0.000 1.136 317 R CA 2.018 58.214 56.100 0.160 0.000 0.959 317 R CB -1.548 28.829 30.300 0.128 0.000 0.856 317 R HN 0.504 nan 8.270 nan 0.000 0.437 318 c N -0.094 118.660 118.600 0.257 0.000 2.697 318 c HA 0.465 5.035 4.570 -0.000 0.000 0.267 318 c C 1.310 175.599 174.090 0.333 0.000 1.278 318 c CA -1.219 55.305 56.329 0.326 0.000 1.708 318 c CB -0.849 41.951 42.510 0.483 0.000 1.860 318 c HN 0.304 nan 8.230 nan 0.000 0.589 319 V N 3.007 123.085 119.914 0.273 0.000 3.185 319 V HA 0.379 4.499 4.120 -0.000 0.000 0.305 319 V C 1.517 177.652 176.094 0.069 0.000 1.090 319 V CA 1.348 63.774 62.300 0.210 0.000 1.107 319 V CB 1.447 33.330 31.823 0.101 0.000 1.061 319 V HN 0.726 nan 8.190 nan 0.000 0.480 320 T N 1.794 116.382 114.554 0.056 0.000 3.266 320 T HA 0.113 4.463 4.350 -0.000 0.000 0.215 320 T C 0.843 175.535 174.700 -0.013 0.000 0.957 320 T CA 0.548 62.640 62.100 -0.012 0.000 1.730 320 T CB -0.508 68.375 68.868 0.025 0.000 1.427 320 T HN 0.716 nan 8.240 nan 0.000 0.445 321 D N 0.113 120.513 120.400 -0.001 0.000 2.312 321 D HA 0.179 4.819 4.640 -0.000 0.000 0.244 321 D C 1.367 177.655 176.300 -0.021 0.000 1.328 321 D CA -0.370 53.625 54.000 -0.009 0.000 0.965 321 D CB 0.618 41.416 40.800 -0.003 0.000 1.140 321 D HN 0.142 nan 8.370 nan 0.000 0.523 322 R N 0.221 120.707 120.500 -0.023 0.000 2.090 322 R HA 0.049 4.389 4.340 -0.000 0.000 0.219 322 R C 1.717 177.984 176.300 -0.054 0.000 1.100 322 R CA 0.408 56.486 56.100 -0.037 0.000 0.991 322 R CB -0.879 29.411 30.300 -0.017 0.000 0.893 322 R HN 0.363 nan 8.270 nan 0.000 0.443 323 L N 1.271 122.473 121.223 -0.036 0.000 2.651 323 L HA -0.006 4.334 4.340 -0.000 0.000 0.236 323 L C 1.634 178.485 176.870 -0.033 0.000 1.173 323 L CA 1.258 56.077 54.840 -0.035 0.000 0.843 323 L CB -1.711 40.335 42.059 -0.022 0.000 0.964 323 L HN 0.102 nan 8.230 nan 0.000 0.454 324 A N -0.850 121.945 122.820 -0.041 0.000 2.307 324 A HA 0.253 4.573 4.320 -0.000 0.000 0.218 324 A C 1.110 178.639 177.584 -0.092 0.000 1.228 324 A CA -0.035 51.984 52.037 -0.029 0.000 0.857 324 A CB -0.106 18.893 19.000 -0.002 0.000 0.897 324 A HN 0.282 nan 8.150 nan 0.000 0.495 325 I N 1.073 121.559 120.570 -0.140 0.000 2.621 325 I HA 0.121 4.291 4.170 -0.000 0.000 0.276 325 I C -0.456 175.610 176.117 -0.084 0.000 1.118 325 I CA -0.554 60.609 61.300 -0.228 0.000 1.159 325 I CB 0.976 38.700 38.000 -0.459 0.000 1.357 325 I HN 0.076 nan 8.210 nan 0.000 0.513 326 Q N 5.080 124.864 119.800 -0.027 0.000 2.256 326 Q HA 0.069 4.409 4.340 -0.000 0.000 0.281 326 Q C -0.130 176.040 176.000 0.283 0.000 1.162 326 Q CA 1.090 56.926 55.803 0.055 0.000 0.943 326 Q CB 0.353 29.110 28.738 0.032 0.000 1.195 326 Q HN 0.736 nan 8.270 nan 0.000 0.403 327 F N -0.252 119.699 119.950 0.002 0.000 3.250 327 F HA 0.120 4.647 4.527 -0.000 0.000 0.380 327 F C 0.618 176.414 175.800 -0.006 0.000 1.184 327 F CA 0.205 58.234 58.000 0.048 0.000 0.890 327 F CB 0.612 39.610 39.000 -0.002 0.000 1.634 327 F HN 0.710 nan 8.300 nan 0.000 0.499 328 G N 3.720 112.485 108.800 -0.058 0.000 2.542 328 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.176 328 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.176 328 G C -0.862 173.828 174.900 -0.350 0.000 0.335 328 G CA 1.023 46.001 45.100 -0.203 0.000 0.972 328 G HN 0.843 nan 8.290 nan 0.000 0.420 329 N N 0.000 118.534 118.700 -0.277 0.000 1.763 329 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 329 N CA 0.000 52.862 53.050 -0.312 0.000 0.885 329 N CB 0.000 38.390 38.487 -0.162 0.000 1.341 329 N HN 0.000 nan 8.380 nan 0.000 0.667