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 3dc8_1_B DATA FIRST_RESID 2 DATA SEQUENCE STVIKGGTIV TADLTYKADV KVEGGRIVEI GPNLSGAETL DATGCYVMPG DATA SEQUENCE GIDPHTHLEM PFMGTYSSDD FESGTRAALA GGTTMVVDFA LPSXGQSLLE DATA SEQUENCE ALTMWDNKST RANCDYSFHM AITWWGEQVF NEMETIVKDK GINTFXHFMA DATA SEQUENCE YKGALMVDDD EMFSSFQRCA ALGALPLVHA ENGDVVAQLQ AKLLAEGNSG DATA SEQUENCE PEAHAYSRPA EVEGEAANRA IMIADMAGCP VYIVHTSCEQ AHEAIRRARA DATA SEQUENCE KGMRVFGEPL IQHLTLDETE YFDKDWDHAA RRVMSPPFRN KLHQDSLWAG DATA SEQUENCE LASGSLQVVA TDHCAFTTEQ KRFGVGDFTR IPNGTGGLED RMPMLWTYGV DATA SEQUENCE ATGRITMNEF VAVTSTNIAK ILNIYPKKGA ILVGADADLV VWDPKRSKTI DATA SEQUENCE SAKTQQSAID YNVFEGKTVT GLPRFTLTRG VVSIEEGTVK TQEGHGEFVR DATA SEQUENCE RDPFPAVSTA LSTWKEVTAP RAVQRS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.574 174.600 -0.044 0.000 1.055 2 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 2 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 3 T N 1.224 115.745 114.554 -0.055 0.000 2.807 3 T HA 0.695 5.065 4.350 0.033 0.000 0.279 3 T C -1.041 173.613 174.700 -0.078 0.000 0.993 3 T CA -0.492 61.561 62.100 -0.078 0.000 0.970 3 T CB 1.402 70.210 68.868 -0.100 0.000 0.950 3 T HN 0.733 nan 8.240 nan 0.000 0.441 4 V N 4.697 124.560 119.914 -0.086 0.000 2.448 4 V HA 0.449 4.589 4.120 0.033 0.000 0.295 4 V C -0.094 175.938 176.094 -0.103 0.000 1.025 4 V CA -0.848 61.407 62.300 -0.075 0.000 0.859 4 V CB 1.562 33.355 31.823 -0.051 0.000 0.988 4 V HN 0.817 nan 8.190 nan 0.000 0.431 5 I N 5.091 125.602 120.570 -0.098 0.000 2.308 5 I HA 0.326 4.516 4.170 0.033 0.000 0.293 5 I C 0.258 176.340 176.117 -0.058 0.000 1.078 5 I CA 0.082 61.320 61.300 -0.104 0.000 1.292 5 I CB 0.492 38.441 38.000 -0.085 0.000 1.423 5 I HN 0.524 nan 8.210 nan 0.000 0.493 6 K N 4.798 125.168 120.400 -0.050 0.000 2.221 6 K HA 0.595 4.935 4.320 0.033 0.000 0.258 6 K C 0.686 177.274 176.600 -0.020 0.000 0.944 6 K CA -0.086 56.183 56.287 -0.031 0.000 0.823 6 K CB 1.514 33.997 32.500 -0.029 0.000 1.113 6 K HN 0.721 nan 8.250 nan 0.000 0.431 7 G N 2.037 110.824 108.800 -0.021 0.000 2.175 7 G HA2 -0.202 3.778 3.960 0.033 0.000 0.244 7 G HA3 -0.202 3.778 3.960 0.033 0.000 0.244 7 G C 0.290 175.167 174.900 -0.038 0.000 0.982 7 G CA -0.163 44.924 45.100 -0.022 0.000 0.641 7 G HN 0.930 nan 8.290 nan 0.000 0.527 8 G N -1.016 107.758 108.800 -0.043 0.000 2.535 8 G HA2 0.608 4.588 3.960 0.033 0.000 0.303 8 G HA3 0.608 4.588 3.960 0.033 0.000 0.303 8 G C -0.258 174.599 174.900 -0.072 0.000 1.237 8 G CA 0.387 45.446 45.100 -0.068 0.000 0.986 8 G HN 0.553 nan 8.290 nan 0.000 0.494 9 T N 1.004 115.511 114.554 -0.078 0.000 2.758 9 T HA 0.379 4.749 4.350 0.033 0.000 0.285 9 T C 0.422 175.126 174.700 0.007 0.000 0.981 9 T CA -0.056 62.034 62.100 -0.016 0.000 0.965 9 T CB 0.835 69.762 68.868 0.098 0.000 0.927 9 T HN 0.274 nan 8.240 nan 0.000 0.448 10 I N 3.396 123.853 120.570 -0.187 0.000 2.496 10 I HA 0.249 4.439 4.170 0.033 0.000 0.285 10 I C -0.218 175.843 176.117 -0.093 0.000 1.080 10 I CA -0.353 60.801 61.300 -0.243 0.000 1.404 10 I CB 0.788 38.383 38.000 -0.674 0.000 1.403 10 I HN 0.233 nan 8.210 nan 0.000 0.539 11 V N 5.362 125.303 119.914 0.044 0.000 2.443 11 V HA 0.408 4.548 4.120 0.033 0.000 0.293 11 V C 0.233 176.393 176.094 0.110 0.000 1.021 11 V CA -0.495 61.864 62.300 0.099 0.000 0.848 11 V CB 1.668 33.561 31.823 0.116 0.000 0.998 11 V HN 0.920 nan 8.190 nan 0.000 0.424 12 T N 1.706 116.339 114.554 0.131 0.000 2.841 12 T HA 0.713 5.082 4.350 0.033 0.000 0.276 12 T C 1.197 175.960 174.700 0.105 0.000 1.003 12 T CA 0.049 62.229 62.100 0.132 0.000 0.995 12 T CB 2.017 70.985 68.868 0.167 0.000 1.260 12 T HN 0.648 nan 8.240 nan 0.000 0.581 13 A N -0.317 122.550 122.820 0.080 0.000 2.067 13 A HA 0.061 4.401 4.320 0.033 0.000 0.219 13 A C 1.855 179.462 177.584 0.039 0.000 1.158 13 A CA 1.800 53.858 52.037 0.034 0.000 0.661 13 A CB -1.098 17.889 19.000 -0.023 0.000 0.801 13 A HN 0.900 nan 8.150 nan 0.000 0.452 14 D N -1.168 119.275 120.400 0.071 0.000 2.262 14 D HA 0.188 4.848 4.640 0.033 0.000 0.212 14 D C 0.683 177.033 176.300 0.083 0.000 0.964 14 D CA 1.265 55.305 54.000 0.068 0.000 0.875 14 D CB 0.156 41.008 40.800 0.087 0.000 0.996 14 D HN 0.519 nan 8.370 nan 0.000 0.497 15 L N -4.380 116.923 121.223 0.133 0.000 2.940 15 L HA 0.587 4.946 4.340 0.033 0.000 0.270 15 L C -1.473 175.541 176.870 0.240 0.000 1.030 15 L CA -0.930 54.007 54.840 0.161 0.000 0.928 15 L CB 2.046 44.183 42.059 0.130 0.000 1.506 15 L HN -0.384 nan 8.230 nan 0.000 0.405 16 T N 1.416 116.117 114.554 0.245 0.000 2.812 16 T HA 0.799 5.169 4.350 0.033 0.000 0.282 16 T C -1.599 173.306 174.700 0.341 0.000 0.990 16 T CA -0.359 61.883 62.100 0.237 0.000 0.960 16 T CB 1.087 70.041 68.868 0.143 0.000 0.948 16 T HN 0.712 nan 8.240 nan 0.000 0.438 17 Y N -0.166 120.188 120.300 0.089 0.000 2.558 17 Y HA 0.649 5.219 4.550 0.033 0.000 0.333 17 Y C -0.874 175.072 175.900 0.076 0.000 1.125 17 Y CA -1.668 56.475 58.100 0.072 0.000 1.039 17 Y CB 1.107 39.600 38.460 0.054 0.000 1.331 17 Y HN 0.456 nan 8.280 nan 0.000 0.456 18 K N 2.376 122.848 120.400 0.120 0.000 2.349 18 K HA 0.793 5.133 4.320 0.033 0.000 0.288 18 K C -0.902 175.730 176.600 0.053 0.000 1.058 18 K CA 0.253 56.559 56.287 0.031 0.000 0.953 18 K CB 0.240 32.773 32.500 0.054 0.000 0.997 18 K HN 1.073 nan 8.250 nan 0.000 0.477 19 A N 3.851 126.647 122.820 -0.041 0.000 2.597 19 A HA 0.328 4.668 4.320 0.033 0.000 0.292 19 A C -1.780 175.786 177.584 -0.029 0.000 1.057 19 A CA -1.054 50.994 52.037 0.018 0.000 0.674 19 A CB 0.957 20.028 19.000 0.120 0.000 1.278 19 A HN 0.703 nan 8.150 nan 0.000 0.416 20 D N 0.204 120.606 120.400 0.002 0.000 2.283 20 D HA 0.532 5.191 4.640 0.033 0.000 0.248 20 D C -0.452 175.844 176.300 -0.006 0.000 1.072 20 D CA 0.084 54.077 54.000 -0.011 0.000 0.929 20 D CB 1.737 42.534 40.800 -0.005 0.000 1.182 20 D HN 0.282 nan 8.370 nan 0.000 0.433 21 V N 1.388 121.290 119.914 -0.020 0.000 2.487 21 V HA 0.300 4.439 4.120 0.033 0.000 0.298 21 V C 0.031 176.110 176.094 -0.024 0.000 1.028 21 V CA -0.879 61.413 62.300 -0.014 0.000 0.860 21 V CB 1.930 33.741 31.823 -0.019 0.000 0.991 21 V HN 0.342 nan 8.190 nan 0.000 0.427 22 K N 3.539 123.929 120.400 -0.016 0.000 2.206 22 K HA 0.788 5.128 4.320 0.033 0.000 0.264 22 K C -1.572 175.013 176.600 -0.025 0.000 0.967 22 K CA -0.437 55.836 56.287 -0.024 0.000 0.844 22 K CB 1.935 34.425 32.500 -0.017 0.000 1.099 22 K HN 0.496 nan 8.250 nan 0.000 0.441 23 V N 3.854 123.747 119.914 -0.034 0.000 2.604 23 V HA 0.447 4.586 4.120 0.033 0.000 0.305 23 V C -0.986 175.090 176.094 -0.030 0.000 1.043 23 V CA -0.670 61.611 62.300 -0.032 0.000 0.888 23 V CB 1.779 33.578 31.823 -0.041 0.000 0.995 23 V HN 0.898 nan 8.190 nan 0.000 0.429 24 E N 2.051 122.238 120.200 -0.023 0.000 2.363 24 E HA 0.511 4.881 4.350 0.033 0.000 0.281 24 E C 0.357 176.948 176.600 -0.015 0.000 0.953 24 E CA -0.327 56.061 56.400 -0.020 0.000 0.778 24 E CB 1.997 31.686 29.700 -0.018 0.000 1.220 24 E HN 1.024 nan 8.360 nan 0.000 0.431 25 G N 1.363 110.156 108.800 -0.011 0.000 2.225 25 G HA2 -0.238 3.742 3.960 0.033 0.000 0.267 25 G HA3 -0.238 3.742 3.960 0.033 0.000 0.267 25 G C 0.906 175.803 174.900 -0.004 0.000 1.024 25 G CA 0.800 45.896 45.100 -0.007 0.000 0.784 25 G HN 1.376 nan 8.290 nan 0.000 0.507 26 G N -1.957 106.844 108.800 0.001 0.000 2.168 26 G HA2 -0.264 3.716 3.960 0.033 0.000 0.263 26 G HA3 -0.264 3.716 3.960 0.033 0.000 0.263 26 G C 0.347 175.244 174.900 -0.006 0.000 0.977 26 G CA 1.317 46.423 45.100 0.010 0.000 0.659 26 G HN 1.078 nan 8.290 nan 0.000 0.533 27 R N -1.112 119.379 120.500 -0.015 0.000 2.854 27 R HA 0.685 5.045 4.340 0.033 0.000 0.271 27 R C 0.074 176.361 176.300 -0.022 0.000 0.994 27 R CA -1.117 54.968 56.100 -0.024 0.000 0.945 27 R CB 1.344 31.627 30.300 -0.029 0.000 1.194 27 R HN 0.160 nan 8.270 nan 0.000 0.476 28 I N 2.486 123.042 120.570 -0.023 0.000 2.396 28 I HA 0.009 4.199 4.170 0.033 0.000 0.289 28 I C 1.377 177.485 176.117 -0.015 0.000 1.056 28 I CA -0.040 61.250 61.300 -0.017 0.000 1.365 28 I CB 1.234 39.227 38.000 -0.011 0.000 1.407 28 I HN 0.527 nan 8.210 nan 0.000 0.509 29 V N 1.500 121.407 119.914 -0.012 0.000 3.523 29 V HA 0.366 4.506 4.120 0.033 0.000 0.255 29 V C 0.434 176.526 176.094 -0.003 0.000 1.226 29 V CA 0.327 62.621 62.300 -0.010 0.000 1.092 29 V CB 0.037 31.852 31.823 -0.013 0.000 0.817 29 V HN 0.832 nan 8.190 nan 0.000 0.458 30 E N -0.312 119.889 120.200 0.002 0.000 2.375 30 E HA 0.671 5.041 4.350 0.033 0.000 0.280 30 E C -1.974 174.642 176.600 0.025 0.000 0.972 30 E CA -0.760 55.647 56.400 0.012 0.000 0.782 30 E CB 2.748 32.452 29.700 0.007 0.000 1.229 30 E HN 0.376 nan 8.360 nan 0.000 0.439 31 I N 2.679 123.277 120.570 0.046 0.000 2.548 31 I HA 0.720 4.909 4.170 0.033 0.000 0.287 31 I C -0.030 176.144 176.117 0.095 0.000 1.103 31 I CA -0.544 60.804 61.300 0.081 0.000 1.049 31 I CB 2.050 40.132 38.000 0.137 0.000 1.232 31 I HN 0.660 nan 8.210 nan 0.000 0.429 32 G N 6.114 114.969 108.800 0.091 0.000 2.349 32 G HA2 0.452 4.432 3.960 0.033 0.000 0.294 32 G HA3 0.452 4.432 3.960 0.033 0.000 0.294 32 G C -3.436 171.504 174.900 0.067 0.000 1.380 32 G CA -0.679 44.472 45.100 0.085 0.000 0.811 32 G HN 0.262 nan 8.290 nan 0.000 0.519 33 P HA 0.257 nan 4.420 nan 0.000 0.277 33 P C -0.089 177.226 177.300 0.025 0.000 1.240 33 P CA 0.037 63.162 63.100 0.042 0.000 0.798 33 P CB 0.587 32.313 31.700 0.042 0.000 0.979 34 N N -0.981 117.728 118.700 0.016 0.000 2.740 34 N HA -0.147 4.613 4.740 0.033 0.000 0.248 34 N C -0.429 175.084 175.510 0.005 0.000 1.062 34 N CA -0.022 53.033 53.050 0.008 0.000 0.704 34 N CB -1.526 36.966 38.487 0.009 0.000 0.968 34 N HN 0.405 nan 8.380 nan 0.000 0.547 35 L N 0.356 121.581 121.223 0.003 0.000 2.418 35 L HA 0.515 4.875 4.340 0.033 0.000 0.265 35 L C 0.783 177.648 176.870 -0.009 0.000 1.143 35 L CA -0.384 54.454 54.840 -0.002 0.000 0.809 35 L CB 1.223 43.281 42.059 -0.002 0.000 1.124 35 L HN 0.245 nan 8.230 nan 0.000 0.456 36 S N 0.272 115.965 115.700 -0.011 0.000 2.538 36 S HA 0.888 5.378 4.470 0.033 0.000 0.288 36 S C -0.506 174.083 174.600 -0.019 0.000 1.108 36 S CA -0.618 57.572 58.200 -0.016 0.000 0.971 36 S CB 2.131 65.324 63.200 -0.012 0.000 1.041 36 S HN 0.853 nan 8.310 nan 0.000 0.483 37 G N -0.010 108.775 108.800 -0.026 0.000 2.694 37 G HA2 0.687 4.667 3.960 0.033 0.000 0.290 37 G HA3 0.687 4.667 3.960 0.033 0.000 0.290 37 G C 0.571 175.453 174.900 -0.030 0.000 1.386 37 G CA -0.397 44.686 45.100 -0.029 0.000 0.872 37 G HN 1.090 nan 8.290 nan 0.000 0.475 38 A N -0.566 122.237 122.820 -0.029 0.000 1.902 38 A HA 0.120 4.459 4.320 0.033 0.000 0.217 38 A C 1.071 178.635 177.584 -0.034 0.000 1.181 38 A CA 1.811 53.832 52.037 -0.027 0.000 0.623 38 A CB -0.305 18.680 19.000 -0.025 0.000 0.818 38 A HN 0.636 nan 8.150 nan 0.000 0.443 39 E N -0.189 119.983 120.200 -0.046 0.000 2.166 39 E HA 0.466 4.836 4.350 0.033 0.000 0.275 39 E C -1.322 175.231 176.600 -0.078 0.000 0.941 39 E CA -0.411 55.953 56.400 -0.060 0.000 0.784 39 E CB 1.112 30.770 29.700 -0.069 0.000 1.115 39 E HN 0.174 nan 8.360 nan 0.000 0.399 40 T N 4.814 119.320 114.554 -0.080 0.000 2.824 40 T HA 0.387 4.757 4.350 0.033 0.000 0.282 40 T C -0.398 174.218 174.700 -0.140 0.000 0.993 40 T CA -0.607 61.437 62.100 -0.093 0.000 0.967 40 T CB 0.604 69.439 68.868 -0.054 0.000 0.960 40 T HN 0.381 nan 8.240 nan 0.000 0.441 41 L N 2.843 123.929 121.223 -0.230 0.000 2.287 41 L HA 0.415 4.774 4.340 0.033 0.000 0.287 41 L C 0.074 176.878 176.870 -0.109 0.000 1.022 41 L CA -1.008 53.590 54.840 -0.403 0.000 0.814 41 L CB 1.170 42.661 42.059 -0.946 0.000 1.217 41 L HN 0.573 nan 8.230 nan 0.000 0.420 42 D N 3.058 123.533 120.400 0.126 0.000 2.338 42 D HA 0.242 4.902 4.640 0.033 0.000 0.255 42 D C 0.435 176.849 176.300 0.191 0.000 1.237 42 D CA 0.041 54.121 54.000 0.135 0.000 0.883 42 D CB 1.610 42.484 40.800 0.124 0.000 1.087 42 D HN 0.601 nan 8.370 nan 0.000 0.485 43 A N 3.261 126.132 122.820 0.085 0.000 2.500 43 A HA 0.189 4.528 4.320 0.033 0.000 0.267 43 A C 0.791 178.364 177.584 -0.018 0.000 1.290 43 A CA -0.269 51.802 52.037 0.057 0.000 0.928 43 A CB -0.475 18.548 19.000 0.038 0.000 1.066 43 A HN 0.552 nan 8.150 nan 0.000 0.516 44 T N -2.550 111.993 114.554 -0.018 0.000 2.902 44 T HA 0.414 4.783 4.350 0.033 0.000 0.301 44 T C 1.284 175.936 174.700 -0.081 0.000 1.012 44 T CA 0.568 62.639 62.100 -0.048 0.000 1.151 44 T CB 0.940 69.789 68.868 -0.031 0.000 0.946 44 T HN 1.695 nan 8.240 nan 0.000 0.542 45 G N 1.459 110.188 108.800 -0.118 0.000 2.162 45 G HA2 -0.247 3.733 3.960 0.033 0.000 0.260 45 G HA3 -0.247 3.733 3.960 0.033 0.000 0.260 45 G C 0.298 175.042 174.900 -0.259 0.000 0.976 45 G CA 0.008 45.014 45.100 -0.157 0.000 0.655 45 G HN 1.042 nan 8.290 nan 0.000 0.533 46 C N -0.966 118.169 119.300 -0.276 0.000 2.630 46 C HA 0.821 5.300 4.460 0.033 0.000 0.346 46 C C -0.258 174.471 174.990 -0.436 0.000 1.245 46 C CA -1.219 57.623 59.018 -0.294 0.000 1.804 46 C CB 1.147 28.829 27.740 -0.096 0.000 2.279 46 C HN 0.307 nan 8.230 nan 0.000 0.498 47 Y N 0.305 120.642 120.300 0.061 0.000 2.341 47 Y HA 0.533 5.103 4.550 0.034 0.000 0.337 47 Y C 0.089 176.027 175.900 0.064 0.000 1.014 47 Y CA -0.632 57.504 58.100 0.060 0.000 1.111 47 Y CB 1.024 39.527 38.460 0.071 0.000 1.194 47 Y HN 0.299 nan 8.280 nan 0.000 0.462 48 V N 5.804 125.824 119.914 0.176 0.000 2.328 48 V HA 0.462 4.601 4.120 0.033 0.000 0.278 48 V C -0.118 176.042 176.094 0.109 0.000 1.021 48 V CA -0.511 61.857 62.300 0.114 0.000 0.838 48 V CB 0.557 32.403 31.823 0.037 0.000 0.999 48 V HN 0.799 nan 8.190 nan 0.000 0.447 49 M N 5.932 125.609 119.600 0.129 0.000 2.619 49 M HA 0.537 5.036 4.480 0.033 0.000 0.297 49 M C -2.813 173.547 176.300 0.101 0.000 1.229 49 M CA -1.996 53.377 55.300 0.121 0.000 0.860 49 M CB 3.009 35.699 32.600 0.149 0.000 1.741 49 M HN 0.258 nan 8.290 nan 0.000 0.462 50 P HA 0.057 nan 4.420 nan 0.000 0.265 50 P C -0.165 177.173 177.300 0.063 0.000 1.193 50 P CA 0.007 63.147 63.100 0.066 0.000 0.765 50 P CB 0.213 31.954 31.700 0.067 0.000 0.823 51 G N 2.986 111.821 108.800 0.059 0.000 2.391 51 G HA2 0.298 4.277 3.960 0.033 0.000 0.234 51 G HA3 0.298 4.277 3.960 0.033 0.000 0.234 51 G C 0.629 175.546 174.900 0.029 0.000 1.284 51 G CA -0.048 45.090 45.100 0.063 0.000 0.873 51 G HN 0.628 nan 8.290 nan 0.000 0.549 52 G N -0.077 108.739 108.800 0.027 0.000 2.484 52 G HA2 0.390 4.370 3.960 0.033 0.000 0.235 52 G HA3 0.390 4.370 3.960 0.033 0.000 0.235 52 G C -0.122 174.769 174.900 -0.015 0.000 1.282 52 G CA -0.424 44.663 45.100 -0.022 0.000 0.857 52 G HN 0.666 nan 8.290 nan 0.000 0.571 53 I N 1.302 121.850 120.570 -0.036 0.000 2.418 53 I HA 0.202 4.391 4.170 0.033 0.000 0.287 53 I C -0.955 175.152 176.117 -0.018 0.000 1.008 53 I CA -0.679 60.603 61.300 -0.031 0.000 1.104 53 I CB 2.151 40.123 38.000 -0.047 0.000 1.264 53 I HN 0.312 nan 8.210 nan 0.000 0.438 54 D N 9.130 129.532 120.400 0.003 0.000 2.441 54 D HA 0.281 4.941 4.640 0.033 0.000 0.231 54 D C -2.045 174.290 176.300 0.058 0.000 1.073 54 D CA -2.034 51.992 54.000 0.043 0.000 0.850 54 D CB 2.044 42.878 40.800 0.056 0.000 1.062 54 D HN 0.227 nan 8.370 nan 0.000 0.524 55 P HA 0.069 nan 4.420 nan 0.000 0.256 55 P C -0.459 176.952 177.300 0.186 0.000 1.384 55 P CA 0.036 63.176 63.100 0.066 0.000 0.879 55 P CB -0.302 31.420 31.700 0.037 0.000 1.403 56 H N 0.269 119.434 119.070 0.159 0.000 2.607 56 H HA 0.331 4.907 4.556 0.034 0.000 0.248 56 H C -0.562 174.896 175.328 0.218 0.000 1.355 56 H CA -0.240 55.993 56.048 0.310 0.000 1.524 56 H CB 0.579 30.554 29.762 0.355 0.000 1.563 56 H HN -0.065 nan 8.280 nan 0.000 0.509 57 T N 0.207 114.940 114.554 0.298 0.000 2.916 57 T HA 0.346 4.716 4.350 0.033 0.000 0.292 57 T C -0.586 174.115 174.700 0.002 0.000 1.055 57 T CA -0.910 61.288 62.100 0.163 0.000 1.009 57 T CB 2.078 70.968 68.868 0.037 0.000 1.118 57 T HN 0.539 nan 8.240 nan 0.000 0.497 58 H N 1.987 121.254 119.070 0.329 0.000 2.538 58 H HA 0.326 4.901 4.556 0.032 0.000 0.239 58 H C -0.836 174.595 175.328 0.172 0.000 1.401 58 H CA -0.379 55.856 56.048 0.311 0.000 1.499 58 H CB 0.448 30.367 29.762 0.262 0.000 1.624 58 H HN 0.462 nan 8.280 nan 0.000 0.524 59 L N 1.059 122.368 121.223 0.144 0.000 2.292 59 L HA 0.157 4.517 4.340 0.033 0.000 0.284 59 L C 1.123 178.053 176.870 0.100 0.000 1.065 59 L CA -0.156 54.663 54.840 -0.035 0.000 0.806 59 L CB 1.084 42.831 42.059 -0.520 0.000 1.175 59 L HN 0.567 nan 8.230 nan 0.000 0.431 60 E N 2.616 122.874 120.200 0.097 0.000 2.269 60 E HA -0.257 4.113 4.350 0.033 0.000 0.223 60 E C -0.272 176.448 176.600 0.199 0.000 1.244 60 E CA 0.191 56.687 56.400 0.159 0.000 0.713 60 E CB -0.140 29.630 29.700 0.116 0.000 1.178 60 E HN 0.536 nan 8.360 nan 0.000 0.370 61 M N 1.695 121.407 119.600 0.187 0.000 2.180 61 M HA 0.358 4.858 4.480 0.033 0.000 0.358 61 M C -2.332 173.926 176.300 -0.071 0.000 1.233 61 M CA -1.910 53.506 55.300 0.193 0.000 1.114 61 M CB 0.960 33.729 32.600 0.282 0.000 1.594 61 M HN -0.141 nan 8.290 nan 0.000 0.467 62 P HA 0.262 nan 4.420 nan 0.000 0.287 62 P C -1.585 175.679 177.300 -0.061 0.000 1.307 62 P CA 0.083 62.802 63.100 -0.636 0.000 0.777 62 P CB 0.075 31.412 31.700 -0.606 0.000 0.883 63 F N 4.909 124.722 119.950 -0.229 0.000 2.604 63 F HA 0.367 4.913 4.527 0.032 0.000 0.316 63 F C 0.158 175.844 175.800 -0.189 0.000 1.136 63 F CA -1.096 56.800 58.000 -0.174 0.000 0.989 63 F CB 1.482 40.420 39.000 -0.103 0.000 1.258 63 F HN 0.254 nan 8.300 nan 0.000 0.451 64 M N 5.341 124.520 119.600 -0.702 0.000 2.298 64 M HA -0.174 4.326 4.480 0.033 0.000 0.196 64 M C 0.974 177.005 176.300 -0.448 0.000 0.531 64 M CA 1.413 56.287 55.300 -0.711 0.000 0.459 64 M CB -1.710 30.283 32.600 -1.012 0.000 1.279 64 M HN 1.420 nan 8.290 nan 0.000 0.915 65 G N -1.600 107.017 108.800 -0.305 0.000 2.199 65 G HA2 -0.264 3.716 3.960 0.033 0.000 0.254 65 G HA3 -0.264 3.716 3.960 0.033 0.000 0.254 65 G C 0.090 174.866 174.900 -0.206 0.000 0.982 65 G CA 0.879 45.829 45.100 -0.251 0.000 0.632 65 G HN 0.753 nan 8.290 nan 0.000 0.529 66 T N -1.746 112.699 114.554 -0.183 0.000 2.654 66 T HA 0.685 5.055 4.350 0.033 0.000 0.289 66 T C -1.853 172.857 174.700 0.017 0.000 1.062 66 T CA -0.463 61.621 62.100 -0.026 0.000 1.041 66 T CB 1.305 70.124 68.868 -0.081 0.000 1.417 66 T HN 0.407 nan 8.240 nan 0.000 0.510 67 Y N 1.354 121.760 120.300 0.177 0.000 2.406 67 Y HA 0.460 5.030 4.550 0.033 0.000 0.340 67 Y C 0.744 176.748 175.900 0.173 0.000 0.975 67 Y CA -0.836 57.366 58.100 0.170 0.000 1.056 67 Y CB 1.969 40.470 38.460 0.069 0.000 1.210 67 Y HN 0.743 nan 8.280 nan 0.000 0.448 68 S N 0.532 116.307 115.700 0.125 0.000 2.563 68 S HA 0.000 4.490 4.470 0.033 0.000 0.284 68 S C 0.738 175.261 174.600 -0.129 0.000 1.331 68 S CA -0.233 57.745 58.200 -0.370 0.000 1.047 68 S CB 1.049 64.005 63.200 -0.407 0.000 0.859 68 S HN 0.696 nan 8.310 nan 0.000 0.514 69 S N 0.556 116.125 115.700 -0.217 0.000 2.548 69 S HA 0.140 4.629 4.470 0.033 0.000 0.215 69 S C -0.157 174.421 174.600 -0.037 0.000 0.976 69 S CA -0.124 58.041 58.200 -0.058 0.000 0.908 69 S CB -0.141 63.050 63.200 -0.015 0.000 0.781 69 S HN 0.709 nan 8.310 nan 0.000 0.519 70 D N 2.933 123.308 120.400 -0.041 0.000 2.233 70 D HA 0.298 4.958 4.640 0.033 0.000 0.240 70 D C -0.480 175.814 176.300 -0.010 0.000 1.074 70 D CA -0.301 53.703 54.000 0.006 0.000 0.838 70 D CB 1.422 42.281 40.800 0.097 0.000 1.124 70 D HN 0.277 nan 8.370 nan 0.000 0.475 71 D N 0.443 120.838 120.400 -0.008 0.000 2.564 71 D HA 0.117 4.776 4.640 0.033 0.000 0.273 71 D C 1.079 177.371 176.300 -0.013 0.000 1.192 71 D CA -0.602 53.410 54.000 0.021 0.000 1.080 71 D CB 0.125 40.954 40.800 0.049 0.000 1.160 71 D HN 0.097 nan 8.370 nan 0.000 0.607 72 F N -0.282 119.632 119.950 -0.060 0.000 2.161 72 F HA -0.117 4.431 4.527 0.034 0.000 0.300 72 F C 2.411 178.175 175.800 -0.060 0.000 1.089 72 F CA 1.422 59.377 58.000 -0.075 0.000 1.282 72 F CB -0.111 38.808 39.000 -0.135 0.000 1.010 72 F HN 0.403 nan 8.300 nan 0.000 0.485 73 E N 0.396 120.664 120.200 0.113 0.000 2.028 73 E HA -0.181 4.189 4.350 0.033 0.000 0.191 73 E C 2.359 178.967 176.600 0.013 0.000 0.988 73 E CA 1.766 58.202 56.400 0.059 0.000 0.799 73 E CB -0.311 29.416 29.700 0.045 0.000 0.755 73 E HN 0.405 nan 8.360 nan 0.000 0.447 74 S N -0.516 115.180 115.700 -0.008 0.000 2.387 74 S HA -0.015 4.474 4.470 0.033 0.000 0.226 74 S C 2.237 176.790 174.600 -0.078 0.000 1.026 74 S CA 1.127 59.311 58.200 -0.027 0.000 0.972 74 S CB -0.685 62.506 63.200 -0.015 0.000 0.814 74 S HN 0.302 nan 8.310 nan 0.000 0.477 75 G N 2.106 110.820 108.800 -0.144 0.000 2.421 75 G HA2 -0.179 3.800 3.960 0.033 0.000 0.216 75 G HA3 -0.179 3.800 3.960 0.033 0.000 0.216 75 G C 1.738 176.517 174.900 -0.202 0.000 1.171 75 G CA 1.645 46.575 45.100 -0.284 0.000 0.775 75 G HN 0.714 nan 8.290 nan 0.000 0.543 76 T N -1.139 113.346 114.554 -0.115 0.000 2.904 76 T HA 0.000 4.370 4.350 0.033 0.000 0.267 76 T C 2.228 176.923 174.700 -0.008 0.000 1.059 76 T CA 1.152 63.231 62.100 -0.035 0.000 1.137 76 T CB -0.107 68.791 68.868 0.049 0.000 0.879 76 T HN 0.341 nan 8.240 nan 0.000 0.467 77 R N 1.482 121.976 120.500 -0.010 0.000 2.073 77 R HA 0.080 4.440 4.340 0.033 0.000 0.234 77 R C 2.722 179.016 176.300 -0.010 0.000 1.134 77 R CA 1.403 57.503 56.100 0.000 0.000 0.952 77 R CB -0.842 29.459 30.300 0.002 0.000 0.850 77 R HN 0.436 nan 8.270 nan 0.000 0.433 78 A N 0.834 123.633 122.820 -0.034 0.000 1.883 78 A HA -0.147 4.193 4.320 0.033 0.000 0.217 78 A C 2.411 179.985 177.584 -0.017 0.000 1.186 78 A CA 1.846 53.867 52.037 -0.027 0.000 0.624 78 A CB -1.012 17.959 19.000 -0.049 0.000 0.822 78 A HN 0.576 nan 8.150 nan 0.000 0.444 79 A N -0.246 122.549 122.820 -0.042 0.000 1.865 79 A HA -0.124 4.216 4.320 0.033 0.000 0.217 79 A C 2.202 179.804 177.584 0.031 0.000 1.191 79 A CA 1.691 53.723 52.037 -0.009 0.000 0.623 79 A CB -0.726 18.259 19.000 -0.025 0.000 0.826 79 A HN 0.489 nan 8.150 nan 0.000 0.444 80 L N -0.843 120.397 121.223 0.029 0.000 2.046 80 L HA -0.195 4.165 4.340 0.033 0.000 0.208 80 L C 3.045 179.940 176.870 0.042 0.000 1.077 80 L CA 1.026 55.894 54.840 0.046 0.000 0.747 80 L CB -0.510 41.574 42.059 0.042 0.000 0.896 80 L HN 0.444 nan 8.230 nan 0.000 0.432 81 A N -0.044 122.790 122.820 0.023 0.000 2.019 81 A HA -0.101 4.239 4.320 0.033 0.000 0.219 81 A C 2.098 179.691 177.584 0.014 0.000 1.164 81 A CA 1.638 53.678 52.037 0.005 0.000 0.644 81 A CB -0.819 18.179 19.000 -0.003 0.000 0.805 81 A HN 0.461 nan 8.150 nan 0.000 0.449 82 G N -2.543 106.290 108.800 0.056 0.000 3.337 82 G HA2 0.406 4.386 3.960 0.033 0.000 0.246 82 G HA3 0.406 4.386 3.960 0.033 0.000 0.246 82 G C 1.023 176.057 174.900 0.223 0.000 1.131 82 G CA 0.436 45.604 45.100 0.113 0.000 0.773 82 G HN 1.544 nan 8.290 nan 0.000 0.544 83 G N -0.533 108.382 108.800 0.192 0.000 2.176 83 G HA2 -0.259 3.720 3.960 0.033 0.000 0.253 83 G HA3 -0.259 3.720 3.960 0.033 0.000 0.253 83 G C 0.354 175.358 174.900 0.174 0.000 0.979 83 G CA 0.343 45.603 45.100 0.268 0.000 0.641 83 G HN 0.569 nan 8.290 nan 0.000 0.530 84 T N 1.305 115.930 114.554 0.118 0.000 2.771 84 T HA 0.516 4.885 4.350 0.033 0.000 0.291 84 T C 1.370 176.105 174.700 0.058 0.000 0.954 84 T CA 0.652 62.794 62.100 0.070 0.000 1.045 84 T CB 1.351 70.248 68.868 0.049 0.000 0.917 84 T HN 0.645 nan 8.240 nan 0.000 0.484 85 T N 0.413 114.995 114.554 0.047 0.000 3.040 85 T HA 0.460 4.830 4.350 0.033 0.000 0.266 85 T C 0.175 174.895 174.700 0.034 0.000 1.005 85 T CA -0.382 61.748 62.100 0.050 0.000 0.906 85 T CB 0.101 69.000 68.868 0.052 0.000 1.082 85 T HN 0.521 nan 8.240 nan 0.000 0.531 86 M N 2.114 121.723 119.600 0.015 0.000 2.413 86 M HA 0.590 5.090 4.480 0.033 0.000 0.287 86 M C -2.040 174.259 176.300 -0.002 0.000 1.186 86 M CA -0.989 54.310 55.300 -0.001 0.000 0.927 86 M CB 2.523 35.091 32.600 -0.053 0.000 1.715 86 M HN 0.073 nan 8.290 nan 0.000 0.478 87 V N 1.614 121.540 119.914 0.021 0.000 2.769 87 V HA 0.909 5.049 4.120 0.033 0.000 0.312 87 V C -1.321 174.764 176.094 -0.013 0.000 1.061 87 V CA -0.666 61.637 62.300 0.005 0.000 0.931 87 V CB 1.811 33.623 31.823 -0.018 0.000 1.010 87 V HN 0.641 nan 8.190 nan 0.000 0.433 88 V N 3.195 123.062 119.914 -0.079 0.000 2.407 88 V HA 0.520 4.660 4.120 0.033 0.000 0.291 88 V C -0.370 175.615 176.094 -0.182 0.000 1.018 88 V CA -0.234 61.931 62.300 -0.225 0.000 0.842 88 V CB 1.135 32.638 31.823 -0.534 0.000 0.996 88 V HN 1.070 nan 8.190 nan 0.000 0.426 89 D N 2.692 123.118 120.400 0.043 0.000 2.268 89 D HA 0.455 5.114 4.640 0.033 0.000 0.249 89 D C -1.235 175.091 176.300 0.044 0.000 1.008 89 D CA -0.489 53.632 54.000 0.203 0.000 0.939 89 D CB 1.921 43.087 40.800 0.610 0.000 1.170 89 D HN 0.313 nan 8.370 nan 0.000 0.468 90 F N 1.133 121.185 119.950 0.170 0.000 2.390 90 F HA 0.360 4.907 4.527 0.033 0.000 0.361 90 F C 0.930 176.489 175.800 -0.402 0.000 1.124 90 F CA -0.725 57.295 58.000 0.033 0.000 1.149 90 F CB 1.266 40.347 39.000 0.136 0.000 1.160 90 F HN 0.226 nan 8.300 nan 0.000 0.501 91 A N 4.805 127.187 122.820 -0.729 0.000 2.491 91 A HA 0.408 4.748 4.320 0.033 0.000 0.261 91 A C -0.646 176.401 177.584 -0.895 0.000 1.101 91 A CA -0.180 50.876 52.037 -1.635 0.000 0.772 91 A CB -0.011 18.360 19.000 -1.047 0.000 1.043 91 A HN 0.711 nan 8.150 nan 0.000 0.501 92 L N 6.102 126.635 121.223 -1.151 0.000 2.384 92 L HA 0.426 4.786 4.340 0.033 0.000 0.261 92 L C -2.335 174.497 176.870 -0.063 0.000 1.024 92 L CA -1.579 53.083 54.840 -0.297 0.000 0.899 92 L CB 1.493 43.527 42.059 -0.041 0.000 1.243 92 L HN 0.406 nan 8.230 nan 0.000 0.449 93 P HA 0.284 nan 4.420 nan 0.000 0.272 93 P C -0.530 176.865 177.300 0.157 0.000 1.223 93 P CA -0.122 63.062 63.100 0.139 0.000 0.784 93 P CB 0.839 32.670 31.700 0.219 0.000 0.923 97 Q N 1.130 120.839 119.800 -0.152 0.000 2.373 97 Q HA 0.514 4.873 4.340 0.033 0.000 0.255 97 Q C 0.421 176.583 176.000 0.270 0.000 0.980 97 Q CA -0.056 55.790 55.803 0.072 0.000 0.882 97 Q CB 0.840 29.625 28.738 0.079 0.000 1.249 97 Q HN 0.152 nan 8.270 nan 0.000 0.438 98 S N 2.573 118.399 115.700 0.209 0.000 2.562 98 S HA 0.052 4.542 4.470 0.033 0.000 0.281 98 S C 1.370 176.080 174.600 0.183 0.000 1.333 98 S CA -0.410 57.918 58.200 0.215 0.000 1.052 98 S CB 0.248 63.529 63.200 0.135 0.000 0.884 98 S HN 0.684 nan 8.310 nan 0.000 0.506 99 L N 4.577 125.892 121.223 0.153 0.000 2.083 99 L HA -0.136 4.224 4.340 0.033 0.000 0.209 99 L C 2.184 179.104 176.870 0.083 0.000 1.083 99 L CA 1.203 56.108 54.840 0.110 0.000 0.752 99 L CB -0.629 41.491 42.059 0.102 0.000 0.899 99 L HN 0.687 nan 8.230 nan 0.000 0.433 100 L N -0.483 120.787 121.223 0.079 0.000 2.093 100 L HA -0.159 4.201 4.340 0.033 0.000 0.208 100 L C 2.508 179.415 176.870 0.061 0.000 1.085 100 L CA 1.117 55.993 54.840 0.060 0.000 0.755 100 L CB -0.454 41.636 42.059 0.051 0.000 0.904 100 L HN 0.262 nan 8.230 nan 0.000 0.435 101 E N 0.321 120.568 120.200 0.077 0.000 2.072 101 E HA -0.200 4.169 4.350 0.033 0.000 0.191 101 E C 2.356 179.019 176.600 0.105 0.000 0.985 101 E CA 1.122 57.571 56.400 0.082 0.000 0.801 101 E CB -0.170 29.582 29.700 0.087 0.000 0.750 101 E HN 0.483 nan 8.360 nan 0.000 0.452 102 A N 1.230 124.118 122.820 0.113 0.000 1.940 102 A HA -0.183 4.156 4.320 0.033 0.000 0.219 102 A C 2.165 179.819 177.584 0.117 0.000 1.176 102 A CA 1.149 53.269 52.037 0.137 0.000 0.631 102 A CB -0.517 18.513 19.000 0.050 0.000 0.814 102 A HN 0.245 nan 8.150 nan 0.000 0.446 103 L N -0.324 120.920 121.223 0.035 0.000 2.056 103 L HA -0.088 4.272 4.340 0.033 0.000 0.207 103 L C 2.368 179.260 176.870 0.038 0.000 1.078 103 L CA 2.846 57.681 54.840 -0.007 0.000 0.749 103 L CB -1.246 40.816 42.059 0.005 0.000 0.901 103 L HN 0.338 nan 8.230 nan 0.000 0.433 104 T N -0.161 114.423 114.554 0.050 0.000 2.720 104 T HA -0.246 4.124 4.350 0.033 0.000 0.268 104 T C 1.909 176.635 174.700 0.043 0.000 1.037 104 T CA 2.245 64.368 62.100 0.037 0.000 1.144 104 T CB -0.271 68.617 68.868 0.034 0.000 0.864 104 T HN 0.340 nan 8.240 nan 0.000 0.444 105 M N -0.651 119.006 119.600 0.096 0.000 2.117 105 M HA -0.079 4.420 4.480 0.033 0.000 0.262 105 M C 2.275 178.559 176.300 -0.026 0.000 1.065 105 M CA 1.647 56.992 55.300 0.075 0.000 1.114 105 M CB -0.244 32.467 32.600 0.186 0.000 1.361 105 M HN 0.369 nan 8.290 nan 0.000 0.408 106 W N 1.023 122.173 121.300 -0.250 0.000 2.409 106 W HA -0.170 4.509 4.660 0.032 0.000 0.299 106 W C 1.849 178.139 176.519 -0.383 0.000 1.203 106 W CA 0.966 58.022 57.345 -0.481 0.000 1.298 106 W CB -0.403 28.441 29.460 -1.028 0.000 1.127 106 W HN 0.290 nan 8.180 nan 0.000 0.528 107 D N 0.150 120.561 120.400 0.018 0.000 2.133 107 D HA -0.209 4.451 4.640 0.033 0.000 0.195 107 D C 1.526 177.791 176.300 -0.057 0.000 0.997 107 D CA 1.411 55.470 54.000 0.098 0.000 0.840 107 D CB -0.719 40.117 40.800 0.059 0.000 0.947 107 D HN 0.128 nan 8.370 nan 0.000 0.452 108 N N 0.709 119.351 118.700 -0.096 0.000 2.166 108 N HA -0.097 4.662 4.740 0.033 0.000 0.186 108 N C 1.598 176.984 175.510 -0.207 0.000 1.019 108 N CA 0.641 53.617 53.050 -0.123 0.000 0.856 108 N CB -0.115 38.315 38.487 -0.095 0.000 0.993 108 N HN 0.301 nan 8.380 nan 0.000 0.426 109 K N 0.391 120.591 120.400 -0.333 0.000 2.288 109 K HA 0.034 4.373 4.320 0.033 0.000 0.201 109 K C 1.322 177.583 176.600 -0.565 0.000 1.048 109 K CA 0.989 57.030 56.287 -0.410 0.000 0.956 109 K CB 0.059 32.202 32.500 -0.594 0.000 0.746 109 K HN 0.210 nan 8.250 nan 0.000 0.461 110 S N -0.440 114.823 115.700 -0.728 0.000 2.582 110 S HA 0.057 4.546 4.470 0.033 0.000 0.234 110 S C 1.322 175.644 174.600 -0.464 0.000 0.961 110 S CA -0.200 57.361 58.200 -1.066 0.000 0.953 110 S CB 0.239 62.546 63.200 -1.488 0.000 0.800 110 S HN 0.014 nan 8.310 nan 0.000 0.471 111 T N 2.764 117.177 114.554 -0.235 0.000 2.737 111 T HA -0.099 4.271 4.350 0.033 0.000 0.269 111 T C 1.568 176.245 174.700 -0.038 0.000 1.040 111 T CA 1.424 63.471 62.100 -0.089 0.000 1.142 111 T CB -0.182 68.646 68.868 -0.068 0.000 0.861 111 T HN 0.499 nan 8.240 nan 0.000 0.456 112 R N 0.227 120.708 120.500 -0.032 0.000 2.508 112 R HA 0.461 4.821 4.340 0.033 0.000 0.300 112 R C 0.431 176.769 176.300 0.063 0.000 0.970 112 R CA -0.288 55.824 56.100 0.021 0.000 1.102 112 R CB 0.546 30.859 30.300 0.021 0.000 1.246 112 R HN 0.229 nan 8.270 nan 0.000 0.539 113 A N 1.517 124.372 122.820 0.058 0.000 2.566 113 A HA -0.033 4.307 4.320 0.033 0.000 0.245 113 A C 0.577 178.259 177.584 0.163 0.000 1.056 113 A CA 0.111 52.229 52.037 0.136 0.000 0.757 113 A CB 0.138 19.201 19.000 0.104 0.000 0.979 113 A HN 0.302 nan 8.150 nan 0.000 0.508 114 N N 0.360 119.155 118.700 0.158 0.000 2.424 114 N HA 0.015 4.775 4.740 0.033 0.000 0.178 114 N C 0.391 176.044 175.510 0.239 0.000 1.060 114 N CA 1.226 54.378 53.050 0.170 0.000 0.901 114 N CB -0.261 38.288 38.487 0.103 0.000 0.979 114 N HN 0.878 nan 8.380 nan 0.000 0.451 115 C N -1.046 118.388 119.300 0.223 0.000 3.236 115 C HA 0.546 5.026 4.460 0.033 0.000 0.312 115 C C -0.503 174.611 174.990 0.206 0.000 1.374 115 C CA -1.296 57.849 59.018 0.212 0.000 1.455 115 C CB 1.333 29.159 27.740 0.144 0.000 1.834 115 C HN -0.012 nan 8.230 nan 0.000 0.460 116 D N 0.453 120.909 120.400 0.094 0.000 2.371 116 D HA 0.581 5.241 4.640 0.033 0.000 0.242 116 D C -0.585 175.750 176.300 0.058 0.000 1.218 116 D CA 0.709 54.706 54.000 -0.004 0.000 0.945 116 D CB 0.434 41.134 40.800 -0.167 0.000 1.137 116 D HN 0.880 nan 8.370 nan 0.000 0.464 117 Y N -3.009 117.208 120.300 -0.138 0.000 2.604 117 Y HA 0.575 5.144 4.550 0.033 0.000 0.331 117 Y C -0.931 174.740 175.900 -0.383 0.000 1.158 117 Y CA -0.975 57.052 58.100 -0.121 0.000 1.056 117 Y CB 0.931 39.474 38.460 0.140 0.000 1.330 117 Y HN 0.266 nan 8.280 nan 0.000 0.457 118 S N 1.014 116.517 115.700 -0.328 0.000 2.794 118 S HA 0.864 5.354 4.470 0.033 0.000 0.299 118 S C -2.151 172.226 174.600 -0.370 0.000 1.179 118 S CA -0.612 57.202 58.200 -0.643 0.000 0.838 118 S CB 1.079 63.834 63.200 -0.741 0.000 1.206 118 S HN 0.507 nan 8.310 nan 0.000 0.523 119 F N 1.488 121.458 119.950 0.033 0.000 2.563 119 F HA 0.553 5.099 4.527 0.032 0.000 0.316 119 F C 0.421 175.961 175.800 -0.434 0.000 1.076 119 F CA -0.857 57.065 58.000 -0.130 0.000 0.921 119 F CB 1.161 40.201 39.000 0.066 0.000 1.209 119 F HN 0.479 nan 8.300 nan 0.000 0.462 120 H N 1.671 120.621 119.070 -0.200 0.000 2.483 120 H HA 0.453 5.029 4.556 0.033 0.000 0.338 120 H C -0.671 174.535 175.328 -0.203 0.000 1.152 120 H CA -0.678 55.169 56.048 -0.337 0.000 1.264 120 H CB 2.029 31.423 29.762 -0.613 0.000 1.510 120 H HN 0.467 nan 8.280 nan 0.000 0.530 121 M N 1.774 121.311 119.600 -0.104 0.000 2.205 121 M HA 0.435 4.935 4.480 0.033 0.000 0.344 121 M C -0.725 175.643 176.300 0.114 0.000 1.085 121 M CA -0.664 54.617 55.300 -0.031 0.000 1.001 121 M CB 0.705 33.292 32.600 -0.022 0.000 1.626 121 M HN 0.611 nan 8.290 nan 0.000 0.442 122 A N 5.925 128.816 122.820 0.119 0.000 2.331 122 A HA 0.633 4.972 4.320 0.033 0.000 0.283 122 A C -0.547 177.130 177.584 0.155 0.000 1.142 122 A CA -0.576 51.563 52.037 0.170 0.000 0.812 122 A CB 0.063 19.242 19.000 0.300 0.000 1.074 122 A HN 0.776 nan 8.150 nan 0.000 0.497 123 I N 4.230 124.838 120.570 0.063 0.000 2.310 123 I HA 0.136 4.325 4.170 0.033 0.000 0.287 123 I C 1.303 177.533 176.117 0.187 0.000 1.073 123 I CA 0.277 61.610 61.300 0.055 0.000 1.216 123 I CB 0.160 38.109 38.000 -0.084 0.000 1.415 123 I HN 0.807 nan 8.210 nan 0.000 0.480 124 T N 2.309 117.031 114.554 0.279 0.000 3.069 124 T HA 0.136 4.505 4.350 0.033 0.000 0.252 124 T C 0.083 175.076 174.700 0.489 0.000 1.053 124 T CA -0.201 62.131 62.100 0.387 0.000 0.964 124 T CB 0.273 69.354 68.868 0.355 0.000 1.005 124 T HN 0.612 nan 8.240 nan 0.000 0.532 125 W N -1.363 120.066 121.300 0.214 0.000 2.937 125 W HA 0.574 5.253 4.660 0.032 0.000 0.360 125 W C -2.310 174.402 176.519 0.321 0.000 1.215 125 W CA -2.244 55.233 57.345 0.220 0.000 1.183 125 W CB 0.142 29.683 29.460 0.136 0.000 1.458 125 W HN 0.051 nan 8.180 nan 0.000 0.574 126 W N 1.441 122.796 121.300 0.091 0.000 3.022 126 W HA 0.516 5.196 4.660 0.033 0.000 0.335 126 W C -0.900 175.566 176.519 -0.088 0.000 1.133 126 W CA -0.229 57.019 57.345 -0.161 0.000 1.219 126 W CB 2.187 31.637 29.460 -0.017 0.000 1.409 126 W HN 0.970 nan 8.180 nan 0.000 0.507 127 G N 0.525 108.565 108.800 -1.267 0.000 2.322 127 G HA2 0.290 4.270 3.960 0.033 0.000 0.295 127 G HA3 0.290 4.270 3.960 0.033 0.000 0.295 127 G C 0.107 174.518 174.900 -0.815 0.000 1.369 127 G CA 0.240 44.913 45.100 -0.713 0.000 0.821 127 G HN 0.652 nan 8.290 nan 0.000 0.536 128 E N -0.569 119.393 120.200 -0.396 0.000 2.070 128 E HA -0.273 4.097 4.350 0.033 0.000 0.197 128 E C 2.252 178.729 176.600 -0.205 0.000 1.004 128 E CA 2.438 58.677 56.400 -0.267 0.000 0.805 128 E CB -0.783 28.836 29.700 -0.136 0.000 0.744 128 E HN 0.824 nan 8.360 nan 0.000 0.451 129 Q N -0.186 119.514 119.800 -0.166 0.000 2.077 129 Q HA -0.155 4.205 4.340 0.033 0.000 0.206 129 Q C 2.419 178.266 176.000 -0.255 0.000 0.989 129 Q CA 2.290 58.032 55.803 -0.103 0.000 0.853 129 Q CB -0.351 28.448 28.738 0.103 0.000 0.907 129 Q HN 0.485 nan 8.270 nan 0.000 0.418 130 V N 0.658 120.212 119.914 -0.600 0.000 2.295 130 V HA -0.252 3.888 4.120 0.033 0.000 0.246 130 V C 2.049 177.828 176.094 -0.524 0.000 1.049 130 V CA 2.048 63.942 62.300 -0.676 0.000 1.024 130 V CB -0.922 30.252 31.823 -1.081 0.000 0.648 130 V HN 0.474 nan 8.190 nan 0.000 0.447 131 F N 1.891 121.353 119.950 -0.814 0.000 2.091 131 F HA -0.240 4.306 4.527 0.033 0.000 0.299 131 F C 2.358 178.017 175.800 -0.235 0.000 1.103 131 F CA 2.226 59.933 58.000 -0.488 0.000 1.228 131 F CB -0.349 38.387 39.000 -0.440 0.000 0.984 131 F HN 0.176 nan 8.300 nan 0.000 0.477 132 N N 0.822 119.511 118.700 -0.017 0.000 2.058 132 N HA -0.183 4.576 4.740 0.033 0.000 0.191 132 N C 1.749 177.195 175.510 -0.106 0.000 1.037 132 N CA 1.955 54.987 53.050 -0.029 0.000 0.848 132 N CB -0.696 37.818 38.487 0.045 0.000 1.021 132 N HN 0.504 nan 8.380 nan 0.000 0.422 133 E N 0.421 120.561 120.200 -0.100 0.000 2.204 133 E HA -0.097 4.273 4.350 0.033 0.000 0.195 133 E C 1.939 178.514 176.600 -0.043 0.000 0.990 133 E CA 0.653 57.021 56.400 -0.053 0.000 0.821 133 E CB -0.158 29.529 29.700 -0.022 0.000 0.750 133 E HN 0.373 nan 8.360 nan 0.000 0.477 134 M N 0.599 120.107 119.600 -0.153 0.000 2.106 134 M HA -0.235 4.264 4.480 0.033 0.000 0.259 134 M C 2.388 178.686 176.300 -0.002 0.000 1.068 134 M CA 1.478 56.687 55.300 -0.151 0.000 1.100 134 M CB -0.220 32.046 32.600 -0.556 0.000 1.351 134 M HN 0.098 nan 8.290 nan 0.000 0.404 135 E N -0.211 119.923 120.200 -0.109 0.000 2.058 135 E HA -0.187 4.183 4.350 0.033 0.000 0.194 135 E C 1.686 178.302 176.600 0.026 0.000 0.997 135 E CA 1.877 58.248 56.400 -0.048 0.000 0.801 135 E CB 0.089 29.736 29.700 -0.089 0.000 0.746 135 E HN 0.455 nan 8.360 nan 0.000 0.450 136 T N 1.685 116.253 114.554 0.023 0.000 2.746 136 T HA -0.137 4.233 4.350 0.033 0.000 0.267 136 T C 1.871 176.612 174.700 0.068 0.000 1.039 136 T CA 1.115 63.239 62.100 0.041 0.000 1.142 136 T CB -0.084 68.803 68.868 0.032 0.000 0.866 136 T HN 0.163 nan 8.240 nan 0.000 0.444 137 I N 1.115 121.751 120.570 0.110 0.000 2.163 137 I HA -0.119 4.070 4.170 0.033 0.000 0.243 137 I C 2.543 178.720 176.117 0.101 0.000 1.085 137 I CA 1.168 62.544 61.300 0.127 0.000 1.347 137 I CB -1.360 36.782 38.000 0.237 0.000 1.044 137 I HN 0.138 nan 8.210 nan 0.000 0.408 138 V N 1.007 121.008 119.914 0.145 0.000 2.270 138 V HA -0.228 3.912 4.120 0.033 0.000 0.245 138 V C 2.382 178.513 176.094 0.062 0.000 1.043 138 V CA 1.740 64.093 62.300 0.088 0.000 1.014 138 V CB -0.597 31.298 31.823 0.119 0.000 0.645 138 V HN 0.394 nan 8.190 nan 0.000 0.447 139 K N -0.641 119.799 120.400 0.067 0.000 2.314 139 K HA -0.005 4.335 4.320 0.033 0.000 0.198 139 K C 1.191 177.821 176.600 0.051 0.000 1.045 139 K CA 1.012 57.337 56.287 0.062 0.000 0.988 139 K CB 0.079 32.616 32.500 0.062 0.000 0.783 139 K HN 0.407 nan 8.250 nan 0.000 0.484 140 D N -0.342 120.087 120.400 0.048 0.000 2.473 140 D HA 0.033 4.693 4.640 0.033 0.000 0.230 140 D C 1.166 177.489 176.300 0.039 0.000 1.097 140 D CA 0.471 54.494 54.000 0.039 0.000 0.861 140 D CB 0.606 41.425 40.800 0.032 0.000 1.114 140 D HN -0.096 nan 8.370 nan 0.000 0.500 141 K N -0.059 120.370 120.400 0.048 0.000 2.374 141 K HA 0.297 4.637 4.320 0.033 0.000 0.202 141 K C 0.999 177.673 176.600 0.122 0.000 1.040 141 K CA 0.331 56.645 56.287 0.045 0.000 1.085 141 K CB 1.430 33.944 32.500 0.024 0.000 0.873 141 K HN 0.097 nan 8.250 nan 0.000 0.539 142 G N 2.176 111.043 108.800 0.113 0.000 2.160 142 G HA2 -0.251 3.728 3.960 0.033 0.000 0.244 142 G HA3 -0.251 3.728 3.960 0.033 0.000 0.244 142 G C -0.062 174.895 174.900 0.094 0.000 1.022 142 G CA 0.031 45.207 45.100 0.126 0.000 0.741 142 G HN 0.279 nan 8.290 nan 0.000 0.508 143 I N 0.874 121.467 120.570 0.039 0.000 2.382 143 I HA 0.316 4.506 4.170 0.033 0.000 0.286 143 I C 0.388 176.375 176.117 -0.217 0.000 1.002 143 I CA -1.005 60.250 61.300 -0.074 0.000 1.135 143 I CB 1.594 39.564 38.000 -0.050 0.000 1.288 143 I HN 0.189 nan 8.210 nan 0.000 0.448 144 N N 3.020 121.576 118.700 -0.240 0.000 2.275 144 N HA 0.082 4.842 4.740 0.033 0.000 0.236 144 N C -0.327 175.005 175.510 -0.297 0.000 1.154 144 N CA -0.402 52.507 53.050 -0.235 0.000 0.866 144 N CB 0.429 38.827 38.487 -0.149 0.000 1.093 144 N HN 0.521 nan 8.380 nan 0.000 0.515 145 T N -2.827 111.455 114.554 -0.453 0.000 2.893 145 T HA 0.711 5.081 4.350 0.033 0.000 0.293 145 T C -0.717 173.603 174.700 -0.634 0.000 1.027 145 T CA -0.674 61.211 62.100 -0.358 0.000 0.988 145 T CB 1.288 70.078 68.868 -0.130 0.000 1.043 145 T HN -0.020 nan 8.240 nan 0.000 0.461 149 F N 2.060 122.180 119.950 0.283 0.000 2.444 149 F HA 0.361 4.907 4.527 0.032 0.000 0.342 149 F C 1.079 177.000 175.800 0.202 0.000 1.121 149 F CA -0.634 57.514 58.000 0.247 0.000 0.997 149 F CB 1.485 40.627 39.000 0.236 0.000 1.130 149 F HN 0.489 nan 8.300 nan 0.000 0.454 150 M N 2.044 121.848 119.600 0.341 0.000 2.502 150 M HA 0.297 4.797 4.480 0.033 0.000 0.243 150 M C 0.616 177.010 176.300 0.157 0.000 1.130 150 M CA 0.250 55.678 55.300 0.214 0.000 1.055 150 M CB 0.248 32.951 32.600 0.171 0.000 1.457 150 M HN 0.648 nan 8.290 nan 0.000 0.488 151 A N -1.518 121.370 122.820 0.114 0.000 2.578 151 A HA 0.643 4.983 4.320 0.033 0.000 0.255 151 A C -0.820 176.702 177.584 -0.102 0.000 1.251 151 A CA -0.532 51.448 52.037 -0.095 0.000 0.882 151 A CB 0.317 19.149 19.000 -0.279 0.000 1.416 151 A HN 0.413 nan 8.150 nan 0.000 0.462 152 Y N -1.366 118.956 120.300 0.037 0.000 3.380 152 Y HA -0.157 4.412 4.550 0.033 0.000 0.211 152 Y C 0.496 176.410 175.900 0.022 0.000 1.394 152 Y CA 0.783 58.887 58.100 0.006 0.000 1.479 152 Y CB -1.999 36.419 38.460 -0.071 0.000 1.483 152 Y HN 0.725 nan 8.280 nan 0.000 0.566 153 K N 1.084 121.554 120.400 0.117 0.000 2.530 153 K HA 0.250 4.589 4.320 0.033 0.000 0.280 153 K C 1.422 178.073 176.600 0.085 0.000 1.004 153 K CA 1.401 57.744 56.287 0.093 0.000 1.071 153 K CB -0.195 32.342 32.500 0.062 0.000 0.876 153 K HN 0.913 nan 8.250 nan 0.000 0.487 154 G N 2.178 111.027 108.800 0.081 0.000 2.199 154 G HA2 -0.333 3.647 3.960 0.033 0.000 0.254 154 G HA3 -0.333 3.647 3.960 0.033 0.000 0.254 154 G C 0.507 175.439 174.900 0.053 0.000 0.982 154 G CA 0.530 45.665 45.100 0.058 0.000 0.632 154 G HN 0.825 nan 8.290 nan 0.000 0.529 155 A N -1.058 121.806 122.820 0.073 0.000 1.989 155 A HA 0.762 5.102 4.320 0.033 0.000 0.201 155 A C 1.780 179.399 177.584 0.059 0.000 1.720 155 A CA 1.273 53.336 52.037 0.045 0.000 0.956 155 A CB 0.146 19.156 19.000 0.016 0.000 1.094 155 A HN 0.732 nan 8.150 nan 0.000 0.561 156 L N -0.836 120.435 121.223 0.081 0.000 3.039 156 L HA 0.386 4.746 4.340 0.033 0.000 0.269 156 L C 0.726 177.745 176.870 0.249 0.000 1.169 156 L CA -0.078 54.804 54.840 0.070 0.000 0.986 156 L CB 0.435 42.292 42.059 -0.336 0.000 1.377 156 L HN 0.415 nan 8.230 nan 0.000 0.575 157 M N 2.493 122.238 119.600 0.240 0.000 2.245 157 M HA 0.310 4.810 4.480 0.033 0.000 0.344 157 M C -0.317 176.130 176.300 0.246 0.000 1.170 157 M CA -0.108 55.348 55.300 0.261 0.000 1.135 157 M CB 0.958 33.667 32.600 0.182 0.000 1.574 157 M HN -0.042 nan 8.290 nan 0.000 0.452 158 V N 1.589 121.648 119.914 0.240 0.000 2.881 158 V HA 0.699 4.838 4.120 0.033 0.000 0.316 158 V C -0.731 175.427 176.094 0.107 0.000 1.070 158 V CA -0.993 61.419 62.300 0.187 0.000 0.976 158 V CB 1.645 33.587 31.823 0.198 0.000 1.038 158 V HN 0.924 nan 8.190 nan 0.000 0.446 159 D N 0.164 120.603 120.400 0.065 0.000 2.529 159 D HA 0.318 4.978 4.640 0.033 0.000 0.273 159 D C 0.427 176.695 176.300 -0.054 0.000 1.197 159 D CA -0.485 53.526 54.000 0.019 0.000 1.070 159 D CB 0.554 41.374 40.800 0.033 0.000 1.134 159 D HN 0.407 nan 8.370 nan 0.000 0.590 160 D N -0.889 119.472 120.400 -0.065 0.000 2.144 160 D HA -0.132 4.528 4.640 0.033 0.000 0.199 160 D C 1.238 177.468 176.300 -0.118 0.000 0.984 160 D CA 1.221 55.147 54.000 -0.124 0.000 0.834 160 D CB -0.264 40.472 40.800 -0.106 0.000 0.955 160 D HN 0.585 nan 8.370 nan 0.000 0.465 161 D N 0.532 120.894 120.400 -0.062 0.000 2.084 161 D HA -0.123 4.536 4.640 0.033 0.000 0.196 161 D C 1.796 178.005 176.300 -0.152 0.000 0.985 161 D CA 1.077 55.056 54.000 -0.035 0.000 0.826 161 D CB 0.134 40.936 40.800 0.003 0.000 0.978 161 D HN 0.167 nan 8.370 nan 0.000 0.456 162 E N -0.289 119.800 120.200 -0.186 0.000 2.058 162 E HA -0.217 4.152 4.350 0.033 0.000 0.194 162 E C 2.140 178.387 176.600 -0.588 0.000 0.997 162 E CA 0.979 57.126 56.400 -0.421 0.000 0.801 162 E CB -0.254 29.385 29.700 -0.103 0.000 0.746 162 E HN 0.403 nan 8.360 nan 0.000 0.450 163 M N 0.294 119.654 119.600 -0.401 0.000 2.117 163 M HA -0.186 4.313 4.480 0.033 0.000 0.262 163 M C 2.056 177.913 176.300 -0.739 0.000 1.065 163 M CA 1.393 56.316 55.300 -0.628 0.000 1.114 163 M CB -0.085 32.112 32.600 -0.672 0.000 1.361 163 M HN 0.085 nan 8.290 nan 0.000 0.408 164 F N 0.857 120.429 119.950 -0.631 0.000 2.134 164 F HA -0.143 4.404 4.527 0.033 0.000 0.299 164 F C 2.356 177.948 175.800 -0.346 0.000 1.097 164 F CA 1.723 59.462 58.000 -0.435 0.000 1.264 164 F CB -0.990 37.849 39.000 -0.268 0.000 1.001 164 F HN 0.185 nan 8.300 nan 0.000 0.479 165 S N -0.819 114.610 115.700 -0.453 0.000 2.370 165 S HA -0.225 4.265 4.470 0.033 0.000 0.226 165 S C 2.336 176.595 174.600 -0.568 0.000 1.033 165 S CA 1.466 59.339 58.200 -0.545 0.000 1.011 165 S CB -0.734 62.080 63.200 -0.644 0.000 0.852 165 S HN 0.489 nan 8.310 nan 0.000 0.457 166 S N 0.356 115.530 115.700 -0.877 0.000 2.368 166 S HA -0.035 4.454 4.470 0.033 0.000 0.224 166 S C 1.585 176.221 174.600 0.060 0.000 1.029 166 S CA 0.861 58.776 58.200 -0.474 0.000 0.988 166 S CB -0.412 62.657 63.200 -0.218 0.000 0.838 166 S HN 0.398 nan 8.310 nan 0.000 0.462 167 F N 2.078 121.912 119.950 -0.194 0.000 2.171 167 F HA 0.023 4.570 4.527 0.032 0.000 0.300 167 F C 2.567 178.339 175.800 -0.046 0.000 1.090 167 F CA 0.770 58.720 58.000 -0.083 0.000 1.293 167 F CB -1.234 37.750 39.000 -0.027 0.000 1.013 167 F HN 0.348 nan 8.300 nan 0.000 0.486 168 Q N -0.548 119.308 119.800 0.094 0.000 2.084 168 Q HA -0.227 4.133 4.340 0.033 0.000 0.202 168 Q C 2.313 178.338 176.000 0.041 0.000 0.978 168 Q CA 1.562 57.368 55.803 0.006 0.000 0.844 168 Q CB -0.238 28.401 28.738 -0.164 0.000 0.898 168 Q HN 0.104 nan 8.270 nan 0.000 0.426 169 R N 0.461 120.992 120.500 0.052 0.000 2.081 169 R HA -0.103 4.257 4.340 0.033 0.000 0.235 169 R C 2.050 178.323 176.300 -0.045 0.000 1.131 169 R CA 1.652 57.753 56.100 0.002 0.000 0.960 169 R CB -0.911 29.397 30.300 0.013 0.000 0.856 169 R HN 0.294 nan 8.270 nan 0.000 0.436 170 C N -0.242 119.055 119.300 -0.005 0.000 2.429 170 C HA 0.029 4.509 4.460 0.033 0.000 0.277 170 C C 2.757 177.735 174.990 -0.020 0.000 1.262 170 C CA 0.765 59.792 59.018 0.017 0.000 1.733 170 C CB -1.243 26.537 27.740 0.067 0.000 2.010 170 C HN 0.674 nan 8.230 nan 0.000 0.483 171 A N 0.592 123.418 122.820 0.011 0.000 1.877 171 A HA 0.008 4.348 4.320 0.033 0.000 0.216 171 A C 2.377 179.989 177.584 0.047 0.000 1.186 171 A CA 2.193 54.246 52.037 0.027 0.000 0.620 171 A CB -0.983 18.058 19.000 0.068 0.000 0.822 171 A HN 0.588 nan 8.150 nan 0.000 0.443 172 A N -0.604 122.251 122.820 0.058 0.000 1.972 172 A HA 0.023 4.363 4.320 0.033 0.000 0.219 172 A C 1.957 179.617 177.584 0.127 0.000 1.169 172 A CA 1.469 53.571 52.037 0.108 0.000 0.635 172 A CB -0.476 18.569 19.000 0.074 0.000 0.810 172 A HN 0.478 nan 8.150 nan 0.000 0.446 173 L N -1.293 119.914 121.223 -0.025 0.000 2.592 173 L HA 0.234 4.594 4.340 0.033 0.000 0.227 173 L C 1.521 178.043 176.870 -0.581 0.000 1.127 173 L CA 0.401 55.181 54.840 -0.100 0.000 0.884 173 L CB -0.174 41.857 42.059 -0.047 0.000 1.065 173 L HN 0.539 nan 8.230 nan 0.000 0.457 174 G N 0.795 109.056 108.800 -0.897 0.000 2.198 174 G HA2 -0.242 3.738 3.960 0.033 0.000 0.260 174 G HA3 -0.242 3.738 3.960 0.033 0.000 0.260 174 G C 0.234 174.766 174.900 -0.613 0.000 1.025 174 G CA 0.263 44.470 45.100 -1.488 0.000 0.769 174 G HN 0.512 nan 8.290 nan 0.000 0.507 175 A N -1.081 121.581 122.820 -0.264 0.000 2.288 175 A HA 0.926 5.266 4.320 0.033 0.000 0.328 175 A C -0.258 177.317 177.584 -0.016 0.000 1.123 175 A CA -0.501 51.498 52.037 -0.063 0.000 0.861 175 A CB 1.580 20.706 19.000 0.210 0.000 1.272 175 A HN 1.504 nan 8.150 nan 0.000 0.490 176 L N 1.907 123.132 121.223 0.003 0.000 2.325 176 L HA 0.584 4.944 4.340 0.033 0.000 0.281 176 L C -2.484 174.399 176.870 0.022 0.000 1.004 176 L CA -1.972 52.865 54.840 -0.004 0.000 0.823 176 L CB 1.868 43.922 42.059 -0.010 0.000 1.236 176 L HN 0.415 nan 8.230 nan 0.000 0.415 177 P HA 0.228 nan 4.420 nan 0.000 0.281 177 P C -1.142 176.156 177.300 -0.003 0.000 1.252 177 P CA -0.323 62.768 63.100 -0.015 0.000 0.778 177 P CB 1.379 32.654 31.700 -0.708 0.000 0.895 178 L N 4.183 125.468 121.223 0.104 0.000 2.334 178 L HA 0.508 4.867 4.340 0.033 0.000 0.275 178 L C 0.103 177.059 176.870 0.144 0.000 1.036 178 L CA -0.522 54.353 54.840 0.059 0.000 0.807 178 L CB 1.847 43.818 42.059 -0.146 0.000 1.231 178 L HN 0.174 nan 8.230 nan 0.000 0.438 179 V N 0.848 120.822 119.914 0.100 0.000 2.686 179 V HA 0.251 4.390 4.120 0.033 0.000 0.306 179 V C -0.865 175.242 176.094 0.020 0.000 1.065 179 V CA -0.828 61.536 62.300 0.106 0.000 0.894 179 V CB 1.662 33.586 31.823 0.168 0.000 1.004 179 V HN 0.766 nan 8.190 nan 0.000 0.424 180 H N 3.875 122.896 119.070 -0.083 0.000 2.911 180 H HA 0.632 5.209 4.556 0.034 0.000 0.273 180 H C 0.253 175.678 175.328 0.163 0.000 1.157 180 H CA 0.020 56.115 56.048 0.077 0.000 1.402 180 H CB 0.863 30.781 29.762 0.260 0.000 1.463 180 H HN 0.875 nan 8.280 nan 0.000 0.475 181 A N 5.713 128.583 122.820 0.085 0.000 2.582 181 A HA 0.318 4.658 4.320 0.033 0.000 0.336 181 A C -0.480 177.159 177.584 0.091 0.000 1.445 181 A CA -0.544 51.559 52.037 0.110 0.000 0.997 181 A CB 0.045 19.079 19.000 0.057 0.000 1.148 181 A HN 0.889 nan 8.150 nan 0.000 0.514 182 E N 1.288 121.600 120.200 0.187 0.000 2.356 182 E HA 0.159 4.528 4.350 0.033 0.000 0.275 182 E C -1.022 175.633 176.600 0.091 0.000 0.904 182 E CA -1.000 55.466 56.400 0.110 0.000 0.757 182 E CB 1.646 31.421 29.700 0.125 0.000 1.232 182 E HN 0.576 nan 8.360 nan 0.000 0.442 183 N N 1.645 120.373 118.700 0.048 0.000 2.400 183 N HA 0.011 4.771 4.740 0.033 0.000 0.267 183 N C 0.735 176.263 175.510 0.030 0.000 1.208 183 N CA 0.238 53.310 53.050 0.038 0.000 0.951 183 N CB 1.087 39.588 38.487 0.023 0.000 1.227 183 N HN 0.773 nan 8.380 nan 0.000 0.488 184 G N 3.008 111.829 108.800 0.035 0.000 2.422 184 G HA2 -0.219 3.761 3.960 0.033 0.000 0.218 184 G HA3 -0.219 3.761 3.960 0.033 0.000 0.218 184 G C 1.053 175.968 174.900 0.024 0.000 1.140 184 G CA 0.392 45.503 45.100 0.019 0.000 0.775 184 G HN 0.571 nan 8.290 nan 0.000 0.545 185 D N 0.310 120.727 120.400 0.029 0.000 2.117 185 D HA -0.075 4.584 4.640 0.033 0.000 0.198 185 D C 2.787 179.101 176.300 0.023 0.000 0.982 185 D CA 0.737 54.753 54.000 0.027 0.000 0.828 185 D CB -0.209 40.606 40.800 0.025 0.000 0.967 185 D HN 0.194 nan 8.370 nan 0.000 0.464 186 V N 1.115 121.042 119.914 0.020 0.000 2.295 186 V HA -0.199 3.941 4.120 0.033 0.000 0.246 186 V C 2.738 178.845 176.094 0.023 0.000 1.049 186 V CA 0.982 63.293 62.300 0.019 0.000 1.024 186 V CB -0.450 31.383 31.823 0.015 0.000 0.648 186 V HN 0.029 nan 8.190 nan 0.000 0.447 187 V N 0.395 120.320 119.914 0.018 0.000 2.287 187 V HA -0.304 3.836 4.120 0.033 0.000 0.248 187 V C 2.721 178.839 176.094 0.039 0.000 1.053 187 V CA 2.225 64.537 62.300 0.020 0.000 1.027 187 V CB -1.184 30.637 31.823 -0.003 0.000 0.646 187 V HN 0.572 nan 8.190 nan 0.000 0.447 188 A N -1.043 121.796 122.820 0.032 0.000 1.902 188 A HA -0.274 4.065 4.320 0.033 0.000 0.217 188 A C 2.187 179.793 177.584 0.038 0.000 1.181 188 A CA 1.903 53.961 52.037 0.034 0.000 0.623 188 A CB -0.468 18.549 19.000 0.029 0.000 0.818 188 A HN 0.635 nan 8.150 nan 0.000 0.443 189 Q N -0.552 119.270 119.800 0.036 0.000 2.079 189 Q HA -0.075 4.285 4.340 0.033 0.000 0.200 189 Q C 2.117 178.149 176.000 0.052 0.000 0.974 189 Q CA 1.337 57.162 55.803 0.037 0.000 0.840 189 Q CB -0.299 28.456 28.738 0.029 0.000 0.898 189 Q HN 0.684 nan 8.270 nan 0.000 0.430 190 L N 0.465 121.724 121.223 0.060 0.000 2.093 190 L HA -0.221 4.139 4.340 0.033 0.000 0.208 190 L C 2.467 179.423 176.870 0.143 0.000 1.085 190 L CA 1.143 56.031 54.840 0.081 0.000 0.755 190 L CB -0.375 41.722 42.059 0.063 0.000 0.904 190 L HN 0.274 nan 8.230 nan 0.000 0.435 191 Q N -0.133 119.764 119.800 0.163 0.000 2.061 191 Q HA -0.230 4.129 4.340 0.033 0.000 0.204 191 Q C 2.454 178.543 176.000 0.150 0.000 0.984 191 Q CA 1.852 57.807 55.803 0.253 0.000 0.846 191 Q CB -0.332 28.480 28.738 0.123 0.000 0.902 191 Q HN 0.568 nan 8.270 nan 0.000 0.421 192 A N 1.218 124.080 122.820 0.069 0.000 1.933 192 A HA -0.226 4.114 4.320 0.033 0.000 0.218 192 A C 1.994 179.617 177.584 0.064 0.000 1.175 192 A CA 1.608 53.667 52.037 0.038 0.000 0.628 192 A CB -0.409 18.604 19.000 0.021 0.000 0.814 192 A HN 0.220 nan 8.150 nan 0.000 0.444 193 K N -0.403 120.045 120.400 0.080 0.000 2.025 193 K HA -0.038 4.302 4.320 0.033 0.000 0.207 193 K C 1.894 178.556 176.600 0.103 0.000 1.049 193 K CA 1.240 57.571 56.287 0.074 0.000 0.933 193 K CB -0.287 32.250 32.500 0.062 0.000 0.714 193 K HN 0.457 nan 8.250 nan 0.000 0.438 194 L N 1.011 122.331 121.223 0.162 0.000 2.017 194 L HA -0.206 4.154 4.340 0.033 0.000 0.208 194 L C 2.388 179.397 176.870 0.232 0.000 1.073 194 L CA 1.107 56.077 54.840 0.216 0.000 0.745 194 L CB -0.360 41.881 42.059 0.303 0.000 0.894 194 L HN 0.216 nan 8.230 nan 0.000 0.432 195 L N -0.617 120.736 121.223 0.218 0.000 2.046 195 L HA -0.209 4.150 4.340 0.033 0.000 0.208 195 L C 2.847 179.764 176.870 0.078 0.000 1.077 195 L CA 1.136 56.049 54.840 0.122 0.000 0.747 195 L CB -0.775 41.282 42.059 -0.003 0.000 0.896 195 L HN 0.259 nan 8.230 nan 0.000 0.432 196 A N -0.129 122.729 122.820 0.064 0.000 1.933 196 A HA -0.216 4.124 4.320 0.033 0.000 0.218 196 A C 2.087 179.700 177.584 0.048 0.000 1.175 196 A CA 1.602 53.666 52.037 0.043 0.000 0.628 196 A CB -0.396 18.625 19.000 0.035 0.000 0.814 196 A HN 0.462 nan 8.150 nan 0.000 0.444 197 E N -1.661 118.577 120.200 0.064 0.000 2.482 197 E HA 0.215 4.585 4.350 0.033 0.000 0.196 197 E C 1.179 177.819 176.600 0.067 0.000 1.047 197 E CA 0.313 56.748 56.400 0.059 0.000 0.869 197 E CB -0.142 29.596 29.700 0.064 0.000 0.836 197 E HN 0.757 nan 8.360 nan 0.000 0.520 198 G N 2.071 110.920 108.800 0.081 0.000 2.143 198 G HA2 -0.278 3.702 3.960 0.033 0.000 0.249 198 G HA3 -0.278 3.702 3.960 0.033 0.000 0.249 198 G C 0.240 175.210 174.900 0.116 0.000 0.981 198 G CA 0.154 45.305 45.100 0.084 0.000 0.665 198 G HN 0.219 nan 8.290 nan 0.000 0.528 199 N N 1.029 119.817 118.700 0.146 0.000 3.034 199 N HA 0.381 5.141 4.740 0.033 0.000 0.265 199 N C 1.345 177.005 175.510 0.249 0.000 1.166 199 N CA 0.512 53.662 53.050 0.166 0.000 1.081 199 N CB 0.265 38.848 38.487 0.160 0.000 1.378 199 N HN 0.484 nan 8.380 nan 0.000 0.520 200 S N -0.814 115.041 115.700 0.258 0.000 2.559 200 S HA 0.279 4.769 4.470 0.033 0.000 0.226 200 S C 0.986 175.834 174.600 0.413 0.000 1.000 200 S CA -0.543 57.902 58.200 0.409 0.000 0.948 200 S CB 0.264 63.600 63.200 0.226 0.000 0.870 200 S HN 0.277 nan 8.310 nan 0.000 0.497 201 G N 2.513 111.449 108.800 0.227 0.000 2.599 201 G HA2 0.453 4.433 3.960 0.033 0.000 0.264 201 G HA3 0.453 4.433 3.960 0.033 0.000 0.264 201 G C -1.493 173.383 174.900 -0.039 0.000 1.200 201 G CA -1.473 43.721 45.100 0.157 0.000 0.896 201 G HN 0.114 nan 8.290 nan 0.000 0.536 202 P HA -0.161 nan 4.420 nan 0.000 0.216 202 P C 1.705 178.701 177.300 -0.506 0.000 1.150 202 P CA 1.535 64.410 63.100 -0.375 0.000 0.843 202 P CB 0.096 31.424 31.700 -0.621 0.000 0.787 203 E N 0.564 120.485 120.200 -0.464 0.000 2.265 203 E HA -0.157 4.213 4.350 0.033 0.000 0.196 203 E C 1.757 177.598 176.600 -1.264 0.000 0.996 203 E CA 1.600 57.606 56.400 -0.657 0.000 0.832 203 E CB -1.169 28.391 29.700 -0.233 0.000 0.756 203 E HN 0.195 nan 8.360 nan 0.000 0.491 204 A N 1.058 123.222 122.820 -1.093 0.000 2.119 204 A HA -0.141 4.199 4.320 0.033 0.000 0.217 204 A C 1.969 178.639 177.584 -1.522 0.000 1.153 204 A CA 1.278 52.560 52.037 -1.258 0.000 0.692 204 A CB -0.905 17.545 19.000 -0.916 0.000 0.799 204 A HN 0.478 nan 8.150 nan 0.000 0.458 205 H N 0.528 118.774 119.070 -1.373 0.000 2.319 205 H HA -0.086 4.489 4.556 0.032 0.000 0.299 205 H C 2.152 177.164 175.328 -0.528 0.000 1.092 205 H CA 2.249 57.849 56.048 -0.747 0.000 1.302 205 H CB -0.254 29.276 29.762 -0.387 0.000 1.373 205 H HN 0.372 nan 8.280 nan 0.000 0.497 206 A N 0.040 122.445 122.820 -0.691 0.000 1.908 206 A HA -0.203 4.137 4.320 0.033 0.000 0.218 206 A C 2.077 179.562 177.584 -0.164 0.000 1.181 206 A CA 1.698 53.482 52.037 -0.422 0.000 0.627 206 A CB -1.100 17.697 19.000 -0.338 0.000 0.818 206 A HN 0.611 nan 8.150 nan 0.000 0.445 207 Y N 1.174 121.308 120.300 -0.276 0.000 2.274 207 Y HA -0.134 4.432 4.550 0.027 0.000 0.290 207 Y C 2.996 178.788 175.900 -0.179 0.000 1.145 207 Y CA 0.692 58.683 58.100 -0.182 0.000 1.203 207 Y CB -1.216 37.134 38.460 -0.184 0.000 0.984 207 Y HN 0.493 nan 8.280 nan 0.000 0.533 208 S N 1.124 116.754 115.700 -0.118 0.000 2.515 208 S HA -0.072 4.418 4.470 0.033 0.000 0.231 208 S C 0.877 175.444 174.600 -0.054 0.000 0.987 208 S CA 0.116 58.288 58.200 -0.048 0.000 0.936 208 S CB -0.479 62.746 63.200 0.042 0.000 0.766 208 S HN 0.605 nan 8.310 nan 0.000 0.528 209 R N -0.143 120.290 120.500 -0.111 0.000 2.655 209 R HA 0.497 4.857 4.340 0.033 0.000 0.261 209 R C -3.465 172.800 176.300 -0.058 0.000 1.624 209 R CA -1.626 54.422 56.100 -0.087 0.000 1.655 209 R CB -0.016 30.206 30.300 -0.130 0.000 1.356 209 R HN 0.138 nan 8.270 nan 0.000 0.684 210 P HA 0.034 nan 4.420 nan 0.000 0.271 210 P C 0.794 178.086 177.300 -0.013 0.000 1.233 210 P CA 0.185 63.288 63.100 0.005 0.000 0.789 210 P CB 0.858 32.570 31.700 0.020 0.000 0.951 211 A N 1.458 124.269 122.820 -0.014 0.000 1.948 211 A HA -0.244 4.095 4.320 0.033 0.000 0.220 211 A C 1.868 179.441 177.584 -0.019 0.000 1.177 211 A CA 1.577 53.580 52.037 -0.058 0.000 0.636 211 A CB -1.110 17.836 19.000 -0.090 0.000 0.815 211 A HN 0.553 nan 8.150 nan 0.000 0.449 212 E N -0.121 120.086 120.200 0.012 0.000 2.160 212 E HA -0.175 4.195 4.350 0.033 0.000 0.195 212 E C 2.240 178.844 176.600 0.005 0.000 0.991 212 E CA 1.650 58.059 56.400 0.015 0.000 0.810 212 E CB -0.760 28.951 29.700 0.020 0.000 0.742 212 E HN 0.744 nan 8.360 nan 0.000 0.466 213 V N -0.577 119.336 119.914 -0.001 0.000 2.548 213 V HA -0.156 3.984 4.120 0.033 0.000 0.249 213 V C 2.190 178.286 176.094 0.002 0.000 1.055 213 V CA 2.095 64.396 62.300 0.002 0.000 1.065 213 V CB -0.378 31.446 31.823 0.001 0.000 0.681 213 V HN 0.125 nan 8.190 nan 0.000 0.462 214 E N 1.300 121.492 120.200 -0.013 0.000 2.072 214 E HA -0.051 4.319 4.350 0.033 0.000 0.190 214 E C 2.222 178.819 176.600 -0.005 0.000 0.982 214 E CA 1.298 57.688 56.400 -0.015 0.000 0.803 214 E CB -0.626 29.041 29.700 -0.055 0.000 0.755 214 E HN 0.634 nan 8.360 nan 0.000 0.453 215 G N 1.490 110.288 108.800 -0.005 0.000 2.440 215 G HA2 -0.314 3.666 3.960 0.033 0.000 0.218 215 G HA3 -0.314 3.666 3.960 0.033 0.000 0.218 215 G C 1.518 176.423 174.900 0.008 0.000 1.154 215 G CA 0.836 45.940 45.100 0.007 0.000 0.767 215 G HN 0.265 nan 8.290 nan 0.000 0.552 216 E N 1.212 121.417 120.200 0.007 0.000 2.031 216 E HA -0.119 4.250 4.350 0.033 0.000 0.193 216 E C 2.852 179.456 176.600 0.008 0.000 0.994 216 E CA 1.361 57.765 56.400 0.006 0.000 0.800 216 E CB -0.482 29.222 29.700 0.005 0.000 0.752 216 E HN 0.269 nan 8.360 nan 0.000 0.447 217 A N 1.299 124.129 122.820 0.017 0.000 1.902 217 A HA -0.076 4.263 4.320 0.033 0.000 0.217 217 A C 2.458 180.061 177.584 0.031 0.000 1.181 217 A CA 2.313 54.367 52.037 0.029 0.000 0.623 217 A CB -0.752 18.279 19.000 0.052 0.000 0.818 217 A HN 0.386 nan 8.150 nan 0.000 0.443 218 A N 0.245 123.080 122.820 0.026 0.000 1.902 218 A HA -0.229 4.111 4.320 0.033 0.000 0.217 218 A C 1.963 179.558 177.584 0.018 0.000 1.181 218 A CA 2.130 54.182 52.037 0.025 0.000 0.623 218 A CB -0.788 18.221 19.000 0.016 0.000 0.818 218 A HN 0.641 nan 8.150 nan 0.000 0.443 219 N N -0.466 118.239 118.700 0.009 0.000 2.120 219 N HA -0.201 4.558 4.740 0.033 0.000 0.188 219 N C 1.894 177.400 175.510 -0.006 0.000 1.024 219 N CA 1.830 54.879 53.050 -0.001 0.000 0.852 219 N CB -0.252 38.231 38.487 -0.005 0.000 1.003 219 N HN 0.537 nan 8.380 nan 0.000 0.424 220 R N -0.187 120.309 120.500 -0.007 0.000 2.062 220 R HA 0.051 4.411 4.340 0.033 0.000 0.229 220 R C 2.033 178.322 176.300 -0.018 0.000 1.128 220 R CA 1.351 57.435 56.100 -0.028 0.000 0.960 220 R CB -0.442 29.840 30.300 -0.030 0.000 0.855 220 R HN 0.248 nan 8.270 nan 0.000 0.432 221 A N 1.025 123.861 122.820 0.026 0.000 1.902 221 A HA -0.140 4.200 4.320 0.033 0.000 0.217 221 A C 2.174 179.850 177.584 0.154 0.000 1.181 221 A CA 1.520 53.624 52.037 0.112 0.000 0.623 221 A CB -0.566 18.529 19.000 0.158 0.000 0.818 221 A HN 0.401 nan 8.150 nan 0.000 0.443 222 I N -0.825 119.785 120.570 0.067 0.000 2.226 222 I HA -0.286 3.904 4.170 0.033 0.000 0.245 222 I C 2.763 178.895 176.117 0.025 0.000 1.100 222 I CA 1.664 62.985 61.300 0.034 0.000 1.374 222 I CB -0.281 37.719 38.000 0.000 0.000 1.057 222 I HN 0.423 nan 8.210 nan 0.000 0.413 223 M N 0.961 120.557 119.600 -0.006 0.000 2.117 223 M HA -0.214 4.286 4.480 0.033 0.000 0.262 223 M C 2.353 178.613 176.300 -0.067 0.000 1.065 223 M CA 2.110 57.383 55.300 -0.045 0.000 1.114 223 M CB -0.474 32.080 32.600 -0.077 0.000 1.361 223 M HN 0.167 nan 8.290 nan 0.000 0.408 224 I N 0.485 121.016 120.570 -0.065 0.000 2.226 224 I HA -0.241 3.949 4.170 0.033 0.000 0.245 224 I C 2.612 178.841 176.117 0.188 0.000 1.100 224 I CA 1.193 62.414 61.300 -0.132 0.000 1.374 224 I CB -0.652 37.198 38.000 -0.250 0.000 1.057 224 I HN 0.333 nan 8.210 nan 0.000 0.413 225 A N 0.326 123.354 122.820 0.346 0.000 1.898 225 A HA -0.279 4.060 4.320 0.033 0.000 0.216 225 A C 1.993 179.657 177.584 0.132 0.000 1.181 225 A CA 2.156 54.352 52.037 0.266 0.000 0.620 225 A CB -0.679 18.322 19.000 0.001 0.000 0.819 225 A HN 0.434 nan 8.150 nan 0.000 0.442 226 D N -0.721 119.723 120.400 0.072 0.000 2.104 226 D HA -0.180 4.479 4.640 0.033 0.000 0.194 226 D C 1.925 178.270 176.300 0.075 0.000 0.994 226 D CA 1.651 55.682 54.000 0.052 0.000 0.830 226 D CB -0.151 40.661 40.800 0.020 0.000 0.959 226 D HN 0.260 nan 8.370 nan 0.000 0.452 227 M N 0.119 119.752 119.600 0.055 0.000 2.175 227 M HA 0.035 4.535 4.480 0.033 0.000 0.264 227 M C 2.270 178.761 176.300 0.319 0.000 1.063 227 M CA 1.078 56.431 55.300 0.088 0.000 1.119 227 M CB -1.097 31.393 32.600 -0.184 0.000 1.377 227 M HN 0.146 nan 8.290 nan 0.000 0.415 228 A N -0.549 122.518 122.820 0.411 0.000 2.119 228 A HA 0.306 4.646 4.320 0.033 0.000 0.216 228 A C 1.648 179.349 177.584 0.196 0.000 1.152 228 A CA 1.141 53.413 52.037 0.392 0.000 0.708 228 A CB -0.784 18.488 19.000 0.454 0.000 0.805 228 A HN 0.637 nan 8.150 nan 0.000 0.460 229 G N -1.143 107.747 108.800 0.150 0.000 2.225 229 G HA2 -0.228 3.751 3.960 0.033 0.000 0.264 229 G HA3 -0.228 3.751 3.960 0.033 0.000 0.264 229 G C 0.207 175.157 174.900 0.082 0.000 1.060 229 G CA 0.487 45.650 45.100 0.105 0.000 0.833 229 G HN 1.698 nan 8.290 nan 0.000 0.498 230 C N -2.448 116.882 119.300 0.051 0.000 2.707 230 C HA 0.957 5.437 4.460 0.033 0.000 0.313 230 C C -1.763 173.199 174.990 -0.047 0.000 1.209 230 C CA -2.578 56.437 59.018 -0.004 0.000 1.635 230 C CB 1.856 29.564 27.740 -0.053 0.000 2.206 230 C HN 0.217 nan 8.230 nan 0.000 0.485 231 P HA 0.416 nan 4.420 nan 0.000 0.271 231 P C -0.673 176.557 177.300 -0.118 0.000 1.244 231 P CA -0.148 62.899 63.100 -0.089 0.000 0.793 231 P CB 0.507 32.206 31.700 -0.001 0.000 0.984 232 V N 0.722 120.566 119.914 -0.116 0.000 3.012 232 V HA 0.495 4.635 4.120 0.033 0.000 0.307 232 V C -2.053 174.106 176.094 0.108 0.000 1.166 232 V CA -0.820 61.429 62.300 -0.085 0.000 0.974 232 V CB 1.834 33.552 31.823 -0.176 0.000 1.040 232 V HN 0.449 nan 8.190 nan 0.000 0.428 233 Y N 6.351 126.668 120.300 0.029 0.000 2.328 233 Y HA 0.648 5.218 4.550 0.034 0.000 0.336 233 Y C -0.401 175.509 175.900 0.017 0.000 0.960 233 Y CA -1.049 57.119 58.100 0.112 0.000 1.134 233 Y CB 1.515 40.035 38.460 0.100 0.000 1.166 233 Y HN 0.525 nan 8.280 nan 0.000 0.464 234 I N 8.666 129.228 120.570 -0.014 0.000 2.291 234 I HA 0.134 4.324 4.170 0.033 0.000 0.290 234 I C 0.205 176.290 176.117 -0.052 0.000 1.050 234 I CA -0.596 60.697 61.300 -0.012 0.000 1.245 234 I CB 0.254 38.228 38.000 -0.043 0.000 1.405 234 I HN 0.445 nan 8.210 nan 0.000 0.478 235 V N 4.551 124.471 119.914 0.011 0.000 3.051 235 V HA 0.192 4.332 4.120 0.033 0.000 0.306 235 V C 0.604 176.572 176.094 -0.211 0.000 1.083 235 V CA -0.445 61.838 62.300 -0.028 0.000 1.104 235 V CB -0.101 31.611 31.823 -0.184 0.000 1.027 235 V HN 1.033 nan 8.190 nan 0.000 0.483 236 H N 0.695 119.907 119.070 0.237 0.000 2.394 236 H HA -0.148 4.428 4.556 0.033 0.000 0.322 236 H C 0.244 175.559 175.328 -0.022 0.000 1.012 236 H CA 0.569 56.696 56.048 0.131 0.000 1.084 236 H CB -2.966 26.899 29.762 0.172 0.000 1.597 236 H HN 1.451 nan 8.280 nan 0.000 0.375 237 T N -1.716 112.876 114.554 0.064 0.000 2.751 237 T HA 0.360 4.730 4.350 0.033 0.000 0.290 237 T C 1.256 175.885 174.700 -0.117 0.000 0.919 237 T CA -0.209 61.869 62.100 -0.036 0.000 1.136 237 T CB 1.232 70.048 68.868 -0.086 0.000 0.875 237 T HN 0.914 nan 8.240 nan 0.000 0.532 238 S N 1.564 117.121 115.700 -0.239 0.000 2.526 238 S HA 0.252 4.741 4.470 0.033 0.000 0.220 238 S C 0.857 175.272 174.600 -0.307 0.000 1.017 238 S CA -0.100 57.807 58.200 -0.488 0.000 0.930 238 S CB -0.609 61.968 63.200 -1.037 0.000 0.856 238 S HN 1.146 nan 8.310 nan 0.000 0.497 239 C N 0.729 119.905 119.300 -0.206 0.000 3.171 239 C HA 0.711 5.191 4.460 0.033 0.000 0.308 239 C C 1.316 176.373 174.990 0.112 0.000 1.334 239 C CA -0.357 58.535 59.018 -0.211 0.000 1.473 239 C CB 1.314 28.752 27.740 -0.504 0.000 1.866 239 C HN 0.501 nan 8.230 nan 0.000 0.465 240 E N 0.788 121.237 120.200 0.416 0.000 2.204 240 E HA -0.227 4.143 4.350 0.033 0.000 0.195 240 E C 1.408 178.108 176.600 0.167 0.000 0.990 240 E CA 1.548 58.120 56.400 0.287 0.000 0.821 240 E CB -0.212 29.622 29.700 0.224 0.000 0.750 240 E HN 0.787 nan 8.360 nan 0.000 0.477 241 Q N 1.294 121.179 119.800 0.140 0.000 2.084 241 Q HA -0.074 4.285 4.340 0.033 0.000 0.202 241 Q C 2.276 178.307 176.000 0.052 0.000 0.978 241 Q CA 2.045 57.892 55.803 0.074 0.000 0.844 241 Q CB -0.351 28.422 28.738 0.057 0.000 0.898 241 Q HN 0.448 nan 8.270 nan 0.000 0.426 242 A N -0.034 122.812 122.820 0.045 0.000 1.898 242 A HA -0.241 4.098 4.320 0.033 0.000 0.216 242 A C 1.928 179.568 177.584 0.094 0.000 1.181 242 A CA 1.680 53.741 52.037 0.040 0.000 0.620 242 A CB -0.908 18.095 19.000 0.004 0.000 0.819 242 A HN 0.566 nan 8.150 nan 0.000 0.442 243 H N -1.047 118.017 119.070 -0.009 0.000 2.352 243 H HA -0.156 4.417 4.556 0.030 0.000 0.299 243 H C 2.234 177.559 175.328 -0.005 0.000 1.097 243 H CA 1.341 57.385 56.048 -0.007 0.000 1.311 243 H CB 0.120 29.889 29.762 0.011 0.000 1.377 243 H HN 0.525 nan 8.280 nan 0.000 0.504 244 E N 1.041 121.239 120.200 -0.003 0.000 2.110 244 E HA -0.148 4.222 4.350 0.033 0.000 0.193 244 E C 2.272 178.846 176.600 -0.043 0.000 0.988 244 E CA 1.025 57.376 56.400 -0.082 0.000 0.804 244 E CB -0.223 29.456 29.700 -0.036 0.000 0.745 244 E HN 0.576 nan 8.360 nan 0.000 0.458 245 A N 1.160 123.977 122.820 -0.004 0.000 1.902 245 A HA -0.145 4.195 4.320 0.033 0.000 0.217 245 A C 2.421 180.000 177.584 -0.009 0.000 1.181 245 A CA 1.465 53.499 52.037 -0.005 0.000 0.623 245 A CB -0.639 18.364 19.000 0.005 0.000 0.818 245 A HN 0.314 nan 8.150 nan 0.000 0.443 246 I N -1.043 119.535 120.570 0.013 0.000 2.202 246 I HA -0.252 3.938 4.170 0.033 0.000 0.242 246 I C 2.792 178.902 176.117 -0.010 0.000 1.091 246 I CA 1.279 62.585 61.300 0.010 0.000 1.368 246 I CB -0.358 37.678 38.000 0.061 0.000 1.058 246 I HN 0.274 nan 8.210 nan 0.000 0.410 247 R N 0.348 120.830 120.500 -0.029 0.000 2.091 247 R HA -0.206 4.153 4.340 0.033 0.000 0.238 247 R C 2.448 178.712 176.300 -0.059 0.000 1.136 247 R CA 1.574 57.630 56.100 -0.072 0.000 0.959 247 R CB -0.430 29.767 30.300 -0.173 0.000 0.856 247 R HN 0.337 nan 8.270 nan 0.000 0.437 248 R N 0.658 121.125 120.500 -0.054 0.000 2.075 248 R HA -0.081 4.279 4.340 0.033 0.000 0.232 248 R C 2.168 178.447 176.300 -0.035 0.000 1.126 248 R CA 1.450 57.525 56.100 -0.042 0.000 0.963 248 R CB -0.221 30.058 30.300 -0.035 0.000 0.858 248 R HN 0.196 nan 8.270 nan 0.000 0.435 249 A N 1.091 123.889 122.820 -0.035 0.000 1.877 249 A HA -0.143 4.197 4.320 0.033 0.000 0.216 249 A C 2.184 179.740 177.584 -0.048 0.000 1.186 249 A CA 1.465 53.480 52.037 -0.037 0.000 0.620 249 A CB -0.448 18.527 19.000 -0.042 0.000 0.822 249 A HN 0.372 nan 8.150 nan 0.000 0.443 250 R N -0.596 119.870 120.500 -0.057 0.000 2.092 250 R HA -0.034 4.326 4.340 0.033 0.000 0.231 250 R C 2.352 178.620 176.300 -0.054 0.000 1.119 250 R CA 1.047 57.106 56.100 -0.068 0.000 0.970 250 R CB -0.424 29.837 30.300 -0.066 0.000 0.864 250 R HN 0.506 nan 8.270 nan 0.000 0.440 251 A N 1.283 124.076 122.820 -0.044 0.000 2.070 251 A HA -0.151 4.189 4.320 0.033 0.000 0.220 251 A C 1.595 179.160 177.584 -0.031 0.000 1.159 251 A CA 1.232 53.246 52.037 -0.037 0.000 0.656 251 A CB -0.108 18.871 19.000 -0.035 0.000 0.800 251 A HN 0.190 nan 8.150 nan 0.000 0.453 252 K N -1.506 118.878 120.400 -0.026 0.000 2.444 252 K HA 0.263 4.603 4.320 0.033 0.000 0.193 252 K C 1.024 177.618 176.600 -0.010 0.000 1.024 252 K CA 0.478 56.759 56.287 -0.009 0.000 1.077 252 K CB 0.083 32.584 32.500 0.001 0.000 0.833 252 K HN 0.601 nan 8.250 nan 0.000 0.517 253 G N 1.213 109.990 108.800 -0.039 0.000 2.175 253 G HA2 -0.275 3.705 3.960 0.033 0.000 0.244 253 G HA3 -0.275 3.705 3.960 0.033 0.000 0.244 253 G C 0.133 174.997 174.900 -0.059 0.000 0.982 253 G CA -0.233 44.829 45.100 -0.065 0.000 0.641 253 G HN 0.130 nan 8.290 nan 0.000 0.527 254 M N 0.610 120.181 119.600 -0.049 0.000 2.243 254 M HA 0.364 4.864 4.480 0.033 0.000 0.341 254 M C 0.710 176.931 176.300 -0.133 0.000 1.130 254 M CA -0.015 55.249 55.300 -0.059 0.000 1.162 254 M CB 0.427 33.000 32.600 -0.046 0.000 1.497 254 M HN -0.088 nan 8.290 nan 0.000 0.456 255 R N 2.462 122.861 120.500 -0.167 0.000 2.593 255 R HA 0.407 4.767 4.340 0.033 0.000 0.282 255 R C -1.372 174.634 176.300 -0.489 0.000 1.300 255 R CA -0.240 55.666 56.100 -0.323 0.000 1.221 255 R CB -0.594 29.561 30.300 -0.242 0.000 1.157 255 R HN 0.418 nan 8.270 nan 0.000 0.555 256 V N 4.732 124.329 119.914 -0.528 0.000 2.531 256 V HA 0.476 4.615 4.120 0.033 0.000 0.301 256 V C -0.522 175.270 176.094 -0.503 0.000 1.034 256 V CA -0.805 61.241 62.300 -0.423 0.000 0.865 256 V CB 1.650 33.355 31.823 -0.196 0.000 0.995 256 V HN 0.352 nan 8.190 nan 0.000 0.424 257 F N 1.969 121.850 119.950 -0.115 0.000 2.470 257 F HA 0.866 5.412 4.527 0.032 0.000 0.329 257 F C 0.842 176.409 175.800 -0.388 0.000 1.072 257 F CA -0.739 57.119 58.000 -0.236 0.000 0.989 257 F CB 1.980 40.825 39.000 -0.258 0.000 1.193 257 F HN 0.564 nan 8.300 nan 0.000 0.481 258 G N 0.541 109.226 108.800 -0.192 0.000 2.591 258 G HA2 0.524 4.503 3.960 0.033 0.000 0.306 258 G HA3 0.524 4.503 3.960 0.033 0.000 0.306 258 G C -1.853 172.852 174.900 -0.325 0.000 1.334 258 G CA -0.568 44.371 45.100 -0.269 0.000 0.981 258 G HN 0.602 nan 8.290 nan 0.000 0.491 259 E N 2.734 122.763 120.200 -0.286 0.000 2.437 259 E HA 0.304 4.674 4.350 0.033 0.000 0.238 259 E C -2.609 173.974 176.600 -0.028 0.000 0.969 259 E CA -2.047 54.270 56.400 -0.139 0.000 0.759 259 E CB 2.516 32.210 29.700 -0.010 0.000 1.283 259 E HN 0.279 nan 8.360 nan 0.000 0.416 260 P HA 0.113 nan 4.420 nan 0.000 0.280 260 P C 0.025 177.335 177.300 0.016 0.000 1.244 260 P CA -0.183 62.888 63.100 -0.049 0.000 0.784 260 P CB 1.109 32.703 31.700 -0.176 0.000 0.913 261 L N 4.114 125.414 121.223 0.130 0.000 2.439 261 L HA 0.083 4.442 4.340 0.033 0.000 0.269 261 L C 2.296 179.173 176.870 0.011 0.000 1.179 261 L CA -0.525 54.381 54.840 0.110 0.000 0.828 261 L CB 0.181 42.342 42.059 0.169 0.000 1.106 261 L HN 0.309 nan 8.230 nan 0.000 0.467 262 I N 1.984 122.566 120.570 0.021 0.000 2.248 262 I HA -0.303 3.887 4.170 0.033 0.000 0.248 262 I C 2.233 178.402 176.117 0.087 0.000 1.107 262 I CA 1.687 63.004 61.300 0.028 0.000 1.373 262 I CB -0.190 37.841 38.000 0.051 0.000 1.055 262 I HN 0.705 nan 8.210 nan 0.000 0.418 263 Q N -0.489 119.336 119.800 0.042 0.000 2.096 263 Q HA -0.233 4.126 4.340 0.033 0.000 0.204 263 Q C 2.079 177.766 176.000 -0.521 0.000 0.982 263 Q CA 2.311 57.936 55.803 -0.297 0.000 0.850 263 Q CB -0.512 27.940 28.738 -0.478 0.000 0.901 263 Q HN 0.683 nan 8.270 nan 0.000 0.422 264 H N -0.999 117.961 119.070 -0.183 0.000 2.529 264 H HA 0.083 4.656 4.556 0.029 0.000 0.277 264 H C 1.385 176.623 175.328 -0.151 0.000 0.999 264 H CA 0.477 56.421 56.048 -0.173 0.000 1.256 264 H CB 0.240 29.948 29.762 -0.090 0.000 1.402 264 H HN 0.115 nan 8.280 nan 0.000 0.566 265 L N -0.292 120.872 121.223 -0.099 0.000 2.270 265 L HA -0.019 4.341 4.340 0.033 0.000 0.210 265 L C 1.706 178.653 176.870 0.128 0.000 1.104 265 L CA 1.449 56.178 54.840 -0.186 0.000 0.804 265 L CB 0.205 41.925 42.059 -0.564 0.000 0.937 265 L HN 0.423 nan 8.230 nan 0.000 0.450 266 T N -4.817 109.766 114.554 0.049 0.000 3.041 266 T HA 0.352 4.722 4.350 0.033 0.000 0.276 266 T C 0.280 174.926 174.700 -0.089 0.000 0.948 266 T CA -0.269 61.876 62.100 0.075 0.000 0.885 266 T CB 0.208 69.169 68.868 0.154 0.000 1.175 266 T HN -0.065 nan 8.240 nan 0.000 0.529 267 L N 1.724 122.778 121.223 -0.282 0.000 2.301 267 L HA 0.855 5.215 4.340 0.033 0.000 0.264 267 L C -1.103 175.513 176.870 -0.423 0.000 1.016 267 L CA -1.165 53.389 54.840 -0.477 0.000 0.821 267 L CB 2.064 43.526 42.059 -0.996 0.000 1.346 267 L HN 0.372 nan 8.230 nan 0.000 0.429 268 D N -2.636 117.617 120.400 -0.244 0.000 2.626 268 D HA 0.159 4.819 4.640 0.033 0.000 0.278 268 D C 0.044 176.341 176.300 -0.004 0.000 1.211 268 D CA -0.702 53.263 54.000 -0.059 0.000 0.903 268 D CB 0.964 41.763 40.800 -0.001 0.000 1.408 268 D HN 0.655 nan 8.370 nan 0.000 0.454 269 E N -0.889 119.312 120.200 0.001 0.000 2.409 269 E HA -0.174 4.195 4.350 0.033 0.000 0.198 269 E C 1.222 177.462 176.600 -0.600 0.000 1.024 269 E CA 1.326 57.624 56.400 -0.170 0.000 0.861 269 E CB -0.581 29.163 29.700 0.074 0.000 0.788 269 E HN 0.564 nan 8.360 nan 0.000 0.521 270 T N -0.679 113.666 114.554 -0.350 0.000 2.977 270 T HA -0.120 4.249 4.350 0.033 0.000 0.271 270 T C 1.505 175.997 174.700 -0.347 0.000 1.105 270 T CA 0.848 62.740 62.100 -0.345 0.000 1.116 270 T CB -0.102 68.782 68.868 0.026 0.000 0.878 270 T HN 0.108 nan 8.240 nan 0.000 0.509 271 E N 1.031 121.025 120.200 -0.342 0.000 2.160 271 E HA -0.139 4.231 4.350 0.033 0.000 0.195 271 E C 1.632 178.042 176.600 -0.318 0.000 0.991 271 E CA 1.209 57.461 56.400 -0.247 0.000 0.810 271 E CB -0.452 29.074 29.700 -0.290 0.000 0.742 271 E HN 0.690 nan 8.360 nan 0.000 0.466 272 Y N -0.646 119.400 120.300 -0.424 0.000 2.509 272 Y HA -0.075 4.494 4.550 0.032 0.000 0.293 272 Y C 1.655 177.456 175.900 -0.164 0.000 1.133 272 Y CA 0.322 58.177 58.100 -0.408 0.000 1.283 272 Y CB -0.301 37.843 38.460 -0.526 0.000 1.001 272 Y HN -0.001 nan 8.280 nan 0.000 0.555 273 F N -0.592 119.409 119.950 0.085 0.000 2.765 273 F HA 0.100 4.633 4.527 0.012 0.000 0.302 273 F C 1.020 176.825 175.800 0.007 0.000 1.111 273 F CA -0.978 57.054 58.000 0.055 0.000 1.359 273 F CB -0.614 38.429 39.000 0.071 0.000 1.097 273 F HN -0.079 nan 8.300 nan 0.000 0.577 274 D N 1.468 121.926 120.400 0.096 0.000 2.443 274 D HA -0.062 4.598 4.640 0.033 0.000 0.239 274 D C 1.162 177.479 176.300 0.029 0.000 1.136 274 D CA 0.163 54.150 54.000 -0.022 0.000 0.879 274 D CB 1.087 41.759 40.800 -0.212 0.000 1.195 274 D HN -0.066 nan 8.370 nan 0.000 0.443 275 K N 1.948 122.357 120.400 0.015 0.000 2.362 275 K HA -0.122 4.218 4.320 0.033 0.000 0.200 275 K C 0.179 176.822 176.600 0.072 0.000 1.046 275 K CA 0.465 56.781 56.287 0.048 0.000 0.952 275 K CB -0.244 32.278 32.500 0.036 0.000 0.753 275 K HN 0.477 nan 8.250 nan 0.000 0.466 276 D N -0.647 119.787 120.400 0.057 0.000 2.295 276 D HA 0.005 4.665 4.640 0.033 0.000 0.248 276 D C 0.821 177.220 176.300 0.164 0.000 1.154 276 D CA -0.381 53.688 54.000 0.115 0.000 0.857 276 D CB 0.473 41.332 40.800 0.098 0.000 1.117 276 D HN 0.053 nan 8.370 nan 0.000 0.468 277 W N 3.845 125.165 121.300 0.033 0.000 2.333 277 W HA -0.194 4.488 4.660 0.038 0.000 0.316 277 W C 1.471 177.994 176.519 0.007 0.000 1.215 277 W CA 1.306 58.666 57.345 0.024 0.000 1.278 277 W CB 0.105 29.572 29.460 0.012 0.000 1.154 277 W HN 0.491 nan 8.180 nan 0.000 0.486 278 D N -1.399 119.240 120.400 0.398 0.000 2.104 278 D HA -0.293 4.367 4.640 0.033 0.000 0.194 278 D C 1.748 177.992 176.300 -0.093 0.000 0.994 278 D CA 2.144 56.259 54.000 0.191 0.000 0.830 278 D CB -0.967 39.926 40.800 0.156 0.000 0.959 278 D HN 0.386 nan 8.370 nan 0.000 0.452 279 H N 0.662 119.665 119.070 -0.112 0.000 2.289 279 H HA -0.135 4.440 4.556 0.031 0.000 0.296 279 H C 1.944 177.124 175.328 -0.247 0.000 1.091 279 H CA 2.546 58.494 56.048 -0.168 0.000 1.274 279 H CB -0.023 29.683 29.762 -0.094 0.000 1.364 279 H HN 0.103 nan 8.280 nan 0.000 0.490 280 A N 0.560 123.331 122.820 -0.083 0.000 1.898 280 A HA -0.027 4.313 4.320 0.033 0.000 0.216 280 A C 2.576 179.971 177.584 -0.314 0.000 1.181 280 A CA 1.544 53.485 52.037 -0.160 0.000 0.620 280 A CB -1.255 17.652 19.000 -0.155 0.000 0.819 280 A HN 0.624 nan 8.150 nan 0.000 0.442 281 A N -0.225 122.248 122.820 -0.577 0.000 1.930 281 A HA -0.128 4.212 4.320 0.033 0.000 0.217 281 A C 2.174 179.522 177.584 -0.392 0.000 1.175 281 A CA 1.405 53.056 52.037 -0.642 0.000 0.627 281 A CB -0.452 17.890 19.000 -1.096 0.000 0.815 281 A HN 0.534 nan 8.150 nan 0.000 0.443 282 R N -0.943 119.302 120.500 -0.425 0.000 2.159 282 R HA -0.095 4.265 4.340 0.033 0.000 0.237 282 R C 1.721 177.841 176.300 -0.301 0.000 1.131 282 R CA 1.510 57.327 56.100 -0.472 0.000 0.982 282 R CB -0.166 29.557 30.300 -0.962 0.000 0.868 282 R HN 0.343 nan 8.270 nan 0.000 0.453 283 R N -0.203 120.066 120.500 -0.385 0.000 2.317 283 R HA 0.121 4.481 4.340 0.033 0.000 0.208 283 R C -0.261 175.800 176.300 -0.397 0.000 0.914 283 R CA -0.013 55.749 56.100 -0.564 0.000 1.060 283 R CB 0.664 30.351 30.300 -1.021 0.000 1.015 283 R HN -0.087 nan 8.270 nan 0.000 0.498 284 V N 3.099 122.894 119.914 -0.199 0.000 2.485 284 V HA 0.127 4.267 4.120 0.033 0.000 0.287 284 V C 0.310 176.279 176.094 -0.209 0.000 1.022 284 V CA 0.669 62.806 62.300 -0.270 0.000 1.067 284 V CB 0.216 31.768 31.823 -0.452 0.000 0.967 284 V HN 0.327 nan 8.190 nan 0.000 0.479 285 M N 3.487 123.031 119.600 -0.093 0.000 2.880 285 M HA 0.701 5.201 4.480 0.033 0.000 0.269 285 M C -1.088 175.401 176.300 0.315 0.000 1.248 285 M CA -0.655 54.704 55.300 0.098 0.000 0.821 285 M CB 2.446 35.130 32.600 0.140 0.000 1.650 285 M HN 0.203 nan 8.290 nan 0.000 0.479 286 S N 1.762 117.663 115.700 0.335 0.000 2.605 286 S HA 0.693 5.183 4.470 0.033 0.000 0.308 286 S C -2.736 171.886 174.600 0.037 0.000 1.113 286 S CA -1.080 57.312 58.200 0.321 0.000 1.049 286 S CB 1.599 65.072 63.200 0.454 0.000 1.001 286 S HN 0.508 nan 8.310 nan 0.000 0.480 287 P HA 0.295 nan 4.420 nan 0.000 0.272 287 P C -2.673 174.772 177.300 0.242 0.000 1.223 287 P CA -1.565 61.523 63.100 -0.020 0.000 0.784 287 P CB -0.515 31.061 31.700 -0.207 0.000 0.923 288 P HA 0.071 nan 4.420 nan 0.000 0.272 288 P C -0.059 177.628 177.300 0.645 0.000 1.240 288 P CA -0.056 63.275 63.100 0.385 0.000 0.791 288 P CB 0.225 32.029 31.700 0.174 0.000 0.978 289 F N 0.901 121.085 119.950 0.391 0.000 2.629 289 F HA 0.066 4.611 4.527 0.030 0.000 0.369 289 F C 1.708 177.641 175.800 0.221 0.000 1.125 289 F CA 0.597 58.723 58.000 0.209 0.000 1.330 289 F CB -0.559 38.349 39.000 -0.153 0.000 1.071 289 F HN 0.135 nan 8.300 nan 0.000 0.595 290 R N 1.064 121.771 120.500 0.345 0.000 2.856 290 R HA 0.206 4.565 4.340 0.033 0.000 0.258 290 R C -0.068 176.377 176.300 0.242 0.000 1.066 290 R CA -1.277 54.953 56.100 0.216 0.000 1.045 290 R CB 0.542 30.863 30.300 0.034 0.000 1.178 290 R HN 0.521 nan 8.270 nan 0.000 0.499 291 N N 1.884 120.767 118.700 0.304 0.000 2.292 291 N HA -0.134 4.626 4.740 0.033 0.000 0.258 291 N C 0.827 176.489 175.510 0.252 0.000 1.261 291 N CA 0.628 53.848 53.050 0.283 0.000 0.845 291 N CB 0.659 39.310 38.487 0.274 0.000 1.064 291 N HN 0.454 nan 8.380 nan 0.000 0.471 292 K N 3.085 123.576 120.400 0.153 0.000 2.218 292 K HA -0.187 4.152 4.320 0.033 0.000 0.205 292 K C 1.812 178.477 176.600 0.107 0.000 1.046 292 K CA 1.320 57.677 56.287 0.116 0.000 0.933 292 K CB -0.115 32.432 32.500 0.079 0.000 0.728 292 K HN 0.638 nan 8.250 nan 0.000 0.454 293 L N -1.194 120.065 121.223 0.060 0.000 2.187 293 L HA -0.167 4.193 4.340 0.033 0.000 0.213 293 L C 1.797 178.637 176.870 -0.050 0.000 1.100 293 L CA 1.751 56.576 54.840 -0.026 0.000 0.765 293 L CB -0.901 41.096 42.059 -0.102 0.000 0.904 293 L HN 0.177 nan 8.230 nan 0.000 0.437 294 H N 0.092 119.213 119.070 0.085 0.000 2.524 294 H HA 0.004 4.586 4.556 0.044 0.000 0.282 294 H C 1.989 177.381 175.328 0.105 0.000 1.016 294 H CA 1.340 57.439 56.048 0.085 0.000 1.270 294 H CB 0.109 29.910 29.762 0.065 0.000 1.394 294 H HN 0.643 nan 8.280 nan 0.000 0.568 295 Q N 0.468 120.404 119.800 0.228 0.000 2.084 295 Q HA -0.136 4.224 4.340 0.033 0.000 0.202 295 Q C 1.630 177.843 176.000 0.355 0.000 0.978 295 Q CA 1.267 57.225 55.803 0.257 0.000 0.844 295 Q CB 0.129 29.041 28.738 0.290 0.000 0.898 295 Q HN 0.373 nan 8.270 nan 0.000 0.426 296 D N -0.193 120.377 120.400 0.283 0.000 2.144 296 D HA -0.134 4.525 4.640 0.033 0.000 0.199 296 D C 1.945 178.400 176.300 0.257 0.000 0.984 296 D CA 1.124 55.284 54.000 0.266 0.000 0.834 296 D CB -0.282 40.602 40.800 0.140 0.000 0.955 296 D HN 0.069 nan 8.370 nan 0.000 0.465 297 S N -0.434 115.396 115.700 0.217 0.000 2.368 297 S HA -0.094 4.396 4.470 0.033 0.000 0.225 297 S C 2.075 176.840 174.600 0.275 0.000 1.030 297 S CA 0.733 59.092 58.200 0.265 0.000 0.999 297 S CB -0.221 63.145 63.200 0.277 0.000 0.844 297 S HN 0.198 nan 8.310 nan 0.000 0.459 298 L N -0.947 120.349 121.223 0.121 0.000 2.027 298 L HA -0.056 4.304 4.340 0.033 0.000 0.206 298 L C 2.460 179.280 176.870 -0.082 0.000 1.074 298 L CA 1.448 56.215 54.840 -0.122 0.000 0.745 298 L CB -0.730 41.219 42.059 -0.183 0.000 0.898 298 L HN 0.424 nan 8.230 nan 0.000 0.433 299 W N 0.145 121.458 121.300 0.022 0.000 2.338 299 W HA -0.203 4.471 4.660 0.023 0.000 0.304 299 W C 2.763 179.302 176.519 0.033 0.000 1.212 299 W CA 1.178 58.539 57.345 0.025 0.000 1.264 299 W CB -0.335 29.148 29.460 0.037 0.000 1.142 299 W HN 0.115 nan 8.180 nan 0.000 0.512 300 A N 0.472 123.477 122.820 0.309 0.000 1.940 300 A HA -0.119 4.221 4.320 0.033 0.000 0.219 300 A C 2.213 179.916 177.584 0.198 0.000 1.176 300 A CA 2.031 54.201 52.037 0.221 0.000 0.631 300 A CB -1.553 17.564 19.000 0.195 0.000 0.814 300 A HN 0.340 nan 8.150 nan 0.000 0.446 301 G N -0.278 108.650 108.800 0.214 0.000 2.440 301 G HA2 -0.143 3.837 3.960 0.033 0.000 0.218 301 G HA3 -0.143 3.837 3.960 0.033 0.000 0.218 301 G C 1.351 176.276 174.900 0.041 0.000 1.154 301 G CA 1.070 46.253 45.100 0.138 0.000 0.767 301 G HN 0.347 nan 8.290 nan 0.000 0.552 302 L N 1.032 122.262 121.223 0.013 0.000 2.093 302 L HA 0.040 4.400 4.340 0.033 0.000 0.208 302 L C 3.246 180.154 176.870 0.064 0.000 1.085 302 L CA 1.742 56.591 54.840 0.014 0.000 0.755 302 L CB -1.495 40.562 42.059 -0.002 0.000 0.904 302 L HN 0.343 nan 8.230 nan 0.000 0.435 303 A N -0.164 122.720 122.820 0.107 0.000 1.969 303 A HA -0.125 4.214 4.320 0.033 0.000 0.218 303 A C 2.375 179.995 177.584 0.060 0.000 1.169 303 A CA 1.735 53.824 52.037 0.087 0.000 0.635 303 A CB -0.345 18.714 19.000 0.098 0.000 0.810 303 A HN 0.540 nan 8.150 nan 0.000 0.445 304 S N -3.109 112.631 115.700 0.068 0.000 2.511 304 S HA 0.425 4.915 4.470 0.033 0.000 0.214 304 S C 1.339 175.965 174.600 0.043 0.000 0.997 304 S CA 1.061 59.292 58.200 0.053 0.000 0.908 304 S CB 0.268 63.505 63.200 0.063 0.000 0.803 304 S HN 1.850 nan 8.310 nan 0.000 0.504 305 G N 1.539 110.366 108.800 0.045 0.000 2.176 305 G HA2 -0.314 3.666 3.960 0.033 0.000 0.232 305 G HA3 -0.314 3.666 3.960 0.033 0.000 0.232 305 G C 0.951 175.878 174.900 0.044 0.000 0.986 305 G CA 0.591 45.711 45.100 0.033 0.000 0.643 305 G HN 1.191 nan 8.290 nan 0.000 0.522 306 S N -0.810 114.937 115.700 0.077 0.000 2.496 306 S HA 0.499 4.989 4.470 0.033 0.000 0.224 306 S C 0.836 175.482 174.600 0.076 0.000 0.996 306 S CA 0.561 58.827 58.200 0.109 0.000 0.927 306 S CB 0.239 63.562 63.200 0.205 0.000 0.774 306 S HN 0.613 nan 8.310 nan 0.000 0.524 307 L N 0.774 121.997 121.223 -0.001 0.000 2.386 307 L HA 0.529 4.889 4.340 0.033 0.000 0.271 307 L C 0.080 176.909 176.870 -0.068 0.000 0.993 307 L CA -0.613 54.167 54.840 -0.100 0.000 0.819 307 L CB 2.244 44.160 42.059 -0.237 0.000 1.294 307 L HN -0.065 nan 8.230 nan 0.000 0.414 308 Q N 1.073 120.829 119.800 -0.072 0.000 2.280 308 Q HA 0.288 4.648 4.340 0.033 0.000 0.244 308 Q C -0.672 175.281 176.000 -0.079 0.000 0.847 308 Q CA 0.290 56.062 55.803 -0.051 0.000 0.945 308 Q CB 1.666 30.404 28.738 0.002 0.000 1.115 308 Q HN 0.403 nan 8.270 nan 0.000 0.513 309 V N 0.715 120.572 119.914 -0.095 0.000 2.623 309 V HA 0.437 4.576 4.120 0.033 0.000 0.304 309 V C -0.892 175.171 176.094 -0.053 0.000 1.054 309 V CA -0.991 61.275 62.300 -0.057 0.000 0.882 309 V CB 2.258 34.102 31.823 0.034 0.000 1.002 309 V HN -0.188 nan 8.190 nan 0.000 0.424 310 V N 3.997 123.871 119.914 -0.067 0.000 2.427 310 V HA 0.909 5.048 4.120 0.033 0.000 0.286 310 V C 0.468 176.569 176.094 0.010 0.000 1.034 310 V CA 0.176 62.439 62.300 -0.061 0.000 0.893 310 V CB 1.290 33.038 31.823 -0.125 0.000 0.982 310 V HN 1.112 nan 8.190 nan 0.000 0.452 311 A N 3.494 126.356 122.820 0.070 0.000 2.507 311 A HA 0.849 5.188 4.320 0.033 0.000 0.284 311 A C 0.613 178.276 177.584 0.131 0.000 1.281 311 A CA 0.303 52.421 52.037 0.135 0.000 0.744 311 A CB 1.713 20.869 19.000 0.260 0.000 1.332 311 A HN 0.836 nan 8.150 nan 0.000 0.454 312 T N -3.991 110.659 114.554 0.160 0.000 2.954 312 T HA 0.239 4.608 4.350 0.033 0.000 0.252 312 T C 0.193 174.957 174.700 0.107 0.000 0.983 312 T CA 1.172 63.366 62.100 0.157 0.000 0.941 312 T CB 0.020 69.021 68.868 0.221 0.000 1.141 312 T HN 0.982 nan 8.240 nan 0.000 0.500 313 D N 1.751 122.154 120.400 0.006 0.000 2.708 313 D HA -0.230 4.429 4.640 0.033 0.000 0.236 313 D C -0.228 176.212 176.300 0.233 0.000 1.146 313 D CA 0.462 54.383 54.000 -0.131 0.000 0.662 313 D CB -2.439 38.208 40.800 -0.254 0.000 1.059 313 D HN 0.859 nan 8.370 nan 0.000 0.428 314 H N 0.304 119.481 119.070 0.179 0.000 3.191 314 H HA 0.293 4.869 4.556 0.033 0.000 0.261 314 H C -0.379 175.057 175.328 0.180 0.000 1.013 314 H CA 0.792 56.930 56.048 0.151 0.000 1.457 314 H CB 0.065 29.880 29.762 0.090 0.000 1.535 314 H HN 0.279 nan 8.280 nan 0.000 0.518 315 C N 5.952 125.254 119.300 0.003 0.000 2.660 315 C HA 0.705 5.185 4.460 0.033 0.000 0.336 315 C C -0.453 174.383 174.990 -0.256 0.000 1.058 315 C CA -0.216 58.805 59.018 0.005 0.000 1.368 315 C CB -1.176 26.672 27.740 0.179 0.000 1.884 315 C HN 0.965 nan 8.230 nan 0.000 0.454 316 A N 5.103 127.666 122.820 -0.428 0.000 2.292 316 A HA 0.909 5.248 4.320 0.033 0.000 0.319 316 A C -1.091 176.126 177.584 -0.611 0.000 1.206 316 A CA -0.195 51.604 52.037 -0.397 0.000 0.835 316 A CB 0.448 19.297 19.000 -0.252 0.000 1.164 316 A HN 0.736 nan 8.150 nan 0.000 0.505 317 F N 0.671 120.650 119.950 0.049 0.000 2.551 317 F HA 0.490 5.036 4.527 0.032 0.000 0.316 317 F C 1.142 177.033 175.800 0.152 0.000 1.089 317 F CA -0.298 57.764 58.000 0.103 0.000 0.915 317 F CB 2.238 41.310 39.000 0.119 0.000 1.186 317 F HN 0.689 nan 8.300 nan 0.000 0.456 318 T N -2.105 112.642 114.554 0.322 0.000 2.802 318 T HA 0.086 4.456 4.350 0.033 0.000 0.305 318 T C 1.148 176.097 174.700 0.415 0.000 1.053 318 T CA -0.240 62.041 62.100 0.302 0.000 1.058 318 T CB 0.824 69.814 68.868 0.203 0.000 0.988 318 T HN 0.655 nan 8.240 nan 0.000 0.539 319 T N 0.177 114.982 114.554 0.418 0.000 2.759 319 T HA -0.149 4.220 4.350 0.033 0.000 0.269 319 T C 2.042 176.874 174.700 0.219 0.000 1.042 319 T CA 1.594 63.856 62.100 0.270 0.000 1.140 319 T CB -0.463 68.523 68.868 0.197 0.000 0.864 319 T HN 0.747 nan 8.240 nan 0.000 0.455 320 E N 1.062 121.379 120.200 0.195 0.000 2.051 320 E HA -0.198 4.172 4.350 0.033 0.000 0.192 320 E C 2.287 178.998 176.600 0.186 0.000 0.991 320 E CA 1.564 58.059 56.400 0.159 0.000 0.799 320 E CB -0.431 29.347 29.700 0.130 0.000 0.748 320 E HN 0.754 nan 8.360 nan 0.000 0.449 321 Q N -0.550 119.376 119.800 0.209 0.000 2.050 321 Q HA -0.121 4.239 4.340 0.033 0.000 0.202 321 Q C 2.606 178.703 176.000 0.162 0.000 0.980 321 Q CA 1.580 57.497 55.803 0.190 0.000 0.840 321 Q CB -0.192 28.705 28.738 0.266 0.000 0.898 321 Q HN 0.191 nan 8.270 nan 0.000 0.424 322 K N 0.875 121.393 120.400 0.196 0.000 2.103 322 K HA -0.123 4.216 4.320 0.033 0.000 0.207 322 K C 1.875 178.666 176.600 0.317 0.000 1.048 322 K CA 1.094 57.483 56.287 0.170 0.000 0.930 322 K CB -0.221 32.363 32.500 0.141 0.000 0.716 322 K HN 0.192 nan 8.250 nan 0.000 0.444 323 R N -0.220 120.469 120.500 0.315 0.000 2.341 323 R HA -0.079 4.281 4.340 0.033 0.000 0.213 323 R C 1.929 178.302 176.300 0.122 0.000 1.082 323 R CA 0.378 56.594 56.100 0.193 0.000 1.017 323 R CB -0.363 29.957 30.300 0.033 0.000 0.860 323 R HN 0.117 nan 8.270 nan 0.000 0.473 324 F N 0.329 120.300 119.950 0.035 0.000 2.333 324 F HA -0.054 4.492 4.527 0.032 0.000 0.300 324 F C 1.932 177.729 175.800 -0.004 0.000 1.083 324 F CA 1.354 59.345 58.000 -0.014 0.000 1.395 324 F CB 0.024 38.997 39.000 -0.044 0.000 1.056 324 F HN -0.022 nan 8.300 nan 0.000 0.529 325 G N 0.042 108.972 108.800 0.217 0.000 3.233 325 G HA2 0.158 4.137 3.960 0.033 0.000 0.227 325 G HA3 0.158 4.137 3.960 0.033 0.000 0.227 325 G C 0.065 175.127 174.900 0.270 0.000 1.175 325 G CA -0.134 45.086 45.100 0.199 0.000 0.781 325 G HN 0.062 nan 8.290 nan 0.000 0.542 326 V N 1.026 120.966 119.914 0.042 0.000 2.584 326 V HA 0.337 4.477 4.120 0.033 0.000 0.303 326 V C 1.714 177.774 176.094 -0.057 0.000 1.035 326 V CA 1.844 64.027 62.300 -0.195 0.000 1.172 326 V CB 0.371 31.863 31.823 -0.551 0.000 0.896 326 V HN 0.778 nan 8.190 nan 0.000 0.486 327 G N 3.922 112.764 108.800 0.070 0.000 2.179 327 G HA2 -0.213 3.767 3.960 0.033 0.000 0.260 327 G HA3 -0.213 3.767 3.960 0.033 0.000 0.260 327 G C 0.026 174.961 174.900 0.059 0.000 0.977 327 G CA 0.283 45.411 45.100 0.046 0.000 0.641 327 G HN 0.862 nan 8.290 nan 0.000 0.533 328 D N -0.784 119.662 120.400 0.078 0.000 2.312 328 D HA 0.321 4.980 4.640 0.033 0.000 0.229 328 D C 1.181 177.457 176.300 -0.040 0.000 1.337 328 D CA -0.247 53.729 54.000 -0.040 0.000 0.964 328 D CB -0.308 40.419 40.800 -0.122 0.000 1.456 328 D HN 0.254 nan 8.370 nan 0.000 0.547 329 F N 1.743 121.719 119.950 0.044 0.000 2.250 329 F HA -0.093 4.456 4.527 0.038 0.000 0.301 329 F C 2.042 177.841 175.800 -0.001 0.000 1.077 329 F CA 1.429 59.431 58.000 0.002 0.000 1.348 329 F CB -1.145 37.834 39.000 -0.034 0.000 1.040 329 F HN 0.260 nan 8.300 nan 0.000 0.509 330 T N -1.894 112.280 114.554 -0.633 0.000 3.051 330 T HA -0.014 4.356 4.350 0.033 0.000 0.269 330 T C 1.605 176.210 174.700 -0.158 0.000 1.127 330 T CA 0.786 62.685 62.100 -0.335 0.000 1.107 330 T CB -0.513 68.102 68.868 -0.422 0.000 0.898 330 T HN 0.494 nan 8.240 nan 0.000 0.517 331 R N -0.109 120.330 120.500 -0.101 0.000 2.362 331 R HA 0.432 4.792 4.340 0.033 0.000 0.227 331 R C -0.025 176.313 176.300 0.064 0.000 0.905 331 R CA -0.210 55.904 56.100 0.023 0.000 1.067 331 R CB 0.206 30.564 30.300 0.097 0.000 1.078 331 R HN 0.432 nan 8.270 nan 0.000 0.516 332 I N 4.091 124.655 120.570 -0.010 0.000 2.436 332 I HA 0.101 4.291 4.170 0.033 0.000 0.289 332 I C -1.967 174.005 176.117 -0.243 0.000 1.083 332 I CA -2.135 59.131 61.300 -0.056 0.000 1.372 332 I CB 0.746 38.695 38.000 -0.084 0.000 1.408 332 I HN -0.237 nan 8.210 nan 0.000 0.516 333 P HA -0.013 nan 4.420 nan 0.000 0.264 333 P C -0.947 176.037 177.300 -0.526 0.000 1.193 333 P CA 0.146 62.787 63.100 -0.765 0.000 0.763 333 P CB 0.297 31.015 31.700 -1.636 0.000 0.810 334 N N 1.496 120.051 118.700 -0.242 0.000 2.444 334 N HA 0.503 5.262 4.740 0.033 0.000 0.271 334 N C 0.183 175.877 175.510 0.308 0.000 1.069 334 N CA -0.152 52.930 53.050 0.053 0.000 0.965 334 N CB 0.706 39.350 38.487 0.262 0.000 1.092 334 N HN 0.607 nan 8.380 nan 0.000 0.476 335 G N 0.549 109.505 108.800 0.260 0.000 2.343 335 G HA2 0.147 4.126 3.960 0.033 0.000 0.298 335 G HA3 0.147 4.126 3.960 0.033 0.000 0.298 335 G C -0.921 174.119 174.900 0.233 0.000 1.644 335 G CA -0.913 44.376 45.100 0.315 0.000 0.958 335 G HN 0.473 nan 8.290 nan 0.000 0.702 336 T N -1.017 113.615 114.554 0.130 0.000 2.906 336 T HA 0.885 5.254 4.350 0.033 0.000 0.295 336 T C 0.572 175.217 174.700 -0.091 0.000 1.075 336 T CA 0.027 62.167 62.100 0.067 0.000 1.005 336 T CB 2.088 71.013 68.868 0.095 0.000 1.136 336 T HN 1.813 nan 8.240 nan 0.000 0.498 337 G N -1.523 107.139 108.800 -0.230 0.000 2.462 337 G HA2 0.587 4.567 3.960 0.033 0.000 0.319 337 G HA3 0.587 4.567 3.960 0.033 0.000 0.319 337 G C 0.462 175.357 174.900 -0.009 0.000 1.171 337 G CA -0.551 44.184 45.100 -0.610 0.000 0.920 337 G HN 1.475 nan 8.290 nan 0.000 0.499 338 G N -0.572 108.391 108.800 0.272 0.000 3.988 338 G HA2 0.026 4.006 3.960 0.033 0.000 0.195 338 G HA3 0.026 4.006 3.960 0.033 0.000 0.195 338 G C 1.265 176.355 174.900 0.317 0.000 1.060 338 G CA -0.036 45.298 45.100 0.391 0.000 0.847 338 G HN 0.467 nan 8.290 nan 0.000 0.515 339 L N 0.575 122.062 121.223 0.441 0.000 2.013 339 L HA -0.103 4.257 4.340 0.033 0.000 0.212 339 L C 2.578 179.503 176.870 0.092 0.000 1.073 339 L CA 2.193 57.121 54.840 0.147 0.000 0.753 339 L CB -0.031 41.948 42.059 -0.134 0.000 0.890 339 L HN 0.372 nan 8.230 nan 0.000 0.432 340 E N -0.624 119.635 120.200 0.098 0.000 2.274 340 E HA -0.192 4.178 4.350 0.033 0.000 0.194 340 E C 0.935 177.569 176.600 0.057 0.000 0.996 340 E CA 0.918 57.359 56.400 0.068 0.000 0.840 340 E CB 0.234 29.972 29.700 0.063 0.000 0.772 340 E HN 0.494 nan 8.360 nan 0.000 0.491 341 D N -0.426 119.984 120.400 0.017 0.000 2.379 341 D HA -0.007 4.652 4.640 0.033 0.000 0.208 341 D C 1.572 177.772 176.300 -0.168 0.000 1.065 341 D CA -0.059 53.860 54.000 -0.135 0.000 0.848 341 D CB 0.078 40.660 40.800 -0.365 0.000 0.949 341 D HN 0.129 nan 8.370 nan 0.000 0.509 342 R N 0.798 121.274 120.500 -0.040 0.000 2.088 342 R HA -0.090 4.269 4.340 0.033 0.000 0.232 342 R C 2.137 178.499 176.300 0.104 0.000 1.136 342 R CA 1.310 57.410 56.100 -0.000 0.000 0.926 342 R CB -0.064 30.261 30.300 0.041 0.000 0.837 342 R HN 0.034 nan 8.270 nan 0.000 0.429 343 M N -0.297 119.416 119.600 0.189 0.000 2.132 343 M HA -0.066 4.434 4.480 0.033 0.000 0.263 343 M C -0.855 175.797 176.300 0.586 0.000 1.065 343 M CA 1.571 57.077 55.300 0.343 0.000 1.122 343 M CB -0.754 32.037 32.600 0.318 0.000 1.365 343 M HN 0.139 nan 8.290 nan 0.000 0.411 344 P HA -0.155 nan 4.420 nan 0.000 0.215 344 P C 1.630 179.178 177.300 0.414 0.000 1.157 344 P CA 1.261 64.678 63.100 0.529 0.000 0.868 344 P CB -0.108 31.731 31.700 0.232 0.000 0.788 345 M N -1.791 117.963 119.600 0.257 0.000 2.086 345 M HA -0.104 4.396 4.480 0.033 0.000 0.261 345 M C 2.123 178.708 176.300 0.474 0.000 1.067 345 M CA 1.491 56.984 55.300 0.321 0.000 1.116 345 M CB -1.725 30.888 32.600 0.022 0.000 1.348 345 M HN -0.013 nan 8.290 nan 0.000 0.407 346 L N -0.221 121.259 121.223 0.428 0.000 2.083 346 L HA -0.188 4.172 4.340 0.033 0.000 0.209 346 L C 2.276 179.477 176.870 0.552 0.000 1.083 346 L CA 1.703 56.848 54.840 0.509 0.000 0.752 346 L CB -0.755 41.542 42.059 0.396 0.000 0.899 346 L HN 0.433 nan 8.230 nan 0.000 0.433 347 W N -0.156 121.333 121.300 0.314 0.000 2.378 347 W HA -0.214 4.466 4.660 0.034 0.000 0.313 347 W C 2.040 178.532 176.519 -0.044 0.000 1.197 347 W CA 2.031 59.323 57.345 -0.089 0.000 1.304 347 W CB -0.530 28.811 29.460 -0.197 0.000 1.148 347 W HN 0.133 nan 8.180 nan 0.000 0.494 348 T N 0.288 114.971 114.554 0.215 0.000 2.777 348 T HA -0.233 4.137 4.350 0.033 0.000 0.266 348 T C 1.333 175.731 174.700 -0.503 0.000 1.040 348 T CA 1.861 63.846 62.100 -0.192 0.000 1.141 348 T CB -0.585 68.053 68.868 -0.382 0.000 0.868 348 T HN 0.118 nan 8.240 nan 0.000 0.444 349 Y N 0.166 120.535 120.300 0.114 0.000 2.500 349 Y HA 0.364 4.937 4.550 0.038 0.000 0.270 349 Y C 2.303 178.072 175.900 -0.219 0.000 1.134 349 Y CA -0.031 58.074 58.100 0.008 0.000 1.293 349 Y CB -0.087 38.467 38.460 0.155 0.000 1.063 349 Y HN 0.242 nan 8.280 nan 0.000 0.534 350 G N -1.293 107.533 108.800 0.043 0.000 2.853 350 G HA2 0.000 3.980 3.960 0.033 0.000 0.202 350 G HA3 0.000 3.980 3.960 0.033 0.000 0.202 350 G C 1.407 176.197 174.900 -0.184 0.000 1.118 350 G CA 0.541 45.639 45.100 -0.003 0.000 0.831 350 G HN 0.109 nan 8.290 nan 0.000 0.613 351 V N 1.695 121.387 119.914 -0.371 0.000 2.379 351 V HA 0.087 4.227 4.120 0.033 0.000 0.243 351 V C 3.239 178.946 176.094 -0.646 0.000 1.035 351 V CA 1.920 63.799 62.300 -0.702 0.000 1.035 351 V CB -0.410 30.506 31.823 -1.511 0.000 0.673 351 V HN 0.398 nan 8.190 nan 0.000 0.457 352 A N 0.834 123.270 122.820 -0.640 0.000 2.015 352 A HA -0.184 4.156 4.320 0.033 0.000 0.219 352 A C 2.333 179.754 177.584 -0.271 0.000 1.163 352 A CA 2.196 53.994 52.037 -0.398 0.000 0.646 352 A CB -0.797 18.040 19.000 -0.271 0.000 0.806 352 A HN 0.634 nan 8.150 nan 0.000 0.448 353 T N -4.379 110.009 114.554 -0.277 0.000 3.088 353 T HA 0.363 4.733 4.350 0.033 0.000 0.259 353 T C 1.497 176.076 174.700 -0.202 0.000 1.122 353 T CA 1.103 63.072 62.100 -0.219 0.000 1.095 353 T CB -0.046 68.676 68.868 -0.243 0.000 0.930 353 T HN 1.629 nan 8.240 nan 0.000 0.508 354 G N 1.839 110.505 108.800 -0.223 0.000 2.179 354 G HA2 -0.322 3.657 3.960 0.033 0.000 0.260 354 G HA3 -0.322 3.657 3.960 0.033 0.000 0.260 354 G C 1.040 175.849 174.900 -0.152 0.000 0.977 354 G CA 0.316 45.311 45.100 -0.175 0.000 0.641 354 G HN 0.535 nan 8.290 nan 0.000 0.533 355 R N -0.035 120.350 120.500 -0.191 0.000 2.115 355 R HA 0.169 4.529 4.340 0.033 0.000 0.230 355 R C 1.532 177.822 176.300 -0.016 0.000 1.111 355 R CA 1.626 57.635 56.100 -0.151 0.000 0.976 355 R CB -0.168 29.912 30.300 -0.366 0.000 0.870 355 R HN 0.793 nan 8.270 nan 0.000 0.445 356 I N -2.773 117.786 120.570 -0.019 0.000 2.769 356 I HA 0.350 4.540 4.170 0.033 0.000 0.298 356 I C 0.021 176.096 176.117 -0.070 0.000 1.128 356 I CA -1.257 60.056 61.300 0.022 0.000 1.031 356 I CB 2.168 40.249 38.000 0.135 0.000 1.235 356 I HN -0.160 nan 8.210 nan 0.000 0.423 357 T N 0.785 115.308 114.554 -0.053 0.000 2.766 357 T HA 0.306 4.676 4.350 0.033 0.000 0.295 357 T C 1.018 175.650 174.700 -0.113 0.000 1.024 357 T CA -0.511 61.530 62.100 -0.099 0.000 1.018 357 T CB 1.103 69.939 68.868 -0.054 0.000 1.002 357 T HN 0.763 nan 8.240 nan 0.000 0.532 358 M N 1.198 120.686 119.600 -0.186 0.000 2.159 358 M HA -0.098 4.402 4.480 0.033 0.000 0.263 358 M C 2.106 178.432 176.300 0.043 0.000 1.063 358 M CA 1.905 57.109 55.300 -0.159 0.000 1.110 358 M CB -0.847 31.599 32.600 -0.256 0.000 1.374 358 M HN 0.706 nan 8.290 nan 0.000 0.411 359 N N 0.351 119.064 118.700 0.022 0.000 2.120 359 N HA -0.150 4.610 4.740 0.033 0.000 0.188 359 N C 1.473 177.015 175.510 0.053 0.000 1.024 359 N CA 1.236 54.317 53.050 0.052 0.000 0.852 359 N CB -0.154 38.355 38.487 0.037 0.000 1.003 359 N HN 0.407 nan 8.380 nan 0.000 0.424 360 E N 0.038 120.264 120.200 0.043 0.000 2.110 360 E HA -0.174 4.196 4.350 0.033 0.000 0.193 360 E C 1.489 178.123 176.600 0.058 0.000 0.988 360 E CA 0.661 57.084 56.400 0.038 0.000 0.804 360 E CB -0.169 29.554 29.700 0.039 0.000 0.745 360 E HN 0.359 nan 8.360 nan 0.000 0.458 361 F N 1.164 121.081 119.950 -0.056 0.000 2.095 361 F HA -0.249 4.296 4.527 0.031 0.000 0.298 361 F C 2.056 177.834 175.800 -0.037 0.000 1.104 361 F CA 1.192 59.163 58.000 -0.049 0.000 1.232 361 F CB -0.212 38.737 39.000 -0.083 0.000 0.987 361 F HN -0.198 nan 8.300 nan 0.000 0.475 362 V N 0.686 120.652 119.914 0.085 0.000 2.343 362 V HA -0.306 3.834 4.120 0.033 0.000 0.247 362 V C 2.787 178.820 176.094 -0.101 0.000 1.051 362 V CA 1.733 64.013 62.300 -0.033 0.000 1.036 362 V CB -1.608 30.265 31.823 0.082 0.000 0.654 362 V HN 0.518 nan 8.190 nan 0.000 0.451 363 A N 0.617 123.400 122.820 -0.061 0.000 1.892 363 A HA -0.201 4.139 4.320 0.033 0.000 0.218 363 A C 2.296 179.811 177.584 -0.115 0.000 1.188 363 A CA 2.608 54.598 52.037 -0.078 0.000 0.631 363 A CB -0.799 18.169 19.000 -0.053 0.000 0.822 363 A HN 0.819 nan 8.150 nan 0.000 0.447 364 V N -2.596 117.232 119.914 -0.143 0.000 3.541 364 V HA 0.052 4.192 4.120 0.033 0.000 0.267 364 V C 1.682 177.649 176.094 -0.212 0.000 1.213 364 V CA 1.850 64.059 62.300 -0.152 0.000 1.149 364 V CB -0.885 30.861 31.823 -0.127 0.000 0.822 364 V HN 0.676 nan 8.190 nan 0.000 0.462 365 T N -2.657 111.712 114.554 -0.309 0.000 3.001 365 T HA 0.259 4.628 4.350 0.033 0.000 0.251 365 T C 1.385 175.971 174.700 -0.191 0.000 1.040 365 T CA 0.900 62.804 62.100 -0.327 0.000 0.985 365 T CB 0.343 68.824 68.868 -0.645 0.000 1.011 365 T HN 0.791 nan 8.240 nan 0.000 0.509 366 S N -0.212 115.402 115.700 -0.144 0.000 3.718 366 S HA 0.074 4.564 4.470 0.033 0.000 0.238 366 S C 1.746 176.319 174.600 -0.045 0.000 1.136 366 S CA 0.528 58.685 58.200 -0.072 0.000 0.950 366 S CB -0.447 62.730 63.200 -0.039 0.000 1.096 366 S HN 0.205 nan 8.310 nan 0.000 0.467 367 T N 3.507 118.033 114.554 -0.046 0.000 2.746 367 T HA 0.011 4.380 4.350 0.033 0.000 0.267 367 T C 1.617 176.235 174.700 -0.137 0.000 1.039 367 T CA 1.805 63.869 62.100 -0.060 0.000 1.142 367 T CB -0.593 68.218 68.868 -0.095 0.000 0.866 367 T HN 0.397 nan 8.240 nan 0.000 0.444 368 N N 1.112 119.734 118.700 -0.130 0.000 2.120 368 N HA -0.020 4.740 4.740 0.033 0.000 0.188 368 N C 1.756 177.176 175.510 -0.150 0.000 1.024 368 N CA 0.693 53.656 53.050 -0.145 0.000 0.852 368 N CB -0.486 37.933 38.487 -0.114 0.000 1.003 368 N HN 0.270 nan 8.380 nan 0.000 0.424 369 I N 1.100 121.606 120.570 -0.105 0.000 2.353 369 I HA -0.064 4.126 4.170 0.033 0.000 0.248 369 I C 1.927 177.980 176.117 -0.106 0.000 1.119 369 I CA 0.599 61.842 61.300 -0.095 0.000 1.417 369 I CB -0.579 37.395 38.000 -0.043 0.000 1.078 369 I HN 0.082 nan 8.210 nan 0.000 0.421 370 A N 0.237 123.018 122.820 -0.065 0.000 1.908 370 A HA -0.251 4.089 4.320 0.033 0.000 0.218 370 A C 2.361 179.934 177.584 -0.019 0.000 1.181 370 A CA 1.961 53.989 52.037 -0.015 0.000 0.627 370 A CB -0.604 18.460 19.000 0.107 0.000 0.818 370 A HN 0.463 nan 8.150 nan 0.000 0.445 371 K N -0.641 119.712 120.400 -0.078 0.000 2.103 371 K HA 0.048 4.388 4.320 0.033 0.000 0.204 371 K C 1.770 178.296 176.600 -0.123 0.000 1.052 371 K CA 1.286 57.515 56.287 -0.097 0.000 0.945 371 K CB -0.291 32.093 32.500 -0.194 0.000 0.722 371 K HN 0.520 nan 8.250 nan 0.000 0.443 372 I N 1.087 121.527 120.570 -0.216 0.000 2.286 372 I HA -0.249 3.941 4.170 0.033 0.000 0.248 372 I C 1.739 177.734 176.117 -0.203 0.000 1.115 372 I CA 1.224 62.330 61.300 -0.324 0.000 1.392 372 I CB -0.056 37.620 38.000 -0.540 0.000 1.065 372 I HN 0.108 nan 8.210 nan 0.000 0.418 373 L N 0.196 121.318 121.223 -0.168 0.000 2.592 373 L HA 0.108 4.468 4.340 0.033 0.000 0.227 373 L C 0.554 177.354 176.870 -0.118 0.000 1.127 373 L CA 0.035 54.781 54.840 -0.156 0.000 0.884 373 L CB -0.404 41.546 42.059 -0.182 0.000 1.065 373 L HN 0.356 nan 8.230 nan 0.000 0.457 374 N N 1.017 119.671 118.700 -0.077 0.000 2.776 374 N HA -0.215 4.545 4.740 0.033 0.000 0.249 374 N C 0.326 175.813 175.510 -0.038 0.000 1.111 374 N CA 0.915 53.944 53.050 -0.036 0.000 0.711 374 N CB -1.132 37.337 38.487 -0.030 0.000 1.065 374 N HN 0.607 nan 8.380 nan 0.000 0.556 375 I N -3.970 116.575 120.570 -0.041 0.000 3.833 375 I HA 0.302 4.492 4.170 0.033 0.000 0.328 375 I C 0.018 176.130 176.117 -0.009 0.000 1.554 375 I CA -0.781 60.482 61.300 -0.062 0.000 1.116 375 I CB -0.084 37.838 38.000 -0.130 0.000 1.182 375 I HN 0.084 nan 8.210 nan 0.000 0.459 376 Y N 4.599 124.853 120.300 -0.078 0.000 2.323 376 Y HA 0.579 5.149 4.550 0.033 0.000 0.331 376 Y C -1.697 174.176 175.900 -0.044 0.000 1.092 376 Y CA -1.710 56.355 58.100 -0.059 0.000 1.150 376 Y CB 1.415 39.845 38.460 -0.050 0.000 1.200 376 Y HN 0.056 nan 8.280 nan 0.000 0.472 377 P HA 0.138 nan 4.420 nan 0.000 0.269 377 P C 0.548 177.587 177.300 -0.434 0.000 1.478 377 P CA 0.074 62.579 63.100 -0.992 0.000 1.045 377 P CB 0.415 31.537 31.700 -0.963 0.000 1.512 378 K N 0.946 121.196 120.400 -0.250 0.000 2.044 378 K HA -0.102 4.238 4.320 0.033 0.000 0.210 378 K C 0.518 177.026 176.600 -0.153 0.000 1.049 378 K CA 1.148 57.331 56.287 -0.173 0.000 0.927 378 K CB 0.151 32.565 32.500 -0.143 0.000 0.713 378 K HN 0.003 nan 8.250 nan 0.000 0.443 379 K N -1.271 119.051 120.400 -0.131 0.000 2.221 379 K HA 0.263 4.603 4.320 0.033 0.000 0.243 379 K C 0.318 176.917 176.600 -0.001 0.000 0.968 379 K CA 0.035 56.277 56.287 -0.076 0.000 0.846 379 K CB 1.501 33.953 32.500 -0.080 0.000 1.141 379 K HN 0.368 nan 8.250 nan 0.000 0.434 380 G N -0.219 108.605 108.800 0.040 0.000 2.148 380 G HA2 -0.218 3.761 3.960 0.033 0.000 0.254 380 G HA3 -0.218 3.761 3.960 0.033 0.000 0.254 380 G C -0.006 175.029 174.900 0.225 0.000 0.981 380 G CA 0.460 45.642 45.100 0.137 0.000 0.670 380 G HN 0.824 nan 8.290 nan 0.000 0.528 381 A N -0.642 122.220 122.820 0.070 0.000 2.413 381 A HA 0.859 5.198 4.320 0.033 0.000 0.307 381 A C -0.312 177.293 177.584 0.035 0.000 1.087 381 A CA -0.713 51.358 52.037 0.057 0.000 0.750 381 A CB 1.262 20.089 19.000 -0.287 0.000 1.296 381 A HN 0.688 nan 8.150 nan 0.000 0.423 382 I N 2.328 122.943 120.570 0.076 0.000 2.460 382 I HA 0.384 4.574 4.170 0.033 0.000 0.277 382 I C -1.133 175.027 176.117 0.071 0.000 1.057 382 I CA 0.168 61.504 61.300 0.060 0.000 1.179 382 I CB 0.233 38.277 38.000 0.072 0.000 1.329 382 I HN 0.429 nan 8.210 nan 0.000 0.478 383 L N 5.060 126.292 121.223 0.016 0.000 2.465 383 L HA 0.488 4.848 4.340 0.033 0.000 0.257 383 L C -0.330 176.534 176.870 -0.011 0.000 0.988 383 L CA -1.148 53.699 54.840 0.011 0.000 0.827 383 L CB 2.716 44.750 42.059 -0.041 0.000 1.397 383 L HN 0.008 nan 8.230 nan 0.000 0.410 384 V N 1.925 121.839 119.914 0.000 0.000 2.617 384 V HA 0.192 4.331 4.120 0.033 0.000 0.304 384 V C 1.223 177.297 176.094 -0.034 0.000 1.040 384 V CA 1.931 64.225 62.300 -0.011 0.000 1.149 384 V CB 0.361 32.182 31.823 -0.003 0.000 0.914 384 V HN 1.124 nan 8.190 nan 0.000 0.487 385 G N 3.554 112.332 108.800 -0.037 0.000 2.234 385 G HA2 -0.131 3.849 3.960 0.033 0.000 0.235 385 G HA3 -0.131 3.849 3.960 0.033 0.000 0.235 385 G C 0.510 175.368 174.900 -0.069 0.000 0.997 385 G CA 0.171 45.241 45.100 -0.050 0.000 0.623 385 G HN 1.555 nan 8.290 nan 0.000 0.514 386 A N 0.534 123.306 122.820 -0.081 0.000 2.466 386 A HA 0.495 4.835 4.320 0.033 0.000 0.238 386 A C 0.364 177.905 177.584 -0.072 0.000 1.074 386 A CA 0.493 52.468 52.037 -0.102 0.000 0.774 386 A CB 0.154 19.084 19.000 -0.117 0.000 1.015 386 A HN 0.326 nan 8.150 nan 0.000 0.498 387 D N 0.752 121.107 120.400 -0.076 0.000 2.472 387 D HA 0.311 4.971 4.640 0.033 0.000 0.237 387 D C 0.605 176.886 176.300 -0.032 0.000 1.141 387 D CA 1.151 55.120 54.000 -0.052 0.000 0.875 387 D CB 0.714 41.479 40.800 -0.060 0.000 1.192 387 D HN 0.598 nan 8.370 nan 0.000 0.450 388 A N 2.529 125.340 122.820 -0.015 0.000 3.074 388 A HA 0.091 4.430 4.320 0.033 0.000 0.251 388 A C -0.360 177.231 177.584 0.011 0.000 1.695 388 A CA -0.389 51.645 52.037 -0.005 0.000 1.343 388 A CB -0.351 18.644 19.000 -0.009 0.000 1.078 388 A HN 0.232 nan 8.150 nan 0.000 0.644 389 D N 0.987 121.393 120.400 0.011 0.000 2.396 389 D HA 0.571 5.231 4.640 0.033 0.000 0.225 389 D C -0.420 175.902 176.300 0.037 0.000 1.121 389 D CA 0.544 54.560 54.000 0.027 0.000 0.853 389 D CB 0.866 41.675 40.800 0.013 0.000 1.043 389 D HN 0.364 nan 8.370 nan 0.000 0.500 390 L N 1.372 122.626 121.223 0.052 0.000 2.434 390 L HA 0.556 4.916 4.340 0.033 0.000 0.260 390 L C -0.878 176.057 176.870 0.108 0.000 0.983 390 L CA -1.160 53.722 54.840 0.069 0.000 0.820 390 L CB 2.682 44.769 42.059 0.047 0.000 1.361 390 L HN -0.001 nan 8.230 nan 0.000 0.410 391 V N 2.951 122.952 119.914 0.145 0.000 2.540 391 V HA 0.545 4.685 4.120 0.033 0.000 0.302 391 V C -0.782 175.447 176.094 0.226 0.000 1.035 391 V CA -0.470 61.955 62.300 0.210 0.000 0.873 391 V CB 2.280 34.280 31.823 0.295 0.000 0.992 391 V HN 0.421 nan 8.190 nan 0.000 0.428 392 V N 7.212 127.267 119.914 0.236 0.000 2.348 392 V HA 0.325 4.464 4.120 0.033 0.000 0.270 392 V C -0.263 175.930 176.094 0.164 0.000 1.037 392 V CA -0.501 61.933 62.300 0.223 0.000 0.872 392 V CB 1.231 33.254 31.823 0.334 0.000 1.002 392 V HN 0.875 nan 8.190 nan 0.000 0.464 393 W N 5.306 126.557 121.300 -0.083 0.000 2.314 393 W HA 0.342 5.021 4.660 0.031 0.000 0.310 393 W C -0.527 175.840 176.519 -0.253 0.000 1.075 393 W CA -0.494 56.714 57.345 -0.228 0.000 1.253 393 W CB 1.608 30.841 29.460 -0.378 0.000 1.238 393 W HN 0.548 nan 8.180 nan 0.000 0.440 394 D N 8.547 128.655 120.400 -0.487 0.000 2.396 394 D HA 0.146 4.805 4.640 0.033 0.000 0.225 394 D C -1.301 174.782 176.300 -0.362 0.000 1.121 394 D CA -2.276 51.519 54.000 -0.342 0.000 0.853 394 D CB 1.699 42.297 40.800 -0.337 0.000 1.043 394 D HN 0.154 nan 8.370 nan 0.000 0.500 395 P HA -0.053 nan 4.420 nan 0.000 0.234 395 P C 0.521 177.863 177.300 0.069 0.000 1.167 395 P CA 0.649 63.825 63.100 0.126 0.000 0.763 395 P CB 0.471 32.465 31.700 0.491 0.000 0.835 396 K N -0.824 119.551 120.400 -0.041 0.000 2.360 396 K HA 0.107 4.447 4.320 0.033 0.000 0.196 396 K C 1.154 177.699 176.600 -0.093 0.000 1.049 396 K CA -0.292 55.973 56.287 -0.038 0.000 1.049 396 K CB 0.441 32.921 32.500 -0.033 0.000 0.881 396 K HN 0.002 nan 8.250 nan 0.000 0.542 397 R N 2.356 122.750 120.500 -0.178 0.000 2.316 397 R HA 0.053 4.412 4.340 0.033 0.000 0.314 397 R C -0.613 175.579 176.300 -0.180 0.000 1.069 397 R CA 0.132 56.110 56.100 -0.204 0.000 0.959 397 R CB 0.525 30.646 30.300 -0.298 0.000 0.987 397 R HN 0.011 nan 8.270 nan 0.000 0.446 398 S N 3.505 119.135 115.700 -0.117 0.000 2.599 398 S HA 0.692 5.181 4.470 0.033 0.000 0.294 398 S C -1.180 173.386 174.600 -0.056 0.000 1.094 398 S CA -0.951 57.205 58.200 -0.073 0.000 0.931 398 S CB 2.131 65.310 63.200 -0.034 0.000 1.093 398 S HN 0.766 nan 8.310 nan 0.000 0.488 399 K N -0.073 120.311 120.400 -0.026 0.000 2.579 399 K HA 0.559 4.898 4.320 0.033 0.000 0.284 399 K C -1.546 175.074 176.600 0.033 0.000 0.990 399 K CA -0.825 55.459 56.287 -0.006 0.000 0.880 399 K CB 1.235 33.722 32.500 -0.022 0.000 1.488 399 K HN 0.485 nan 8.250 nan 0.000 0.425 400 T N 2.009 116.590 114.554 0.044 0.000 2.767 400 T HA 0.355 4.725 4.350 0.033 0.000 0.288 400 T C 0.287 175.035 174.700 0.079 0.000 0.963 400 T CA -0.600 61.544 62.100 0.074 0.000 1.019 400 T CB 0.188 69.098 68.868 0.070 0.000 0.923 400 T HN 0.370 nan 8.240 nan 0.000 0.468 401 I N 3.065 123.701 120.570 0.110 0.000 2.618 401 I HA 0.211 4.401 4.170 0.033 0.000 0.284 401 I C 0.754 176.943 176.117 0.121 0.000 1.146 401 I CA 0.473 61.845 61.300 0.120 0.000 1.425 401 I CB 0.633 38.736 38.000 0.172 0.000 1.383 401 I HN 0.495 nan 8.210 nan 0.000 0.562 402 S N 3.903 119.664 115.700 0.101 0.000 2.536 402 S HA 0.564 5.054 4.470 0.033 0.000 0.271 402 S C 0.542 175.194 174.600 0.087 0.000 1.134 402 S CA -0.167 58.090 58.200 0.095 0.000 0.897 402 S CB 1.742 64.987 63.200 0.074 0.000 1.094 402 S HN 0.678 nan 8.310 nan 0.000 0.473 403 A N 3.113 125.988 122.820 0.092 0.000 2.070 403 A HA -0.049 4.291 4.320 0.033 0.000 0.220 403 A C 2.088 179.706 177.584 0.057 0.000 1.159 403 A CA 1.955 54.036 52.037 0.073 0.000 0.656 403 A CB -0.794 18.260 19.000 0.090 0.000 0.800 403 A HN 1.217 nan 8.150 nan 0.000 0.453 404 K N -0.464 119.971 120.400 0.058 0.000 2.211 404 K HA -0.078 4.262 4.320 0.033 0.000 0.203 404 K C 1.339 177.959 176.600 0.034 0.000 1.050 404 K CA 1.890 58.204 56.287 0.045 0.000 0.945 404 K CB -1.635 30.892 32.500 0.045 0.000 0.732 404 K HN 0.862 nan 8.250 nan 0.000 0.451 405 T N -1.605 112.969 114.554 0.035 0.000 3.132 405 T HA 0.154 4.524 4.350 0.033 0.000 0.274 405 T C 0.563 175.277 174.700 0.023 0.000 1.011 405 T CA -0.471 61.643 62.100 0.023 0.000 0.899 405 T CB -0.229 68.650 68.868 0.017 0.000 1.089 405 T HN 0.737 nan 8.240 nan 0.000 0.543 406 Q N 0.454 120.273 119.800 0.031 0.000 2.317 406 Q HA 0.400 4.759 4.340 0.033 0.000 0.229 406 Q C 0.533 176.546 176.000 0.022 0.000 0.984 406 Q CA -0.907 54.916 55.803 0.032 0.000 0.911 406 Q CB 0.952 29.718 28.738 0.047 0.000 1.217 406 Q HN -0.081 nan 8.270 nan 0.000 0.501 407 Q N 0.532 120.345 119.800 0.022 0.000 2.212 407 Q HA 0.038 4.397 4.340 0.033 0.000 0.199 407 Q C 0.605 176.613 176.000 0.014 0.000 0.950 407 Q CA 0.536 56.347 55.803 0.013 0.000 0.863 407 Q CB -0.013 28.729 28.738 0.007 0.000 0.944 407 Q HN 0.718 nan 8.270 nan 0.000 0.465 408 S N 0.260 115.977 115.700 0.028 0.000 2.558 408 S HA 0.140 4.629 4.470 0.033 0.000 0.291 408 S C 1.045 175.647 174.600 0.003 0.000 1.306 408 S CA 0.298 58.517 58.200 0.032 0.000 1.056 408 S CB 0.758 63.994 63.200 0.060 0.000 0.836 408 S HN 0.340 nan 8.310 nan 0.000 0.504 409 A N 4.746 127.566 122.820 -0.001 0.000 2.206 409 A HA 0.203 4.543 4.320 0.033 0.000 0.211 409 A C 1.015 178.585 177.584 -0.022 0.000 1.158 409 A CA 0.377 52.410 52.037 -0.006 0.000 0.761 409 A CB -0.809 18.191 19.000 -0.000 0.000 0.801 409 A HN 0.898 nan 8.150 nan 0.000 0.473 410 I N -3.019 117.510 120.570 -0.068 0.000 3.110 410 I HA 0.270 4.460 4.170 0.033 0.000 0.314 410 I C 0.613 176.664 176.117 -0.110 0.000 1.020 410 I CA -0.336 60.894 61.300 -0.117 0.000 1.169 410 I CB 0.619 38.458 38.000 -0.269 0.000 1.437 410 I HN 0.187 nan 8.210 nan 0.000 0.595 411 D N 0.375 120.742 120.400 -0.055 0.000 2.349 411 D HA 0.050 4.710 4.640 0.033 0.000 0.214 411 D C -0.100 176.283 176.300 0.138 0.000 1.063 411 D CA 0.125 54.164 54.000 0.066 0.000 0.847 411 D CB -0.068 40.825 40.800 0.155 0.000 0.933 411 D HN 0.749 nan 8.370 nan 0.000 0.513 412 Y N -1.513 118.817 120.300 0.049 0.000 2.715 412 Y HA 0.636 5.205 4.550 0.032 0.000 0.331 412 Y C -1.226 174.700 175.900 0.042 0.000 1.197 412 Y CA -1.582 56.540 58.100 0.038 0.000 1.079 412 Y CB 0.973 39.442 38.460 0.015 0.000 1.298 412 Y HN -0.229 nan 8.280 nan 0.000 0.477 413 N N 0.379 119.206 118.700 0.211 0.000 2.425 413 N HA 0.221 4.981 4.740 0.033 0.000 0.289 413 N C 0.002 175.620 175.510 0.180 0.000 1.074 413 N CA -0.314 52.820 53.050 0.141 0.000 0.905 413 N CB 2.650 41.225 38.487 0.147 0.000 1.586 413 N HN 0.926 nan 8.380 nan 0.000 0.490 414 V N 1.242 121.206 119.914 0.084 0.000 3.141 414 V HA 0.161 4.300 4.120 0.033 0.000 0.265 414 V C 0.915 176.828 176.094 -0.303 0.000 1.126 414 V CA 1.079 63.307 62.300 -0.120 0.000 1.141 414 V CB -1.066 30.657 31.823 -0.168 0.000 0.743 414 V HN 0.453 nan 8.190 nan 0.000 0.492 415 F N 0.804 120.808 119.950 0.091 0.000 2.692 415 F HA 0.446 4.992 4.527 0.031 0.000 0.303 415 F C 1.111 176.961 175.800 0.084 0.000 1.114 415 F CA -0.764 57.281 58.000 0.075 0.000 1.361 415 F CB -0.399 38.651 39.000 0.084 0.000 1.063 415 F HN 0.177 nan 8.300 nan 0.000 0.550 416 E N 0.714 121.026 120.200 0.186 0.000 2.608 416 E HA 0.243 4.612 4.350 0.033 0.000 0.259 416 E C 1.382 178.071 176.600 0.148 0.000 0.951 416 E CA 1.114 57.609 56.400 0.159 0.000 0.945 416 E CB 0.112 29.891 29.700 0.131 0.000 0.916 416 E HN 0.472 nan 8.360 nan 0.000 0.477 417 G N 3.952 112.836 108.800 0.140 0.000 2.205 417 G HA2 -0.268 3.712 3.960 0.033 0.000 0.261 417 G HA3 -0.268 3.712 3.960 0.033 0.000 0.261 417 G C -0.126 174.858 174.900 0.140 0.000 0.980 417 G CA 0.347 45.520 45.100 0.123 0.000 0.632 417 G HN 0.477 nan 8.290 nan 0.000 0.533 418 K N 2.157 122.665 120.400 0.180 0.000 2.322 418 K HA 0.407 4.747 4.320 0.033 0.000 0.283 418 K C 0.784 177.516 176.600 0.219 0.000 1.042 418 K CA 0.543 56.959 56.287 0.215 0.000 0.958 418 K CB 0.926 33.592 32.500 0.276 0.000 0.984 418 K HN 0.531 nan 8.250 nan 0.000 0.473 419 T N -1.187 113.510 114.554 0.238 0.000 2.856 419 T HA 0.456 4.825 4.350 0.033 0.000 0.292 419 T C 0.333 175.153 174.700 0.200 0.000 0.980 419 T CA -0.912 61.297 62.100 0.182 0.000 1.091 419 T CB 0.841 69.792 68.868 0.138 0.000 0.936 419 T HN 0.317 nan 8.240 nan 0.000 0.503 420 V N -0.030 119.957 119.914 0.123 0.000 2.735 420 V HA 0.860 5.000 4.120 0.033 0.000 0.310 420 V C -0.497 175.622 176.094 0.042 0.000 1.061 420 V CA -0.768 61.588 62.300 0.094 0.000 0.913 420 V CB 1.940 33.843 31.823 0.132 0.000 1.005 420 V HN 0.995 nan 8.190 nan 0.000 0.428 421 T N 2.849 117.435 114.554 0.054 0.000 2.906 421 T HA 0.820 5.190 4.350 0.033 0.000 0.302 421 T C 0.063 174.840 174.700 0.128 0.000 1.002 421 T CA 0.091 62.217 62.100 0.044 0.000 0.988 421 T CB 0.704 69.599 68.868 0.045 0.000 0.972 421 T HN 2.065 nan 8.240 nan 0.000 0.447 422 G N 2.997 111.750 108.800 -0.079 0.000 3.306 422 G HA2 0.154 4.133 3.960 0.033 0.000 0.672 422 G HA3 0.154 4.133 3.960 0.033 0.000 0.672 422 G C -1.372 173.015 174.900 -0.854 0.000 1.212 422 G CA -1.043 43.847 45.100 -0.350 0.000 1.150 422 G HN 0.747 nan 8.290 nan 0.000 0.509 423 L N 2.562 122.920 121.223 -1.441 0.000 2.469 423 L HA 0.577 4.936 4.340 0.033 0.000 0.256 423 L C -2.410 173.601 176.870 -1.432 0.000 1.006 423 L CA -2.485 51.519 54.840 -1.392 0.000 0.832 423 L CB 3.169 44.847 42.059 -0.635 0.000 1.421 423 L HN 0.270 nan 8.230 nan 0.000 0.410 424 P HA 0.077 nan 4.420 nan 0.000 0.263 424 P C -0.250 176.793 177.300 -0.429 0.000 1.195 424 P CA 0.145 62.951 63.100 -0.491 0.000 0.762 424 P CB 0.696 32.279 31.700 -0.195 0.000 0.799 425 R N 3.182 123.444 120.500 -0.395 0.000 2.080 425 R HA 0.117 4.477 4.340 0.033 0.000 0.222 425 R C -0.098 175.756 176.300 -0.742 0.000 1.107 425 R CA 1.057 56.821 56.100 -0.560 0.000 0.980 425 R CB 0.138 30.102 30.300 -0.559 0.000 0.879 425 R HN 0.376 nan 8.270 nan 0.000 0.439 426 F N -0.987 118.920 119.950 -0.072 0.000 2.588 426 F HA 0.383 4.930 4.527 0.033 0.000 0.310 426 F C -0.726 175.068 175.800 -0.010 0.000 1.082 426 F CA -1.003 56.972 58.000 -0.041 0.000 0.929 426 F CB 2.608 41.589 39.000 -0.030 0.000 1.254 426 F HN -0.286 nan 8.300 nan 0.000 0.455 427 T N 3.370 118.043 114.554 0.198 0.000 2.841 427 T HA 0.675 5.044 4.350 0.033 0.000 0.285 427 T C -1.084 173.678 174.700 0.104 0.000 0.991 427 T CA -0.542 61.641 62.100 0.138 0.000 0.966 427 T CB 1.347 70.274 68.868 0.098 0.000 0.962 427 T HN 0.192 nan 8.240 nan 0.000 0.438 428 L N 2.514 123.785 121.223 0.080 0.000 2.329 428 L HA 0.689 5.049 4.340 0.033 0.000 0.279 428 L C 0.519 177.416 176.870 0.046 0.000 1.014 428 L CA -0.440 54.421 54.840 0.036 0.000 0.814 428 L CB 1.962 44.026 42.059 0.009 0.000 1.257 428 L HN 0.657 nan 8.230 nan 0.000 0.424 429 T N 3.097 117.676 114.554 0.042 0.000 2.791 429 T HA 0.399 4.768 4.350 0.033 0.000 0.288 429 T C 0.338 175.148 174.700 0.184 0.000 0.999 429 T CA -0.478 61.691 62.100 0.115 0.000 0.952 429 T CB 0.038 69.014 68.868 0.179 0.000 0.938 429 T HN 0.604 nan 8.240 nan 0.000 0.444 430 R N 3.449 124.028 120.500 0.131 0.000 3.184 430 R HA -0.258 4.102 4.340 0.033 0.000 0.242 430 R C 1.278 177.624 176.300 0.077 0.000 0.907 430 R CA 0.975 57.135 56.100 0.100 0.000 0.618 430 R CB -1.728 28.637 30.300 0.109 0.000 1.016 430 R HN 1.351 nan 8.270 nan 0.000 0.469 431 G N -1.507 107.309 108.800 0.026 0.000 2.205 431 G HA2 -0.338 3.641 3.960 0.033 0.000 0.261 431 G HA3 -0.338 3.641 3.960 0.033 0.000 0.261 431 G C 0.218 175.092 174.900 -0.043 0.000 0.980 431 G CA 0.087 45.179 45.100 -0.013 0.000 0.632 431 G HN 0.316 nan 8.290 nan 0.000 0.533 432 V N 2.199 122.071 119.914 -0.071 0.000 2.405 432 V HA 0.376 4.516 4.120 0.033 0.000 0.264 432 V C 1.047 177.077 176.094 -0.106 0.000 1.048 432 V CA -0.396 61.813 62.300 -0.152 0.000 0.966 432 V CB 1.450 33.034 31.823 -0.399 0.000 1.015 432 V HN 0.293 nan 8.190 nan 0.000 0.477 433 V N 5.493 125.364 119.914 -0.072 0.000 2.403 433 V HA 0.071 4.210 4.120 0.033 0.000 0.265 433 V C 1.148 177.239 176.094 -0.005 0.000 1.034 433 V CA 0.515 62.805 62.300 -0.017 0.000 1.036 433 V CB 0.628 32.444 31.823 -0.013 0.000 1.032 433 V HN 0.992 nan 8.190 nan 0.000 0.478 434 S N 4.632 120.337 115.700 0.009 0.000 2.505 434 S HA 0.389 4.879 4.470 0.033 0.000 0.216 434 S C 0.369 174.981 174.600 0.020 0.000 1.018 434 S CA 0.125 58.324 58.200 -0.002 0.000 0.911 434 S CB 0.325 63.519 63.200 -0.011 0.000 0.818 434 S HN 0.539 nan 8.310 nan 0.000 0.497 435 I N 1.766 122.364 120.570 0.047 0.000 2.571 435 I HA 0.395 4.585 4.170 0.033 0.000 0.289 435 I C -0.626 175.520 176.117 0.048 0.000 1.115 435 I CA -0.339 60.976 61.300 0.025 0.000 1.045 435 I CB 1.976 39.980 38.000 0.007 0.000 1.238 435 I HN 0.077 nan 8.210 nan 0.000 0.424 436 E N 6.863 127.057 120.200 -0.010 0.000 2.267 436 E HA 0.361 4.731 4.350 0.033 0.000 0.248 436 E C -0.119 176.359 176.600 -0.203 0.000 0.899 436 E CA -0.055 56.278 56.400 -0.111 0.000 0.764 436 E CB 1.218 30.933 29.700 0.026 0.000 1.227 436 E HN 0.704 nan 8.360 nan 0.000 0.421 437 E N 1.384 121.397 120.200 -0.313 0.000 3.289 437 E HA -0.303 4.067 4.350 0.033 0.000 0.386 437 E C 0.826 177.326 176.600 -0.167 0.000 1.526 437 E CA 1.367 57.610 56.400 -0.263 0.000 1.519 437 E CB -1.201 28.345 29.700 -0.257 0.000 1.657 437 E HN 0.649 nan 8.360 nan 0.000 0.479 438 G N 0.321 109.043 108.800 -0.130 0.000 3.026 438 G HA2 0.090 4.069 3.960 0.033 0.000 0.208 438 G HA3 0.090 4.069 3.960 0.033 0.000 0.208 438 G C 0.028 174.890 174.900 -0.063 0.000 1.169 438 G CA 0.710 45.757 45.100 -0.088 0.000 0.788 438 G HN 0.163 nan 8.290 nan 0.000 0.533 439 T N 1.274 115.790 114.554 -0.064 0.000 2.728 439 T HA 0.397 4.766 4.350 0.033 0.000 0.296 439 T C -0.114 174.570 174.700 -0.027 0.000 0.940 439 T CA -0.256 61.821 62.100 -0.038 0.000 1.013 439 T CB 2.049 70.899 68.868 -0.030 0.000 0.912 439 T HN -0.118 nan 8.240 nan 0.000 0.484 440 V N 5.743 125.646 119.914 -0.018 0.000 2.406 440 V HA 0.366 4.506 4.120 0.033 0.000 0.272 440 V C 0.554 176.645 176.094 -0.004 0.000 1.043 440 V CA -0.575 61.719 62.300 -0.010 0.000 0.915 440 V CB 0.662 32.480 31.823 -0.008 0.000 0.988 440 V HN 0.899 nan 8.190 nan 0.000 0.466 441 K N 1.952 122.352 120.400 -0.001 0.000 3.253 441 K HA 0.312 4.652 4.320 0.033 0.000 0.174 441 K C 0.011 176.606 176.600 -0.009 0.000 1.071 441 K CA -0.496 55.789 56.287 -0.003 0.000 0.836 441 K CB 0.627 33.126 32.500 -0.001 0.000 0.922 441 K HN 0.606 nan 8.250 nan 0.000 0.565 442 T N -0.942 113.611 114.554 -0.003 0.000 2.898 442 T HA 0.124 4.494 4.350 0.033 0.000 0.301 442 T C 0.006 174.708 174.700 0.003 0.000 1.049 442 T CA -0.449 61.651 62.100 0.000 0.000 1.095 442 T CB 1.123 70.002 68.868 0.018 0.000 0.976 442 T HN 0.392 nan 8.240 nan 0.000 0.539 443 Q N 1.358 121.163 119.800 0.008 0.000 2.413 443 Q HA 0.226 4.586 4.340 0.033 0.000 0.258 443 Q C -0.457 175.594 176.000 0.086 0.000 1.037 443 Q CA -0.386 55.436 55.803 0.031 0.000 0.764 443 Q CB 1.456 30.193 28.738 -0.003 0.000 1.217 443 Q HN 0.688 nan 8.270 nan 0.000 0.490 444 E N 0.465 120.705 120.200 0.066 0.000 2.465 444 E HA 0.036 4.406 4.350 0.033 0.000 0.260 444 E C 0.847 177.500 176.600 0.088 0.000 0.980 444 E CA 0.879 57.322 56.400 0.072 0.000 0.927 444 E CB 0.432 30.160 29.700 0.046 0.000 0.934 444 E HN 0.942 nan 8.360 nan 0.000 0.459 445 G N 2.611 111.470 108.800 0.098 0.000 2.179 445 G HA2 -0.393 3.586 3.960 0.033 0.000 0.260 445 G HA3 -0.393 3.586 3.960 0.033 0.000 0.260 445 G C 0.711 175.683 174.900 0.120 0.000 0.977 445 G CA 0.852 46.007 45.100 0.092 0.000 0.641 445 G HN 0.819 nan 8.290 nan 0.000 0.533 446 H N 1.054 120.161 119.070 0.062 0.000 2.387 446 H HA 0.234 4.809 4.556 0.033 0.000 0.299 446 H C 1.934 177.311 175.328 0.080 0.000 1.090 446 H CA 2.134 58.216 56.048 0.057 0.000 1.332 446 H CB -0.510 29.278 29.762 0.044 0.000 1.386 446 H HN 0.663 nan 8.280 nan 0.000 0.516 447 G N 0.489 109.301 108.800 0.020 0.000 2.441 447 G HA2 0.263 4.243 3.960 0.033 0.000 0.243 447 G HA3 0.263 4.243 3.960 0.033 0.000 0.243 447 G C -0.766 174.199 174.900 0.107 0.000 1.281 447 G CA -0.362 44.774 45.100 0.060 0.000 0.854 447 G HN 0.584 nan 8.290 nan 0.000 0.560 448 E N -0.068 120.072 120.200 -0.100 0.000 2.312 448 E HA 0.309 4.679 4.350 0.033 0.000 0.267 448 E C -1.126 175.055 176.600 -0.698 0.000 0.894 448 E CA -0.847 55.429 56.400 -0.207 0.000 0.773 448 E CB 2.326 31.908 29.700 -0.198 0.000 1.241 448 E HN 0.397 nan 8.360 nan 0.000 0.432 449 F N 2.158 121.578 119.950 -0.884 0.000 2.538 449 F HA 0.139 4.686 4.527 0.033 0.000 0.371 449 F C -0.561 174.873 175.800 -0.612 0.000 1.087 449 F CA -0.225 57.130 58.000 -1.075 0.000 1.250 449 F CB 0.555 39.189 39.000 -0.610 0.000 1.110 449 F HN 0.064 nan 8.300 nan 0.000 0.570 450 V N 7.767 126.833 119.914 -1.413 0.000 2.350 450 V HA 0.371 4.511 4.120 0.033 0.000 0.276 450 V C 0.113 175.485 176.094 -1.203 0.000 1.028 450 V CA -0.812 60.907 62.300 -0.968 0.000 0.860 450 V CB 0.933 32.362 31.823 -0.656 0.000 0.990 450 V HN 0.655 nan 8.190 nan 0.000 0.453 451 R N 4.977 125.081 120.500 -0.660 0.000 2.390 451 R HA 0.602 4.962 4.340 0.033 0.000 0.291 451 R C -0.365 175.773 176.300 -0.269 0.000 1.070 451 R CA -0.446 55.455 56.100 -0.331 0.000 1.014 451 R CB 1.023 31.287 30.300 -0.060 0.000 1.007 451 R HN 0.643 nan 8.270 nan 0.000 0.466 452 R N 1.495 121.879 120.500 -0.192 0.000 2.686 452 R HA 0.321 4.681 4.340 0.033 0.000 0.286 452 R C -1.092 175.162 176.300 -0.077 0.000 0.969 452 R CA -1.061 54.948 56.100 -0.153 0.000 0.898 452 R CB 1.713 31.896 30.300 -0.196 0.000 1.183 452 R HN 0.461 nan 8.270 nan 0.000 0.456 453 D N 3.038 123.407 120.400 -0.051 0.000 2.193 453 D HA 0.318 4.978 4.640 0.033 0.000 0.249 453 D C -1.978 174.320 176.300 -0.002 0.000 1.034 453 D CA -1.532 52.466 54.000 -0.003 0.000 0.902 453 D CB 1.465 42.277 40.800 0.021 0.000 1.182 453 D HN 0.183 nan 8.370 nan 0.000 0.436 454 P HA 0.258 nan 4.420 nan 0.000 0.282 454 P C -0.350 176.997 177.300 0.078 0.000 1.287 454 P CA -0.499 62.566 63.100 -0.058 0.000 0.792 454 P CB 0.504 32.113 31.700 -0.151 0.000 1.163 455 F N -3.448 116.520 119.950 0.029 0.000 2.807 455 F HA -0.142 4.405 4.527 0.033 0.000 0.297 455 F C -1.547 174.270 175.800 0.029 0.000 1.024 455 F CA -0.180 57.840 58.000 0.033 0.000 1.008 455 F CB -2.731 36.287 39.000 0.030 0.000 1.142 455 F HN 0.273 nan 8.300 nan 0.000 0.829 456 P HA 0.269 nan 4.420 nan 0.000 0.273 456 P C 0.875 178.254 177.300 0.130 0.000 1.250 456 P CA 0.512 63.677 63.100 0.108 0.000 0.793 456 P CB 0.813 32.552 31.700 0.066 0.000 1.011 457 A N 1.141 124.022 122.820 0.101 0.000 1.917 457 A HA -0.185 4.154 4.320 0.033 0.000 0.219 457 A C 2.276 179.920 177.584 0.100 0.000 1.182 457 A CA 2.285 54.377 52.037 0.091 0.000 0.633 457 A CB -1.695 17.345 19.000 0.065 0.000 0.819 457 A HN 0.415 nan 8.150 nan 0.000 0.448 458 V N -0.426 119.552 119.914 0.107 0.000 2.407 458 V HA -0.203 3.936 4.120 0.033 0.000 0.248 458 V C 2.545 178.706 176.094 0.112 0.000 1.055 458 V CA 2.896 65.261 62.300 0.108 0.000 1.049 458 V CB -0.445 31.476 31.823 0.163 0.000 0.662 458 V HN 0.554 nan 8.190 nan 0.000 0.455 459 S N -0.607 115.172 115.700 0.133 0.000 2.357 459 S HA -0.163 4.327 4.470 0.033 0.000 0.221 459 S C 1.919 176.633 174.600 0.190 0.000 1.031 459 S CA 1.849 60.133 58.200 0.141 0.000 0.982 459 S CB -0.409 62.861 63.200 0.116 0.000 0.853 459 S HN 0.752 nan 8.310 nan 0.000 0.458 460 T N 2.429 117.113 114.554 0.216 0.000 2.684 460 T HA -0.090 4.280 4.350 0.033 0.000 0.267 460 T C 2.098 176.879 174.700 0.134 0.000 1.036 460 T CA 1.359 63.569 62.100 0.184 0.000 1.148 460 T CB -0.502 68.450 68.868 0.140 0.000 0.863 460 T HN 0.449 nan 8.240 nan 0.000 0.436 461 A N 1.124 124.013 122.820 0.115 0.000 1.902 461 A HA 0.005 4.345 4.320 0.033 0.000 0.217 461 A C 2.238 179.911 177.584 0.148 0.000 1.181 461 A CA 1.274 53.374 52.037 0.105 0.000 0.623 461 A CB -0.780 18.258 19.000 0.062 0.000 0.818 461 A HN 0.414 nan 8.150 nan 0.000 0.443 462 L N -0.031 121.277 121.223 0.141 0.000 2.046 462 L HA -0.093 4.266 4.340 0.033 0.000 0.208 462 L C 2.443 179.428 176.870 0.191 0.000 1.077 462 L CA 2.563 57.507 54.840 0.175 0.000 0.747 462 L CB -0.723 41.409 42.059 0.122 0.000 0.896 462 L HN 0.274 nan 8.230 nan 0.000 0.432 463 S N -1.036 114.759 115.700 0.158 0.000 2.368 463 S HA -0.180 4.310 4.470 0.033 0.000 0.225 463 S C 1.790 176.463 174.600 0.121 0.000 1.030 463 S CA 1.683 59.964 58.200 0.136 0.000 0.999 463 S CB -0.527 62.762 63.200 0.149 0.000 0.844 463 S HN 0.609 nan 8.310 nan 0.000 0.459 464 T N 1.088 115.724 114.554 0.137 0.000 2.746 464 T HA -0.145 4.225 4.350 0.033 0.000 0.267 464 T C 1.334 176.142 174.700 0.181 0.000 1.039 464 T CA 1.075 63.255 62.100 0.133 0.000 1.142 464 T CB -0.323 68.624 68.868 0.132 0.000 0.866 464 T HN 0.639 nan 8.240 nan 0.000 0.444 465 W N 1.975 123.289 121.300 0.024 0.000 2.388 465 W HA -0.100 4.579 4.660 0.033 0.000 0.294 465 W C 1.728 178.259 176.519 0.020 0.000 1.212 465 W CA 0.671 58.027 57.345 0.018 0.000 1.271 465 W CB -0.025 29.443 29.460 0.014 0.000 1.126 465 W HN 0.095 nan 8.180 nan 0.000 0.535 466 K N 0.698 121.069 120.400 -0.050 0.000 2.097 466 K HA -0.218 4.122 4.320 0.033 0.000 0.206 466 K C 1.631 178.138 176.600 -0.155 0.000 1.049 466 K CA 1.741 57.942 56.287 -0.143 0.000 0.933 466 K CB -0.566 31.931 32.500 -0.005 0.000 0.717 466 K HN 0.164 nan 8.250 nan 0.000 0.442 467 E N 0.950 121.103 120.200 -0.079 0.000 2.107 467 E HA -0.079 4.290 4.350 0.033 0.000 0.191 467 E C 1.883 178.414 176.600 -0.114 0.000 0.982 467 E CA 0.741 57.102 56.400 -0.065 0.000 0.809 467 E CB -0.129 29.565 29.700 -0.010 0.000 0.756 467 E HN -0.061 nan 8.360 nan 0.000 0.459 468 V N 0.642 120.467 119.914 -0.149 0.000 2.407 468 V HA -0.231 3.909 4.120 0.033 0.000 0.248 468 V C 2.298 178.207 176.094 -0.308 0.000 1.055 468 V CA 2.272 64.464 62.300 -0.180 0.000 1.049 468 V CB -0.893 30.861 31.823 -0.115 0.000 0.662 468 V HN 0.596 nan 8.190 nan 0.000 0.455 469 T N -2.100 112.163 114.554 -0.486 0.000 3.086 469 T HA 0.428 4.798 4.350 0.033 0.000 0.250 469 T C 0.710 175.250 174.700 -0.265 0.000 1.074 469 T CA 0.436 62.252 62.100 -0.474 0.000 0.988 469 T CB -0.082 68.325 68.868 -0.768 0.000 0.988 469 T HN 0.408 nan 8.240 nan 0.000 0.530 470 A N 3.873 126.578 122.820 -0.193 0.000 2.520 470 A HA 0.492 4.831 4.320 0.033 0.000 0.245 470 A C -1.825 175.708 177.584 -0.086 0.000 1.072 470 A CA -1.178 50.790 52.037 -0.114 0.000 0.761 470 A CB -0.213 18.741 19.000 -0.076 0.000 1.004 470 A HN 0.401 nan 8.150 nan 0.000 0.499 471 P HA 0.297 nan 4.420 nan 0.000 0.275 471 P C -0.748 176.531 177.300 -0.034 0.000 1.227 471 P CA -0.173 62.899 63.100 -0.047 0.000 0.781 471 P CB 0.712 32.391 31.700 -0.035 0.000 0.906 472 R N 1.346 121.828 120.500 -0.030 0.000 2.732 472 R HA 0.631 4.991 4.340 0.033 0.000 0.278 472 R C 0.055 176.345 176.300 -0.016 0.000 0.976 472 R CA -1.071 55.016 56.100 -0.022 0.000 0.963 472 R CB 1.319 31.605 30.300 -0.022 0.000 1.150 472 R HN 0.560 nan 8.270 nan 0.000 0.478 473 A N 1.711 124.524 122.820 -0.012 0.000 2.520 473 A HA 0.192 4.532 4.320 0.033 0.000 0.235 473 A C 0.183 177.762 177.584 -0.008 0.000 1.065 473 A CA -0.279 51.753 52.037 -0.008 0.000 0.764 473 A CB 0.233 19.229 19.000 -0.006 0.000 1.002 473 A HN 0.408 nan 8.150 nan 0.000 0.502 474 V N 4.121 124.030 119.914 -0.007 0.000 2.488 474 V HA 0.098 4.238 4.120 0.033 0.000 0.277 474 V C 0.248 176.340 176.094 -0.005 0.000 1.046 474 V CA -0.405 61.892 62.300 -0.006 0.000 0.986 474 V CB 1.016 32.836 31.823 -0.005 0.000 0.989 474 V HN 0.886 nan 8.190 nan 0.000 0.475 475 Q N 5.665 125.463 119.800 -0.004 0.000 2.293 475 Q HA 0.389 4.748 4.340 0.033 0.000 0.263 475 Q C -0.210 175.788 176.000 -0.003 0.000 1.002 475 Q CA 0.209 56.010 55.803 -0.003 0.000 0.910 475 Q CB 0.997 29.733 28.738 -0.003 0.000 1.185 475 Q HN 0.617 nan 8.270 nan 0.000 0.401 476 R N 0.713 121.212 120.500 -0.002 0.000 2.892 476 R HA 0.554 4.913 4.340 0.033 0.000 0.265 476 R C -0.034 176.265 176.300 -0.001 0.000 1.025 476 R CA -0.727 55.371 56.100 -0.002 0.000 0.982 476 R CB 1.581 31.880 30.300 -0.002 0.000 1.185 476 R HN 0.476 nan 8.270 nan 0.000 0.484 477 S N 0.000 115.699 115.700 -0.001 0.000 2.498 477 S HA 0.000 4.490 4.470 0.033 0.000 0.327 477 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 477 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 477 S HN 0.000 nan 8.310 nan 0.000 0.517