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 1r8w_1_B DATA FIRST_RESID 2 DATA SEQUENCE ISKGFSTQTE RINILKAQIL NAKPCVESER AILITESFKQ TEGQPAILRR DATA SEQUENCE ALALKHILEN IPITIRDQEL IVGSLTKEPR SSQVFPEFSN KWLQDELDRL DATA SEQUENCE NKRTGDAFQI SEESKEKLKD VFEYWNGKTT SELATSYMTE ETREAVNCDV DATA SEQUENCE FTVGNYYYNG VGHVSVDYGK VLRVGFNGII NEAKEQLEKN RSIDPDFIKK DATA SEQUENCE EKFLNSVIIS CEAAITYVNR YAKKAKEIAD NTSDAKRKAE LNEIAKICSK DATA SEQUENCE VSGEGAKSFY EACQLFWFIH AIINIESNGH SISPARFDQY MYPYYENDKN DATA SEQUENCE ITDKFAQELI DCIWIKLNDI NKVRDEISTK HFGGYPMYQN LIVGGQNSEG DATA SEQUENCE KDATNKVSYM ALEAAVHVKL PQPSLSVRIW NKTPDEFLLR AAELTREGLG DATA SEQUENCE LPAYYNDEVI IPALVSRGLT LEDARDYGII GCVEPQKPGK TEGWHDSAFF DATA SEQUENCE NLARIVELTI NSGFDKNKQI GPKTQNFEEM KSFDEFMKAY KAQMEYFVKH DATA SEQUENCE MCCADNCIDI AHAERAPLPF LSSMVDNCIG KGKSLQDGGA EYNFSGPQGV DATA SEQUENCE GVANIGDSLV AVKKIVFDEN KITPSELKKT LNNDFKNSEE IQALLKNAPK DATA SEQUENCE FGNDIDEVDN LAREGALVYC REVNKYTNPR GGNFQPGLYP SSINVYFGSL DATA SEQUENCE TGATPDGRKS GQPLADGVSP SRGCDVSGPT AACNSVSKLD HFIASNGTLF DATA SEQUENCE NQKFHPSALK GDNGLMNLSS LIRSYFDQKG FHVQFNVIDK KILLAAQKNP DATA SEQUENCE EKYQDLIVRV AGYSAQFISL DKSIQNDIIA RTEHVM 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 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.076 176.117 -0.069 0.000 1.063 2 I CA 0.000 61.268 61.300 -0.053 0.000 1.566 2 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 3 S N 5.031 120.686 115.700 -0.074 0.000 2.523 3 S HA 0.424 4.886 4.470 -0.013 0.000 0.275 3 S C 0.909 175.436 174.600 -0.122 0.000 1.281 3 S CA -0.740 57.401 58.200 -0.098 0.000 1.050 3 S CB 1.134 64.287 63.200 -0.077 0.000 0.937 3 S HN 0.554 nan 8.310 nan 0.000 0.492 4 K N 1.762 122.050 120.400 -0.186 0.000 2.391 4 K HA 0.264 4.576 4.320 -0.013 0.000 0.197 4 K C 1.074 177.529 176.600 -0.242 0.000 1.087 4 K CA 0.342 56.511 56.287 -0.195 0.000 1.012 4 K CB 0.275 32.650 32.500 -0.209 0.000 0.925 4 K HN 0.897 nan 8.250 nan 0.000 0.547 5 G N 1.804 110.398 108.800 -0.343 0.000 2.860 5 G HA2 -0.253 3.699 3.960 -0.013 0.000 0.553 5 G HA3 -0.253 3.699 3.960 -0.013 0.000 0.553 5 G C -0.810 173.772 174.900 -0.530 0.000 1.439 5 G CA -0.746 44.166 45.100 -0.313 0.000 0.879 5 G HN 0.101 nan 8.290 nan 0.000 0.545 6 F N 0.762 120.719 119.950 0.011 0.000 2.522 6 F HA 0.694 5.213 4.527 -0.013 0.000 0.324 6 F C 1.171 177.009 175.800 0.062 0.000 1.077 6 F CA -0.017 57.998 58.000 0.026 0.000 0.944 6 F CB 2.177 41.196 39.000 0.031 0.000 1.175 6 F HN 0.862 nan 8.300 nan 0.000 0.468 7 S N -0.038 115.835 115.700 0.289 0.000 2.626 7 S HA 0.503 4.965 4.470 -0.013 0.000 0.257 7 S C -0.242 174.529 174.600 0.284 0.000 1.288 7 S CA -0.700 57.651 58.200 0.251 0.000 0.980 7 S CB 0.715 64.064 63.200 0.248 0.000 0.975 7 S HN 0.566 nan 8.310 nan 0.000 0.577 8 T N 1.975 116.571 114.554 0.071 0.000 2.859 8 T HA 0.493 4.835 4.350 -0.013 0.000 0.281 8 T C -0.639 173.783 174.700 -0.464 0.000 1.005 8 T CA -0.745 61.271 62.100 -0.140 0.000 1.025 8 T CB 1.366 70.192 68.868 -0.070 0.000 0.977 8 T HN 0.678 nan 8.240 nan 0.000 0.458 9 Q N 1.287 120.668 119.800 -0.698 0.000 2.354 9 Q HA 0.468 4.800 4.340 -0.013 0.000 0.244 9 Q C 0.683 176.531 176.000 -0.254 0.000 0.969 9 Q CA -0.815 54.599 55.803 -0.647 0.000 0.885 9 Q CB -0.386 28.062 28.738 -0.483 0.000 1.241 9 Q HN 0.753 nan 8.270 nan 0.000 0.461 10 T N -2.146 112.317 114.554 -0.152 0.000 2.748 10 T HA 0.028 4.370 4.350 -0.013 0.000 0.304 10 T C 0.915 175.580 174.700 -0.058 0.000 1.041 10 T CA -0.285 61.775 62.100 -0.067 0.000 1.033 10 T CB 0.571 69.430 68.868 -0.014 0.000 0.995 10 T HN 0.703 nan 8.240 nan 0.000 0.536 11 E N 0.418 120.598 120.200 -0.032 0.000 2.153 11 E HA -0.161 4.181 4.350 -0.013 0.000 0.194 11 E C 2.312 178.903 176.600 -0.016 0.000 0.988 11 E CA 1.372 57.758 56.400 -0.025 0.000 0.811 11 E CB -0.335 29.357 29.700 -0.014 0.000 0.746 11 E HN 0.773 nan 8.360 nan 0.000 0.466 12 R N 0.176 120.672 120.500 -0.006 0.000 2.105 12 R HA -0.136 4.196 4.340 -0.013 0.000 0.239 12 R C 1.848 178.144 176.300 -0.006 0.000 1.135 12 R CA 1.729 57.831 56.100 0.004 0.000 0.967 12 R CB -0.367 29.947 30.300 0.022 0.000 0.861 12 R HN 0.192 nan 8.270 nan 0.000 0.442 13 I N 1.968 122.526 120.570 -0.020 0.000 2.286 13 I HA -0.240 3.922 4.170 -0.013 0.000 0.248 13 I C 1.567 177.672 176.117 -0.020 0.000 1.115 13 I CA 1.296 62.582 61.300 -0.023 0.000 1.392 13 I CB -1.511 36.464 38.000 -0.043 0.000 1.065 13 I HN 0.296 nan 8.210 nan 0.000 0.418 14 N N 0.960 119.645 118.700 -0.025 0.000 2.142 14 N HA -0.112 4.620 4.740 -0.013 0.000 0.186 14 N C 1.898 177.402 175.510 -0.010 0.000 1.023 14 N CA 1.075 54.113 53.050 -0.019 0.000 0.852 14 N CB -0.065 38.408 38.487 -0.024 0.000 0.998 14 N HN 0.240 nan 8.380 nan 0.000 0.424 15 I N 1.703 122.268 120.570 -0.008 0.000 2.127 15 I HA -0.223 3.939 4.170 -0.013 0.000 0.241 15 I C 2.350 178.466 176.117 -0.001 0.000 1.075 15 I CA 0.966 62.265 61.300 -0.002 0.000 1.334 15 I CB -1.288 36.714 38.000 0.003 0.000 1.040 15 I HN 0.085 nan 8.210 nan 0.000 0.405 16 L N 0.421 121.642 121.223 -0.003 0.000 2.042 16 L HA -0.233 4.099 4.340 -0.013 0.000 0.210 16 L C 2.657 179.523 176.870 -0.006 0.000 1.076 16 L CA 1.483 56.319 54.840 -0.007 0.000 0.749 16 L CB -0.696 41.354 42.059 -0.015 0.000 0.893 16 L HN 0.289 nan 8.230 nan 0.000 0.432 17 K N 0.592 120.989 120.400 -0.004 0.000 2.057 17 K HA -0.193 4.119 4.320 -0.013 0.000 0.207 17 K C 2.161 178.762 176.600 0.001 0.000 1.049 17 K CA 1.347 57.635 56.287 0.002 0.000 0.931 17 K CB -0.092 32.410 32.500 0.005 0.000 0.714 17 K HN 0.262 nan 8.250 nan 0.000 0.440 18 A N 1.119 123.938 122.820 -0.001 0.000 1.933 18 A HA -0.223 4.089 4.320 -0.013 0.000 0.218 18 A C 2.014 179.598 177.584 0.000 0.000 1.175 18 A CA 1.556 53.593 52.037 -0.000 0.000 0.628 18 A CB -0.532 18.467 19.000 -0.001 0.000 0.814 18 A HN 0.498 nan 8.150 nan 0.000 0.444 19 Q N -0.664 119.136 119.800 0.000 0.000 2.096 19 Q HA -0.174 4.158 4.340 -0.013 0.000 0.204 19 Q C 2.013 178.011 176.000 -0.003 0.000 0.982 19 Q CA 1.556 57.360 55.803 0.001 0.000 0.850 19 Q CB -0.284 28.456 28.738 0.004 0.000 0.901 19 Q HN 0.641 nan 8.270 nan 0.000 0.422 20 I N 0.390 120.957 120.570 -0.005 0.000 2.163 20 I HA -0.238 3.923 4.170 -0.013 0.000 0.240 20 I C 2.248 178.358 176.117 -0.013 0.000 1.081 20 I CA 1.374 62.668 61.300 -0.011 0.000 1.353 20 I CB -1.050 36.946 38.000 -0.007 0.000 1.054 20 I HN 0.280 nan 8.210 nan 0.000 0.407 21 L N 0.602 121.824 121.223 -0.001 0.000 2.201 21 L HA -0.158 4.174 4.340 -0.013 0.000 0.212 21 L C 1.734 178.605 176.870 0.001 0.000 1.105 21 L CA 0.966 55.810 54.840 0.006 0.000 0.775 21 L CB -0.501 41.566 42.059 0.014 0.000 0.913 21 L HN 0.315 nan 8.230 nan 0.000 0.440 22 N N 0.145 118.843 118.700 -0.002 0.000 2.398 22 N HA 0.102 4.834 4.740 -0.013 0.000 0.188 22 N C 0.508 176.012 175.510 -0.009 0.000 1.122 22 N CA 0.226 53.275 53.050 -0.002 0.000 0.866 22 N CB 0.179 38.666 38.487 0.000 0.000 0.970 22 N HN 0.142 nan 8.380 nan 0.000 0.462 23 A N 0.925 123.733 122.820 -0.019 0.000 2.371 23 A HA 0.264 4.576 4.320 -0.013 0.000 0.257 23 A C 0.214 177.767 177.584 -0.051 0.000 1.089 23 A CA -0.110 51.908 52.037 -0.031 0.000 0.794 23 A CB 0.496 19.472 19.000 -0.040 0.000 1.029 23 A HN 0.048 nan 8.150 nan 0.000 0.488 24 K N 2.809 123.181 120.400 -0.046 0.000 2.414 24 K HA 0.324 4.636 4.320 -0.013 0.000 0.251 24 K C -2.771 173.775 176.600 -0.089 0.000 1.037 24 K CA -1.580 54.672 56.287 -0.057 0.000 0.980 24 K CB 0.960 33.449 32.500 -0.018 0.000 1.280 24 K HN 0.406 nan 8.250 nan 0.000 0.451 25 P HA -0.163 nan 4.420 nan 0.000 0.259 25 P C -0.385 176.865 177.300 -0.084 0.000 1.163 25 P CA 0.016 62.925 63.100 -0.318 0.000 0.760 25 P CB 0.223 31.393 31.700 -0.883 0.000 0.762 26 C N 1.023 120.415 119.300 0.153 0.000 3.291 26 C HA 0.670 5.122 4.460 -0.013 0.000 0.316 26 C C -0.601 174.597 174.990 0.348 0.000 1.391 26 C CA -0.889 58.297 59.018 0.280 0.000 1.394 26 C CB 1.010 28.832 27.740 0.137 0.000 1.744 26 C HN 0.290 nan 8.230 nan 0.000 0.461 27 V N 2.622 122.678 119.914 0.237 0.000 2.350 27 V HA 0.415 4.527 4.120 -0.013 0.000 0.276 27 V C 0.179 176.318 176.094 0.076 0.000 1.028 27 V CA 0.186 62.559 62.300 0.123 0.000 0.860 27 V CB 0.886 32.740 31.823 0.053 0.000 0.990 27 V HN 0.907 nan 8.190 nan 0.000 0.453 28 E N 2.477 122.714 120.200 0.061 0.000 2.250 28 E HA 0.368 4.710 4.350 -0.013 0.000 0.265 28 E C 0.388 176.981 176.600 -0.013 0.000 1.033 28 E CA -0.093 56.324 56.400 0.029 0.000 0.888 28 E CB 1.562 31.285 29.700 0.039 0.000 1.151 28 E HN 0.723 nan 8.360 nan 0.000 0.412 29 S N 0.117 115.797 115.700 -0.034 0.000 2.540 29 S HA 0.030 4.492 4.470 -0.013 0.000 0.222 29 S C 1.109 175.657 174.600 -0.086 0.000 1.008 29 S CA -0.202 57.954 58.200 -0.073 0.000 0.939 29 S CB 0.171 63.324 63.200 -0.078 0.000 0.865 29 S HN 0.319 nan 8.310 nan 0.000 0.499 30 E N 2.889 123.049 120.200 -0.065 0.000 2.035 30 E HA -0.173 4.169 4.350 -0.013 0.000 0.204 30 E C 2.023 178.561 176.600 -0.104 0.000 1.025 30 E CA 1.734 58.091 56.400 -0.072 0.000 0.835 30 E CB -0.381 29.289 29.700 -0.050 0.000 0.764 30 E HN 0.582 nan 8.360 nan 0.000 0.457 31 R N 0.092 120.512 120.500 -0.135 0.000 2.091 31 R HA -0.163 4.169 4.340 -0.013 0.000 0.238 31 R C 2.160 178.331 176.300 -0.215 0.000 1.136 31 R CA 1.520 57.500 56.100 -0.200 0.000 0.959 31 R CB -0.307 29.808 30.300 -0.309 0.000 0.856 31 R HN 0.236 nan 8.270 nan 0.000 0.437 32 A N 1.276 123.964 122.820 -0.219 0.000 1.902 32 A HA -0.142 4.170 4.320 -0.013 0.000 0.217 32 A C 2.080 179.604 177.584 -0.101 0.000 1.181 32 A CA 1.228 53.142 52.037 -0.205 0.000 0.623 32 A CB -0.385 18.482 19.000 -0.221 0.000 0.818 32 A HN 0.277 nan 8.150 nan 0.000 0.443 33 I N 0.017 120.531 120.570 -0.093 0.000 2.142 33 I HA -0.219 3.943 4.170 -0.013 0.000 0.240 33 I C 2.531 178.640 176.117 -0.013 0.000 1.078 33 I CA 1.247 62.514 61.300 -0.055 0.000 1.343 33 I CB -1.453 36.510 38.000 -0.062 0.000 1.046 33 I HN 0.301 nan 8.210 nan 0.000 0.405 34 L N 0.181 121.389 121.223 -0.026 0.000 2.017 34 L HA -0.221 4.111 4.340 -0.013 0.000 0.208 34 L C 2.639 179.596 176.870 0.146 0.000 1.073 34 L CA 1.389 56.249 54.840 0.033 0.000 0.745 34 L CB -0.495 41.510 42.059 -0.091 0.000 0.894 34 L HN 0.179 nan 8.230 nan 0.000 0.432 35 I N -0.558 120.055 120.570 0.071 0.000 2.394 35 I HA -0.274 3.888 4.170 -0.013 0.000 0.251 35 I C 2.349 178.618 176.117 0.253 0.000 1.136 35 I CA 1.290 62.680 61.300 0.149 0.000 1.425 35 I CB 0.056 38.050 38.000 -0.010 0.000 1.079 35 I HN 0.262 nan 8.210 nan 0.000 0.425 36 T N 0.091 114.769 114.554 0.206 0.000 2.777 36 T HA -0.223 4.119 4.350 -0.013 0.000 0.266 36 T C 1.690 176.284 174.700 -0.176 0.000 1.040 36 T CA 1.587 63.727 62.100 0.066 0.000 1.141 36 T CB -0.189 68.738 68.868 0.099 0.000 0.868 36 T HN 0.446 nan 8.240 nan 0.000 0.444 37 E N 0.653 120.821 120.200 -0.053 0.000 2.023 37 E HA -0.174 4.168 4.350 -0.013 0.000 0.196 37 E C 2.453 178.971 176.600 -0.136 0.000 1.003 37 E CA 1.427 57.779 56.400 -0.080 0.000 0.809 37 E CB -0.197 29.547 29.700 0.073 0.000 0.755 37 E HN 0.370 nan 8.360 nan 0.000 0.449 38 S N -0.725 114.944 115.700 -0.052 0.000 2.359 38 S HA -0.168 4.294 4.470 -0.013 0.000 0.224 38 S C 1.779 176.346 174.600 -0.054 0.000 1.035 38 S CA 1.176 59.300 58.200 -0.127 0.000 1.018 38 S CB -0.453 62.765 63.200 0.030 0.000 0.876 38 S HN 0.322 nan 8.310 nan 0.000 0.448 39 F N 1.848 121.702 119.950 -0.160 0.000 2.202 39 F HA 0.049 4.567 4.527 -0.014 0.000 0.301 39 F C 2.341 177.982 175.800 -0.265 0.000 1.082 39 F CA 1.217 59.117 58.000 -0.167 0.000 1.313 39 F CB -0.301 38.608 39.000 -0.152 0.000 1.024 39 F HN 0.227 nan 8.300 nan 0.000 0.495 40 K N -0.367 119.855 120.400 -0.297 0.000 2.209 40 K HA -0.175 4.137 4.320 -0.013 0.000 0.204 40 K C 1.716 178.206 176.600 -0.184 0.000 1.048 40 K CA 1.288 57.378 56.287 -0.327 0.000 0.940 40 K CB -0.187 32.067 32.500 -0.411 0.000 0.729 40 K HN 0.417 nan 8.250 nan 0.000 0.451 41 Q N -0.577 119.112 119.800 -0.185 0.000 2.408 41 Q HA -0.007 4.325 4.340 -0.013 0.000 0.205 41 Q C 0.988 176.893 176.000 -0.158 0.000 0.919 41 Q CA 1.012 56.718 55.803 -0.161 0.000 0.932 41 Q CB 0.747 29.377 28.738 -0.180 0.000 1.058 41 Q HN 0.280 nan 8.270 nan 0.000 0.517 42 T N -3.396 111.042 114.554 -0.193 0.000 3.174 42 T HA 0.155 4.497 4.350 -0.013 0.000 0.269 42 T C 1.087 175.668 174.700 -0.198 0.000 1.017 42 T CA -0.211 61.762 62.100 -0.212 0.000 0.899 42 T CB 0.464 69.153 68.868 -0.297 0.000 1.077 42 T HN -0.048 nan 8.240 nan 0.000 0.552 43 E N 2.507 122.622 120.200 -0.141 0.000 2.169 43 E HA -0.099 4.243 4.350 -0.013 0.000 0.202 43 E C 1.924 178.475 176.600 -0.083 0.000 1.016 43 E CA 1.791 58.137 56.400 -0.090 0.000 0.817 43 E CB -0.830 28.843 29.700 -0.045 0.000 0.736 43 E HN 0.682 nan 8.360 nan 0.000 0.462 44 G N -0.913 107.838 108.800 -0.082 0.000 3.371 44 G HA2 0.049 4.001 3.960 -0.013 0.000 0.248 44 G HA3 0.049 4.001 3.960 -0.013 0.000 0.248 44 G C 0.130 174.987 174.900 -0.070 0.000 1.161 44 G CA -0.312 44.750 45.100 -0.065 0.000 0.796 44 G HN 0.091 nan 8.290 nan 0.000 0.539 45 Q N 0.165 119.908 119.800 -0.096 0.000 2.248 45 Q HA 0.519 4.851 4.340 -0.013 0.000 0.263 45 Q C -2.443 173.508 176.000 -0.082 0.000 1.007 45 Q CA -1.888 53.859 55.803 -0.094 0.000 0.877 45 Q CB 2.210 30.873 28.738 -0.124 0.000 1.315 45 Q HN -0.025 nan 8.270 nan 0.000 0.454 46 P HA 0.076 nan 4.420 nan 0.000 0.272 46 P C -0.568 176.712 177.300 -0.033 0.000 1.223 46 P CA 0.119 63.200 63.100 -0.031 0.000 0.784 46 P CB 0.797 32.486 31.700 -0.018 0.000 0.923 47 A N 2.523 125.345 122.820 0.004 0.000 1.927 47 A HA -0.249 4.063 4.320 -0.013 0.000 0.220 47 A C 1.981 179.596 177.584 0.051 0.000 1.185 47 A CA 1.870 53.929 52.037 0.037 0.000 0.639 47 A CB -1.543 17.515 19.000 0.096 0.000 0.820 47 A HN 0.591 nan 8.150 nan 0.000 0.451 48 I N -1.054 119.554 120.570 0.064 0.000 2.286 48 I HA -0.160 4.002 4.170 -0.013 0.000 0.248 48 I C 1.975 178.111 176.117 0.032 0.000 1.115 48 I CA 1.075 62.428 61.300 0.089 0.000 1.392 48 I CB -0.160 37.922 38.000 0.136 0.000 1.065 48 I HN 0.212 nan 8.210 nan 0.000 0.418 49 L N 0.284 121.499 121.223 -0.013 0.000 2.109 49 L HA -0.049 4.283 4.340 -0.013 0.000 0.207 49 L C 2.584 179.404 176.870 -0.084 0.000 1.086 49 L CA 1.441 56.251 54.840 -0.051 0.000 0.760 49 L CB -1.266 40.754 42.059 -0.065 0.000 0.910 49 L HN 0.277 nan 8.230 nan 0.000 0.437 50 R N -0.644 119.775 120.500 -0.134 0.000 2.081 50 R HA -0.119 4.213 4.340 -0.013 0.000 0.235 50 R C 2.155 178.378 176.300 -0.129 0.000 1.131 50 R CA 0.759 56.683 56.100 -0.293 0.000 0.960 50 R CB -0.222 29.754 30.300 -0.539 0.000 0.856 50 R HN 0.309 nan 8.270 nan 0.000 0.436 51 R N 0.451 120.973 120.500 0.037 0.000 2.075 51 R HA -0.011 4.321 4.340 -0.013 0.000 0.232 51 R C 2.167 178.526 176.300 0.098 0.000 1.126 51 R CA 1.404 57.603 56.100 0.165 0.000 0.963 51 R CB -0.761 29.649 30.300 0.184 0.000 0.858 51 R HN 0.226 nan 8.270 nan 0.000 0.435 52 A N 1.026 123.867 122.820 0.036 0.000 1.873 52 A HA -0.106 4.206 4.320 -0.013 0.000 0.215 52 A C 2.103 179.682 177.584 -0.008 0.000 1.186 52 A CA 0.976 53.015 52.037 0.004 0.000 0.616 52 A CB -0.423 18.558 19.000 -0.030 0.000 0.823 52 A HN 0.097 nan 8.150 nan 0.000 0.442 53 L N -0.365 120.843 121.223 -0.025 0.000 2.131 53 L HA -0.095 4.237 4.340 -0.013 0.000 0.210 53 L C 2.881 179.764 176.870 0.022 0.000 1.092 53 L CA 1.698 56.520 54.840 -0.030 0.000 0.759 53 L CB -1.314 40.697 42.059 -0.080 0.000 0.903 53 L HN 0.433 nan 8.230 nan 0.000 0.435 54 A N -1.057 121.807 122.820 0.072 0.000 1.897 54 A HA -0.163 4.149 4.320 -0.013 0.000 0.215 54 A C 2.238 179.884 177.584 0.105 0.000 1.181 54 A CA 1.352 53.492 52.037 0.172 0.000 0.620 54 A CB -0.695 18.525 19.000 0.367 0.000 0.821 54 A HN 0.322 nan 8.150 nan 0.000 0.443 55 L N 0.257 121.508 121.223 0.046 0.000 2.046 55 L HA -0.153 4.179 4.340 -0.013 0.000 0.208 55 L C 2.296 179.124 176.870 -0.070 0.000 1.077 55 L CA 2.646 57.460 54.840 -0.043 0.000 0.747 55 L CB -0.604 41.407 42.059 -0.080 0.000 0.896 55 L HN 0.489 nan 8.230 nan 0.000 0.432 56 K N -1.650 118.729 120.400 -0.035 0.000 2.009 56 K HA -0.309 4.003 4.320 -0.013 0.000 0.210 56 K C 2.328 178.941 176.600 0.022 0.000 1.049 56 K CA 1.886 58.155 56.287 -0.030 0.000 0.929 56 K CB -0.357 32.135 32.500 -0.014 0.000 0.714 56 K HN 0.486 nan 8.250 nan 0.000 0.440 57 H N 0.567 119.609 119.070 -0.047 0.000 2.387 57 H HA -0.041 4.507 4.556 -0.013 0.000 0.299 57 H C 1.828 177.132 175.328 -0.040 0.000 1.090 57 H CA 2.018 58.044 56.048 -0.036 0.000 1.332 57 H CB -0.081 29.668 29.762 -0.022 0.000 1.386 57 H HN 0.223 nan 8.280 nan 0.000 0.516 58 I N -0.354 120.183 120.570 -0.055 0.000 2.163 58 I HA -0.255 3.907 4.170 -0.013 0.000 0.240 58 I C 2.179 178.223 176.117 -0.122 0.000 1.081 58 I CA 1.057 62.280 61.300 -0.128 0.000 1.353 58 I CB -0.265 37.667 38.000 -0.114 0.000 1.054 58 I HN 0.222 nan 8.210 nan 0.000 0.407 59 L N 0.330 121.480 121.223 -0.122 0.000 2.191 59 L HA -0.189 4.143 4.340 -0.013 0.000 0.212 59 L C 2.201 179.106 176.870 0.058 0.000 1.103 59 L CA 1.322 56.121 54.840 -0.068 0.000 0.769 59 L CB -0.539 41.406 42.059 -0.189 0.000 0.908 59 L HN 0.341 nan 8.230 nan 0.000 0.438 60 E N -0.461 119.721 120.200 -0.030 0.000 2.318 60 E HA -0.039 4.303 4.350 -0.013 0.000 0.193 60 E C 1.135 177.692 176.600 -0.073 0.000 0.998 60 E CA 0.367 56.747 56.400 -0.034 0.000 0.859 60 E CB 0.207 29.884 29.700 -0.038 0.000 0.812 60 E HN 0.523 nan 8.360 nan 0.000 0.492 61 N N 0.307 118.929 118.700 -0.131 0.000 2.210 61 N HA 0.063 4.795 4.740 -0.013 0.000 0.203 61 N C 0.289 175.740 175.510 -0.098 0.000 1.175 61 N CA -0.172 52.787 53.050 -0.151 0.000 0.894 61 N CB 0.983 39.296 38.487 -0.290 0.000 1.041 61 N HN 0.070 nan 8.380 nan 0.000 0.506 62 I N 3.292 123.830 120.570 -0.053 0.000 2.752 62 I HA 0.066 4.227 4.170 -0.013 0.000 0.287 62 I C -2.118 174.010 176.117 0.019 0.000 1.188 62 I CA -1.645 59.652 61.300 -0.006 0.000 1.427 62 I CB 0.372 38.402 38.000 0.050 0.000 1.365 62 I HN -0.076 nan 8.210 nan 0.000 0.585 63 P HA 0.194 nan 4.420 nan 0.000 0.267 63 P C -0.929 176.377 177.300 0.010 0.000 1.200 63 P CA 0.279 63.377 63.100 -0.003 0.000 0.772 63 P CB 0.335 32.039 31.700 0.007 0.000 0.855 64 I N 1.827 122.350 120.570 -0.077 0.000 2.406 64 I HA 0.303 4.465 4.170 -0.013 0.000 0.290 64 I C -0.112 175.932 176.117 -0.121 0.000 0.999 64 I CA -0.183 60.997 61.300 -0.200 0.000 1.124 64 I CB 1.861 39.549 38.000 -0.519 0.000 1.289 64 I HN 0.214 nan 8.210 nan 0.000 0.441 65 T N 6.849 121.417 114.554 0.024 0.000 2.876 65 T HA 0.614 4.956 4.350 -0.013 0.000 0.289 65 T C -0.355 174.473 174.700 0.214 0.000 1.014 65 T CA -0.435 61.723 62.100 0.096 0.000 0.986 65 T CB 1.915 70.857 68.868 0.124 0.000 1.021 65 T HN 0.275 nan 8.240 nan 0.000 0.458 66 I N 3.018 123.675 120.570 0.145 0.000 2.476 66 I HA 0.341 4.503 4.170 -0.013 0.000 0.281 66 I C 0.281 176.463 176.117 0.107 0.000 1.040 66 I CA -0.793 60.610 61.300 0.171 0.000 1.094 66 I CB 1.417 39.510 38.000 0.154 0.000 1.219 66 I HN 0.372 nan 8.210 nan 0.000 0.450 67 R N 2.608 123.166 120.500 0.098 0.000 2.641 67 R HA 0.136 4.468 4.340 -0.013 0.000 0.269 67 R C -0.261 176.072 176.300 0.055 0.000 1.074 67 R CA -0.672 55.468 56.100 0.065 0.000 1.133 67 R CB 0.655 30.986 30.300 0.053 0.000 1.029 67 R HN 0.442 nan 8.270 nan 0.000 0.488 68 D N 1.630 122.056 120.400 0.043 0.000 2.493 68 D HA -0.088 4.544 4.640 -0.013 0.000 0.240 68 D C 0.107 176.429 176.300 0.036 0.000 1.142 68 D CA 0.893 54.916 54.000 0.039 0.000 0.872 68 D CB 0.535 41.352 40.800 0.030 0.000 1.173 68 D HN 0.405 nan 8.370 nan 0.000 0.467 69 Q N 0.336 120.162 119.800 0.044 0.000 2.360 69 Q HA -0.212 4.120 4.340 -0.013 0.000 0.192 69 Q C -0.545 175.485 176.000 0.050 0.000 0.615 69 Q CA 0.932 56.762 55.803 0.045 0.000 1.355 69 Q CB -1.850 26.907 28.738 0.031 0.000 1.324 69 Q HN 0.762 nan 8.270 nan 0.000 0.885 70 E N 0.572 120.802 120.200 0.051 0.000 2.384 70 E HA 0.126 4.468 4.350 -0.013 0.000 0.266 70 E C 1.229 177.880 176.600 0.084 0.000 1.012 70 E CA 0.035 56.462 56.400 0.044 0.000 0.901 70 E CB 0.450 30.173 29.700 0.039 0.000 0.967 70 E HN 0.198 nan 8.360 nan 0.000 0.435 71 L N 2.990 124.258 121.223 0.075 0.000 2.316 71 L HA 0.140 4.472 4.340 -0.013 0.000 0.207 71 L C 0.476 177.461 176.870 0.191 0.000 1.070 71 L CA 0.249 55.185 54.840 0.160 0.000 0.820 71 L CB 0.407 42.513 42.059 0.079 0.000 0.992 71 L HN 0.497 nan 8.230 nan 0.000 0.466 72 I N 1.916 122.512 120.570 0.042 0.000 2.330 72 I HA 0.220 4.382 4.170 -0.013 0.000 0.289 72 I C 0.102 176.167 176.117 -0.087 0.000 1.001 72 I CA -0.357 60.938 61.300 -0.009 0.000 1.193 72 I CB 1.405 39.319 38.000 -0.143 0.000 1.345 72 I HN -0.217 nan 8.210 nan 0.000 0.461 73 V N 2.918 122.801 119.914 -0.052 0.000 2.966 73 V HA 1.079 5.191 4.120 -0.013 0.000 0.317 73 V C 0.244 176.211 176.094 -0.212 0.000 1.070 73 V CA -0.564 61.712 62.300 -0.039 0.000 1.008 73 V CB 1.530 33.440 31.823 0.144 0.000 1.070 73 V HN 1.050 nan 8.190 nan 0.000 0.457 74 G N 1.473 110.208 108.800 -0.108 0.000 3.084 74 G HA2 0.293 4.245 3.960 -0.013 0.000 0.543 74 G HA3 0.293 4.245 3.960 -0.013 0.000 0.543 74 G C -0.724 174.410 174.900 0.390 0.000 1.239 74 G CA -0.228 44.797 45.100 -0.124 0.000 1.190 74 G HN 1.184 nan 8.290 nan 0.000 0.549 75 S N 1.639 117.606 115.700 0.444 0.000 2.532 75 S HA 0.538 5.000 4.470 -0.013 0.000 0.299 75 S C 1.353 176.175 174.600 0.370 0.000 1.105 75 S CA -0.895 57.537 58.200 0.387 0.000 1.018 75 S CB 1.742 65.115 63.200 0.289 0.000 1.021 75 S HN 0.560 nan 8.310 nan 0.000 0.483 76 L N 1.711 123.114 121.223 0.300 0.000 2.313 76 L HA 0.098 4.430 4.340 -0.013 0.000 0.214 76 L C 1.112 178.091 176.870 0.182 0.000 1.119 76 L CA 0.591 55.570 54.840 0.231 0.000 0.809 76 L CB -0.433 41.741 42.059 0.193 0.000 0.933 76 L HN 0.716 nan 8.230 nan 0.000 0.449 77 T N -5.123 109.536 114.554 0.174 0.000 2.903 77 T HA 0.329 4.671 4.350 -0.013 0.000 0.299 77 T C 0.396 175.167 174.700 0.118 0.000 1.093 77 T CA -0.910 61.268 62.100 0.130 0.000 1.002 77 T CB 2.572 71.513 68.868 0.122 0.000 1.127 77 T HN -0.134 nan 8.240 nan 0.000 0.488 78 K N 0.180 120.633 120.400 0.089 0.000 2.001 78 K HA 0.003 4.315 4.320 -0.013 0.000 0.208 78 K C 0.808 177.449 176.600 0.067 0.000 1.048 78 K CA 1.116 57.447 56.287 0.073 0.000 0.932 78 K CB -0.097 32.433 32.500 0.051 0.000 0.715 78 K HN 0.664 nan 8.250 nan 0.000 0.437 79 E N 1.564 121.801 120.200 0.061 0.000 2.338 79 E HA 0.085 4.427 4.350 -0.013 0.000 0.272 79 E C -2.577 174.053 176.600 0.051 0.000 1.029 79 E CA -2.452 53.977 56.400 0.048 0.000 0.872 79 E CB 0.828 30.554 29.700 0.043 0.000 1.015 79 E HN -0.142 nan 8.360 nan 0.000 0.417 80 P HA 0.062 nan 4.420 nan 0.000 0.272 80 P C -0.863 176.440 177.300 0.005 0.000 1.230 80 P CA 0.095 63.213 63.100 0.030 0.000 0.788 80 P CB 0.393 32.102 31.700 0.015 0.000 0.949 81 R N -0.312 120.194 120.500 0.010 0.000 3.405 81 R HA -0.170 4.162 4.340 -0.013 0.000 0.258 81 R C -0.708 175.567 176.300 -0.043 0.000 1.030 81 R CA 0.468 56.546 56.100 -0.037 0.000 0.691 81 R CB -1.690 28.539 30.300 -0.118 0.000 1.093 81 R HN 0.486 nan 8.270 nan 0.000 0.448 82 S N -1.258 114.478 115.700 0.060 0.000 2.759 82 S HA 0.616 5.078 4.470 -0.013 0.000 0.310 82 S C -0.652 174.073 174.600 0.209 0.000 1.123 82 S CA -0.433 57.853 58.200 0.142 0.000 0.959 82 S CB 2.078 65.352 63.200 0.123 0.000 1.172 82 S HN 0.310 nan 8.310 nan 0.000 0.539 83 S N 0.431 116.285 115.700 0.257 0.000 2.513 83 S HA 0.567 5.029 4.470 -0.013 0.000 0.299 83 S C -0.879 173.812 174.600 0.153 0.000 1.087 83 S CA -0.540 57.780 58.200 0.200 0.000 1.012 83 S CB 1.419 64.700 63.200 0.135 0.000 1.044 83 S HN 0.539 nan 8.310 nan 0.000 0.485 84 Q N 1.572 121.487 119.800 0.191 0.000 2.237 84 Q HA 0.639 4.971 4.340 -0.013 0.000 0.219 84 Q C -1.045 175.045 176.000 0.149 0.000 0.999 84 Q CA -0.479 55.388 55.803 0.107 0.000 0.959 84 Q CB 1.280 30.054 28.738 0.060 0.000 1.173 84 Q HN 0.567 nan 8.270 nan 0.000 0.527 85 V N 1.528 121.419 119.914 -0.040 0.000 2.667 85 V HA 0.462 4.574 4.120 -0.013 0.000 0.308 85 V C -1.023 174.948 176.094 -0.204 0.000 1.048 85 V CA -0.528 61.784 62.300 0.021 0.000 0.928 85 V CB 1.333 33.105 31.823 -0.084 0.000 1.004 85 V HN 0.598 nan 8.190 nan 0.000 0.444 86 F N 4.227 124.148 119.950 -0.049 0.000 2.564 86 F HA 0.413 4.932 4.527 -0.013 0.000 0.361 86 F C -1.841 173.772 175.800 -0.312 0.000 1.161 86 F CA -2.301 55.611 58.000 -0.147 0.000 1.198 86 F CB 1.178 40.239 39.000 0.103 0.000 1.424 86 F HN 0.364 nan 8.300 nan 0.000 0.517 87 P HA -0.196 nan 4.420 nan 0.000 0.221 87 P C 1.531 178.129 177.300 -1.170 0.000 1.145 87 P CA 1.178 63.802 63.100 -0.792 0.000 0.795 87 P CB 0.175 31.185 31.700 -1.150 0.000 0.775 88 E N -0.428 118.912 120.200 -1.433 0.000 2.265 88 E HA -0.166 4.176 4.350 -0.013 0.000 0.196 88 E C 1.395 177.575 176.600 -0.699 0.000 0.996 88 E CA 1.172 56.760 56.400 -1.353 0.000 0.832 88 E CB -1.097 27.865 29.700 -1.231 0.000 0.756 88 E HN 0.329 nan 8.360 nan 0.000 0.491 89 F N 1.519 121.361 119.950 -0.179 0.000 2.274 89 F HA 0.099 4.618 4.527 -0.014 0.000 0.288 89 F C 1.382 177.155 175.800 -0.045 0.000 1.069 89 F CA 0.445 58.402 58.000 -0.072 0.000 1.343 89 F CB 0.377 39.398 39.000 0.034 0.000 1.089 89 F HN 0.020 nan 8.300 nan 0.000 0.517 90 S N -0.414 115.428 115.700 0.237 0.000 2.597 90 S HA 0.383 4.845 4.470 -0.013 0.000 0.274 90 S C -0.896 173.876 174.600 0.286 0.000 1.132 90 S CA -0.318 58.060 58.200 0.296 0.000 0.835 90 S CB 1.521 65.043 63.200 0.537 0.000 1.092 90 S HN 0.349 nan 8.310 nan 0.000 0.457 91 N N -0.161 118.643 118.700 0.173 0.000 1.863 91 N HA 0.118 4.850 4.740 -0.013 0.000 0.241 91 N C 0.731 176.060 175.510 -0.301 0.000 1.395 91 N CA -0.310 52.688 53.050 -0.087 0.000 0.765 91 N CB -0.228 38.326 38.487 0.111 0.000 1.120 91 N HN 0.464 nan 8.380 nan 0.000 0.510 92 K N 1.028 121.371 120.400 -0.095 0.000 2.103 92 K HA -0.090 4.222 4.320 -0.013 0.000 0.207 92 K C 1.262 177.738 176.600 -0.206 0.000 1.048 92 K CA 1.980 58.164 56.287 -0.171 0.000 0.930 92 K CB -0.296 32.215 32.500 0.019 0.000 0.716 92 K HN 0.487 nan 8.250 nan 0.000 0.444 93 W N 1.298 122.579 121.300 -0.031 0.000 2.342 93 W HA -0.186 4.466 4.660 -0.013 0.000 0.297 93 W C 1.406 177.868 176.519 -0.097 0.000 1.213 93 W CA 0.561 57.867 57.345 -0.066 0.000 1.251 93 W CB -0.930 28.468 29.460 -0.102 0.000 1.136 93 W HN 0.043 nan 8.180 nan 0.000 0.526 94 L N 1.180 121.648 121.223 -1.259 0.000 2.093 94 L HA -0.225 4.107 4.340 -0.013 0.000 0.208 94 L C 3.101 179.626 176.870 -0.574 0.000 1.085 94 L CA 2.006 56.164 54.840 -1.137 0.000 0.755 94 L CB -0.547 40.794 42.059 -1.196 0.000 0.904 94 L HN 0.097 nan 8.230 nan 0.000 0.435 95 Q N -0.516 118.789 119.800 -0.825 0.000 2.226 95 Q HA -0.238 4.094 4.340 -0.013 0.000 0.204 95 Q C 1.467 177.245 176.000 -0.370 0.000 0.975 95 Q CA 1.710 56.990 55.803 -0.872 0.000 0.866 95 Q CB 0.140 28.121 28.738 -1.263 0.000 0.915 95 Q HN 0.515 nan 8.270 nan 0.000 0.440 96 D N 0.121 120.371 120.400 -0.249 0.000 2.194 96 D HA -0.078 4.554 4.640 -0.013 0.000 0.204 96 D C 0.708 176.984 176.300 -0.040 0.000 0.964 96 D CA 0.893 54.834 54.000 -0.098 0.000 0.846 96 D CB 0.220 41.004 40.800 -0.026 0.000 0.962 96 D HN 0.405 nan 8.370 nan 0.000 0.490 97 E N 0.093 120.276 120.200 -0.028 0.000 2.476 97 E HA 0.131 4.473 4.350 -0.013 0.000 0.196 97 E C 1.958 178.573 176.600 0.024 0.000 1.029 97 E CA -0.269 56.152 56.400 0.035 0.000 0.896 97 E CB 0.538 30.316 29.700 0.131 0.000 1.012 97 E HN 0.182 nan 8.360 nan 0.000 0.475 98 L N 1.242 122.455 121.223 -0.016 0.000 2.089 98 L HA -0.249 4.083 4.340 -0.013 0.000 0.213 98 L C 1.447 178.341 176.870 0.040 0.000 1.079 98 L CA 1.291 56.141 54.840 0.016 0.000 0.758 98 L CB -0.162 41.911 42.059 0.023 0.000 0.891 98 L HN 0.178 nan 8.230 nan 0.000 0.433 99 D N -0.736 119.684 120.400 0.033 0.000 2.350 99 D HA -0.024 4.608 4.640 -0.013 0.000 0.213 99 D C 1.521 177.850 176.300 0.047 0.000 1.031 99 D CA 0.429 54.453 54.000 0.039 0.000 0.861 99 D CB 0.254 41.071 40.800 0.029 0.000 0.926 99 D HN 0.532 nan 8.370 nan 0.000 0.520 100 R N -0.074 120.459 120.500 0.054 0.000 2.543 100 R HA 0.298 4.630 4.340 -0.013 0.000 0.323 100 R C 1.591 177.943 176.300 0.087 0.000 1.002 100 R CA -0.143 55.993 56.100 0.061 0.000 1.106 100 R CB -0.342 29.988 30.300 0.049 0.000 1.280 100 R HN 0.008 nan 8.270 nan 0.000 0.549 101 L N 1.930 123.219 121.223 0.110 0.000 2.093 101 L HA -0.124 4.208 4.340 -0.013 0.000 0.208 101 L C 1.615 178.589 176.870 0.174 0.000 1.085 101 L CA 1.354 56.293 54.840 0.165 0.000 0.755 101 L CB -0.374 41.799 42.059 0.189 0.000 0.904 101 L HN 0.451 nan 8.230 nan 0.000 0.435 102 N N -0.143 118.635 118.700 0.131 0.000 2.398 102 N HA -0.106 4.626 4.740 -0.013 0.000 0.188 102 N C 0.862 176.418 175.510 0.077 0.000 1.122 102 N CA 0.387 53.502 53.050 0.109 0.000 0.866 102 N CB 0.066 38.607 38.487 0.090 0.000 0.970 102 N HN 0.304 nan 8.380 nan 0.000 0.462 103 K N 0.440 120.884 120.400 0.072 0.000 2.498 103 K HA 0.219 4.531 4.320 -0.013 0.000 0.207 103 K C -0.093 176.533 176.600 0.044 0.000 1.033 103 K CA -0.297 56.020 56.287 0.050 0.000 1.138 103 K CB 0.678 33.204 32.500 0.043 0.000 0.860 103 K HN 0.125 nan 8.250 nan 0.000 0.490 104 R N 0.036 120.569 120.500 0.055 0.000 2.459 104 R HA 0.122 4.454 4.340 -0.013 0.000 0.281 104 R C 0.909 177.214 176.300 0.008 0.000 1.050 104 R CA -0.107 56.016 56.100 0.038 0.000 1.055 104 R CB 0.832 31.170 30.300 0.063 0.000 1.045 104 R HN -0.070 nan 8.270 nan 0.000 0.495 105 T N 0.086 114.632 114.554 -0.013 0.000 3.023 105 T HA 0.052 4.394 4.350 -0.013 0.000 0.266 105 T C 0.728 175.387 174.700 -0.068 0.000 1.093 105 T CA 1.015 63.094 62.100 -0.035 0.000 1.129 105 T CB 0.259 69.104 68.868 -0.039 0.000 0.899 105 T HN 0.783 nan 8.240 nan 0.000 0.491 106 G N -0.140 108.612 108.800 -0.080 0.000 2.696 106 G HA2 0.483 4.435 3.960 -0.013 0.000 0.295 106 G HA3 0.483 4.435 3.960 -0.013 0.000 0.295 106 G C -1.495 173.308 174.900 -0.161 0.000 1.398 106 G CA -0.775 44.236 45.100 -0.149 0.000 0.920 106 G HN 0.047 nan 8.290 nan 0.000 0.492 107 D N -1.178 119.003 120.400 -0.365 0.000 2.689 107 D HA -0.051 4.581 4.640 -0.013 0.000 0.237 107 D C 0.808 177.147 176.300 0.064 0.000 1.148 107 D CA 1.199 54.950 54.000 -0.416 0.000 0.656 107 D CB -0.828 39.868 40.800 -0.173 0.000 1.050 107 D HN 0.858 nan 8.370 nan 0.000 0.426 108 A N 0.276 123.124 122.820 0.046 0.000 2.340 108 A HA 0.639 4.951 4.320 -0.013 0.000 0.268 108 A C -0.179 177.426 177.584 0.035 0.000 1.100 108 A CA -0.005 52.108 52.037 0.127 0.000 0.803 108 A CB 0.546 19.588 19.000 0.070 0.000 1.043 108 A HN 0.200 nan 8.150 nan 0.000 0.488 109 F N 0.546 120.592 119.950 0.161 0.000 2.556 109 F HA 0.376 4.895 4.527 -0.013 0.000 0.314 109 F C 0.299 176.153 175.800 0.091 0.000 1.106 109 F CA -0.470 57.608 58.000 0.130 0.000 0.911 109 F CB 2.198 41.285 39.000 0.144 0.000 1.190 109 F HN 0.495 nan 8.300 nan 0.000 0.448 110 Q N 3.156 123.090 119.800 0.224 0.000 2.212 110 Q HA 0.637 4.969 4.340 -0.013 0.000 0.238 110 Q C -0.767 175.329 176.000 0.161 0.000 0.955 110 Q CA -0.652 55.240 55.803 0.149 0.000 0.906 110 Q CB 2.763 31.555 28.738 0.089 0.000 1.215 110 Q HN 0.805 nan 8.270 nan 0.000 0.478 111 I N 0.079 120.715 120.570 0.111 0.000 2.690 111 I HA 0.110 4.272 4.170 -0.013 0.000 0.286 111 I C -0.440 175.714 176.117 0.062 0.000 1.313 111 I CA -0.257 61.096 61.300 0.089 0.000 1.070 111 I CB 1.490 39.543 38.000 0.088 0.000 1.323 111 I HN 0.759 nan 8.210 nan 0.000 0.432 112 S N 4.167 119.896 115.700 0.049 0.000 2.580 112 S HA 0.098 4.560 4.470 -0.013 0.000 0.266 112 S C 0.859 175.478 174.600 0.032 0.000 1.354 112 S CA 0.056 58.278 58.200 0.036 0.000 1.008 112 S CB 1.486 64.703 63.200 0.028 0.000 0.898 112 S HN 0.791 nan 8.310 nan 0.000 0.555 113 E N 0.409 120.625 120.200 0.027 0.000 2.208 113 E HA -0.082 4.260 4.350 -0.013 0.000 0.193 113 E C 1.903 178.514 176.600 0.018 0.000 0.988 113 E CA 1.406 57.821 56.400 0.025 0.000 0.828 113 E CB -0.195 29.518 29.700 0.022 0.000 0.763 113 E HN 0.873 nan 8.360 nan 0.000 0.478 114 E N -0.731 119.477 120.200 0.013 0.000 2.072 114 E HA -0.125 4.217 4.350 -0.013 0.000 0.191 114 E C 1.773 178.371 176.600 -0.003 0.000 0.985 114 E CA 1.304 57.706 56.400 0.005 0.000 0.801 114 E CB -0.047 29.655 29.700 0.003 0.000 0.750 114 E HN 0.107 nan 8.360 nan 0.000 0.452 115 S N 0.634 116.334 115.700 0.000 0.000 2.368 115 S HA -0.129 4.333 4.470 -0.013 0.000 0.225 115 S C 1.731 176.321 174.600 -0.017 0.000 1.030 115 S CA 1.215 59.407 58.200 -0.013 0.000 0.999 115 S CB -0.144 63.055 63.200 -0.001 0.000 0.844 115 S HN 0.253 nan 8.310 nan 0.000 0.459 116 K N 0.817 121.224 120.400 0.012 0.000 2.063 116 K HA -0.164 4.148 4.320 -0.013 0.000 0.208 116 K C 2.221 178.837 176.600 0.026 0.000 1.048 116 K CA 1.419 57.728 56.287 0.037 0.000 0.928 116 K CB -0.167 32.364 32.500 0.050 0.000 0.713 116 K HN 0.167 nan 8.250 nan 0.000 0.442 117 E N 1.498 121.705 120.200 0.011 0.000 2.051 117 E HA -0.141 4.201 4.350 -0.013 0.000 0.192 117 E C 1.505 178.093 176.600 -0.021 0.000 0.991 117 E CA 1.574 57.977 56.400 0.006 0.000 0.799 117 E CB 0.111 29.813 29.700 0.004 0.000 0.748 117 E HN 0.152 nan 8.360 nan 0.000 0.449 118 K N -0.221 120.153 120.400 -0.044 0.000 2.283 118 K HA -0.009 4.303 4.320 -0.013 0.000 0.202 118 K C 1.973 178.488 176.600 -0.142 0.000 1.048 118 K CA 0.729 56.972 56.287 -0.073 0.000 0.948 118 K CB -0.041 32.419 32.500 -0.067 0.000 0.742 118 K HN 0.207 nan 8.250 nan 0.000 0.458 119 L N 0.843 121.943 121.223 -0.206 0.000 2.395 119 L HA -0.088 4.244 4.340 -0.013 0.000 0.218 119 L C 1.967 178.493 176.870 -0.573 0.000 1.130 119 L CA 0.705 55.246 54.840 -0.498 0.000 0.826 119 L CB -0.237 41.450 42.059 -0.619 0.000 0.941 119 L HN 0.116 nan 8.230 nan 0.000 0.451 120 K N 0.065 120.373 120.400 -0.154 0.000 2.044 120 K HA -0.245 4.067 4.320 -0.013 0.000 0.210 120 K C 1.749 178.362 176.600 0.022 0.000 1.049 120 K CA 1.725 58.040 56.287 0.048 0.000 0.927 120 K CB -0.194 32.346 32.500 0.067 0.000 0.713 120 K HN 0.265 nan 8.250 nan 0.000 0.443 121 D N 0.440 120.820 120.400 -0.034 0.000 2.144 121 D HA -0.109 4.523 4.640 -0.013 0.000 0.200 121 D C 1.892 178.209 176.300 0.028 0.000 0.978 121 D CA 0.793 54.795 54.000 0.003 0.000 0.833 121 D CB 0.239 41.027 40.800 -0.021 0.000 0.961 121 D HN -0.074 nan 8.370 nan 0.000 0.470 122 V N 0.611 120.479 119.914 -0.077 0.000 2.261 122 V HA -0.248 3.864 4.120 -0.013 0.000 0.246 122 V C 2.333 178.539 176.094 0.187 0.000 1.047 122 V CA 1.464 63.777 62.300 0.023 0.000 1.015 122 V CB -0.842 30.838 31.823 -0.238 0.000 0.642 122 V HN 0.194 nan 8.190 nan 0.000 0.446 123 F N 0.272 120.306 119.950 0.140 0.000 2.161 123 F HA -0.203 4.316 4.527 -0.013 0.000 0.300 123 F C 2.591 178.457 175.800 0.110 0.000 1.089 123 F CA 1.750 59.811 58.000 0.102 0.000 1.282 123 F CB -0.208 38.806 39.000 0.024 0.000 1.010 123 F HN 0.191 nan 8.300 nan 0.000 0.485 124 E N -0.137 120.225 120.200 0.269 0.000 2.047 124 E HA -0.272 4.070 4.350 -0.013 0.000 0.191 124 E C 2.097 178.769 176.600 0.121 0.000 0.987 124 E CA 1.245 57.744 56.400 0.165 0.000 0.799 124 E CB -0.322 29.453 29.700 0.124 0.000 0.752 124 E HN 0.497 nan 8.360 nan 0.000 0.449 125 Y N -0.496 119.809 120.300 0.009 0.000 2.163 125 Y HA -0.177 4.365 4.550 -0.013 0.000 0.288 125 Y C 1.243 177.029 175.900 -0.189 0.000 1.136 125 Y CA 1.673 59.690 58.100 -0.138 0.000 1.147 125 Y CB -0.469 37.825 38.460 -0.276 0.000 0.987 125 Y HN 0.105 nan 8.280 nan 0.000 0.509 126 W N 1.231 122.441 121.300 -0.150 0.000 2.961 126 W HA 0.020 4.672 4.660 -0.014 0.000 0.240 126 W C 0.446 176.872 176.519 -0.155 0.000 1.305 126 W CA 0.292 57.503 57.345 -0.222 0.000 1.465 126 W CB -0.859 28.563 29.460 -0.063 0.000 1.135 126 W HN 0.028 nan 8.180 nan 0.000 0.688 127 N N 0.868 119.585 118.700 0.029 0.000 2.417 127 N HA 0.189 4.921 4.740 -0.013 0.000 0.272 127 N C 1.169 176.669 175.510 -0.016 0.000 1.304 127 N CA 1.752 54.821 53.050 0.033 0.000 0.906 127 N CB 0.328 38.827 38.487 0.020 0.000 1.135 127 N HN 0.232 nan 8.380 nan 0.000 0.483 128 G N 3.302 112.117 108.800 0.025 0.000 2.179 128 G HA2 -0.306 3.646 3.960 -0.013 0.000 0.260 128 G HA3 -0.306 3.646 3.960 -0.013 0.000 0.260 128 G C 0.603 175.509 174.900 0.008 0.000 0.977 128 G CA 0.563 45.668 45.100 0.009 0.000 0.641 128 G HN 0.648 nan 8.290 nan 0.000 0.533 129 K N 0.701 121.120 120.400 0.030 0.000 2.373 129 K HA 0.214 4.526 4.320 -0.013 0.000 0.202 129 K C 1.251 177.988 176.600 0.228 0.000 1.025 129 K CA 0.619 56.946 56.287 0.067 0.000 1.115 129 K CB 0.683 33.109 32.500 -0.122 0.000 0.858 129 K HN 0.565 nan 8.250 nan 0.000 0.525 130 T N -1.636 113.023 114.554 0.175 0.000 2.847 130 T HA 0.056 4.398 4.350 -0.013 0.000 0.279 130 T C 1.679 176.404 174.700 0.041 0.000 0.984 130 T CA -0.328 61.835 62.100 0.104 0.000 0.988 130 T CB 1.422 70.317 68.868 0.046 0.000 1.040 130 T HN 0.119 nan 8.240 nan 0.000 0.528 131 T N -1.105 113.446 114.554 -0.004 0.000 2.812 131 T HA -0.126 4.215 4.350 -0.013 0.000 0.264 131 T C 2.292 176.904 174.700 -0.146 0.000 1.042 131 T CA 1.276 63.339 62.100 -0.062 0.000 1.140 131 T CB -1.132 67.639 68.868 -0.162 0.000 0.870 131 T HN 0.785 nan 8.240 nan 0.000 0.445 132 S N 2.144 117.688 115.700 -0.260 0.000 2.400 132 S HA -0.183 4.279 4.470 -0.013 0.000 0.232 132 S C 1.951 176.358 174.600 -0.321 0.000 1.025 132 S CA 1.299 59.116 58.200 -0.638 0.000 0.993 132 S CB -0.637 62.025 63.200 -0.896 0.000 0.808 132 S HN 0.721 nan 8.310 nan 0.000 0.478 133 E N 0.623 120.761 120.200 -0.104 0.000 2.158 133 E HA 0.054 4.396 4.350 -0.013 0.000 0.191 133 E C 1.988 178.605 176.600 0.028 0.000 0.982 133 E CA 0.827 57.231 56.400 0.006 0.000 0.823 133 E CB -0.244 29.473 29.700 0.028 0.000 0.766 133 E HN 0.436 nan 8.360 nan 0.000 0.468 134 L N 0.944 122.183 121.223 0.027 0.000 2.109 134 L HA -0.000 4.332 4.340 -0.013 0.000 0.207 134 L C 2.173 179.132 176.870 0.148 0.000 1.086 134 L CA 1.552 56.422 54.840 0.050 0.000 0.760 134 L CB -0.477 41.640 42.059 0.096 0.000 0.910 134 L HN 0.022 nan 8.230 nan 0.000 0.437 135 A N -1.229 121.689 122.820 0.163 0.000 1.883 135 A HA -0.240 4.072 4.320 -0.013 0.000 0.217 135 A C 2.280 180.035 177.584 0.286 0.000 1.186 135 A CA 2.497 54.691 52.037 0.263 0.000 0.624 135 A CB -1.312 17.819 19.000 0.218 0.000 0.822 135 A HN 0.489 nan 8.150 nan 0.000 0.444 136 T N 0.201 114.911 114.554 0.261 0.000 2.720 136 T HA -0.124 4.218 4.350 -0.013 0.000 0.268 136 T C 2.217 177.001 174.700 0.139 0.000 1.037 136 T CA 1.755 63.990 62.100 0.226 0.000 1.144 136 T CB -0.366 68.631 68.868 0.216 0.000 0.864 136 T HN 0.503 nan 8.240 nan 0.000 0.444 137 S N 0.206 115.951 115.700 0.074 0.000 2.399 137 S HA -0.072 4.390 4.470 -0.013 0.000 0.231 137 S C 1.680 176.259 174.600 -0.034 0.000 1.022 137 S CA 0.969 59.156 58.200 -0.023 0.000 0.983 137 S CB -0.450 62.674 63.200 -0.127 0.000 0.803 137 S HN 0.594 nan 8.310 nan 0.000 0.480 138 Y N 1.032 121.377 120.300 0.075 0.000 2.373 138 Y HA 0.154 4.696 4.550 -0.014 0.000 0.293 138 Y C 1.145 177.089 175.900 0.074 0.000 1.129 138 Y CA 0.078 58.221 58.100 0.070 0.000 1.226 138 Y CB -0.148 38.358 38.460 0.077 0.000 1.000 138 Y HN 0.188 nan 8.280 nan 0.000 0.549 139 M N 0.637 120.377 119.600 0.234 0.000 2.243 139 M HA 0.067 4.539 4.480 -0.013 0.000 0.341 139 M C 0.731 177.106 176.300 0.124 0.000 1.130 139 M CA -0.013 55.390 55.300 0.172 0.000 1.162 139 M CB 0.618 33.312 32.600 0.156 0.000 1.497 139 M HN 0.111 nan 8.290 nan 0.000 0.456 140 T N -1.463 113.157 114.554 0.110 0.000 2.788 140 T HA 0.179 4.521 4.350 -0.013 0.000 0.287 140 T C 0.813 175.549 174.700 0.060 0.000 1.007 140 T CA -0.691 61.459 62.100 0.083 0.000 1.005 140 T CB 0.851 69.772 68.868 0.088 0.000 1.012 140 T HN 0.716 nan 8.240 nan 0.000 0.530 141 E N 0.104 120.329 120.200 0.043 0.000 2.110 141 E HA -0.175 4.167 4.350 -0.013 0.000 0.193 141 E C 2.040 178.639 176.600 -0.001 0.000 0.988 141 E CA 1.211 57.625 56.400 0.023 0.000 0.804 141 E CB -0.070 29.642 29.700 0.021 0.000 0.745 141 E HN 0.902 nan 8.360 nan 0.000 0.458 142 E N 0.459 120.656 120.200 -0.004 0.000 2.110 142 E HA -0.169 4.173 4.350 -0.013 0.000 0.193 142 E C 1.754 178.212 176.600 -0.237 0.000 0.988 142 E CA 1.473 57.830 56.400 -0.072 0.000 0.804 142 E CB 0.135 29.834 29.700 -0.001 0.000 0.745 142 E HN 0.086 nan 8.360 nan 0.000 0.458 143 T N 0.274 114.755 114.554 -0.122 0.000 2.857 143 T HA -0.051 4.291 4.350 -0.013 0.000 0.266 143 T C 1.753 176.444 174.700 -0.016 0.000 1.048 143 T CA 0.991 63.045 62.100 -0.076 0.000 1.139 143 T CB -0.121 68.835 68.868 0.147 0.000 0.874 143 T HN 0.180 nan 8.240 nan 0.000 0.455 144 R N 1.000 121.501 120.500 0.002 0.000 2.105 144 R HA -0.062 4.270 4.340 -0.013 0.000 0.239 144 R C 2.492 178.773 176.300 -0.032 0.000 1.135 144 R CA 1.275 57.377 56.100 0.004 0.000 0.967 144 R CB -0.149 30.161 30.300 0.016 0.000 0.861 144 R HN 0.536 nan 8.270 nan 0.000 0.442 145 E N 0.439 120.610 120.200 -0.049 0.000 2.047 145 E HA -0.133 4.209 4.350 -0.013 0.000 0.191 145 E C 2.113 178.680 176.600 -0.056 0.000 0.987 145 E CA 1.023 57.393 56.400 -0.050 0.000 0.799 145 E CB -0.110 29.566 29.700 -0.040 0.000 0.752 145 E HN 0.342 nan 8.360 nan 0.000 0.449 146 A N 1.164 123.943 122.820 -0.067 0.000 1.978 146 A HA -0.150 4.162 4.320 -0.013 0.000 0.220 146 A C 2.440 179.921 177.584 -0.173 0.000 1.170 146 A CA 1.103 53.158 52.037 0.030 0.000 0.636 146 A CB -0.596 18.418 19.000 0.024 0.000 0.810 146 A HN 0.117 nan 8.150 nan 0.000 0.448 147 V N 0.807 120.622 119.914 -0.166 0.000 2.759 147 V HA -0.136 3.976 4.120 -0.013 0.000 0.256 147 V C 0.942 176.839 176.094 -0.329 0.000 1.080 147 V CA 1.643 63.743 62.300 -0.332 0.000 1.101 147 V CB -0.668 31.116 31.823 -0.066 0.000 0.698 147 V HN 0.584 nan 8.190 nan 0.000 0.477 148 N N -1.553 117.024 118.700 -0.206 0.000 2.389 148 N HA 0.133 4.865 4.740 -0.013 0.000 0.260 148 N C 0.530 175.946 175.510 -0.157 0.000 1.191 148 N CA 0.084 53.043 53.050 -0.153 0.000 0.885 148 N CB 0.704 39.141 38.487 -0.084 0.000 1.162 148 N HN 0.355 nan 8.380 nan 0.000 0.512 149 C N 0.106 119.273 119.300 -0.221 0.000 2.906 149 C HA 0.126 4.578 4.460 -0.013 0.000 0.274 149 C C 0.481 175.295 174.990 -0.293 0.000 1.257 149 C CA -0.360 58.536 59.018 -0.203 0.000 1.695 149 C CB -0.637 27.031 27.740 -0.119 0.000 1.958 149 C HN 0.418 nan 8.230 nan 0.000 0.619 150 D N -0.026 120.182 120.400 -0.319 0.000 2.800 150 D HA -0.123 4.509 4.640 -0.013 0.000 0.232 150 D C 0.765 176.752 176.300 -0.522 0.000 1.137 150 D CA 0.804 54.600 54.000 -0.340 0.000 0.718 150 D CB -1.163 39.471 40.800 -0.276 0.000 1.084 150 D HN 0.358 nan 8.370 nan 0.000 0.432 151 V N -1.138 118.394 119.914 -0.636 0.000 2.908 151 V HA 0.195 4.307 4.120 -0.013 0.000 0.240 151 V C 0.543 176.194 176.094 -0.740 0.000 1.117 151 V CA 1.267 63.079 62.300 -0.814 0.000 1.133 151 V CB 0.147 31.375 31.823 -0.992 0.000 0.857 151 V HN 0.299 nan 8.190 nan 0.000 0.478 152 F N -1.651 118.065 119.950 -0.391 0.000 2.685 152 F HA 0.790 5.309 4.527 -0.013 0.000 0.315 152 F C -0.830 175.034 175.800 0.107 0.000 1.126 152 F CA -0.881 57.053 58.000 -0.110 0.000 0.950 152 F CB 1.669 40.684 39.000 0.026 0.000 1.360 152 F HN -0.246 nan 8.300 nan 0.000 0.469 153 T N 0.935 115.807 114.554 0.530 0.000 2.921 153 T HA 0.534 4.876 4.350 -0.013 0.000 0.297 153 T C -0.593 174.333 174.700 0.377 0.000 1.013 153 T CA -0.159 62.169 62.100 0.380 0.000 0.990 153 T CB 1.359 70.435 68.868 0.348 0.000 1.023 153 T HN 1.428 nan 8.240 nan 0.000 0.447 154 V N 2.811 122.900 119.914 0.291 0.000 3.043 154 V HA 0.537 4.649 4.120 -0.013 0.000 0.357 154 V C 1.674 177.841 176.094 0.121 0.000 1.372 154 V CA 0.581 62.988 62.300 0.178 0.000 1.214 154 V CB -0.072 31.878 31.823 0.211 0.000 1.224 154 V HN 0.859 nan 8.190 nan 0.000 0.507 155 G N 1.234 110.150 108.800 0.193 0.000 2.443 155 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.219 155 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.219 155 G C 1.269 176.364 174.900 0.325 0.000 1.131 155 G CA 0.953 46.225 45.100 0.288 0.000 0.775 155 G HN 0.538 nan 8.290 nan 0.000 0.547 156 N N 0.636 119.456 118.700 0.200 0.000 2.011 156 N HA -0.191 4.541 4.740 -0.013 0.000 0.199 156 N C 1.706 177.237 175.510 0.035 0.000 1.047 156 N CA 1.562 54.654 53.050 0.070 0.000 0.863 156 N CB -0.558 37.800 38.487 -0.214 0.000 1.056 156 N HN 0.560 nan 8.380 nan 0.000 0.427 157 Y N -2.008 118.194 120.300 -0.163 0.000 2.490 157 Y HA -0.011 4.530 4.550 -0.014 0.000 0.281 157 Y C 1.405 177.314 175.900 0.015 0.000 1.174 157 Y CA -0.378 57.564 58.100 -0.263 0.000 1.295 157 Y CB 0.053 38.126 38.460 -0.645 0.000 1.062 157 Y HN 0.177 nan 8.280 nan 0.000 0.522 158 Y N -0.744 119.585 120.300 0.047 0.000 2.231 158 Y HA -0.180 4.362 4.550 -0.014 0.000 0.294 158 Y C 1.411 177.237 175.900 -0.123 0.000 1.120 158 Y CA 1.333 59.391 58.100 -0.070 0.000 1.141 158 Y CB -0.441 37.882 38.460 -0.229 0.000 1.022 158 Y HN 0.044 nan 8.280 nan 0.000 0.523 159 Y N 0.068 120.484 120.300 0.193 0.000 2.490 159 Y HA 0.095 4.638 4.550 -0.013 0.000 0.285 159 Y C 0.661 176.621 175.900 0.100 0.000 1.117 159 Y CA 0.231 58.398 58.100 0.110 0.000 1.262 159 Y CB 0.192 38.664 38.460 0.019 0.000 1.043 159 Y HN 0.048 nan 8.280 nan 0.000 0.553 160 N N -1.498 117.264 118.700 0.103 0.000 3.278 160 N HA 0.270 5.002 4.740 -0.013 0.000 0.307 160 N C -0.174 174.889 175.510 -0.745 0.000 1.551 160 N CA -0.274 52.687 53.050 -0.149 0.000 0.794 160 N CB 0.497 38.935 38.487 -0.082 0.000 1.770 160 N HN 0.079 nan 8.380 nan 0.000 0.612 161 G N -0.216 107.905 108.800 -1.132 0.000 2.716 161 G HA2 0.314 4.266 3.960 -0.013 0.000 0.251 161 G HA3 0.314 4.266 3.960 -0.013 0.000 0.251 161 G C 0.955 175.385 174.900 -0.783 0.000 1.224 161 G CA -0.286 44.078 45.100 -1.228 0.000 0.891 161 G HN 0.202 nan 8.290 nan 0.000 0.561 162 V N 1.396 120.787 119.914 -0.871 0.000 2.326 162 V HA 0.317 4.429 4.120 -0.013 0.000 0.237 162 V C 2.443 178.176 176.094 -0.602 0.000 1.044 162 V CA 1.952 63.558 62.300 -1.157 0.000 1.035 162 V CB -1.609 29.438 31.823 -1.292 0.000 0.675 162 V HN 1.620 nan 8.190 nan 0.000 0.470 163 G N -0.464 108.104 108.800 -0.388 0.000 2.583 163 G HA2 -0.354 3.598 3.960 -0.013 0.000 0.292 163 G HA3 -0.354 3.598 3.960 -0.013 0.000 0.292 163 G C 0.125 174.995 174.900 -0.052 0.000 1.203 163 G CA 0.431 45.409 45.100 -0.204 0.000 0.987 163 G HN 0.946 nan 8.290 nan 0.000 0.554 164 H N -1.718 117.278 119.070 -0.123 0.000 2.592 164 H HA 0.034 4.582 4.556 -0.013 0.000 0.323 164 H C 0.170 175.572 175.328 0.124 0.000 1.117 164 H CA 1.242 57.306 56.048 0.027 0.000 1.120 164 H CB -1.832 27.969 29.762 0.065 0.000 1.561 164 H HN 1.564 nan 8.280 nan 0.000 0.409 165 V N 0.228 120.219 119.914 0.128 0.000 3.120 165 V HA 0.535 4.647 4.120 -0.013 0.000 0.303 165 V C -0.996 175.174 176.094 0.126 0.000 1.238 165 V CA -0.199 62.186 62.300 0.142 0.000 1.008 165 V CB 2.737 34.605 31.823 0.074 0.000 1.064 165 V HN 0.307 nan 8.190 nan 0.000 0.434 166 S N 4.093 119.881 115.700 0.148 0.000 2.667 166 S HA 0.570 5.032 4.470 -0.013 0.000 0.304 166 S C -0.470 174.178 174.600 0.080 0.000 1.135 166 S CA -0.299 58.021 58.200 0.200 0.000 1.125 166 S CB 0.972 64.326 63.200 0.257 0.000 0.996 166 S HN 0.927 nan 8.310 nan 0.000 0.474 167 V N 3.096 122.934 119.914 -0.126 0.000 3.566 167 V HA 0.085 4.197 4.120 -0.013 0.000 0.301 167 V C 0.749 176.663 176.094 -0.300 0.000 1.105 167 V CA 0.240 62.346 62.300 -0.323 0.000 1.142 167 V CB 0.779 32.242 31.823 -0.601 0.000 1.107 167 V HN 0.882 nan 8.190 nan 0.000 0.481 168 D N 1.182 121.432 120.400 -0.250 0.000 2.631 168 D HA 0.123 4.755 4.640 -0.013 0.000 0.227 168 D C 0.726 176.911 176.300 -0.193 0.000 1.146 168 D CA 0.109 54.027 54.000 -0.136 0.000 1.009 168 D CB -0.312 40.444 40.800 -0.073 0.000 1.057 168 D HN 0.513 nan 8.370 nan 0.000 0.509 169 Y N 0.825 121.003 120.300 -0.203 0.000 2.114 169 Y HA -0.190 4.352 4.550 -0.013 0.000 0.282 169 Y C 2.603 178.322 175.900 -0.302 0.000 1.165 169 Y CA 1.496 59.428 58.100 -0.280 0.000 1.148 169 Y CB -0.522 37.684 38.460 -0.425 0.000 0.972 169 Y HN 0.379 nan 8.280 nan 0.000 0.504 170 G N -0.108 108.565 108.800 -0.211 0.000 2.469 170 G HA2 -0.371 3.581 3.960 -0.013 0.000 0.219 170 G HA3 -0.371 3.581 3.960 -0.013 0.000 0.219 170 G C 1.663 176.588 174.900 0.042 0.000 1.150 170 G CA 1.380 46.467 45.100 -0.022 0.000 0.763 170 G HN 0.385 nan 8.290 nan 0.000 0.561 171 K N -0.044 120.357 120.400 0.000 0.000 2.026 171 K HA -0.030 4.282 4.320 -0.013 0.000 0.208 171 K C 2.562 179.147 176.600 -0.025 0.000 1.048 171 K CA 1.353 57.641 56.287 0.001 0.000 0.929 171 K CB -0.239 32.250 32.500 -0.019 0.000 0.713 171 K HN 0.200 nan 8.250 nan 0.000 0.439 172 V N 1.851 121.719 119.914 -0.077 0.000 2.515 172 V HA -0.215 3.897 4.120 -0.013 0.000 0.250 172 V C 2.240 178.252 176.094 -0.135 0.000 1.058 172 V CA 1.355 63.567 62.300 -0.148 0.000 1.064 172 V CB -0.363 31.325 31.823 -0.226 0.000 0.675 172 V HN 0.322 nan 8.190 nan 0.000 0.461 173 L N -0.377 120.812 121.223 -0.057 0.000 2.141 173 L HA -0.123 4.209 4.340 -0.013 0.000 0.209 173 L C 2.692 179.590 176.870 0.047 0.000 1.094 173 L CA 1.541 56.345 54.840 -0.060 0.000 0.763 173 L CB -0.478 41.524 42.059 -0.095 0.000 0.908 173 L HN 0.274 nan 8.230 nan 0.000 0.437 174 R N 0.250 120.819 120.500 0.115 0.000 2.080 174 R HA -0.080 4.252 4.340 -0.013 0.000 0.222 174 R C 1.911 178.255 176.300 0.073 0.000 1.107 174 R CA 1.558 57.749 56.100 0.152 0.000 0.980 174 R CB 0.197 30.577 30.300 0.134 0.000 0.879 174 R HN 0.342 nan 8.270 nan 0.000 0.439 175 V N -2.445 117.482 119.914 0.023 0.000 3.643 175 V HA 0.428 4.540 4.120 -0.013 0.000 0.280 175 V C 0.711 176.792 176.094 -0.022 0.000 1.351 175 V CA 0.196 62.502 62.300 0.010 0.000 1.073 175 V CB -0.172 31.658 31.823 0.011 0.000 0.863 175 V HN 0.483 nan 8.190 nan 0.000 0.436 176 G N 0.549 109.296 108.800 -0.088 0.000 2.894 176 G HA2 -0.286 3.666 3.960 -0.013 0.000 0.247 176 G HA3 -0.286 3.666 3.960 -0.013 0.000 0.247 176 G C -0.043 174.759 174.900 -0.163 0.000 1.442 176 G CA 0.302 45.295 45.100 -0.178 0.000 0.897 176 G HN 0.366 nan 8.290 nan 0.000 0.550 177 F N 0.164 120.144 119.950 0.050 0.000 2.269 177 F HA -0.109 4.410 4.527 -0.014 0.000 0.301 177 F C 2.690 178.509 175.800 0.033 0.000 1.082 177 F CA 1.385 59.414 58.000 0.049 0.000 1.360 177 F CB -0.093 38.946 39.000 0.065 0.000 1.041 177 F HN 0.393 nan 8.300 nan 0.000 0.512 178 N N 0.439 119.247 118.700 0.180 0.000 2.244 178 N HA -0.106 4.626 4.740 -0.013 0.000 0.183 178 N C 2.201 177.758 175.510 0.077 0.000 1.016 178 N CA 1.213 54.331 53.050 0.112 0.000 0.866 178 N CB -0.884 37.653 38.487 0.082 0.000 0.980 178 N HN 0.355 nan 8.380 nan 0.000 0.430 179 G N 1.879 110.713 108.800 0.058 0.000 2.421 179 G HA2 -0.151 3.801 3.960 -0.013 0.000 0.216 179 G HA3 -0.151 3.801 3.960 -0.013 0.000 0.216 179 G C 1.486 176.410 174.900 0.040 0.000 1.171 179 G CA 0.291 45.414 45.100 0.038 0.000 0.775 179 G HN 0.155 nan 8.290 nan 0.000 0.543 180 I N 1.152 121.754 120.570 0.053 0.000 2.226 180 I HA -0.106 4.056 4.170 -0.013 0.000 0.245 180 I C 2.801 178.948 176.117 0.050 0.000 1.100 180 I CA 0.846 62.176 61.300 0.050 0.000 1.374 180 I CB -1.017 37.033 38.000 0.082 0.000 1.057 180 I HN 0.192 nan 8.210 nan 0.000 0.413 181 I N 0.959 121.571 120.570 0.070 0.000 2.179 181 I HA -0.308 3.854 4.170 -0.013 0.000 0.242 181 I C 2.217 178.355 176.117 0.034 0.000 1.088 181 I CA 1.229 62.557 61.300 0.047 0.000 1.357 181 I CB -0.476 37.558 38.000 0.056 0.000 1.051 181 I HN 0.271 nan 8.210 nan 0.000 0.409 182 N N 0.558 119.281 118.700 0.039 0.000 2.223 182 N HA -0.217 4.515 4.740 -0.013 0.000 0.185 182 N C 1.746 177.274 175.510 0.030 0.000 1.016 182 N CA 1.163 54.232 53.050 0.032 0.000 0.863 182 N CB -0.247 38.260 38.487 0.032 0.000 0.983 182 N HN 0.462 nan 8.380 nan 0.000 0.429 183 E N 0.581 120.799 120.200 0.030 0.000 2.072 183 E HA -0.046 4.296 4.350 -0.013 0.000 0.191 183 E C 1.793 178.413 176.600 0.034 0.000 0.985 183 E CA 0.890 57.308 56.400 0.029 0.000 0.801 183 E CB 0.033 29.749 29.700 0.026 0.000 0.750 183 E HN 0.312 nan 8.360 nan 0.000 0.452 184 A N 1.175 124.012 122.820 0.027 0.000 1.930 184 A HA -0.171 4.141 4.320 -0.013 0.000 0.217 184 A C 1.993 179.598 177.584 0.036 0.000 1.175 184 A CA 1.368 53.419 52.037 0.025 0.000 0.627 184 A CB -0.278 18.714 19.000 -0.013 0.000 0.815 184 A HN 0.101 nan 8.150 nan 0.000 0.443 185 K N -0.413 120.006 120.400 0.031 0.000 2.097 185 K HA -0.134 4.178 4.320 -0.013 0.000 0.205 185 K C 1.949 178.576 176.600 0.045 0.000 1.050 185 K CA 1.482 57.790 56.287 0.036 0.000 0.938 185 K CB -0.127 32.390 32.500 0.029 0.000 0.718 185 K HN 0.614 nan 8.250 nan 0.000 0.442 186 E N 0.376 120.600 120.200 0.040 0.000 2.072 186 E HA -0.169 4.173 4.350 -0.013 0.000 0.191 186 E C 2.191 178.820 176.600 0.048 0.000 0.985 186 E CA 0.768 57.190 56.400 0.037 0.000 0.801 186 E CB 0.156 29.874 29.700 0.030 0.000 0.750 186 E HN 0.208 nan 8.360 nan 0.000 0.452 187 Q N 0.409 120.246 119.800 0.062 0.000 2.084 187 Q HA -0.166 4.166 4.340 -0.013 0.000 0.202 187 Q C 2.302 178.378 176.000 0.127 0.000 0.978 187 Q CA 0.839 56.693 55.803 0.086 0.000 0.844 187 Q CB -0.352 28.446 28.738 0.100 0.000 0.898 187 Q HN 0.219 nan 8.270 nan 0.000 0.426 188 L N 1.109 122.416 121.223 0.141 0.000 2.079 188 L HA -0.196 4.136 4.340 -0.013 0.000 0.210 188 L C 2.168 179.129 176.870 0.151 0.000 1.081 188 L CA 1.867 56.837 54.840 0.217 0.000 0.752 188 L CB -0.487 41.664 42.059 0.155 0.000 0.896 188 L HN 0.143 nan 8.230 nan 0.000 0.433 189 E N -1.027 119.216 120.200 0.071 0.000 2.051 189 E HA -0.137 4.205 4.350 -0.013 0.000 0.189 189 E C 2.113 178.698 176.600 -0.025 0.000 0.979 189 E CA 0.936 57.346 56.400 0.017 0.000 0.803 189 E CB 0.059 29.768 29.700 0.016 0.000 0.761 189 E HN 0.185 nan 8.360 nan 0.000 0.451 190 K N 0.789 121.186 120.400 -0.004 0.000 1.969 190 K HA -0.096 4.216 4.320 -0.013 0.000 0.216 190 K C 1.606 178.166 176.600 -0.067 0.000 1.048 190 K CA 1.400 57.674 56.287 -0.022 0.000 0.948 190 K CB -0.854 31.649 32.500 0.006 0.000 0.726 190 K HN 0.193 nan 8.250 nan 0.000 0.442 191 N N 1.722 120.398 118.700 -0.040 0.000 2.609 191 N HA -0.104 4.628 4.740 -0.013 0.000 0.190 191 N C 0.597 175.802 175.510 -0.508 0.000 1.157 191 N CA 0.115 53.106 53.050 -0.099 0.000 0.918 191 N CB -0.225 38.334 38.487 0.120 0.000 0.978 191 N HN 0.175 nan 8.380 nan 0.000 0.448 192 R N 1.189 121.337 120.500 -0.586 0.000 2.504 192 R HA 0.033 4.365 4.340 -0.013 0.000 0.291 192 R C -0.129 175.742 176.300 -0.714 0.000 0.974 192 R CA 0.441 55.963 56.100 -0.964 0.000 1.077 192 R CB 0.229 30.286 30.300 -0.405 0.000 0.926 192 R HN -0.016 nan 8.270 nan 0.000 0.407 193 S N 2.992 118.207 115.700 -0.809 0.000 2.611 193 S HA 0.260 4.722 4.470 -0.013 0.000 0.268 193 S C 0.372 174.883 174.600 -0.149 0.000 1.156 193 S CA -0.733 57.266 58.200 -0.335 0.000 0.817 193 S CB 0.721 63.783 63.200 -0.230 0.000 1.122 193 S HN 0.658 nan 8.310 nan 0.000 0.466 194 I N -0.558 119.976 120.570 -0.060 0.000 3.793 194 I HA 0.396 4.558 4.170 -0.013 0.000 0.315 194 I C 0.414 176.551 176.117 0.032 0.000 1.275 194 I CA -0.145 61.156 61.300 0.001 0.000 1.214 194 I CB -0.138 37.858 38.000 -0.007 0.000 1.018 194 I HN 0.412 nan 8.210 nan 0.000 0.439 195 D N 3.341 123.762 120.400 0.034 0.000 2.383 195 D HA 0.096 4.728 4.640 -0.013 0.000 0.252 195 D C -1.460 174.901 176.300 0.102 0.000 1.166 195 D CA -1.602 52.431 54.000 0.054 0.000 0.879 195 D CB 1.792 42.620 40.800 0.047 0.000 1.164 195 D HN -0.009 nan 8.370 nan 0.000 0.462 196 P HA -0.130 nan 4.420 nan 0.000 0.216 196 P C 0.829 178.175 177.300 0.077 0.000 1.150 196 P CA 0.779 63.921 63.100 0.069 0.000 0.843 196 P CB 0.295 32.019 31.700 0.039 0.000 0.787 197 D N -1.651 118.794 120.400 0.076 0.000 2.228 197 D HA -0.183 4.449 4.640 -0.013 0.000 0.203 197 D C 1.601 177.961 176.300 0.100 0.000 0.988 197 D CA 0.912 54.952 54.000 0.066 0.000 0.864 197 D CB -0.561 40.274 40.800 0.058 0.000 0.928 197 D HN 0.227 nan 8.370 nan 0.000 0.469 198 F N 1.160 121.113 119.950 0.005 0.000 2.293 198 F HA -0.097 4.421 4.527 -0.014 0.000 0.300 198 F C 2.116 177.928 175.800 0.020 0.000 1.086 198 F CA 0.577 58.585 58.000 0.013 0.000 1.375 198 F CB -0.021 38.985 39.000 0.011 0.000 1.045 198 F HN -0.144 nan 8.300 nan 0.000 0.516 199 I N 0.695 121.216 120.570 -0.082 0.000 2.118 199 I HA -0.378 3.784 4.170 -0.013 0.000 0.241 199 I C 2.273 178.267 176.117 -0.204 0.000 1.070 199 I CA 1.776 62.982 61.300 -0.156 0.000 1.327 199 I CB -0.524 37.456 38.000 -0.034 0.000 1.034 199 I HN 0.096 nan 8.210 nan 0.000 0.405 200 K N 0.609 120.936 120.400 -0.121 0.000 2.155 200 K HA -0.113 4.199 4.320 -0.013 0.000 0.203 200 K C 2.068 178.613 176.600 -0.091 0.000 1.052 200 K CA 0.931 57.168 56.287 -0.084 0.000 0.948 200 K CB -0.043 32.431 32.500 -0.043 0.000 0.728 200 K HN 0.315 nan 8.250 nan 0.000 0.448 201 K N 0.964 121.275 120.400 -0.150 0.000 2.148 201 K HA -0.162 4.150 4.320 -0.013 0.000 0.204 201 K C 2.059 178.554 176.600 -0.175 0.000 1.050 201 K CA 1.000 57.232 56.287 -0.093 0.000 0.942 201 K CB 0.065 32.541 32.500 -0.041 0.000 0.724 201 K HN 0.225 nan 8.250 nan 0.000 0.446 202 E N 1.179 121.065 120.200 -0.523 0.000 2.072 202 E HA -0.174 4.168 4.350 -0.013 0.000 0.191 202 E C 1.599 178.080 176.600 -0.198 0.000 0.985 202 E CA 0.988 57.091 56.400 -0.495 0.000 0.801 202 E CB 0.298 29.549 29.700 -0.749 0.000 0.750 202 E HN 0.023 nan 8.360 nan 0.000 0.452 203 K N 0.367 120.679 120.400 -0.146 0.000 2.097 203 K HA -0.165 4.147 4.320 -0.013 0.000 0.206 203 K C 1.944 178.532 176.600 -0.020 0.000 1.049 203 K CA 0.901 57.147 56.287 -0.068 0.000 0.933 203 K CB -0.726 31.748 32.500 -0.044 0.000 0.717 203 K HN 0.219 nan 8.250 nan 0.000 0.442 204 F N 1.785 121.679 119.950 -0.092 0.000 2.084 204 F HA -0.116 4.403 4.527 -0.012 0.000 0.296 204 F C 1.982 177.758 175.800 -0.040 0.000 1.111 204 F CA 1.172 59.140 58.000 -0.054 0.000 1.224 204 F CB -0.378 38.592 39.000 -0.051 0.000 0.991 204 F HN -0.138 nan 8.300 nan 0.000 0.471 205 L N 0.249 121.376 121.223 -0.161 0.000 2.046 205 L HA -0.267 4.065 4.340 -0.013 0.000 0.208 205 L C 2.124 178.870 176.870 -0.206 0.000 1.077 205 L CA 2.003 56.716 54.840 -0.212 0.000 0.747 205 L CB -0.995 41.055 42.059 -0.014 0.000 0.896 205 L HN 0.240 nan 8.230 nan 0.000 0.432 206 N N -0.842 117.773 118.700 -0.141 0.000 2.166 206 N HA -0.157 4.575 4.740 -0.013 0.000 0.186 206 N C 1.905 177.334 175.510 -0.134 0.000 1.019 206 N CA 1.239 54.225 53.050 -0.106 0.000 0.856 206 N CB 0.003 38.443 38.487 -0.078 0.000 0.993 206 N HN 0.180 nan 8.380 nan 0.000 0.426 207 S N 0.169 115.760 115.700 -0.181 0.000 2.382 207 S HA -0.064 4.398 4.470 -0.013 0.000 0.228 207 S C 2.132 176.611 174.600 -0.202 0.000 1.027 207 S CA 0.574 58.672 58.200 -0.170 0.000 0.991 207 S CB -0.104 63.001 63.200 -0.158 0.000 0.823 207 S HN 0.115 nan 8.310 nan 0.000 0.469 208 V N 2.063 121.776 119.914 -0.335 0.000 2.358 208 V HA -0.147 3.965 4.120 -0.013 0.000 0.246 208 V C 2.045 178.070 176.094 -0.115 0.000 1.047 208 V CA 1.452 63.590 62.300 -0.271 0.000 1.035 208 V CB -0.587 30.997 31.823 -0.397 0.000 0.658 208 V HN 0.453 nan 8.190 nan 0.000 0.452 209 I N -0.281 120.225 120.570 -0.106 0.000 2.127 209 I HA -0.281 3.881 4.170 -0.013 0.000 0.241 209 I C 2.304 178.395 176.117 -0.043 0.000 1.075 209 I CA 1.923 63.193 61.300 -0.051 0.000 1.334 209 I CB -0.368 37.606 38.000 -0.043 0.000 1.040 209 I HN 0.234 nan 8.210 nan 0.000 0.405 210 I N 0.166 120.701 120.570 -0.058 0.000 2.208 210 I HA -0.298 3.864 4.170 -0.013 0.000 0.245 210 I C 2.626 178.708 176.117 -0.058 0.000 1.097 210 I CA 1.294 62.561 61.300 -0.054 0.000 1.363 210 I CB -0.378 37.589 38.000 -0.056 0.000 1.051 210 I HN 0.180 nan 8.210 nan 0.000 0.413 211 S N 0.019 115.692 115.700 -0.044 0.000 2.356 211 S HA -0.187 4.275 4.470 -0.013 0.000 0.223 211 S C 2.112 176.683 174.600 -0.048 0.000 1.032 211 S CA 1.506 59.690 58.200 -0.028 0.000 1.005 211 S CB -0.433 62.819 63.200 0.086 0.000 0.867 211 S HN 0.496 nan 8.310 nan 0.000 0.449 212 C N 1.384 120.697 119.300 0.022 0.000 2.432 212 C HA 0.037 4.489 4.460 -0.013 0.000 0.280 212 C C 2.606 177.514 174.990 -0.136 0.000 1.353 212 C CA 0.248 59.254 59.018 -0.020 0.000 1.766 212 C CB -1.164 26.649 27.740 0.121 0.000 1.924 212 C HN 0.616 nan 8.230 nan 0.000 0.509 213 E N 0.888 121.039 120.200 -0.082 0.000 2.072 213 E HA -0.113 4.229 4.350 -0.013 0.000 0.191 213 E C 2.332 178.858 176.600 -0.123 0.000 0.985 213 E CA 1.168 57.522 56.400 -0.076 0.000 0.801 213 E CB -0.160 29.512 29.700 -0.046 0.000 0.750 213 E HN 0.620 nan 8.360 nan 0.000 0.452 214 A N 0.999 123.732 122.820 -0.145 0.000 1.972 214 A HA -0.130 4.182 4.320 -0.013 0.000 0.219 214 A C 2.311 179.753 177.584 -0.237 0.000 1.169 214 A CA 1.631 53.572 52.037 -0.160 0.000 0.635 214 A CB -0.598 18.303 19.000 -0.166 0.000 0.810 214 A HN 0.334 nan 8.150 nan 0.000 0.446 215 A N 0.003 122.583 122.820 -0.399 0.000 1.933 215 A HA -0.067 4.245 4.320 -0.013 0.000 0.218 215 A C 2.081 179.393 177.584 -0.454 0.000 1.175 215 A CA 1.471 53.139 52.037 -0.614 0.000 0.628 215 A CB -0.558 17.755 19.000 -1.144 0.000 0.814 215 A HN 0.509 nan 8.150 nan 0.000 0.444 216 I N -0.599 119.775 120.570 -0.326 0.000 2.315 216 I HA -0.197 3.965 4.170 -0.013 0.000 0.248 216 I C 2.505 178.566 176.117 -0.094 0.000 1.117 216 I CA 1.616 62.837 61.300 -0.132 0.000 1.404 216 I CB -0.628 37.351 38.000 -0.034 0.000 1.071 216 I HN 0.239 nan 8.210 nan 0.000 0.419 217 T N 0.034 114.537 114.554 -0.085 0.000 2.708 217 T HA -0.242 4.100 4.350 -0.013 0.000 0.266 217 T C 1.798 176.479 174.700 -0.032 0.000 1.037 217 T CA 1.443 63.514 62.100 -0.050 0.000 1.146 217 T CB -0.447 68.398 68.868 -0.039 0.000 0.865 217 T HN 0.305 nan 8.240 nan 0.000 0.435 218 Y N 1.972 122.171 120.300 -0.167 0.000 2.128 218 Y HA -0.201 4.341 4.550 -0.013 0.000 0.284 218 Y C 2.329 178.161 175.900 -0.112 0.000 1.154 218 Y CA 0.936 58.962 58.100 -0.124 0.000 1.149 218 Y CB -0.695 37.659 38.460 -0.176 0.000 0.976 218 Y HN -0.013 nan 8.280 nan 0.000 0.505 219 V N 0.494 120.245 119.914 -0.272 0.000 2.343 219 V HA -0.343 3.769 4.120 -0.013 0.000 0.247 219 V C 1.932 177.900 176.094 -0.211 0.000 1.051 219 V CA 2.293 64.264 62.300 -0.548 0.000 1.036 219 V CB -0.875 30.612 31.823 -0.561 0.000 0.654 219 V HN 0.457 nan 8.190 nan 0.000 0.451 220 N N -0.321 118.306 118.700 -0.122 0.000 2.223 220 N HA -0.149 4.583 4.740 -0.013 0.000 0.185 220 N C 2.033 177.507 175.510 -0.061 0.000 1.016 220 N CA 0.888 53.903 53.050 -0.059 0.000 0.863 220 N CB -0.121 38.340 38.487 -0.044 0.000 0.983 220 N HN 0.445 nan 8.380 nan 0.000 0.429 221 R N -0.339 120.096 120.500 -0.109 0.000 2.096 221 R HA -0.132 4.200 4.340 -0.013 0.000 0.235 221 R C 1.444 177.626 176.300 -0.196 0.000 1.127 221 R CA 1.162 57.165 56.100 -0.162 0.000 0.968 221 R CB -0.296 29.866 30.300 -0.230 0.000 0.861 221 R HN 0.378 nan 8.270 nan 0.000 0.440 222 Y N 0.373 120.574 120.300 -0.166 0.000 2.314 222 Y HA -0.114 4.428 4.550 -0.013 0.000 0.293 222 Y C 2.475 178.379 175.900 0.008 0.000 1.129 222 Y CA 1.087 59.162 58.100 -0.042 0.000 1.201 222 Y CB -0.282 38.239 38.460 0.101 0.000 0.999 222 Y HN 0.108 nan 8.280 nan 0.000 0.541 223 A N 0.324 123.217 122.820 0.120 0.000 1.883 223 A HA -0.234 4.078 4.320 -0.013 0.000 0.217 223 A C 2.161 179.766 177.584 0.035 0.000 1.186 223 A CA 2.013 54.098 52.037 0.081 0.000 0.624 223 A CB -0.458 18.569 19.000 0.046 0.000 0.822 223 A HN 0.410 nan 8.150 nan 0.000 0.444 224 K N -0.670 119.727 120.400 -0.005 0.000 2.025 224 K HA -0.122 4.190 4.320 -0.013 0.000 0.207 224 K C 2.171 178.755 176.600 -0.027 0.000 1.049 224 K CA 1.469 57.743 56.287 -0.021 0.000 0.933 224 K CB -0.139 32.337 32.500 -0.041 0.000 0.714 224 K HN 0.290 nan 8.250 nan 0.000 0.438 225 K N 1.522 121.886 120.400 -0.059 0.000 2.103 225 K HA -0.113 4.199 4.320 -0.013 0.000 0.207 225 K C 1.862 178.457 176.600 -0.009 0.000 1.048 225 K CA 1.449 57.696 56.287 -0.068 0.000 0.930 225 K CB -0.370 32.032 32.500 -0.163 0.000 0.716 225 K HN 0.168 nan 8.250 nan 0.000 0.444 226 A N 0.757 123.596 122.820 0.033 0.000 1.902 226 A HA -0.204 4.108 4.320 -0.013 0.000 0.217 226 A C 2.000 179.608 177.584 0.040 0.000 1.181 226 A CA 1.893 53.968 52.037 0.063 0.000 0.623 226 A CB -0.449 18.609 19.000 0.097 0.000 0.818 226 A HN 0.345 nan 8.150 nan 0.000 0.443 227 K N -0.377 120.039 120.400 0.027 0.000 2.002 227 K HA -0.152 4.160 4.320 -0.013 0.000 0.209 227 K C 1.952 178.559 176.600 0.012 0.000 1.048 227 K CA 1.574 57.872 56.287 0.019 0.000 0.930 227 K CB -0.250 32.257 32.500 0.012 0.000 0.714 227 K HN 0.618 nan 8.250 nan 0.000 0.438 228 E N 0.537 120.738 120.200 0.002 0.000 2.171 228 E HA -0.213 4.129 4.350 -0.013 0.000 0.197 228 E C 1.879 178.481 176.600 0.004 0.000 0.997 228 E CA 0.971 57.369 56.400 -0.002 0.000 0.810 228 E CB -0.080 29.611 29.700 -0.014 0.000 0.738 228 E HN 0.273 nan 8.360 nan 0.000 0.467 229 I N 0.760 121.336 120.570 0.011 0.000 2.333 229 I HA -0.103 4.058 4.170 -0.013 0.000 0.246 229 I C 2.524 178.654 176.117 0.021 0.000 1.106 229 I CA 0.818 62.128 61.300 0.017 0.000 1.411 229 I CB -1.501 36.516 38.000 0.028 0.000 1.082 229 I HN -0.015 nan 8.210 nan 0.000 0.420 230 A N 1.153 123.988 122.820 0.025 0.000 1.883 230 A HA -0.225 4.087 4.320 -0.013 0.000 0.217 230 A C 1.904 179.499 177.584 0.018 0.000 1.186 230 A CA 2.062 54.115 52.037 0.025 0.000 0.624 230 A CB -0.746 18.271 19.000 0.028 0.000 0.822 230 A HN 0.356 nan 8.150 nan 0.000 0.444 231 D N 0.208 120.616 120.400 0.014 0.000 2.265 231 D HA -0.082 4.550 4.640 -0.013 0.000 0.208 231 D C 0.494 176.800 176.300 0.009 0.000 0.977 231 D CA 0.902 54.908 54.000 0.010 0.000 0.871 231 D CB -0.211 40.593 40.800 0.007 0.000 0.925 231 D HN 0.436 nan 8.370 nan 0.000 0.485 232 N N -0.362 118.344 118.700 0.010 0.000 2.338 232 N HA 0.007 4.739 4.740 -0.013 0.000 0.251 232 N C -0.464 175.053 175.510 0.012 0.000 1.199 232 N CA 0.056 53.112 53.050 0.009 0.000 0.879 232 N CB 1.427 39.918 38.487 0.007 0.000 1.159 232 N HN -0.045 nan 8.380 nan 0.000 0.514 233 T N -0.667 113.895 114.554 0.014 0.000 2.797 233 T HA 0.349 4.691 4.350 -0.013 0.000 0.279 233 T C 1.101 175.810 174.700 0.015 0.000 0.991 233 T CA -0.261 61.849 62.100 0.016 0.000 0.979 233 T CB 1.237 70.118 68.868 0.022 0.000 0.943 233 T HN -0.040 nan 8.240 nan 0.000 0.444 234 S N 3.253 118.961 115.700 0.013 0.000 2.380 234 S HA -0.055 4.407 4.470 -0.013 0.000 0.213 234 S C 0.707 175.314 174.600 0.012 0.000 1.037 234 S CA 0.994 59.201 58.200 0.011 0.000 1.034 234 S CB -0.364 62.842 63.200 0.010 0.000 1.022 234 S HN 0.971 nan 8.310 nan 0.000 0.418 235 D N 1.932 122.340 120.400 0.013 0.000 2.487 235 D HA 0.121 4.753 4.640 -0.013 0.000 0.243 235 D C 0.847 177.155 176.300 0.014 0.000 1.154 235 D CA 0.511 54.519 54.000 0.012 0.000 0.876 235 D CB 1.165 41.973 40.800 0.013 0.000 1.161 235 D HN 0.242 nan 8.370 nan 0.000 0.478 236 A N 3.539 126.366 122.820 0.012 0.000 2.076 236 A HA -0.241 4.071 4.320 -0.013 0.000 0.220 236 A C 2.121 179.713 177.584 0.015 0.000 1.160 236 A CA 1.604 53.648 52.037 0.012 0.000 0.653 236 A CB -0.531 18.474 19.000 0.009 0.000 0.801 236 A HN 0.734 nan 8.150 nan 0.000 0.455 237 K N -0.763 119.646 120.400 0.014 0.000 2.007 237 K HA -0.159 4.153 4.320 -0.013 0.000 0.206 237 K C 2.308 178.924 176.600 0.027 0.000 1.047 237 K CA 1.415 57.712 56.287 0.016 0.000 0.937 237 K CB -0.146 32.362 32.500 0.013 0.000 0.718 237 K HN 0.268 nan 8.250 nan 0.000 0.438 238 R N 1.638 122.155 120.500 0.030 0.000 2.115 238 R HA -0.054 4.278 4.340 -0.013 0.000 0.230 238 R C 1.994 178.319 176.300 0.042 0.000 1.111 238 R CA 1.589 57.713 56.100 0.040 0.000 0.976 238 R CB -0.250 30.072 30.300 0.036 0.000 0.870 238 R HN 0.157 nan 8.270 nan 0.000 0.445 239 K N -0.445 119.975 120.400 0.033 0.000 2.057 239 K HA -0.063 4.249 4.320 -0.013 0.000 0.206 239 K C 1.770 178.391 176.600 0.035 0.000 1.050 239 K CA 1.401 57.706 56.287 0.031 0.000 0.935 239 K CB -0.194 32.319 32.500 0.023 0.000 0.715 239 K HN 0.203 nan 8.250 nan 0.000 0.439 240 A N 1.528 124.367 122.820 0.032 0.000 1.902 240 A HA -0.177 4.135 4.320 -0.013 0.000 0.217 240 A C 1.833 179.447 177.584 0.049 0.000 1.181 240 A CA 1.631 53.687 52.037 0.032 0.000 0.623 240 A CB -0.434 18.579 19.000 0.022 0.000 0.818 240 A HN 0.493 nan 8.150 nan 0.000 0.443 241 E N -0.156 120.083 120.200 0.065 0.000 2.077 241 E HA -0.152 4.190 4.350 -0.013 0.000 0.193 241 E C 1.931 178.595 176.600 0.107 0.000 0.989 241 E CA 1.182 57.646 56.400 0.106 0.000 0.800 241 E CB -0.314 29.457 29.700 0.119 0.000 0.746 241 E HN 0.614 nan 8.360 nan 0.000 0.452 242 L N 1.285 122.558 121.223 0.084 0.000 2.083 242 L HA -0.168 4.164 4.340 -0.013 0.000 0.209 242 L C 2.060 178.968 176.870 0.062 0.000 1.083 242 L CA 0.661 55.548 54.840 0.079 0.000 0.752 242 L CB -0.328 41.770 42.059 0.065 0.000 0.899 242 L HN 0.133 nan 8.230 nan 0.000 0.433 243 N N -0.358 118.372 118.700 0.049 0.000 2.309 243 N HA -0.185 4.547 4.740 -0.013 0.000 0.182 243 N C 1.797 177.323 175.510 0.028 0.000 1.018 243 N CA 0.883 53.954 53.050 0.035 0.000 0.876 243 N CB 0.031 38.535 38.487 0.028 0.000 0.972 243 N HN 0.286 nan 8.380 nan 0.000 0.434 244 E N 1.163 121.382 120.200 0.032 0.000 2.072 244 E HA 0.073 4.415 4.350 -0.013 0.000 0.190 244 E C 2.000 178.569 176.600 -0.052 0.000 0.982 244 E CA 0.548 56.948 56.400 -0.001 0.000 0.803 244 E CB -0.209 29.517 29.700 0.043 0.000 0.755 244 E HN 0.271 nan 8.360 nan 0.000 0.453 245 I N 0.454 121.026 120.570 0.003 0.000 2.163 245 I HA -0.321 3.841 4.170 -0.013 0.000 0.243 245 I C 2.343 178.486 176.117 0.043 0.000 1.085 245 I CA 1.213 62.525 61.300 0.019 0.000 1.347 245 I CB -0.457 37.610 38.000 0.111 0.000 1.044 245 I HN 0.169 nan 8.210 nan 0.000 0.408 246 A N 0.711 123.563 122.820 0.053 0.000 1.908 246 A HA -0.285 4.027 4.320 -0.013 0.000 0.218 246 A C 2.402 180.008 177.584 0.037 0.000 1.181 246 A CA 2.132 54.203 52.037 0.057 0.000 0.627 246 A CB -0.581 18.446 19.000 0.044 0.000 0.818 246 A HN 0.398 nan 8.150 nan 0.000 0.445 247 K N -0.805 119.602 120.400 0.013 0.000 2.026 247 K HA -0.141 4.171 4.320 -0.013 0.000 0.208 247 K C 1.746 178.344 176.600 -0.004 0.000 1.048 247 K CA 1.647 57.936 56.287 0.004 0.000 0.929 247 K CB -0.310 32.186 32.500 -0.006 0.000 0.713 247 K HN 0.294 nan 8.250 nan 0.000 0.439 248 I N 1.493 122.035 120.570 -0.047 0.000 2.179 248 I HA -0.311 3.851 4.170 -0.013 0.000 0.242 248 I C 2.387 178.532 176.117 0.047 0.000 1.088 248 I CA 1.054 62.320 61.300 -0.056 0.000 1.357 248 I CB -0.586 37.276 38.000 -0.230 0.000 1.051 248 I HN 0.312 nan 8.210 nan 0.000 0.409 249 C N -0.458 118.901 119.300 0.098 0.000 2.422 249 C HA -0.133 4.319 4.460 -0.013 0.000 0.279 249 C C 3.072 178.115 174.990 0.089 0.000 1.305 249 C CA 1.172 60.292 59.018 0.170 0.000 1.757 249 C CB -1.209 26.663 27.740 0.220 0.000 1.962 249 C HN 0.492 nan 8.230 nan 0.000 0.499 250 S N 0.310 116.046 115.700 0.060 0.000 2.368 250 S HA -0.147 4.315 4.470 -0.013 0.000 0.224 250 S C 1.921 176.548 174.600 0.045 0.000 1.029 250 S CA 1.244 59.469 58.200 0.041 0.000 0.988 250 S CB -0.149 63.070 63.200 0.031 0.000 0.838 250 S HN 0.662 nan 8.310 nan 0.000 0.462 251 K N 0.918 121.346 120.400 0.048 0.000 1.984 251 K HA -0.032 4.280 4.320 -0.013 0.000 0.209 251 K C 1.928 178.567 176.600 0.064 0.000 1.046 251 K CA 1.578 57.895 56.287 0.051 0.000 0.934 251 K CB -0.536 31.992 32.500 0.046 0.000 0.717 251 K HN 0.403 nan 8.250 nan 0.000 0.438 252 V N -0.523 119.440 119.914 0.081 0.000 3.590 252 V HA -0.047 4.065 4.120 -0.013 0.000 0.272 252 V C 1.901 178.067 176.094 0.119 0.000 1.233 252 V CA 1.152 63.510 62.300 0.097 0.000 1.182 252 V CB -0.138 31.769 31.823 0.139 0.000 0.901 252 V HN 0.181 nan 8.190 nan 0.000 0.485 253 S N 1.518 117.273 115.700 0.092 0.000 2.353 253 S HA -0.019 4.443 4.470 -0.013 0.000 0.222 253 S C 1.741 176.441 174.600 0.166 0.000 1.035 253 S CA 2.291 60.540 58.200 0.081 0.000 1.025 253 S CB -0.377 62.850 63.200 0.045 0.000 0.902 253 S HN 0.868 nan 8.310 nan 0.000 0.440 254 G N 0.012 108.897 108.800 0.142 0.000 2.799 254 G HA2 0.252 4.204 3.960 -0.013 0.000 0.201 254 G HA3 0.252 4.204 3.960 -0.013 0.000 0.201 254 G C 0.101 175.066 174.900 0.108 0.000 1.142 254 G CA -0.302 44.904 45.100 0.177 0.000 0.910 254 G HN 0.308 nan 8.290 nan 0.000 0.710 255 E N 0.694 120.936 120.200 0.071 0.000 2.322 255 E HA 0.473 4.815 4.350 -0.013 0.000 0.257 255 E C 0.445 177.055 176.600 0.016 0.000 1.155 255 E CA -0.327 56.100 56.400 0.045 0.000 0.936 255 E CB 1.106 30.835 29.700 0.049 0.000 1.130 255 E HN 0.115 nan 8.360 nan 0.000 0.465 256 G N -0.492 108.320 108.800 0.020 0.000 2.504 256 G HA2 0.462 4.414 3.960 -0.013 0.000 0.288 256 G HA3 0.462 4.414 3.960 -0.013 0.000 0.288 256 G C -0.346 174.579 174.900 0.042 0.000 1.182 256 G CA -0.073 45.035 45.100 0.013 0.000 0.894 256 G HN 0.478 nan 8.290 nan 0.000 0.521 257 A N 0.087 122.914 122.820 0.011 0.000 2.425 257 A HA 0.543 4.855 4.320 -0.013 0.000 0.242 257 A C 0.746 178.436 177.584 0.177 0.000 1.077 257 A CA 0.009 52.053 52.037 0.012 0.000 0.781 257 A CB 0.482 19.346 19.000 -0.226 0.000 1.020 257 A HN 0.678 nan 8.150 nan 0.000 0.494 258 K N -0.133 120.379 120.400 0.187 0.000 2.586 258 K HA 0.184 4.496 4.320 -0.013 0.000 0.198 258 K C -0.554 176.186 176.600 0.232 0.000 1.170 258 K CA 0.557 56.982 56.287 0.229 0.000 1.069 258 K CB 0.695 33.280 32.500 0.142 0.000 0.944 258 K HN 0.820 nan 8.250 nan 0.000 0.572 259 S N -1.477 114.378 115.700 0.258 0.000 2.570 259 S HA 0.309 4.771 4.470 -0.013 0.000 0.270 259 S C 0.115 174.912 174.600 0.328 0.000 1.149 259 S CA -0.870 57.494 58.200 0.273 0.000 0.837 259 S CB 0.726 64.063 63.200 0.228 0.000 1.124 259 S HN 0.028 nan 8.310 nan 0.000 0.465 260 F N 1.264 121.338 119.950 0.206 0.000 2.161 260 F HA -0.031 4.488 4.527 -0.013 0.000 0.300 260 F C 1.965 177.881 175.800 0.194 0.000 1.089 260 F CA 1.752 59.864 58.000 0.187 0.000 1.282 260 F CB -0.448 38.647 39.000 0.159 0.000 1.010 260 F HN 0.821 nan 8.300 nan 0.000 0.485 261 Y N 1.520 121.883 120.300 0.106 0.000 2.145 261 Y HA -0.198 4.344 4.550 -0.013 0.000 0.286 261 Y C 2.355 178.240 175.900 -0.026 0.000 1.145 261 Y CA 2.059 60.166 58.100 0.013 0.000 1.148 261 Y CB -0.919 37.645 38.460 0.174 0.000 0.981 261 Y HN 0.237 nan 8.280 nan 0.000 0.507 262 E N -0.457 119.870 120.200 0.212 0.000 2.085 262 E HA -0.219 4.123 4.350 -0.013 0.000 0.194 262 E C 2.355 178.972 176.600 0.028 0.000 0.994 262 E CA 1.068 57.526 56.400 0.097 0.000 0.801 262 E CB -0.314 29.430 29.700 0.074 0.000 0.743 262 E HN 0.488 nan 8.360 nan 0.000 0.453 263 A N 0.834 123.595 122.820 -0.098 0.000 1.902 263 A HA -0.199 4.113 4.320 -0.013 0.000 0.217 263 A C 2.427 179.941 177.584 -0.118 0.000 1.181 263 A CA 1.247 53.116 52.037 -0.280 0.000 0.623 263 A CB -0.831 17.845 19.000 -0.539 0.000 0.818 263 A HN 0.361 nan 8.150 nan 0.000 0.443 264 C N -1.466 117.733 119.300 -0.168 0.000 2.446 264 C HA -0.064 4.388 4.460 -0.013 0.000 0.277 264 C C 2.852 177.967 174.990 0.209 0.000 1.275 264 C CA 1.402 60.400 59.018 -0.033 0.000 1.727 264 C CB -0.948 26.659 27.740 -0.223 0.000 2.010 264 C HN 0.760 nan 8.230 nan 0.000 0.486 265 Q N 0.661 120.578 119.800 0.195 0.000 2.083 265 Q HA -0.097 4.235 4.340 -0.013 0.000 0.198 265 Q C 2.001 178.149 176.000 0.246 0.000 0.969 265 Q CA 1.393 57.312 55.803 0.193 0.000 0.838 265 Q CB -0.614 28.247 28.738 0.206 0.000 0.900 265 Q HN 0.515 nan 8.270 nan 0.000 0.436 266 L N 0.023 121.409 121.223 0.271 0.000 2.083 266 L HA -0.050 4.282 4.340 -0.013 0.000 0.209 266 L C 2.033 179.071 176.870 0.280 0.000 1.083 266 L CA 1.735 56.754 54.840 0.298 0.000 0.752 266 L CB -1.068 41.062 42.059 0.117 0.000 0.899 266 L HN 0.415 nan 8.230 nan 0.000 0.433 267 F N -0.888 119.156 119.950 0.157 0.000 2.095 267 F HA -0.285 4.234 4.527 -0.014 0.000 0.298 267 F C 2.326 178.306 175.800 0.300 0.000 1.104 267 F CA 2.134 60.264 58.000 0.216 0.000 1.232 267 F CB -0.782 38.335 39.000 0.196 0.000 0.987 267 F HN 0.333 nan 8.300 nan 0.000 0.475 268 W N 0.074 121.361 121.300 -0.022 0.000 2.388 268 W HA -0.263 4.389 4.660 -0.013 0.000 0.294 268 W C 1.808 178.283 176.519 -0.075 0.000 1.212 268 W CA 1.327 58.577 57.345 -0.160 0.000 1.271 268 W CB -0.625 28.760 29.460 -0.125 0.000 1.126 268 W HN 0.089 nan 8.180 nan 0.000 0.535 269 F N 0.843 120.755 119.950 -0.064 0.000 2.171 269 F HA -0.180 4.339 4.527 -0.014 0.000 0.300 269 F C 2.367 178.161 175.800 -0.010 0.000 1.090 269 F CA 1.405 59.371 58.000 -0.056 0.000 1.293 269 F CB -1.160 37.948 39.000 0.181 0.000 1.013 269 F HN -0.212 nan 8.300 nan 0.000 0.486 270 I N -1.040 119.686 120.570 0.260 0.000 2.142 270 I HA -0.347 3.815 4.170 -0.013 0.000 0.240 270 I C 2.466 178.643 176.117 0.100 0.000 1.078 270 I CA 1.793 63.266 61.300 0.287 0.000 1.343 270 I CB -0.646 37.469 38.000 0.191 0.000 1.046 270 I HN 0.100 nan 8.210 nan 0.000 0.405 271 H N 0.915 119.851 119.070 -0.222 0.000 2.319 271 H HA -0.156 4.392 4.556 -0.013 0.000 0.299 271 H C 2.180 177.252 175.328 -0.427 0.000 1.092 271 H CA 1.904 57.766 56.048 -0.310 0.000 1.302 271 H CB -0.028 29.389 29.762 -0.574 0.000 1.373 271 H HN 0.326 nan 8.280 nan 0.000 0.497 272 A N 0.548 122.978 122.820 -0.649 0.000 1.858 272 A HA -0.130 4.182 4.320 -0.013 0.000 0.216 272 A C 2.546 179.957 177.584 -0.289 0.000 1.190 272 A CA 1.732 53.423 52.037 -0.577 0.000 0.617 272 A CB -0.860 17.745 19.000 -0.658 0.000 0.827 272 A HN 0.497 nan 8.150 nan 0.000 0.443 273 I N -0.146 120.289 120.570 -0.224 0.000 2.208 273 I HA -0.284 3.878 4.170 -0.013 0.000 0.245 273 I C 2.271 178.280 176.117 -0.180 0.000 1.097 273 I CA 1.328 62.425 61.300 -0.339 0.000 1.363 273 I CB -0.430 37.245 38.000 -0.541 0.000 1.051 273 I HN 0.319 nan 8.210 nan 0.000 0.413 274 I N 0.884 121.476 120.570 0.036 0.000 2.194 274 I HA -0.327 3.835 4.170 -0.013 0.000 0.246 274 I C 1.929 178.030 176.117 -0.028 0.000 1.093 274 I CA 1.464 62.815 61.300 0.084 0.000 1.355 274 I CB -0.536 37.441 38.000 -0.039 0.000 1.046 274 I HN 0.353 nan 8.210 nan 0.000 0.413 275 N N 0.525 119.155 118.700 -0.116 0.000 2.521 275 N HA 0.041 4.773 4.740 -0.013 0.000 0.188 275 N C 1.653 177.221 175.510 0.097 0.000 1.146 275 N CA 0.846 53.864 53.050 -0.054 0.000 0.893 275 N CB 0.423 38.850 38.487 -0.099 0.000 0.975 275 N HN 0.454 nan 8.380 nan 0.000 0.451 276 I N 0.180 120.768 120.570 0.030 0.000 2.927 276 I HA -0.068 4.094 4.170 -0.013 0.000 0.268 276 I C 2.357 178.544 176.117 0.117 0.000 1.153 276 I CA 0.346 61.672 61.300 0.043 0.000 1.459 276 I CB 0.036 37.931 38.000 -0.176 0.000 1.149 276 I HN 0.034 nan 8.210 nan 0.000 0.443 277 E N 0.716 120.960 120.200 0.074 0.000 2.077 277 E HA -0.153 4.189 4.350 -0.013 0.000 0.193 277 E C 0.929 177.726 176.600 0.329 0.000 0.989 277 E CA 0.943 57.422 56.400 0.132 0.000 0.800 277 E CB 0.338 30.113 29.700 0.124 0.000 0.746 277 E HN 0.258 nan 8.360 nan 0.000 0.452 278 S N -0.963 114.947 115.700 0.350 0.000 2.607 278 S HA 0.219 4.681 4.470 -0.013 0.000 0.273 278 S C -0.750 173.763 174.600 -0.145 0.000 1.148 278 S CA -0.573 57.827 58.200 0.333 0.000 0.833 278 S CB 1.254 64.582 63.200 0.213 0.000 1.130 278 S HN 0.376 nan 8.310 nan 0.000 0.470 279 N N 1.215 119.502 118.700 -0.688 0.000 2.275 279 N HA 0.205 4.937 4.740 -0.013 0.000 0.236 279 N C 0.407 175.643 175.510 -0.456 0.000 1.154 279 N CA -0.146 52.381 53.050 -0.872 0.000 0.866 279 N CB 0.024 37.540 38.487 -1.618 0.000 1.093 279 N HN 0.579 nan 8.380 nan 0.000 0.515 280 G N 0.949 109.512 108.800 -0.394 0.000 2.398 280 G HA2 0.152 4.104 3.960 -0.013 0.000 0.246 280 G HA3 0.152 4.104 3.960 -0.013 0.000 0.246 280 G C 0.408 175.136 174.900 -0.286 0.000 1.289 280 G CA -0.281 44.587 45.100 -0.387 0.000 0.869 280 G HN 0.603 nan 8.290 nan 0.000 0.543 281 H N -0.196 118.744 119.070 -0.216 0.000 2.683 281 H HA 0.433 4.981 4.556 -0.013 0.000 0.276 281 H C 0.745 175.845 175.328 -0.380 0.000 1.564 281 H CA -0.162 55.755 56.048 -0.218 0.000 1.590 281 H CB 0.199 29.882 29.762 -0.131 0.000 1.692 281 H HN 0.506 nan 8.280 nan 0.000 0.871 282 S N -0.818 114.843 115.700 -0.066 0.000 3.561 282 S HA -0.179 4.283 4.470 -0.013 0.000 0.318 282 S C -0.171 174.359 174.600 -0.116 0.000 1.181 282 S CA 0.424 58.496 58.200 -0.212 0.000 0.916 282 S CB -1.637 61.049 63.200 -0.856 0.000 0.966 282 S HN 0.460 nan 8.310 nan 0.000 0.550 283 I N 3.056 123.613 120.570 -0.021 0.000 2.389 283 I HA 0.150 4.312 4.170 -0.013 0.000 0.295 283 I C 0.554 176.816 176.117 0.241 0.000 1.117 283 I CA 0.548 61.877 61.300 0.048 0.000 1.317 283 I CB 0.381 38.327 38.000 -0.090 0.000 1.431 283 I HN 0.149 nan 8.210 nan 0.000 0.521 284 S N 8.929 124.768 115.700 0.232 0.000 2.457 284 S HA 0.330 4.792 4.470 -0.013 0.000 0.289 284 S C -1.676 173.155 174.600 0.385 0.000 1.163 284 S CA -1.025 57.327 58.200 0.254 0.000 1.078 284 S CB 1.215 64.502 63.200 0.144 0.000 0.987 284 S HN 0.365 nan 8.310 nan 0.000 0.482 285 P HA -0.050 nan 4.420 nan 0.000 0.220 285 P C 1.016 178.547 177.300 0.385 0.000 1.148 285 P CA 1.524 64.803 63.100 0.299 0.000 0.803 285 P CB -0.016 31.775 31.700 0.152 0.000 0.782 286 A N -0.346 122.624 122.820 0.250 0.000 5.471 286 A HA -0.304 4.008 4.320 -0.013 0.000 0.292 286 A C 0.484 178.154 177.584 0.142 0.000 2.024 286 A CA 1.256 53.410 52.037 0.195 0.000 0.716 286 A CB -1.881 17.281 19.000 0.270 0.000 1.221 286 A HN 0.210 nan 8.150 nan 0.000 0.364 287 R N -0.092 120.494 120.500 0.144 0.000 4.886 287 R HA 0.261 4.593 4.340 -0.013 0.000 0.181 287 R C 0.892 176.995 176.300 -0.329 0.000 1.989 287 R CA 0.578 56.667 56.100 -0.018 0.000 1.623 287 R CB -0.784 29.511 30.300 -0.008 0.000 1.383 287 R HN 0.593 nan 8.270 nan 0.000 0.847 288 F N 2.946 122.577 119.950 -0.532 0.000 2.115 288 F HA -0.307 4.212 4.527 -0.014 0.000 0.300 288 F C 2.066 177.426 175.800 -0.732 0.000 1.092 288 F CA 2.309 59.750 58.000 -0.931 0.000 1.245 288 F CB 0.116 38.867 39.000 -0.416 0.000 0.995 288 F HN 0.346 nan 8.300 nan 0.000 0.481 289 D N -0.946 119.319 120.400 -0.225 0.000 2.312 289 D HA -0.166 4.466 4.640 -0.013 0.000 0.211 289 D C 1.613 177.792 176.300 -0.202 0.000 0.964 289 D CA 0.805 54.701 54.000 -0.173 0.000 0.877 289 D CB -0.596 40.163 40.800 -0.069 0.000 0.924 289 D HN 0.361 nan 8.370 nan 0.000 0.515 290 Q N -0.076 119.571 119.800 -0.256 0.000 2.163 290 Q HA -0.060 4.272 4.340 -0.013 0.000 0.198 290 Q C 1.979 177.984 176.000 0.009 0.000 0.954 290 Q CA 0.908 56.649 55.803 -0.103 0.000 0.851 290 Q CB -0.488 28.219 28.738 -0.052 0.000 0.928 290 Q HN 0.676 nan 8.270 nan 0.000 0.459 291 Y N -2.857 117.462 120.300 0.032 0.000 2.500 291 Y HA 0.267 4.809 4.550 -0.013 0.000 0.270 291 Y C 1.686 177.654 175.900 0.113 0.000 1.134 291 Y CA 0.071 58.222 58.100 0.086 0.000 1.293 291 Y CB -0.116 38.413 38.460 0.114 0.000 1.063 291 Y HN -0.131 nan 8.280 nan 0.000 0.534 292 M N -0.938 118.617 119.600 -0.076 0.000 2.486 292 M HA 0.024 4.496 4.480 -0.013 0.000 0.264 292 M C 1.630 178.084 176.300 0.257 0.000 1.125 292 M CA 0.444 55.755 55.300 0.018 0.000 1.144 292 M CB -1.147 31.082 32.600 -0.619 0.000 1.353 292 M HN 0.439 nan 8.290 nan 0.000 0.466 293 Y N 2.538 122.859 120.300 0.035 0.000 2.114 293 Y HA -0.178 4.364 4.550 -0.013 0.000 0.282 293 Y C -0.832 175.155 175.900 0.146 0.000 1.165 293 Y CA 2.233 60.382 58.100 0.082 0.000 1.148 293 Y CB -1.751 36.710 38.460 0.001 0.000 0.972 293 Y HN 0.146 nan 8.280 nan 0.000 0.504 294 P HA -0.207 nan 4.420 nan 0.000 0.216 294 P C 1.062 178.190 177.300 -0.286 0.000 1.150 294 P CA 2.156 65.118 63.100 -0.229 0.000 0.843 294 P CB -0.327 31.228 31.700 -0.241 0.000 0.787 295 Y N -2.856 117.486 120.300 0.070 0.000 2.293 295 Y HA -0.173 4.369 4.550 -0.014 0.000 0.291 295 Y C 2.548 178.550 175.900 0.169 0.000 1.137 295 Y CA 1.061 59.250 58.100 0.147 0.000 1.202 295 Y CB -1.096 37.500 38.460 0.226 0.000 0.990 295 Y HN 0.000 nan 8.280 nan 0.000 0.537 296 Y N 0.915 121.268 120.300 0.089 0.000 2.184 296 Y HA -0.172 4.370 4.550 -0.013 0.000 0.290 296 Y C 2.350 178.064 175.900 -0.310 0.000 1.129 296 Y CA 1.779 59.710 58.100 -0.281 0.000 1.144 296 Y CB -0.477 37.661 38.460 -0.537 0.000 0.995 296 Y HN 0.116 nan 8.280 nan 0.000 0.513 297 E N -0.035 119.842 120.200 -0.539 0.000 2.118 297 E HA -0.226 4.116 4.350 -0.013 0.000 0.195 297 E C 1.567 177.941 176.600 -0.377 0.000 0.992 297 E CA 1.426 57.479 56.400 -0.578 0.000 0.804 297 E CB -0.108 29.223 29.700 -0.615 0.000 0.741 297 E HN 0.560 nan 8.360 nan 0.000 0.458 298 N N 1.031 119.574 118.700 -0.261 0.000 2.416 298 N HA -0.098 4.634 4.740 -0.013 0.000 0.177 298 N C 0.153 175.597 175.510 -0.110 0.000 1.036 298 N CA 0.417 53.373 53.050 -0.155 0.000 0.901 298 N CB -0.079 38.338 38.487 -0.117 0.000 0.976 298 N HN 0.123 nan 8.380 nan 0.000 0.444 299 D N 1.847 122.181 120.400 -0.110 0.000 2.346 299 D HA 0.009 4.641 4.640 -0.013 0.000 0.267 299 D C 0.485 176.722 176.300 -0.106 0.000 1.320 299 D CA 0.138 54.114 54.000 -0.040 0.000 0.951 299 D CB 0.503 41.328 40.800 0.040 0.000 1.079 299 D HN 0.172 nan 8.370 nan 0.000 0.509 300 K N 2.248 122.614 120.400 -0.058 0.000 2.459 300 K HA 0.055 4.367 4.320 -0.013 0.000 0.193 300 K C 0.706 177.288 176.600 -0.030 0.000 1.030 300 K CA 0.183 56.432 56.287 -0.062 0.000 1.026 300 K CB 0.529 33.005 32.500 -0.041 0.000 0.809 300 K HN 0.235 nan 8.250 nan 0.000 0.504 301 N N 0.740 119.444 118.700 0.007 0.000 2.203 301 N HA 0.121 4.853 4.740 -0.013 0.000 0.207 301 N C -0.217 175.333 175.510 0.066 0.000 1.130 301 N CA 0.074 53.145 53.050 0.035 0.000 0.861 301 N CB 0.943 39.464 38.487 0.056 0.000 1.005 301 N HN 0.185 nan 8.380 nan 0.000 0.507 302 I N 1.298 121.904 120.570 0.060 0.000 2.525 302 I HA 0.193 4.355 4.170 -0.013 0.000 0.301 302 I C 0.123 176.285 176.117 0.076 0.000 0.992 302 I CA -0.474 60.906 61.300 0.132 0.000 1.162 302 I CB 1.543 39.657 38.000 0.189 0.000 1.332 302 I HN -0.049 nan 8.210 nan 0.000 0.458 303 T N 1.315 115.956 114.554 0.145 0.000 2.928 303 T HA 0.267 4.609 4.350 -0.013 0.000 0.284 303 T C 0.591 175.373 174.700 0.137 0.000 1.008 303 T CA -0.713 61.454 62.100 0.112 0.000 1.057 303 T CB 1.394 70.329 68.868 0.112 0.000 1.018 303 T HN 0.534 nan 8.240 nan 0.000 0.493 304 D N 0.556 121.023 120.400 0.113 0.000 2.218 304 D HA -0.092 4.540 4.640 -0.013 0.000 0.204 304 D C 1.761 178.118 176.300 0.094 0.000 0.976 304 D CA 1.102 55.172 54.000 0.117 0.000 0.853 304 D CB 0.018 40.875 40.800 0.095 0.000 0.939 304 D HN 0.735 nan 8.370 nan 0.000 0.481 305 K N -0.332 120.136 120.400 0.113 0.000 2.025 305 K HA -0.140 4.172 4.320 -0.013 0.000 0.207 305 K C 2.019 178.724 176.600 0.174 0.000 1.049 305 K CA 0.641 57.001 56.287 0.122 0.000 0.933 305 K CB -0.172 32.395 32.500 0.110 0.000 0.714 305 K HN -0.012 nan 8.250 nan 0.000 0.438 306 F N 1.393 121.366 119.950 0.039 0.000 2.206 306 F HA 0.022 4.541 4.527 -0.013 0.000 0.298 306 F C 1.952 177.793 175.800 0.068 0.000 1.090 306 F CA 0.959 58.981 58.000 0.037 0.000 1.323 306 F CB -0.600 38.424 39.000 0.040 0.000 1.028 306 F HN 0.092 nan 8.300 nan 0.000 0.492 307 A N -0.165 122.666 122.820 0.019 0.000 1.908 307 A HA -0.266 4.046 4.320 -0.013 0.000 0.218 307 A C 2.129 179.714 177.584 0.002 0.000 1.181 307 A CA 1.876 53.907 52.037 -0.009 0.000 0.627 307 A CB -0.964 17.978 19.000 -0.097 0.000 0.818 307 A HN 0.479 nan 8.150 nan 0.000 0.445 308 Q N 0.004 119.792 119.800 -0.020 0.000 2.079 308 Q HA -0.173 4.159 4.340 -0.013 0.000 0.200 308 Q C 1.926 177.900 176.000 -0.042 0.000 0.974 308 Q CA 2.218 57.999 55.803 -0.037 0.000 0.840 308 Q CB -0.357 28.388 28.738 0.012 0.000 0.898 308 Q HN 0.767 nan 8.270 nan 0.000 0.430 309 E N -0.585 119.591 120.200 -0.040 0.000 2.077 309 E HA -0.172 4.170 4.350 -0.013 0.000 0.193 309 E C 1.881 178.382 176.600 -0.164 0.000 0.989 309 E CA 1.072 57.438 56.400 -0.058 0.000 0.800 309 E CB -0.154 29.555 29.700 0.014 0.000 0.746 309 E HN 0.456 nan 8.360 nan 0.000 0.452 310 L N 0.615 121.649 121.223 -0.314 0.000 2.046 310 L HA -0.198 4.134 4.340 -0.013 0.000 0.208 310 L C 2.524 179.304 176.870 -0.151 0.000 1.077 310 L CA 0.989 55.619 54.840 -0.349 0.000 0.747 310 L CB -0.330 41.432 42.059 -0.495 0.000 0.896 310 L HN 0.273 nan 8.230 nan 0.000 0.432 311 I N -0.266 120.263 120.570 -0.068 0.000 2.226 311 I HA -0.293 3.869 4.170 -0.013 0.000 0.245 311 I C 2.054 178.078 176.117 -0.155 0.000 1.100 311 I CA 1.179 62.433 61.300 -0.077 0.000 1.374 311 I CB -0.456 37.453 38.000 -0.152 0.000 1.057 311 I HN 0.277 nan 8.210 nan 0.000 0.413 312 D N 0.504 120.801 120.400 -0.171 0.000 2.182 312 D HA -0.168 4.464 4.640 -0.013 0.000 0.201 312 D C 2.258 178.551 176.300 -0.011 0.000 0.986 312 D CA 1.177 55.111 54.000 -0.112 0.000 0.847 312 D CB -0.416 40.366 40.800 -0.030 0.000 0.942 312 D HN 0.383 nan 8.370 nan 0.000 0.467 313 C N 0.392 119.660 119.300 -0.054 0.000 2.446 313 C HA -0.022 4.430 4.460 -0.013 0.000 0.277 313 C C 2.848 177.772 174.990 -0.111 0.000 1.275 313 C CA -0.079 58.890 59.018 -0.082 0.000 1.727 313 C CB -0.856 26.813 27.740 -0.118 0.000 2.010 313 C HN 0.343 nan 8.230 nan 0.000 0.486 314 I N -0.879 119.660 120.570 -0.051 0.000 2.226 314 I HA -0.254 3.908 4.170 -0.013 0.000 0.245 314 I C 2.699 178.820 176.117 0.008 0.000 1.100 314 I CA 1.600 62.864 61.300 -0.060 0.000 1.374 314 I CB -0.472 37.593 38.000 0.107 0.000 1.057 314 I HN 0.583 nan 8.210 nan 0.000 0.413 315 W N 1.217 122.382 121.300 -0.224 0.000 2.338 315 W HA -0.230 4.422 4.660 -0.013 0.000 0.304 315 W C 2.464 178.885 176.519 -0.163 0.000 1.212 315 W CA 1.080 58.314 57.345 -0.185 0.000 1.264 315 W CB -0.130 29.243 29.460 -0.145 0.000 1.142 315 W HN 0.144 nan 8.180 nan 0.000 0.512 316 I N 0.093 120.697 120.570 0.057 0.000 2.286 316 I HA -0.297 3.865 4.170 -0.013 0.000 0.245 316 I C 2.371 178.396 176.117 -0.153 0.000 1.104 316 I CA 1.008 62.286 61.300 -0.037 0.000 1.397 316 I CB -0.520 37.458 38.000 -0.036 0.000 1.072 316 I HN -0.248 nan 8.210 nan 0.000 0.417 317 K N 0.900 121.102 120.400 -0.330 0.000 2.103 317 K HA -0.093 4.219 4.320 -0.013 0.000 0.207 317 K C 2.044 178.385 176.600 -0.432 0.000 1.048 317 K CA 1.318 57.234 56.287 -0.617 0.000 0.930 317 K CB -0.643 30.989 32.500 -1.447 0.000 0.716 317 K HN 0.338 nan 8.250 nan 0.000 0.444 318 L N 1.324 122.375 121.223 -0.288 0.000 2.265 318 L HA -0.155 4.177 4.340 -0.013 0.000 0.215 318 L C 1.736 178.621 176.870 0.026 0.000 1.117 318 L CA 0.828 55.662 54.840 -0.011 0.000 0.782 318 L CB -0.269 41.697 42.059 -0.156 0.000 0.914 318 L HN 0.219 nan 8.230 nan 0.000 0.441 319 N N -0.800 117.881 118.700 -0.032 0.000 2.373 319 N HA -0.115 4.617 4.740 -0.013 0.000 0.181 319 N C 1.100 176.626 175.510 0.026 0.000 1.082 319 N CA 0.485 53.533 53.050 -0.003 0.000 0.885 319 N CB 0.216 38.693 38.487 -0.017 0.000 0.977 319 N HN 0.260 nan 8.380 nan 0.000 0.462 320 D N 0.826 121.252 120.400 0.043 0.000 2.269 320 D HA 0.085 4.717 4.640 -0.013 0.000 0.208 320 D C 0.535 176.915 176.300 0.134 0.000 0.963 320 D CA 0.229 54.274 54.000 0.075 0.000 0.864 320 D CB 0.303 41.152 40.800 0.081 0.000 0.936 320 D HN 0.179 nan 8.370 nan 0.000 0.505 321 I N 0.805 121.488 120.570 0.187 0.000 2.519 321 I HA 0.154 4.316 4.170 -0.013 0.000 0.287 321 I C 0.547 176.743 176.117 0.132 0.000 1.047 321 I CA -0.310 61.105 61.300 0.191 0.000 1.381 321 I CB 0.913 39.056 38.000 0.238 0.000 1.417 321 I HN -0.080 nan 8.210 nan 0.000 0.540 322 N N 5.064 123.848 118.700 0.140 0.000 2.853 322 N HA 0.498 5.230 4.740 -0.013 0.000 0.258 322 N C -1.646 173.970 175.510 0.177 0.000 1.444 322 N CA -0.760 52.382 53.050 0.153 0.000 0.837 322 N CB 2.644 41.219 38.487 0.145 0.000 1.489 322 N HN 0.569 nan 8.380 nan 0.000 0.529 323 K N 1.028 121.554 120.400 0.211 0.000 2.571 323 K HA 0.335 4.647 4.320 -0.013 0.000 0.252 323 K C -1.797 174.845 176.600 0.069 0.000 0.956 323 K CA -0.601 55.758 56.287 0.119 0.000 0.822 323 K CB 1.724 34.252 32.500 0.046 0.000 1.286 323 K HN 0.236 nan 8.250 nan 0.000 0.439 324 V N 5.007 124.833 119.914 -0.147 0.000 2.546 324 V HA 0.540 4.652 4.120 -0.013 0.000 0.284 324 V C -0.708 175.339 176.094 -0.078 0.000 1.050 324 V CA -0.080 61.980 62.300 -0.400 0.000 0.981 324 V CB 0.872 32.270 31.823 -0.708 0.000 0.990 324 V HN 0.840 nan 8.190 nan 0.000 0.474 325 R N 4.241 124.647 120.500 -0.156 0.000 2.888 325 R HA 0.467 4.799 4.340 -0.013 0.000 0.266 325 R C -0.774 175.106 176.300 -0.700 0.000 1.020 325 R CA -0.832 55.000 56.100 -0.446 0.000 0.963 325 R CB 1.313 31.465 30.300 -0.246 0.000 1.197 325 R HN 0.885 nan 8.270 nan 0.000 0.481 326 D N 0.704 120.338 120.400 -1.276 0.000 2.369 326 D HA -0.058 4.574 4.640 -0.013 0.000 0.241 326 D C 0.205 176.267 176.300 -0.397 0.000 1.271 326 D CA -0.140 53.341 54.000 -0.866 0.000 0.942 326 D CB 0.773 40.955 40.800 -1.030 0.000 1.129 326 D HN 0.540 nan 8.370 nan 0.000 0.476 327 E N -0.579 119.497 120.200 -0.207 0.000 2.070 327 E HA -0.176 4.166 4.350 -0.013 0.000 0.197 327 E C 2.026 178.458 176.600 -0.280 0.000 1.004 327 E CA 1.012 57.315 56.400 -0.162 0.000 0.805 327 E CB -0.047 29.605 29.700 -0.081 0.000 0.744 327 E HN 0.467 nan 8.360 nan 0.000 0.451 328 I N 0.990 121.341 120.570 -0.365 0.000 2.163 328 I HA -0.182 3.980 4.170 -0.013 0.000 0.240 328 I C 2.403 178.000 176.117 -0.867 0.000 1.081 328 I CA 1.096 62.072 61.300 -0.539 0.000 1.353 328 I CB -1.383 36.380 38.000 -0.395 0.000 1.054 328 I HN -0.025 nan 8.210 nan 0.000 0.407 329 S N 0.741 115.973 115.700 -0.779 0.000 2.387 329 S HA -0.188 4.274 4.470 -0.013 0.000 0.230 329 S C 1.999 176.324 174.600 -0.458 0.000 1.035 329 S CA 1.935 59.682 58.200 -0.755 0.000 1.014 329 S CB -0.541 62.440 63.200 -0.365 0.000 0.836 329 S HN 0.493 nan 8.310 nan 0.000 0.466 330 T N 1.915 116.273 114.554 -0.326 0.000 2.849 330 T HA -0.092 4.250 4.350 -0.013 0.000 0.270 330 T C 1.597 176.192 174.700 -0.175 0.000 1.066 330 T CA 1.139 63.151 62.100 -0.146 0.000 1.130 330 T CB -0.193 68.611 68.868 -0.107 0.000 0.864 330 T HN 0.449 nan 8.240 nan 0.000 0.481 331 K N -0.116 120.086 120.400 -0.331 0.000 2.296 331 K HA 0.017 4.329 4.320 -0.013 0.000 0.200 331 K C 1.900 178.379 176.600 -0.202 0.000 1.048 331 K CA 0.795 56.926 56.287 -0.259 0.000 0.966 331 K CB -0.045 32.228 32.500 -0.379 0.000 0.754 331 K HN 0.623 nan 8.250 nan 0.000 0.466 332 H N -1.440 117.329 119.070 -0.502 0.000 2.482 332 H HA 0.043 4.591 4.556 -0.013 0.000 0.286 332 H C -0.011 174.745 175.328 -0.955 0.000 1.017 332 H CA 0.243 55.786 56.048 -0.843 0.000 1.322 332 H CB 0.320 29.453 29.762 -1.049 0.000 1.426 332 H HN 0.036 nan 8.280 nan 0.000 0.546 333 F N 1.045 121.030 119.950 0.059 0.000 2.564 333 F HA 0.322 4.841 4.527 -0.014 0.000 0.329 333 F C 0.726 176.538 175.800 0.019 0.000 1.458 333 F CA -0.825 57.226 58.000 0.085 0.000 1.117 333 F CB 0.856 39.903 39.000 0.077 0.000 1.383 333 F HN -0.026 nan 8.300 nan 0.000 0.571 334 G N -0.349 108.534 108.800 0.137 0.000 2.467 334 G HA2 0.431 4.383 3.960 -0.013 0.000 0.257 334 G HA3 0.431 4.383 3.960 -0.013 0.000 0.257 334 G C 0.803 175.757 174.900 0.090 0.000 1.227 334 G CA 0.165 45.300 45.100 0.059 0.000 0.835 334 G HN 1.001 nan 8.290 nan 0.000 0.556 335 G N 0.479 109.230 108.800 -0.082 0.000 2.141 335 G HA2 -0.153 3.799 3.960 -0.013 0.000 0.195 335 G HA3 -0.153 3.799 3.960 -0.013 0.000 0.195 335 G C 0.370 175.254 174.900 -0.026 0.000 1.012 335 G CA 0.103 45.144 45.100 -0.099 0.000 0.696 335 G HN 1.542 nan 8.290 nan 0.000 0.508 336 Y N -2.002 118.321 120.300 0.039 0.000 3.168 336 Y HA -0.210 4.332 4.550 -0.013 0.000 0.207 336 Y C -1.294 174.571 175.900 -0.059 0.000 1.280 336 Y CA 0.240 58.356 58.100 0.028 0.000 1.235 336 Y CB -1.462 36.999 38.460 0.002 0.000 1.370 336 Y HN 0.505 nan 8.280 nan 0.000 0.537 337 P HA 0.154 nan 4.420 nan 0.000 0.290 337 P C 0.241 177.257 177.300 -0.473 0.000 1.276 337 P CA -0.331 62.484 63.100 -0.474 0.000 0.808 337 P CB 1.517 32.533 31.700 -1.140 0.000 0.966 338 M N 1.393 120.777 119.600 -0.360 0.000 2.379 338 M HA 0.106 4.578 4.480 -0.013 0.000 0.265 338 M C 0.004 176.336 176.300 0.054 0.000 1.095 338 M CA -0.252 54.989 55.300 -0.099 0.000 1.075 338 M CB -1.011 31.599 32.600 0.017 0.000 1.443 338 M HN 0.302 nan 8.290 nan 0.000 0.519 339 Y N 0.812 121.053 120.300 -0.098 0.000 3.168 339 Y HA -0.261 4.281 4.550 -0.013 0.000 0.207 339 Y C -0.120 175.775 175.900 -0.009 0.000 1.280 339 Y CA 0.129 58.197 58.100 -0.055 0.000 1.235 339 Y CB -2.846 35.572 38.460 -0.069 0.000 1.370 339 Y HN 0.374 nan 8.280 nan 0.000 0.537 340 Q N 0.983 120.844 119.800 0.102 0.000 2.472 340 Q HA 0.136 4.468 4.340 -0.013 0.000 0.227 340 Q C 0.324 176.348 176.000 0.040 0.000 1.156 340 Q CA -0.432 55.434 55.803 0.104 0.000 0.924 340 Q CB 0.449 29.262 28.738 0.124 0.000 1.354 340 Q HN 0.299 nan 8.270 nan 0.000 0.525 341 N N 3.028 121.767 118.700 0.065 0.000 2.497 341 N HA 0.218 4.950 4.740 -0.013 0.000 0.271 341 N C -1.400 174.112 175.510 0.003 0.000 1.142 341 N CA 0.042 53.111 53.050 0.032 0.000 0.965 341 N CB 0.767 39.276 38.487 0.036 0.000 1.077 341 N HN 0.511 nan 8.380 nan 0.000 0.462 342 L N 5.100 126.294 121.223 -0.048 0.000 2.376 342 L HA 0.557 4.889 4.340 -0.013 0.000 0.275 342 L C -0.935 175.927 176.870 -0.014 0.000 0.987 342 L CA -0.623 54.179 54.840 -0.064 0.000 0.828 342 L CB 1.364 43.276 42.059 -0.245 0.000 1.249 342 L HN 0.504 nan 8.230 nan 0.000 0.409 343 I N 4.557 125.128 120.570 0.002 0.000 2.562 343 I HA 0.633 4.795 4.170 -0.013 0.000 0.301 343 I C -1.120 175.010 176.117 0.022 0.000 1.003 343 I CA -0.608 60.696 61.300 0.006 0.000 1.127 343 I CB 2.080 40.036 38.000 -0.073 0.000 1.304 343 I HN 0.389 nan 8.210 nan 0.000 0.446 344 V N 5.650 125.604 119.914 0.067 0.000 2.962 344 V HA 0.884 4.996 4.120 -0.013 0.000 0.313 344 V C 0.313 176.462 176.094 0.091 0.000 1.099 344 V CA 0.449 62.792 62.300 0.072 0.000 0.971 344 V CB 1.532 33.440 31.823 0.142 0.000 1.028 344 V HN 1.119 nan 8.190 nan 0.000 0.430 345 G N 2.197 110.929 108.800 -0.113 0.000 2.693 345 G HA2 0.433 4.385 3.960 -0.013 0.000 0.226 345 G HA3 0.433 4.385 3.960 -0.013 0.000 0.226 345 G C 0.488 175.296 174.900 -0.154 0.000 1.354 345 G CA -0.064 44.859 45.100 -0.295 0.000 0.873 345 G HN 2.617 nan 8.290 nan 0.000 0.562 346 G N -1.756 106.994 108.800 -0.083 0.000 2.500 346 G HA2 0.511 4.463 3.960 -0.013 0.000 0.209 346 G HA3 0.511 4.463 3.960 -0.013 0.000 0.209 346 G C -0.184 174.531 174.900 -0.308 0.000 1.283 346 G CA 0.842 45.860 45.100 -0.137 0.000 0.960 346 G HN 2.318 nan 8.290 nan 0.000 0.528 347 Q N -0.318 119.156 119.800 -0.543 0.000 2.359 347 Q HA 0.706 5.038 4.340 -0.013 0.000 0.275 347 Q C 0.278 176.073 176.000 -0.342 0.000 1.082 347 Q CA -0.624 54.822 55.803 -0.594 0.000 0.849 347 Q CB 1.667 29.717 28.738 -1.147 0.000 1.377 347 Q HN 0.912 nan 8.270 nan 0.000 0.452 348 N N -0.418 118.134 118.700 -0.246 0.000 2.476 348 N HA 0.077 4.809 4.740 -0.013 0.000 0.287 348 N C 0.637 176.074 175.510 -0.122 0.000 1.262 348 N CA -0.095 52.869 53.050 -0.144 0.000 0.980 348 N CB 0.365 38.799 38.487 -0.088 0.000 1.163 348 N HN 0.728 nan 8.380 nan 0.000 0.592 349 S N -1.676 113.987 115.700 -0.061 0.000 2.442 349 S HA -0.132 4.330 4.470 -0.013 0.000 0.236 349 S C 1.024 175.604 174.600 -0.034 0.000 1.007 349 S CA 0.867 59.047 58.200 -0.033 0.000 0.965 349 S CB -0.628 62.574 63.200 0.002 0.000 0.773 349 S HN 0.665 nan 8.310 nan 0.000 0.504 350 E N 0.730 120.907 120.200 -0.039 0.000 2.481 350 E HA 0.237 4.579 4.350 -0.013 0.000 0.195 350 E C 1.161 177.739 176.600 -0.036 0.000 1.047 350 E CA 0.212 56.598 56.400 -0.023 0.000 0.867 350 E CB -0.154 29.542 29.700 -0.008 0.000 0.858 350 E HN 0.746 nan 8.360 nan 0.000 0.513 351 G N 1.850 110.590 108.800 -0.100 0.000 2.132 351 G HA2 -0.268 3.684 3.960 -0.013 0.000 0.234 351 G HA3 -0.268 3.684 3.960 -0.013 0.000 0.234 351 G C -0.021 174.809 174.900 -0.117 0.000 0.989 351 G CA 0.084 45.097 45.100 -0.146 0.000 0.676 351 G HN 0.125 nan 8.290 nan 0.000 0.522 352 K N 0.012 120.361 120.400 -0.084 0.000 2.166 352 K HA 0.476 4.788 4.320 -0.013 0.000 0.245 352 K C -0.418 176.196 176.600 0.024 0.000 0.967 352 K CA -0.904 55.418 56.287 0.059 0.000 0.863 352 K CB 1.340 33.873 32.500 0.055 0.000 1.107 352 K HN 0.135 nan 8.250 nan 0.000 0.436 353 D N 0.480 121.047 120.400 0.279 0.000 2.455 353 D HA 0.071 4.703 4.640 -0.013 0.000 0.241 353 D C -0.208 176.105 176.300 0.022 0.000 1.138 353 D CA 0.261 54.422 54.000 0.267 0.000 0.877 353 D CB 0.831 41.846 40.800 0.358 0.000 1.187 353 D HN 0.553 nan 8.370 nan 0.000 0.451 354 A N 2.980 125.754 122.820 -0.076 0.000 2.574 354 A HA 0.212 4.524 4.320 -0.013 0.000 0.283 354 A C 0.463 177.904 177.584 -0.238 0.000 1.270 354 A CA -0.459 51.486 52.037 -0.153 0.000 0.945 354 A CB -0.048 18.851 19.000 -0.168 0.000 1.127 354 A HN 0.517 nan 8.150 nan 0.000 0.522 355 T N 2.579 116.975 114.554 -0.264 0.000 2.888 355 T HA 0.362 4.704 4.350 -0.013 0.000 0.301 355 T C 0.224 174.737 174.700 -0.311 0.000 1.001 355 T CA 0.311 62.164 62.100 -0.411 0.000 1.147 355 T CB 0.240 68.821 68.868 -0.479 0.000 0.931 355 T HN 0.820 nan 8.240 nan 0.000 0.541 356 N N 1.205 119.699 118.700 -0.343 0.000 3.102 356 N HA 0.393 5.125 4.740 -0.013 0.000 0.299 356 N C 0.536 175.968 175.510 -0.131 0.000 1.482 356 N CA -1.145 51.675 53.050 -0.383 0.000 0.785 356 N CB 0.930 38.851 38.487 -0.945 0.000 1.680 356 N HN 0.200 nan 8.380 nan 0.000 0.594 357 K N -0.568 119.791 120.400 -0.070 0.000 2.063 357 K HA -0.064 4.248 4.320 -0.013 0.000 0.208 357 K C 1.393 177.966 176.600 -0.045 0.000 1.048 357 K CA 1.588 57.892 56.287 0.030 0.000 0.928 357 K CB -0.484 31.994 32.500 -0.036 0.000 0.713 357 K HN 0.316 nan 8.250 nan 0.000 0.442 358 V N 1.432 121.288 119.914 -0.098 0.000 2.594 358 V HA -0.233 3.879 4.120 -0.013 0.000 0.253 358 V C 2.061 178.144 176.094 -0.019 0.000 1.069 358 V CA 1.727 63.978 62.300 -0.082 0.000 1.082 358 V CB -0.369 31.449 31.823 -0.008 0.000 0.680 358 V HN 0.278 nan 8.190 nan 0.000 0.469 359 S N -0.987 114.674 115.700 -0.066 0.000 2.368 359 S HA -0.207 4.255 4.470 -0.013 0.000 0.225 359 S C 1.828 176.400 174.600 -0.047 0.000 1.030 359 S CA 1.729 59.871 58.200 -0.096 0.000 0.999 359 S CB -0.425 62.585 63.200 -0.317 0.000 0.844 359 S HN 0.666 nan 8.310 nan 0.000 0.459 360 Y N 1.110 121.438 120.300 0.048 0.000 2.337 360 Y HA 0.132 4.675 4.550 -0.013 0.000 0.293 360 Y C 2.414 178.293 175.900 -0.036 0.000 1.123 360 Y CA 0.638 58.771 58.100 0.055 0.000 1.201 360 Y CB -0.372 38.104 38.460 0.026 0.000 1.011 360 Y HN 0.167 nan 8.280 nan 0.000 0.545 361 M N -0.857 118.764 119.600 0.036 0.000 2.296 361 M HA -0.164 4.308 4.480 -0.013 0.000 0.265 361 M C 2.417 178.572 176.300 -0.243 0.000 1.064 361 M CA 1.355 56.586 55.300 -0.115 0.000 1.109 361 M CB -0.287 32.219 32.600 -0.156 0.000 1.396 361 M HN 0.338 nan 8.290 nan 0.000 0.430 362 A N 0.691 123.416 122.820 -0.159 0.000 1.898 362 A HA -0.090 4.222 4.320 -0.013 0.000 0.216 362 A C 2.058 179.554 177.584 -0.147 0.000 1.181 362 A CA 1.214 53.118 52.037 -0.223 0.000 0.620 362 A CB -0.793 18.277 19.000 0.116 0.000 0.819 362 A HN 0.447 nan 8.150 nan 0.000 0.442 363 L N -1.026 120.181 121.223 -0.026 0.000 2.093 363 L HA -0.173 4.159 4.340 -0.013 0.000 0.208 363 L C 2.602 179.444 176.870 -0.047 0.000 1.085 363 L CA 1.670 56.520 54.840 0.017 0.000 0.755 363 L CB -0.482 41.627 42.059 0.083 0.000 0.904 363 L HN 0.423 nan 8.230 nan 0.000 0.435 364 E N 0.557 120.700 120.200 -0.096 0.000 2.072 364 E HA -0.183 4.159 4.350 -0.013 0.000 0.191 364 E C 2.207 178.491 176.600 -0.526 0.000 0.985 364 E CA 1.360 57.633 56.400 -0.212 0.000 0.801 364 E CB -0.091 29.454 29.700 -0.259 0.000 0.750 364 E HN 0.369 nan 8.360 nan 0.000 0.452 365 A N 0.781 123.224 122.820 -0.629 0.000 1.940 365 A HA -0.145 4.167 4.320 -0.013 0.000 0.219 365 A C 2.420 179.719 177.584 -0.476 0.000 1.176 365 A CA 2.033 53.592 52.037 -0.796 0.000 0.631 365 A CB -1.031 16.985 19.000 -1.640 0.000 0.814 365 A HN 0.378 nan 8.150 nan 0.000 0.446 366 A N -0.675 121.998 122.820 -0.245 0.000 1.940 366 A HA -0.038 4.274 4.320 -0.013 0.000 0.219 366 A C 2.169 179.701 177.584 -0.087 0.000 1.176 366 A CA 1.964 54.027 52.037 0.043 0.000 0.631 366 A CB -0.757 18.289 19.000 0.077 0.000 0.814 366 A HN 0.454 nan 8.150 nan 0.000 0.446 367 V N -1.073 118.690 119.914 -0.252 0.000 2.649 367 V HA -0.174 3.938 4.120 -0.013 0.000 0.248 367 V C 2.142 178.207 176.094 -0.048 0.000 1.054 367 V CA 1.704 63.827 62.300 -0.295 0.000 1.073 367 V CB -1.063 30.330 31.823 -0.718 0.000 0.699 367 V HN 0.714 nan 8.190 nan 0.000 0.463 368 H N -0.763 118.214 119.070 -0.154 0.000 2.389 368 H HA -0.065 4.483 4.556 -0.013 0.000 0.299 368 H C 2.178 177.466 175.328 -0.067 0.000 1.081 368 H CA 1.432 57.419 56.048 -0.102 0.000 1.345 368 H CB 0.410 30.098 29.762 -0.122 0.000 1.393 368 H HN 0.300 nan 8.280 nan 0.000 0.520 369 V N 0.001 119.967 119.914 0.087 0.000 2.672 369 V HA -0.072 4.040 4.120 -0.013 0.000 0.242 369 V C 0.784 176.917 176.094 0.065 0.000 1.059 369 V CA 0.461 62.812 62.300 0.084 0.000 1.081 369 V CB -0.013 31.907 31.823 0.162 0.000 0.752 369 V HN 0.362 nan 8.190 nan 0.000 0.472 370 K N 0.296 120.732 120.400 0.059 0.000 3.077 370 K HA -0.200 4.112 4.320 -0.013 0.000 0.264 370 K C -0.440 176.188 176.600 0.047 0.000 1.008 370 K CA 0.239 56.547 56.287 0.035 0.000 0.740 370 K CB -1.488 31.017 32.500 0.008 0.000 1.273 370 K HN 0.368 nan 8.250 nan 0.000 0.477 371 L N -1.034 120.229 121.223 0.067 0.000 2.304 371 L HA 0.304 4.636 4.340 -0.013 0.000 0.268 371 L C -1.292 175.601 176.870 0.038 0.000 1.010 371 L CA -2.515 52.355 54.840 0.050 0.000 0.813 371 L CB 1.192 43.278 42.059 0.045 0.000 1.315 371 L HN -0.199 nan 8.230 nan 0.000 0.445 372 P HA -0.116 nan 4.420 nan 0.000 0.216 372 P C -0.366 176.934 177.300 -0.001 0.000 1.150 372 P CA 1.200 64.320 63.100 0.033 0.000 0.837 372 P CB 0.237 31.971 31.700 0.057 0.000 0.786 373 Q N -0.894 118.880 119.800 -0.042 0.000 2.301 373 Q HA 0.364 4.696 4.340 -0.013 0.000 0.267 373 Q C -2.394 173.434 176.000 -0.288 0.000 1.035 373 Q CA -2.345 53.381 55.803 -0.129 0.000 0.856 373 Q CB 1.221 29.899 28.738 -0.101 0.000 1.337 373 Q HN 0.087 nan 8.270 nan 0.000 0.450 374 P HA 0.151 nan 4.420 nan 0.000 0.279 374 P C -0.588 176.573 177.300 -0.232 0.000 1.276 374 P CA -0.456 62.384 63.100 -0.433 0.000 0.801 374 P CB 0.658 31.910 31.700 -0.746 0.000 1.127 375 S N 0.618 116.251 115.700 -0.112 0.000 3.530 375 S HA 0.136 4.598 4.470 -0.013 0.000 0.279 375 S C 0.428 175.030 174.600 0.003 0.000 1.280 375 S CA -0.247 57.957 58.200 0.007 0.000 0.946 375 S CB -1.426 61.831 63.200 0.095 0.000 1.501 375 S HN 0.283 nan 8.310 nan 0.000 0.498 376 L N 3.853 125.073 121.223 -0.005 0.000 2.455 376 L HA 0.293 4.625 4.340 -0.013 0.000 0.272 376 L C 0.112 177.031 176.870 0.083 0.000 1.174 376 L CA 0.903 55.764 54.840 0.035 0.000 0.869 376 L CB 0.360 42.474 42.059 0.092 0.000 1.130 376 L HN 0.414 nan 8.230 nan 0.000 0.474 377 S N 3.036 118.797 115.700 0.102 0.000 2.595 377 S HA 0.849 5.311 4.470 -0.013 0.000 0.281 377 S C -1.054 173.625 174.600 0.131 0.000 1.117 377 S CA -0.417 57.893 58.200 0.184 0.000 0.873 377 S CB 2.091 65.487 63.200 0.325 0.000 1.108 377 S HN 0.715 nan 8.310 nan 0.000 0.477 378 V N -0.298 119.707 119.914 0.152 0.000 2.789 378 V HA 0.708 4.820 4.120 -0.013 0.000 0.311 378 V C -0.997 175.299 176.094 0.336 0.000 1.073 378 V CA -1.064 61.349 62.300 0.188 0.000 0.921 378 V CB 1.680 33.503 31.823 0.001 0.000 1.009 378 V HN 0.814 nan 8.190 nan 0.000 0.426 379 R N 3.716 124.414 120.500 0.329 0.000 2.368 379 R HA 0.723 5.055 4.340 -0.013 0.000 0.302 379 R C -1.028 175.542 176.300 0.449 0.000 1.002 379 R CA -0.674 55.620 56.100 0.324 0.000 0.929 379 R CB 1.567 31.918 30.300 0.085 0.000 1.073 379 R HN 0.658 nan 8.270 nan 0.000 0.464 380 I N 3.907 124.767 120.570 0.483 0.000 2.509 380 I HA 0.467 4.628 4.170 -0.013 0.000 0.293 380 I C -0.291 176.137 176.117 0.518 0.000 1.020 380 I CA -0.708 60.917 61.300 0.543 0.000 1.088 380 I CB 1.524 39.921 38.000 0.661 0.000 1.267 380 I HN 0.732 nan 8.210 nan 0.000 0.430 381 W N 5.407 126.823 121.300 0.194 0.000 3.018 381 W HA 0.428 5.080 4.660 -0.013 0.000 0.352 381 W C 0.003 176.597 176.519 0.125 0.000 1.230 381 W CA -0.856 56.566 57.345 0.128 0.000 1.162 381 W CB 0.421 29.935 29.460 0.091 0.000 1.483 381 W HN 0.554 nan 8.180 nan 0.000 0.584 382 N N 0.488 119.185 118.700 -0.005 0.000 2.091 382 N HA -0.246 4.486 4.740 -0.013 0.000 0.193 382 N C 1.101 176.244 175.510 -0.610 0.000 1.021 382 N CA 1.890 54.797 53.050 -0.239 0.000 0.862 382 N CB -0.026 38.400 38.487 -0.102 0.000 1.018 382 N HN 0.266 nan 8.380 nan 0.000 0.429 383 K N 0.710 120.220 120.400 -1.483 0.000 2.446 383 K HA 0.113 4.425 4.320 -0.013 0.000 0.203 383 K C -0.256 175.820 176.600 -0.873 0.000 1.027 383 K CA -0.036 55.514 56.287 -1.229 0.000 1.166 383 K CB 0.558 32.258 32.500 -1.333 0.000 0.869 383 K HN 0.034 nan 8.250 nan 0.000 0.504 384 T N 3.869 117.995 114.554 -0.714 0.000 2.871 384 T HA 0.037 4.379 4.350 -0.013 0.000 0.296 384 T C -2.355 172.338 174.700 -0.012 0.000 0.998 384 T CA -0.788 61.242 62.100 -0.117 0.000 1.162 384 T CB 0.355 69.310 68.868 0.145 0.000 0.947 384 T HN 0.013 nan 8.240 nan 0.000 0.536 385 P HA 0.109 nan 4.420 nan 0.000 0.268 385 P C 0.656 178.046 177.300 0.149 0.000 1.204 385 P CA -0.297 62.861 63.100 0.096 0.000 0.768 385 P CB 0.532 32.310 31.700 0.130 0.000 0.842 386 D N 2.404 122.856 120.400 0.086 0.000 2.123 386 D HA -0.171 4.461 4.640 -0.013 0.000 0.196 386 D C 1.373 177.740 176.300 0.111 0.000 0.992 386 D CA 1.601 55.646 54.000 0.075 0.000 0.833 386 D CB -0.080 40.738 40.800 0.030 0.000 0.954 386 D HN 0.502 nan 8.370 nan 0.000 0.455 387 E N 0.343 120.627 120.200 0.140 0.000 2.118 387 E HA -0.169 4.173 4.350 -0.013 0.000 0.195 387 E C 1.825 178.594 176.600 0.282 0.000 0.992 387 E CA 0.503 57.004 56.400 0.168 0.000 0.804 387 E CB -0.499 29.299 29.700 0.164 0.000 0.741 387 E HN 0.287 nan 8.360 nan 0.000 0.458 388 F N 0.830 120.888 119.950 0.180 0.000 2.113 388 F HA -0.099 4.420 4.527 -0.014 0.000 0.297 388 F C 1.985 177.845 175.800 0.099 0.000 1.103 388 F CA 0.949 59.023 58.000 0.122 0.000 1.248 388 F CB -0.409 38.604 39.000 0.023 0.000 0.999 388 F HN 0.087 nan 8.300 nan 0.000 0.475 389 L N 0.237 121.492 121.223 0.053 0.000 2.083 389 L HA -0.142 4.190 4.340 -0.013 0.000 0.209 389 L C 2.050 178.902 176.870 -0.029 0.000 1.083 389 L CA 1.705 56.535 54.840 -0.018 0.000 0.752 389 L CB -0.931 41.173 42.059 0.075 0.000 0.899 389 L HN 0.245 nan 8.230 nan 0.000 0.433 390 L N -1.029 120.194 121.223 -0.001 0.000 2.093 390 L HA -0.159 4.173 4.340 -0.013 0.000 0.208 390 L C 2.699 179.562 176.870 -0.013 0.000 1.085 390 L CA 0.958 55.789 54.840 -0.015 0.000 0.755 390 L CB -0.440 41.615 42.059 -0.008 0.000 0.904 390 L HN 0.249 nan 8.230 nan 0.000 0.435 391 R N 0.719 121.221 120.500 0.002 0.000 2.092 391 R HA -0.091 4.241 4.340 -0.013 0.000 0.231 391 R C 2.145 178.447 176.300 0.003 0.000 1.119 391 R CA 1.583 57.697 56.100 0.023 0.000 0.970 391 R CB -0.563 29.830 30.300 0.154 0.000 0.864 391 R HN 0.299 nan 8.270 nan 0.000 0.440 392 A N -0.119 122.632 122.820 -0.115 0.000 1.969 392 A HA 0.062 4.374 4.320 -0.013 0.000 0.218 392 A C 2.267 179.911 177.584 0.100 0.000 1.169 392 A CA 1.430 53.417 52.037 -0.083 0.000 0.635 392 A CB -0.745 18.141 19.000 -0.189 0.000 0.810 392 A HN 0.434 nan 8.150 nan 0.000 0.445 393 A N -0.109 122.756 122.820 0.074 0.000 1.930 393 A HA -0.127 4.185 4.320 -0.013 0.000 0.217 393 A C 1.915 179.523 177.584 0.040 0.000 1.175 393 A CA 1.464 53.522 52.037 0.035 0.000 0.627 393 A CB -0.438 18.527 19.000 -0.059 0.000 0.815 393 A HN 0.604 nan 8.150 nan 0.000 0.443 394 E N -0.678 119.565 120.200 0.071 0.000 2.051 394 E HA -0.206 4.135 4.350 -0.013 0.000 0.192 394 E C 1.964 178.720 176.600 0.260 0.000 0.991 394 E CA 1.289 57.775 56.400 0.143 0.000 0.799 394 E CB -0.294 29.475 29.700 0.115 0.000 0.748 394 E HN 0.492 nan 8.360 nan 0.000 0.449 395 L N 1.192 122.586 121.223 0.286 0.000 2.012 395 L HA -0.182 4.150 4.340 -0.013 0.000 0.210 395 L C 2.250 179.161 176.870 0.068 0.000 1.073 395 L CA 2.003 56.928 54.840 0.142 0.000 0.748 395 L CB -0.902 41.207 42.059 0.083 0.000 0.891 395 L HN 0.033 nan 8.230 nan 0.000 0.431 396 T N -0.162 114.453 114.554 0.102 0.000 2.720 396 T HA -0.256 4.086 4.350 -0.013 0.000 0.268 396 T C 1.990 176.721 174.700 0.052 0.000 1.037 396 T CA 1.670 63.838 62.100 0.113 0.000 1.144 396 T CB -0.350 68.620 68.868 0.170 0.000 0.864 396 T HN 0.386 nan 8.240 nan 0.000 0.444 397 R N 1.041 121.556 120.500 0.026 0.000 2.127 397 R HA -0.119 4.213 4.340 -0.013 0.000 0.238 397 R C 1.844 178.151 176.300 0.011 0.000 1.134 397 R CA 1.203 57.303 56.100 -0.000 0.000 0.975 397 R CB -0.135 30.166 30.300 0.002 0.000 0.865 397 R HN 0.306 nan 8.270 nan 0.000 0.447 398 E N -0.254 119.958 120.200 0.019 0.000 2.396 398 E HA -0.104 4.238 4.350 -0.013 0.000 0.200 398 E C 1.049 177.637 176.600 -0.019 0.000 1.023 398 E CA 1.082 57.473 56.400 -0.015 0.000 0.857 398 E CB -0.205 29.441 29.700 -0.091 0.000 0.775 398 E HN 0.664 nan 8.360 nan 0.000 0.525 399 G N 0.980 109.777 108.800 -0.004 0.000 2.160 399 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.244 399 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.244 399 G C 0.745 175.643 174.900 -0.003 0.000 1.022 399 G CA 0.525 45.623 45.100 -0.003 0.000 0.741 399 G HN 0.341 nan 8.290 nan 0.000 0.508 400 L N -0.526 120.700 121.223 0.004 0.000 2.567 400 L HA 0.407 4.739 4.340 -0.013 0.000 0.225 400 L C 2.305 179.188 176.870 0.022 0.000 1.119 400 L CA 0.856 55.700 54.840 0.006 0.000 0.871 400 L CB 0.084 42.142 42.059 -0.002 0.000 1.036 400 L HN 0.989 nan 8.230 nan 0.000 0.459 401 G N 0.385 109.212 108.800 0.044 0.000 2.176 401 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.253 401 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.253 401 G C 0.164 175.111 174.900 0.079 0.000 0.979 401 G CA -0.147 44.990 45.100 0.062 0.000 0.641 401 G HN 0.190 nan 8.290 nan 0.000 0.530 402 L N 2.085 123.346 121.223 0.064 0.000 2.334 402 L HA 0.633 4.965 4.340 -0.013 0.000 0.275 402 L C -1.672 175.226 176.870 0.045 0.000 1.036 402 L CA -2.267 52.603 54.840 0.050 0.000 0.807 402 L CB 1.947 44.027 42.059 0.036 0.000 1.231 402 L HN 0.004 nan 8.230 nan 0.000 0.438 403 P HA 0.386 nan 4.420 nan 0.000 0.288 403 P C -1.474 175.745 177.300 -0.135 0.000 1.297 403 P CA -0.694 62.342 63.100 -0.106 0.000 0.864 403 P CB 1.780 33.344 31.700 -0.226 0.000 1.237 404 A N 0.356 123.170 122.820 -0.011 0.000 2.310 404 A HA 0.559 4.871 4.320 -0.013 0.000 0.299 404 A C -0.985 176.539 177.584 -0.098 0.000 1.147 404 A CA -0.292 51.779 52.037 0.057 0.000 0.818 404 A CB -0.215 18.974 19.000 0.315 0.000 1.096 404 A HN 0.431 nan 8.150 nan 0.000 0.495 405 Y N 0.236 120.465 120.300 -0.118 0.000 2.360 405 Y HA 0.544 5.086 4.550 -0.014 0.000 0.337 405 Y C -0.794 175.071 175.900 -0.059 0.000 1.039 405 Y CA -0.009 58.142 58.100 0.084 0.000 1.109 405 Y CB 1.409 39.977 38.460 0.181 0.000 1.201 405 Y HN 0.577 nan 8.280 nan 0.000 0.458 406 Y N 1.036 121.643 120.300 0.512 0.000 2.391 406 Y HA 0.281 4.823 4.550 -0.014 0.000 0.341 406 Y C -0.252 175.580 175.900 -0.113 0.000 0.965 406 Y CA -1.371 56.861 58.100 0.221 0.000 1.067 406 Y CB 1.558 40.159 38.460 0.235 0.000 1.199 406 Y HN 0.525 nan 8.280 nan 0.000 0.450 407 N N 2.291 120.603 118.700 -0.646 0.000 2.437 407 N HA 0.097 4.829 4.740 -0.013 0.000 0.243 407 N C 0.197 175.480 175.510 -0.378 0.000 1.041 407 N CA 0.087 52.608 53.050 -0.882 0.000 0.940 407 N CB 0.640 38.130 38.487 -1.661 0.000 1.133 407 N HN 0.606 nan 8.380 nan 0.000 0.506 408 D N 1.809 122.183 120.400 -0.042 0.000 2.123 408 D HA -0.157 4.475 4.640 -0.013 0.000 0.196 408 D C 1.138 177.419 176.300 -0.033 0.000 0.992 408 D CA 1.203 55.244 54.000 0.067 0.000 0.833 408 D CB 0.290 41.208 40.800 0.197 0.000 0.954 408 D HN 0.601 nan 8.370 nan 0.000 0.455 409 E N 0.008 120.203 120.200 -0.008 0.000 2.160 409 E HA -0.110 4.232 4.350 -0.013 0.000 0.195 409 E C 2.206 178.776 176.600 -0.049 0.000 0.991 409 E CA 0.450 56.862 56.400 0.020 0.000 0.810 409 E CB -0.129 29.607 29.700 0.059 0.000 0.742 409 E HN 0.243 nan 8.360 nan 0.000 0.466 410 V N 0.720 120.487 119.914 -0.245 0.000 2.492 410 V HA -0.048 4.064 4.120 -0.013 0.000 0.241 410 V C 2.309 178.169 176.094 -0.390 0.000 1.041 410 V CA 0.522 62.578 62.300 -0.407 0.000 1.057 410 V CB -0.175 31.253 31.823 -0.657 0.000 0.711 410 V HN 0.121 nan 8.190 nan 0.000 0.468 411 I N 0.033 120.292 120.570 -0.519 0.000 2.179 411 I HA -0.265 3.897 4.170 -0.013 0.000 0.242 411 I C 2.319 178.213 176.117 -0.371 0.000 1.088 411 I CA 1.848 62.806 61.300 -0.571 0.000 1.357 411 I CB -0.301 37.116 38.000 -0.972 0.000 1.051 411 I HN 0.236 nan 8.210 nan 0.000 0.409 412 I N 0.803 121.212 120.570 -0.268 0.000 2.099 412 I HA -0.232 3.930 4.170 -0.013 0.000 0.239 412 I C -0.323 175.773 176.117 -0.036 0.000 1.066 412 I CA 1.931 63.158 61.300 -0.123 0.000 1.324 412 I CB -1.702 36.281 38.000 -0.030 0.000 1.037 412 I HN 0.146 nan 8.210 nan 0.000 0.401 413 P HA -0.176 nan 4.420 nan 0.000 0.215 413 P C 1.458 178.839 177.300 0.135 0.000 1.153 413 P CA 1.865 65.035 63.100 0.115 0.000 0.853 413 P CB -0.044 31.795 31.700 0.232 0.000 0.788 414 A N -0.732 122.183 122.820 0.158 0.000 1.902 414 A HA -0.170 4.142 4.320 -0.013 0.000 0.217 414 A C 2.194 179.801 177.584 0.039 0.000 1.181 414 A CA 1.474 53.606 52.037 0.158 0.000 0.623 414 A CB -1.624 17.448 19.000 0.121 0.000 0.818 414 A HN 0.123 nan 8.150 nan 0.000 0.443 415 L N -0.730 120.468 121.223 -0.041 0.000 2.109 415 L HA -0.111 4.221 4.340 -0.013 0.000 0.207 415 L C 2.476 179.324 176.870 -0.037 0.000 1.086 415 L CA 0.773 55.563 54.840 -0.083 0.000 0.760 415 L CB -0.471 41.505 42.059 -0.138 0.000 0.910 415 L HN 0.234 nan 8.230 nan 0.000 0.437 416 V N -0.099 119.811 119.914 -0.006 0.000 2.407 416 V HA -0.258 3.854 4.120 -0.013 0.000 0.248 416 V C 2.688 178.805 176.094 0.038 0.000 1.055 416 V CA 1.977 64.287 62.300 0.018 0.000 1.049 416 V CB -0.526 31.314 31.823 0.028 0.000 0.662 416 V HN 0.634 nan 8.190 nan 0.000 0.455 417 S N 0.082 115.809 115.700 0.046 0.000 2.447 417 S HA -0.142 4.320 4.470 -0.013 0.000 0.233 417 S C 1.836 176.475 174.600 0.065 0.000 1.006 417 S CA 0.741 58.973 58.200 0.052 0.000 0.957 417 S CB -0.316 62.919 63.200 0.059 0.000 0.773 417 S HN 0.465 nan 8.310 nan 0.000 0.507 418 R N 0.824 121.364 120.500 0.066 0.000 2.310 418 R HA 0.265 4.597 4.340 -0.013 0.000 0.202 418 R C 1.561 177.976 176.300 0.190 0.000 0.933 418 R CA 0.637 56.811 56.100 0.122 0.000 1.054 418 R CB -0.354 29.976 30.300 0.050 0.000 0.985 418 R HN 0.687 nan 8.270 nan 0.000 0.489 419 G N 0.077 108.950 108.800 0.121 0.000 2.211 419 G HA2 -0.186 3.766 3.960 -0.013 0.000 0.201 419 G HA3 -0.186 3.766 3.960 -0.013 0.000 0.201 419 G C 0.107 175.086 174.900 0.132 0.000 0.997 419 G CA -0.508 44.677 45.100 0.140 0.000 0.652 419 G HN 0.136 nan 8.290 nan 0.000 0.500 420 L N 2.457 123.678 121.223 -0.003 0.000 2.395 420 L HA 0.466 4.798 4.340 -0.013 0.000 0.269 420 L C 1.624 178.532 176.870 0.063 0.000 1.133 420 L CA 0.077 54.859 54.840 -0.096 0.000 0.812 420 L CB 0.691 42.587 42.059 -0.272 0.000 1.125 420 L HN 0.408 nan 8.230 nan 0.000 0.452 421 T N -0.980 113.663 114.554 0.148 0.000 2.748 421 T HA 0.078 4.420 4.350 -0.013 0.000 0.304 421 T C 0.977 175.720 174.700 0.072 0.000 1.041 421 T CA -0.652 61.516 62.100 0.114 0.000 1.033 421 T CB 1.056 70.002 68.868 0.130 0.000 0.995 421 T HN 0.470 nan 8.240 nan 0.000 0.536 422 L N 0.559 121.816 121.223 0.057 0.000 2.083 422 L HA 0.048 4.380 4.340 -0.013 0.000 0.209 422 L C 2.402 179.295 176.870 0.040 0.000 1.083 422 L CA 1.795 56.659 54.840 0.040 0.000 0.752 422 L CB -1.218 40.862 42.059 0.035 0.000 0.899 422 L HN 0.770 nan 8.230 nan 0.000 0.433 423 E N -0.217 120.013 120.200 0.050 0.000 2.077 423 E HA -0.183 4.159 4.350 -0.013 0.000 0.193 423 E C 1.930 178.569 176.600 0.065 0.000 0.989 423 E CA 1.404 57.832 56.400 0.047 0.000 0.800 423 E CB -0.295 29.435 29.700 0.051 0.000 0.746 423 E HN 0.479 nan 8.360 nan 0.000 0.452 424 D N -0.102 120.356 120.400 0.097 0.000 2.117 424 D HA -0.068 4.564 4.640 -0.013 0.000 0.198 424 D C 1.825 178.180 176.300 0.091 0.000 0.982 424 D CA 1.390 55.464 54.000 0.125 0.000 0.828 424 D CB -0.328 40.599 40.800 0.211 0.000 0.967 424 D HN 0.188 nan 8.370 nan 0.000 0.464 425 A N 0.971 123.824 122.820 0.055 0.000 1.902 425 A HA -0.186 4.126 4.320 -0.013 0.000 0.217 425 A C 2.133 179.791 177.584 0.123 0.000 1.181 425 A CA 1.285 53.350 52.037 0.046 0.000 0.623 425 A CB -0.501 18.500 19.000 0.002 0.000 0.818 425 A HN 0.125 nan 8.150 nan 0.000 0.443 426 R N -0.881 119.663 120.500 0.073 0.000 2.241 426 R HA -0.106 4.226 4.340 -0.013 0.000 0.224 426 R C 0.493 176.808 176.300 0.024 0.000 1.101 426 R CA 1.233 57.357 56.100 0.041 0.000 0.995 426 R CB -0.177 30.098 30.300 -0.041 0.000 0.870 426 R HN 0.495 nan 8.270 nan 0.000 0.463 427 D N -0.040 120.392 120.400 0.054 0.000 2.491 427 D HA -0.006 4.626 4.640 -0.013 0.000 0.228 427 D C -0.536 175.784 176.300 0.033 0.000 1.183 427 D CA -0.486 53.520 54.000 0.010 0.000 0.827 427 D CB 0.037 40.862 40.800 0.042 0.000 0.989 427 D HN 0.138 nan 8.370 nan 0.000 0.494 428 Y N -1.186 119.099 120.300 -0.025 0.000 2.357 428 Y HA 0.587 5.130 4.550 -0.013 0.000 0.340 428 Y C 0.578 176.463 175.900 -0.026 0.000 1.260 428 Y CA -0.752 57.334 58.100 -0.023 0.000 1.425 428 Y CB 0.807 39.233 38.460 -0.057 0.000 1.326 428 Y HN -0.104 nan 8.280 nan 0.000 0.580 429 G N 2.131 110.956 108.800 0.041 0.000 2.658 429 G HA2 0.616 4.568 3.960 -0.013 0.000 0.292 429 G HA3 0.616 4.568 3.960 -0.013 0.000 0.292 429 G C -1.997 172.921 174.900 0.029 0.000 1.320 429 G CA -1.096 43.971 45.100 -0.055 0.000 0.933 429 G HN 0.622 nan 8.290 nan 0.000 0.476 430 I N 0.503 121.022 120.570 -0.085 0.000 2.412 430 I HA 0.400 4.562 4.170 -0.013 0.000 0.296 430 I C -0.335 175.730 176.117 -0.086 0.000 0.987 430 I CA -0.797 60.416 61.300 -0.145 0.000 1.180 430 I CB 1.818 39.551 38.000 -0.445 0.000 1.340 430 I HN 0.140 nan 8.210 nan 0.000 0.455 431 I N 5.546 126.048 120.570 -0.113 0.000 2.359 431 I HA 0.431 4.593 4.170 -0.013 0.000 0.294 431 I C 1.206 177.300 176.117 -0.039 0.000 0.987 431 I CA 0.009 61.269 61.300 -0.068 0.000 1.225 431 I CB 0.397 38.314 38.000 -0.139 0.000 1.366 431 I HN 0.840 nan 8.210 nan 0.000 0.466 432 G N 5.721 114.522 108.800 0.002 0.000 2.793 432 G HA2 -0.360 3.592 3.960 -0.013 0.000 0.334 432 G HA3 -0.360 3.592 3.960 -0.013 0.000 0.334 432 G C 1.008 175.947 174.900 0.066 0.000 1.186 432 G CA 0.819 45.937 45.100 0.030 0.000 0.960 432 G HN 0.596 nan 8.290 nan 0.000 0.562 433 C N -0.757 118.494 119.300 -0.081 0.000 2.664 433 C HA 0.491 4.943 4.460 -0.013 0.000 0.285 433 C C 2.354 177.324 174.990 -0.033 0.000 1.386 433 C CA 2.161 61.137 59.018 -0.071 0.000 1.753 433 C CB -0.446 27.085 27.740 -0.349 0.000 2.115 433 C HN 1.413 nan 8.230 nan 0.000 0.577 434 V N -1.786 118.032 119.914 -0.160 0.000 3.537 434 V HA 0.320 4.432 4.120 -0.013 0.000 0.315 434 V C -0.761 175.411 176.094 0.130 0.000 1.541 434 V CA -0.087 62.284 62.300 0.118 0.000 1.160 434 V CB -0.826 31.021 31.823 0.040 0.000 0.998 434 V HN 0.354 nan 8.190 nan 0.000 0.473 435 E N 4.815 125.002 120.200 -0.021 0.000 2.070 435 E HA 0.393 4.735 4.350 -0.013 0.000 0.282 435 E C -2.536 173.962 176.600 -0.170 0.000 1.104 435 E CA -1.567 54.804 56.400 -0.049 0.000 0.876 435 E CB 0.890 30.540 29.700 -0.083 0.000 1.055 435 E HN 0.452 nan 8.360 nan 0.000 0.401 436 P HA 0.075 nan 4.420 nan 0.000 0.282 436 P C -1.020 176.237 177.300 -0.071 0.000 1.249 436 P CA -0.534 62.547 63.100 -0.033 0.000 0.806 436 P CB 1.146 32.797 31.700 -0.081 0.000 0.984 437 Q N 0.067 119.887 119.800 0.034 0.000 2.633 437 Q HA 0.488 4.820 4.340 -0.013 0.000 0.289 437 Q C -1.466 174.631 176.000 0.162 0.000 0.940 437 Q CA -1.150 54.718 55.803 0.109 0.000 0.785 437 Q CB 0.971 29.828 28.738 0.197 0.000 1.467 437 Q HN 0.045 nan 8.270 nan 0.000 0.401 438 K N 1.923 122.428 120.400 0.175 0.000 2.284 438 K HA 0.433 4.745 4.320 -0.013 0.000 0.287 438 K C -2.592 174.142 176.600 0.222 0.000 1.081 438 K CA -1.830 54.575 56.287 0.195 0.000 0.910 438 K CB 0.811 33.440 32.500 0.215 0.000 1.088 438 K HN 0.370 nan 8.250 nan 0.000 0.478 439 P HA 0.078 nan 4.420 nan 0.000 0.267 439 P C 0.283 177.676 177.300 0.154 0.000 1.200 439 P CA 0.694 63.903 63.100 0.182 0.000 0.772 439 P CB 0.691 32.513 31.700 0.202 0.000 0.855 440 G N 1.589 110.455 108.800 0.109 0.000 2.175 440 G HA2 -0.317 3.635 3.960 -0.013 0.000 0.265 440 G HA3 -0.317 3.635 3.960 -0.013 0.000 0.265 440 G C 0.617 175.559 174.900 0.069 0.000 0.979 440 G CA 0.529 45.663 45.100 0.057 0.000 0.663 440 G HN 0.604 nan 8.290 nan 0.000 0.533 441 K N -0.779 119.699 120.400 0.129 0.000 2.585 441 K HA 0.169 4.481 4.320 -0.013 0.000 0.210 441 K C -0.048 176.661 176.600 0.182 0.000 1.294 441 K CA 0.384 56.743 56.287 0.119 0.000 1.025 441 K CB 1.212 33.812 32.500 0.166 0.000 1.076 441 K HN 0.286 nan 8.250 nan 0.000 0.613 442 T N 0.712 115.398 114.554 0.220 0.000 2.893 442 T HA 0.280 4.622 4.350 -0.013 0.000 0.291 442 T C -1.185 173.619 174.700 0.175 0.000 1.028 442 T CA -0.624 61.633 62.100 0.261 0.000 0.995 442 T CB 2.416 71.525 68.868 0.402 0.000 1.051 442 T HN -0.081 nan 8.240 nan 0.000 0.470 443 E N 0.953 121.225 120.200 0.120 0.000 2.489 443 E HA 0.495 4.837 4.350 -0.013 0.000 0.232 443 E C 0.933 177.575 176.600 0.069 0.000 0.990 443 E CA -0.533 55.911 56.400 0.074 0.000 0.768 443 E CB -0.101 29.588 29.700 -0.018 0.000 1.270 443 E HN 0.778 nan 8.360 nan 0.000 0.423 444 G N 2.058 110.904 108.800 0.077 0.000 2.551 444 G HA2 -0.132 3.820 3.960 -0.013 0.000 0.216 444 G HA3 -0.132 3.820 3.960 -0.013 0.000 0.216 444 G C -0.097 174.643 174.900 -0.267 0.000 1.137 444 G CA -0.143 44.789 45.100 -0.280 0.000 0.798 444 G HN 0.642 nan 8.290 nan 0.000 0.536 445 W N 1.097 122.214 121.300 -0.305 0.000 6.351 445 W HA -0.168 4.485 4.660 -0.012 0.000 0.403 445 W C 0.807 177.238 176.519 -0.147 0.000 1.540 445 W CA -0.104 57.154 57.345 -0.143 0.000 1.055 445 W CB -2.432 26.948 29.460 -0.133 0.000 2.721 445 W HN 0.453 nan 8.180 nan 0.000 1.542 446 H N -0.807 118.353 119.070 0.149 0.000 2.570 446 H HA -0.032 4.516 4.556 -0.013 0.000 0.280 446 H C 0.966 176.305 175.328 0.019 0.000 1.038 446 H CA 1.660 57.777 56.048 0.114 0.000 1.186 446 H CB 0.204 30.090 29.762 0.206 0.000 1.339 446 H HN 0.170 nan 8.280 nan 0.000 0.615 447 D N -0.477 119.799 120.400 -0.207 0.000 3.285 447 D HA -0.009 4.623 4.640 -0.013 0.000 0.273 447 D C 0.733 176.524 176.300 -0.847 0.000 1.295 447 D CA -0.034 53.716 54.000 -0.417 0.000 0.762 447 D CB -0.033 40.593 40.800 -0.291 0.000 1.379 447 D HN 0.074 nan 8.370 nan 0.000 0.612 448 S N -0.430 114.917 115.700 -0.588 0.000 2.562 448 S HA 0.585 5.047 4.470 -0.013 0.000 0.221 448 S C 0.865 175.213 174.600 -0.419 0.000 0.975 448 S CA 0.433 58.257 58.200 -0.627 0.000 0.918 448 S CB 0.429 63.646 63.200 0.030 0.000 0.772 448 S HN 0.566 nan 8.310 nan 0.000 0.531 449 A N -0.087 122.478 122.820 -0.423 0.000 2.522 449 A HA 0.631 4.943 4.320 -0.013 0.000 0.294 449 A C -1.930 175.432 177.584 -0.371 0.000 1.001 449 A CA -0.931 50.961 52.037 -0.242 0.000 0.642 449 A CB 0.083 19.086 19.000 0.006 0.000 1.326 449 A HN 0.288 nan 8.150 nan 0.000 0.435 450 F N 0.164 120.182 119.950 0.113 0.000 2.493 450 F HA 0.641 5.160 4.527 -0.013 0.000 0.329 450 F C -0.548 175.504 175.800 0.420 0.000 1.126 450 F CA -0.308 57.772 58.000 0.134 0.000 0.937 450 F CB 2.046 40.969 39.000 -0.129 0.000 1.146 450 F HN 0.572 nan 8.300 nan 0.000 0.442 451 F N 4.394 124.564 119.950 0.368 0.000 2.444 451 F HA 0.390 4.910 4.527 -0.013 0.000 0.342 451 F C -0.154 175.643 175.800 -0.005 0.000 1.121 451 F CA -0.771 57.338 58.000 0.182 0.000 0.997 451 F CB 0.851 39.889 39.000 0.062 0.000 1.130 451 F HN 0.331 nan 8.300 nan 0.000 0.454 452 N N 7.091 125.366 118.700 -0.708 0.000 2.482 452 N HA 0.120 4.852 4.740 -0.013 0.000 0.242 452 N C 0.837 176.070 175.510 -0.462 0.000 1.100 452 N CA 0.184 52.778 53.050 -0.761 0.000 0.946 452 N CB 0.546 38.229 38.487 -1.340 0.000 1.227 452 N HN 0.879 nan 8.380 nan 0.000 0.508 453 L N 2.598 123.757 121.223 -0.107 0.000 2.046 453 L HA -0.141 4.191 4.340 -0.013 0.000 0.208 453 L C 2.328 179.201 176.870 0.005 0.000 1.077 453 L CA 1.317 56.186 54.840 0.049 0.000 0.747 453 L CB -0.433 41.656 42.059 0.050 0.000 0.896 453 L HN 0.512 nan 8.230 nan 0.000 0.432 454 A N 0.192 122.975 122.820 -0.062 0.000 1.940 454 A HA -0.262 4.050 4.320 -0.013 0.000 0.219 454 A C 2.364 179.888 177.584 -0.100 0.000 1.176 454 A CA 1.855 53.863 52.037 -0.049 0.000 0.631 454 A CB -0.526 18.437 19.000 -0.062 0.000 0.814 454 A HN 0.286 nan 8.150 nan 0.000 0.446 455 R N -0.260 120.101 120.500 -0.232 0.000 2.120 455 R HA -0.065 4.267 4.340 -0.013 0.000 0.234 455 R C 1.631 177.799 176.300 -0.221 0.000 1.123 455 R CA 1.361 57.282 56.100 -0.298 0.000 0.975 455 R CB -0.371 29.623 30.300 -0.510 0.000 0.866 455 R HN 0.473 nan 8.270 nan 0.000 0.446 456 I N -0.206 120.284 120.570 -0.135 0.000 2.439 456 I HA -0.161 4.001 4.170 -0.013 0.000 0.251 456 I C 1.986 178.153 176.117 0.083 0.000 1.139 456 I CA 0.880 62.173 61.300 -0.012 0.000 1.438 456 I CB -0.830 37.227 38.000 0.094 0.000 1.085 456 I HN 0.015 nan 8.210 nan 0.000 0.427 457 V N 0.816 120.800 119.914 0.116 0.000 2.358 457 V HA -0.235 3.877 4.120 -0.013 0.000 0.246 457 V C 2.449 178.566 176.094 0.039 0.000 1.047 457 V CA 1.534 63.913 62.300 0.132 0.000 1.035 457 V CB -0.561 31.337 31.823 0.125 0.000 0.658 457 V HN 0.406 nan 8.190 nan 0.000 0.452 458 E N -0.116 120.073 120.200 -0.018 0.000 2.038 458 E HA -0.219 4.123 4.350 -0.013 0.000 0.195 458 E C 2.228 178.804 176.600 -0.040 0.000 1.000 458 E CA 1.234 57.606 56.400 -0.048 0.000 0.803 458 E CB -0.188 29.459 29.700 -0.088 0.000 0.750 458 E HN 0.293 nan 8.360 nan 0.000 0.448 459 L N 0.869 122.065 121.223 -0.044 0.000 2.127 459 L HA -0.152 4.180 4.340 -0.013 0.000 0.211 459 L C 2.360 179.230 176.870 0.001 0.000 1.089 459 L CA 1.689 56.525 54.840 -0.007 0.000 0.757 459 L CB -1.523 40.547 42.059 0.019 0.000 0.899 459 L HN 0.192 nan 8.230 nan 0.000 0.434 460 T N -0.285 114.247 114.554 -0.037 0.000 2.777 460 T HA -0.078 4.264 4.350 -0.013 0.000 0.266 460 T C 2.073 176.695 174.700 -0.130 0.000 1.040 460 T CA 0.964 62.986 62.100 -0.131 0.000 1.141 460 T CB -0.041 68.628 68.868 -0.331 0.000 0.868 460 T HN 0.190 nan 8.240 nan 0.000 0.444 461 I N 1.492 121.979 120.570 -0.139 0.000 2.394 461 I HA -0.097 4.065 4.170 -0.013 0.000 0.251 461 I C 1.624 177.726 176.117 -0.025 0.000 1.136 461 I CA 0.934 62.081 61.300 -0.255 0.000 1.425 461 I CB -0.176 37.650 38.000 -0.290 0.000 1.079 461 I HN 0.185 nan 8.210 nan 0.000 0.425 462 N N 0.572 119.283 118.700 0.019 0.000 2.276 462 N HA 0.062 4.794 4.740 -0.013 0.000 0.212 462 N C 0.068 175.649 175.510 0.118 0.000 1.127 462 N CA 0.165 53.268 53.050 0.088 0.000 0.834 462 N CB 0.617 39.162 38.487 0.097 0.000 1.014 462 N HN 0.016 nan 8.380 nan 0.000 0.491 463 S N -0.058 115.696 115.700 0.089 0.000 3.559 463 S HA -0.200 4.262 4.470 -0.013 0.000 0.369 463 S C 1.316 175.976 174.600 0.100 0.000 0.987 463 S CA 0.761 59.012 58.200 0.085 0.000 1.187 463 S CB -1.634 61.618 63.200 0.088 0.000 0.914 463 S HN 0.759 nan 8.310 nan 0.000 0.480 464 G N -0.333 108.522 108.800 0.092 0.000 2.220 464 G HA2 -0.356 3.596 3.960 -0.013 0.000 0.269 464 G HA3 -0.356 3.596 3.960 -0.013 0.000 0.269 464 G C 0.012 174.979 174.900 0.113 0.000 0.977 464 G CA 0.484 45.640 45.100 0.094 0.000 0.634 464 G HN 0.861 nan 8.290 nan 0.000 0.539 465 F N 1.874 121.823 119.950 -0.002 0.000 2.410 465 F HA 0.586 5.105 4.527 -0.014 0.000 0.348 465 F C 0.126 175.916 175.800 -0.016 0.000 1.106 465 F CA -0.465 57.530 58.000 -0.007 0.000 1.163 465 F CB 1.297 40.294 39.000 -0.005 0.000 1.129 465 F HN 0.102 nan 8.300 nan 0.000 0.516 466 D N 4.811 124.947 120.400 -0.441 0.000 2.936 466 D HA 0.347 4.979 4.640 -0.013 0.000 0.238 466 D C -0.289 175.786 176.300 -0.374 0.000 1.248 466 D CA -0.266 53.572 54.000 -0.270 0.000 0.903 466 D CB 1.140 41.826 40.800 -0.190 0.000 1.544 466 D HN 0.632 nan 8.370 nan 0.000 0.543 467 K N 2.016 122.299 120.400 -0.194 0.000 7.465 467 K HA -0.307 4.005 4.320 -0.013 0.000 0.355 467 K C -0.075 176.427 176.600 -0.164 0.000 0.642 467 K CA 1.644 57.845 56.287 -0.143 0.000 1.228 467 K CB -1.007 31.401 32.500 -0.154 0.000 0.788 467 K HN 0.550 nan 8.250 nan 0.000 0.961 468 N N 1.464 119.992 118.700 -0.286 0.000 2.628 468 N HA 0.127 4.859 4.740 -0.013 0.000 0.299 468 N C -1.924 173.355 175.510 -0.386 0.000 1.834 468 N CA -0.140 52.787 53.050 -0.206 0.000 0.871 468 N CB 0.448 38.936 38.487 0.002 0.000 1.377 468 N HN 0.290 nan 8.380 nan 0.000 0.493 469 K N -0.773 119.070 120.400 -0.928 0.000 2.578 469 K HA 0.225 4.537 4.320 -0.013 0.000 0.269 469 K C -1.384 174.801 176.600 -0.692 0.000 0.941 469 K CA -0.951 54.991 56.287 -0.576 0.000 0.847 469 K CB 1.272 33.606 32.500 -0.276 0.000 1.397 469 K HN -0.237 nan 8.250 nan 0.000 0.422 470 Q N 2.815 122.475 119.800 -0.234 0.000 2.423 470 Q HA 0.233 4.565 4.340 -0.013 0.000 0.235 470 Q C 0.369 176.319 176.000 -0.085 0.000 1.100 470 Q CA -0.218 55.552 55.803 -0.056 0.000 0.908 470 Q CB 0.338 29.129 28.738 0.088 0.000 1.312 470 Q HN 0.775 nan 8.270 nan 0.000 0.497 471 I N -0.062 120.459 120.570 -0.081 0.000 3.228 471 I HA 0.462 4.624 4.170 -0.013 0.000 0.279 471 I C 0.838 176.984 176.117 0.047 0.000 1.221 471 I CA 0.045 61.350 61.300 0.008 0.000 1.458 471 I CB 0.452 38.480 38.000 0.047 0.000 1.105 471 I HN 0.425 nan 8.210 nan 0.000 0.445 472 G N 0.887 109.683 108.800 -0.007 0.000 3.013 472 G HA2 0.620 4.572 3.960 -0.013 0.000 0.278 472 G HA3 0.620 4.572 3.960 -0.013 0.000 0.278 472 G C -2.975 171.693 174.900 -0.387 0.000 1.353 472 G CA -1.626 43.321 45.100 -0.255 0.000 1.043 472 G HN -0.080 nan 8.290 nan 0.000 0.523 473 P HA 0.144 nan 4.420 nan 0.000 0.269 473 P C -0.539 176.688 177.300 -0.123 0.000 1.217 473 P CA -0.037 62.878 63.100 -0.308 0.000 0.783 473 P CB 0.565 32.122 31.700 -0.239 0.000 0.898 474 K N 1.853 122.208 120.400 -0.076 0.000 2.184 474 K HA 0.202 4.514 4.320 -0.013 0.000 0.259 474 K C -0.188 176.406 176.600 -0.009 0.000 1.119 474 K CA -0.307 55.970 56.287 -0.016 0.000 0.991 474 K CB -0.608 31.890 32.500 -0.003 0.000 1.522 474 K HN 0.482 nan 8.250 nan 0.000 0.405 475 T N -0.004 114.549 114.554 -0.000 0.000 2.849 475 T HA 0.059 4.401 4.350 -0.013 0.000 0.284 475 T C 0.234 174.954 174.700 0.033 0.000 1.004 475 T CA -0.868 61.235 62.100 0.006 0.000 1.021 475 T CB 1.052 69.916 68.868 -0.005 0.000 1.013 475 T HN 0.615 nan 8.240 nan 0.000 0.527 476 Q N 1.041 120.865 119.800 0.040 0.000 2.368 476 Q HA -0.100 4.232 4.340 -0.013 0.000 0.331 476 Q C -0.174 175.893 176.000 0.111 0.000 1.086 476 Q CA 0.390 56.233 55.803 0.067 0.000 1.031 476 Q CB -0.048 28.734 28.738 0.072 0.000 1.125 476 Q HN 0.658 nan 8.270 nan 0.000 0.389 477 N N 3.838 122.602 118.700 0.106 0.000 2.454 477 N HA -0.069 4.663 4.740 -0.013 0.000 0.260 477 N C 0.319 175.971 175.510 0.236 0.000 1.218 477 N CA -0.171 52.964 53.050 0.142 0.000 0.904 477 N CB 0.334 38.873 38.487 0.086 0.000 1.065 477 N HN 0.624 nan 8.380 nan 0.000 0.462 478 F N 2.535 122.556 119.950 0.118 0.000 2.120 478 F HA -0.260 4.258 4.527 -0.014 0.000 0.300 478 F C 1.844 177.737 175.800 0.155 0.000 1.095 478 F CA 1.400 59.513 58.000 0.189 0.000 1.249 478 F CB 0.245 39.365 39.000 0.199 0.000 0.995 478 F HN 0.596 nan 8.300 nan 0.000 0.480 479 E N 0.265 120.492 120.200 0.044 0.000 2.160 479 E HA -0.249 4.093 4.350 -0.013 0.000 0.195 479 E C 1.586 178.149 176.600 -0.063 0.000 0.991 479 E CA 1.664 58.010 56.400 -0.089 0.000 0.810 479 E CB -0.201 29.487 29.700 -0.020 0.000 0.742 479 E HN 0.522 nan 8.360 nan 0.000 0.466 480 E N -0.330 119.880 120.200 0.016 0.000 2.489 480 E HA 0.081 4.423 4.350 -0.013 0.000 0.193 480 E C -0.145 176.496 176.600 0.070 0.000 1.057 480 E CA -0.122 56.297 56.400 0.033 0.000 0.866 480 E CB 0.189 29.915 29.700 0.043 0.000 0.916 480 E HN 0.226 nan 8.360 nan 0.000 0.500 481 M N 0.506 120.171 119.600 0.108 0.000 2.217 481 M HA 0.137 4.609 4.480 -0.013 0.000 0.354 481 M C 0.745 177.212 176.300 0.278 0.000 1.225 481 M CA 0.670 56.104 55.300 0.223 0.000 1.137 481 M CB 0.914 33.758 32.600 0.407 0.000 1.576 481 M HN -0.161 nan 8.290 nan 0.000 0.461 482 K N 0.333 120.887 120.400 0.257 0.000 2.412 482 K HA 0.143 4.455 4.320 -0.013 0.000 0.202 482 K C -0.054 176.731 176.600 0.308 0.000 1.102 482 K CA -0.033 56.409 56.287 0.258 0.000 1.027 482 K CB 0.842 33.419 32.500 0.128 0.000 0.931 482 K HN 0.756 nan 8.250 nan 0.000 0.557 483 S N -1.250 114.519 115.700 0.115 0.000 2.627 483 S HA 0.292 4.754 4.470 -0.013 0.000 0.283 483 S C 0.109 174.306 174.600 -0.672 0.000 1.127 483 S CA -0.864 57.264 58.200 -0.120 0.000 0.863 483 S CB 0.945 64.131 63.200 -0.024 0.000 1.121 483 S HN 0.060 nan 8.310 nan 0.000 0.479 484 F N 1.601 121.069 119.950 -0.803 0.000 2.325 484 F HA 0.102 4.621 4.527 -0.012 0.000 0.299 484 F C 1.285 176.932 175.800 -0.254 0.000 1.090 484 F CA 1.238 58.795 58.000 -0.738 0.000 1.392 484 F CB -0.663 38.122 39.000 -0.357 0.000 1.053 484 F HN 0.717 nan 8.300 nan 0.000 0.521 485 D N 0.213 120.492 120.400 -0.202 0.000 2.144 485 D HA -0.179 4.453 4.640 -0.013 0.000 0.199 485 D C 2.060 178.260 176.300 -0.167 0.000 0.984 485 D CA 1.636 55.527 54.000 -0.181 0.000 0.834 485 D CB -0.191 40.568 40.800 -0.068 0.000 0.955 485 D HN 0.432 nan 8.370 nan 0.000 0.465 486 E N -0.656 119.472 120.200 -0.120 0.000 2.150 486 E HA -0.146 4.196 4.350 -0.013 0.000 0.193 486 E C 1.647 178.240 176.600 -0.011 0.000 0.985 486 E CA 0.362 56.739 56.400 -0.038 0.000 0.814 486 E CB -0.108 29.607 29.700 0.024 0.000 0.752 486 E HN 0.292 nan 8.360 nan 0.000 0.466 487 F N 0.987 120.813 119.950 -0.207 0.000 2.146 487 F HA -0.170 4.350 4.527 -0.012 0.000 0.298 487 F C 2.122 177.808 175.800 -0.191 0.000 1.096 487 F CA 1.126 59.054 58.000 -0.120 0.000 1.275 487 F CB 0.067 39.000 39.000 -0.112 0.000 1.008 487 F HN -0.047 nan 8.300 nan 0.000 0.480 488 M N 0.305 119.726 119.600 -0.298 0.000 2.279 488 M HA -0.165 4.307 4.480 -0.013 0.000 0.264 488 M C 1.928 178.175 176.300 -0.088 0.000 1.062 488 M CA 1.479 56.628 55.300 -0.252 0.000 1.099 488 M CB -1.031 31.356 32.600 -0.354 0.000 1.394 488 M HN 0.174 nan 8.290 nan 0.000 0.426 489 K N -0.277 120.061 120.400 -0.104 0.000 2.103 489 K HA 0.032 4.344 4.320 -0.013 0.000 0.204 489 K C 2.084 178.647 176.600 -0.062 0.000 1.052 489 K CA 1.219 57.470 56.287 -0.060 0.000 0.945 489 K CB -0.124 32.346 32.500 -0.049 0.000 0.722 489 K HN 0.250 nan 8.250 nan 0.000 0.443 490 A N 0.822 123.584 122.820 -0.096 0.000 1.930 490 A HA -0.189 4.123 4.320 -0.013 0.000 0.217 490 A C 2.042 179.562 177.584 -0.107 0.000 1.175 490 A CA 1.117 53.094 52.037 -0.100 0.000 0.627 490 A CB -0.656 18.270 19.000 -0.123 0.000 0.815 490 A HN 0.411 nan 8.150 nan 0.000 0.443 491 Y N 0.741 120.848 120.300 -0.323 0.000 2.145 491 Y HA -0.202 4.340 4.550 -0.013 0.000 0.286 491 Y C 2.304 178.148 175.900 -0.093 0.000 1.145 491 Y CA 2.336 60.278 58.100 -0.264 0.000 1.148 491 Y CB -0.263 37.999 38.460 -0.329 0.000 0.981 491 Y HN 0.301 nan 8.280 nan 0.000 0.507 492 K N 0.087 120.412 120.400 -0.124 0.000 2.097 492 K HA -0.126 4.186 4.320 -0.013 0.000 0.205 492 K C 2.215 178.746 176.600 -0.115 0.000 1.050 492 K CA 1.105 57.291 56.287 -0.168 0.000 0.938 492 K CB -0.381 32.085 32.500 -0.056 0.000 0.718 492 K HN 0.386 nan 8.250 nan 0.000 0.442 493 A N 1.076 123.855 122.820 -0.068 0.000 1.933 493 A HA -0.170 4.142 4.320 -0.013 0.000 0.218 493 A C 2.062 179.652 177.584 0.010 0.000 1.175 493 A CA 1.212 53.231 52.037 -0.030 0.000 0.628 493 A CB -0.393 18.589 19.000 -0.030 0.000 0.814 493 A HN 0.354 nan 8.150 nan 0.000 0.444 494 Q N -1.430 118.377 119.800 0.012 0.000 2.079 494 Q HA -0.148 4.184 4.340 -0.013 0.000 0.200 494 Q C 2.073 178.231 176.000 0.263 0.000 0.974 494 Q CA 1.694 57.585 55.803 0.147 0.000 0.840 494 Q CB -0.512 28.304 28.738 0.130 0.000 0.898 494 Q HN 0.679 nan 8.270 nan 0.000 0.430 495 M N 1.356 120.985 119.600 0.049 0.000 2.065 495 M HA -0.213 4.259 4.480 -0.013 0.000 0.259 495 M C 1.965 178.316 176.300 0.084 0.000 1.069 495 M CA 1.947 57.280 55.300 0.055 0.000 1.110 495 M CB -0.415 32.046 32.600 -0.232 0.000 1.328 495 M HN 0.270 nan 8.290 nan 0.000 0.405 496 E N -1.463 118.743 120.200 0.010 0.000 2.070 496 E HA -0.303 4.039 4.350 -0.013 0.000 0.197 496 E C 2.088 178.694 176.600 0.009 0.000 1.004 496 E CA 1.882 58.278 56.400 -0.007 0.000 0.805 496 E CB -0.590 29.100 29.700 -0.016 0.000 0.744 496 E HN 0.677 nan 8.360 nan 0.000 0.451 497 Y N 0.010 120.262 120.300 -0.080 0.000 2.097 497 Y HA -0.244 4.296 4.550 -0.015 0.000 0.282 497 Y C 1.866 177.669 175.900 -0.161 0.000 1.152 497 Y CA 2.222 60.211 58.100 -0.184 0.000 1.136 497 Y CB -0.498 37.767 38.460 -0.326 0.000 0.975 497 Y HN 0.070 nan 8.280 nan 0.000 0.498 498 F N -1.271 118.824 119.950 0.243 0.000 2.259 498 F HA -0.140 4.381 4.527 -0.011 0.000 0.298 498 F C 2.361 178.229 175.800 0.114 0.000 1.088 498 F CA 1.197 59.389 58.000 0.319 0.000 1.358 498 F CB -0.964 38.380 39.000 0.573 0.000 1.040 498 F HN -0.127 nan 8.300 nan 0.000 0.505 499 V N 0.349 120.314 119.914 0.086 0.000 2.343 499 V HA -0.298 3.814 4.120 -0.013 0.000 0.247 499 V C 2.540 178.292 176.094 -0.569 0.000 1.051 499 V CA 1.859 63.972 62.300 -0.311 0.000 1.036 499 V CB -0.598 30.988 31.823 -0.394 0.000 0.654 499 V HN 0.279 nan 8.190 nan 0.000 0.451 500 K N -0.635 119.465 120.400 -0.500 0.000 2.044 500 K HA -0.251 4.061 4.320 -0.013 0.000 0.210 500 K C 2.206 178.380 176.600 -0.711 0.000 1.049 500 K CA 1.954 57.839 56.287 -0.670 0.000 0.927 500 K CB -0.274 31.935 32.500 -0.485 0.000 0.713 500 K HN 0.528 nan 8.250 nan 0.000 0.443 501 H N 0.182 118.998 119.070 -0.423 0.000 2.428 501 H HA -0.084 4.465 4.556 -0.012 0.000 0.296 501 H C 2.025 177.156 175.328 -0.328 0.000 1.062 501 H CA 1.478 57.361 56.048 -0.276 0.000 1.350 501 H CB -0.107 29.573 29.762 -0.137 0.000 1.403 501 H HN 0.371 nan 8.280 nan 0.000 0.533 502 M N -0.030 119.188 119.600 -0.637 0.000 2.086 502 M HA -0.167 4.305 4.480 -0.013 0.000 0.261 502 M C 2.254 178.282 176.300 -0.454 0.000 1.067 502 M CA 1.628 56.312 55.300 -1.027 0.000 1.116 502 M CB -0.240 31.647 32.600 -1.189 0.000 1.348 502 M HN 0.173 nan 8.290 nan 0.000 0.407 503 C N 0.044 118.988 119.300 -0.593 0.000 2.446 503 C HA -0.137 4.315 4.460 -0.013 0.000 0.277 503 C C 2.884 177.681 174.990 -0.322 0.000 1.275 503 C CA 0.730 59.373 59.018 -0.625 0.000 1.727 503 C CB -1.444 25.389 27.740 -1.511 0.000 2.010 503 C HN 0.759 nan 8.230 nan 0.000 0.486 504 C N 0.917 120.021 119.300 -0.327 0.000 2.425 504 C HA -0.068 4.384 4.460 -0.013 0.000 0.277 504 C C 3.112 178.116 174.990 0.024 0.000 1.280 504 C CA 1.287 60.234 59.018 -0.118 0.000 1.744 504 C CB -1.490 26.189 27.740 -0.101 0.000 1.989 504 C HN 0.710 nan 8.230 nan 0.000 0.491 505 A N 0.400 123.252 122.820 0.053 0.000 1.902 505 A HA -0.201 4.111 4.320 -0.013 0.000 0.217 505 A C 1.847 179.557 177.584 0.209 0.000 1.181 505 A CA 2.100 54.230 52.037 0.156 0.000 0.623 505 A CB -0.608 18.520 19.000 0.212 0.000 0.818 505 A HN 0.515 nan 8.150 nan 0.000 0.443 506 D N 0.152 120.683 120.400 0.218 0.000 2.123 506 D HA -0.126 4.506 4.640 -0.013 0.000 0.196 506 D C 1.586 178.094 176.300 0.346 0.000 0.992 506 D CA 1.157 55.388 54.000 0.386 0.000 0.833 506 D CB -0.306 40.778 40.800 0.474 0.000 0.954 506 D HN 0.357 nan 8.370 nan 0.000 0.455 507 N N -0.202 118.626 118.700 0.213 0.000 2.244 507 N HA -0.097 4.635 4.740 -0.013 0.000 0.183 507 N C 1.862 177.406 175.510 0.057 0.000 1.016 507 N CA 0.395 53.498 53.050 0.087 0.000 0.866 507 N CB -0.492 38.031 38.487 0.060 0.000 0.980 507 N HN 0.242 nan 8.380 nan 0.000 0.430 508 C N 0.500 119.870 119.300 0.116 0.000 2.457 508 C HA 0.118 4.570 4.460 -0.013 0.000 0.278 508 C C 2.660 177.760 174.990 0.184 0.000 1.309 508 C CA -0.094 58.991 59.018 0.112 0.000 1.735 508 C CB -0.891 26.969 27.740 0.200 0.000 1.992 508 C HN 0.396 nan 8.230 nan 0.000 0.493 509 I N 0.602 121.354 120.570 0.303 0.000 2.315 509 I HA -0.165 3.997 4.170 -0.013 0.000 0.248 509 I C 2.404 178.830 176.117 0.514 0.000 1.117 509 I CA 1.376 62.926 61.300 0.417 0.000 1.404 509 I CB -0.583 37.738 38.000 0.535 0.000 1.071 509 I HN 0.344 nan 8.210 nan 0.000 0.419 510 D N 1.325 121.972 120.400 0.412 0.000 2.104 510 D HA -0.173 4.459 4.640 -0.013 0.000 0.194 510 D C 2.250 178.607 176.300 0.094 0.000 0.994 510 D CA 1.392 55.466 54.000 0.123 0.000 0.830 510 D CB 0.093 40.655 40.800 -0.397 0.000 0.959 510 D HN 0.132 nan 8.370 nan 0.000 0.452 511 I N 1.275 121.837 120.570 -0.012 0.000 2.208 511 I HA -0.226 3.936 4.170 -0.013 0.000 0.245 511 I C 2.611 178.739 176.117 0.019 0.000 1.097 511 I CA 0.865 62.102 61.300 -0.106 0.000 1.363 511 I CB -1.475 36.278 38.000 -0.412 0.000 1.051 511 I HN -0.073 nan 8.210 nan 0.000 0.413 512 A N 0.136 123.021 122.820 0.108 0.000 1.902 512 A HA -0.230 4.082 4.320 -0.013 0.000 0.217 512 A C 2.239 179.894 177.584 0.117 0.000 1.181 512 A CA 1.486 53.616 52.037 0.155 0.000 0.623 512 A CB -0.935 18.144 19.000 0.131 0.000 0.818 512 A HN 0.429 nan 8.150 nan 0.000 0.443 513 H N -0.670 118.517 119.070 0.194 0.000 2.357 513 H HA 0.004 4.552 4.556 -0.014 0.000 0.301 513 H C 2.538 177.964 175.328 0.162 0.000 1.082 513 H CA 1.418 57.590 56.048 0.206 0.000 1.342 513 H CB -0.290 29.609 29.762 0.230 0.000 1.389 513 H HN 0.525 nan 8.280 nan 0.000 0.511 514 A N 0.687 123.644 122.820 0.229 0.000 1.969 514 A HA -0.155 4.157 4.320 -0.013 0.000 0.218 514 A C 2.321 179.978 177.584 0.121 0.000 1.169 514 A CA 1.606 53.721 52.037 0.130 0.000 0.635 514 A CB -0.232 18.794 19.000 0.043 0.000 0.810 514 A HN 0.459 nan 8.150 nan 0.000 0.445 515 E N -0.834 119.444 120.200 0.131 0.000 2.122 515 E HA -0.033 4.309 4.350 -0.013 0.000 0.190 515 E C 1.968 178.659 176.600 0.151 0.000 0.977 515 E CA 0.602 57.083 56.400 0.134 0.000 0.820 515 E CB 0.074 29.874 29.700 0.167 0.000 0.770 515 E HN 0.548 nan 8.360 nan 0.000 0.462 516 R N -1.231 119.372 120.500 0.172 0.000 2.373 516 R HA 0.312 4.644 4.340 -0.013 0.000 0.221 516 R C -0.019 176.425 176.300 0.240 0.000 0.893 516 R CA 0.506 56.724 56.100 0.197 0.000 1.049 516 R CB 1.427 31.834 30.300 0.178 0.000 1.119 516 R HN -0.069 nan 8.270 nan 0.000 0.535 517 A N 1.916 124.892 122.820 0.259 0.000 3.308 517 A HA 0.369 4.681 4.320 -0.013 0.000 0.275 517 A C -2.643 175.122 177.584 0.301 0.000 0.950 517 A CA -1.227 50.998 52.037 0.312 0.000 0.987 517 A CB 0.377 19.638 19.000 0.434 0.000 1.146 517 A HN -0.115 nan 8.150 nan 0.000 0.488 518 P HA 0.286 nan 4.420 nan 0.000 0.276 518 P C -0.519 176.913 177.300 0.219 0.000 1.235 518 P CA 0.212 63.435 63.100 0.205 0.000 0.772 518 P CB 0.770 32.578 31.700 0.180 0.000 0.871 519 L N 6.490 127.838 121.223 0.208 0.000 2.272 519 L HA 0.273 4.605 4.340 -0.013 0.000 0.284 519 L C -1.564 175.430 176.870 0.207 0.000 1.045 519 L CA -1.902 53.058 54.840 0.201 0.000 0.842 519 L CB 1.439 43.602 42.059 0.172 0.000 1.224 519 L HN 0.235 nan 8.230 nan 0.000 0.430 520 P HA -0.199 nan 4.420 nan 0.000 0.215 520 P C 1.509 178.854 177.300 0.075 0.000 1.157 520 P CA 1.227 64.372 63.100 0.075 0.000 0.863 520 P CB 0.194 31.898 31.700 0.006 0.000 0.787 521 F N -0.096 119.842 119.950 -0.021 0.000 2.060 521 F HA -0.166 4.353 4.527 -0.013 0.000 0.295 521 F C 2.107 177.904 175.800 -0.005 0.000 1.120 521 F CA 1.030 59.010 58.000 -0.032 0.000 1.205 521 F CB -0.835 38.132 39.000 -0.055 0.000 0.986 521 F HN -0.253 nan 8.300 nan 0.000 0.470 522 L N 0.117 121.316 121.223 -0.039 0.000 2.042 522 L HA -0.213 4.119 4.340 -0.013 0.000 0.210 522 L C 2.397 179.190 176.870 -0.128 0.000 1.076 522 L CA 2.082 56.834 54.840 -0.148 0.000 0.749 522 L CB -0.998 41.056 42.059 -0.008 0.000 0.893 522 L HN 0.109 nan 8.230 nan 0.000 0.432 523 S N -0.740 114.961 115.700 0.002 0.000 2.419 523 S HA -0.174 4.288 4.470 -0.013 0.000 0.235 523 S C 2.008 176.642 174.600 0.058 0.000 1.019 523 S CA 1.245 59.495 58.200 0.084 0.000 0.982 523 S CB -0.555 62.821 63.200 0.294 0.000 0.789 523 S HN 0.792 nan 8.310 nan 0.000 0.490 524 S N 0.950 116.624 115.700 -0.043 0.000 2.474 524 S HA 0.089 4.551 4.470 -0.013 0.000 0.235 524 S C 1.323 175.859 174.600 -0.107 0.000 0.997 524 S CA 0.635 58.794 58.200 -0.068 0.000 0.949 524 S CB -0.396 62.728 63.200 -0.127 0.000 0.766 524 S HN 0.485 nan 8.310 nan 0.000 0.517 525 M N 1.352 120.850 119.600 -0.171 0.000 2.404 525 M HA 0.334 4.806 4.480 -0.013 0.000 0.271 525 M C -0.945 175.283 176.300 -0.120 0.000 1.128 525 M CA -0.040 55.153 55.300 -0.178 0.000 0.982 525 M CB 1.243 33.663 32.600 -0.299 0.000 1.445 525 M HN 0.050 nan 8.290 nan 0.000 0.495 526 V N 0.262 120.135 119.914 -0.069 0.000 2.487 526 V HA 0.277 4.389 4.120 -0.013 0.000 0.298 526 V C -0.362 175.718 176.094 -0.022 0.000 1.028 526 V CA -1.175 61.103 62.300 -0.036 0.000 0.860 526 V CB 1.719 33.529 31.823 -0.022 0.000 0.991 526 V HN 0.060 nan 8.190 nan 0.000 0.427 527 D N 3.431 123.819 120.400 -0.020 0.000 2.525 527 D HA 0.073 4.705 4.640 -0.013 0.000 0.235 527 D C 1.048 177.315 176.300 -0.054 0.000 1.137 527 D CA 1.334 55.315 54.000 -0.031 0.000 0.868 527 D CB 0.130 40.910 40.800 -0.033 0.000 1.180 527 D HN 0.836 nan 8.370 nan 0.000 0.465 528 N N 0.234 118.908 118.700 -0.043 0.000 2.941 528 N HA -0.242 4.490 4.740 -0.013 0.000 0.201 528 N C 1.008 176.492 175.510 -0.043 0.000 0.944 528 N CA 0.759 53.776 53.050 -0.054 0.000 1.027 528 N CB -1.249 37.181 38.487 -0.095 0.000 0.992 528 N HN 0.377 nan 8.380 nan 0.000 0.585 529 C N 1.228 120.514 119.300 -0.024 0.000 2.413 529 C HA -0.057 4.395 4.460 -0.013 0.000 0.277 529 C C 2.635 177.689 174.990 0.107 0.000 1.228 529 C CA 1.001 60.010 59.018 -0.014 0.000 1.731 529 C CB -1.043 26.738 27.740 0.068 0.000 2.042 529 C HN 0.408 nan 8.230 nan 0.000 0.468 530 I N 0.769 121.441 120.570 0.169 0.000 2.315 530 I HA -0.074 4.088 4.170 -0.013 0.000 0.248 530 I C 2.669 178.862 176.117 0.127 0.000 1.117 530 I CA 1.663 63.088 61.300 0.208 0.000 1.404 530 I CB -0.846 37.224 38.000 0.117 0.000 1.071 530 I HN 0.462 nan 8.210 nan 0.000 0.419 531 G N 0.841 109.677 108.800 0.061 0.000 2.408 531 G HA2 -0.188 3.764 3.960 -0.013 0.000 0.217 531 G HA3 -0.188 3.764 3.960 -0.013 0.000 0.217 531 G C 1.723 176.637 174.900 0.024 0.000 1.150 531 G CA 0.447 45.569 45.100 0.036 0.000 0.776 531 G HN 0.327 nan 8.290 nan 0.000 0.542 532 K N -0.409 119.985 120.400 -0.009 0.000 2.356 532 K HA 0.248 4.560 4.320 -0.013 0.000 0.195 532 K C 1.511 178.081 176.600 -0.050 0.000 1.037 532 K CA 0.411 56.672 56.287 -0.043 0.000 1.014 532 K CB 0.364 32.808 32.500 -0.095 0.000 0.815 532 K HN 0.302 nan 8.250 nan 0.000 0.507 533 G N 2.321 111.109 108.800 -0.021 0.000 2.160 533 G HA2 -0.279 3.673 3.960 -0.013 0.000 0.244 533 G HA3 -0.279 3.673 3.960 -0.013 0.000 0.244 533 G C -0.419 174.227 174.900 -0.423 0.000 1.022 533 G CA 0.287 45.398 45.100 0.019 0.000 0.741 533 G HN 0.230 nan 8.290 nan 0.000 0.508 534 K N 0.047 120.013 120.400 -0.723 0.000 2.385 534 K HA 0.655 4.967 4.320 -0.013 0.000 0.248 534 K C 0.645 176.538 176.600 -1.179 0.000 0.955 534 K CA -0.170 55.590 56.287 -0.877 0.000 0.816 534 K CB 1.835 34.091 32.500 -0.407 0.000 1.250 534 K HN 0.353 nan 8.250 nan 0.000 0.434 535 S N 1.149 116.307 115.700 -0.904 0.000 2.655 535 S HA 0.158 4.620 4.470 -0.013 0.000 0.265 535 S C 1.120 175.618 174.600 -0.171 0.000 1.240 535 S CA -0.629 57.357 58.200 -0.357 0.000 0.986 535 S CB 0.432 63.624 63.200 -0.014 0.000 0.985 535 S HN 0.427 nan 8.310 nan 0.000 0.562 536 L N 0.665 121.865 121.223 -0.038 0.000 2.046 536 L HA -0.021 4.311 4.340 -0.013 0.000 0.208 536 L C 2.636 179.472 176.870 -0.058 0.000 1.077 536 L CA 1.790 56.605 54.840 -0.042 0.000 0.747 536 L CB -1.939 40.121 42.059 0.002 0.000 0.896 536 L HN 0.713 nan 8.230 nan 0.000 0.432 537 Q N -0.660 119.129 119.800 -0.017 0.000 2.291 537 Q HA -0.109 4.223 4.340 -0.013 0.000 0.205 537 Q C 1.148 177.105 176.000 -0.071 0.000 0.970 537 Q CA 0.973 56.771 55.803 -0.010 0.000 0.876 537 Q CB -0.173 28.613 28.738 0.079 0.000 0.935 537 Q HN 0.437 nan 8.270 nan 0.000 0.455 538 D N -1.515 118.822 120.400 -0.104 0.000 2.388 538 D HA 0.202 4.834 4.640 -0.013 0.000 0.221 538 D C 0.378 176.583 176.300 -0.159 0.000 1.133 538 D CA 0.566 54.486 54.000 -0.132 0.000 0.831 538 D CB 0.676 41.386 40.800 -0.149 0.000 0.962 538 D HN 0.329 nan 8.370 nan 0.000 0.502 539 G N 0.878 109.579 108.800 -0.165 0.000 2.132 539 G HA2 -0.278 3.674 3.960 -0.013 0.000 0.234 539 G HA3 -0.278 3.674 3.960 -0.013 0.000 0.234 539 G C 1.255 176.054 174.900 -0.167 0.000 0.989 539 G CA 0.149 45.147 45.100 -0.170 0.000 0.676 539 G HN 0.440 nan 8.290 nan 0.000 0.522 540 G N 0.380 109.073 108.800 -0.178 0.000 2.470 540 G HA2 0.376 4.327 3.960 -0.013 0.000 0.220 540 G HA3 0.376 4.327 3.960 -0.013 0.000 0.220 540 G C 1.151 175.969 174.900 -0.136 0.000 1.121 540 G CA 1.516 46.510 45.100 -0.176 0.000 0.766 540 G HN 1.833 nan 8.290 nan 0.000 0.553 541 A N 0.172 122.919 122.820 -0.122 0.000 2.445 541 A HA 0.457 4.769 4.320 -0.013 0.000 0.242 541 A C 1.323 178.811 177.584 -0.161 0.000 1.075 541 A CA 0.499 52.472 52.037 -0.107 0.000 0.777 541 A CB 0.588 19.551 19.000 -0.061 0.000 1.013 541 A HN 0.247 nan 8.150 nan 0.000 0.493 542 E N 0.952 121.023 120.200 -0.215 0.000 2.077 542 E HA -0.125 4.217 4.350 -0.013 0.000 0.193 542 E C -0.517 175.802 176.600 -0.468 0.000 0.989 542 E CA 1.603 57.763 56.400 -0.400 0.000 0.800 542 E CB -0.221 29.130 29.700 -0.582 0.000 0.746 542 E HN 0.687 nan 8.360 nan 0.000 0.452 543 Y N 0.239 120.482 120.300 -0.095 0.000 2.364 543 Y HA 0.470 5.012 4.550 -0.014 0.000 0.340 543 Y C -0.271 175.423 175.900 -0.343 0.000 0.975 543 Y CA -1.265 56.711 58.100 -0.207 0.000 1.089 543 Y CB 1.540 40.006 38.460 0.010 0.000 1.192 543 Y HN -0.157 nan 8.280 nan 0.000 0.454 544 N N 4.170 122.569 118.700 -0.501 0.000 2.346 544 N HA 0.503 5.235 4.740 -0.013 0.000 0.289 544 N C -1.518 173.501 175.510 -0.817 0.000 1.027 544 N CA -0.371 52.383 53.050 -0.494 0.000 0.864 544 N CB 1.969 40.247 38.487 -0.350 0.000 1.370 544 N HN 0.491 nan 8.380 nan 0.000 0.481 545 F N -0.308 119.544 119.950 -0.163 0.000 2.726 545 F HA 0.521 5.040 4.527 -0.014 0.000 0.324 545 F C 0.103 175.687 175.800 -0.360 0.000 1.140 545 F CA -0.700 57.170 58.000 -0.217 0.000 0.964 545 F CB 1.822 40.732 39.000 -0.151 0.000 1.399 545 F HN 0.104 nan 8.300 nan 0.000 0.491 546 S N -0.453 115.115 115.700 -0.221 0.000 2.614 546 S HA 0.649 5.111 4.470 -0.013 0.000 0.275 546 S C -0.761 173.677 174.600 -0.271 0.000 1.161 546 S CA -0.819 57.101 58.200 -0.466 0.000 0.969 546 S CB 1.788 64.061 63.200 -1.544 0.000 1.059 546 S HN 0.971 nan 8.310 nan 0.000 0.482 547 G N 3.469 112.221 108.800 -0.080 0.000 2.814 547 G HA2 0.635 4.587 3.960 -0.013 0.000 0.300 547 G HA3 0.635 4.587 3.960 -0.013 0.000 0.300 547 G C -3.389 171.494 174.900 -0.030 0.000 1.406 547 G CA -1.705 43.390 45.100 -0.008 0.000 1.041 547 G HN 0.346 nan 8.290 nan 0.000 0.532 548 P HA 0.397 nan 4.420 nan 0.000 0.294 548 P C -0.742 176.569 177.300 0.019 0.000 1.294 548 P CA -0.689 62.417 63.100 0.009 0.000 0.827 548 P CB 1.883 33.653 31.700 0.116 0.000 0.992 549 Q N 0.948 120.672 119.800 -0.127 0.000 2.241 549 Q HA 0.634 4.966 4.340 -0.013 0.000 0.254 549 Q C 0.455 176.467 176.000 0.019 0.000 0.917 549 Q CA -0.130 55.583 55.803 -0.151 0.000 0.919 549 Q CB 0.990 29.428 28.738 -0.500 0.000 1.237 549 Q HN 0.555 nan 8.270 nan 0.000 0.434 550 G N 0.639 109.360 108.800 -0.131 0.000 2.348 550 G HA2 0.582 4.534 3.960 -0.013 0.000 0.312 550 G HA3 0.582 4.534 3.960 -0.013 0.000 0.312 550 G C -1.081 173.765 174.900 -0.090 0.000 1.126 550 G CA -0.366 44.474 45.100 -0.434 0.000 0.865 550 G HN 0.405 nan 8.290 nan 0.000 0.474 551 V N 1.170 121.097 119.914 0.022 0.000 2.588 551 V HA 0.810 4.922 4.120 -0.013 0.000 0.304 551 V C 0.776 176.903 176.094 0.054 0.000 1.042 551 V CA 0.432 62.789 62.300 0.095 0.000 0.877 551 V CB 1.310 33.277 31.823 0.240 0.000 0.996 551 V HN 1.711 nan 8.190 nan 0.000 0.425 552 G N 3.245 112.073 108.800 0.046 0.000 2.181 552 G HA2 -0.151 3.801 3.960 -0.013 0.000 0.152 552 G HA3 -0.151 3.801 3.960 -0.013 0.000 0.152 552 G C 0.283 175.187 174.900 0.007 0.000 1.026 552 G CA -0.002 45.117 45.100 0.031 0.000 0.699 552 G HN 0.608 nan 8.290 nan 0.000 0.497 553 V N 0.616 120.525 119.914 -0.008 0.000 2.233 553 V HA -0.144 3.968 4.120 -0.013 0.000 0.247 553 V C 3.273 179.283 176.094 -0.140 0.000 1.050 553 V CA 3.353 65.607 62.300 -0.076 0.000 1.010 553 V CB -1.125 30.644 31.823 -0.090 0.000 0.637 553 V HN 1.077 nan 8.190 nan 0.000 0.444 554 A N 0.376 123.150 122.820 -0.076 0.000 1.908 554 A HA -0.286 4.026 4.320 -0.013 0.000 0.218 554 A C 1.984 179.579 177.584 0.019 0.000 1.181 554 A CA 2.438 54.464 52.037 -0.018 0.000 0.627 554 A CB -0.938 18.199 19.000 0.229 0.000 0.818 554 A HN 0.705 nan 8.150 nan 0.000 0.445 555 N N -0.535 118.185 118.700 0.033 0.000 2.223 555 N HA -0.098 4.634 4.740 -0.013 0.000 0.185 555 N C 1.328 176.855 175.510 0.027 0.000 1.016 555 N CA 1.383 54.457 53.050 0.039 0.000 0.863 555 N CB -0.232 38.278 38.487 0.038 0.000 0.983 555 N HN 0.405 nan 8.380 nan 0.000 0.429 556 I N 0.310 120.884 120.570 0.008 0.000 2.286 556 I HA -0.033 4.129 4.170 -0.013 0.000 0.245 556 I C 2.334 178.443 176.117 -0.014 0.000 1.104 556 I CA 0.882 62.191 61.300 0.014 0.000 1.397 556 I CB -1.051 36.973 38.000 0.041 0.000 1.072 556 I HN 0.150 nan 8.210 nan 0.000 0.417 557 G N -0.093 108.668 108.800 -0.066 0.000 2.421 557 G HA2 -0.224 3.728 3.960 -0.013 0.000 0.216 557 G HA3 -0.224 3.728 3.960 -0.013 0.000 0.216 557 G C 1.373 176.279 174.900 0.009 0.000 1.171 557 G CA 0.863 45.922 45.100 -0.068 0.000 0.775 557 G HN 0.297 nan 8.290 nan 0.000 0.543 558 D N 0.540 120.963 120.400 0.038 0.000 2.178 558 D HA -0.037 4.595 4.640 -0.013 0.000 0.201 558 D C 2.805 179.129 176.300 0.040 0.000 0.980 558 D CA 0.999 55.036 54.000 0.061 0.000 0.842 558 D CB -0.175 40.674 40.800 0.082 0.000 0.948 558 D HN 0.239 nan 8.370 nan 0.000 0.472 559 S N 0.209 115.934 115.700 0.040 0.000 2.355 559 S HA -0.009 4.453 4.470 -0.013 0.000 0.222 559 S C 2.185 176.806 174.600 0.035 0.000 1.031 559 S CA 0.392 58.619 58.200 0.045 0.000 0.993 559 S CB -0.096 63.141 63.200 0.062 0.000 0.859 559 S HN 0.233 nan 8.310 nan 0.000 0.453 560 L N 0.739 121.993 121.223 0.051 0.000 2.083 560 L HA -0.048 4.284 4.340 -0.013 0.000 0.209 560 L C 2.424 179.276 176.870 -0.030 0.000 1.083 560 L CA 0.854 55.757 54.840 0.105 0.000 0.752 560 L CB -0.593 41.566 42.059 0.168 0.000 0.899 560 L HN 0.213 nan 8.230 nan 0.000 0.433 561 V N -0.062 119.825 119.914 -0.044 0.000 2.515 561 V HA -0.216 3.896 4.120 -0.013 0.000 0.250 561 V C 2.601 178.629 176.094 -0.110 0.000 1.058 561 V CA 1.686 63.923 62.300 -0.105 0.000 1.064 561 V CB 0.019 31.821 31.823 -0.035 0.000 0.675 561 V HN 0.432 nan 8.190 nan 0.000 0.461 562 A N -0.685 122.102 122.820 -0.056 0.000 1.873 562 A HA -0.125 4.187 4.320 -0.013 0.000 0.215 562 A C 2.320 179.870 177.584 -0.058 0.000 1.186 562 A CA 2.026 54.038 52.037 -0.041 0.000 0.616 562 A CB -0.692 18.306 19.000 -0.003 0.000 0.823 562 A HN 0.382 nan 8.150 nan 0.000 0.442 563 V N 0.423 120.296 119.914 -0.068 0.000 2.343 563 V HA -0.266 3.846 4.120 -0.013 0.000 0.247 563 V C 2.566 178.665 176.094 0.008 0.000 1.051 563 V CA 2.427 64.697 62.300 -0.050 0.000 1.036 563 V CB -0.646 31.057 31.823 -0.200 0.000 0.654 563 V HN 0.736 nan 8.190 nan 0.000 0.451 564 K N 0.443 120.694 120.400 -0.248 0.000 2.002 564 K HA -0.257 4.055 4.320 -0.013 0.000 0.209 564 K C 2.272 178.769 176.600 -0.172 0.000 1.048 564 K CA 2.128 58.129 56.287 -0.476 0.000 0.930 564 K CB -0.178 31.591 32.500 -1.218 0.000 0.714 564 K HN 0.354 nan 8.250 nan 0.000 0.438 565 K N 0.470 120.772 120.400 -0.163 0.000 1.991 565 K HA -0.032 4.280 4.320 -0.013 0.000 0.207 565 K C 2.089 178.653 176.600 -0.060 0.000 1.045 565 K CA 1.556 57.788 56.287 -0.092 0.000 0.937 565 K CB -0.062 32.389 32.500 -0.082 0.000 0.720 565 K HN 0.173 nan 8.250 nan 0.000 0.438 566 I N 0.402 120.934 120.570 -0.063 0.000 2.439 566 I HA -0.182 3.980 4.170 -0.013 0.000 0.251 566 I C 1.923 177.981 176.117 -0.098 0.000 1.139 566 I CA 0.590 61.853 61.300 -0.062 0.000 1.438 566 I CB 0.144 38.116 38.000 -0.047 0.000 1.085 566 I HN 0.034 nan 8.210 nan 0.000 0.427 567 V N -0.165 119.661 119.914 -0.147 0.000 2.436 567 V HA -0.068 4.044 4.120 -0.013 0.000 0.240 567 V C 1.911 177.749 176.094 -0.427 0.000 1.040 567 V CA 1.458 63.555 62.300 -0.337 0.000 1.052 567 V CB -0.393 31.114 31.823 -0.526 0.000 0.707 567 V HN 0.183 nan 8.190 nan 0.000 0.469 568 F N 0.138 120.059 119.950 -0.047 0.000 2.317 568 F HA 0.059 4.578 4.527 -0.012 0.000 0.293 568 F C 2.198 177.980 175.800 -0.029 0.000 1.085 568 F CA 0.860 58.847 58.000 -0.021 0.000 1.390 568 F CB -0.204 38.818 39.000 0.035 0.000 1.077 568 F HN 0.137 nan 8.300 nan 0.000 0.517 569 D N 0.347 120.810 120.400 0.106 0.000 2.146 569 D HA -0.081 4.551 4.640 -0.013 0.000 0.209 569 D C 1.704 178.012 176.300 0.012 0.000 0.973 569 D CA 1.267 55.294 54.000 0.045 0.000 0.860 569 D CB -0.381 40.419 40.800 0.001 0.000 1.015 569 D HN 0.345 nan 8.370 nan 0.000 0.465 570 E N 0.495 120.686 120.200 -0.014 0.000 2.474 570 E HA 0.062 4.404 4.350 -0.013 0.000 0.194 570 E C -0.184 176.394 176.600 -0.037 0.000 1.041 570 E CA -0.162 56.224 56.400 -0.023 0.000 0.874 570 E CB 0.104 29.787 29.700 -0.028 0.000 0.914 570 E HN 0.146 nan 8.360 nan 0.000 0.498 571 N N 1.501 120.167 118.700 -0.058 0.000 2.710 571 N HA -0.205 4.527 4.740 -0.013 0.000 0.249 571 N C 0.611 176.076 175.510 -0.075 0.000 1.059 571 N CA 0.591 53.591 53.050 -0.083 0.000 0.720 571 N CB -0.498 37.954 38.487 -0.058 0.000 0.983 571 N HN 0.207 nan 8.380 nan 0.000 0.544 572 K N 0.118 120.476 120.400 -0.070 0.000 2.148 572 K HA 0.120 4.432 4.320 -0.013 0.000 0.204 572 K C 1.203 177.767 176.600 -0.059 0.000 1.050 572 K CA 0.995 57.249 56.287 -0.054 0.000 0.942 572 K CB 0.417 32.891 32.500 -0.043 0.000 0.724 572 K HN 0.472 nan 8.250 nan 0.000 0.446 573 I N 0.373 120.892 120.570 -0.085 0.000 2.828 573 I HA 0.104 4.266 4.170 -0.013 0.000 0.302 573 I C 0.075 176.105 176.117 -0.145 0.000 1.101 573 I CA -1.032 60.217 61.300 -0.085 0.000 1.031 573 I CB 2.212 40.179 38.000 -0.055 0.000 1.231 573 I HN -0.120 nan 8.210 nan 0.000 0.427 574 T N 0.032 114.504 114.554 -0.136 0.000 2.922 574 T HA 0.355 4.697 4.350 -0.013 0.000 0.285 574 T C -2.170 172.379 174.700 -0.253 0.000 1.005 574 T CA -1.865 60.116 62.100 -0.198 0.000 1.061 574 T CB 1.684 70.467 68.868 -0.141 0.000 1.007 574 T HN 0.271 nan 8.240 nan 0.000 0.502 575 P HA -0.150 nan 4.420 nan 0.000 0.215 575 P C 1.926 179.052 177.300 -0.291 0.000 1.157 575 P CA 1.146 63.819 63.100 -0.713 0.000 0.874 575 P CB -0.063 30.971 31.700 -1.110 0.000 0.790 576 S N -1.066 114.518 115.700 -0.194 0.000 2.383 576 S HA -0.222 4.240 4.470 -0.013 0.000 0.229 576 S C 1.800 176.396 174.600 -0.007 0.000 1.030 576 S CA 1.461 59.628 58.200 -0.056 0.000 1.002 576 S CB -0.703 62.462 63.200 -0.059 0.000 0.829 576 S HN 0.201 nan 8.310 nan 0.000 0.467 577 E N 0.104 120.287 120.200 -0.029 0.000 2.046 577 E HA -0.095 4.247 4.350 -0.013 0.000 0.190 577 E C 2.067 178.689 176.600 0.037 0.000 0.982 577 E CA 1.107 57.506 56.400 -0.002 0.000 0.800 577 E CB -0.262 29.428 29.700 -0.018 0.000 0.756 577 E HN 0.359 nan 8.360 nan 0.000 0.449 578 L N 1.994 123.254 121.223 0.063 0.000 2.012 578 L HA -0.226 4.106 4.340 -0.013 0.000 0.210 578 L C 2.260 179.211 176.870 0.136 0.000 1.073 578 L CA 1.931 56.847 54.840 0.126 0.000 0.748 578 L CB -0.363 41.820 42.059 0.208 0.000 0.891 578 L HN -0.068 nan 8.230 nan 0.000 0.431 579 K N -0.515 120.016 120.400 0.218 0.000 2.044 579 K HA -0.249 4.063 4.320 -0.013 0.000 0.210 579 K C 2.145 178.780 176.600 0.059 0.000 1.049 579 K CA 1.940 58.333 56.287 0.177 0.000 0.927 579 K CB -0.096 32.566 32.500 0.269 0.000 0.713 579 K HN 0.348 nan 8.250 nan 0.000 0.443 580 K N -0.355 120.071 120.400 0.042 0.000 2.025 580 K HA -0.086 4.226 4.320 -0.013 0.000 0.207 580 K C 2.178 178.757 176.600 -0.035 0.000 1.049 580 K CA 1.904 58.193 56.287 0.004 0.000 0.933 580 K CB -0.205 32.299 32.500 0.007 0.000 0.714 580 K HN 0.205 nan 8.250 nan 0.000 0.438 581 T N 2.232 116.768 114.554 -0.030 0.000 2.684 581 T HA -0.136 4.206 4.350 -0.013 0.000 0.267 581 T C 1.905 176.433 174.700 -0.286 0.000 1.036 581 T CA 1.194 63.248 62.100 -0.077 0.000 1.148 581 T CB -0.231 68.655 68.868 0.030 0.000 0.863 581 T HN 0.106 nan 8.240 nan 0.000 0.436 582 L N 1.056 122.121 121.223 -0.264 0.000 2.027 582 L HA -0.085 4.247 4.340 -0.013 0.000 0.206 582 L C 2.496 179.203 176.870 -0.272 0.000 1.074 582 L CA 0.986 55.599 54.840 -0.379 0.000 0.745 582 L CB -0.613 41.333 42.059 -0.188 0.000 0.898 582 L HN 0.202 nan 8.230 nan 0.000 0.433 583 N N 0.364 118.977 118.700 -0.143 0.000 2.364 583 N HA -0.148 4.584 4.740 -0.013 0.000 0.183 583 N C 1.117 176.566 175.510 -0.102 0.000 1.022 583 N CA 1.052 54.046 53.050 -0.093 0.000 0.883 583 N CB -0.402 38.064 38.487 -0.035 0.000 0.965 583 N HN 0.371 nan 8.380 nan 0.000 0.438 584 N N 0.460 119.082 118.700 -0.130 0.000 2.280 584 N HA -0.017 4.715 4.740 -0.013 0.000 0.192 584 N C -0.638 174.794 175.510 -0.131 0.000 1.109 584 N CA -0.014 52.977 53.050 -0.099 0.000 0.855 584 N CB 0.337 38.787 38.487 -0.061 0.000 0.974 584 N HN -0.012 nan 8.380 nan 0.000 0.482 585 D N -0.130 120.116 120.400 -0.257 0.000 2.723 585 D HA -0.254 4.378 4.640 -0.013 0.000 0.236 585 D C -0.747 175.472 176.300 -0.135 0.000 1.138 585 D CA 0.341 54.177 54.000 -0.273 0.000 0.676 585 D CB -1.640 39.109 40.800 -0.085 0.000 1.069 585 D HN 0.338 nan 8.370 nan 0.000 0.430 586 F N -2.980 116.972 119.950 0.004 0.000 3.057 586 F HA -0.326 4.193 4.527 -0.013 0.000 0.287 586 F C 0.986 176.787 175.800 0.001 0.000 0.834 586 F CA 1.028 59.030 58.000 0.003 0.000 1.147 586 F CB -1.514 37.486 39.000 0.001 0.000 1.245 586 F HN 0.158 nan 8.300 nan 0.000 0.509 587 K N 1.087 121.546 120.400 0.098 0.000 2.339 587 K HA 0.251 4.562 4.320 -0.013 0.000 0.286 587 K C 0.671 177.306 176.600 0.059 0.000 1.050 587 K CA -0.202 56.126 56.287 0.069 0.000 0.956 587 K CB 0.346 32.864 32.500 0.031 0.000 0.990 587 K HN 0.218 nan 8.250 nan 0.000 0.475 588 N N 1.162 119.895 118.700 0.055 0.000 2.754 588 N HA -0.169 4.563 4.740 -0.013 0.000 0.248 588 N C -1.115 174.425 175.510 0.051 0.000 1.093 588 N CA 1.488 54.563 53.050 0.041 0.000 0.699 588 N CB -1.404 37.099 38.487 0.027 0.000 1.016 588 N HN 0.684 nan 8.380 nan 0.000 0.552 589 S N -3.311 112.435 115.700 0.077 0.000 2.530 589 S HA 0.244 4.706 4.470 -0.013 0.000 0.203 589 S C 0.336 175.000 174.600 0.106 0.000 0.787 589 S CA -0.700 57.554 58.200 0.089 0.000 1.015 589 S CB 0.049 63.313 63.200 0.107 0.000 1.687 589 S HN 0.108 nan 8.310 nan 0.000 0.484 590 E N 2.257 122.492 120.200 0.058 0.000 2.418 590 E HA -0.095 4.247 4.350 -0.013 0.000 0.197 590 E C 2.119 178.702 176.600 -0.029 0.000 1.026 590 E CA 1.019 57.421 56.400 0.004 0.000 0.862 590 E CB 0.024 29.719 29.700 -0.008 0.000 0.799 590 E HN 0.801 nan 8.360 nan 0.000 0.518 591 E N 0.888 121.087 120.200 -0.002 0.000 2.107 591 E HA -0.169 4.173 4.350 -0.013 0.000 0.191 591 E C 1.907 178.498 176.600 -0.016 0.000 0.982 591 E CA 0.948 57.340 56.400 -0.013 0.000 0.809 591 E CB -0.314 29.385 29.700 -0.002 0.000 0.756 591 E HN 0.366 nan 8.360 nan 0.000 0.459 592 I N 1.099 121.677 120.570 0.015 0.000 2.353 592 I HA -0.197 3.965 4.170 -0.013 0.000 0.248 592 I C 2.970 179.072 176.117 -0.025 0.000 1.119 592 I CA 0.992 62.312 61.300 0.034 0.000 1.417 592 I CB -0.278 37.789 38.000 0.111 0.000 1.078 592 I HN 0.145 nan 8.210 nan 0.000 0.421 593 Q N 1.204 120.920 119.800 -0.140 0.000 2.084 593 Q HA -0.216 4.116 4.340 -0.013 0.000 0.202 593 Q C 2.358 178.177 176.000 -0.302 0.000 0.978 593 Q CA 1.857 57.354 55.803 -0.511 0.000 0.844 593 Q CB -0.040 28.186 28.738 -0.854 0.000 0.898 593 Q HN 0.536 nan 8.270 nan 0.000 0.426 594 A N 0.704 123.415 122.820 -0.181 0.000 1.902 594 A HA -0.190 4.122 4.320 -0.013 0.000 0.217 594 A C 1.965 179.495 177.584 -0.090 0.000 1.181 594 A CA 1.221 53.186 52.037 -0.121 0.000 0.623 594 A CB -0.726 18.226 19.000 -0.080 0.000 0.818 594 A HN 0.452 nan 8.150 nan 0.000 0.443 595 L N -0.181 121.000 121.223 -0.070 0.000 2.042 595 L HA -0.136 4.196 4.340 -0.013 0.000 0.210 595 L C 2.374 179.216 176.870 -0.047 0.000 1.076 595 L CA 1.652 56.464 54.840 -0.046 0.000 0.749 595 L CB -0.535 41.506 42.059 -0.029 0.000 0.893 595 L HN 0.436 nan 8.230 nan 0.000 0.432 596 L N -1.139 120.049 121.223 -0.060 0.000 2.027 596 L HA -0.212 4.120 4.340 -0.013 0.000 0.206 596 L C 2.517 179.353 176.870 -0.057 0.000 1.074 596 L CA 1.283 56.097 54.840 -0.044 0.000 0.745 596 L CB -0.648 41.394 42.059 -0.029 0.000 0.898 596 L HN 0.186 nan 8.230 nan 0.000 0.433 597 K N 0.056 120.397 120.400 -0.098 0.000 2.147 597 K HA -0.129 4.183 4.320 -0.013 0.000 0.205 597 K C 1.559 178.130 176.600 -0.047 0.000 1.049 597 K CA 1.085 57.325 56.287 -0.079 0.000 0.936 597 K CB -0.213 32.222 32.500 -0.109 0.000 0.722 597 K HN 0.287 nan 8.250 nan 0.000 0.446 598 N N 0.596 119.268 118.700 -0.046 0.000 2.467 598 N HA 0.012 4.744 4.740 -0.013 0.000 0.184 598 N C 0.139 175.636 175.510 -0.021 0.000 1.106 598 N CA 0.183 53.214 53.050 -0.032 0.000 0.892 598 N CB 0.064 38.531 38.487 -0.033 0.000 0.969 598 N HN 0.131 nan 8.380 nan 0.000 0.454 599 A N 1.727 124.535 122.820 -0.020 0.000 2.406 599 A HA 0.333 4.645 4.320 -0.013 0.000 0.243 599 A C -2.114 175.470 177.584 -0.000 0.000 1.082 599 A CA -0.883 51.146 52.037 -0.013 0.000 0.786 599 A CB -0.363 18.629 19.000 -0.015 0.000 1.029 599 A HN -0.024 nan 8.150 nan 0.000 0.495 600 P HA 0.077 nan 4.420 nan 0.000 0.262 600 P C -0.620 176.705 177.300 0.042 0.000 1.182 600 P CA 0.481 63.592 63.100 0.019 0.000 0.761 600 P CB 0.323 32.033 31.700 0.017 0.000 0.795 601 K N 2.940 123.371 120.400 0.052 0.000 2.207 601 K HA 0.371 4.683 4.320 -0.013 0.000 0.255 601 K C -0.284 176.392 176.600 0.126 0.000 0.941 601 K CA -0.942 55.398 56.287 0.089 0.000 0.825 601 K CB 1.105 33.644 32.500 0.064 0.000 1.119 601 K HN 0.336 nan 8.250 nan 0.000 0.430 602 F N 0.938 120.906 119.950 0.029 0.000 2.572 602 F HA 0.273 4.792 4.527 -0.013 0.000 0.370 602 F C 1.200 177.027 175.800 0.045 0.000 1.103 602 F CA 1.520 59.542 58.000 0.036 0.000 1.286 602 F CB 0.321 39.344 39.000 0.038 0.000 1.105 602 F HN 0.836 nan 8.300 nan 0.000 0.583 603 G N 4.085 112.424 108.800 -0.767 0.000 2.168 603 G HA2 -0.258 3.694 3.960 -0.013 0.000 0.197 603 G HA3 -0.258 3.694 3.960 -0.013 0.000 0.197 603 G C 0.273 175.036 174.900 -0.229 0.000 0.997 603 G CA 0.091 44.852 45.100 -0.564 0.000 0.658 603 G HN 0.660 nan 8.290 nan 0.000 0.513 604 N N 0.821 119.429 118.700 -0.153 0.000 2.238 604 N HA 0.220 4.952 4.740 -0.013 0.000 0.235 604 N C 0.380 175.865 175.510 -0.042 0.000 1.209 604 N CA 0.376 53.388 53.050 -0.063 0.000 0.879 604 N CB 0.576 39.048 38.487 -0.025 0.000 1.136 604 N HN 0.256 nan 8.380 nan 0.000 0.517 605 D N 0.936 121.300 120.400 -0.060 0.000 2.870 605 D HA -0.175 4.457 4.640 -0.013 0.000 0.228 605 D C -0.611 175.697 176.300 0.014 0.000 1.147 605 D CA 0.552 54.544 54.000 -0.014 0.000 0.757 605 D CB -1.443 39.355 40.800 -0.003 0.000 1.091 605 D HN 0.399 nan 8.370 nan 0.000 0.429 606 I N 0.904 121.487 120.570 0.021 0.000 2.291 606 I HA 0.101 4.263 4.170 -0.013 0.000 0.290 606 I C 1.387 177.542 176.117 0.062 0.000 1.050 606 I CA -0.811 60.511 61.300 0.036 0.000 1.245 606 I CB 1.175 39.195 38.000 0.034 0.000 1.405 606 I HN -0.154 nan 8.210 nan 0.000 0.478 607 D N 4.078 124.513 120.400 0.058 0.000 2.149 607 D HA -0.229 4.403 4.640 -0.013 0.000 0.198 607 D C 1.774 178.117 176.300 0.072 0.000 0.990 607 D CA 1.306 55.349 54.000 0.072 0.000 0.839 607 D CB 0.174 41.010 40.800 0.059 0.000 0.948 607 D HN 0.658 nan 8.370 nan 0.000 0.460 608 E N 0.499 120.730 120.200 0.052 0.000 2.130 608 E HA -0.166 4.176 4.350 -0.013 0.000 0.196 608 E C 1.877 178.506 176.600 0.049 0.000 0.998 608 E CA 1.107 57.529 56.400 0.038 0.000 0.806 608 E CB 0.247 29.956 29.700 0.015 0.000 0.738 608 E HN 0.083 nan 8.360 nan 0.000 0.459 609 V N 1.088 121.048 119.914 0.076 0.000 2.426 609 V HA -0.132 3.980 4.120 -0.013 0.000 0.242 609 V C 1.753 177.947 176.094 0.166 0.000 1.036 609 V CA 1.534 63.898 62.300 0.106 0.000 1.044 609 V CB -0.506 31.398 31.823 0.135 0.000 0.688 609 V HN 0.192 nan 8.190 nan 0.000 0.462 610 D N 1.011 121.551 120.400 0.232 0.000 2.133 610 D HA -0.173 4.459 4.640 -0.013 0.000 0.195 610 D C 1.985 178.390 176.300 0.175 0.000 0.997 610 D CA 1.311 55.506 54.000 0.325 0.000 0.840 610 D CB -0.415 40.554 40.800 0.282 0.000 0.947 610 D HN 0.352 nan 8.370 nan 0.000 0.452 611 N N 0.182 118.956 118.700 0.124 0.000 2.244 611 N HA -0.042 4.690 4.740 -0.013 0.000 0.183 611 N C 1.972 177.527 175.510 0.076 0.000 1.016 611 N CA 0.289 53.395 53.050 0.093 0.000 0.866 611 N CB -0.113 38.424 38.487 0.083 0.000 0.980 611 N HN 0.279 nan 8.380 nan 0.000 0.430 612 L N 0.331 121.596 121.223 0.071 0.000 2.240 612 L HA 0.034 4.366 4.340 -0.013 0.000 0.211 612 L C 2.284 179.164 176.870 0.016 0.000 1.106 612 L CA 0.470 55.352 54.840 0.069 0.000 0.793 612 L CB -0.294 41.808 42.059 0.072 0.000 0.927 612 L HN 0.082 nan 8.230 nan 0.000 0.446 613 A N 0.211 123.003 122.820 -0.047 0.000 1.929 613 A HA -0.197 4.115 4.320 -0.013 0.000 0.216 613 A C 2.428 179.932 177.584 -0.135 0.000 1.176 613 A CA 1.290 53.205 52.037 -0.203 0.000 0.628 613 A CB -0.431 18.215 19.000 -0.590 0.000 0.816 613 A HN 0.319 nan 8.150 nan 0.000 0.444 614 R N -0.269 120.200 120.500 -0.052 0.000 2.070 614 R HA -0.205 4.127 4.340 -0.013 0.000 0.232 614 R C 2.140 178.457 176.300 0.029 0.000 1.138 614 R CA 2.011 58.109 56.100 -0.004 0.000 0.936 614 R CB -0.329 29.999 30.300 0.047 0.000 0.839 614 R HN 0.433 nan 8.270 nan 0.000 0.429 615 E N -0.183 120.049 120.200 0.053 0.000 2.077 615 E HA -0.102 4.240 4.350 -0.013 0.000 0.193 615 E C 1.787 178.454 176.600 0.113 0.000 0.989 615 E CA 1.844 58.292 56.400 0.080 0.000 0.800 615 E CB -0.688 29.067 29.700 0.092 0.000 0.746 615 E HN 0.523 nan 8.360 nan 0.000 0.452 616 G N 0.158 109.017 108.800 0.098 0.000 2.440 616 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.218 616 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.218 616 G C 1.694 176.725 174.900 0.219 0.000 1.154 616 G CA 1.210 46.411 45.100 0.169 0.000 0.767 616 G HN 0.454 nan 8.290 nan 0.000 0.552 617 A N 0.303 123.189 122.820 0.110 0.000 1.929 617 A HA 0.212 4.524 4.320 -0.013 0.000 0.216 617 A C 2.405 180.073 177.584 0.141 0.000 1.176 617 A CA 0.956 53.060 52.037 0.112 0.000 0.628 617 A CB -0.326 18.689 19.000 0.024 0.000 0.816 617 A HN 0.345 nan 8.150 nan 0.000 0.444 618 L N -0.369 120.912 121.223 0.098 0.000 2.083 618 L HA -0.163 4.169 4.340 -0.013 0.000 0.209 618 L C 2.485 179.390 176.870 0.059 0.000 1.083 618 L CA 0.929 55.810 54.840 0.069 0.000 0.752 618 L CB -0.427 41.666 42.059 0.057 0.000 0.899 618 L HN 0.257 nan 8.230 nan 0.000 0.433 619 V N -0.899 119.078 119.914 0.104 0.000 2.332 619 V HA -0.346 3.766 4.120 -0.013 0.000 0.248 619 V C 2.173 178.260 176.094 -0.011 0.000 1.055 619 V CA 2.000 64.334 62.300 0.056 0.000 1.038 619 V CB -0.733 31.163 31.823 0.122 0.000 0.651 619 V HN 0.442 nan 8.190 nan 0.000 0.450 620 Y N 0.569 120.819 120.300 -0.084 0.000 2.133 620 Y HA -0.265 4.278 4.550 -0.012 0.000 0.287 620 Y C 2.604 178.415 175.900 -0.149 0.000 1.134 620 Y CA 1.750 59.745 58.100 -0.175 0.000 1.133 620 Y CB -0.882 37.489 38.460 -0.149 0.000 0.987 620 Y HN 0.235 nan 8.280 nan 0.000 0.502 621 C N 1.193 120.357 119.300 -0.226 0.000 2.413 621 C HA -0.171 4.281 4.460 -0.013 0.000 0.277 621 C C 2.698 177.554 174.990 -0.223 0.000 1.265 621 C CA 1.405 60.264 59.018 -0.265 0.000 1.752 621 C CB -1.283 26.426 27.740 -0.053 0.000 1.998 621 C HN 0.539 nan 8.230 nan 0.000 0.489 622 R N 0.523 120.933 120.500 -0.150 0.000 2.115 622 R HA -0.077 4.255 4.340 -0.013 0.000 0.230 622 R C 2.110 178.318 176.300 -0.153 0.000 1.111 622 R CA 0.868 56.898 56.100 -0.117 0.000 0.976 622 R CB -0.264 29.991 30.300 -0.074 0.000 0.870 622 R HN 0.558 nan 8.270 nan 0.000 0.445 623 E N 0.568 120.647 120.200 -0.201 0.000 2.072 623 E HA -0.113 4.229 4.350 -0.013 0.000 0.191 623 E C 2.170 178.699 176.600 -0.119 0.000 0.985 623 E CA 0.956 57.255 56.400 -0.169 0.000 0.801 623 E CB -0.197 29.376 29.700 -0.212 0.000 0.750 623 E HN 0.097 nan 8.360 nan 0.000 0.452 624 V N 2.356 122.097 119.914 -0.289 0.000 2.407 624 V HA -0.216 3.896 4.120 -0.013 0.000 0.248 624 V C 1.741 177.825 176.094 -0.018 0.000 1.055 624 V CA 1.499 63.675 62.300 -0.205 0.000 1.049 624 V CB -0.553 31.035 31.823 -0.392 0.000 0.662 624 V HN 0.178 nan 8.190 nan 0.000 0.455 625 N N 0.281 118.938 118.700 -0.071 0.000 2.519 625 N HA -0.113 4.619 4.740 -0.013 0.000 0.186 625 N C 1.645 177.103 175.510 -0.088 0.000 1.062 625 N CA 0.872 53.903 53.050 -0.032 0.000 0.910 625 N CB -0.235 38.224 38.487 -0.047 0.000 0.958 625 N HN 0.545 nan 8.380 nan 0.000 0.445 626 K N -0.589 119.686 120.400 -0.207 0.000 2.365 626 K HA -0.029 4.283 4.320 -0.013 0.000 0.199 626 K C -0.105 176.110 176.600 -0.642 0.000 1.045 626 K CA 0.529 56.542 56.287 -0.456 0.000 0.962 626 K CB 0.084 32.174 32.500 -0.683 0.000 0.759 626 K HN 0.201 nan 8.250 nan 0.000 0.469 627 Y N 0.244 120.402 120.300 -0.236 0.000 2.335 627 Y HA 0.218 4.761 4.550 -0.011 0.000 0.323 627 Y C 0.563 176.454 175.900 -0.015 0.000 1.224 627 Y CA -0.488 57.428 58.100 -0.307 0.000 1.241 627 Y CB 1.555 39.506 38.460 -0.847 0.000 1.235 627 Y HN -0.302 nan 8.280 nan 0.000 0.492 628 T N 2.663 117.312 114.554 0.158 0.000 2.887 628 T HA 0.341 4.683 4.350 -0.013 0.000 0.288 628 T C -0.686 174.197 174.700 0.305 0.000 1.021 628 T CA -1.028 61.200 62.100 0.214 0.000 1.000 628 T CB 0.676 69.569 68.868 0.042 0.000 1.034 628 T HN 0.718 nan 8.240 nan 0.000 0.467 629 N N 2.356 121.170 118.700 0.190 0.000 2.502 629 N HA 0.472 5.204 4.740 -0.013 0.000 0.280 629 N C -2.395 173.063 175.510 -0.088 0.000 1.223 629 N CA -2.001 51.074 53.050 0.042 0.000 0.966 629 N CB 0.079 38.401 38.487 -0.276 0.000 1.203 629 N HN 0.101 nan 8.380 nan 0.000 0.565 630 P HA 0.010 nan 4.420 nan 0.000 0.225 630 P C 0.323 177.519 177.300 -0.173 0.000 1.148 630 P CA 1.010 64.018 63.100 -0.152 0.000 0.779 630 P CB 0.195 31.793 31.700 -0.170 0.000 0.780 631 R N -1.231 119.133 120.500 -0.227 0.000 2.356 631 R HA 0.283 4.615 4.340 -0.013 0.000 0.234 631 R C 1.114 177.301 176.300 -0.189 0.000 0.929 631 R CA 0.546 56.513 56.100 -0.221 0.000 1.084 631 R CB -0.493 29.636 30.300 -0.284 0.000 1.105 631 R HN 0.109 nan 8.270 nan 0.000 0.515 632 G N -0.004 108.702 108.800 -0.156 0.000 2.148 632 G HA2 -0.248 3.704 3.960 -0.013 0.000 0.254 632 G HA3 -0.248 3.704 3.960 -0.013 0.000 0.254 632 G C 0.287 175.099 174.900 -0.148 0.000 0.981 632 G CA -0.018 45.004 45.100 -0.130 0.000 0.670 632 G HN 0.545 nan 8.290 nan 0.000 0.528 633 G N -1.003 107.686 108.800 -0.184 0.000 2.552 633 G HA2 0.609 4.561 3.960 -0.013 0.000 0.324 633 G HA3 0.609 4.561 3.960 -0.013 0.000 0.324 633 G C -0.345 174.500 174.900 -0.092 0.000 1.217 633 G CA -0.663 44.301 45.100 -0.226 0.000 0.989 633 G HN 0.230 nan 8.290 nan 0.000 0.490 634 N N -1.006 117.677 118.700 -0.029 0.000 2.443 634 N HA 0.438 5.170 4.740 -0.013 0.000 0.293 634 N C -1.178 174.476 175.510 0.240 0.000 1.159 634 N CA -0.334 52.812 53.050 0.159 0.000 0.904 634 N CB 1.734 40.327 38.487 0.175 0.000 1.214 634 N HN 0.180 nan 8.380 nan 0.000 0.513 635 F N 0.773 120.773 119.950 0.084 0.000 2.375 635 F HA 0.225 4.745 4.527 -0.012 0.000 0.333 635 F C 0.765 176.603 175.800 0.063 0.000 1.104 635 F CA -0.234 57.809 58.000 0.073 0.000 1.149 635 F CB 0.860 39.884 39.000 0.039 0.000 1.190 635 F HN 0.259 nan 8.300 nan 0.000 0.533 636 Q N 2.901 122.804 119.800 0.172 0.000 2.331 636 Q HA 0.569 4.901 4.340 -0.013 0.000 0.272 636 Q C -3.168 172.857 176.000 0.042 0.000 1.062 636 Q CA -2.507 53.340 55.803 0.072 0.000 0.806 636 Q CB 2.365 31.092 28.738 -0.018 0.000 1.312 636 Q HN 0.201 nan 8.270 nan 0.000 0.431 637 P HA 0.302 nan 4.420 nan 0.000 0.275 637 P C -0.476 176.851 177.300 0.046 0.000 1.228 637 P CA 0.022 63.126 63.100 0.006 0.000 0.786 637 P CB 0.999 32.664 31.700 -0.058 0.000 0.927 638 G N 1.414 110.262 108.800 0.080 0.000 2.563 638 G HA2 0.664 4.616 3.960 -0.013 0.000 0.302 638 G HA3 0.664 4.616 3.960 -0.013 0.000 0.302 638 G C -1.501 173.410 174.900 0.019 0.000 1.301 638 G CA -0.748 44.369 45.100 0.029 0.000 0.965 638 G HN 0.393 nan 8.290 nan 0.000 0.480 639 L N 2.007 123.249 121.223 0.031 0.000 2.529 639 L HA 0.350 4.682 4.340 -0.013 0.000 0.246 639 L C -1.152 175.816 176.870 0.164 0.000 1.394 639 L CA -0.761 54.108 54.840 0.047 0.000 0.906 639 L CB 0.159 42.243 42.059 0.042 0.000 1.170 639 L HN 0.706 nan 8.230 nan 0.000 0.501 640 Y N 0.155 120.538 120.300 0.138 0.000 2.581 640 Y HA 0.785 5.328 4.550 -0.013 0.000 0.345 640 Y C -2.795 173.251 175.900 0.242 0.000 1.036 640 Y CA -2.245 55.959 58.100 0.173 0.000 1.042 640 Y CB 1.604 40.158 38.460 0.156 0.000 1.289 640 Y HN -0.050 nan 8.280 nan 0.000 0.471 641 P HA 0.176 nan 4.420 nan 0.000 0.323 641 P C 0.352 177.672 177.300 0.033 0.000 1.344 641 P CA 0.783 63.978 63.100 0.160 0.000 1.189 641 P CB 1.384 33.103 31.700 0.031 0.000 1.622 642 S N 1.501 117.417 115.700 0.359 0.000 4.059 642 S HA -0.230 4.232 4.470 -0.013 0.000 0.624 642 S C 1.032 175.745 174.600 0.188 0.000 2.019 642 S CA 2.424 60.845 58.200 0.368 0.000 4.197 642 S CB -1.887 61.426 63.200 0.189 0.000 0.215 642 S HN 0.471 nan 8.310 nan 0.000 0.609 643 S N 0.301 116.003 115.700 0.004 0.000 2.650 643 S HA 0.418 4.880 4.470 -0.013 0.000 0.240 643 S C 1.377 175.845 174.600 -0.220 0.000 1.007 643 S CA 0.521 58.698 58.200 -0.037 0.000 0.984 643 S CB 0.052 63.285 63.200 0.055 0.000 0.910 643 S HN 0.687 nan 8.310 nan 0.000 0.509 644 I N 3.380 123.643 120.570 -0.512 0.000 3.001 644 I HA -0.169 3.993 4.170 -0.013 0.000 0.268 644 I C 2.161 177.997 176.117 -0.468 0.000 1.267 644 I CA 1.004 61.876 61.300 -0.713 0.000 1.472 644 I CB -0.161 36.908 38.000 -1.553 0.000 1.089 644 I HN 0.485 nan 8.210 nan 0.000 0.468 645 N N 0.710 119.259 118.700 -0.252 0.000 2.223 645 N HA -0.161 4.571 4.740 -0.013 0.000 0.185 645 N C 1.603 177.106 175.510 -0.011 0.000 1.016 645 N CA 1.479 54.488 53.050 -0.068 0.000 0.863 645 N CB -0.759 37.722 38.487 -0.010 0.000 0.983 645 N HN 0.269 nan 8.380 nan 0.000 0.429 646 V N 0.580 120.481 119.914 -0.022 0.000 2.323 646 V HA -0.187 3.925 4.120 -0.013 0.000 0.244 646 V C 2.291 178.416 176.094 0.052 0.000 1.041 646 V CA 1.403 63.712 62.300 0.016 0.000 1.025 646 V CB -0.986 30.845 31.823 0.014 0.000 0.656 646 V HN 0.209 nan 8.190 nan 0.000 0.451 647 Y N 0.196 120.444 120.300 -0.086 0.000 2.145 647 Y HA -0.220 4.322 4.550 -0.014 0.000 0.286 647 Y C 2.260 178.196 175.900 0.059 0.000 1.145 647 Y CA 1.324 59.396 58.100 -0.046 0.000 1.148 647 Y CB -0.592 37.812 38.460 -0.093 0.000 0.981 647 Y HN 0.200 nan 8.280 nan 0.000 0.507 648 F N -0.218 119.578 119.950 -0.258 0.000 2.126 648 F HA -0.220 4.299 4.527 -0.013 0.000 0.299 648 F C 2.534 178.169 175.800 -0.275 0.000 1.096 648 F CA 0.573 58.367 58.000 -0.344 0.000 1.255 648 F CB -0.644 38.213 39.000 -0.238 0.000 0.997 648 F HN 0.251 nan 8.300 nan 0.000 0.479 649 G N -0.481 108.334 108.800 0.025 0.000 2.432 649 G HA2 -0.309 3.643 3.960 -0.013 0.000 0.219 649 G HA3 -0.309 3.643 3.960 -0.013 0.000 0.219 649 G C 1.598 176.458 174.900 -0.066 0.000 1.135 649 G CA 1.001 46.087 45.100 -0.024 0.000 0.767 649 G HN 0.444 nan 8.290 nan 0.000 0.550 650 S N -0.199 115.449 115.700 -0.088 0.000 2.515 650 S HA 0.186 4.648 4.470 -0.013 0.000 0.231 650 S C 1.823 176.335 174.600 -0.146 0.000 0.987 650 S CA 0.353 58.497 58.200 -0.092 0.000 0.936 650 S CB -0.112 63.052 63.200 -0.061 0.000 0.766 650 S HN 0.268 nan 8.310 nan 0.000 0.528 651 L N 1.122 122.214 121.223 -0.217 0.000 2.728 651 L HA 0.295 4.627 4.340 -0.013 0.000 0.238 651 L C -0.172 176.570 176.870 -0.214 0.000 1.143 651 L CA -0.082 54.614 54.840 -0.239 0.000 0.937 651 L CB 0.304 42.156 42.059 -0.345 0.000 1.225 651 L HN 0.215 nan 8.230 nan 0.000 0.507 652 T N -0.054 114.395 114.554 -0.175 0.000 2.823 652 T HA 0.520 4.862 4.350 -0.013 0.000 0.279 652 T C 0.628 175.264 174.700 -0.107 0.000 0.998 652 T CA -0.425 61.579 62.100 -0.160 0.000 0.994 652 T CB 2.165 70.940 68.868 -0.154 0.000 0.960 652 T HN 0.211 nan 8.240 nan 0.000 0.448 653 G N 1.201 109.938 108.800 -0.104 0.000 2.570 653 G HA2 0.515 4.467 3.960 -0.013 0.000 0.276 653 G HA3 0.515 4.467 3.960 -0.013 0.000 0.276 653 G C 0.141 175.002 174.900 -0.065 0.000 1.346 653 G CA -0.596 44.453 45.100 -0.086 0.000 1.034 653 G HN 1.003 nan 8.290 nan 0.000 0.512 654 A N -0.591 122.176 122.820 -0.088 0.000 2.462 654 A HA 0.566 4.878 4.320 -0.013 0.000 0.243 654 A C 0.829 178.392 177.584 -0.034 0.000 1.076 654 A CA 0.593 52.593 52.037 -0.061 0.000 0.773 654 A CB -0.167 18.656 19.000 -0.295 0.000 1.010 654 A HN 1.251 nan 8.150 nan 0.000 0.493 655 T N -0.073 114.530 114.554 0.082 0.000 2.932 655 T HA 0.576 4.918 4.350 -0.013 0.000 0.289 655 T C -2.431 172.373 174.700 0.172 0.000 1.039 655 T CA -1.875 60.275 62.100 0.084 0.000 1.024 655 T CB 1.561 70.466 68.868 0.062 0.000 1.090 655 T HN 0.250 nan 8.240 nan 0.000 0.496 656 P HA -0.075 nan 4.420 nan 0.000 0.227 656 P C 0.766 178.134 177.300 0.113 0.000 1.145 656 P CA 0.868 64.046 63.100 0.131 0.000 0.769 656 P CB -0.077 31.663 31.700 0.066 0.000 0.769 657 D N -2.562 117.900 120.400 0.103 0.000 2.339 657 D HA 0.100 4.732 4.640 -0.013 0.000 0.217 657 D C 1.466 177.789 176.300 0.038 0.000 1.050 657 D CA 0.530 54.568 54.000 0.063 0.000 0.856 657 D CB -0.597 40.239 40.800 0.060 0.000 0.922 657 D HN 0.204 nan 8.370 nan 0.000 0.518 658 G N 0.856 109.698 108.800 0.069 0.000 2.195 658 G HA2 -0.291 3.661 3.960 -0.013 0.000 0.224 658 G HA3 -0.291 3.661 3.960 -0.013 0.000 0.224 658 G C 0.306 175.192 174.900 -0.022 0.000 0.990 658 G CA -0.067 44.971 45.100 -0.103 0.000 0.639 658 G HN 0.565 nan 8.290 nan 0.000 0.514 659 R N 1.481 122.048 120.500 0.111 0.000 2.489 659 R HA 0.386 4.718 4.340 -0.013 0.000 0.287 659 R C 0.266 176.711 176.300 0.240 0.000 1.053 659 R CA -0.077 56.096 56.100 0.121 0.000 1.036 659 R CB 0.258 30.611 30.300 0.087 0.000 0.966 659 R HN 0.234 nan 8.270 nan 0.000 0.432 660 K N 2.149 122.665 120.400 0.194 0.000 2.185 660 K HA 0.031 4.343 4.320 -0.013 0.000 0.271 660 K C 0.095 176.757 176.600 0.103 0.000 1.013 660 K CA -0.216 56.207 56.287 0.226 0.000 0.943 660 K CB 1.335 33.942 32.500 0.178 0.000 0.998 660 K HN 0.590 nan 8.250 nan 0.000 0.468 661 S N 0.665 116.398 115.700 0.055 0.000 2.561 661 S HA 0.039 4.501 4.470 -0.013 0.000 0.294 661 S C 1.277 175.877 174.600 -0.001 0.000 1.294 661 S CA 1.358 59.556 58.200 -0.002 0.000 1.055 661 S CB -0.276 62.904 63.200 -0.034 0.000 0.819 661 S HN 0.857 nan 8.310 nan 0.000 0.503 662 G N 3.226 112.013 108.800 -0.022 0.000 2.234 662 G HA2 -0.211 3.741 3.960 -0.013 0.000 0.260 662 G HA3 -0.211 3.741 3.960 -0.013 0.000 0.260 662 G C 0.068 174.962 174.900 -0.009 0.000 0.987 662 G CA 0.412 45.498 45.100 -0.023 0.000 0.625 662 G HN 0.761 nan 8.290 nan 0.000 0.532 663 Q N 1.053 120.857 119.800 0.006 0.000 2.354 663 Q HA 0.421 4.753 4.340 -0.013 0.000 0.244 663 Q C -2.203 173.803 176.000 0.011 0.000 0.969 663 Q CA -1.771 54.040 55.803 0.014 0.000 0.885 663 Q CB 0.380 29.134 28.738 0.028 0.000 1.241 663 Q HN 0.252 nan 8.270 nan 0.000 0.461 664 P HA 0.053 nan 4.420 nan 0.000 0.269 664 P C -0.356 176.961 177.300 0.028 0.000 1.215 664 P CA 0.144 63.256 63.100 0.020 0.000 0.780 664 P CB 0.502 32.215 31.700 0.021 0.000 0.898 665 L N 0.960 122.204 121.223 0.035 0.000 2.431 665 L HA 0.568 4.900 4.340 -0.013 0.000 0.260 665 L C 0.891 177.795 176.870 0.057 0.000 1.098 665 L CA -1.178 53.689 54.840 0.045 0.000 0.800 665 L CB 0.428 42.519 42.059 0.052 0.000 1.210 665 L HN 0.345 nan 8.230 nan 0.000 0.465 666 A N 0.685 123.548 122.820 0.071 0.000 2.425 666 A HA 0.182 4.494 4.320 -0.013 0.000 0.242 666 A C -0.491 177.154 177.584 0.101 0.000 1.077 666 A CA -0.492 51.602 52.037 0.095 0.000 0.781 666 A CB -0.059 19.015 19.000 0.123 0.000 1.020 666 A HN 0.734 nan 8.150 nan 0.000 0.494 667 D N 1.599 122.070 120.400 0.118 0.000 2.280 667 D HA 0.441 5.073 4.640 -0.013 0.000 0.243 667 D C 0.878 177.291 176.300 0.187 0.000 1.129 667 D CA 0.475 54.554 54.000 0.131 0.000 0.848 667 D CB 0.722 41.593 40.800 0.117 0.000 1.107 667 D HN 1.180 nan 8.370 nan 0.000 0.471 668 G N 2.160 111.075 108.800 0.192 0.000 2.591 668 G HA2 -0.327 3.625 3.960 -0.013 0.000 0.298 668 G HA3 -0.327 3.625 3.960 -0.013 0.000 0.298 668 G C 0.689 175.716 174.900 0.211 0.000 1.195 668 G CA 1.245 46.485 45.100 0.233 0.000 0.989 668 G HN 1.291 nan 8.290 nan 0.000 0.551 669 V N -2.162 117.914 119.914 0.270 0.000 3.177 669 V HA 0.652 4.764 4.120 -0.013 0.000 0.342 669 V C 0.846 177.140 176.094 0.333 0.000 1.379 669 V CA 0.830 63.272 62.300 0.237 0.000 1.191 669 V CB 0.150 32.104 31.823 0.219 0.000 1.167 669 V HN 0.829 nan 8.190 nan 0.000 0.471 670 S N 2.581 118.513 115.700 0.387 0.000 2.592 670 S HA 0.506 4.968 4.470 -0.013 0.000 0.271 670 S C -2.272 172.562 174.600 0.390 0.000 1.326 670 S CA -0.456 58.015 58.200 0.451 0.000 1.024 670 S CB 0.988 64.425 63.200 0.396 0.000 0.921 670 S HN 0.371 nan 8.310 nan 0.000 0.527 671 P HA 0.227 nan 4.420 nan 0.000 0.274 671 P C -0.577 176.848 177.300 0.208 0.000 1.237 671 P CA -0.307 62.961 63.100 0.280 0.000 0.793 671 P CB 0.462 32.208 31.700 0.075 0.000 0.977 672 S N 1.128 116.937 115.700 0.182 0.000 2.584 672 S HA 0.155 4.617 4.470 -0.013 0.000 0.270 672 S C 0.176 174.819 174.600 0.071 0.000 1.346 672 S CA -0.518 57.752 58.200 0.116 0.000 1.018 672 S CB 0.010 63.270 63.200 0.100 0.000 0.899 672 S HN 0.275 nan 8.310 nan 0.000 0.542 673 R N 0.994 121.521 120.500 0.045 0.000 2.481 673 R HA 0.095 4.427 4.340 -0.013 0.000 0.291 673 R C 1.519 177.819 176.300 -0.001 0.000 0.934 673 R CA 0.844 56.951 56.100 0.012 0.000 1.116 673 R CB -0.616 29.688 30.300 0.006 0.000 0.895 673 R HN 1.031 nan 8.270 nan 0.000 0.410 674 G N 1.962 110.745 108.800 -0.028 0.000 2.225 674 G HA2 -0.380 3.572 3.960 -0.013 0.000 0.272 674 G HA3 -0.380 3.572 3.960 -0.013 0.000 0.272 674 G C 0.792 175.683 174.900 -0.014 0.000 0.996 674 G CA 0.558 45.636 45.100 -0.036 0.000 0.710 674 G HN 0.735 nan 8.290 nan 0.000 0.522 675 C N 0.764 120.069 119.300 0.009 0.000 2.590 675 C HA 0.206 4.658 4.460 -0.013 0.000 0.272 675 C C 1.138 176.140 174.990 0.019 0.000 1.338 675 C CA 0.229 59.260 59.018 0.021 0.000 1.746 675 C CB -0.223 27.547 27.740 0.050 0.000 2.020 675 C HN 0.716 nan 8.230 nan 0.000 0.531 676 D N 1.803 122.219 120.400 0.026 0.000 2.494 676 D HA 0.161 4.793 4.640 -0.013 0.000 0.217 676 D C 0.536 176.878 176.300 0.070 0.000 1.153 676 D CA 0.030 54.058 54.000 0.047 0.000 0.954 676 D CB 0.453 41.312 40.800 0.097 0.000 1.034 676 D HN 0.363 nan 8.370 nan 0.000 0.518 677 V N -0.314 119.622 119.914 0.038 0.000 3.177 677 V HA 0.267 4.379 4.120 -0.013 0.000 0.342 677 V C 0.496 176.613 176.094 0.038 0.000 1.379 677 V CA -0.334 61.984 62.300 0.031 0.000 1.191 677 V CB -0.199 31.627 31.823 0.005 0.000 1.167 677 V HN 0.276 nan 8.190 nan 0.000 0.471 678 S N 1.039 116.768 115.700 0.048 0.000 2.663 678 S HA 0.684 5.146 4.470 -0.013 0.000 0.243 678 S C 0.838 175.454 174.600 0.026 0.000 1.009 678 S CA 0.227 58.444 58.200 0.027 0.000 0.988 678 S CB 0.415 63.620 63.200 0.007 0.000 0.896 678 S HN 1.567 nan 8.310 nan 0.000 0.502 679 G N 2.416 111.253 108.800 0.062 0.000 2.662 679 G HA2 -0.085 3.867 3.960 -0.013 0.000 0.686 679 G HA3 -0.085 3.867 3.960 -0.013 0.000 0.686 679 G C -2.708 172.071 174.900 -0.202 0.000 1.271 679 G CA -0.917 44.187 45.100 0.007 0.000 0.816 679 G HN 0.076 nan 8.290 nan 0.000 0.608 680 P HA -0.044 nan 4.420 nan 0.000 0.215 680 P C 2.104 179.310 177.300 -0.157 0.000 1.153 680 P CA 2.415 65.226 63.100 -0.482 0.000 0.853 680 P CB 0.006 31.602 31.700 -0.173 0.000 0.788 681 T N -0.306 114.211 114.554 -0.062 0.000 2.708 681 T HA -0.164 4.178 4.350 -0.013 0.000 0.266 681 T C 1.932 176.632 174.700 -0.001 0.000 1.037 681 T CA 1.780 63.878 62.100 -0.003 0.000 1.146 681 T CB -1.084 67.787 68.868 0.005 0.000 0.865 681 T HN 0.047 nan 8.240 nan 0.000 0.435 682 A N 1.454 124.260 122.820 -0.024 0.000 1.940 682 A HA 0.062 4.374 4.320 -0.013 0.000 0.219 682 A C 2.630 180.183 177.584 -0.052 0.000 1.176 682 A CA 1.998 54.020 52.037 -0.025 0.000 0.631 682 A CB -1.106 17.879 19.000 -0.025 0.000 0.814 682 A HN 0.526 nan 8.150 nan 0.000 0.446 683 A N -1.089 121.691 122.820 -0.067 0.000 1.902 683 A HA -0.164 4.148 4.320 -0.013 0.000 0.217 683 A C 2.301 179.852 177.584 -0.055 0.000 1.181 683 A CA 1.654 53.642 52.037 -0.082 0.000 0.623 683 A CB -1.268 17.726 19.000 -0.009 0.000 0.818 683 A HN 0.607 nan 8.150 nan 0.000 0.443 684 C N -0.105 119.230 119.300 0.058 0.000 2.425 684 C HA -0.078 4.374 4.460 -0.013 0.000 0.277 684 C C 2.619 177.722 174.990 0.188 0.000 1.280 684 C CA 1.081 60.182 59.018 0.140 0.000 1.744 684 C CB -1.447 26.428 27.740 0.225 0.000 1.989 684 C HN 0.633 nan 8.230 nan 0.000 0.491 685 N N 1.042 119.803 118.700 0.102 0.000 2.188 685 N HA -0.081 4.651 4.740 -0.013 0.000 0.184 685 N C 1.909 177.462 175.510 0.071 0.000 1.018 685 N CA 1.322 54.429 53.050 0.096 0.000 0.858 685 N CB -0.525 37.997 38.487 0.057 0.000 0.989 685 N HN 0.433 nan 8.380 nan 0.000 0.426 686 S N 0.323 116.004 115.700 -0.033 0.000 2.355 686 S HA -0.028 4.434 4.470 -0.013 0.000 0.222 686 S C 2.221 176.872 174.600 0.085 0.000 1.031 686 S CA 0.689 58.840 58.200 -0.082 0.000 0.993 686 S CB -0.205 62.697 63.200 -0.496 0.000 0.859 686 S HN 0.078 nan 8.310 nan 0.000 0.453 687 V N 2.538 122.442 119.914 -0.016 0.000 2.407 687 V HA -0.134 3.978 4.120 -0.013 0.000 0.248 687 V C 2.508 178.849 176.094 0.412 0.000 1.055 687 V CA 1.825 64.238 62.300 0.189 0.000 1.049 687 V CB -1.022 30.583 31.823 -0.363 0.000 0.662 687 V HN 0.691 nan 8.190 nan 0.000 0.455 688 S N -0.378 115.529 115.700 0.345 0.000 2.555 688 S HA -0.107 4.355 4.470 -0.013 0.000 0.230 688 S C 1.680 176.443 174.600 0.272 0.000 0.978 688 S CA 0.828 59.187 58.200 0.264 0.000 0.934 688 S CB -0.414 62.849 63.200 0.105 0.000 0.766 688 S HN 0.653 nan 8.310 nan 0.000 0.533 689 K N 0.427 120.982 120.400 0.258 0.000 2.365 689 K HA 0.261 4.573 4.320 -0.013 0.000 0.197 689 K C 0.455 177.170 176.600 0.192 0.000 1.042 689 K CA 0.090 56.504 56.287 0.211 0.000 0.987 689 K CB -0.191 32.427 32.500 0.197 0.000 0.779 689 K HN 0.422 nan 8.250 nan 0.000 0.484 690 L N 1.252 122.586 121.223 0.184 0.000 2.476 690 L HA 0.041 4.373 4.340 -0.013 0.000 0.255 690 L C 0.514 177.397 176.870 0.021 0.000 1.218 690 L CA -0.368 54.487 54.840 0.026 0.000 0.819 690 L CB 0.173 42.145 42.059 -0.146 0.000 1.119 690 L HN 0.027 nan 8.230 nan 0.000 0.485 691 D N -0.284 120.106 120.400 -0.017 0.000 2.441 691 D HA 0.050 4.682 4.640 -0.013 0.000 0.221 691 D C 0.768 177.075 176.300 0.012 0.000 1.156 691 D CA -0.056 54.003 54.000 0.098 0.000 0.896 691 D CB 0.398 41.263 40.800 0.108 0.000 1.028 691 D HN 0.397 nan 8.370 nan 0.000 0.509 692 H N 3.006 122.166 119.070 0.149 0.000 2.548 692 H HA 0.001 4.549 4.556 -0.013 0.000 0.265 692 H C 0.986 176.334 175.328 0.033 0.000 0.969 692 H CA 0.284 56.372 56.048 0.068 0.000 1.155 692 H CB 0.516 30.308 29.762 0.049 0.000 1.394 692 H HN 0.440 nan 8.280 nan 0.000 0.570 693 F N 0.219 120.296 119.950 0.212 0.000 2.219 693 F HA -0.017 4.502 4.527 -0.013 0.000 0.294 693 F C 2.574 178.431 175.800 0.096 0.000 1.086 693 F CA 0.372 58.463 58.000 0.152 0.000 1.330 693 F CB -0.173 38.884 39.000 0.096 0.000 1.047 693 F HN 0.025 nan 8.300 nan 0.000 0.495 694 I N 0.103 120.826 120.570 0.254 0.000 2.315 694 I HA -0.123 4.039 4.170 -0.013 0.000 0.248 694 I C 1.556 177.717 176.117 0.073 0.000 1.117 694 I CA 0.629 62.008 61.300 0.130 0.000 1.404 694 I CB -0.151 37.900 38.000 0.086 0.000 1.071 694 I HN 0.035 nan 8.210 nan 0.000 0.419 695 A N 0.625 123.476 122.820 0.050 0.000 3.029 695 A HA 0.091 4.403 4.320 -0.013 0.000 0.251 695 A C 1.653 179.217 177.584 -0.033 0.000 1.749 695 A CA 0.536 52.569 52.037 -0.007 0.000 1.386 695 A CB -0.944 18.025 19.000 -0.052 0.000 1.043 695 A HN 0.573 nan 8.150 nan 0.000 0.638 696 S N -0.064 115.649 115.700 0.022 0.000 2.537 696 S HA -0.161 4.301 4.470 -0.013 0.000 0.240 696 S C 1.344 175.948 174.600 0.007 0.000 0.981 696 S CA 1.314 59.539 58.200 0.042 0.000 0.948 696 S CB -0.381 62.818 63.200 -0.002 0.000 0.759 696 S HN 0.661 nan 8.310 nan 0.000 0.531 697 N N 1.809 120.503 118.700 -0.011 0.000 2.398 697 N HA 0.277 5.009 4.740 -0.013 0.000 0.188 697 N C 0.502 176.044 175.510 0.052 0.000 1.122 697 N CA 0.825 53.913 53.050 0.064 0.000 0.866 697 N CB 0.122 38.669 38.487 0.100 0.000 0.970 697 N HN 0.661 nan 8.380 nan 0.000 0.462 698 G N -0.890 107.775 108.800 -0.225 0.000 2.674 698 G HA2 0.008 3.960 3.960 -0.013 0.000 0.686 698 G HA3 0.008 3.960 3.960 -0.013 0.000 0.686 698 G C -0.680 173.967 174.900 -0.422 0.000 1.195 698 G CA -0.427 44.289 45.100 -0.640 0.000 0.776 698 G HN 0.448 nan 8.290 nan 0.000 0.654 699 T N -1.180 113.008 114.554 -0.610 0.000 2.893 699 T HA 0.779 5.121 4.350 -0.013 0.000 0.291 699 T C -0.379 174.429 174.700 0.180 0.000 1.028 699 T CA -0.743 61.326 62.100 -0.052 0.000 0.995 699 T CB 2.264 71.182 68.868 0.083 0.000 1.051 699 T HN 1.567 nan 8.240 nan 0.000 0.470 700 L N 3.185 124.591 121.223 0.305 0.000 2.341 700 L HA 0.798 5.130 4.340 -0.013 0.000 0.278 700 L C -1.736 175.483 176.870 0.581 0.000 1.005 700 L CA -1.103 53.980 54.840 0.405 0.000 0.818 700 L CB 1.468 43.681 42.059 0.256 0.000 1.259 700 L HN 0.796 nan 8.230 nan 0.000 0.418 701 F N 5.198 125.436 119.950 0.481 0.000 2.460 701 F HA 0.533 5.053 4.527 -0.013 0.000 0.341 701 F C -0.720 175.079 175.800 -0.003 0.000 1.130 701 F CA -0.998 57.108 58.000 0.178 0.000 0.962 701 F CB 1.248 40.296 39.000 0.080 0.000 1.171 701 F HN 0.422 nan 8.300 nan 0.000 0.436 702 N N 4.747 123.420 118.700 -0.046 0.000 2.417 702 N HA 0.423 5.155 4.740 -0.013 0.000 0.300 702 N C -1.310 173.897 175.510 -0.506 0.000 1.102 702 N CA -0.335 52.555 53.050 -0.266 0.000 0.886 702 N CB 1.993 40.457 38.487 -0.038 0.000 1.203 702 N HN 0.672 nan 8.380 nan 0.000 0.496 703 Q N 0.718 120.240 119.800 -0.463 0.000 2.309 703 Q HA 0.310 4.642 4.340 -0.013 0.000 0.273 703 Q C -1.349 174.586 176.000 -0.108 0.000 1.040 703 Q CA -0.629 54.977 55.803 -0.328 0.000 0.834 703 Q CB 2.871 31.374 28.738 -0.392 0.000 1.345 703 Q HN 0.384 nan 8.270 nan 0.000 0.414 704 K N 2.823 123.124 120.400 -0.165 0.000 2.413 704 K HA 0.518 4.830 4.320 -0.013 0.000 0.257 704 K C -1.621 174.848 176.600 -0.219 0.000 0.946 704 K CA -0.290 55.941 56.287 -0.093 0.000 0.823 704 K CB 0.852 33.301 32.500 -0.084 0.000 1.109 704 K HN 0.349 nan 8.250 nan 0.000 0.427 705 F N 1.975 121.961 119.950 0.060 0.000 2.470 705 F HA 0.270 4.789 4.527 -0.013 0.000 0.329 705 F C 0.682 176.499 175.800 0.028 0.000 1.072 705 F CA -0.765 57.266 58.000 0.050 0.000 0.989 705 F CB 1.183 40.177 39.000 -0.010 0.000 1.193 705 F HN 0.512 nan 8.300 nan 0.000 0.481 706 H N 3.622 122.800 119.070 0.180 0.000 2.652 706 H HA 0.150 4.698 4.556 -0.013 0.000 0.349 706 H C -1.958 173.417 175.328 0.079 0.000 1.099 706 H CA -1.633 54.463 56.048 0.080 0.000 1.417 706 H CB 1.775 31.567 29.762 0.050 0.000 1.457 706 H HN 0.291 nan 8.280 nan 0.000 0.568 707 P HA -0.219 nan 4.420 nan 0.000 0.217 707 P C 1.584 178.877 177.300 -0.012 0.000 1.151 707 P CA 2.393 65.381 63.100 -0.186 0.000 0.849 707 P CB 0.076 31.608 31.700 -0.279 0.000 0.787 708 S N -0.806 115.014 115.700 0.200 0.000 2.442 708 S HA -0.128 4.334 4.470 -0.013 0.000 0.236 708 S C 1.986 176.644 174.600 0.097 0.000 1.007 708 S CA 1.109 59.430 58.200 0.201 0.000 0.965 708 S CB -1.288 62.081 63.200 0.282 0.000 0.773 708 S HN 0.149 nan 8.310 nan 0.000 0.504 709 A N 0.532 123.414 122.820 0.104 0.000 2.119 709 A HA 0.361 4.673 4.320 -0.013 0.000 0.217 709 A C 1.687 179.183 177.584 -0.147 0.000 1.153 709 A CA 0.677 52.708 52.037 -0.010 0.000 0.692 709 A CB -0.344 18.685 19.000 0.049 0.000 0.799 709 A HN 0.497 nan 8.150 nan 0.000 0.458 710 L N -0.870 120.279 121.223 -0.124 0.000 2.808 710 L HA 0.234 4.566 4.340 -0.013 0.000 0.246 710 L C 0.755 177.566 176.870 -0.098 0.000 1.153 710 L CA 0.166 54.907 54.840 -0.164 0.000 0.956 710 L CB 0.158 42.108 42.059 -0.182 0.000 1.270 710 L HN 0.217 nan 8.230 nan 0.000 0.528 711 K N 1.032 121.395 120.400 -0.061 0.000 2.382 711 K HA 0.413 4.725 4.320 -0.013 0.000 0.275 711 K C 0.600 177.171 176.600 -0.049 0.000 1.009 711 K CA 0.792 57.055 56.287 -0.040 0.000 0.970 711 K CB 0.284 32.774 32.500 -0.017 0.000 0.934 711 K HN 0.184 nan 8.250 nan 0.000 0.479 712 G N 3.414 112.189 108.800 -0.041 0.000 2.880 712 G HA2 -0.230 3.722 3.960 -0.013 0.000 0.617 712 G HA3 -0.230 3.722 3.960 -0.013 0.000 0.617 712 G C 0.104 174.970 174.900 -0.056 0.000 1.493 712 G CA -0.113 44.961 45.100 -0.044 0.000 0.916 712 G HN 0.813 nan 8.290 nan 0.000 0.553 713 D N 0.074 120.442 120.400 -0.053 0.000 2.182 713 D HA -0.107 4.525 4.640 -0.013 0.000 0.201 713 D C 2.188 178.446 176.300 -0.070 0.000 0.986 713 D CA 1.466 55.430 54.000 -0.060 0.000 0.847 713 D CB -0.129 40.641 40.800 -0.051 0.000 0.942 713 D HN 0.442 nan 8.370 nan 0.000 0.467 714 N N 0.395 119.055 118.700 -0.067 0.000 2.166 714 N HA -0.110 4.622 4.740 -0.013 0.000 0.186 714 N C 1.868 177.316 175.510 -0.102 0.000 1.019 714 N CA 1.669 54.674 53.050 -0.074 0.000 0.856 714 N CB -0.373 38.077 38.487 -0.061 0.000 0.993 714 N HN 0.161 nan 8.380 nan 0.000 0.426 715 G N 0.199 108.934 108.800 -0.109 0.000 2.408 715 G HA2 -0.142 3.810 3.960 -0.013 0.000 0.217 715 G HA3 -0.142 3.810 3.960 -0.013 0.000 0.217 715 G C 1.470 176.255 174.900 -0.192 0.000 1.150 715 G CA 0.529 45.537 45.100 -0.154 0.000 0.776 715 G HN 0.303 nan 8.290 nan 0.000 0.542 716 L N 0.065 121.199 121.223 -0.148 0.000 2.093 716 L HA -0.023 4.309 4.340 -0.013 0.000 0.208 716 L C 3.066 179.843 176.870 -0.156 0.000 1.085 716 L CA 0.560 55.310 54.840 -0.149 0.000 0.755 716 L CB -0.375 41.624 42.059 -0.100 0.000 0.904 716 L HN 0.153 nan 8.230 nan 0.000 0.435 717 M N -0.302 119.221 119.600 -0.130 0.000 2.117 717 M HA -0.155 4.317 4.480 -0.013 0.000 0.262 717 M C 1.984 178.195 176.300 -0.148 0.000 1.065 717 M CA 1.522 56.752 55.300 -0.117 0.000 1.114 717 M CB -1.238 31.308 32.600 -0.090 0.000 1.361 717 M HN 0.303 nan 8.290 nan 0.000 0.408 718 N N 0.690 119.285 118.700 -0.176 0.000 2.142 718 N HA -0.092 4.640 4.740 -0.013 0.000 0.186 718 N C 1.823 177.159 175.510 -0.290 0.000 1.023 718 N CA 0.835 53.762 53.050 -0.205 0.000 0.852 718 N CB -0.416 37.945 38.487 -0.211 0.000 0.998 718 N HN 0.284 nan 8.380 nan 0.000 0.424 719 L N 1.059 122.053 121.223 -0.381 0.000 2.046 719 L HA -0.072 4.260 4.340 -0.013 0.000 0.208 719 L C 1.817 178.444 176.870 -0.404 0.000 1.077 719 L CA 1.346 55.867 54.840 -0.530 0.000 0.747 719 L CB -0.673 41.023 42.059 -0.604 0.000 0.896 719 L HN 0.068 nan 8.230 nan 0.000 0.432 720 S N -0.352 115.180 115.700 -0.281 0.000 2.368 720 S HA -0.146 4.316 4.470 -0.013 0.000 0.225 720 S C 2.042 176.535 174.600 -0.178 0.000 1.030 720 S CA 1.508 59.580 58.200 -0.212 0.000 0.999 720 S CB -0.030 63.090 63.200 -0.134 0.000 0.844 720 S HN 0.484 nan 8.310 nan 0.000 0.459 721 S N 1.496 117.104 115.700 -0.154 0.000 2.368 721 S HA -0.022 4.440 4.470 -0.013 0.000 0.224 721 S C 1.804 176.340 174.600 -0.106 0.000 1.029 721 S CA 0.818 58.953 58.200 -0.108 0.000 0.988 721 S CB -0.431 62.714 63.200 -0.091 0.000 0.838 721 S HN 0.336 nan 8.310 nan 0.000 0.462 722 L N 2.075 123.210 121.223 -0.146 0.000 2.012 722 L HA -0.062 4.270 4.340 -0.013 0.000 0.210 722 L C 1.924 178.739 176.870 -0.093 0.000 1.073 722 L CA 1.661 56.440 54.840 -0.101 0.000 0.748 722 L CB -0.598 41.373 42.059 -0.146 0.000 0.891 722 L HN 0.294 nan 8.230 nan 0.000 0.431 723 I N -0.896 119.545 120.570 -0.214 0.000 2.142 723 I HA -0.330 3.832 4.170 -0.013 0.000 0.240 723 I C 2.692 178.591 176.117 -0.364 0.000 1.078 723 I CA 1.472 62.543 61.300 -0.383 0.000 1.343 723 I CB -0.405 37.263 38.000 -0.553 0.000 1.046 723 I HN 0.235 nan 8.210 nan 0.000 0.405 724 R N 0.191 120.579 120.500 -0.186 0.000 2.091 724 R HA -0.184 4.148 4.340 -0.013 0.000 0.238 724 R C 2.590 178.905 176.300 0.025 0.000 1.136 724 R CA 1.809 57.883 56.100 -0.043 0.000 0.959 724 R CB -0.439 29.850 30.300 -0.018 0.000 0.856 724 R HN 0.313 nan 8.270 nan 0.000 0.437 725 S N -0.092 115.617 115.700 0.015 0.000 2.368 725 S HA -0.203 4.259 4.470 -0.013 0.000 0.225 725 S C 1.839 176.513 174.600 0.123 0.000 1.030 725 S CA 1.113 59.350 58.200 0.061 0.000 0.999 725 S CB -0.285 62.943 63.200 0.048 0.000 0.844 725 S HN 0.465 nan 8.310 nan 0.000 0.459 726 Y N 0.938 121.237 120.300 -0.002 0.000 2.242 726 Y HA 0.030 4.572 4.550 -0.013 0.000 0.291 726 Y C 1.668 177.701 175.900 0.222 0.000 1.137 726 Y CA 1.419 59.562 58.100 0.071 0.000 1.181 726 Y CB -0.573 37.909 38.460 0.036 0.000 0.989 726 Y HN 0.314 nan 8.280 nan 0.000 0.527 727 F N 0.596 120.505 119.950 -0.069 0.000 2.259 727 F HA -0.093 4.427 4.527 -0.013 0.000 0.298 727 F C 2.037 177.773 175.800 -0.107 0.000 1.088 727 F CA 1.028 58.934 58.000 -0.156 0.000 1.358 727 F CB -1.019 37.976 39.000 -0.009 0.000 1.040 727 F HN 0.103 nan 8.300 nan 0.000 0.505 728 D N -0.246 120.244 120.400 0.151 0.000 2.218 728 D HA -0.140 4.492 4.640 -0.013 0.000 0.204 728 D C 1.681 178.018 176.300 0.062 0.000 0.976 728 D CA 0.942 54.999 54.000 0.095 0.000 0.853 728 D CB -0.364 40.483 40.800 0.080 0.000 0.939 728 D HN 0.373 nan 8.370 nan 0.000 0.481 729 Q N 0.276 120.094 119.800 0.031 0.000 2.282 729 Q HA 0.047 4.379 4.340 -0.013 0.000 0.205 729 Q C -0.255 175.738 176.000 -0.012 0.000 0.915 729 Q CA -0.005 55.813 55.803 0.026 0.000 0.949 729 Q CB 0.412 29.176 28.738 0.043 0.000 1.035 729 Q HN -0.039 nan 8.270 nan 0.000 0.484 730 K N -0.968 119.397 120.400 -0.058 0.000 3.218 730 K HA -0.112 4.200 4.320 -0.013 0.000 0.276 730 K C -0.041 176.340 176.600 -0.365 0.000 1.173 730 K CA 0.804 57.022 56.287 -0.115 0.000 0.812 730 K CB -2.299 30.276 32.500 0.124 0.000 1.275 730 K HN 0.468 nan 8.250 nan 0.000 0.504 731 G N -0.267 108.151 108.800 -0.638 0.000 2.503 731 G HA2 0.399 4.351 3.960 -0.013 0.000 0.257 731 G HA3 0.399 4.351 3.960 -0.013 0.000 0.257 731 G C 0.696 175.227 174.900 -0.615 0.000 1.214 731 G CA -0.511 43.906 45.100 -1.140 0.000 0.839 731 G HN 0.148 nan 8.290 nan 0.000 0.559 732 F N 0.378 119.972 119.950 -0.593 0.000 2.188 732 F HA 0.245 4.764 4.527 -0.013 0.000 0.289 732 F C 1.086 176.937 175.800 0.084 0.000 1.082 732 F CA 1.421 59.310 58.000 -0.186 0.000 1.282 732 F CB 0.247 39.308 39.000 0.102 0.000 1.060 732 F HN 0.645 nan 8.300 nan 0.000 0.493 733 H N -1.533 117.890 119.070 0.588 0.000 3.037 733 H HA 0.566 5.114 4.556 -0.013 0.000 0.355 733 H C -2.003 173.645 175.328 0.533 0.000 1.263 733 H CA -0.857 55.476 56.048 0.474 0.000 1.129 733 H CB 1.930 31.879 29.762 0.312 0.000 1.861 733 H HN -0.045 nan 8.280 nan 0.000 0.546 734 V N 2.992 122.506 119.914 -0.667 0.000 3.077 734 V HA 0.409 4.521 4.120 -0.013 0.000 0.299 734 V C -1.932 173.592 176.094 -0.950 0.000 1.276 734 V CA -0.162 61.632 62.300 -0.843 0.000 0.993 734 V CB 2.010 33.479 31.823 -0.590 0.000 1.076 734 V HN 1.120 nan 8.190 nan 0.000 0.434 735 Q N 4.308 123.507 119.800 -1.002 0.000 2.418 735 Q HA 0.712 5.044 4.340 -0.013 0.000 0.282 735 Q C -2.172 173.326 176.000 -0.837 0.000 1.044 735 Q CA -0.745 54.700 55.803 -0.597 0.000 0.813 735 Q CB 2.720 31.374 28.738 -0.139 0.000 1.428 735 Q HN 0.526 nan 8.270 nan 0.000 0.402 736 F N 0.312 120.277 119.950 0.024 0.000 2.563 736 F HA 0.499 5.019 4.527 -0.013 0.000 0.316 736 F C -0.067 175.755 175.800 0.037 0.000 1.076 736 F CA -0.956 57.060 58.000 0.027 0.000 0.921 736 F CB 2.009 41.069 39.000 0.101 0.000 1.209 736 F HN 0.459 nan 8.300 nan 0.000 0.462 737 N N 1.010 119.836 118.700 0.210 0.000 2.430 737 N HA 0.579 5.311 4.740 -0.013 0.000 0.292 737 N C -1.360 174.231 175.510 0.136 0.000 1.051 737 N CA -0.248 52.866 53.050 0.107 0.000 0.917 737 N CB 2.201 40.705 38.487 0.028 0.000 1.164 737 N HN 0.368 nan 8.380 nan 0.000 0.484 738 V N 4.810 124.770 119.914 0.076 0.000 2.380 738 V HA 0.453 4.565 4.120 -0.013 0.000 0.268 738 V C -0.140 175.936 176.094 -0.031 0.000 1.008 738 V CA -0.559 61.769 62.300 0.047 0.000 0.823 738 V CB -0.190 31.654 31.823 0.035 0.000 1.053 738 V HN 0.508 nan 8.190 nan 0.000 0.446 739 I N -1.130 119.399 120.570 -0.068 0.000 3.006 739 I HA 0.677 4.839 4.170 -0.013 0.000 0.306 739 I C -1.131 174.887 176.117 -0.165 0.000 1.250 739 I CA -0.795 60.432 61.300 -0.122 0.000 0.996 739 I CB 2.434 40.352 38.000 -0.138 0.000 1.261 739 I HN 0.232 nan 8.210 nan 0.000 0.442 740 D N 2.663 122.955 120.400 -0.181 0.000 2.255 740 D HA 0.142 4.774 4.640 -0.013 0.000 0.249 740 D C 0.495 176.715 176.300 -0.133 0.000 1.078 740 D CA -0.199 53.698 54.000 -0.173 0.000 0.896 740 D CB 2.231 42.942 40.800 -0.147 0.000 1.194 740 D HN 0.737 nan 8.370 nan 0.000 0.429 741 K N 2.815 123.164 120.400 -0.085 0.000 2.147 741 K HA -0.137 4.175 4.320 -0.013 0.000 0.205 741 K C 1.548 178.085 176.600 -0.106 0.000 1.049 741 K CA 1.022 57.255 56.287 -0.089 0.000 0.936 741 K CB 0.249 32.723 32.500 -0.043 0.000 0.722 741 K HN 0.341 nan 8.250 nan 0.000 0.446 742 K N 0.486 120.837 120.400 -0.082 0.000 2.063 742 K HA -0.128 4.184 4.320 -0.013 0.000 0.208 742 K C 2.009 178.522 176.600 -0.144 0.000 1.048 742 K CA 1.296 57.533 56.287 -0.082 0.000 0.928 742 K CB -0.123 32.352 32.500 -0.042 0.000 0.713 742 K HN 0.135 nan 8.250 nan 0.000 0.442 743 I N 1.543 122.010 120.570 -0.173 0.000 2.226 743 I HA -0.244 3.918 4.170 -0.013 0.000 0.245 743 I C 2.282 178.130 176.117 -0.448 0.000 1.100 743 I CA 1.495 62.633 61.300 -0.270 0.000 1.374 743 I CB -1.042 36.847 38.000 -0.185 0.000 1.057 743 I HN 0.182 nan 8.210 nan 0.000 0.413 744 L N -0.072 120.909 121.223 -0.403 0.000 2.056 744 L HA -0.186 4.146 4.340 -0.013 0.000 0.207 744 L C 2.657 179.360 176.870 -0.278 0.000 1.078 744 L CA 1.108 55.623 54.840 -0.542 0.000 0.749 744 L CB -0.584 41.169 42.059 -0.509 0.000 0.901 744 L HN 0.191 nan 8.230 nan 0.000 0.433 745 L N -0.228 120.887 121.223 -0.180 0.000 2.046 745 L HA -0.196 4.136 4.340 -0.013 0.000 0.208 745 L C 2.920 179.723 176.870 -0.112 0.000 1.077 745 L CA 1.154 55.941 54.840 -0.087 0.000 0.747 745 L CB -0.747 41.273 42.059 -0.064 0.000 0.896 745 L HN 0.252 nan 8.230 nan 0.000 0.432 746 A N 0.163 122.851 122.820 -0.220 0.000 1.902 746 A HA -0.189 4.123 4.320 -0.013 0.000 0.217 746 A C 2.555 179.941 177.584 -0.328 0.000 1.181 746 A CA 1.727 53.614 52.037 -0.249 0.000 0.623 746 A CB -0.723 18.080 19.000 -0.329 0.000 0.818 746 A HN 0.403 nan 8.150 nan 0.000 0.443 747 A N -0.697 121.787 122.820 -0.560 0.000 1.948 747 A HA -0.257 4.055 4.320 -0.013 0.000 0.220 747 A C 2.100 179.730 177.584 0.077 0.000 1.177 747 A CA 1.771 53.655 52.037 -0.255 0.000 0.636 747 A CB -0.570 18.377 19.000 -0.088 0.000 0.815 747 A HN 0.688 nan 8.150 nan 0.000 0.449 748 Q N -0.852 119.005 119.800 0.096 0.000 2.230 748 Q HA -0.092 4.239 4.340 -0.013 0.000 0.202 748 Q C 1.981 178.009 176.000 0.047 0.000 0.963 748 Q CA 1.282 57.136 55.803 0.085 0.000 0.866 748 Q CB -0.083 28.705 28.738 0.083 0.000 0.931 748 Q HN 0.642 nan 8.270 nan 0.000 0.452 749 K N 0.183 120.605 120.400 0.037 0.000 2.098 749 K HA 0.028 4.340 4.320 -0.013 0.000 0.203 749 K C 0.312 176.957 176.600 0.074 0.000 1.051 749 K CA 0.606 56.920 56.287 0.045 0.000 0.957 749 K CB 0.396 32.919 32.500 0.037 0.000 0.738 749 K HN 0.080 nan 8.250 nan 0.000 0.447 750 N N 0.698 119.472 118.700 0.123 0.000 2.762 750 N HA 0.156 4.888 4.740 -0.013 0.000 0.252 750 N C -2.500 173.157 175.510 0.245 0.000 1.269 750 N CA -1.129 52.021 53.050 0.166 0.000 0.799 750 N CB 1.719 40.318 38.487 0.186 0.000 1.173 750 N HN -0.122 nan 8.380 nan 0.000 0.516 751 P HA -0.122 nan 4.420 nan 0.000 0.215 751 P C 0.880 178.277 177.300 0.162 0.000 1.153 751 P CA 1.347 64.554 63.100 0.177 0.000 0.853 751 P CB 0.555 32.312 31.700 0.095 0.000 0.788 752 E N 0.208 120.469 120.200 0.101 0.000 2.130 752 E HA -0.207 4.135 4.350 -0.013 0.000 0.196 752 E C 1.604 178.214 176.600 0.017 0.000 0.998 752 E CA 1.405 57.837 56.400 0.053 0.000 0.806 752 E CB -0.838 28.881 29.700 0.033 0.000 0.738 752 E HN 0.371 nan 8.360 nan 0.000 0.459 753 K N -0.624 119.778 120.400 0.004 0.000 2.418 753 K HA 0.020 4.332 4.320 -0.013 0.000 0.195 753 K C 0.049 176.382 176.600 -0.446 0.000 1.035 753 K CA 0.491 56.645 56.287 -0.221 0.000 1.003 753 K CB 0.288 32.604 32.500 -0.306 0.000 0.793 753 K HN 0.219 nan 8.250 nan 0.000 0.494 754 Y N 0.741 121.063 120.300 0.037 0.000 2.617 754 Y HA 0.207 4.749 4.550 -0.013 0.000 0.328 754 Y C 0.953 176.889 175.900 0.060 0.000 0.946 754 Y CA -0.529 57.597 58.100 0.044 0.000 1.241 754 Y CB 0.401 38.895 38.460 0.056 0.000 1.226 754 Y HN -0.045 nan 8.280 nan 0.000 0.582 755 Q N 0.519 120.388 119.800 0.115 0.000 2.297 755 Q HA -0.124 4.208 4.340 -0.013 0.000 0.204 755 Q C 0.848 176.904 176.000 0.093 0.000 0.962 755 Q CA 1.387 57.250 55.803 0.099 0.000 0.879 755 Q CB 0.195 28.966 28.738 0.054 0.000 0.947 755 Q HN 0.620 nan 8.270 nan 0.000 0.462 756 D N -0.255 120.192 120.400 0.079 0.000 2.368 756 D HA -0.002 4.629 4.640 -0.013 0.000 0.218 756 D C 0.079 176.429 176.300 0.083 0.000 1.112 756 D CA -0.277 53.763 54.000 0.066 0.000 0.834 756 D CB -0.111 40.708 40.800 0.033 0.000 0.953 756 D HN 0.040 nan 8.370 nan 0.000 0.505 757 L N 1.512 122.813 121.223 0.130 0.000 2.369 757 L HA 0.246 4.578 4.340 -0.013 0.000 0.279 757 L C -0.775 176.158 176.870 0.105 0.000 1.108 757 L CA -0.196 54.714 54.840 0.116 0.000 0.852 757 L CB 0.309 42.457 42.059 0.148 0.000 1.169 757 L HN -0.075 nan 8.230 nan 0.000 0.452 758 I N 6.422 127.026 120.570 0.057 0.000 2.404 758 I HA 0.486 4.648 4.170 -0.013 0.000 0.293 758 I C -0.198 175.932 176.117 0.022 0.000 0.992 758 I CA -0.541 60.791 61.300 0.055 0.000 1.149 758 I CB 1.611 39.635 38.000 0.039 0.000 1.315 758 I HN 0.308 nan 8.210 nan 0.000 0.446 759 V N 5.696 125.632 119.914 0.037 0.000 2.962 759 V HA 0.463 4.575 4.120 -0.013 0.000 0.313 759 V C -0.122 175.955 176.094 -0.027 0.000 1.099 759 V CA -0.982 61.320 62.300 0.003 0.000 0.971 759 V CB 2.953 34.791 31.823 0.024 0.000 1.028 759 V HN 0.674 nan 8.190 nan 0.000 0.430 760 R N 1.904 122.378 120.500 -0.043 0.000 2.298 760 R HA 0.490 4.822 4.340 -0.013 0.000 0.310 760 R C 0.076 176.292 176.300 -0.140 0.000 1.068 760 R CA 0.228 56.276 56.100 -0.088 0.000 0.957 760 R CB 1.024 31.306 30.300 -0.030 0.000 1.003 760 R HN 0.520 nan 8.270 nan 0.000 0.454 761 V N 2.565 122.286 119.914 -0.322 0.000 2.465 761 V HA 0.421 4.533 4.120 -0.013 0.000 0.230 761 V C 0.149 176.157 176.094 -0.144 0.000 1.084 761 V CA 0.989 63.100 62.300 -0.315 0.000 1.092 761 V CB -0.277 31.136 31.823 -0.683 0.000 0.730 761 V HN 0.824 nan 8.190 nan 0.000 0.491 762 A N -1.015 121.734 122.820 -0.118 0.000 2.686 762 A HA 0.565 4.877 4.320 -0.013 0.000 0.299 762 A C 0.461 178.240 177.584 0.326 0.000 1.151 762 A CA 0.480 52.606 52.037 0.147 0.000 0.851 762 A CB 0.460 19.586 19.000 0.209 0.000 1.448 762 A HN 1.544 nan 8.150 nan 0.000 0.404 763 G N 0.580 109.544 108.800 0.272 0.000 2.195 763 G HA2 -0.095 3.857 3.960 -0.013 0.000 0.246 763 G HA3 -0.095 3.857 3.960 -0.013 0.000 0.246 763 G C -0.011 175.157 174.900 0.447 0.000 0.984 763 G CA 0.950 46.244 45.100 0.323 0.000 0.633 763 G HN 2.402 nan 8.290 nan 0.000 0.525 764 Y N -1.220 119.181 120.300 0.169 0.000 2.624 764 Y HA 0.766 5.308 4.550 -0.013 0.000 0.334 764 Y C -0.331 175.602 175.900 0.056 0.000 1.155 764 Y CA -0.839 57.318 58.100 0.095 0.000 1.046 764 Y CB 0.658 39.128 38.460 0.018 0.000 1.316 764 Y HN 0.185 nan 8.280 nan 0.000 0.457 765 S N 1.288 117.000 115.700 0.019 0.000 2.565 765 S HA 0.934 5.396 4.470 -0.013 0.000 0.290 765 S C -0.630 173.967 174.600 -0.005 0.000 1.150 765 S CA -0.199 57.964 58.200 -0.062 0.000 1.058 765 S CB 1.428 64.634 63.200 0.009 0.000 1.032 765 S HN 1.010 nan 8.310 nan 0.000 0.510 766 A N 1.570 124.372 122.820 -0.031 0.000 2.556 766 A HA 0.608 4.920 4.320 -0.013 0.000 0.294 766 A C -0.865 176.762 177.584 0.071 0.000 1.091 766 A CA -0.759 51.307 52.037 0.048 0.000 0.704 766 A CB 1.115 20.143 19.000 0.047 0.000 1.300 766 A HN 0.718 nan 8.150 nan 0.000 0.406 767 Q N 1.129 120.982 119.800 0.089 0.000 2.286 767 Q HA 0.149 4.481 4.340 -0.013 0.000 0.265 767 Q C 0.143 176.210 176.000 0.111 0.000 1.080 767 Q CA -0.187 55.682 55.803 0.110 0.000 0.906 767 Q CB 0.017 28.822 28.738 0.112 0.000 1.227 767 Q HN 0.717 nan 8.270 nan 0.000 0.409 768 F N 5.521 125.468 119.950 -0.005 0.000 2.087 768 F HA -0.296 4.223 4.527 -0.013 0.000 0.299 768 F C 1.487 177.274 175.800 -0.022 0.000 1.100 768 F CA 2.190 60.176 58.000 -0.023 0.000 1.226 768 F CB -0.061 38.924 39.000 -0.026 0.000 0.983 768 F HN 0.819 nan 8.300 nan 0.000 0.479 769 I N -0.575 120.010 120.570 0.024 0.000 3.334 769 I HA -0.007 4.155 4.170 -0.013 0.000 0.282 769 I C 1.823 177.867 176.117 -0.123 0.000 1.313 769 I CA 1.287 62.540 61.300 -0.079 0.000 1.396 769 I CB -1.429 36.611 38.000 0.065 0.000 1.054 769 I HN 0.193 nan 8.210 nan 0.000 0.495 770 S N -0.151 115.469 115.700 -0.133 0.000 2.524 770 S HA 0.363 4.825 4.470 -0.013 0.000 0.215 770 S C 0.573 175.002 174.600 -0.286 0.000 0.986 770 S CA -0.455 57.628 58.200 -0.194 0.000 0.911 770 S CB -0.503 62.592 63.200 -0.175 0.000 0.805 770 S HN 0.403 nan 8.310 nan 0.000 0.501 771 L N 2.481 123.535 121.223 -0.282 0.000 2.375 771 L HA 0.392 4.724 4.340 -0.013 0.000 0.271 771 L C 0.587 177.300 176.870 -0.262 0.000 1.107 771 L CA -0.653 54.026 54.840 -0.268 0.000 0.806 771 L CB 0.609 42.497 42.059 -0.284 0.000 1.146 771 L HN 0.273 nan 8.230 nan 0.000 0.447 772 D N 1.798 122.085 120.400 -0.188 0.000 2.400 772 D HA -0.043 4.589 4.640 -0.013 0.000 0.238 772 D C 0.729 176.934 176.300 -0.159 0.000 1.157 772 D CA -0.008 53.904 54.000 -0.147 0.000 0.889 772 D CB 1.081 41.821 40.800 -0.100 0.000 1.199 772 D HN 0.485 nan 8.370 nan 0.000 0.436 773 K N 0.823 121.148 120.400 -0.126 0.000 2.103 773 K HA -0.173 4.139 4.320 -0.013 0.000 0.207 773 K C 2.125 178.680 176.600 -0.074 0.000 1.048 773 K CA 1.649 57.870 56.287 -0.110 0.000 0.930 773 K CB -0.182 32.278 32.500 -0.066 0.000 0.716 773 K HN 0.452 nan 8.250 nan 0.000 0.444 774 S N 1.125 116.794 115.700 -0.052 0.000 2.399 774 S HA -0.126 4.336 4.470 -0.013 0.000 0.231 774 S C 2.010 176.594 174.600 -0.027 0.000 1.022 774 S CA 0.998 59.182 58.200 -0.026 0.000 0.983 774 S CB -0.490 62.704 63.200 -0.009 0.000 0.803 774 S HN 0.227 nan 8.310 nan 0.000 0.480 775 I N 1.462 122.001 120.570 -0.052 0.000 2.480 775 I HA -0.111 4.051 4.170 -0.013 0.000 0.251 775 I C 2.952 179.048 176.117 -0.036 0.000 1.124 775 I CA 0.907 62.181 61.300 -0.043 0.000 1.444 775 I CB -0.401 37.564 38.000 -0.058 0.000 1.098 775 I HN 0.331 nan 8.210 nan 0.000 0.428 776 Q N 0.805 120.547 119.800 -0.097 0.000 2.061 776 Q HA -0.201 4.131 4.340 -0.013 0.000 0.204 776 Q C 1.959 178.016 176.000 0.096 0.000 0.984 776 Q CA 1.512 57.289 55.803 -0.043 0.000 0.846 776 Q CB -0.240 28.318 28.738 -0.299 0.000 0.902 776 Q HN 0.491 nan 8.270 nan 0.000 0.421 777 N N 0.885 119.605 118.700 0.034 0.000 2.166 777 N HA -0.163 4.568 4.740 -0.013 0.000 0.186 777 N C 1.323 176.854 175.510 0.035 0.000 1.019 777 N CA 1.360 54.434 53.050 0.040 0.000 0.856 777 N CB -0.382 38.115 38.487 0.016 0.000 0.993 777 N HN 0.250 nan 8.380 nan 0.000 0.426 778 D N 0.881 121.297 120.400 0.027 0.000 2.097 778 D HA -0.033 4.599 4.640 -0.013 0.000 0.195 778 D C 2.025 178.343 176.300 0.029 0.000 0.989 778 D CA 0.733 54.747 54.000 0.023 0.000 0.827 778 D CB -0.149 40.662 40.800 0.018 0.000 0.966 778 D HN 0.196 nan 8.370 nan 0.000 0.456 779 I N 0.235 120.833 120.570 0.047 0.000 2.208 779 I HA -0.248 3.914 4.170 -0.013 0.000 0.245 779 I C 2.407 178.541 176.117 0.027 0.000 1.097 779 I CA 0.760 62.088 61.300 0.047 0.000 1.363 779 I CB -0.247 37.810 38.000 0.096 0.000 1.051 779 I HN 0.104 nan 8.210 nan 0.000 0.413 780 I N 0.845 121.444 120.570 0.048 0.000 2.286 780 I HA -0.262 3.900 4.170 -0.013 0.000 0.248 780 I C 2.659 178.771 176.117 -0.009 0.000 1.115 780 I CA 1.308 62.615 61.300 0.012 0.000 1.392 780 I CB -0.418 37.603 38.000 0.035 0.000 1.065 780 I HN 0.179 nan 8.210 nan 0.000 0.418 781 A N 0.588 123.408 122.820 -0.000 0.000 2.119 781 A HA -0.036 4.276 4.320 -0.013 0.000 0.217 781 A C 1.244 178.813 177.584 -0.025 0.000 1.153 781 A CA 0.252 52.282 52.037 -0.011 0.000 0.692 781 A CB -0.429 18.571 19.000 -0.001 0.000 0.799 781 A HN 0.284 nan 8.150 nan 0.000 0.458 782 R N 0.857 121.342 120.500 -0.025 0.000 2.640 782 R HA 0.183 4.515 4.340 -0.013 0.000 0.270 782 R C -0.121 176.126 176.300 -0.089 0.000 1.024 782 R CA 0.194 56.269 56.100 -0.040 0.000 1.085 782 R CB 0.030 30.310 30.300 -0.033 0.000 0.963 782 R HN 0.229 nan 8.270 nan 0.000 0.426 783 T N 2.338 116.819 114.554 -0.121 0.000 2.946 783 T HA -0.070 4.272 4.350 -0.013 0.000 0.312 783 T C 0.305 174.805 174.700 -0.335 0.000 1.066 783 T CA 0.393 62.350 62.100 -0.238 0.000 1.138 783 T CB 0.301 68.991 68.868 -0.297 0.000 1.014 783 T HN 0.485 nan 8.240 nan 0.000 0.544 784 E N 2.574 122.562 120.200 -0.354 0.000 2.145 784 E HA 0.219 4.561 4.350 -0.013 0.000 0.270 784 E C -0.674 175.695 176.600 -0.385 0.000 0.906 784 E CA -0.770 55.457 56.400 -0.288 0.000 0.761 784 E CB 0.625 30.257 29.700 -0.114 0.000 1.116 784 E HN 0.647 nan 8.360 nan 0.000 0.408 785 H N 1.476 120.410 119.070 -0.226 0.000 2.615 785 H HA 0.552 5.100 4.556 -0.013 0.000 0.346 785 H C -0.025 175.331 175.328 0.046 0.000 1.200 785 H CA -0.570 55.354 56.048 -0.206 0.000 1.264 785 H CB 1.867 31.319 29.762 -0.518 0.000 1.699 785 H HN 0.440 nan 8.280 nan 0.000 0.567 786 V N -1.302 118.800 119.914 0.313 0.000 3.181 786 V HA 0.613 4.725 4.120 -0.013 0.000 0.308 786 V C -0.382 175.883 176.094 0.285 0.000 1.214 786 V CA -0.984 61.502 62.300 0.309 0.000 1.053 786 V CB 2.547 34.447 31.823 0.128 0.000 1.069 786 V HN 0.611 nan 8.190 nan 0.000 0.441 787 M N 0.000 119.693 119.600 0.154 0.000 2.572 787 M HA 0.000 4.472 4.480 -0.013 0.000 0.227 787 M CA 0.000 55.337 55.300 0.062 0.000 0.988 787 M CB 0.000 32.564 32.600 -0.060 0.000 1.302 787 M HN 0.000 nan 8.290 nan 0.000 0.411