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 1r9e_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 0.000 176.071 176.117 -0.076 0.000 1.063 2 I CA 0.000 61.264 61.300 -0.060 0.000 1.566 2 I CB 0.000 37.966 38.000 -0.057 0.000 1.214 3 S N 2.324 117.975 115.700 -0.082 0.000 2.422 3 S HA 0.316 4.777 4.470 -0.016 0.000 0.298 3 S C 0.889 175.408 174.600 -0.134 0.000 1.118 3 S CA -0.805 57.329 58.200 -0.109 0.000 1.083 3 S CB 0.964 64.109 63.200 -0.090 0.000 0.971 3 S HN 0.471 nan 8.310 nan 0.000 0.478 4 K N 2.445 122.735 120.400 -0.183 0.000 2.057 4 K HA 0.062 4.372 4.320 -0.016 0.000 0.207 4 K C 1.278 177.743 176.600 -0.224 0.000 1.049 4 K CA 0.843 57.011 56.287 -0.198 0.000 0.931 4 K CB -0.724 31.635 32.500 -0.235 0.000 0.714 4 K HN 0.915 nan 8.250 nan 0.000 0.440 5 G N 0.864 109.455 108.800 -0.348 0.000 2.707 5 G HA2 -0.178 3.772 3.960 -0.016 0.000 0.686 5 G HA3 -0.178 3.772 3.960 -0.016 0.000 0.686 5 G C -0.942 173.688 174.900 -0.450 0.000 1.315 5 G CA -0.783 44.138 45.100 -0.299 0.000 0.832 5 G HN 0.075 nan 8.290 nan 0.000 0.573 6 F N 1.049 121.000 119.950 0.003 0.000 2.492 6 F HA 0.693 5.210 4.527 -0.016 0.000 0.327 6 F C 1.265 177.098 175.800 0.056 0.000 1.079 6 F CA 0.012 58.022 58.000 0.017 0.000 0.967 6 F CB 2.107 41.119 39.000 0.021 0.000 1.169 6 F HN 0.818 nan 8.300 nan 0.000 0.472 7 S N 0.004 115.873 115.700 0.281 0.000 2.617 7 S HA 0.424 4.884 4.470 -0.016 0.000 0.259 7 S C -0.219 174.543 174.600 0.270 0.000 1.301 7 S CA -0.785 57.561 58.200 0.244 0.000 0.984 7 S CB 0.693 64.035 63.200 0.236 0.000 0.954 7 S HN 0.562 nan 8.310 nan 0.000 0.572 8 T N 2.584 117.176 114.554 0.063 0.000 2.795 8 T HA 0.363 4.703 4.350 -0.016 0.000 0.282 8 T C 0.063 174.519 174.700 -0.406 0.000 0.980 8 T CA -0.753 61.271 62.100 -0.127 0.000 1.012 8 T CB 1.095 69.924 68.868 -0.065 0.000 0.936 8 T HN 0.699 nan 8.240 nan 0.000 0.457 9 Q N 2.092 121.471 119.800 -0.703 0.000 2.394 9 Q HA 0.199 4.529 4.340 -0.016 0.000 0.248 9 Q C 0.285 176.125 176.000 -0.267 0.000 0.992 9 Q CA -0.586 54.802 55.803 -0.690 0.000 0.888 9 Q CB -0.021 28.374 28.738 -0.571 0.000 1.257 9 Q HN 0.742 nan 8.270 nan 0.000 0.462 10 T N -1.175 113.282 114.554 -0.162 0.000 2.734 10 T HA -0.035 4.305 4.350 -0.016 0.000 0.314 10 T C 1.008 175.670 174.700 -0.063 0.000 1.057 10 T CA 0.209 62.265 62.100 -0.073 0.000 1.047 10 T CB 0.544 69.401 68.868 -0.019 0.000 0.991 10 T HN 0.731 nan 8.240 nan 0.000 0.540 11 E N 0.662 120.840 120.200 -0.036 0.000 2.110 11 E HA -0.177 4.163 4.350 -0.016 0.000 0.193 11 E C 2.365 178.954 176.600 -0.018 0.000 0.988 11 E CA 1.615 57.999 56.400 -0.027 0.000 0.804 11 E CB -0.398 29.292 29.700 -0.015 0.000 0.745 11 E HN 0.793 nan 8.360 nan 0.000 0.458 12 R N 0.339 120.834 120.500 -0.007 0.000 2.091 12 R HA -0.148 4.182 4.340 -0.016 0.000 0.238 12 R C 1.918 178.213 176.300 -0.008 0.000 1.136 12 R CA 1.836 57.937 56.100 0.002 0.000 0.959 12 R CB -0.502 29.810 30.300 0.020 0.000 0.856 12 R HN 0.193 nan 8.270 nan 0.000 0.437 13 I N 2.177 122.734 120.570 -0.022 0.000 2.208 13 I HA -0.253 3.907 4.170 -0.016 0.000 0.245 13 I C 1.650 177.754 176.117 -0.023 0.000 1.097 13 I CA 1.347 62.631 61.300 -0.027 0.000 1.363 13 I CB -1.521 36.450 38.000 -0.049 0.000 1.051 13 I HN 0.321 nan 8.210 nan 0.000 0.413 14 N N 1.016 119.699 118.700 -0.029 0.000 2.120 14 N HA -0.110 4.620 4.740 -0.016 0.000 0.188 14 N C 2.016 177.519 175.510 -0.012 0.000 1.024 14 N CA 1.184 54.221 53.050 -0.022 0.000 0.852 14 N CB -0.158 38.313 38.487 -0.026 0.000 1.003 14 N HN 0.376 nan 8.380 nan 0.000 0.424 15 I N 1.181 121.746 120.570 -0.009 0.000 2.179 15 I HA -0.234 3.926 4.170 -0.016 0.000 0.242 15 I C 2.120 178.236 176.117 -0.002 0.000 1.088 15 I CA 0.900 62.199 61.300 -0.003 0.000 1.357 15 I CB -0.285 37.716 38.000 0.002 0.000 1.051 15 I HN 0.039 nan 8.210 nan 0.000 0.409 16 L N 0.644 121.865 121.223 -0.004 0.000 2.083 16 L HA -0.223 4.107 4.340 -0.016 0.000 0.209 16 L C 2.646 179.512 176.870 -0.007 0.000 1.083 16 L CA 1.390 56.225 54.840 -0.007 0.000 0.752 16 L CB -0.649 41.400 42.059 -0.016 0.000 0.899 16 L HN 0.263 nan 8.230 nan 0.000 0.433 17 K N 0.735 121.132 120.400 -0.004 0.000 2.097 17 K HA -0.173 4.137 4.320 -0.016 0.000 0.206 17 K C 2.142 178.743 176.600 0.002 0.000 1.049 17 K CA 1.295 57.583 56.287 0.002 0.000 0.933 17 K CB -0.060 32.443 32.500 0.006 0.000 0.717 17 K HN 0.250 nan 8.250 nan 0.000 0.442 18 A N 1.279 124.099 122.820 -0.001 0.000 1.933 18 A HA -0.195 4.115 4.320 -0.016 0.000 0.218 18 A C 1.966 179.550 177.584 0.000 0.000 1.175 18 A CA 1.413 53.450 52.037 -0.000 0.000 0.628 18 A CB -0.458 18.541 19.000 -0.002 0.000 0.814 18 A HN 0.510 nan 8.150 nan 0.000 0.444 19 Q N -0.522 119.278 119.800 0.000 0.000 2.135 19 Q HA -0.146 4.184 4.340 -0.016 0.000 0.204 19 Q C 1.914 177.913 176.000 -0.002 0.000 0.981 19 Q CA 1.264 57.068 55.803 0.002 0.000 0.856 19 Q CB -0.309 28.432 28.738 0.005 0.000 0.902 19 Q HN 0.615 nan 8.270 nan 0.000 0.425 20 I N 0.599 121.166 120.570 -0.004 0.000 2.193 20 I HA -0.214 3.946 4.170 -0.016 0.000 0.240 20 I C 2.267 178.377 176.117 -0.012 0.000 1.084 20 I CA 1.330 62.624 61.300 -0.009 0.000 1.365 20 I CB -0.978 37.020 38.000 -0.004 0.000 1.064 20 I HN 0.257 nan 8.210 nan 0.000 0.410 21 L N 0.599 121.822 121.223 0.000 0.000 2.201 21 L HA -0.150 4.180 4.340 -0.016 0.000 0.212 21 L C 1.878 178.749 176.870 0.001 0.000 1.105 21 L CA 0.913 55.758 54.840 0.007 0.000 0.775 21 L CB -0.545 41.524 42.059 0.016 0.000 0.913 21 L HN 0.316 nan 8.230 nan 0.000 0.440 22 N N 0.227 118.926 118.700 -0.003 0.000 2.422 22 N HA 0.072 4.802 4.740 -0.016 0.000 0.181 22 N C 0.712 176.216 175.510 -0.010 0.000 1.080 22 N CA 0.348 53.396 53.050 -0.003 0.000 0.893 22 N CB 0.077 38.563 38.487 -0.001 0.000 0.973 22 N HN 0.167 nan 8.380 nan 0.000 0.456 23 A N 0.980 123.788 122.820 -0.020 0.000 2.406 23 A HA 0.213 4.524 4.320 -0.016 0.000 0.243 23 A C 0.221 177.773 177.584 -0.052 0.000 1.082 23 A CA 0.072 52.090 52.037 -0.032 0.000 0.786 23 A CB 0.384 19.360 19.000 -0.040 0.000 1.029 23 A HN 0.082 nan 8.150 nan 0.000 0.495 24 K N 2.013 122.383 120.400 -0.051 0.000 2.473 24 K HA 0.326 4.637 4.320 -0.016 0.000 0.246 24 K C -2.802 173.736 176.600 -0.104 0.000 1.011 24 K CA -1.594 54.655 56.287 -0.064 0.000 0.984 24 K CB 1.093 33.580 32.500 -0.022 0.000 1.250 24 K HN 0.383 nan 8.250 nan 0.000 0.454 25 P HA -0.167 nan 4.420 nan 0.000 0.259 25 P C -0.380 176.843 177.300 -0.128 0.000 1.163 25 P CA 0.064 62.946 63.100 -0.364 0.000 0.760 25 P CB 0.213 31.337 31.700 -0.961 0.000 0.762 26 C N 1.196 120.564 119.300 0.114 0.000 3.285 26 C HA 0.693 5.143 4.460 -0.016 0.000 0.320 26 C C -0.610 174.593 174.990 0.355 0.000 1.411 26 C CA -0.878 58.295 59.018 0.258 0.000 1.429 26 C CB 1.046 28.863 27.740 0.128 0.000 1.812 26 C HN 0.285 nan 8.230 nan 0.000 0.454 27 V N 2.282 122.347 119.914 0.251 0.000 2.370 27 V HA 0.450 4.560 4.120 -0.016 0.000 0.283 27 V C 0.051 176.195 176.094 0.085 0.000 1.023 27 V CA 0.170 62.558 62.300 0.146 0.000 0.857 27 V CB 1.009 32.878 31.823 0.077 0.000 0.985 27 V HN 0.910 nan 8.190 nan 0.000 0.443 28 E N 2.211 122.451 120.200 0.066 0.000 2.248 28 E HA 0.370 4.710 4.350 -0.016 0.000 0.272 28 E C 0.378 176.968 176.600 -0.017 0.000 1.008 28 E CA -0.130 56.288 56.400 0.029 0.000 0.856 28 E CB 1.673 31.397 29.700 0.039 0.000 1.120 28 E HN 0.758 nan 8.360 nan 0.000 0.397 29 S N 0.745 116.422 115.700 -0.039 0.000 2.523 29 S HA 0.019 4.479 4.470 -0.016 0.000 0.217 29 S C 1.117 175.662 174.600 -0.092 0.000 0.996 29 S CA -0.169 57.983 58.200 -0.081 0.000 0.921 29 S CB 0.149 63.297 63.200 -0.087 0.000 0.829 29 S HN 0.337 nan 8.310 nan 0.000 0.495 30 E N 2.761 122.919 120.200 -0.070 0.000 2.065 30 E HA -0.163 4.177 4.350 -0.016 0.000 0.201 30 E C 2.026 178.562 176.600 -0.107 0.000 1.016 30 E CA 1.621 57.976 56.400 -0.075 0.000 0.818 30 E CB -0.364 29.304 29.700 -0.054 0.000 0.749 30 E HN 0.596 nan 8.360 nan 0.000 0.453 31 R N 0.112 120.526 120.500 -0.142 0.000 2.091 31 R HA -0.154 4.176 4.340 -0.016 0.000 0.238 31 R C 2.187 178.356 176.300 -0.220 0.000 1.136 31 R CA 1.496 57.469 56.100 -0.210 0.000 0.959 31 R CB -0.319 29.780 30.300 -0.335 0.000 0.856 31 R HN 0.233 nan 8.270 nan 0.000 0.437 32 A N 1.172 123.856 122.820 -0.227 0.000 1.883 32 A HA -0.181 4.129 4.320 -0.016 0.000 0.217 32 A C 2.189 179.712 177.584 -0.101 0.000 1.186 32 A CA 1.663 53.574 52.037 -0.211 0.000 0.624 32 A CB -0.587 18.278 19.000 -0.226 0.000 0.822 32 A HN 0.390 nan 8.150 nan 0.000 0.444 33 I N -0.485 120.029 120.570 -0.093 0.000 2.286 33 I HA -0.256 3.904 4.170 -0.016 0.000 0.248 33 I C 2.349 178.461 176.117 -0.008 0.000 1.115 33 I CA 1.102 62.371 61.300 -0.052 0.000 1.392 33 I CB -0.246 37.717 38.000 -0.062 0.000 1.065 33 I HN 0.308 nan 8.210 nan 0.000 0.418 34 L N -0.034 121.180 121.223 -0.015 0.000 2.072 34 L HA -0.168 4.163 4.340 -0.016 0.000 0.205 34 L C 2.508 179.475 176.870 0.161 0.000 1.079 34 L CA 1.174 56.051 54.840 0.061 0.000 0.752 34 L CB -0.342 41.678 42.059 -0.064 0.000 0.906 34 L HN 0.239 nan 8.230 nan 0.000 0.436 35 I N -0.498 120.116 120.570 0.074 0.000 2.315 35 I HA -0.281 3.879 4.170 -0.016 0.000 0.248 35 I C 2.376 178.632 176.117 0.233 0.000 1.117 35 I CA 1.308 62.694 61.300 0.143 0.000 1.404 35 I CB 0.069 38.063 38.000 -0.011 0.000 1.071 35 I HN 0.233 nan 8.210 nan 0.000 0.419 36 T N 0.285 114.956 114.554 0.196 0.000 2.708 36 T HA -0.272 4.068 4.350 -0.016 0.000 0.266 36 T C 1.714 176.302 174.700 -0.187 0.000 1.037 36 T CA 1.887 64.022 62.100 0.058 0.000 1.146 36 T CB -0.285 68.636 68.868 0.089 0.000 0.865 36 T HN 0.503 nan 8.240 nan 0.000 0.435 37 E N 0.583 120.740 120.200 -0.072 0.000 2.085 37 E HA -0.181 4.159 4.350 -0.016 0.000 0.194 37 E C 2.387 178.888 176.600 -0.164 0.000 0.994 37 E CA 1.483 57.818 56.400 -0.108 0.000 0.801 37 E CB -0.223 29.490 29.700 0.022 0.000 0.743 37 E HN 0.390 nan 8.360 nan 0.000 0.453 38 S N -0.695 114.955 115.700 -0.084 0.000 2.343 38 S HA -0.157 4.303 4.470 -0.016 0.000 0.219 38 S C 1.731 176.298 174.600 -0.055 0.000 1.033 38 S CA 1.209 59.328 58.200 -0.135 0.000 1.014 38 S CB -0.540 62.677 63.200 0.029 0.000 0.915 38 S HN 0.390 nan 8.310 nan 0.000 0.435 39 F N 2.017 121.863 119.950 -0.172 0.000 2.192 39 F HA -0.051 4.466 4.527 -0.017 0.000 0.301 39 F C 2.331 177.970 175.800 -0.268 0.000 1.079 39 F CA 1.406 59.297 58.000 -0.183 0.000 1.303 39 F CB -0.341 38.542 39.000 -0.195 0.000 1.024 39 F HN 0.262 nan 8.300 nan 0.000 0.494 40 K N -0.693 119.532 120.400 -0.291 0.000 2.283 40 K HA -0.151 4.159 4.320 -0.016 0.000 0.202 40 K C 1.729 178.225 176.600 -0.174 0.000 1.048 40 K CA 0.890 56.996 56.287 -0.301 0.000 0.948 40 K CB -0.088 32.181 32.500 -0.385 0.000 0.742 40 K HN 0.243 nan 8.250 nan 0.000 0.458 41 Q N -0.538 119.155 119.800 -0.178 0.000 2.356 41 Q HA 0.002 4.332 4.340 -0.016 0.000 0.205 41 Q C 1.170 177.080 176.000 -0.150 0.000 0.901 41 Q CA 0.917 56.627 55.803 -0.155 0.000 0.938 41 Q CB 0.951 29.583 28.738 -0.175 0.000 1.081 41 Q HN 0.352 nan 8.270 nan 0.000 0.517 42 T N -3.955 110.489 114.554 -0.183 0.000 3.228 42 T HA 0.216 4.556 4.350 -0.016 0.000 0.278 42 T C 1.132 175.715 174.700 -0.195 0.000 1.014 42 T CA -0.182 61.797 62.100 -0.201 0.000 0.904 42 T CB 0.549 69.251 68.868 -0.276 0.000 1.110 42 T HN -0.159 nan 8.240 nan 0.000 0.541 43 E N 2.547 122.664 120.200 -0.138 0.000 2.114 43 E HA -0.070 4.271 4.350 -0.016 0.000 0.199 43 E C 2.058 178.609 176.600 -0.081 0.000 1.008 43 E CA 1.881 58.226 56.400 -0.092 0.000 0.810 43 E CB -0.857 28.816 29.700 -0.046 0.000 0.739 43 E HN 0.674 nan 8.360 nan 0.000 0.456 44 G N -0.896 107.858 108.800 -0.075 0.000 3.181 44 G HA2 -0.041 3.910 3.960 -0.016 0.000 0.219 44 G HA3 -0.041 3.910 3.960 -0.016 0.000 0.219 44 G C 0.335 175.199 174.900 -0.060 0.000 1.182 44 G CA -0.226 44.840 45.100 -0.057 0.000 0.791 44 G HN 0.101 nan 8.290 nan 0.000 0.537 45 Q N 0.276 120.025 119.800 -0.086 0.000 2.226 45 Q HA 0.496 4.826 4.340 -0.016 0.000 0.256 45 Q C -2.423 173.536 176.000 -0.069 0.000 0.962 45 Q CA -2.029 53.726 55.803 -0.080 0.000 0.887 45 Q CB 1.966 30.639 28.738 -0.109 0.000 1.282 45 Q HN -0.030 nan 8.270 nan 0.000 0.449 46 P HA 0.079 nan 4.420 nan 0.000 0.272 46 P C -0.554 176.737 177.300 -0.015 0.000 1.223 46 P CA 0.126 63.220 63.100 -0.010 0.000 0.784 46 P CB 0.747 32.455 31.700 0.014 0.000 0.923 47 A N 2.416 125.248 122.820 0.020 0.000 1.927 47 A HA -0.246 4.064 4.320 -0.016 0.000 0.220 47 A C 1.983 179.610 177.584 0.073 0.000 1.185 47 A CA 1.886 53.953 52.037 0.050 0.000 0.639 47 A CB -1.587 17.479 19.000 0.110 0.000 0.820 47 A HN 0.596 nan 8.150 nan 0.000 0.451 48 I N -0.633 119.993 120.570 0.094 0.000 2.286 48 I HA -0.187 3.973 4.170 -0.016 0.000 0.248 48 I C 2.161 178.322 176.117 0.073 0.000 1.115 48 I CA 1.262 62.638 61.300 0.127 0.000 1.392 48 I CB -0.161 37.949 38.000 0.184 0.000 1.065 48 I HN 0.348 nan 8.210 nan 0.000 0.418 49 L N -0.364 120.874 121.223 0.024 0.000 2.131 49 L HA -0.086 4.244 4.340 -0.016 0.000 0.206 49 L C 2.652 179.489 176.870 -0.055 0.000 1.087 49 L CA 0.829 55.661 54.840 -0.015 0.000 0.767 49 L CB -0.447 41.595 42.059 -0.029 0.000 0.917 49 L HN 0.131 nan 8.230 nan 0.000 0.441 50 R N -0.613 119.818 120.500 -0.114 0.000 2.096 50 R HA -0.117 4.213 4.340 -0.016 0.000 0.235 50 R C 2.358 178.605 176.300 -0.089 0.000 1.127 50 R CA 0.826 56.762 56.100 -0.273 0.000 0.968 50 R CB -0.266 29.676 30.300 -0.597 0.000 0.861 50 R HN 0.238 nan 8.270 nan 0.000 0.440 51 R N 0.665 121.203 120.500 0.064 0.000 2.073 51 R HA -0.045 4.285 4.340 -0.016 0.000 0.234 51 R C 2.225 178.597 176.300 0.121 0.000 1.134 51 R CA 1.641 57.854 56.100 0.188 0.000 0.952 51 R CB -0.861 29.560 30.300 0.202 0.000 0.850 51 R HN 0.255 nan 8.270 nan 0.000 0.433 52 A N 1.139 123.996 122.820 0.062 0.000 1.873 52 A HA -0.084 4.226 4.320 -0.016 0.000 0.215 52 A C 2.415 180.006 177.584 0.011 0.000 1.186 52 A CA 1.109 53.161 52.037 0.026 0.000 0.616 52 A CB -0.595 18.403 19.000 -0.002 0.000 0.823 52 A HN 0.203 nan 8.150 nan 0.000 0.442 53 L N -0.822 120.400 121.223 -0.002 0.000 2.141 53 L HA -0.162 4.168 4.340 -0.016 0.000 0.209 53 L C 3.024 179.919 176.870 0.043 0.000 1.094 53 L CA 0.913 55.748 54.840 -0.009 0.000 0.763 53 L CB -0.534 41.491 42.059 -0.058 0.000 0.908 53 L HN 0.444 nan 8.230 nan 0.000 0.437 54 A N 0.089 122.966 122.820 0.095 0.000 1.897 54 A HA -0.184 4.126 4.320 -0.016 0.000 0.215 54 A C 2.197 179.850 177.584 0.114 0.000 1.181 54 A CA 1.335 53.486 52.037 0.189 0.000 0.620 54 A CB -0.611 18.623 19.000 0.390 0.000 0.821 54 A HN 0.296 nan 8.150 nan 0.000 0.443 55 L N 0.264 121.522 121.223 0.058 0.000 2.046 55 L HA -0.150 4.180 4.340 -0.016 0.000 0.208 55 L C 2.291 179.120 176.870 -0.067 0.000 1.077 55 L CA 2.683 57.501 54.840 -0.036 0.000 0.747 55 L CB -0.594 41.422 42.059 -0.072 0.000 0.896 55 L HN 0.491 nan 8.230 nan 0.000 0.432 56 K N -1.741 118.642 120.400 -0.028 0.000 2.057 56 K HA -0.296 4.014 4.320 -0.016 0.000 0.207 56 K C 2.305 178.920 176.600 0.025 0.000 1.049 56 K CA 1.771 58.043 56.287 -0.025 0.000 0.931 56 K CB -0.320 32.176 32.500 -0.006 0.000 0.714 56 K HN 0.497 nan 8.250 nan 0.000 0.440 57 H N 0.501 119.547 119.070 -0.041 0.000 2.389 57 H HA -0.001 4.545 4.556 -0.016 0.000 0.299 57 H C 1.773 177.078 175.328 -0.039 0.000 1.081 57 H CA 1.874 57.903 56.048 -0.032 0.000 1.345 57 H CB -0.009 29.743 29.762 -0.016 0.000 1.393 57 H HN 0.206 nan 8.280 nan 0.000 0.520 58 I N -0.399 120.136 120.570 -0.058 0.000 2.163 58 I HA -0.250 3.911 4.170 -0.016 0.000 0.240 58 I C 2.159 178.201 176.117 -0.125 0.000 1.081 58 I CA 1.001 62.224 61.300 -0.129 0.000 1.353 58 I CB -0.253 37.675 38.000 -0.121 0.000 1.054 58 I HN 0.220 nan 8.210 nan 0.000 0.407 59 L N 0.356 121.502 121.223 -0.128 0.000 2.131 59 L HA -0.209 4.121 4.340 -0.016 0.000 0.210 59 L C 2.320 179.228 176.870 0.063 0.000 1.092 59 L CA 1.459 56.254 54.840 -0.074 0.000 0.759 59 L CB -0.553 41.398 42.059 -0.180 0.000 0.903 59 L HN 0.318 nan 8.230 nan 0.000 0.435 60 E N -0.411 119.771 120.200 -0.030 0.000 2.299 60 E HA -0.063 4.277 4.350 -0.016 0.000 0.193 60 E C 1.135 177.688 176.600 -0.080 0.000 0.998 60 E CA 0.532 56.910 56.400 -0.036 0.000 0.851 60 E CB 0.151 29.825 29.700 -0.043 0.000 0.795 60 E HN 0.533 nan 8.360 nan 0.000 0.492 61 N N 0.222 118.836 118.700 -0.144 0.000 2.166 61 N HA 0.071 4.801 4.740 -0.016 0.000 0.213 61 N C 0.208 175.654 175.510 -0.107 0.000 1.222 61 N CA -0.170 52.783 53.050 -0.161 0.000 0.900 61 N CB 1.024 39.329 38.487 -0.304 0.000 1.055 61 N HN 0.069 nan 8.380 nan 0.000 0.515 62 I N 3.027 123.560 120.570 -0.061 0.000 2.754 62 I HA 0.116 4.276 4.170 -0.016 0.000 0.285 62 I C -2.185 173.941 176.117 0.014 0.000 1.166 62 I CA -1.796 59.493 61.300 -0.018 0.000 1.417 62 I CB 0.429 38.444 38.000 0.024 0.000 1.382 62 I HN -0.106 nan 8.210 nan 0.000 0.588 63 P HA 0.170 nan 4.420 nan 0.000 0.268 63 P C -1.012 176.299 177.300 0.017 0.000 1.205 63 P CA 0.094 63.194 63.100 -0.002 0.000 0.771 63 P CB 0.344 32.047 31.700 0.005 0.000 0.858 64 I N 2.450 122.977 120.570 -0.071 0.000 2.493 64 I HA 0.408 4.568 4.170 -0.016 0.000 0.298 64 I C 0.264 176.320 176.117 -0.101 0.000 0.998 64 I CA -0.089 61.100 61.300 -0.185 0.000 1.137 64 I CB 1.568 39.250 38.000 -0.529 0.000 1.310 64 I HN 0.258 nan 8.210 nan 0.000 0.445 65 T N 6.467 121.033 114.554 0.020 0.000 2.952 65 T HA 0.611 4.951 4.350 -0.016 0.000 0.305 65 T C -0.316 174.505 174.700 0.201 0.000 1.064 65 T CA -0.368 61.785 62.100 0.090 0.000 1.008 65 T CB 1.996 70.931 68.868 0.113 0.000 1.078 65 T HN 0.258 nan 8.240 nan 0.000 0.459 66 I N 3.176 123.829 120.570 0.138 0.000 2.411 66 I HA 0.376 4.536 4.170 -0.016 0.000 0.284 66 I C 0.299 176.478 176.117 0.104 0.000 1.012 66 I CA -0.819 60.580 61.300 0.164 0.000 1.119 66 I CB 1.415 39.506 38.000 0.152 0.000 1.261 66 I HN 0.367 nan 8.210 nan 0.000 0.448 67 R N 3.052 123.609 120.500 0.096 0.000 2.531 67 R HA 0.185 4.515 4.340 -0.016 0.000 0.273 67 R C -0.401 175.931 176.300 0.055 0.000 1.070 67 R CA -0.789 55.349 56.100 0.064 0.000 1.112 67 R CB 0.754 31.085 30.300 0.052 0.000 1.049 67 R HN 0.449 nan 8.270 nan 0.000 0.508 68 D N 1.538 121.963 120.400 0.043 0.000 2.488 68 D HA -0.092 4.538 4.640 -0.016 0.000 0.238 68 D C 0.233 176.555 176.300 0.037 0.000 1.138 68 D CA 0.906 54.930 54.000 0.039 0.000 0.873 68 D CB 0.573 41.392 40.800 0.030 0.000 1.183 68 D HN 0.411 nan 8.370 nan 0.000 0.458 69 Q N 0.057 119.883 119.800 0.044 0.000 2.324 69 Q HA -0.230 4.101 4.340 -0.016 0.000 0.200 69 Q C -0.532 175.498 176.000 0.051 0.000 0.645 69 Q CA 1.082 56.912 55.803 0.045 0.000 1.377 69 Q CB -1.748 27.009 28.738 0.032 0.000 1.486 69 Q HN 0.759 nan 8.270 nan 0.000 0.796 70 E N 0.373 120.604 120.200 0.051 0.000 2.414 70 E HA 0.112 4.452 4.350 -0.016 0.000 0.263 70 E C 1.232 177.882 176.600 0.083 0.000 1.000 70 E CA 0.045 56.472 56.400 0.045 0.000 0.914 70 E CB 0.424 30.148 29.700 0.040 0.000 0.948 70 E HN 0.206 nan 8.360 nan 0.000 0.444 71 L N 3.083 124.352 121.223 0.076 0.000 2.388 71 L HA 0.145 4.475 4.340 -0.016 0.000 0.209 71 L C 0.498 177.484 176.870 0.193 0.000 1.061 71 L CA 0.225 55.163 54.840 0.162 0.000 0.834 71 L CB 0.377 42.483 42.059 0.079 0.000 1.029 71 L HN 0.491 nan 8.230 nan 0.000 0.473 72 I N 1.784 122.384 120.570 0.049 0.000 2.321 72 I HA 0.247 4.408 4.170 -0.016 0.000 0.291 72 I C 0.042 176.104 176.117 -0.091 0.000 0.998 72 I CA -0.362 60.934 61.300 -0.008 0.000 1.227 72 I CB 1.444 39.364 38.000 -0.132 0.000 1.368 72 I HN -0.215 nan 8.210 nan 0.000 0.466 73 V N 2.628 122.494 119.914 -0.079 0.000 2.994 73 V HA 1.098 5.208 4.120 -0.016 0.000 0.318 73 V C 0.103 176.037 176.094 -0.267 0.000 1.085 73 V CA -0.682 61.575 62.300 -0.073 0.000 0.998 73 V CB 1.652 33.539 31.823 0.107 0.000 1.063 73 V HN 1.062 nan 8.190 nan 0.000 0.447 74 G N 1.224 109.934 108.800 -0.152 0.000 2.952 74 G HA2 0.332 4.282 3.960 -0.016 0.000 0.431 74 G HA3 0.332 4.282 3.960 -0.016 0.000 0.431 74 G C -0.762 174.363 174.900 0.376 0.000 1.325 74 G CA -0.232 44.760 45.100 -0.180 0.000 1.146 74 G HN 1.198 nan 8.290 nan 0.000 0.581 75 S N 1.739 117.719 115.700 0.467 0.000 2.594 75 S HA 0.505 4.965 4.470 -0.016 0.000 0.296 75 S C 1.385 176.210 174.600 0.375 0.000 1.124 75 S CA -0.880 57.555 58.200 0.392 0.000 1.011 75 S CB 1.702 65.078 63.200 0.294 0.000 1.016 75 S HN 0.577 nan 8.310 nan 0.000 0.485 76 L N 1.751 123.156 121.223 0.303 0.000 2.291 76 L HA 0.065 4.395 4.340 -0.016 0.000 0.214 76 L C 1.185 178.166 176.870 0.185 0.000 1.120 76 L CA 0.659 55.639 54.840 0.233 0.000 0.799 76 L CB -0.468 41.708 42.059 0.196 0.000 0.925 76 L HN 0.699 nan 8.230 nan 0.000 0.446 77 T N -5.020 109.640 114.554 0.176 0.000 2.906 77 T HA 0.330 4.671 4.350 -0.016 0.000 0.295 77 T C 0.406 175.177 174.700 0.118 0.000 1.061 77 T CA -0.935 61.243 62.100 0.131 0.000 1.000 77 T CB 2.554 71.495 68.868 0.121 0.000 1.103 77 T HN -0.120 nan 8.240 nan 0.000 0.486 78 K N 0.266 120.718 120.400 0.087 0.000 1.985 78 K HA -0.030 4.280 4.320 -0.016 0.000 0.210 78 K C 0.847 177.486 176.600 0.065 0.000 1.047 78 K CA 1.233 57.562 56.287 0.071 0.000 0.932 78 K CB -0.130 32.399 32.500 0.048 0.000 0.716 78 K HN 0.687 nan 8.250 nan 0.000 0.439 79 E N 1.664 121.899 120.200 0.058 0.000 2.360 79 E HA 0.071 4.411 4.350 -0.016 0.000 0.269 79 E C -2.567 174.062 176.600 0.048 0.000 1.022 79 E CA -2.319 54.108 56.400 0.045 0.000 0.887 79 E CB 0.805 30.528 29.700 0.038 0.000 0.990 79 E HN -0.136 nan 8.360 nan 0.000 0.426 80 P HA 0.067 nan 4.420 nan 0.000 0.272 80 P C -0.845 176.455 177.300 -0.000 0.000 1.230 80 P CA 0.067 63.184 63.100 0.028 0.000 0.788 80 P CB 0.390 32.098 31.700 0.014 0.000 0.949 81 R N -0.418 120.084 120.500 0.003 0.000 3.405 81 R HA -0.165 4.165 4.340 -0.016 0.000 0.258 81 R C -0.657 175.603 176.300 -0.066 0.000 1.030 81 R CA 0.470 56.541 56.100 -0.049 0.000 0.691 81 R CB -1.662 28.561 30.300 -0.129 0.000 1.093 81 R HN 0.497 nan 8.270 nan 0.000 0.448 82 S N -1.408 114.318 115.700 0.044 0.000 2.798 82 S HA 0.663 5.123 4.470 -0.016 0.000 0.312 82 S C -0.693 174.029 174.600 0.202 0.000 1.122 82 S CA -0.420 57.854 58.200 0.123 0.000 0.949 82 S CB 2.122 65.389 63.200 0.111 0.000 1.235 82 S HN 0.298 nan 8.310 nan 0.000 0.552 83 S N 0.383 116.235 115.700 0.255 0.000 2.536 83 S HA 0.471 4.931 4.470 -0.016 0.000 0.287 83 S C -1.146 173.558 174.600 0.173 0.000 1.101 83 S CA -0.700 57.635 58.200 0.224 0.000 0.950 83 S CB 0.957 64.284 63.200 0.213 0.000 1.056 83 S HN 0.529 nan 8.310 nan 0.000 0.481 84 Q N 1.354 121.272 119.800 0.197 0.000 2.189 84 Q HA 0.509 4.840 4.340 -0.016 0.000 0.193 84 Q C -0.491 175.582 176.000 0.122 0.000 1.034 84 Q CA -0.523 55.329 55.803 0.083 0.000 1.062 84 Q CB 1.013 29.727 28.738 -0.041 0.000 1.118 84 Q HN 0.585 nan 8.270 nan 0.000 0.569 85 V N 1.061 120.926 119.914 -0.081 0.000 2.555 85 V HA 0.342 4.452 4.120 -0.016 0.000 0.302 85 V C -0.920 175.025 176.094 -0.248 0.000 1.038 85 V CA -0.489 61.801 62.300 -0.017 0.000 0.887 85 V CB 1.110 32.870 31.823 -0.104 0.000 0.991 85 V HN 0.505 nan 8.190 nan 0.000 0.434 86 F N 5.632 125.551 119.950 -0.051 0.000 2.371 86 F HA 0.386 4.903 4.527 -0.016 0.000 0.343 86 F C -1.288 174.309 175.800 -0.337 0.000 1.150 86 F CA -2.369 55.528 58.000 -0.171 0.000 1.220 86 F CB 1.143 40.188 39.000 0.076 0.000 1.475 86 F HN 0.374 nan 8.300 nan 0.000 0.521 87 P HA -0.210 nan 4.420 nan 0.000 0.225 87 P C 1.091 177.727 177.300 -1.107 0.000 1.148 87 P CA 1.294 63.970 63.100 -0.706 0.000 0.779 87 P CB 0.234 31.389 31.700 -0.907 0.000 0.780 88 E N -0.052 119.310 120.200 -1.396 0.000 2.268 88 E HA -0.144 4.196 4.350 -0.016 0.000 0.195 88 E C 1.521 177.712 176.600 -0.681 0.000 0.995 88 E CA 0.918 56.501 56.400 -1.362 0.000 0.836 88 E CB -1.037 27.916 29.700 -1.245 0.000 0.763 88 E HN 0.338 nan 8.360 nan 0.000 0.491 89 F N 1.609 121.452 119.950 -0.178 0.000 2.274 89 F HA 0.099 4.616 4.527 -0.017 0.000 0.288 89 F C 1.389 177.149 175.800 -0.066 0.000 1.069 89 F CA 0.409 58.361 58.000 -0.080 0.000 1.343 89 F CB 0.378 39.398 39.000 0.034 0.000 1.089 89 F HN 0.013 nan 8.300 nan 0.000 0.517 90 S N -0.399 115.430 115.700 0.215 0.000 2.595 90 S HA 0.395 4.855 4.470 -0.016 0.000 0.270 90 S C -0.871 173.880 174.600 0.252 0.000 1.145 90 S CA -0.314 58.046 58.200 0.268 0.000 0.825 90 S CB 1.582 65.084 63.200 0.503 0.000 1.107 90 S HN 0.344 nan 8.310 nan 0.000 0.461 91 N N -0.366 118.424 118.700 0.148 0.000 1.839 91 N HA 0.112 4.842 4.740 -0.016 0.000 0.232 91 N C 0.625 175.967 175.510 -0.279 0.000 1.425 91 N CA -0.339 52.659 53.050 -0.087 0.000 0.743 91 N CB -0.230 38.324 38.487 0.112 0.000 1.044 91 N HN 0.468 nan 8.380 nan 0.000 0.519 92 K N 0.878 121.219 120.400 -0.098 0.000 2.147 92 K HA -0.038 4.273 4.320 -0.016 0.000 0.205 92 K C 1.178 177.667 176.600 -0.185 0.000 1.049 92 K CA 1.791 57.972 56.287 -0.176 0.000 0.936 92 K CB -0.233 32.273 32.500 0.011 0.000 0.722 92 K HN 0.476 nan 8.250 nan 0.000 0.446 93 W N 1.099 122.395 121.300 -0.007 0.000 2.363 93 W HA -0.153 4.497 4.660 -0.016 0.000 0.296 93 W C 1.396 177.869 176.519 -0.077 0.000 1.212 93 W CA 0.465 57.789 57.345 -0.035 0.000 1.260 93 W CB -0.926 28.509 29.460 -0.042 0.000 1.131 93 W HN 0.012 nan 8.180 nan 0.000 0.530 94 L N 1.338 121.806 121.223 -1.258 0.000 2.056 94 L HA -0.246 4.084 4.340 -0.016 0.000 0.207 94 L C 3.103 179.639 176.870 -0.558 0.000 1.078 94 L CA 2.247 56.396 54.840 -1.151 0.000 0.749 94 L CB -0.615 40.698 42.059 -1.243 0.000 0.901 94 L HN 0.125 nan 8.230 nan 0.000 0.433 95 Q N -0.567 118.706 119.800 -0.878 0.000 2.170 95 Q HA -0.285 4.045 4.340 -0.016 0.000 0.203 95 Q C 1.780 177.519 176.000 -0.436 0.000 0.976 95 Q CA 2.017 57.179 55.803 -1.069 0.000 0.858 95 Q CB -0.085 27.621 28.738 -1.721 0.000 0.907 95 Q HN 0.543 nan 8.270 nan 0.000 0.433 96 D N -0.266 119.959 120.400 -0.292 0.000 2.213 96 D HA -0.111 4.519 4.640 -0.016 0.000 0.205 96 D C 0.859 177.132 176.300 -0.045 0.000 0.961 96 D CA 0.755 54.684 54.000 -0.119 0.000 0.853 96 D CB 0.259 41.032 40.800 -0.045 0.000 0.967 96 D HN 0.400 nan 8.370 nan 0.000 0.496 97 E N 0.068 120.254 120.200 -0.023 0.000 2.472 97 E HA 0.086 4.426 4.350 -0.016 0.000 0.196 97 E C 2.208 178.828 176.600 0.033 0.000 1.033 97 E CA -0.328 56.098 56.400 0.042 0.000 0.886 97 E CB 0.504 30.288 29.700 0.140 0.000 0.944 97 E HN 0.269 nan 8.360 nan 0.000 0.492 98 L N 1.456 122.676 121.223 -0.006 0.000 2.082 98 L HA -0.297 4.033 4.340 -0.016 0.000 0.223 98 L C 1.439 178.337 176.870 0.048 0.000 1.086 98 L CA 1.386 56.242 54.840 0.027 0.000 0.793 98 L CB -0.378 41.703 42.059 0.037 0.000 0.896 98 L HN 0.192 nan 8.230 nan 0.000 0.441 99 D N -0.805 119.618 120.400 0.039 0.000 2.340 99 D HA -0.023 4.607 4.640 -0.016 0.000 0.220 99 D C 1.514 177.844 176.300 0.050 0.000 1.039 99 D CA 0.447 54.473 54.000 0.043 0.000 0.866 99 D CB 0.192 41.012 40.800 0.032 0.000 0.913 99 D HN 0.571 nan 8.370 nan 0.000 0.523 100 R N -0.182 120.353 120.500 0.058 0.000 2.565 100 R HA 0.280 4.610 4.340 -0.016 0.000 0.347 100 R C 1.426 177.779 176.300 0.088 0.000 1.010 100 R CA -0.144 55.994 56.100 0.063 0.000 1.126 100 R CB -0.449 29.881 30.300 0.050 0.000 1.331 100 R HN -0.002 nan 8.270 nan 0.000 0.552 101 L N 1.571 122.863 121.223 0.114 0.000 2.141 101 L HA -0.107 4.223 4.340 -0.016 0.000 0.209 101 L C 1.059 178.035 176.870 0.177 0.000 1.094 101 L CA 1.349 56.291 54.840 0.169 0.000 0.763 101 L CB -0.375 41.804 42.059 0.200 0.000 0.908 101 L HN 0.415 nan 8.230 nan 0.000 0.437 102 N N -0.577 118.202 118.700 0.131 0.000 2.314 102 N HA -0.071 4.659 4.740 -0.016 0.000 0.200 102 N C 0.839 176.395 175.510 0.077 0.000 1.135 102 N CA 0.305 53.420 53.050 0.108 0.000 0.835 102 N CB -0.042 38.498 38.487 0.088 0.000 0.989 102 N HN 0.235 nan 8.380 nan 0.000 0.478 103 K N -0.208 120.235 120.400 0.073 0.000 2.387 103 K HA 0.219 4.529 4.320 -0.016 0.000 0.203 103 K C -0.083 176.543 176.600 0.043 0.000 1.030 103 K CA -0.391 55.927 56.287 0.050 0.000 1.099 103 K CB 0.798 33.324 32.500 0.043 0.000 0.863 103 K HN 0.098 nan 8.250 nan 0.000 0.529 104 R N 0.669 121.203 120.500 0.057 0.000 2.643 104 R HA 0.051 4.381 4.340 -0.016 0.000 0.270 104 R C 0.885 177.191 176.300 0.010 0.000 1.061 104 R CA 0.129 56.252 56.100 0.039 0.000 1.107 104 R CB 0.437 30.778 30.300 0.067 0.000 0.999 104 R HN -0.030 nan 8.270 nan 0.000 0.460 105 T N 0.217 114.763 114.554 -0.013 0.000 2.904 105 T HA -0.000 4.340 4.350 -0.016 0.000 0.267 105 T C 0.882 175.544 174.700 -0.063 0.000 1.059 105 T CA 1.277 63.356 62.100 -0.033 0.000 1.137 105 T CB 0.167 69.010 68.868 -0.041 0.000 0.879 105 T HN 0.794 nan 8.240 nan 0.000 0.467 106 G N -0.347 108.406 108.800 -0.080 0.000 2.672 106 G HA2 0.486 4.437 3.960 -0.016 0.000 0.292 106 G HA3 0.486 4.437 3.960 -0.016 0.000 0.292 106 G C -1.407 173.397 174.900 -0.161 0.000 1.375 106 G CA -0.753 44.259 45.100 -0.147 0.000 0.890 106 G HN 0.048 nan 8.290 nan 0.000 0.476 107 D N -1.299 118.878 120.400 -0.372 0.000 2.708 107 D HA -0.082 4.548 4.640 -0.016 0.000 0.236 107 D C 0.846 177.193 176.300 0.078 0.000 1.146 107 D CA 1.171 54.904 54.000 -0.446 0.000 0.662 107 D CB -0.947 39.745 40.800 -0.180 0.000 1.059 107 D HN 0.853 nan 8.370 nan 0.000 0.428 108 A N 0.063 122.919 122.820 0.060 0.000 2.425 108 A HA 0.560 4.870 4.320 -0.016 0.000 0.249 108 A C -0.090 177.542 177.584 0.080 0.000 1.084 108 A CA 0.131 52.256 52.037 0.148 0.000 0.781 108 A CB 0.419 19.468 19.000 0.081 0.000 1.019 108 A HN 0.181 nan 8.150 nan 0.000 0.490 109 F N 0.597 120.647 119.950 0.166 0.000 2.551 109 F HA 0.405 4.922 4.527 -0.016 0.000 0.316 109 F C 0.394 176.250 175.800 0.094 0.000 1.089 109 F CA -0.435 57.647 58.000 0.136 0.000 0.915 109 F CB 2.133 41.224 39.000 0.151 0.000 1.186 109 F HN 0.492 nan 8.300 nan 0.000 0.456 110 Q N 2.887 122.821 119.800 0.224 0.000 2.193 110 Q HA 0.662 4.992 4.340 -0.016 0.000 0.246 110 Q C -0.831 175.267 176.000 0.163 0.000 0.959 110 Q CA -0.724 55.169 55.803 0.149 0.000 0.904 110 Q CB 2.816 31.605 28.738 0.086 0.000 1.238 110 Q HN 0.804 nan 8.270 nan 0.000 0.469 111 I N 0.035 120.672 120.570 0.113 0.000 2.724 111 I HA 0.101 4.261 4.170 -0.016 0.000 0.284 111 I C -0.545 175.610 176.117 0.063 0.000 1.388 111 I CA -0.217 61.138 61.300 0.091 0.000 1.081 111 I CB 1.380 39.436 38.000 0.093 0.000 1.368 111 I HN 0.744 nan 8.210 nan 0.000 0.429 112 S N 5.356 121.085 115.700 0.049 0.000 2.576 112 S HA 0.184 4.644 4.470 -0.016 0.000 0.272 112 S C 0.915 175.533 174.600 0.031 0.000 1.352 112 S CA -0.232 57.989 58.200 0.036 0.000 1.021 112 S CB 1.254 64.470 63.200 0.027 0.000 0.887 112 S HN 0.704 nan 8.310 nan 0.000 0.542 113 E N 1.041 121.257 120.200 0.027 0.000 2.153 113 E HA -0.161 4.179 4.350 -0.016 0.000 0.194 113 E C 1.891 178.501 176.600 0.017 0.000 0.988 113 E CA 1.448 57.862 56.400 0.024 0.000 0.811 113 E CB -0.405 29.308 29.700 0.022 0.000 0.746 113 E HN 0.961 nan 8.360 nan 0.000 0.466 114 E N 0.585 120.792 120.200 0.012 0.000 2.077 114 E HA -0.134 4.206 4.350 -0.016 0.000 0.193 114 E C 2.005 178.601 176.600 -0.006 0.000 0.989 114 E CA 1.407 57.809 56.400 0.003 0.000 0.800 114 E CB 0.096 29.796 29.700 0.001 0.000 0.746 114 E HN -0.014 nan 8.360 nan 0.000 0.452 115 S N 0.537 116.235 115.700 -0.003 0.000 2.368 115 S HA -0.144 4.317 4.470 -0.016 0.000 0.225 115 S C 1.741 176.328 174.600 -0.023 0.000 1.030 115 S CA 1.323 59.513 58.200 -0.017 0.000 0.999 115 S CB -0.158 63.039 63.200 -0.004 0.000 0.844 115 S HN 0.262 nan 8.310 nan 0.000 0.459 116 K N 0.872 121.277 120.400 0.009 0.000 2.032 116 K HA -0.167 4.144 4.320 -0.016 0.000 0.209 116 K C 2.255 178.868 176.600 0.021 0.000 1.048 116 K CA 1.485 57.792 56.287 0.034 0.000 0.927 116 K CB -0.203 32.329 32.500 0.052 0.000 0.712 116 K HN 0.170 nan 8.250 nan 0.000 0.441 117 E N 1.636 121.842 120.200 0.010 0.000 2.077 117 E HA -0.163 4.177 4.350 -0.016 0.000 0.193 117 E C 1.488 178.073 176.600 -0.026 0.000 0.989 117 E CA 1.639 58.041 56.400 0.004 0.000 0.800 117 E CB 0.074 29.776 29.700 0.003 0.000 0.746 117 E HN 0.155 nan 8.360 nan 0.000 0.452 118 K N -0.254 120.116 120.400 -0.049 0.000 2.283 118 K HA -0.003 4.307 4.320 -0.016 0.000 0.202 118 K C 1.939 178.448 176.600 -0.151 0.000 1.048 118 K CA 0.706 56.946 56.287 -0.078 0.000 0.948 118 K CB -0.024 32.434 32.500 -0.070 0.000 0.742 118 K HN 0.228 nan 8.250 nan 0.000 0.458 119 L N 0.708 121.800 121.223 -0.219 0.000 2.478 119 L HA -0.075 4.255 4.340 -0.016 0.000 0.223 119 L C 1.895 178.384 176.870 -0.636 0.000 1.140 119 L CA 0.639 55.164 54.840 -0.525 0.000 0.842 119 L CB -0.179 41.489 42.059 -0.652 0.000 0.953 119 L HN 0.113 nan 8.230 nan 0.000 0.452 120 K N 0.326 120.614 120.400 -0.186 0.000 1.991 120 K HA -0.262 4.049 4.320 -0.016 0.000 0.212 120 K C 1.727 178.333 176.600 0.010 0.000 1.049 120 K CA 2.056 58.363 56.287 0.033 0.000 0.932 120 K CB -0.265 32.276 32.500 0.069 0.000 0.717 120 K HN 0.138 nan 8.250 nan 0.000 0.441 121 D N 0.654 121.036 120.400 -0.030 0.000 2.149 121 D HA -0.143 4.488 4.640 -0.016 0.000 0.198 121 D C 1.740 178.061 176.300 0.035 0.000 0.990 121 D CA 0.909 54.914 54.000 0.008 0.000 0.839 121 D CB 0.048 40.839 40.800 -0.015 0.000 0.948 121 D HN -0.058 nan 8.370 nan 0.000 0.460 122 V N -0.039 119.835 119.914 -0.066 0.000 2.255 122 V HA -0.247 3.863 4.120 -0.016 0.000 0.247 122 V C 2.349 178.548 176.094 0.175 0.000 1.051 122 V CA 1.802 64.118 62.300 0.026 0.000 1.018 122 V CB -0.835 30.849 31.823 -0.232 0.000 0.641 122 V HN 0.260 nan 8.190 nan 0.000 0.445 123 F N 0.235 120.260 119.950 0.126 0.000 2.161 123 F HA -0.216 4.301 4.527 -0.017 0.000 0.300 123 F C 2.586 178.447 175.800 0.102 0.000 1.089 123 F CA 1.764 59.817 58.000 0.089 0.000 1.282 123 F CB -0.192 38.819 39.000 0.018 0.000 1.010 123 F HN 0.198 nan 8.300 nan 0.000 0.485 124 E N -0.134 120.222 120.200 0.261 0.000 2.047 124 E HA -0.274 4.066 4.350 -0.016 0.000 0.191 124 E C 2.102 178.770 176.600 0.112 0.000 0.987 124 E CA 1.284 57.779 56.400 0.159 0.000 0.799 124 E CB -0.350 29.422 29.700 0.120 0.000 0.752 124 E HN 0.479 nan 8.360 nan 0.000 0.449 125 Y N -0.444 119.862 120.300 0.011 0.000 2.145 125 Y HA -0.191 4.349 4.550 -0.016 0.000 0.286 125 Y C 1.305 177.095 175.900 -0.183 0.000 1.145 125 Y CA 1.785 59.805 58.100 -0.133 0.000 1.148 125 Y CB -0.498 37.802 38.460 -0.267 0.000 0.981 125 Y HN 0.121 nan 8.280 nan 0.000 0.507 126 W N 1.215 122.427 121.300 -0.147 0.000 2.961 126 W HA 0.001 4.651 4.660 -0.017 0.000 0.240 126 W C 0.495 176.917 176.519 -0.162 0.000 1.305 126 W CA 0.358 57.572 57.345 -0.219 0.000 1.465 126 W CB -0.857 28.569 29.460 -0.057 0.000 1.135 126 W HN 0.025 nan 8.180 nan 0.000 0.688 127 N N 0.899 119.612 118.700 0.022 0.000 2.417 127 N HA 0.143 4.873 4.740 -0.016 0.000 0.272 127 N C 1.192 176.688 175.510 -0.023 0.000 1.304 127 N CA 1.779 54.844 53.050 0.025 0.000 0.906 127 N CB 0.299 38.793 38.487 0.011 0.000 1.135 127 N HN 0.243 nan 8.380 nan 0.000 0.483 128 G N 3.328 112.140 108.800 0.020 0.000 2.184 128 G HA2 -0.319 3.631 3.960 -0.016 0.000 0.264 128 G HA3 -0.319 3.631 3.960 -0.016 0.000 0.264 128 G C 0.623 175.525 174.900 0.003 0.000 0.975 128 G CA 0.628 45.731 45.100 0.004 0.000 0.642 128 G HN 0.651 nan 8.290 nan 0.000 0.536 129 K N 0.763 121.177 120.400 0.025 0.000 2.399 129 K HA 0.222 4.532 4.320 -0.016 0.000 0.204 129 K C 1.265 178.002 176.600 0.228 0.000 1.023 129 K CA 0.620 56.945 56.287 0.063 0.000 1.127 129 K CB 0.633 33.061 32.500 -0.120 0.000 0.856 129 K HN 0.569 nan 8.250 nan 0.000 0.514 130 T N -1.853 112.804 114.554 0.172 0.000 2.881 130 T HA 0.062 4.402 4.350 -0.016 0.000 0.278 130 T C 1.668 176.390 174.700 0.037 0.000 0.982 130 T CA -0.364 61.799 62.100 0.104 0.000 0.989 130 T CB 1.434 70.324 68.868 0.037 0.000 1.058 130 T HN 0.115 nan 8.240 nan 0.000 0.529 131 T N -1.118 113.431 114.554 -0.008 0.000 2.857 131 T HA -0.115 4.225 4.350 -0.016 0.000 0.266 131 T C 2.291 176.899 174.700 -0.153 0.000 1.048 131 T CA 1.247 63.304 62.100 -0.071 0.000 1.139 131 T CB -1.084 67.662 68.868 -0.204 0.000 0.874 131 T HN 0.780 nan 8.240 nan 0.000 0.455 132 S N 2.287 117.820 115.700 -0.278 0.000 2.370 132 S HA -0.197 4.263 4.470 -0.016 0.000 0.226 132 S C 1.968 176.399 174.600 -0.283 0.000 1.033 132 S CA 1.348 59.153 58.200 -0.659 0.000 1.011 132 S CB -0.668 61.942 63.200 -0.983 0.000 0.852 132 S HN 0.705 nan 8.310 nan 0.000 0.457 133 E N 0.770 120.910 120.200 -0.099 0.000 2.152 133 E HA 0.022 4.362 4.350 -0.016 0.000 0.192 133 E C 2.017 178.626 176.600 0.015 0.000 0.983 133 E CA 0.924 57.328 56.400 0.006 0.000 0.818 133 E CB -0.265 29.447 29.700 0.021 0.000 0.758 133 E HN 0.453 nan 8.360 nan 0.000 0.467 134 L N 0.860 122.084 121.223 0.002 0.000 2.109 134 L HA -0.001 4.329 4.340 -0.016 0.000 0.207 134 L C 2.159 179.065 176.870 0.059 0.000 1.086 134 L CA 1.665 56.495 54.840 -0.016 0.000 0.760 134 L CB -0.547 41.526 42.059 0.022 0.000 0.910 134 L HN 0.029 nan 8.230 nan 0.000 0.437 135 A N -1.139 121.765 122.820 0.140 0.000 1.865 135 A HA -0.244 4.067 4.320 -0.016 0.000 0.217 135 A C 2.284 180.035 177.584 0.278 0.000 1.191 135 A CA 2.537 54.735 52.037 0.268 0.000 0.623 135 A CB -1.367 17.788 19.000 0.258 0.000 0.826 135 A HN 0.494 nan 8.150 nan 0.000 0.444 136 T N 0.121 114.831 114.554 0.260 0.000 2.720 136 T HA -0.129 4.211 4.350 -0.016 0.000 0.268 136 T C 2.230 177.009 174.700 0.131 0.000 1.037 136 T CA 1.724 63.953 62.100 0.215 0.000 1.144 136 T CB -0.354 68.637 68.868 0.206 0.000 0.864 136 T HN 0.491 nan 8.240 nan 0.000 0.444 137 S N 0.119 115.856 115.700 0.061 0.000 2.383 137 S HA -0.077 4.383 4.470 -0.016 0.000 0.229 137 S C 1.688 176.284 174.600 -0.007 0.000 1.030 137 S CA 1.046 59.230 58.200 -0.027 0.000 1.002 137 S CB -0.451 62.659 63.200 -0.149 0.000 0.829 137 S HN 0.618 nan 8.310 nan 0.000 0.467 138 Y N 0.711 121.061 120.300 0.083 0.000 2.439 138 Y HA 0.150 4.690 4.550 -0.016 0.000 0.292 138 Y C 1.126 177.075 175.900 0.082 0.000 1.130 138 Y CA -0.030 58.117 58.100 0.078 0.000 1.254 138 Y CB -0.066 38.445 38.460 0.085 0.000 1.000 138 Y HN 0.189 nan 8.280 nan 0.000 0.554 139 M N 0.640 120.388 119.600 0.246 0.000 2.238 139 M HA 0.062 4.532 4.480 -0.016 0.000 0.347 139 M C 0.756 177.139 176.300 0.138 0.000 1.173 139 M CA -0.067 55.343 55.300 0.183 0.000 1.147 139 M CB 0.793 33.493 32.600 0.166 0.000 1.547 139 M HN 0.105 nan 8.290 nan 0.000 0.455 140 T N -1.508 113.121 114.554 0.126 0.000 2.788 140 T HA 0.124 4.464 4.350 -0.016 0.000 0.287 140 T C 0.838 175.583 174.700 0.075 0.000 1.007 140 T CA -0.639 61.520 62.100 0.099 0.000 1.005 140 T CB 1.010 69.941 68.868 0.105 0.000 1.012 140 T HN 0.720 nan 8.240 nan 0.000 0.530 141 E N 0.110 120.344 120.200 0.056 0.000 2.072 141 E HA -0.131 4.209 4.350 -0.016 0.000 0.191 141 E C 2.067 178.675 176.600 0.013 0.000 0.985 141 E CA 1.736 58.157 56.400 0.035 0.000 0.801 141 E CB -0.385 29.333 29.700 0.031 0.000 0.750 141 E HN 0.889 nan 8.360 nan 0.000 0.452 142 E N -0.931 119.278 120.200 0.015 0.000 2.085 142 E HA -0.186 4.154 4.350 -0.016 0.000 0.194 142 E C 1.681 178.161 176.600 -0.199 0.000 0.994 142 E CA 1.796 58.168 56.400 -0.047 0.000 0.801 142 E CB -0.135 29.582 29.700 0.028 0.000 0.743 142 E HN 0.243 nan 8.360 nan 0.000 0.453 143 T N 0.345 114.846 114.554 -0.089 0.000 2.777 143 T HA -0.092 4.248 4.350 -0.016 0.000 0.266 143 T C 1.775 176.473 174.700 -0.003 0.000 1.040 143 T CA 1.232 63.310 62.100 -0.038 0.000 1.141 143 T CB -0.172 68.814 68.868 0.198 0.000 0.868 143 T HN 0.193 nan 8.240 nan 0.000 0.444 144 R N 0.925 121.433 120.500 0.013 0.000 2.091 144 R HA -0.098 4.232 4.340 -0.016 0.000 0.238 144 R C 2.514 178.795 176.300 -0.032 0.000 1.136 144 R CA 1.495 57.599 56.100 0.006 0.000 0.959 144 R CB -0.173 30.137 30.300 0.018 0.000 0.856 144 R HN 0.539 nan 8.270 nan 0.000 0.437 145 E N 0.188 120.362 120.200 -0.043 0.000 2.072 145 E HA -0.118 4.223 4.350 -0.016 0.000 0.190 145 E C 2.080 178.649 176.600 -0.052 0.000 0.982 145 E CA 0.928 57.301 56.400 -0.045 0.000 0.803 145 E CB -0.082 29.599 29.700 -0.030 0.000 0.755 145 E HN 0.357 nan 8.360 nan 0.000 0.453 146 A N 0.994 123.773 122.820 -0.069 0.000 1.978 146 A HA -0.150 4.161 4.320 -0.016 0.000 0.220 146 A C 2.394 179.889 177.584 -0.147 0.000 1.170 146 A CA 1.087 53.142 52.037 0.031 0.000 0.636 146 A CB -0.509 18.442 19.000 -0.082 0.000 0.810 146 A HN 0.124 nan 8.150 nan 0.000 0.448 147 V N 0.688 120.494 119.914 -0.180 0.000 2.809 147 V HA -0.102 4.008 4.120 -0.016 0.000 0.256 147 V C 0.834 176.698 176.094 -0.383 0.000 1.080 147 V CA 1.531 63.591 62.300 -0.400 0.000 1.102 147 V CB -0.635 31.143 31.823 -0.074 0.000 0.705 147 V HN 0.580 nan 8.190 nan 0.000 0.475 148 N N -1.547 117.015 118.700 -0.230 0.000 2.401 148 N HA 0.133 4.864 4.740 -0.016 0.000 0.264 148 N C 0.564 175.975 175.510 -0.165 0.000 1.238 148 N CA 0.062 53.011 53.050 -0.169 0.000 0.889 148 N CB 0.673 39.105 38.487 -0.092 0.000 1.196 148 N HN 0.353 nan 8.380 nan 0.000 0.511 149 C N 0.084 119.250 119.300 -0.223 0.000 2.791 149 C HA 0.120 4.570 4.460 -0.016 0.000 0.270 149 C C 0.457 175.271 174.990 -0.294 0.000 1.257 149 C CA -0.323 58.574 59.018 -0.202 0.000 1.699 149 C CB -0.702 26.961 27.740 -0.127 0.000 1.904 149 C HN 0.398 nan 8.230 nan 0.000 0.603 150 D N -0.313 119.890 120.400 -0.327 0.000 2.835 150 D HA -0.118 4.512 4.640 -0.016 0.000 0.230 150 D C 0.712 176.688 176.300 -0.540 0.000 1.130 150 D CA 0.803 54.586 54.000 -0.363 0.000 0.738 150 D CB -1.264 39.353 40.800 -0.305 0.000 1.090 150 D HN 0.346 nan 8.370 nan 0.000 0.433 151 V N -1.191 118.345 119.914 -0.629 0.000 2.908 151 V HA 0.243 4.353 4.120 -0.016 0.000 0.240 151 V C 0.593 176.267 176.094 -0.700 0.000 1.117 151 V CA 1.351 63.177 62.300 -0.791 0.000 1.133 151 V CB 0.112 31.352 31.823 -0.972 0.000 0.857 151 V HN 0.298 nan 8.190 nan 0.000 0.478 152 F N -1.780 117.938 119.950 -0.388 0.000 2.745 152 F HA 0.787 5.305 4.527 -0.016 0.000 0.316 152 F C -0.857 175.004 175.800 0.102 0.000 1.155 152 F CA -0.806 57.133 58.000 -0.103 0.000 0.937 152 F CB 1.671 40.703 39.000 0.054 0.000 1.361 152 F HN -0.248 nan 8.300 nan 0.000 0.472 153 T N 0.697 115.595 114.554 0.573 0.000 2.971 153 T HA 0.535 4.876 4.350 -0.016 0.000 0.304 153 T C -0.817 174.142 174.700 0.431 0.000 1.038 153 T CA -0.115 62.226 62.100 0.401 0.000 1.007 153 T CB 1.356 70.428 68.868 0.341 0.000 1.055 153 T HN 1.526 nan 8.240 nan 0.000 0.451 154 V N 2.796 122.916 119.914 0.344 0.000 2.940 154 V HA 0.558 4.668 4.120 -0.016 0.000 0.366 154 V C 1.588 177.784 176.094 0.169 0.000 1.353 154 V CA 0.539 62.973 62.300 0.224 0.000 1.232 154 V CB -0.039 31.936 31.823 0.254 0.000 1.278 154 V HN 0.872 nan 8.190 nan 0.000 0.546 155 G N 1.134 110.086 108.800 0.254 0.000 2.448 155 G HA2 -0.215 3.735 3.960 -0.016 0.000 0.218 155 G HA3 -0.215 3.735 3.960 -0.016 0.000 0.218 155 G C 1.259 176.397 174.900 0.396 0.000 1.135 155 G CA 0.887 46.220 45.100 0.389 0.000 0.784 155 G HN 0.529 nan 8.290 nan 0.000 0.543 156 N N 0.743 119.586 118.700 0.238 0.000 2.027 156 N HA -0.202 4.529 4.740 -0.016 0.000 0.200 156 N C 1.732 177.257 175.510 0.024 0.000 1.042 156 N CA 1.605 54.708 53.050 0.087 0.000 0.871 156 N CB -0.603 37.749 38.487 -0.224 0.000 1.063 156 N HN 0.550 nan 8.380 nan 0.000 0.438 157 Y N -1.884 118.320 120.300 -0.161 0.000 2.529 157 Y HA -0.038 4.502 4.550 -0.017 0.000 0.290 157 Y C 1.522 177.433 175.900 0.018 0.000 1.177 157 Y CA -0.327 57.609 58.100 -0.273 0.000 1.305 157 Y CB 0.008 38.058 38.460 -0.682 0.000 1.047 157 Y HN 0.187 nan 8.280 nan 0.000 0.522 158 Y N -0.555 119.785 120.300 0.066 0.000 2.201 158 Y HA -0.215 4.325 4.550 -0.017 0.000 0.292 158 Y C 1.531 177.373 175.900 -0.096 0.000 1.119 158 Y CA 1.375 59.446 58.100 -0.047 0.000 1.127 158 Y CB -0.592 37.747 38.460 -0.202 0.000 1.019 158 Y HN 0.037 nan 8.280 nan 0.000 0.514 159 Y N 0.180 120.591 120.300 0.185 0.000 2.420 159 Y HA 0.048 4.589 4.550 -0.016 0.000 0.292 159 Y C 0.775 176.750 175.900 0.126 0.000 1.119 159 Y CA 0.533 58.700 58.100 0.112 0.000 1.229 159 Y CB 0.071 38.553 38.460 0.037 0.000 1.026 159 Y HN 0.066 nan 8.280 nan 0.000 0.554 160 N N -1.503 117.277 118.700 0.135 0.000 3.229 160 N HA 0.283 5.013 4.740 -0.016 0.000 0.315 160 N C -0.131 174.946 175.510 -0.723 0.000 1.520 160 N CA -0.290 52.701 53.050 -0.098 0.000 0.769 160 N CB 0.482 38.946 38.487 -0.038 0.000 1.766 160 N HN 0.074 nan 8.380 nan 0.000 0.618 161 G N -0.158 107.952 108.800 -1.151 0.000 2.699 161 G HA2 0.302 4.253 3.960 -0.016 0.000 0.246 161 G HA3 0.302 4.253 3.960 -0.016 0.000 0.246 161 G C 0.998 175.430 174.900 -0.779 0.000 1.219 161 G CA -0.319 44.031 45.100 -1.251 0.000 0.866 161 G HN 0.200 nan 8.290 nan 0.000 0.572 162 V N 1.587 120.961 119.914 -0.900 0.000 2.284 162 V HA 0.303 4.413 4.120 -0.016 0.000 0.236 162 V C 2.486 178.218 176.094 -0.605 0.000 1.044 162 V CA 2.220 63.810 62.300 -1.184 0.000 1.019 162 V CB -1.608 29.456 31.823 -1.264 0.000 0.657 162 V HN 1.658 nan 8.190 nan 0.000 0.465 163 G N -0.758 107.817 108.800 -0.375 0.000 2.536 163 G HA2 -0.367 3.584 3.960 -0.016 0.000 0.280 163 G HA3 -0.367 3.584 3.960 -0.016 0.000 0.280 163 G C 0.046 174.942 174.900 -0.008 0.000 1.152 163 G CA 0.616 45.617 45.100 -0.165 0.000 0.970 163 G HN 1.113 nan 8.290 nan 0.000 0.549 164 H N -1.493 117.516 119.070 -0.101 0.000 2.496 164 H HA 0.140 4.686 4.556 -0.016 0.000 0.323 164 H C 0.317 175.734 175.328 0.148 0.000 1.054 164 H CA 1.709 57.790 56.048 0.056 0.000 1.095 164 H CB -1.283 28.544 29.762 0.109 0.000 1.595 164 H HN 1.788 nan 8.280 nan 0.000 0.388 165 V N 0.089 120.095 119.914 0.153 0.000 3.225 165 V HA 0.640 4.750 4.120 -0.016 0.000 0.293 165 V C -1.035 175.154 176.094 0.158 0.000 1.405 165 V CA -0.014 62.388 62.300 0.170 0.000 1.038 165 V CB 2.805 34.692 31.823 0.107 0.000 1.123 165 V HN 0.343 nan 8.190 nan 0.000 0.447 166 S N 3.796 119.606 115.700 0.184 0.000 2.653 166 S HA 0.563 5.023 4.470 -0.016 0.000 0.272 166 S C -0.367 174.324 174.600 0.152 0.000 1.221 166 S CA -0.008 58.351 58.200 0.264 0.000 1.149 166 S CB 0.517 63.898 63.200 0.302 0.000 1.029 166 S HN 1.761 nan 8.310 nan 0.000 0.481 167 V N 1.890 121.770 119.914 -0.057 0.000 3.566 167 V HA 0.369 4.479 4.120 -0.016 0.000 0.301 167 V C 0.725 176.698 176.094 -0.202 0.000 1.105 167 V CA -0.204 61.959 62.300 -0.229 0.000 1.142 167 V CB 0.344 31.887 31.823 -0.467 0.000 1.107 167 V HN 0.731 nan 8.190 nan 0.000 0.481 168 D N 0.182 120.476 120.400 -0.178 0.000 2.608 168 D HA 0.167 4.797 4.640 -0.016 0.000 0.224 168 D C 0.771 176.982 176.300 -0.149 0.000 1.123 168 D CA 0.177 54.124 54.000 -0.088 0.000 1.030 168 D CB -0.628 40.142 40.800 -0.051 0.000 1.093 168 D HN 0.654 nan 8.370 nan 0.000 0.497 169 Y N 0.616 120.798 120.300 -0.196 0.000 2.128 169 Y HA -0.152 4.388 4.550 -0.016 0.000 0.284 169 Y C 2.613 178.327 175.900 -0.309 0.000 1.154 169 Y CA 1.449 59.369 58.100 -0.299 0.000 1.149 169 Y CB -0.488 37.654 38.460 -0.529 0.000 0.976 169 Y HN 0.367 nan 8.280 nan 0.000 0.505 170 G N -0.152 108.538 108.800 -0.184 0.000 2.469 170 G HA2 -0.358 3.592 3.960 -0.016 0.000 0.220 170 G HA3 -0.358 3.592 3.960 -0.016 0.000 0.220 170 G C 1.669 176.607 174.900 0.063 0.000 1.136 170 G CA 1.345 46.453 45.100 0.014 0.000 0.759 170 G HN 0.373 nan 8.290 nan 0.000 0.562 171 K N -0.076 120.334 120.400 0.016 0.000 2.057 171 K HA 0.004 4.315 4.320 -0.016 0.000 0.206 171 K C 2.548 179.139 176.600 -0.015 0.000 1.050 171 K CA 1.169 57.464 56.287 0.012 0.000 0.935 171 K CB -0.181 32.315 32.500 -0.006 0.000 0.715 171 K HN 0.195 nan 8.250 nan 0.000 0.439 172 V N 1.784 121.658 119.914 -0.066 0.000 2.515 172 V HA -0.206 3.904 4.120 -0.016 0.000 0.250 172 V C 2.248 178.268 176.094 -0.123 0.000 1.058 172 V CA 1.325 63.546 62.300 -0.131 0.000 1.064 172 V CB -0.331 31.370 31.823 -0.203 0.000 0.675 172 V HN 0.320 nan 8.190 nan 0.000 0.461 173 L N -0.330 120.863 121.223 -0.050 0.000 2.141 173 L HA -0.143 4.187 4.340 -0.016 0.000 0.209 173 L C 2.704 179.611 176.870 0.063 0.000 1.094 173 L CA 1.568 56.378 54.840 -0.050 0.000 0.763 173 L CB -0.452 41.556 42.059 -0.084 0.000 0.908 173 L HN 0.288 nan 8.230 nan 0.000 0.437 174 R N 0.148 120.723 120.500 0.126 0.000 2.062 174 R HA -0.094 4.237 4.340 -0.016 0.000 0.226 174 R C 1.969 178.314 176.300 0.075 0.000 1.125 174 R CA 1.686 57.881 56.100 0.158 0.000 0.966 174 R CB 0.123 30.502 30.300 0.132 0.000 0.861 174 R HN 0.336 nan 8.270 nan 0.000 0.433 175 V N -2.250 117.679 119.914 0.025 0.000 3.660 175 V HA 0.416 4.526 4.120 -0.016 0.000 0.276 175 V C 0.736 176.815 176.094 -0.026 0.000 1.317 175 V CA 0.277 62.582 62.300 0.009 0.000 1.097 175 V CB -0.223 31.606 31.823 0.011 0.000 0.863 175 V HN 0.526 nan 8.190 nan 0.000 0.438 176 G N 0.540 109.283 108.800 -0.095 0.000 2.894 176 G HA2 -0.289 3.662 3.960 -0.016 0.000 0.247 176 G HA3 -0.289 3.662 3.960 -0.016 0.000 0.247 176 G C -0.030 174.770 174.900 -0.166 0.000 1.442 176 G CA 0.290 45.269 45.100 -0.202 0.000 0.897 176 G HN 0.393 nan 8.290 nan 0.000 0.550 177 F N 0.220 120.194 119.950 0.040 0.000 2.269 177 F HA -0.115 4.402 4.527 -0.017 0.000 0.301 177 F C 2.674 178.488 175.800 0.024 0.000 1.082 177 F CA 1.249 59.273 58.000 0.040 0.000 1.360 177 F CB -0.098 38.940 39.000 0.063 0.000 1.041 177 F HN 0.380 nan 8.300 nan 0.000 0.512 178 N N 0.535 119.335 118.700 0.168 0.000 2.106 178 N HA -0.111 4.619 4.740 -0.016 0.000 0.188 178 N C 2.261 177.813 175.510 0.070 0.000 1.029 178 N CA 1.354 54.466 53.050 0.104 0.000 0.848 178 N CB -1.099 37.432 38.487 0.072 0.000 1.007 178 N HN 0.322 nan 8.380 nan 0.000 0.423 179 G N 2.059 110.889 108.800 0.050 0.000 2.440 179 G HA2 -0.175 3.775 3.960 -0.016 0.000 0.218 179 G HA3 -0.175 3.775 3.960 -0.016 0.000 0.218 179 G C 1.461 176.382 174.900 0.034 0.000 1.154 179 G CA 0.416 45.535 45.100 0.032 0.000 0.767 179 G HN 0.172 nan 8.290 nan 0.000 0.552 180 I N 1.042 121.641 120.570 0.048 0.000 2.226 180 I HA -0.081 4.079 4.170 -0.016 0.000 0.245 180 I C 2.787 178.927 176.117 0.038 0.000 1.100 180 I CA 0.756 62.082 61.300 0.043 0.000 1.374 180 I CB -0.974 37.069 38.000 0.071 0.000 1.057 180 I HN 0.205 nan 8.210 nan 0.000 0.413 181 I N 0.939 121.544 120.570 0.058 0.000 2.179 181 I HA -0.294 3.867 4.170 -0.016 0.000 0.242 181 I C 2.185 178.314 176.117 0.020 0.000 1.088 181 I CA 1.191 62.512 61.300 0.035 0.000 1.357 181 I CB -0.484 37.544 38.000 0.047 0.000 1.051 181 I HN 0.264 nan 8.210 nan 0.000 0.409 182 N N 0.619 119.335 118.700 0.025 0.000 2.289 182 N HA -0.217 4.513 4.740 -0.016 0.000 0.184 182 N C 1.737 177.255 175.510 0.013 0.000 1.016 182 N CA 1.129 54.190 53.050 0.017 0.000 0.872 182 N CB -0.206 38.293 38.487 0.020 0.000 0.973 182 N HN 0.479 nan 8.380 nan 0.000 0.433 183 E N 0.748 120.957 120.200 0.015 0.000 2.072 183 E HA -0.039 4.301 4.350 -0.016 0.000 0.191 183 E C 1.838 178.446 176.600 0.013 0.000 0.985 183 E CA 0.916 57.325 56.400 0.015 0.000 0.801 183 E CB 0.024 29.733 29.700 0.016 0.000 0.750 183 E HN 0.297 nan 8.360 nan 0.000 0.452 184 A N 1.150 123.974 122.820 0.006 0.000 1.930 184 A HA -0.168 4.142 4.320 -0.016 0.000 0.217 184 A C 1.989 179.572 177.584 -0.000 0.000 1.175 184 A CA 1.454 53.489 52.037 -0.003 0.000 0.627 184 A CB -0.301 18.677 19.000 -0.037 0.000 0.815 184 A HN 0.124 nan 8.150 nan 0.000 0.443 185 K N -0.402 119.997 120.400 -0.002 0.000 2.211 185 K HA -0.099 4.211 4.320 -0.016 0.000 0.203 185 K C 1.829 178.428 176.600 -0.002 0.000 1.050 185 K CA 1.296 57.581 56.287 -0.003 0.000 0.945 185 K CB -0.070 32.429 32.500 -0.002 0.000 0.732 185 K HN 0.622 nan 8.250 nan 0.000 0.451 186 E N 0.410 120.612 120.200 0.003 0.000 2.072 186 E HA -0.140 4.200 4.350 -0.016 0.000 0.190 186 E C 2.145 178.746 176.600 0.001 0.000 0.982 186 E CA 0.651 57.052 56.400 0.001 0.000 0.803 186 E CB 0.187 29.890 29.700 0.006 0.000 0.755 186 E HN 0.168 nan 8.360 nan 0.000 0.453 187 Q N 0.459 120.268 119.800 0.014 0.000 2.084 187 Q HA -0.157 4.174 4.340 -0.016 0.000 0.202 187 Q C 2.278 178.285 176.000 0.010 0.000 0.978 187 Q CA 0.849 56.668 55.803 0.026 0.000 0.844 187 Q CB -0.332 28.442 28.738 0.062 0.000 0.898 187 Q HN 0.211 nan 8.270 nan 0.000 0.426 188 L N 1.155 122.384 121.223 0.010 0.000 2.081 188 L HA -0.217 4.113 4.340 -0.016 0.000 0.212 188 L C 2.237 179.082 176.870 -0.042 0.000 1.080 188 L CA 1.888 56.726 54.840 -0.003 0.000 0.754 188 L CB -0.689 41.370 42.059 -0.001 0.000 0.893 188 L HN 0.183 nan 8.230 nan 0.000 0.433 189 E N -0.435 119.742 120.200 -0.038 0.000 2.046 189 E HA -0.175 4.165 4.350 -0.016 0.000 0.190 189 E C 2.174 178.724 176.600 -0.083 0.000 0.982 189 E CA 1.369 57.737 56.400 -0.053 0.000 0.800 189 E CB -0.026 29.653 29.700 -0.034 0.000 0.756 189 E HN 0.379 nan 8.360 nan 0.000 0.449 190 K N 0.054 120.411 120.400 -0.072 0.000 2.097 190 K HA -0.064 4.246 4.320 -0.016 0.000 0.206 190 K C 1.467 177.950 176.600 -0.194 0.000 1.049 190 K CA 1.230 57.462 56.287 -0.092 0.000 0.933 190 K CB -0.089 32.385 32.500 -0.043 0.000 0.717 190 K HN 0.090 nan 8.250 nan 0.000 0.442 191 N N 1.497 120.055 118.700 -0.236 0.000 2.467 191 N HA -0.057 4.673 4.740 -0.016 0.000 0.184 191 N C -0.032 175.016 175.510 -0.769 0.000 1.106 191 N CA 0.319 53.023 53.050 -0.576 0.000 0.892 191 N CB -0.070 38.292 38.487 -0.208 0.000 0.969 191 N HN 0.298 nan 8.380 nan 0.000 0.454 192 R N 1.192 121.465 120.500 -0.379 0.000 2.458 192 R HA 0.244 4.574 4.340 -0.016 0.000 0.303 192 R C 0.099 176.211 176.300 -0.313 0.000 1.013 192 R CA 0.046 55.980 56.100 -0.277 0.000 1.026 192 R CB 0.181 30.396 30.300 -0.142 0.000 0.948 192 R HN 0.027 nan 8.270 nan 0.000 0.417 193 S N 2.675 118.226 115.700 -0.249 0.000 2.655 193 S HA 0.193 4.653 4.470 -0.016 0.000 0.266 193 S C 0.424 175.031 174.600 0.012 0.000 1.149 193 S CA -0.691 57.432 58.200 -0.129 0.000 0.818 193 S CB 0.514 63.608 63.200 -0.177 0.000 1.130 193 S HN 0.774 nan 8.310 nan 0.000 0.476 194 I N -1.312 119.289 120.570 0.051 0.000 3.793 194 I HA 0.372 4.532 4.170 -0.016 0.000 0.315 194 I C 0.344 176.529 176.117 0.113 0.000 1.275 194 I CA -0.069 61.272 61.300 0.069 0.000 1.214 194 I CB -0.280 37.744 38.000 0.040 0.000 1.018 194 I HN 0.515 nan 8.210 nan 0.000 0.439 195 D N 3.427 123.945 120.400 0.196 0.000 2.417 195 D HA 0.095 4.725 4.640 -0.016 0.000 0.250 195 D C -1.486 174.916 176.300 0.168 0.000 1.166 195 D CA -1.821 52.295 54.000 0.193 0.000 0.881 195 D CB 1.698 42.670 40.800 0.287 0.000 1.164 195 D HN 0.009 nan 8.370 nan 0.000 0.467 196 P HA -0.103 nan 4.420 nan 0.000 0.218 196 P C 0.721 178.009 177.300 -0.019 0.000 1.148 196 P CA 0.683 63.802 63.100 0.031 0.000 0.822 196 P CB 0.299 32.002 31.700 0.006 0.000 0.784 197 D N -1.445 118.877 120.400 -0.130 0.000 2.265 197 D HA -0.136 4.495 4.640 -0.016 0.000 0.208 197 D C 1.347 177.452 176.300 -0.325 0.000 0.977 197 D CA 1.046 54.879 54.000 -0.279 0.000 0.871 197 D CB -0.462 40.065 40.800 -0.455 0.000 0.925 197 D HN 0.297 nan 8.370 nan 0.000 0.485 198 F N 0.238 120.192 119.950 0.006 0.000 2.780 198 F HA 0.132 4.650 4.527 -0.015 0.000 0.299 198 F C 2.225 178.038 175.800 0.021 0.000 1.146 198 F CA -0.169 57.839 58.000 0.014 0.000 1.428 198 F CB -0.041 38.967 39.000 0.013 0.000 1.115 198 F HN -0.099 nan 8.300 nan 0.000 0.583 199 I N 0.308 120.959 120.570 0.135 0.000 2.142 199 I HA -0.312 3.848 4.170 -0.016 0.000 0.240 199 I C 2.265 178.430 176.117 0.081 0.000 1.078 199 I CA 1.588 62.944 61.300 0.094 0.000 1.343 199 I CB -0.363 37.671 38.000 0.056 0.000 1.046 199 I HN 0.038 nan 8.210 nan 0.000 0.405 200 K N 0.741 121.172 120.400 0.052 0.000 2.148 200 K HA -0.142 4.169 4.320 -0.016 0.000 0.204 200 K C 2.078 178.740 176.600 0.102 0.000 1.050 200 K CA 1.113 57.434 56.287 0.056 0.000 0.942 200 K CB -0.041 32.469 32.500 0.016 0.000 0.724 200 K HN 0.277 nan 8.250 nan 0.000 0.446 201 K N 0.851 121.315 120.400 0.106 0.000 2.148 201 K HA -0.181 4.129 4.320 -0.016 0.000 0.204 201 K C 2.083 178.819 176.600 0.225 0.000 1.050 201 K CA 1.119 57.513 56.287 0.178 0.000 0.942 201 K CB 0.030 32.640 32.500 0.184 0.000 0.724 201 K HN 0.244 nan 8.250 nan 0.000 0.446 202 E N 1.251 121.556 120.200 0.176 0.000 2.072 202 E HA -0.186 4.154 4.350 -0.016 0.000 0.191 202 E C 1.570 178.229 176.600 0.098 0.000 0.985 202 E CA 1.044 57.521 56.400 0.128 0.000 0.801 202 E CB 0.287 30.047 29.700 0.099 0.000 0.750 202 E HN 0.024 nan 8.360 nan 0.000 0.452 203 K N 0.367 120.830 120.400 0.105 0.000 2.097 203 K HA -0.153 4.157 4.320 -0.016 0.000 0.206 203 K C 1.941 178.601 176.600 0.100 0.000 1.049 203 K CA 0.890 57.226 56.287 0.081 0.000 0.933 203 K CB -0.771 31.776 32.500 0.078 0.000 0.717 203 K HN 0.222 nan 8.250 nan 0.000 0.442 204 F N 1.912 121.879 119.950 0.029 0.000 2.102 204 F HA -0.126 4.392 4.527 -0.015 0.000 0.298 204 F C 1.950 177.769 175.800 0.031 0.000 1.105 204 F CA 1.206 59.224 58.000 0.030 0.000 1.239 204 F CB -0.399 38.617 39.000 0.027 0.000 0.991 204 F HN -0.134 nan 8.300 nan 0.000 0.474 205 L N 0.203 121.372 121.223 -0.091 0.000 2.046 205 L HA -0.267 4.063 4.340 -0.016 0.000 0.208 205 L C 2.099 178.867 176.870 -0.170 0.000 1.077 205 L CA 1.983 56.717 54.840 -0.178 0.000 0.747 205 L CB -0.958 41.108 42.059 0.011 0.000 0.896 205 L HN 0.248 nan 8.230 nan 0.000 0.432 206 N N -0.932 117.716 118.700 -0.088 0.000 2.244 206 N HA -0.140 4.591 4.740 -0.016 0.000 0.183 206 N C 1.883 177.336 175.510 -0.095 0.000 1.016 206 N CA 1.131 54.140 53.050 -0.067 0.000 0.866 206 N CB 0.052 38.522 38.487 -0.028 0.000 0.980 206 N HN 0.181 nan 8.380 nan 0.000 0.430 207 S N 0.102 115.724 115.700 -0.130 0.000 2.402 207 S HA -0.043 4.417 4.470 -0.016 0.000 0.229 207 S C 2.136 176.640 174.600 -0.160 0.000 1.021 207 S CA 0.475 58.604 58.200 -0.118 0.000 0.974 207 S CB -0.057 63.092 63.200 -0.085 0.000 0.800 207 S HN 0.100 nan 8.310 nan 0.000 0.484 208 V N 2.183 121.918 119.914 -0.298 0.000 2.295 208 V HA -0.161 3.949 4.120 -0.016 0.000 0.246 208 V C 2.059 178.088 176.094 -0.110 0.000 1.049 208 V CA 1.530 63.677 62.300 -0.256 0.000 1.024 208 V CB -0.593 30.995 31.823 -0.393 0.000 0.648 208 V HN 0.445 nan 8.190 nan 0.000 0.447 209 I N -0.379 120.130 120.570 -0.102 0.000 2.127 209 I HA -0.283 3.877 4.170 -0.016 0.000 0.241 209 I C 2.305 178.399 176.117 -0.039 0.000 1.075 209 I CA 1.913 63.183 61.300 -0.051 0.000 1.334 209 I CB -0.358 37.615 38.000 -0.045 0.000 1.040 209 I HN 0.226 nan 8.210 nan 0.000 0.405 210 I N 0.097 120.639 120.570 -0.048 0.000 2.264 210 I HA -0.301 3.859 4.170 -0.016 0.000 0.248 210 I C 2.606 178.694 176.117 -0.048 0.000 1.111 210 I CA 1.310 62.585 61.300 -0.042 0.000 1.382 210 I CB -0.298 37.678 38.000 -0.040 0.000 1.060 210 I HN 0.188 nan 8.210 nan 0.000 0.418 211 S N -0.127 115.552 115.700 -0.035 0.000 2.355 211 S HA -0.178 4.282 4.470 -0.016 0.000 0.222 211 S C 2.095 176.671 174.600 -0.040 0.000 1.031 211 S CA 1.399 59.586 58.200 -0.022 0.000 0.993 211 S CB -0.389 62.861 63.200 0.084 0.000 0.859 211 S HN 0.494 nan 8.310 nan 0.000 0.453 212 C N 1.809 121.121 119.300 0.021 0.000 2.432 212 C HA 0.019 4.469 4.460 -0.016 0.000 0.280 212 C C 2.514 177.433 174.990 -0.118 0.000 1.353 212 C CA 0.290 59.294 59.018 -0.023 0.000 1.766 212 C CB -1.236 26.555 27.740 0.086 0.000 1.924 212 C HN 0.618 nan 8.230 nan 0.000 0.509 213 E N 1.021 121.179 120.200 -0.070 0.000 2.152 213 E HA -0.091 4.249 4.350 -0.016 0.000 0.192 213 E C 2.348 178.888 176.600 -0.101 0.000 0.983 213 E CA 1.153 57.516 56.400 -0.061 0.000 0.818 213 E CB -0.179 29.500 29.700 -0.035 0.000 0.758 213 E HN 0.674 nan 8.360 nan 0.000 0.467 214 A N 1.477 124.218 122.820 -0.132 0.000 1.969 214 A HA -0.021 4.289 4.320 -0.016 0.000 0.218 214 A C 2.373 179.826 177.584 -0.218 0.000 1.169 214 A CA 1.353 53.303 52.037 -0.145 0.000 0.635 214 A CB -0.438 18.470 19.000 -0.154 0.000 0.810 214 A HN 0.271 nan 8.150 nan 0.000 0.445 215 A N 0.186 122.779 122.820 -0.378 0.000 1.902 215 A HA -0.101 4.209 4.320 -0.016 0.000 0.217 215 A C 2.084 179.435 177.584 -0.388 0.000 1.181 215 A CA 1.542 53.226 52.037 -0.588 0.000 0.623 215 A CB -0.592 17.719 19.000 -1.149 0.000 0.818 215 A HN 0.505 nan 8.150 nan 0.000 0.443 216 I N -0.602 119.810 120.570 -0.262 0.000 2.252 216 I HA -0.205 3.955 4.170 -0.016 0.000 0.245 216 I C 2.517 178.597 176.117 -0.061 0.000 1.102 216 I CA 1.673 62.930 61.300 -0.072 0.000 1.385 216 I CB -0.668 37.334 38.000 0.004 0.000 1.064 216 I HN 0.244 nan 8.210 nan 0.000 0.414 217 T N -0.013 114.506 114.554 -0.059 0.000 2.746 217 T HA -0.244 4.096 4.350 -0.016 0.000 0.267 217 T C 1.787 176.483 174.700 -0.007 0.000 1.039 217 T CA 1.435 63.517 62.100 -0.030 0.000 1.142 217 T CB -0.429 68.424 68.868 -0.025 0.000 0.866 217 T HN 0.310 nan 8.240 nan 0.000 0.444 218 Y N 1.919 122.134 120.300 -0.142 0.000 2.145 218 Y HA -0.174 4.367 4.550 -0.016 0.000 0.286 218 Y C 2.328 178.186 175.900 -0.070 0.000 1.145 218 Y CA 0.798 58.843 58.100 -0.091 0.000 1.148 218 Y CB -0.664 37.720 38.460 -0.126 0.000 0.981 218 Y HN -0.014 nan 8.280 nan 0.000 0.507 219 V N 0.586 120.354 119.914 -0.243 0.000 2.343 219 V HA -0.356 3.754 4.120 -0.016 0.000 0.247 219 V C 1.914 177.888 176.094 -0.200 0.000 1.051 219 V CA 2.328 64.293 62.300 -0.558 0.000 1.036 219 V CB -0.910 30.564 31.823 -0.581 0.000 0.654 219 V HN 0.456 nan 8.190 nan 0.000 0.451 220 N N -0.350 118.282 118.700 -0.112 0.000 2.205 220 N HA -0.168 4.562 4.740 -0.016 0.000 0.186 220 N C 2.023 177.501 175.510 -0.053 0.000 1.015 220 N CA 0.951 53.970 53.050 -0.052 0.000 0.862 220 N CB -0.140 38.325 38.487 -0.037 0.000 0.986 220 N HN 0.459 nan 8.380 nan 0.000 0.429 221 R N -0.316 120.123 120.500 -0.101 0.000 2.096 221 R HA -0.117 4.213 4.340 -0.016 0.000 0.235 221 R C 1.470 177.658 176.300 -0.187 0.000 1.127 221 R CA 1.155 57.157 56.100 -0.163 0.000 0.968 221 R CB -0.289 29.858 30.300 -0.255 0.000 0.861 221 R HN 0.373 nan 8.270 nan 0.000 0.440 222 Y N 0.412 120.627 120.300 -0.143 0.000 2.242 222 Y HA -0.132 4.408 4.550 -0.016 0.000 0.291 222 Y C 2.501 178.412 175.900 0.017 0.000 1.137 222 Y CA 1.126 59.213 58.100 -0.021 0.000 1.181 222 Y CB -0.338 38.205 38.460 0.137 0.000 0.989 222 Y HN 0.113 nan 8.280 nan 0.000 0.527 223 A N 0.195 123.099 122.820 0.140 0.000 1.908 223 A HA -0.270 4.040 4.320 -0.016 0.000 0.218 223 A C 2.237 179.848 177.584 0.045 0.000 1.181 223 A CA 2.114 54.205 52.037 0.089 0.000 0.627 223 A CB -0.624 18.406 19.000 0.050 0.000 0.818 223 A HN 0.433 nan 8.150 nan 0.000 0.445 224 K N -0.393 120.011 120.400 0.006 0.000 2.025 224 K HA -0.190 4.120 4.320 -0.016 0.000 0.207 224 K C 2.167 178.756 176.600 -0.018 0.000 1.049 224 K CA 1.744 58.023 56.287 -0.013 0.000 0.933 224 K CB -0.159 32.319 32.500 -0.037 0.000 0.714 224 K HN 0.256 nan 8.250 nan 0.000 0.438 225 K N 0.914 121.286 120.400 -0.046 0.000 2.103 225 K HA -0.082 4.228 4.320 -0.016 0.000 0.207 225 K C 1.705 178.308 176.600 0.006 0.000 1.048 225 K CA 1.618 57.875 56.287 -0.051 0.000 0.930 225 K CB -0.454 31.966 32.500 -0.134 0.000 0.716 225 K HN 0.258 nan 8.250 nan 0.000 0.444 226 A N 0.673 123.522 122.820 0.049 0.000 1.933 226 A HA -0.174 4.136 4.320 -0.016 0.000 0.218 226 A C 2.153 179.767 177.584 0.050 0.000 1.175 226 A CA 1.906 53.988 52.037 0.076 0.000 0.628 226 A CB -0.529 18.538 19.000 0.112 0.000 0.814 226 A HN 0.425 nan 8.150 nan 0.000 0.444 227 K N -0.211 120.211 120.400 0.036 0.000 2.031 227 K HA -0.128 4.182 4.320 -0.016 0.000 0.205 227 K C 1.893 178.504 176.600 0.018 0.000 1.049 227 K CA 1.415 57.718 56.287 0.026 0.000 0.939 227 K CB -0.159 32.353 32.500 0.020 0.000 0.717 227 K HN 0.609 nan 8.250 nan 0.000 0.438 228 E N 0.430 120.636 120.200 0.009 0.000 2.160 228 E HA -0.199 4.141 4.350 -0.016 0.000 0.195 228 E C 1.979 178.585 176.600 0.009 0.000 0.991 228 E CA 1.247 57.649 56.400 0.003 0.000 0.810 228 E CB -0.083 29.611 29.700 -0.009 0.000 0.742 228 E HN 0.386 nan 8.360 nan 0.000 0.466 229 I N 0.947 121.527 120.570 0.016 0.000 2.353 229 I HA -0.190 3.970 4.170 -0.016 0.000 0.248 229 I C 2.553 178.685 176.117 0.025 0.000 1.119 229 I CA 0.620 61.932 61.300 0.021 0.000 1.417 229 I CB -0.260 37.759 38.000 0.032 0.000 1.078 229 I HN 0.070 nan 8.210 nan 0.000 0.421 230 A N 0.792 123.630 122.820 0.029 0.000 1.877 230 A HA -0.253 4.057 4.320 -0.016 0.000 0.216 230 A C 1.879 179.476 177.584 0.022 0.000 1.186 230 A CA 2.066 54.121 52.037 0.030 0.000 0.620 230 A CB -0.675 18.345 19.000 0.033 0.000 0.822 230 A HN 0.333 nan 8.150 nan 0.000 0.443 231 D N 0.303 120.714 120.400 0.018 0.000 2.271 231 D HA -0.110 4.520 4.640 -0.016 0.000 0.207 231 D C 0.602 176.909 176.300 0.012 0.000 0.983 231 D CA 1.040 55.048 54.000 0.013 0.000 0.878 231 D CB -0.227 40.579 40.800 0.009 0.000 0.920 231 D HN 0.461 nan 8.370 nan 0.000 0.479 232 N N -0.376 118.331 118.700 0.013 0.000 2.282 232 N HA 0.037 4.767 4.740 -0.016 0.000 0.240 232 N C -0.599 174.920 175.510 0.014 0.000 1.182 232 N CA 0.091 53.148 53.050 0.011 0.000 0.874 232 N CB 1.224 39.717 38.487 0.009 0.000 1.126 232 N HN -0.069 nan 8.380 nan 0.000 0.516 233 T N -0.054 114.510 114.554 0.017 0.000 2.758 233 T HA 0.261 4.602 4.350 -0.016 0.000 0.285 233 T C 1.175 175.885 174.700 0.017 0.000 0.981 233 T CA -0.285 61.826 62.100 0.019 0.000 0.965 233 T CB 2.160 71.043 68.868 0.025 0.000 0.927 233 T HN -0.070 nan 8.240 nan 0.000 0.448 234 S N 2.006 117.714 115.700 0.014 0.000 2.345 234 S HA -0.056 4.404 4.470 -0.016 0.000 0.219 234 S C 1.064 175.672 174.600 0.013 0.000 1.031 234 S CA 0.396 58.604 58.200 0.012 0.000 0.984 234 S CB -0.125 63.082 63.200 0.010 0.000 0.874 234 S HN 0.834 nan 8.310 nan 0.000 0.451 235 D N 1.926 122.335 120.400 0.014 0.000 2.554 235 D HA 0.036 4.666 4.640 -0.016 0.000 0.251 235 D C 1.141 177.451 176.300 0.017 0.000 1.213 235 D CA 0.319 54.328 54.000 0.015 0.000 0.900 235 D CB 0.802 41.612 40.800 0.017 0.000 1.135 235 D HN 0.221 nan 8.370 nan 0.000 0.522 236 A N 5.551 128.379 122.820 0.014 0.000 1.917 236 A HA -0.246 4.064 4.320 -0.016 0.000 0.219 236 A C 2.138 179.732 177.584 0.017 0.000 1.182 236 A CA 1.842 53.887 52.037 0.014 0.000 0.633 236 A CB -0.320 18.686 19.000 0.010 0.000 0.819 236 A HN 0.726 nan 8.150 nan 0.000 0.448 237 K N -1.026 119.383 120.400 0.015 0.000 2.002 237 K HA -0.218 4.093 4.320 -0.016 0.000 0.209 237 K C 2.324 178.942 176.600 0.029 0.000 1.048 237 K CA 1.726 58.024 56.287 0.017 0.000 0.930 237 K CB -0.160 32.348 32.500 0.013 0.000 0.714 237 K HN 0.273 nan 8.250 nan 0.000 0.438 238 R N 1.588 122.107 120.500 0.032 0.000 2.115 238 R HA -0.067 4.263 4.340 -0.016 0.000 0.230 238 R C 1.970 178.297 176.300 0.046 0.000 1.111 238 R CA 1.621 57.747 56.100 0.043 0.000 0.976 238 R CB -0.264 30.059 30.300 0.038 0.000 0.870 238 R HN 0.195 nan 8.270 nan 0.000 0.445 239 K N -0.480 119.942 120.400 0.036 0.000 2.057 239 K HA -0.053 4.257 4.320 -0.016 0.000 0.206 239 K C 1.743 178.367 176.600 0.041 0.000 1.050 239 K CA 1.380 57.688 56.287 0.035 0.000 0.935 239 K CB -0.187 32.329 32.500 0.026 0.000 0.715 239 K HN 0.209 nan 8.250 nan 0.000 0.439 240 A N 1.473 124.316 122.820 0.038 0.000 1.930 240 A HA -0.156 4.154 4.320 -0.016 0.000 0.217 240 A C 1.786 179.407 177.584 0.063 0.000 1.175 240 A CA 1.477 53.538 52.037 0.041 0.000 0.627 240 A CB -0.364 18.654 19.000 0.029 0.000 0.815 240 A HN 0.488 nan 8.150 nan 0.000 0.443 241 E N -0.020 120.227 120.200 0.078 0.000 2.051 241 E HA -0.154 4.186 4.350 -0.016 0.000 0.192 241 E C 1.935 178.608 176.600 0.122 0.000 0.991 241 E CA 1.202 57.676 56.400 0.124 0.000 0.799 241 E CB -0.342 29.436 29.700 0.130 0.000 0.748 241 E HN 0.612 nan 8.360 nan 0.000 0.449 242 L N 1.348 122.627 121.223 0.093 0.000 2.046 242 L HA -0.190 4.140 4.340 -0.016 0.000 0.208 242 L C 2.202 179.115 176.870 0.071 0.000 1.077 242 L CA 0.779 55.671 54.840 0.086 0.000 0.747 242 L CB -0.423 41.678 42.059 0.070 0.000 0.896 242 L HN 0.145 nan 8.230 nan 0.000 0.432 243 N N -0.287 118.447 118.700 0.057 0.000 2.244 243 N HA -0.203 4.527 4.740 -0.016 0.000 0.183 243 N C 1.837 177.370 175.510 0.038 0.000 1.016 243 N CA 1.066 54.142 53.050 0.044 0.000 0.866 243 N CB -0.028 38.480 38.487 0.036 0.000 0.980 243 N HN 0.288 nan 8.380 nan 0.000 0.430 244 E N 1.197 121.426 120.200 0.047 0.000 2.107 244 E HA 0.041 4.381 4.350 -0.016 0.000 0.191 244 E C 2.005 178.584 176.600 -0.036 0.000 0.982 244 E CA 0.608 57.022 56.400 0.023 0.000 0.809 244 E CB -0.246 29.504 29.700 0.083 0.000 0.756 244 E HN 0.310 nan 8.360 nan 0.000 0.459 245 I N 0.337 120.918 120.570 0.018 0.000 2.179 245 I HA -0.291 3.869 4.170 -0.016 0.000 0.242 245 I C 2.335 178.475 176.117 0.038 0.000 1.088 245 I CA 1.119 62.430 61.300 0.018 0.000 1.357 245 I CB -0.423 37.644 38.000 0.111 0.000 1.051 245 I HN 0.186 nan 8.210 nan 0.000 0.409 246 A N 0.731 123.584 122.820 0.055 0.000 1.908 246 A HA -0.289 4.021 4.320 -0.016 0.000 0.218 246 A C 2.385 179.991 177.584 0.036 0.000 1.181 246 A CA 2.128 54.200 52.037 0.059 0.000 0.627 246 A CB -0.590 18.439 19.000 0.048 0.000 0.818 246 A HN 0.382 nan 8.150 nan 0.000 0.445 247 K N -0.297 120.111 120.400 0.014 0.000 2.026 247 K HA -0.111 4.199 4.320 -0.016 0.000 0.208 247 K C 1.819 178.415 176.600 -0.007 0.000 1.048 247 K CA 1.781 58.070 56.287 0.004 0.000 0.929 247 K CB -0.335 32.163 32.500 -0.003 0.000 0.713 247 K HN 0.499 nan 8.250 nan 0.000 0.439 248 I N 0.756 121.295 120.570 -0.051 0.000 2.315 248 I HA -0.327 3.833 4.170 -0.016 0.000 0.248 248 I C 2.418 178.553 176.117 0.030 0.000 1.117 248 I CA 0.768 62.028 61.300 -0.066 0.000 1.404 248 I CB -0.237 37.613 38.000 -0.249 0.000 1.071 248 I HN 0.352 nan 8.210 nan 0.000 0.419 249 C N -0.147 119.200 119.300 0.078 0.000 2.446 249 C HA -0.108 4.342 4.460 -0.016 0.000 0.277 249 C C 3.163 178.192 174.990 0.065 0.000 1.275 249 C CA 0.981 60.083 59.018 0.140 0.000 1.727 249 C CB -0.835 27.022 27.740 0.196 0.000 2.010 249 C HN 0.456 nan 8.230 nan 0.000 0.486 250 S N 0.444 116.172 115.700 0.047 0.000 2.400 250 S HA -0.216 4.244 4.470 -0.016 0.000 0.232 250 S C 1.870 176.490 174.600 0.033 0.000 1.025 250 S CA 1.760 59.978 58.200 0.030 0.000 0.993 250 S CB -0.276 62.939 63.200 0.025 0.000 0.808 250 S HN 0.756 nan 8.310 nan 0.000 0.478 251 K N 1.409 121.831 120.400 0.036 0.000 2.067 251 K HA 0.004 4.314 4.320 -0.016 0.000 0.203 251 K C 1.686 178.314 176.600 0.046 0.000 1.048 251 K CA 1.290 57.600 56.287 0.038 0.000 0.954 251 K CB -0.119 32.401 32.500 0.034 0.000 0.737 251 K HN 0.299 nan 8.250 nan 0.000 0.444 252 V N 0.610 120.559 119.914 0.059 0.000 3.630 252 V HA 0.085 4.195 4.120 -0.016 0.000 0.273 252 V C 0.578 176.719 176.094 0.079 0.000 1.248 252 V CA 0.521 62.859 62.300 0.063 0.000 1.170 252 V CB -0.563 31.321 31.823 0.101 0.000 0.899 252 V HN 0.337 nan 8.190 nan 0.000 0.457 253 S N 0.200 115.943 115.700 0.072 0.000 3.983 253 S HA 0.665 5.126 4.470 -0.016 0.000 0.194 253 S C 1.090 175.773 174.600 0.138 0.000 1.464 253 S CA 0.307 58.561 58.200 0.090 0.000 1.021 253 S CB -0.137 63.073 63.200 0.016 0.000 1.424 253 S HN 1.411 nan 8.310 nan 0.000 0.473 254 G N 1.129 110.043 108.800 0.190 0.000 3.033 254 G HA2 -0.138 3.812 3.960 -0.016 0.000 0.196 254 G HA3 -0.138 3.812 3.960 -0.016 0.000 0.196 254 G C -0.253 174.694 174.900 0.079 0.000 1.078 254 G CA -0.600 44.600 45.100 0.167 0.000 0.805 254 G HN 0.558 nan 8.290 nan 0.000 0.472 255 E N 0.700 120.928 120.200 0.047 0.000 2.318 255 E HA 0.512 4.852 4.350 -0.016 0.000 0.265 255 E C 0.795 177.393 176.600 -0.003 0.000 1.069 255 E CA -0.178 56.239 56.400 0.027 0.000 0.893 255 E CB 1.171 30.892 29.700 0.036 0.000 1.076 255 E HN 0.423 nan 8.360 nan 0.000 0.414 256 G N 0.088 108.893 108.800 0.008 0.000 2.572 256 G HA2 0.419 4.369 3.960 -0.016 0.000 0.261 256 G HA3 0.419 4.369 3.960 -0.016 0.000 0.261 256 G C -0.461 174.462 174.900 0.039 0.000 1.197 256 G CA -0.318 44.786 45.100 0.007 0.000 0.870 256 G HN 0.522 nan 8.290 nan 0.000 0.548 257 A N 0.254 123.089 122.820 0.025 0.000 2.304 257 A HA 0.599 4.909 4.320 -0.016 0.000 0.271 257 A C 1.031 178.738 177.584 0.205 0.000 1.091 257 A CA -0.078 51.981 52.037 0.038 0.000 0.812 257 A CB 1.121 20.038 19.000 -0.139 0.000 1.056 257 A HN 0.789 nan 8.150 nan 0.000 0.489 258 K N -0.162 120.361 120.400 0.206 0.000 2.494 258 K HA 0.110 4.420 4.320 -0.016 0.000 0.201 258 K C 0.867 177.648 176.600 0.303 0.000 1.338 258 K CA 0.790 57.233 56.287 0.260 0.000 0.935 258 K CB 0.251 32.841 32.500 0.151 0.000 1.514 258 K HN 0.815 nan 8.250 nan 0.000 0.490 259 S N -0.321 115.519 115.700 0.233 0.000 2.645 259 S HA 0.112 4.572 4.470 -0.016 0.000 0.266 259 S C 0.864 175.663 174.600 0.331 0.000 1.258 259 S CA -0.688 57.670 58.200 0.264 0.000 0.990 259 S CB 0.590 63.929 63.200 0.232 0.000 0.967 259 S HN 0.243 nan 8.310 nan 0.000 0.556 260 F N 0.719 120.797 119.950 0.213 0.000 2.186 260 F HA 0.003 4.520 4.527 -0.016 0.000 0.299 260 F C 2.047 177.972 175.800 0.208 0.000 1.090 260 F CA 1.127 59.248 58.000 0.201 0.000 1.307 260 F CB -0.605 38.497 39.000 0.171 0.000 1.019 260 F HN 0.761 nan 8.300 nan 0.000 0.489 261 Y N 1.661 122.007 120.300 0.077 0.000 2.145 261 Y HA -0.195 4.345 4.550 -0.016 0.000 0.286 261 Y C 2.315 178.187 175.900 -0.047 0.000 1.145 261 Y CA 2.036 60.127 58.100 -0.015 0.000 1.148 261 Y CB -0.906 37.645 38.460 0.152 0.000 0.981 261 Y HN 0.236 nan 8.280 nan 0.000 0.507 262 E N -0.522 119.782 120.200 0.175 0.000 2.118 262 E HA -0.206 4.134 4.350 -0.016 0.000 0.195 262 E C 2.330 178.930 176.600 0.000 0.000 0.992 262 E CA 1.043 57.481 56.400 0.063 0.000 0.804 262 E CB -0.265 29.471 29.700 0.060 0.000 0.741 262 E HN 0.488 nan 8.360 nan 0.000 0.458 263 A N 0.594 123.342 122.820 -0.120 0.000 1.930 263 A HA -0.168 4.142 4.320 -0.016 0.000 0.217 263 A C 2.375 179.876 177.584 -0.137 0.000 1.175 263 A CA 1.025 52.878 52.037 -0.306 0.000 0.627 263 A CB -0.676 17.967 19.000 -0.595 0.000 0.815 263 A HN 0.347 nan 8.150 nan 0.000 0.443 264 C N -1.410 117.782 119.300 -0.181 0.000 2.440 264 C HA -0.048 4.402 4.460 -0.016 0.000 0.278 264 C C 2.831 177.954 174.990 0.220 0.000 1.295 264 C CA 1.374 60.380 59.018 -0.021 0.000 1.738 264 C CB -0.872 26.751 27.740 -0.195 0.000 1.987 264 C HN 0.760 nan 8.230 nan 0.000 0.492 265 Q N 0.683 120.598 119.800 0.191 0.000 2.083 265 Q HA -0.093 4.237 4.340 -0.016 0.000 0.198 265 Q C 2.002 178.161 176.000 0.265 0.000 0.969 265 Q CA 1.385 57.307 55.803 0.198 0.000 0.838 265 Q CB -0.581 28.270 28.738 0.189 0.000 0.900 265 Q HN 0.508 nan 8.270 nan 0.000 0.436 266 L N 0.002 121.380 121.223 0.258 0.000 2.046 266 L HA -0.053 4.277 4.340 -0.016 0.000 0.208 266 L C 2.031 179.060 176.870 0.266 0.000 1.077 266 L CA 1.751 56.750 54.840 0.265 0.000 0.747 266 L CB -1.099 41.007 42.059 0.078 0.000 0.896 266 L HN 0.412 nan 8.230 nan 0.000 0.432 267 F N -0.736 119.316 119.950 0.170 0.000 2.065 267 F HA -0.314 4.203 4.527 -0.017 0.000 0.298 267 F C 2.355 178.364 175.800 0.348 0.000 1.112 267 F CA 2.304 60.460 58.000 0.259 0.000 1.212 267 F CB -0.854 38.304 39.000 0.265 0.000 0.975 267 F HN 0.336 nan 8.300 nan 0.000 0.476 268 W N -0.035 121.258 121.300 -0.012 0.000 2.363 268 W HA -0.274 4.377 4.660 -0.016 0.000 0.296 268 W C 1.932 178.409 176.519 -0.070 0.000 1.212 268 W CA 1.368 58.630 57.345 -0.138 0.000 1.260 268 W CB -0.622 28.762 29.460 -0.127 0.000 1.131 268 W HN 0.091 nan 8.180 nan 0.000 0.530 269 F N 0.691 120.638 119.950 -0.005 0.000 2.234 269 F HA -0.173 4.344 4.527 -0.017 0.000 0.299 269 F C 2.317 178.145 175.800 0.047 0.000 1.087 269 F CA 1.327 59.327 58.000 -0.000 0.000 1.340 269 F CB -1.088 38.032 39.000 0.201 0.000 1.031 269 F HN -0.204 nan 8.300 nan 0.000 0.500 270 I N -1.182 119.551 120.570 0.272 0.000 2.163 270 I HA -0.322 3.838 4.170 -0.016 0.000 0.240 270 I C 2.465 178.631 176.117 0.083 0.000 1.081 270 I CA 1.640 63.109 61.300 0.283 0.000 1.353 270 I CB -0.625 37.461 38.000 0.144 0.000 1.054 270 I HN 0.080 nan 8.210 nan 0.000 0.407 271 H N 1.056 119.988 119.070 -0.230 0.000 2.290 271 H HA -0.173 4.373 4.556 -0.016 0.000 0.298 271 H C 2.194 177.263 175.328 -0.432 0.000 1.087 271 H CA 2.020 57.874 56.048 -0.324 0.000 1.291 271 H CB -0.102 29.308 29.762 -0.588 0.000 1.369 271 H HN 0.313 nan 8.280 nan 0.000 0.492 272 A N 0.653 123.065 122.820 -0.680 0.000 1.865 272 A HA -0.168 4.142 4.320 -0.016 0.000 0.217 272 A C 2.594 180.002 177.584 -0.293 0.000 1.191 272 A CA 1.927 53.602 52.037 -0.603 0.000 0.623 272 A CB -0.998 17.593 19.000 -0.682 0.000 0.826 272 A HN 0.516 nan 8.150 nan 0.000 0.444 273 I N -0.163 120.283 120.570 -0.207 0.000 2.208 273 I HA -0.295 3.865 4.170 -0.016 0.000 0.245 273 I C 2.299 178.286 176.117 -0.216 0.000 1.097 273 I CA 1.393 62.499 61.300 -0.324 0.000 1.363 273 I CB -0.437 37.280 38.000 -0.473 0.000 1.051 273 I HN 0.338 nan 8.210 nan 0.000 0.413 274 I N 0.818 121.392 120.570 0.008 0.000 2.194 274 I HA -0.339 3.821 4.170 -0.016 0.000 0.246 274 I C 2.000 178.093 176.117 -0.040 0.000 1.093 274 I CA 1.521 62.866 61.300 0.075 0.000 1.355 274 I CB -0.585 37.393 38.000 -0.036 0.000 1.046 274 I HN 0.356 nan 8.210 nan 0.000 0.413 275 N N 0.593 119.212 118.700 -0.135 0.000 2.550 275 N HA -0.001 4.729 4.740 -0.016 0.000 0.186 275 N C 1.704 177.267 175.510 0.088 0.000 1.110 275 N CA 0.931 53.938 53.050 -0.072 0.000 0.912 275 N CB 0.322 38.737 38.487 -0.121 0.000 0.968 275 N HN 0.457 nan 8.380 nan 0.000 0.448 276 I N 0.299 120.879 120.570 0.017 0.000 2.731 276 I HA -0.088 4.072 4.170 -0.016 0.000 0.260 276 I C 2.398 178.586 176.117 0.119 0.000 1.138 276 I CA 0.381 61.703 61.300 0.037 0.000 1.461 276 I CB 0.045 37.923 38.000 -0.202 0.000 1.128 276 I HN 0.057 nan 8.210 nan 0.000 0.438 277 E N 0.614 120.852 120.200 0.064 0.000 2.072 277 E HA -0.152 4.188 4.350 -0.016 0.000 0.191 277 E C 0.914 177.712 176.600 0.330 0.000 0.985 277 E CA 0.919 57.394 56.400 0.124 0.000 0.801 277 E CB 0.330 30.095 29.700 0.107 0.000 0.750 277 E HN 0.245 nan 8.360 nan 0.000 0.452 278 S N -0.827 115.072 115.700 0.332 0.000 2.579 278 S HA 0.209 4.669 4.470 -0.016 0.000 0.272 278 S C -0.648 173.819 174.600 -0.222 0.000 1.141 278 S CA -0.584 57.794 58.200 0.297 0.000 0.843 278 S CB 1.244 64.576 63.200 0.219 0.000 1.122 278 S HN 0.374 nan 8.310 nan 0.000 0.468 279 N N 1.442 119.661 118.700 -0.801 0.000 2.279 279 N HA 0.195 4.926 4.740 -0.016 0.000 0.226 279 N C 0.472 175.711 175.510 -0.452 0.000 1.126 279 N CA -0.105 52.384 53.050 -0.935 0.000 0.846 279 N CB -0.129 37.397 38.487 -1.602 0.000 1.050 279 N HN 0.586 nan 8.380 nan 0.000 0.502 280 G N 1.054 109.619 108.800 -0.391 0.000 2.365 280 G HA2 0.115 4.065 3.960 -0.016 0.000 0.249 280 G HA3 0.115 4.065 3.960 -0.016 0.000 0.249 280 G C 0.428 175.178 174.900 -0.250 0.000 1.288 280 G CA -0.282 44.598 45.100 -0.367 0.000 0.887 280 G HN 0.610 nan 8.290 nan 0.000 0.524 281 H N 0.066 119.038 119.070 -0.163 0.000 2.584 281 H HA 0.420 4.967 4.556 -0.016 0.000 0.299 281 H C 0.771 175.903 175.328 -0.326 0.000 1.548 281 H CA -0.156 55.787 56.048 -0.175 0.000 1.544 281 H CB 0.267 29.964 29.762 -0.108 0.000 1.732 281 H HN 0.504 nan 8.280 nan 0.000 0.813 282 S N -0.649 115.027 115.700 -0.041 0.000 3.586 282 S HA -0.136 4.324 4.470 -0.016 0.000 0.309 282 S C 0.126 174.670 174.600 -0.093 0.000 1.195 282 S CA 0.390 58.467 58.200 -0.205 0.000 0.895 282 S CB -1.351 61.322 63.200 -0.878 0.000 0.983 282 S HN 0.460 nan 8.310 nan 0.000 0.563 283 I N 2.902 123.472 120.570 -0.001 0.000 2.460 283 I HA 0.130 4.290 4.170 -0.016 0.000 0.297 283 I C 0.724 176.997 176.117 0.261 0.000 1.139 283 I CA 0.544 61.886 61.300 0.070 0.000 1.340 283 I CB -0.401 37.555 38.000 -0.072 0.000 1.444 283 I HN 0.133 nan 8.210 nan 0.000 0.557 284 S N 9.260 125.105 115.700 0.242 0.000 2.442 284 S HA 0.335 4.795 4.470 -0.016 0.000 0.297 284 S C -1.543 173.271 174.600 0.356 0.000 1.131 284 S CA -1.055 57.294 58.200 0.249 0.000 1.092 284 S CB 1.664 64.947 63.200 0.137 0.000 0.998 284 S HN 0.364 nan 8.310 nan 0.000 0.478 285 P HA -0.047 nan 4.420 nan 0.000 0.220 285 P C 1.029 178.508 177.300 0.298 0.000 1.148 285 P CA 1.492 64.715 63.100 0.204 0.000 0.803 285 P CB 0.001 31.767 31.700 0.110 0.000 0.782 286 A N -0.249 122.694 122.820 0.204 0.000 5.369 286 A HA -0.311 3.999 4.320 -0.016 0.000 0.298 286 A C 0.599 178.253 177.584 0.116 0.000 2.000 286 A CA 1.383 53.519 52.037 0.164 0.000 0.716 286 A CB -1.892 17.252 19.000 0.240 0.000 1.248 286 A HN 0.211 nan 8.150 nan 0.000 0.365 287 R N -0.122 120.456 120.500 0.130 0.000 4.860 287 R HA 0.261 4.591 4.340 -0.016 0.000 0.191 287 R C 0.900 177.018 176.300 -0.304 0.000 1.936 287 R CA 0.559 56.648 56.100 -0.019 0.000 1.609 287 R CB -0.761 29.535 30.300 -0.007 0.000 1.392 287 R HN 0.593 nan 8.270 nan 0.000 0.844 288 F N 2.964 122.595 119.950 -0.531 0.000 2.147 288 F HA -0.308 4.209 4.527 -0.017 0.000 0.301 288 F C 2.058 177.414 175.800 -0.739 0.000 1.084 288 F CA 2.298 59.720 58.000 -0.963 0.000 1.268 288 F CB 0.119 38.848 39.000 -0.452 0.000 1.009 288 F HN 0.330 nan 8.300 nan 0.000 0.486 289 D N -1.023 119.220 120.400 -0.263 0.000 2.269 289 D HA -0.160 4.470 4.640 -0.016 0.000 0.208 289 D C 1.617 177.796 176.300 -0.202 0.000 0.963 289 D CA 0.798 54.682 54.000 -0.193 0.000 0.864 289 D CB -0.597 40.152 40.800 -0.085 0.000 0.936 289 D HN 0.353 nan 8.370 nan 0.000 0.505 290 Q N 0.017 119.673 119.800 -0.239 0.000 2.163 290 Q HA -0.069 4.261 4.340 -0.016 0.000 0.198 290 Q C 2.030 178.044 176.000 0.023 0.000 0.954 290 Q CA 0.926 56.677 55.803 -0.087 0.000 0.851 290 Q CB -0.528 28.184 28.738 -0.044 0.000 0.928 290 Q HN 0.675 nan 8.270 nan 0.000 0.459 291 Y N -2.809 117.513 120.300 0.037 0.000 2.500 291 Y HA 0.270 4.810 4.550 -0.017 0.000 0.270 291 Y C 1.670 177.649 175.900 0.132 0.000 1.134 291 Y CA 0.102 58.261 58.100 0.097 0.000 1.293 291 Y CB -0.072 38.462 38.460 0.123 0.000 1.063 291 Y HN -0.129 nan 8.280 nan 0.000 0.534 292 M N -1.054 118.489 119.600 -0.095 0.000 2.534 292 M HA 0.045 4.515 4.480 -0.016 0.000 0.263 292 M C 1.601 178.059 176.300 0.263 0.000 1.152 292 M CA 0.364 55.674 55.300 0.017 0.000 1.145 292 M CB -1.066 31.135 32.600 -0.666 0.000 1.333 292 M HN 0.438 nan 8.290 nan 0.000 0.477 293 Y N 2.667 122.986 120.300 0.032 0.000 2.114 293 Y HA -0.159 4.381 4.550 -0.016 0.000 0.282 293 Y C -0.861 175.130 175.900 0.151 0.000 1.165 293 Y CA 2.138 60.286 58.100 0.081 0.000 1.148 293 Y CB -1.757 36.703 38.460 0.000 0.000 0.972 293 Y HN 0.132 nan 8.280 nan 0.000 0.504 294 P HA -0.214 nan 4.420 nan 0.000 0.216 294 P C 1.101 178.237 177.300 -0.273 0.000 1.153 294 P CA 2.231 65.191 63.100 -0.233 0.000 0.858 294 P CB -0.338 31.236 31.700 -0.210 0.000 0.789 295 Y N -2.788 117.554 120.300 0.070 0.000 2.293 295 Y HA -0.192 4.348 4.550 -0.017 0.000 0.291 295 Y C 2.567 178.570 175.900 0.171 0.000 1.137 295 Y CA 1.189 59.387 58.100 0.162 0.000 1.202 295 Y CB -1.177 37.442 38.460 0.265 0.000 0.990 295 Y HN -0.001 nan 8.280 nan 0.000 0.537 296 Y N 1.016 121.362 120.300 0.076 0.000 2.163 296 Y HA -0.201 4.339 4.550 -0.016 0.000 0.288 296 Y C 2.374 178.073 175.900 -0.337 0.000 1.136 296 Y CA 1.894 59.775 58.100 -0.366 0.000 1.147 296 Y CB -0.477 37.602 38.460 -0.635 0.000 0.987 296 Y HN 0.174 nan 8.280 nan 0.000 0.509 297 E N -0.182 119.654 120.200 -0.608 0.000 2.150 297 E HA -0.200 4.141 4.350 -0.016 0.000 0.193 297 E C 1.415 177.776 176.600 -0.399 0.000 0.985 297 E CA 1.293 57.316 56.400 -0.629 0.000 0.814 297 E CB -0.103 29.185 29.700 -0.686 0.000 0.752 297 E HN 0.538 nan 8.360 nan 0.000 0.466 298 N N 1.039 119.570 118.700 -0.283 0.000 2.446 298 N HA -0.088 4.643 4.740 -0.016 0.000 0.179 298 N C 0.010 175.447 175.510 -0.122 0.000 1.054 298 N CA 0.396 53.343 53.050 -0.170 0.000 0.905 298 N CB 0.019 38.426 38.487 -0.133 0.000 0.973 298 N HN 0.133 nan 8.380 nan 0.000 0.448 299 D N 1.752 122.071 120.400 -0.134 0.000 2.383 299 D HA 0.030 4.661 4.640 -0.016 0.000 0.245 299 D C 0.312 176.541 176.300 -0.119 0.000 1.263 299 D CA 0.056 54.022 54.000 -0.058 0.000 0.936 299 D CB 0.436 41.250 40.800 0.023 0.000 1.053 299 D HN 0.122 nan 8.370 nan 0.000 0.507 300 K N 2.337 122.696 120.400 -0.068 0.000 2.487 300 K HA 0.052 4.362 4.320 -0.016 0.000 0.192 300 K C 0.877 177.457 176.600 -0.033 0.000 1.027 300 K CA 0.087 56.333 56.287 -0.068 0.000 1.054 300 K CB 0.588 33.061 32.500 -0.046 0.000 0.824 300 K HN 0.281 nan 8.250 nan 0.000 0.510 301 N N 0.688 119.388 118.700 -0.001 0.000 2.564 301 N HA 0.060 4.790 4.740 -0.016 0.000 0.202 301 N C 0.681 176.224 175.510 0.054 0.000 1.052 301 N CA -0.118 52.950 53.050 0.030 0.000 0.872 301 N CB 0.527 39.048 38.487 0.057 0.000 1.303 301 N HN 0.084 nan 8.380 nan 0.000 0.440 302 I N 2.976 123.604 120.570 0.096 0.000 2.815 302 I HA -0.090 4.070 4.170 -0.016 0.000 0.291 302 I C 0.531 176.713 176.117 0.107 0.000 1.209 302 I CA 0.352 61.757 61.300 0.176 0.000 1.431 302 I CB 0.647 38.797 38.000 0.251 0.000 1.351 302 I HN 0.188 nan 8.210 nan 0.000 0.585 303 T N 1.946 116.600 114.554 0.167 0.000 2.918 303 T HA 0.219 4.559 4.350 -0.016 0.000 0.283 303 T C 0.723 175.516 174.700 0.156 0.000 1.001 303 T CA -0.760 61.415 62.100 0.124 0.000 1.041 303 T CB 1.441 70.377 68.868 0.113 0.000 1.028 303 T HN 0.572 nan 8.240 nan 0.000 0.511 304 D N 0.296 120.774 120.400 0.130 0.000 2.144 304 D HA -0.086 4.544 4.640 -0.016 0.000 0.199 304 D C 1.875 178.238 176.300 0.106 0.000 0.984 304 D CA 1.227 55.307 54.000 0.134 0.000 0.834 304 D CB -0.103 40.759 40.800 0.104 0.000 0.955 304 D HN 0.744 nan 8.370 nan 0.000 0.465 305 K N -0.453 120.018 120.400 0.117 0.000 2.026 305 K HA -0.168 4.142 4.320 -0.016 0.000 0.208 305 K C 2.069 178.774 176.600 0.174 0.000 1.048 305 K CA 0.837 57.198 56.287 0.124 0.000 0.929 305 K CB -0.251 32.315 32.500 0.111 0.000 0.713 305 K HN 0.026 nan 8.250 nan 0.000 0.439 306 F N 1.302 121.274 119.950 0.037 0.000 2.146 306 F HA -0.029 4.488 4.527 -0.016 0.000 0.298 306 F C 2.013 177.849 175.800 0.060 0.000 1.096 306 F CA 1.087 59.105 58.000 0.029 0.000 1.275 306 F CB -0.659 38.357 39.000 0.028 0.000 1.008 306 F HN 0.105 nan 8.300 nan 0.000 0.480 307 A N -0.283 122.567 122.820 0.050 0.000 1.940 307 A HA -0.264 4.046 4.320 -0.016 0.000 0.219 307 A C 2.118 179.716 177.584 0.022 0.000 1.176 307 A CA 1.862 53.923 52.037 0.040 0.000 0.631 307 A CB -0.925 18.056 19.000 -0.032 0.000 0.814 307 A HN 0.487 nan 8.150 nan 0.000 0.446 308 Q N -0.006 119.788 119.800 -0.011 0.000 2.079 308 Q HA -0.158 4.173 4.340 -0.016 0.000 0.200 308 Q C 1.925 177.902 176.000 -0.039 0.000 0.974 308 Q CA 2.166 57.949 55.803 -0.033 0.000 0.840 308 Q CB -0.349 28.395 28.738 0.010 0.000 0.898 308 Q HN 0.761 nan 8.270 nan 0.000 0.430 309 E N -0.489 119.687 120.200 -0.041 0.000 2.051 309 E HA -0.186 4.155 4.350 -0.016 0.000 0.192 309 E C 1.921 178.420 176.600 -0.169 0.000 0.991 309 E CA 1.201 57.562 56.400 -0.065 0.000 0.799 309 E CB -0.199 29.499 29.700 -0.002 0.000 0.748 309 E HN 0.447 nan 8.360 nan 0.000 0.449 310 L N 0.651 121.676 121.223 -0.330 0.000 2.012 310 L HA -0.232 4.098 4.340 -0.016 0.000 0.210 310 L C 2.573 179.362 176.870 -0.136 0.000 1.073 310 L CA 1.152 55.780 54.840 -0.352 0.000 0.748 310 L CB -0.379 41.385 42.059 -0.492 0.000 0.891 310 L HN 0.298 nan 8.230 nan 0.000 0.431 311 I N -0.318 120.224 120.570 -0.046 0.000 2.226 311 I HA -0.300 3.860 4.170 -0.016 0.000 0.245 311 I C 2.082 178.129 176.117 -0.116 0.000 1.100 311 I CA 1.182 62.464 61.300 -0.031 0.000 1.374 311 I CB -0.466 37.480 38.000 -0.090 0.000 1.057 311 I HN 0.303 nan 8.210 nan 0.000 0.413 312 D N 0.500 120.807 120.400 -0.154 0.000 2.182 312 D HA -0.172 4.458 4.640 -0.016 0.000 0.201 312 D C 2.264 178.562 176.300 -0.004 0.000 0.986 312 D CA 1.230 55.166 54.000 -0.108 0.000 0.847 312 D CB -0.413 40.365 40.800 -0.037 0.000 0.942 312 D HN 0.391 nan 8.370 nan 0.000 0.467 313 C N 0.786 120.056 119.300 -0.049 0.000 2.440 313 C HA -0.078 4.372 4.460 -0.016 0.000 0.278 313 C C 2.721 177.643 174.990 -0.113 0.000 1.295 313 C CA -0.136 58.833 59.018 -0.081 0.000 1.738 313 C CB -0.675 26.996 27.740 -0.115 0.000 1.987 313 C HN 0.331 nan 8.230 nan 0.000 0.492 314 I N -0.514 120.032 120.570 -0.041 0.000 2.179 314 I HA -0.235 3.925 4.170 -0.016 0.000 0.242 314 I C 2.544 178.657 176.117 -0.007 0.000 1.088 314 I CA 1.570 62.843 61.300 -0.046 0.000 1.357 314 I CB -1.376 36.707 38.000 0.139 0.000 1.051 314 I HN 0.616 nan 8.210 nan 0.000 0.409 315 W N 1.294 122.457 121.300 -0.227 0.000 2.318 315 W HA -0.257 4.394 4.660 -0.016 0.000 0.313 315 W C 2.629 179.046 176.519 -0.170 0.000 1.221 315 W CA 1.065 58.298 57.345 -0.187 0.000 1.266 315 W CB -0.250 29.125 29.460 -0.141 0.000 1.150 315 W HN 0.109 nan 8.180 nan 0.000 0.496 316 I N 0.177 120.783 120.570 0.060 0.000 2.252 316 I HA -0.316 3.844 4.170 -0.016 0.000 0.245 316 I C 2.359 178.384 176.117 -0.153 0.000 1.102 316 I CA 1.122 62.400 61.300 -0.036 0.000 1.385 316 I CB -0.555 37.424 38.000 -0.035 0.000 1.064 316 I HN -0.197 nan 8.210 nan 0.000 0.414 317 K N 0.850 121.046 120.400 -0.341 0.000 2.147 317 K HA -0.069 4.241 4.320 -0.016 0.000 0.205 317 K C 2.001 178.330 176.600 -0.452 0.000 1.049 317 K CA 1.175 57.087 56.287 -0.626 0.000 0.936 317 K CB -0.521 31.098 32.500 -1.469 0.000 0.722 317 K HN 0.360 nan 8.250 nan 0.000 0.446 318 L N 1.188 122.227 121.223 -0.307 0.000 2.353 318 L HA -0.124 4.206 4.340 -0.016 0.000 0.220 318 L C 1.578 178.472 176.870 0.040 0.000 1.133 318 L CA 0.742 55.580 54.840 -0.003 0.000 0.798 318 L CB -0.234 41.724 42.059 -0.168 0.000 0.922 318 L HN 0.194 nan 8.230 nan 0.000 0.445 319 N N -0.880 117.809 118.700 -0.019 0.000 2.299 319 N HA -0.093 4.637 4.740 -0.016 0.000 0.187 319 N C 0.995 176.527 175.510 0.038 0.000 1.099 319 N CA 0.358 53.413 53.050 0.009 0.000 0.867 319 N CB 0.343 38.825 38.487 -0.008 0.000 0.974 319 N HN 0.239 nan 8.380 nan 0.000 0.477 320 D N 0.841 121.279 120.400 0.064 0.000 2.277 320 D HA 0.102 4.732 4.640 -0.016 0.000 0.208 320 D C 0.559 176.949 176.300 0.150 0.000 0.962 320 D CA 0.237 54.293 54.000 0.094 0.000 0.865 320 D CB 0.353 41.218 40.800 0.108 0.000 0.939 320 D HN 0.167 nan 8.370 nan 0.000 0.510 321 I N 0.924 121.620 120.570 0.209 0.000 2.474 321 I HA 0.142 4.302 4.170 -0.016 0.000 0.287 321 I C 0.491 176.691 176.117 0.139 0.000 1.048 321 I CA -0.266 61.154 61.300 0.201 0.000 1.383 321 I CB 0.816 38.960 38.000 0.240 0.000 1.412 321 I HN -0.070 nan 8.210 nan 0.000 0.531 322 N N 5.315 124.102 118.700 0.145 0.000 2.647 322 N HA 0.479 5.210 4.740 -0.016 0.000 0.266 322 N C -1.632 173.995 175.510 0.195 0.000 1.373 322 N CA -0.788 52.358 53.050 0.159 0.000 0.807 322 N CB 2.610 41.177 38.487 0.133 0.000 1.513 322 N HN 0.570 nan 8.380 nan 0.000 0.505 323 K N 1.320 121.857 120.400 0.228 0.000 2.588 323 K HA 0.347 4.657 4.320 -0.016 0.000 0.250 323 K C -1.700 174.945 176.600 0.075 0.000 0.972 323 K CA -0.603 55.768 56.287 0.141 0.000 0.821 323 K CB 1.729 34.266 32.500 0.061 0.000 1.249 323 K HN 0.254 nan 8.250 nan 0.000 0.442 324 V N 5.010 124.850 119.914 -0.125 0.000 2.583 324 V HA 0.504 4.614 4.120 -0.016 0.000 0.287 324 V C -0.649 175.378 176.094 -0.111 0.000 1.051 324 V CA 0.012 62.057 62.300 -0.425 0.000 1.010 324 V CB 0.799 32.223 31.823 -0.665 0.000 0.988 324 V HN 0.840 nan 8.190 nan 0.000 0.478 325 R N 4.175 124.532 120.500 -0.239 0.000 2.888 325 R HA 0.452 4.782 4.340 -0.016 0.000 0.266 325 R C -0.836 174.950 176.300 -0.857 0.000 1.020 325 R CA -0.841 54.929 56.100 -0.550 0.000 0.963 325 R CB 1.327 31.451 30.300 -0.293 0.000 1.197 325 R HN 0.884 nan 8.270 nan 0.000 0.481 326 D N 0.772 120.323 120.400 -1.414 0.000 2.354 326 D HA -0.064 4.566 4.640 -0.016 0.000 0.238 326 D C 0.168 176.201 176.300 -0.444 0.000 1.250 326 D CA -0.087 53.354 54.000 -0.933 0.000 0.911 326 D CB 0.820 41.007 40.800 -1.021 0.000 1.163 326 D HN 0.553 nan 8.370 nan 0.000 0.456 327 E N -0.323 119.738 120.200 -0.232 0.000 2.070 327 E HA -0.188 4.152 4.350 -0.016 0.000 0.197 327 E C 2.024 178.438 176.600 -0.310 0.000 1.004 327 E CA 1.056 57.345 56.400 -0.185 0.000 0.805 327 E CB -0.066 29.575 29.700 -0.099 0.000 0.744 327 E HN 0.487 nan 8.360 nan 0.000 0.451 328 I N 1.048 121.383 120.570 -0.391 0.000 2.163 328 I HA -0.175 3.985 4.170 -0.016 0.000 0.240 328 I C 2.389 177.982 176.117 -0.872 0.000 1.081 328 I CA 1.106 62.072 61.300 -0.557 0.000 1.353 328 I CB -1.365 36.402 38.000 -0.388 0.000 1.054 328 I HN -0.026 nan 8.210 nan 0.000 0.407 329 S N 0.722 115.935 115.700 -0.811 0.000 2.400 329 S HA -0.162 4.298 4.470 -0.016 0.000 0.232 329 S C 1.983 176.293 174.600 -0.483 0.000 1.025 329 S CA 1.783 59.481 58.200 -0.837 0.000 0.993 329 S CB -0.485 62.464 63.200 -0.419 0.000 0.808 329 S HN 0.495 nan 8.310 nan 0.000 0.478 330 T N 2.113 116.461 114.554 -0.344 0.000 2.881 330 T HA -0.065 4.276 4.350 -0.016 0.000 0.270 330 T C 1.594 176.185 174.700 -0.181 0.000 1.068 330 T CA 1.030 63.042 62.100 -0.146 0.000 1.131 330 T CB -0.168 68.634 68.868 -0.110 0.000 0.871 330 T HN 0.466 nan 8.240 nan 0.000 0.479 331 K N 0.157 120.345 120.400 -0.352 0.000 2.217 331 K HA -0.012 4.298 4.320 -0.016 0.000 0.202 331 K C 1.950 178.420 176.600 -0.216 0.000 1.051 331 K CA 0.922 57.035 56.287 -0.289 0.000 0.952 331 K CB -0.122 32.095 32.500 -0.473 0.000 0.736 331 K HN 0.621 nan 8.250 nan 0.000 0.453 332 H N -1.075 117.684 119.070 -0.517 0.000 2.470 332 H HA 0.009 4.555 4.556 -0.016 0.000 0.289 332 H C -0.017 174.733 175.328 -0.962 0.000 1.033 332 H CA 0.293 55.809 56.048 -0.888 0.000 1.331 332 H CB 0.217 29.273 29.762 -1.176 0.000 1.414 332 H HN 0.047 nan 8.280 nan 0.000 0.545 333 F N 0.970 120.951 119.950 0.053 0.000 2.622 333 F HA 0.339 4.856 4.527 -0.017 0.000 0.338 333 F C 0.661 176.487 175.800 0.043 0.000 1.334 333 F CA -0.857 57.202 58.000 0.099 0.000 1.179 333 F CB 0.883 39.939 39.000 0.095 0.000 1.471 333 F HN -0.038 nan 8.300 nan 0.000 0.576 334 G N -0.298 108.607 108.800 0.175 0.000 2.444 334 G HA2 0.445 4.395 3.960 -0.016 0.000 0.268 334 G HA3 0.445 4.395 3.960 -0.016 0.000 0.268 334 G C 0.761 175.726 174.900 0.109 0.000 1.203 334 G CA 0.026 45.172 45.100 0.077 0.000 0.835 334 G HN 1.092 nan 8.290 nan 0.000 0.543 335 G N 0.242 108.997 108.800 -0.076 0.000 2.141 335 G HA2 -0.157 3.793 3.960 -0.016 0.000 0.195 335 G HA3 -0.157 3.793 3.960 -0.016 0.000 0.195 335 G C 0.380 175.274 174.900 -0.010 0.000 1.012 335 G CA 0.141 45.185 45.100 -0.094 0.000 0.696 335 G HN 1.542 nan 8.290 nan 0.000 0.508 336 Y N -2.070 118.259 120.300 0.048 0.000 3.168 336 Y HA -0.214 4.326 4.550 -0.016 0.000 0.207 336 Y C -1.186 174.683 175.900 -0.052 0.000 1.280 336 Y CA 0.210 58.334 58.100 0.040 0.000 1.235 336 Y CB -1.504 36.961 38.460 0.007 0.000 1.370 336 Y HN 0.512 nan 8.280 nan 0.000 0.537 337 P HA 0.103 nan 4.420 nan 0.000 0.280 337 P C 0.290 177.303 177.300 -0.478 0.000 1.244 337 P CA -0.169 62.632 63.100 -0.498 0.000 0.784 337 P CB 1.408 32.395 31.700 -1.189 0.000 0.913 338 M N 1.323 120.692 119.600 -0.385 0.000 2.379 338 M HA 0.098 4.568 4.480 -0.016 0.000 0.265 338 M C 0.050 176.375 176.300 0.042 0.000 1.095 338 M CA -0.152 55.089 55.300 -0.100 0.000 1.075 338 M CB -0.975 31.636 32.600 0.018 0.000 1.443 338 M HN 0.295 nan 8.290 nan 0.000 0.519 339 Y N 0.891 121.125 120.300 -0.110 0.000 3.168 339 Y HA -0.258 4.283 4.550 -0.016 0.000 0.207 339 Y C -0.148 175.738 175.900 -0.023 0.000 1.280 339 Y CA 0.105 58.157 58.100 -0.080 0.000 1.235 339 Y CB -2.889 35.501 38.460 -0.117 0.000 1.370 339 Y HN 0.376 nan 8.280 nan 0.000 0.537 340 Q N 0.938 120.794 119.800 0.095 0.000 2.472 340 Q HA 0.131 4.461 4.340 -0.016 0.000 0.227 340 Q C 0.335 176.352 176.000 0.028 0.000 1.156 340 Q CA -0.413 55.450 55.803 0.100 0.000 0.924 340 Q CB 0.397 29.210 28.738 0.125 0.000 1.354 340 Q HN 0.286 nan 8.270 nan 0.000 0.525 341 N N 2.959 121.691 118.700 0.053 0.000 2.497 341 N HA 0.215 4.945 4.740 -0.016 0.000 0.271 341 N C -1.386 174.114 175.510 -0.016 0.000 1.142 341 N CA 0.094 53.154 53.050 0.018 0.000 0.965 341 N CB 0.733 39.234 38.487 0.024 0.000 1.077 341 N HN 0.515 nan 8.380 nan 0.000 0.462 342 L N 4.980 126.162 121.223 -0.067 0.000 2.406 342 L HA 0.569 4.900 4.340 -0.016 0.000 0.272 342 L C -1.034 175.819 176.870 -0.029 0.000 0.980 342 L CA -0.629 54.160 54.840 -0.086 0.000 0.831 342 L CB 1.440 43.335 42.059 -0.273 0.000 1.253 342 L HN 0.499 nan 8.230 nan 0.000 0.406 343 I N 5.355 125.919 120.570 -0.009 0.000 2.693 343 I HA 0.713 4.873 4.170 -0.016 0.000 0.303 343 I C -0.926 175.202 176.117 0.018 0.000 1.025 343 I CA -0.684 60.617 61.300 0.001 0.000 1.086 343 I CB 2.114 40.068 38.000 -0.076 0.000 1.268 343 I HN 0.479 nan 8.210 nan 0.000 0.440 344 V N 3.251 123.204 119.914 0.066 0.000 3.078 344 V HA 1.047 5.158 4.120 -0.016 0.000 0.311 344 V C 0.025 176.161 176.094 0.069 0.000 1.138 344 V CA 0.124 62.456 62.300 0.055 0.000 1.007 344 V CB 0.721 32.613 31.823 0.115 0.000 1.045 344 V HN 1.297 nan 8.190 nan 0.000 0.432 345 G N 0.175 108.869 108.800 -0.176 0.000 2.725 345 G HA2 0.485 4.435 3.960 -0.016 0.000 0.220 345 G HA3 0.485 4.435 3.960 -0.016 0.000 0.220 345 G C 0.804 175.579 174.900 -0.209 0.000 1.357 345 G CA 0.290 45.138 45.100 -0.419 0.000 0.866 345 G HN 3.257 nan 8.290 nan 0.000 0.548 346 G N -1.672 107.048 108.800 -0.134 0.000 2.500 346 G HA2 0.524 4.474 3.960 -0.016 0.000 0.209 346 G HA3 0.524 4.474 3.960 -0.016 0.000 0.209 346 G C -0.180 174.522 174.900 -0.329 0.000 1.283 346 G CA 0.830 45.831 45.100 -0.165 0.000 0.960 346 G HN 2.346 nan 8.290 nan 0.000 0.528 347 Q N -0.368 119.091 119.800 -0.568 0.000 2.495 347 Q HA 0.730 5.060 4.340 -0.016 0.000 0.283 347 Q C 0.259 176.042 176.000 -0.361 0.000 1.097 347 Q CA -0.610 54.822 55.803 -0.617 0.000 0.836 347 Q CB 1.651 29.643 28.738 -1.243 0.000 1.426 347 Q HN 0.907 nan 8.270 nan 0.000 0.459 348 N N -0.426 118.118 118.700 -0.260 0.000 2.593 348 N HA 0.200 4.930 4.740 -0.016 0.000 0.304 348 N C 0.134 175.565 175.510 -0.131 0.000 1.296 348 N CA -0.557 52.401 53.050 -0.154 0.000 0.950 348 N CB 0.218 38.651 38.487 -0.091 0.000 1.127 348 N HN 0.510 nan 8.380 nan 0.000 0.587 349 S N -0.918 114.742 115.700 -0.066 0.000 2.447 349 S HA -0.045 4.415 4.470 -0.016 0.000 0.233 349 S C 0.860 175.439 174.600 -0.035 0.000 1.006 349 S CA 0.647 58.824 58.200 -0.037 0.000 0.957 349 S CB -0.319 62.880 63.200 -0.002 0.000 0.773 349 S HN 0.495 nan 8.310 nan 0.000 0.507 350 E N 0.244 120.421 120.200 -0.039 0.000 2.478 350 E HA 0.159 4.499 4.350 -0.016 0.000 0.194 350 E C 1.379 177.962 176.600 -0.029 0.000 1.045 350 E CA 0.485 56.874 56.400 -0.018 0.000 0.868 350 E CB -0.222 29.477 29.700 -0.002 0.000 0.885 350 E HN 0.508 nan 8.360 nan 0.000 0.505 351 G N 1.670 110.412 108.800 -0.096 0.000 2.132 351 G HA2 -0.273 3.677 3.960 -0.016 0.000 0.228 351 G HA3 -0.273 3.677 3.960 -0.016 0.000 0.228 351 G C 0.043 174.890 174.900 -0.088 0.000 1.000 351 G CA 0.212 45.224 45.100 -0.146 0.000 0.693 351 G HN 0.209 nan 8.290 nan 0.000 0.515 352 K N -0.010 120.353 120.400 -0.062 0.000 2.208 352 K HA 0.471 4.781 4.320 -0.016 0.000 0.247 352 K C -0.354 176.289 176.600 0.072 0.000 0.953 352 K CA -0.938 55.410 56.287 0.101 0.000 0.837 352 K CB 1.469 34.014 32.500 0.075 0.000 1.131 352 K HN 0.147 nan 8.250 nan 0.000 0.431 353 D N 0.616 121.218 120.400 0.336 0.000 2.472 353 D HA 0.043 4.673 4.640 -0.016 0.000 0.237 353 D C -0.128 176.188 176.300 0.027 0.000 1.141 353 D CA 0.313 54.487 54.000 0.291 0.000 0.875 353 D CB 0.831 41.830 40.800 0.332 0.000 1.192 353 D HN 0.562 nan 8.370 nan 0.000 0.450 354 A N 2.885 125.657 122.820 -0.080 0.000 2.594 354 A HA 0.206 4.516 4.320 -0.016 0.000 0.287 354 A C 0.498 177.929 177.584 -0.255 0.000 1.227 354 A CA -0.445 51.495 52.037 -0.161 0.000 0.952 354 A CB -0.059 18.834 19.000 -0.177 0.000 1.161 354 A HN 0.523 nan 8.150 nan 0.000 0.524 355 T N 2.708 117.091 114.554 -0.284 0.000 2.902 355 T HA 0.340 4.681 4.350 -0.016 0.000 0.301 355 T C 0.175 174.678 174.700 -0.329 0.000 1.012 355 T CA 0.457 62.297 62.100 -0.433 0.000 1.151 355 T CB 0.064 68.650 68.868 -0.470 0.000 0.946 355 T HN 0.823 nan 8.240 nan 0.000 0.542 356 N N 1.021 119.495 118.700 -0.377 0.000 2.774 356 N HA 0.404 5.134 4.740 -0.016 0.000 0.264 356 N C 0.568 175.965 175.510 -0.188 0.000 1.415 356 N CA -1.168 51.620 53.050 -0.437 0.000 0.815 356 N CB 0.835 38.677 38.487 -1.075 0.000 1.514 356 N HN 0.173 nan 8.380 nan 0.000 0.523 357 K N -0.285 120.053 120.400 -0.102 0.000 2.059 357 K HA -0.090 4.220 4.320 -0.016 0.000 0.212 357 K C 1.184 177.749 176.600 -0.059 0.000 1.050 357 K CA 1.996 58.300 56.287 0.028 0.000 0.927 357 K CB -0.856 31.661 32.500 0.029 0.000 0.714 357 K HN 0.442 nan 8.250 nan 0.000 0.447 358 V N 0.598 120.458 119.914 -0.090 0.000 2.594 358 V HA -0.215 3.895 4.120 -0.016 0.000 0.253 358 V C 2.092 178.168 176.094 -0.031 0.000 1.069 358 V CA 1.959 64.207 62.300 -0.086 0.000 1.082 358 V CB -0.519 31.299 31.823 -0.009 0.000 0.680 358 V HN 0.338 nan 8.190 nan 0.000 0.469 359 S N -0.880 114.770 115.700 -0.084 0.000 2.370 359 S HA -0.221 4.239 4.470 -0.016 0.000 0.226 359 S C 1.836 176.407 174.600 -0.049 0.000 1.033 359 S CA 1.806 59.948 58.200 -0.098 0.000 1.011 359 S CB -0.450 62.566 63.200 -0.307 0.000 0.852 359 S HN 0.671 nan 8.310 nan 0.000 0.457 360 Y N 1.032 121.363 120.300 0.052 0.000 2.337 360 Y HA 0.131 4.671 4.550 -0.016 0.000 0.293 360 Y C 2.431 178.301 175.900 -0.050 0.000 1.123 360 Y CA 0.631 58.757 58.100 0.043 0.000 1.201 360 Y CB -0.343 38.126 38.460 0.015 0.000 1.011 360 Y HN 0.163 nan 8.280 nan 0.000 0.545 361 M N -0.821 118.794 119.600 0.025 0.000 2.374 361 M HA -0.156 4.314 4.480 -0.016 0.000 0.264 361 M C 2.369 178.524 176.300 -0.242 0.000 1.067 361 M CA 1.254 56.479 55.300 -0.126 0.000 1.103 361 M CB -0.239 32.257 32.600 -0.174 0.000 1.402 361 M HN 0.347 nan 8.290 nan 0.000 0.444 362 A N 0.751 123.486 122.820 -0.141 0.000 1.872 362 A HA -0.081 4.229 4.320 -0.016 0.000 0.214 362 A C 2.045 179.546 177.584 -0.140 0.000 1.187 362 A CA 1.167 53.093 52.037 -0.185 0.000 0.614 362 A CB -0.768 18.316 19.000 0.140 0.000 0.826 362 A HN 0.436 nan 8.150 nan 0.000 0.442 363 L N -0.945 120.267 121.223 -0.018 0.000 2.046 363 L HA -0.191 4.139 4.340 -0.016 0.000 0.208 363 L C 2.616 179.458 176.870 -0.047 0.000 1.077 363 L CA 1.760 56.613 54.840 0.021 0.000 0.747 363 L CB -0.531 41.584 42.059 0.093 0.000 0.896 363 L HN 0.418 nan 8.230 nan 0.000 0.432 364 E N 0.488 120.639 120.200 -0.081 0.000 2.110 364 E HA -0.193 4.147 4.350 -0.016 0.000 0.193 364 E C 2.177 178.455 176.600 -0.537 0.000 0.988 364 E CA 1.330 57.611 56.400 -0.199 0.000 0.804 364 E CB -0.082 29.465 29.700 -0.256 0.000 0.745 364 E HN 0.392 nan 8.360 nan 0.000 0.458 365 A N 0.556 122.997 122.820 -0.632 0.000 1.972 365 A HA -0.074 4.236 4.320 -0.016 0.000 0.219 365 A C 2.376 179.631 177.584 -0.548 0.000 1.169 365 A CA 1.759 53.287 52.037 -0.848 0.000 0.635 365 A CB -0.844 17.117 19.000 -1.733 0.000 0.810 365 A HN 0.365 nan 8.150 nan 0.000 0.446 366 A N -0.506 122.151 122.820 -0.271 0.000 1.933 366 A HA -0.021 4.290 4.320 -0.016 0.000 0.218 366 A C 2.137 179.658 177.584 -0.105 0.000 1.175 366 A CA 1.913 53.964 52.037 0.022 0.000 0.628 366 A CB -0.746 18.282 19.000 0.048 0.000 0.814 366 A HN 0.459 nan 8.150 nan 0.000 0.444 367 V N -0.999 118.747 119.914 -0.281 0.000 2.788 367 V HA -0.170 3.940 4.120 -0.016 0.000 0.251 367 V C 2.121 178.181 176.094 -0.057 0.000 1.068 367 V CA 1.659 63.769 62.300 -0.315 0.000 1.090 367 V CB -1.154 30.208 31.823 -0.769 0.000 0.710 367 V HN 0.701 nan 8.190 nan 0.000 0.467 368 H N -0.700 118.267 119.070 -0.170 0.000 2.395 368 H HA -0.050 4.497 4.556 -0.016 0.000 0.299 368 H C 2.161 177.443 175.328 -0.076 0.000 1.070 368 H CA 1.413 57.392 56.048 -0.115 0.000 1.356 368 H CB 0.471 30.148 29.762 -0.141 0.000 1.401 368 H HN 0.304 nan 8.280 nan 0.000 0.524 369 V N -0.080 119.879 119.914 0.075 0.000 2.581 369 V HA -0.062 4.048 4.120 -0.016 0.000 0.240 369 V C 0.702 176.835 176.094 0.065 0.000 1.054 369 V CA 0.418 62.766 62.300 0.080 0.000 1.076 369 V CB 0.064 31.986 31.823 0.165 0.000 0.748 369 V HN 0.359 nan 8.190 nan 0.000 0.474 370 K N 0.351 120.791 120.400 0.066 0.000 3.150 370 K HA -0.189 4.121 4.320 -0.016 0.000 0.267 370 K C -0.535 176.096 176.600 0.052 0.000 1.028 370 K CA 0.211 56.522 56.287 0.040 0.000 0.753 370 K CB -1.607 30.898 32.500 0.009 0.000 1.288 370 K HN 0.355 nan 8.250 nan 0.000 0.473 371 L N -1.070 120.197 121.223 0.073 0.000 2.286 371 L HA 0.321 4.651 4.340 -0.016 0.000 0.265 371 L C -1.294 175.601 176.870 0.043 0.000 1.012 371 L CA -2.551 52.321 54.840 0.055 0.000 0.818 371 L CB 1.193 43.281 42.059 0.049 0.000 1.337 371 L HN -0.202 nan 8.230 nan 0.000 0.438 372 P HA -0.124 nan 4.420 nan 0.000 0.216 372 P C -0.325 176.978 177.300 0.005 0.000 1.150 372 P CA 1.206 64.329 63.100 0.039 0.000 0.837 372 P CB 0.221 31.958 31.700 0.061 0.000 0.786 373 Q N -0.761 119.017 119.800 -0.036 0.000 2.226 373 Q HA 0.354 4.684 4.340 -0.016 0.000 0.256 373 Q C -2.329 173.501 176.000 -0.283 0.000 0.962 373 Q CA -2.343 53.385 55.803 -0.124 0.000 0.887 373 Q CB 0.873 29.553 28.738 -0.096 0.000 1.282 373 Q HN 0.117 nan 8.270 nan 0.000 0.449 374 P HA 0.172 nan 4.420 nan 0.000 0.278 374 P C -0.669 176.490 177.300 -0.234 0.000 1.266 374 P CA -0.496 62.345 63.100 -0.432 0.000 0.807 374 P CB 0.706 31.961 31.700 -0.742 0.000 1.094 375 S N 0.791 116.426 115.700 -0.108 0.000 3.065 375 S HA 0.127 4.587 4.470 -0.016 0.000 0.311 375 S C 0.458 175.059 174.600 0.003 0.000 1.204 375 S CA -0.245 57.963 58.200 0.013 0.000 1.040 375 S CB -1.364 61.898 63.200 0.105 0.000 1.436 375 S HN 0.297 nan 8.310 nan 0.000 0.532 376 L N 3.874 125.095 121.223 -0.004 0.000 2.455 376 L HA 0.332 4.662 4.340 -0.016 0.000 0.272 376 L C 0.098 177.020 176.870 0.087 0.000 1.174 376 L CA 0.868 55.728 54.840 0.034 0.000 0.869 376 L CB 0.417 42.534 42.059 0.097 0.000 1.130 376 L HN 0.431 nan 8.230 nan 0.000 0.474 377 S N 3.056 118.816 115.700 0.100 0.000 2.627 377 S HA 0.861 5.321 4.470 -0.016 0.000 0.283 377 S C -1.070 173.611 174.600 0.135 0.000 1.127 377 S CA -0.412 57.897 58.200 0.182 0.000 0.863 377 S CB 2.083 65.448 63.200 0.275 0.000 1.121 377 S HN 0.718 nan 8.310 nan 0.000 0.479 378 V N -0.465 119.556 119.914 0.178 0.000 2.841 378 V HA 0.695 4.805 4.120 -0.016 0.000 0.310 378 V C -0.939 175.375 176.094 0.366 0.000 1.090 378 V CA -1.081 61.352 62.300 0.223 0.000 0.930 378 V CB 1.645 33.501 31.823 0.055 0.000 1.014 378 V HN 0.810 nan 8.190 nan 0.000 0.425 379 R N 3.469 124.175 120.500 0.344 0.000 2.404 379 R HA 0.721 5.051 4.340 -0.016 0.000 0.291 379 R C -0.998 175.584 176.300 0.471 0.000 1.025 379 R CA -0.657 55.643 56.100 0.334 0.000 0.991 379 R CB 1.475 31.820 30.300 0.075 0.000 1.053 379 R HN 0.652 nan 8.270 nan 0.000 0.479 380 I N 3.633 124.507 120.570 0.507 0.000 2.509 380 I HA 0.465 4.625 4.170 -0.016 0.000 0.293 380 I C -0.251 176.191 176.117 0.541 0.000 1.020 380 I CA -0.663 60.981 61.300 0.573 0.000 1.088 380 I CB 1.563 39.994 38.000 0.719 0.000 1.267 380 I HN 0.756 nan 8.210 nan 0.000 0.430 381 W N 5.402 126.823 121.300 0.202 0.000 3.018 381 W HA 0.416 5.066 4.660 -0.016 0.000 0.382 381 W C -0.085 176.507 176.519 0.122 0.000 1.161 381 W CA -0.731 56.691 57.345 0.129 0.000 1.144 381 W CB 0.457 29.968 29.460 0.085 0.000 1.499 381 W HN 0.512 nan 8.180 nan 0.000 0.596 382 N N 0.245 118.968 118.700 0.039 0.000 2.104 382 N HA -0.183 4.547 4.740 -0.016 0.000 0.190 382 N C 0.967 176.098 175.510 -0.632 0.000 1.024 382 N CA 1.473 54.384 53.050 -0.231 0.000 0.853 382 N CB -0.015 38.420 38.487 -0.086 0.000 1.008 382 N HN 0.204 nan 8.380 nan 0.000 0.424 383 K N 0.873 120.337 120.400 -1.561 0.000 2.570 383 K HA 0.139 4.449 4.320 -0.016 0.000 0.210 383 K C -0.407 175.639 176.600 -0.922 0.000 1.048 383 K CA -0.061 55.483 56.287 -1.239 0.000 1.167 383 K CB 0.777 32.519 32.500 -1.263 0.000 0.892 383 K HN -0.013 nan 8.250 nan 0.000 0.480 384 T N 3.797 117.924 114.554 -0.711 0.000 2.867 384 T HA 0.069 4.410 4.350 -0.016 0.000 0.297 384 T C -2.377 172.306 174.700 -0.028 0.000 0.989 384 T CA -0.850 61.166 62.100 -0.140 0.000 1.159 384 T CB 0.438 69.389 68.868 0.138 0.000 0.928 384 T HN 0.023 nan 8.240 nan 0.000 0.538 385 P HA 0.121 nan 4.420 nan 0.000 0.267 385 P C 0.582 177.969 177.300 0.145 0.000 1.205 385 P CA -0.278 62.876 63.100 0.090 0.000 0.765 385 P CB 0.511 32.287 31.700 0.127 0.000 0.828 386 D N 2.695 123.141 120.400 0.078 0.000 2.133 386 D HA -0.187 4.443 4.640 -0.016 0.000 0.195 386 D C 1.361 177.724 176.300 0.106 0.000 0.997 386 D CA 1.565 55.605 54.000 0.068 0.000 0.840 386 D CB -0.056 40.759 40.800 0.024 0.000 0.947 386 D HN 0.460 nan 8.370 nan 0.000 0.452 387 E N 0.248 120.530 120.200 0.136 0.000 2.070 387 E HA -0.170 4.170 4.350 -0.016 0.000 0.197 387 E C 1.816 178.592 176.600 0.293 0.000 1.004 387 E CA 0.519 57.020 56.400 0.169 0.000 0.805 387 E CB -0.564 29.242 29.700 0.177 0.000 0.744 387 E HN 0.299 nan 8.360 nan 0.000 0.451 388 F N 0.577 120.644 119.950 0.195 0.000 2.075 388 F HA -0.133 4.384 4.527 -0.017 0.000 0.297 388 F C 2.042 177.912 175.800 0.116 0.000 1.113 388 F CA 1.000 59.086 58.000 0.142 0.000 1.218 388 F CB -0.518 38.500 39.000 0.029 0.000 0.984 388 F HN 0.090 nan 8.300 nan 0.000 0.472 389 L N 0.326 121.603 121.223 0.089 0.000 2.046 389 L HA -0.179 4.152 4.340 -0.016 0.000 0.208 389 L C 2.154 179.015 176.870 -0.015 0.000 1.077 389 L CA 1.776 56.624 54.840 0.013 0.000 0.747 389 L CB -1.063 41.046 42.059 0.082 0.000 0.896 389 L HN 0.249 nan 8.230 nan 0.000 0.432 390 L N -1.020 120.206 121.223 0.005 0.000 2.083 390 L HA -0.199 4.131 4.340 -0.016 0.000 0.209 390 L C 2.732 179.593 176.870 -0.016 0.000 1.083 390 L CA 1.137 55.967 54.840 -0.016 0.000 0.752 390 L CB -0.478 41.572 42.059 -0.015 0.000 0.899 390 L HN 0.262 nan 8.230 nan 0.000 0.433 391 R N 0.663 121.165 120.500 0.003 0.000 2.081 391 R HA -0.123 4.208 4.340 -0.016 0.000 0.235 391 R C 2.183 178.483 176.300 0.001 0.000 1.131 391 R CA 1.694 57.806 56.100 0.019 0.000 0.960 391 R CB -0.690 29.712 30.300 0.171 0.000 0.856 391 R HN 0.319 nan 8.270 nan 0.000 0.436 392 A N 0.030 122.779 122.820 -0.118 0.000 1.933 392 A HA -0.021 4.289 4.320 -0.016 0.000 0.218 392 A C 2.332 179.971 177.584 0.091 0.000 1.175 392 A CA 1.695 53.675 52.037 -0.095 0.000 0.628 392 A CB -0.930 17.961 19.000 -0.181 0.000 0.814 392 A HN 0.457 nan 8.150 nan 0.000 0.444 393 A N -0.132 122.735 122.820 0.079 0.000 1.902 393 A HA -0.179 4.131 4.320 -0.016 0.000 0.217 393 A C 1.918 179.532 177.584 0.049 0.000 1.181 393 A CA 1.592 53.655 52.037 0.043 0.000 0.623 393 A CB -0.552 18.415 19.000 -0.056 0.000 0.818 393 A HN 0.618 nan 8.150 nan 0.000 0.443 394 E N -0.766 119.477 120.200 0.071 0.000 2.118 394 E HA -0.217 4.124 4.350 -0.016 0.000 0.195 394 E C 1.940 178.723 176.600 0.304 0.000 0.992 394 E CA 1.287 57.775 56.400 0.147 0.000 0.804 394 E CB -0.284 29.456 29.700 0.066 0.000 0.741 394 E HN 0.517 nan 8.360 nan 0.000 0.458 395 L N 1.030 122.438 121.223 0.308 0.000 2.017 395 L HA -0.149 4.181 4.340 -0.016 0.000 0.208 395 L C 2.222 179.136 176.870 0.073 0.000 1.073 395 L CA 2.000 56.934 54.840 0.157 0.000 0.745 395 L CB -0.940 41.169 42.059 0.083 0.000 0.894 395 L HN -0.012 nan 8.230 nan 0.000 0.432 396 T N -0.287 114.330 114.554 0.105 0.000 2.759 396 T HA -0.264 4.076 4.350 -0.016 0.000 0.269 396 T C 2.002 176.736 174.700 0.058 0.000 1.042 396 T CA 1.792 63.960 62.100 0.114 0.000 1.140 396 T CB -0.316 68.650 68.868 0.163 0.000 0.864 396 T HN 0.370 nan 8.240 nan 0.000 0.455 397 R N 0.849 121.371 120.500 0.037 0.000 2.152 397 R HA -0.076 4.254 4.340 -0.016 0.000 0.232 397 R C 2.070 178.385 176.300 0.024 0.000 1.117 397 R CA 0.985 57.093 56.100 0.014 0.000 0.981 397 R CB -0.036 30.272 30.300 0.013 0.000 0.870 397 R HN 0.230 nan 8.270 nan 0.000 0.451 398 E N -0.213 120.004 120.200 0.029 0.000 2.267 398 E HA -0.104 4.236 4.350 -0.016 0.000 0.197 398 E C 1.055 177.646 176.600 -0.016 0.000 0.998 398 E CA 1.185 57.577 56.400 -0.013 0.000 0.830 398 E CB -0.127 29.508 29.700 -0.108 0.000 0.751 398 E HN 0.629 nan 8.360 nan 0.000 0.491 399 G N 0.798 109.598 108.800 0.001 0.000 2.160 399 G HA2 -0.274 3.677 3.960 -0.016 0.000 0.244 399 G HA3 -0.274 3.677 3.960 -0.016 0.000 0.244 399 G C 0.738 175.638 174.900 -0.000 0.000 1.022 399 G CA 0.513 45.614 45.100 0.002 0.000 0.741 399 G HN 0.325 nan 8.290 nan 0.000 0.508 400 L N -0.369 120.856 121.223 0.004 0.000 2.567 400 L HA 0.403 4.733 4.340 -0.016 0.000 0.225 400 L C 2.261 179.146 176.870 0.026 0.000 1.119 400 L CA 0.777 55.622 54.840 0.007 0.000 0.871 400 L CB 0.034 42.091 42.059 -0.004 0.000 1.036 400 L HN 1.007 nan 8.230 nan 0.000 0.459 401 G N 0.523 109.352 108.800 0.048 0.000 2.176 401 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.253 401 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.253 401 G C 0.115 175.066 174.900 0.085 0.000 0.979 401 G CA -0.061 45.080 45.100 0.069 0.000 0.641 401 G HN 0.213 nan 8.290 nan 0.000 0.530 402 L N 1.533 122.797 121.223 0.068 0.000 2.334 402 L HA 0.676 5.007 4.340 -0.016 0.000 0.272 402 L C -1.779 175.114 176.870 0.039 0.000 1.020 402 L CA -2.423 52.447 54.840 0.050 0.000 0.812 402 L CB 2.127 44.206 42.059 0.034 0.000 1.264 402 L HN -0.029 nan 8.230 nan 0.000 0.439 403 P HA 0.357 nan 4.420 nan 0.000 0.289 403 P C -1.509 175.690 177.300 -0.167 0.000 1.300 403 P CA -0.705 62.316 63.100 -0.131 0.000 0.828 403 P CB 1.657 33.212 31.700 -0.243 0.000 1.235 404 A N 0.422 123.235 122.820 -0.011 0.000 2.301 404 A HA 0.534 4.844 4.320 -0.016 0.000 0.298 404 A C -0.915 176.656 177.584 -0.022 0.000 1.185 404 A CA -0.314 51.769 52.037 0.077 0.000 0.830 404 A CB -0.385 18.841 19.000 0.377 0.000 1.112 404 A HN 0.399 nan 8.150 nan 0.000 0.508 405 Y N 0.807 121.062 120.300 -0.075 0.000 2.323 405 Y HA 0.528 5.068 4.550 -0.017 0.000 0.331 405 Y C -0.632 175.286 175.900 0.030 0.000 1.092 405 Y CA 0.034 58.218 58.100 0.140 0.000 1.150 405 Y CB 1.111 39.670 38.460 0.166 0.000 1.200 405 Y HN 0.587 nan 8.280 nan 0.000 0.472 406 Y N 0.925 121.558 120.300 0.555 0.000 2.425 406 Y HA 0.282 4.822 4.550 -0.017 0.000 0.344 406 Y C -0.229 175.594 175.900 -0.128 0.000 0.969 406 Y CA -1.460 56.798 58.100 0.262 0.000 1.052 406 Y CB 1.550 40.172 38.460 0.269 0.000 1.215 406 Y HN 0.519 nan 8.280 nan 0.000 0.451 407 N N 2.265 120.536 118.700 -0.715 0.000 2.469 407 N HA 0.098 4.828 4.740 -0.016 0.000 0.239 407 N C 0.198 175.442 175.510 -0.444 0.000 1.053 407 N CA 0.094 52.552 53.050 -0.986 0.000 0.937 407 N CB 0.595 38.050 38.487 -1.720 0.000 1.163 407 N HN 0.625 nan 8.380 nan 0.000 0.509 408 D N 1.744 122.096 120.400 -0.082 0.000 2.133 408 D HA -0.173 4.457 4.640 -0.016 0.000 0.195 408 D C 1.150 177.405 176.300 -0.075 0.000 0.997 408 D CA 1.279 55.301 54.000 0.036 0.000 0.840 408 D CB 0.313 41.212 40.800 0.165 0.000 0.947 408 D HN 0.591 nan 8.370 nan 0.000 0.452 409 E N 0.015 120.185 120.200 -0.050 0.000 2.160 409 E HA -0.128 4.212 4.350 -0.016 0.000 0.195 409 E C 2.172 178.703 176.600 -0.114 0.000 0.991 409 E CA 0.438 56.825 56.400 -0.023 0.000 0.810 409 E CB -0.371 29.346 29.700 0.028 0.000 0.742 409 E HN 0.285 nan 8.360 nan 0.000 0.466 410 V N 0.146 119.861 119.914 -0.333 0.000 2.672 410 V HA -0.008 4.102 4.120 -0.016 0.000 0.242 410 V C 2.081 177.874 176.094 -0.502 0.000 1.059 410 V CA 0.370 62.349 62.300 -0.536 0.000 1.081 410 V CB -0.077 31.273 31.823 -0.787 0.000 0.752 410 V HN 0.089 nan 8.190 nan 0.000 0.472 411 I N 0.359 120.559 120.570 -0.617 0.000 2.208 411 I HA -0.261 3.899 4.170 -0.016 0.000 0.245 411 I C 2.391 178.261 176.117 -0.412 0.000 1.097 411 I CA 2.265 63.179 61.300 -0.644 0.000 1.363 411 I CB -0.320 37.069 38.000 -1.018 0.000 1.051 411 I HN 0.296 nan 8.210 nan 0.000 0.413 412 I N 0.695 121.084 120.570 -0.301 0.000 2.127 412 I HA -0.210 3.950 4.170 -0.016 0.000 0.241 412 I C -0.346 175.743 176.117 -0.047 0.000 1.075 412 I CA 1.785 63.000 61.300 -0.140 0.000 1.334 412 I CB -1.636 36.335 38.000 -0.048 0.000 1.040 412 I HN 0.150 nan 8.210 nan 0.000 0.405 413 P HA -0.140 nan 4.420 nan 0.000 0.217 413 P C 1.459 178.843 177.300 0.140 0.000 1.150 413 P CA 1.681 64.854 63.100 0.121 0.000 0.832 413 P CB -0.019 31.839 31.700 0.263 0.000 0.787 414 A N -0.520 122.381 122.820 0.135 0.000 1.877 414 A HA -0.177 4.133 4.320 -0.016 0.000 0.216 414 A C 2.199 179.803 177.584 0.035 0.000 1.186 414 A CA 1.506 53.627 52.037 0.140 0.000 0.620 414 A CB -1.662 17.391 19.000 0.088 0.000 0.822 414 A HN 0.110 nan 8.150 nan 0.000 0.443 415 L N -0.575 120.620 121.223 -0.047 0.000 2.056 415 L HA -0.146 4.185 4.340 -0.016 0.000 0.207 415 L C 2.517 179.365 176.870 -0.035 0.000 1.078 415 L CA 1.025 55.814 54.840 -0.085 0.000 0.749 415 L CB -0.545 41.432 42.059 -0.136 0.000 0.901 415 L HN 0.247 nan 8.230 nan 0.000 0.433 416 V N -1.039 118.872 119.914 -0.004 0.000 2.407 416 V HA -0.292 3.818 4.120 -0.016 0.000 0.248 416 V C 2.692 178.814 176.094 0.046 0.000 1.055 416 V CA 1.943 64.257 62.300 0.023 0.000 1.049 416 V CB -0.397 31.446 31.823 0.034 0.000 0.662 416 V HN 0.466 nan 8.190 nan 0.000 0.455 417 S N -0.170 115.563 115.700 0.054 0.000 2.400 417 S HA -0.194 4.266 4.470 -0.016 0.000 0.232 417 S C 1.946 176.590 174.600 0.073 0.000 1.025 417 S CA 1.189 59.427 58.200 0.063 0.000 0.993 417 S CB -0.245 63.004 63.200 0.081 0.000 0.808 417 S HN 0.465 nan 8.310 nan 0.000 0.478 418 R N 0.095 120.639 120.500 0.073 0.000 2.313 418 R HA 0.193 4.523 4.340 -0.016 0.000 0.199 418 R C 1.573 178.001 176.300 0.212 0.000 0.958 418 R CA 0.748 56.928 56.100 0.135 0.000 1.047 418 R CB -0.366 29.966 30.300 0.052 0.000 0.955 418 R HN 0.593 nan 8.270 nan 0.000 0.481 419 G N -0.045 108.838 108.800 0.139 0.000 2.211 419 G HA2 -0.182 3.768 3.960 -0.016 0.000 0.201 419 G HA3 -0.182 3.768 3.960 -0.016 0.000 0.201 419 G C 0.123 175.121 174.900 0.164 0.000 0.997 419 G CA -0.528 44.671 45.100 0.164 0.000 0.652 419 G HN 0.123 nan 8.290 nan 0.000 0.500 420 L N 2.329 123.557 121.223 0.008 0.000 2.436 420 L HA 0.472 4.802 4.340 -0.016 0.000 0.265 420 L C 1.599 178.510 176.870 0.069 0.000 1.168 420 L CA 0.193 54.971 54.840 -0.102 0.000 0.815 420 L CB 0.588 42.475 42.059 -0.287 0.000 1.109 420 L HN 0.412 nan 8.230 nan 0.000 0.462 421 T N -1.158 113.484 114.554 0.147 0.000 2.813 421 T HA 0.121 4.461 4.350 -0.016 0.000 0.297 421 T C 0.988 175.731 174.700 0.071 0.000 1.036 421 T CA -0.690 61.479 62.100 0.116 0.000 1.044 421 T CB 1.183 70.130 68.868 0.132 0.000 0.993 421 T HN 0.471 nan 8.240 nan 0.000 0.535 422 L N 0.605 121.862 121.223 0.057 0.000 2.046 422 L HA -0.022 4.309 4.340 -0.016 0.000 0.208 422 L C 2.615 179.508 176.870 0.038 0.000 1.077 422 L CA 1.778 56.642 54.840 0.040 0.000 0.747 422 L CB -1.072 41.008 42.059 0.035 0.000 0.896 422 L HN 0.839 nan 8.230 nan 0.000 0.432 423 E N -0.484 119.745 120.200 0.048 0.000 2.038 423 E HA -0.246 4.094 4.350 -0.016 0.000 0.195 423 E C 1.850 178.486 176.600 0.061 0.000 1.000 423 E CA 1.579 58.006 56.400 0.046 0.000 0.803 423 E CB -0.216 29.516 29.700 0.054 0.000 0.750 423 E HN 0.575 nan 8.360 nan 0.000 0.448 424 D N 0.277 120.734 120.400 0.094 0.000 2.117 424 D HA -0.131 4.499 4.640 -0.016 0.000 0.197 424 D C 1.877 178.226 176.300 0.082 0.000 0.987 424 D CA 1.277 55.347 54.000 0.117 0.000 0.829 424 D CB -0.274 40.644 40.800 0.196 0.000 0.961 424 D HN 0.148 nan 8.370 nan 0.000 0.460 425 A N 1.018 123.867 122.820 0.048 0.000 1.908 425 A HA -0.190 4.121 4.320 -0.016 0.000 0.218 425 A C 2.158 179.811 177.584 0.115 0.000 1.181 425 A CA 1.290 53.351 52.037 0.041 0.000 0.627 425 A CB -0.491 18.508 19.000 -0.001 0.000 0.818 425 A HN 0.135 nan 8.150 nan 0.000 0.445 426 R N -0.949 119.590 120.500 0.065 0.000 2.189 426 R HA -0.100 4.230 4.340 -0.016 0.000 0.223 426 R C 0.601 176.906 176.300 0.007 0.000 1.092 426 R CA 1.242 57.361 56.100 0.031 0.000 0.989 426 R CB -0.171 30.099 30.300 -0.049 0.000 0.876 426 R HN 0.489 nan 8.270 nan 0.000 0.457 427 D N 0.006 120.427 120.400 0.035 0.000 2.427 427 D HA -0.015 4.615 4.640 -0.016 0.000 0.224 427 D C -0.418 175.885 176.300 0.005 0.000 1.157 427 D CA -0.464 53.529 54.000 -0.012 0.000 0.828 427 D CB 0.032 40.849 40.800 0.030 0.000 0.974 427 D HN 0.128 nan 8.370 nan 0.000 0.498 428 Y N -1.035 119.247 120.300 -0.030 0.000 2.426 428 Y HA 0.523 5.063 4.550 -0.016 0.000 0.344 428 Y C 0.617 176.502 175.900 -0.025 0.000 1.256 428 Y CA -0.606 57.479 58.100 -0.024 0.000 1.451 428 Y CB 0.657 39.083 38.460 -0.056 0.000 1.342 428 Y HN -0.108 nan 8.280 nan 0.000 0.600 429 G N 2.441 111.285 108.800 0.073 0.000 2.730 429 G HA2 0.613 4.563 3.960 -0.016 0.000 0.289 429 G HA3 0.613 4.563 3.960 -0.016 0.000 0.289 429 G C -1.742 173.195 174.900 0.063 0.000 1.341 429 G CA -1.138 43.943 45.100 -0.032 0.000 0.932 429 G HN 0.609 nan 8.290 nan 0.000 0.481 430 I N 1.030 121.562 120.570 -0.064 0.000 2.377 430 I HA 0.379 4.540 4.170 -0.016 0.000 0.293 430 I C -0.415 175.654 176.117 -0.081 0.000 0.987 430 I CA -0.819 60.401 61.300 -0.133 0.000 1.185 430 I CB 1.531 39.272 38.000 -0.432 0.000 1.341 430 I HN 0.144 nan 8.210 nan 0.000 0.455 431 I N 4.514 125.019 120.570 -0.109 0.000 2.392 431 I HA 0.434 4.594 4.170 -0.016 0.000 0.295 431 I C 1.191 177.276 176.117 -0.053 0.000 0.985 431 I CA 0.126 61.381 61.300 -0.075 0.000 1.221 431 I CB 0.756 38.662 38.000 -0.156 0.000 1.366 431 I HN 0.858 nan 8.210 nan 0.000 0.467 432 G N 5.534 114.319 108.800 -0.026 0.000 2.793 432 G HA2 -0.352 3.598 3.960 -0.016 0.000 0.334 432 G HA3 -0.352 3.598 3.960 -0.016 0.000 0.334 432 G C 0.993 175.908 174.900 0.025 0.000 1.186 432 G CA 0.766 45.853 45.100 -0.021 0.000 0.960 432 G HN 0.596 nan 8.290 nan 0.000 0.562 433 C N -0.721 118.505 119.300 -0.122 0.000 2.543 433 C HA 0.499 4.950 4.460 -0.016 0.000 0.289 433 C C 2.224 177.207 174.990 -0.012 0.000 1.368 433 C CA 2.126 61.094 59.018 -0.082 0.000 1.778 433 C CB -0.295 27.238 27.740 -0.345 0.000 2.155 433 C HN 1.451 nan 8.230 nan 0.000 0.529 434 V N -1.813 118.021 119.914 -0.133 0.000 3.663 434 V HA 0.332 4.443 4.120 -0.016 0.000 0.353 434 V C -0.883 175.296 176.094 0.142 0.000 1.551 434 V CA -0.145 62.252 62.300 0.163 0.000 1.331 434 V CB -0.863 30.998 31.823 0.063 0.000 1.059 434 V HN 0.351 nan 8.190 nan 0.000 0.502 435 E N 4.749 124.944 120.200 -0.009 0.000 2.052 435 E HA 0.421 4.761 4.350 -0.016 0.000 0.283 435 E C -2.568 173.930 176.600 -0.170 0.000 1.071 435 E CA -1.680 54.691 56.400 -0.049 0.000 0.851 435 E CB 1.105 30.761 29.700 -0.074 0.000 1.066 435 E HN 0.448 nan 8.360 nan 0.000 0.396 436 P HA 0.050 nan 4.420 nan 0.000 0.278 436 P C -0.990 176.267 177.300 -0.073 0.000 1.238 436 P CA -0.451 62.634 63.100 -0.026 0.000 0.794 436 P CB 1.069 32.722 31.700 -0.078 0.000 0.955 437 Q N -0.118 119.707 119.800 0.040 0.000 2.647 437 Q HA 0.443 4.773 4.340 -0.016 0.000 0.283 437 Q C -1.483 174.615 176.000 0.164 0.000 0.943 437 Q CA -1.153 54.716 55.803 0.109 0.000 0.813 437 Q CB 0.754 29.606 28.738 0.189 0.000 1.477 437 Q HN 0.030 nan 8.270 nan 0.000 0.393 438 K N 2.082 122.584 120.400 0.169 0.000 2.292 438 K HA 0.408 4.718 4.320 -0.016 0.000 0.290 438 K C -2.563 174.171 176.600 0.224 0.000 1.083 438 K CA -1.823 54.577 56.287 0.188 0.000 0.918 438 K CB 0.667 33.284 32.500 0.196 0.000 1.089 438 K HN 0.383 nan 8.250 nan 0.000 0.473 439 P HA 0.087 nan 4.420 nan 0.000 0.266 439 P C 0.301 177.705 177.300 0.174 0.000 1.195 439 P CA 0.653 63.872 63.100 0.198 0.000 0.768 439 P CB 0.770 32.601 31.700 0.218 0.000 0.838 440 G N 1.961 110.843 108.800 0.137 0.000 2.162 440 G HA2 -0.304 3.646 3.960 -0.016 0.000 0.260 440 G HA3 -0.304 3.646 3.960 -0.016 0.000 0.260 440 G C 0.545 175.500 174.900 0.091 0.000 0.976 440 G CA 0.386 45.536 45.100 0.084 0.000 0.655 440 G HN 0.600 nan 8.290 nan 0.000 0.533 441 K N -0.581 119.910 120.400 0.151 0.000 2.582 441 K HA 0.202 4.512 4.320 -0.016 0.000 0.204 441 K C -0.165 176.559 176.600 0.208 0.000 1.221 441 K CA 0.279 56.652 56.287 0.144 0.000 1.048 441 K CB 1.298 33.913 32.500 0.192 0.000 1.011 441 K HN 0.263 nan 8.250 nan 0.000 0.597 442 T N 0.826 115.519 114.554 0.231 0.000 2.893 442 T HA 0.273 4.613 4.350 -0.016 0.000 0.293 442 T C -1.322 173.490 174.700 0.185 0.000 1.027 442 T CA -0.629 61.631 62.100 0.267 0.000 0.988 442 T CB 2.481 71.596 68.868 0.413 0.000 1.043 442 T HN -0.053 nan 8.240 nan 0.000 0.461 443 E N 1.001 121.275 120.200 0.122 0.000 2.489 443 E HA 0.521 4.861 4.350 -0.016 0.000 0.232 443 E C 0.883 177.522 176.600 0.064 0.000 0.990 443 E CA -0.521 55.924 56.400 0.076 0.000 0.768 443 E CB -0.018 29.671 29.700 -0.018 0.000 1.270 443 E HN 0.780 nan 8.360 nan 0.000 0.423 444 G N 2.327 111.169 108.800 0.071 0.000 2.603 444 G HA2 -0.113 3.838 3.960 -0.016 0.000 0.214 444 G HA3 -0.113 3.838 3.960 -0.016 0.000 0.214 444 G C -0.099 174.638 174.900 -0.271 0.000 1.140 444 G CA -0.187 44.737 45.100 -0.292 0.000 0.800 444 G HN 0.658 nan 8.290 nan 0.000 0.533 445 W N 1.135 122.253 121.300 -0.305 0.000 6.170 445 W HA -0.176 4.475 4.660 -0.015 0.000 0.394 445 W C 0.881 177.327 176.519 -0.122 0.000 1.480 445 W CA -0.084 57.177 57.345 -0.140 0.000 1.027 445 W CB -2.416 26.968 29.460 -0.126 0.000 2.638 445 W HN 0.457 nan 8.180 nan 0.000 1.547 446 H N -0.906 118.285 119.070 0.202 0.000 2.566 446 H HA -0.073 4.473 4.556 -0.016 0.000 0.285 446 H C 1.077 176.458 175.328 0.088 0.000 1.041 446 H CA 1.788 57.936 56.048 0.166 0.000 1.207 446 H CB 0.145 30.056 29.762 0.249 0.000 1.353 446 H HN 0.196 nan 8.280 nan 0.000 0.604 447 D N -0.596 119.723 120.400 -0.135 0.000 3.407 447 D HA -0.006 4.624 4.640 -0.016 0.000 0.291 447 D C 0.872 176.686 176.300 -0.810 0.000 1.309 447 D CA 0.053 53.832 54.000 -0.368 0.000 0.747 447 D CB -0.068 40.615 40.800 -0.194 0.000 1.343 447 D HN 0.076 nan 8.370 nan 0.000 0.631 448 S N -0.433 114.933 115.700 -0.557 0.000 2.522 448 S HA 0.512 4.972 4.470 -0.016 0.000 0.227 448 S C 0.903 175.239 174.600 -0.439 0.000 0.986 448 S CA 0.518 58.349 58.200 -0.615 0.000 0.929 448 S CB 0.304 63.549 63.200 0.076 0.000 0.769 448 S HN 0.567 nan 8.310 nan 0.000 0.529 449 A N -0.318 122.248 122.820 -0.423 0.000 2.489 449 A HA 0.632 4.942 4.320 -0.016 0.000 0.293 449 A C -1.896 175.452 177.584 -0.393 0.000 1.004 449 A CA -0.949 50.941 52.037 -0.245 0.000 0.626 449 A CB 0.040 19.034 19.000 -0.010 0.000 1.345 449 A HN 0.280 nan 8.150 nan 0.000 0.447 450 F N -0.022 119.979 119.950 0.084 0.000 2.507 450 F HA 0.685 5.203 4.527 -0.016 0.000 0.325 450 F C -0.523 175.519 175.800 0.404 0.000 1.116 450 F CA -0.299 57.757 58.000 0.093 0.000 0.930 450 F CB 2.118 40.997 39.000 -0.202 0.000 1.146 450 F HN 0.574 nan 8.300 nan 0.000 0.447 451 F N 3.962 124.135 119.950 0.372 0.000 2.482 451 F HA 0.410 4.927 4.527 -0.016 0.000 0.331 451 F C -0.340 175.502 175.800 0.071 0.000 1.115 451 F CA -0.770 57.357 58.000 0.212 0.000 0.955 451 F CB 1.002 40.035 39.000 0.055 0.000 1.136 451 F HN 0.324 nan 8.300 nan 0.000 0.452 452 N N 6.914 125.182 118.700 -0.719 0.000 2.521 452 N HA 0.155 4.885 4.740 -0.016 0.000 0.236 452 N C 0.789 176.000 175.510 -0.498 0.000 1.067 452 N CA 0.099 52.715 53.050 -0.724 0.000 0.939 452 N CB 0.608 38.351 38.487 -1.241 0.000 1.201 452 N HN 0.873 nan 8.380 nan 0.000 0.511 453 L N 2.289 123.445 121.223 -0.111 0.000 2.131 453 L HA -0.122 4.208 4.340 -0.016 0.000 0.210 453 L C 2.280 179.160 176.870 0.017 0.000 1.092 453 L CA 1.156 56.035 54.840 0.065 0.000 0.759 453 L CB -0.312 41.800 42.059 0.088 0.000 0.903 453 L HN 0.494 nan 8.230 nan 0.000 0.435 454 A N -0.180 122.600 122.820 -0.068 0.000 1.933 454 A HA -0.155 4.155 4.320 -0.016 0.000 0.218 454 A C 2.383 179.899 177.584 -0.112 0.000 1.175 454 A CA 1.116 53.119 52.037 -0.058 0.000 0.628 454 A CB -0.345 18.610 19.000 -0.075 0.000 0.814 454 A HN 0.230 nan 8.150 nan 0.000 0.444 455 R N -0.313 120.037 120.500 -0.251 0.000 2.120 455 R HA -0.056 4.274 4.340 -0.016 0.000 0.234 455 R C 1.831 177.999 176.300 -0.220 0.000 1.123 455 R CA 0.948 56.865 56.100 -0.306 0.000 0.975 455 R CB -0.599 29.394 30.300 -0.511 0.000 0.866 455 R HN 0.497 nan 8.270 nan 0.000 0.446 456 I N 0.265 120.750 120.570 -0.141 0.000 2.315 456 I HA -0.175 3.985 4.170 -0.016 0.000 0.248 456 I C 2.427 178.603 176.117 0.098 0.000 1.117 456 I CA 0.910 62.208 61.300 -0.003 0.000 1.404 456 I CB -1.058 37.005 38.000 0.105 0.000 1.071 456 I HN -0.133 nan 8.210 nan 0.000 0.419 457 V N 0.813 120.819 119.914 0.153 0.000 2.295 457 V HA -0.271 3.839 4.120 -0.016 0.000 0.246 457 V C 2.585 178.718 176.094 0.065 0.000 1.049 457 V CA 1.927 64.334 62.300 0.178 0.000 1.024 457 V CB -0.619 31.299 31.823 0.157 0.000 0.648 457 V HN 0.436 nan 8.190 nan 0.000 0.447 458 E N -0.018 120.180 120.200 -0.003 0.000 2.085 458 E HA -0.233 4.108 4.350 -0.016 0.000 0.194 458 E C 2.135 178.710 176.600 -0.042 0.000 0.994 458 E CA 1.438 57.811 56.400 -0.044 0.000 0.801 458 E CB -0.132 29.512 29.700 -0.094 0.000 0.743 458 E HN 0.568 nan 8.360 nan 0.000 0.453 459 L N 0.162 121.357 121.223 -0.046 0.000 2.376 459 L HA -0.077 4.253 4.340 -0.016 0.000 0.219 459 L C 2.334 179.202 176.870 -0.005 0.000 1.133 459 L CA 0.889 55.721 54.840 -0.014 0.000 0.816 459 L CB -0.123 41.936 42.059 0.000 0.000 0.933 459 L HN 0.188 nan 8.230 nan 0.000 0.449 460 T N -0.107 114.419 114.554 -0.047 0.000 2.851 460 T HA -0.040 4.300 4.350 -0.016 0.000 0.262 460 T C 1.940 176.539 174.700 -0.169 0.000 1.043 460 T CA 0.950 62.954 62.100 -0.160 0.000 1.140 460 T CB -0.005 68.640 68.868 -0.372 0.000 0.872 460 T HN 0.170 nan 8.240 nan 0.000 0.446 461 I N 1.660 122.138 120.570 -0.153 0.000 2.286 461 I HA -0.110 4.050 4.170 -0.016 0.000 0.248 461 I C 1.401 177.517 176.117 -0.001 0.000 1.115 461 I CA 0.941 62.103 61.300 -0.231 0.000 1.392 461 I CB -0.168 37.697 38.000 -0.225 0.000 1.065 461 I HN 0.163 nan 8.210 nan 0.000 0.418 462 N N 0.621 119.338 118.700 0.029 0.000 2.279 462 N HA 0.070 4.800 4.740 -0.016 0.000 0.226 462 N C 0.134 175.718 175.510 0.122 0.000 1.126 462 N CA 0.132 53.240 53.050 0.098 0.000 0.846 462 N CB 0.559 39.105 38.487 0.098 0.000 1.050 462 N HN -0.004 nan 8.380 nan 0.000 0.502 463 S N -0.090 115.662 115.700 0.087 0.000 3.549 463 S HA -0.207 4.253 4.470 -0.016 0.000 0.366 463 S C 1.306 175.963 174.600 0.095 0.000 1.012 463 S CA 0.846 59.092 58.200 0.076 0.000 1.141 463 S CB -1.591 61.652 63.200 0.072 0.000 0.910 463 S HN 0.771 nan 8.310 nan 0.000 0.471 464 G N -0.603 108.257 108.800 0.099 0.000 2.184 464 G HA2 -0.340 3.610 3.960 -0.016 0.000 0.264 464 G HA3 -0.340 3.610 3.960 -0.016 0.000 0.264 464 G C -0.063 174.935 174.900 0.163 0.000 0.975 464 G CA 0.398 45.570 45.100 0.120 0.000 0.642 464 G HN 0.791 nan 8.290 nan 0.000 0.536 465 F N 1.698 121.648 119.950 -0.000 0.000 2.404 465 F HA 0.621 5.138 4.527 -0.017 0.000 0.345 465 F C 0.086 175.875 175.800 -0.018 0.000 1.110 465 F CA -1.030 56.966 58.000 -0.007 0.000 1.130 465 F CB 1.502 40.499 39.000 -0.005 0.000 1.129 465 F HN 0.132 nan 8.300 nan 0.000 0.500 466 D N 3.837 123.948 120.400 -0.482 0.000 2.977 466 D HA 0.270 4.900 4.640 -0.016 0.000 0.220 466 D C -1.226 174.798 176.300 -0.458 0.000 1.267 466 D CA -0.512 53.279 54.000 -0.348 0.000 0.884 466 D CB 0.962 41.636 40.800 -0.211 0.000 1.667 466 D HN 0.568 nan 8.370 nan 0.000 0.536 467 K N 2.987 123.190 120.400 -0.329 0.000 3.148 467 K HA -0.270 4.040 4.320 -0.016 0.000 0.267 467 K C -0.185 176.211 176.600 -0.340 0.000 0.996 467 K CA 0.580 56.711 56.287 -0.261 0.000 0.737 467 K CB -1.249 31.134 32.500 -0.196 0.000 1.308 467 K HN 0.647 nan 8.250 nan 0.000 0.470 468 N N -0.701 117.687 118.700 -0.519 0.000 2.741 468 N HA -0.187 4.543 4.740 -0.016 0.000 0.251 468 N C -0.748 174.441 175.510 -0.535 0.000 1.112 468 N CA 2.232 55.021 53.050 -0.434 0.000 0.750 468 N CB -0.476 37.976 38.487 -0.058 0.000 1.119 468 N HN 0.777 nan 8.380 nan 0.000 0.561 469 K N -0.893 118.977 120.400 -0.883 0.000 2.468 469 K HA 0.465 4.775 4.320 -0.016 0.000 0.252 469 K C -0.454 175.892 176.600 -0.422 0.000 0.932 469 K CA -0.908 55.130 56.287 -0.414 0.000 0.794 469 K CB 1.762 34.133 32.500 -0.215 0.000 1.241 469 K HN -0.208 nan 8.250 nan 0.000 0.428 470 Q N 3.441 123.251 119.800 0.017 0.000 2.452 470 Q HA 0.154 4.484 4.340 -0.016 0.000 0.230 470 Q C 0.444 176.459 176.000 0.026 0.000 1.180 470 Q CA -0.124 55.773 55.803 0.157 0.000 0.914 470 Q CB 0.069 28.935 28.738 0.213 0.000 1.408 470 Q HN 0.842 nan 8.270 nan 0.000 0.520 471 I N -0.365 120.211 120.570 0.009 0.000 3.030 471 I HA 0.411 4.572 4.170 -0.016 0.000 0.270 471 I C 0.864 177.067 176.117 0.143 0.000 1.211 471 I CA 0.135 61.480 61.300 0.074 0.000 1.479 471 I CB 0.344 38.396 38.000 0.086 0.000 1.105 471 I HN 0.407 nan 8.210 nan 0.000 0.447 472 G N 0.883 109.743 108.800 0.099 0.000 2.932 472 G HA2 0.618 4.568 3.960 -0.016 0.000 0.283 472 G HA3 0.618 4.568 3.960 -0.016 0.000 0.283 472 G C -2.966 171.745 174.900 -0.315 0.000 1.336 472 G CA -1.614 43.432 45.100 -0.090 0.000 1.056 472 G HN -0.057 nan 8.290 nan 0.000 0.522 473 P HA 0.157 nan 4.420 nan 0.000 0.269 473 P C -0.499 176.728 177.300 -0.122 0.000 1.215 473 P CA -0.113 62.798 63.100 -0.316 0.000 0.780 473 P CB 0.636 32.185 31.700 -0.252 0.000 0.898 474 K N 2.252 122.600 120.400 -0.086 0.000 2.142 474 K HA 0.160 4.470 4.320 -0.016 0.000 0.250 474 K C -0.101 176.484 176.600 -0.024 0.000 1.148 474 K CA -0.256 56.011 56.287 -0.032 0.000 1.040 474 K CB -0.591 31.893 32.500 -0.028 0.000 1.569 474 K HN 0.502 nan 8.250 nan 0.000 0.361 475 T N -0.203 114.343 114.554 -0.014 0.000 2.788 475 T HA 0.006 4.346 4.350 -0.016 0.000 0.287 475 T C 0.323 175.033 174.700 0.016 0.000 1.007 475 T CA -0.815 61.281 62.100 -0.008 0.000 1.005 475 T CB 0.944 69.802 68.868 -0.017 0.000 1.012 475 T HN 0.599 nan 8.240 nan 0.000 0.530 476 Q N 0.949 120.763 119.800 0.024 0.000 2.304 476 Q HA -0.091 4.239 4.340 -0.016 0.000 0.315 476 Q C -0.298 175.759 176.000 0.094 0.000 1.075 476 Q CA 0.310 56.144 55.803 0.051 0.000 0.988 476 Q CB -0.084 28.689 28.738 0.058 0.000 1.146 476 Q HN 0.660 nan 8.270 nan 0.000 0.383 477 N N 4.111 122.864 118.700 0.089 0.000 2.447 477 N HA -0.060 4.670 4.740 -0.016 0.000 0.263 477 N C 0.222 175.862 175.510 0.216 0.000 1.226 477 N CA -0.183 52.941 53.050 0.124 0.000 0.906 477 N CB 0.335 38.864 38.487 0.070 0.000 1.060 477 N HN 0.617 nan 8.380 nan 0.000 0.468 478 F N 2.624 122.636 119.950 0.104 0.000 2.120 478 F HA -0.263 4.254 4.527 -0.017 0.000 0.300 478 F C 1.788 177.681 175.800 0.154 0.000 1.095 478 F CA 1.396 59.503 58.000 0.178 0.000 1.249 478 F CB 0.231 39.351 39.000 0.201 0.000 0.995 478 F HN 0.567 nan 8.300 nan 0.000 0.480 479 E N 0.406 120.625 120.200 0.031 0.000 2.171 479 E HA -0.250 4.090 4.350 -0.016 0.000 0.197 479 E C 1.530 178.081 176.600 -0.082 0.000 0.997 479 E CA 1.802 58.142 56.400 -0.100 0.000 0.810 479 E CB -0.271 29.419 29.700 -0.017 0.000 0.738 479 E HN 0.610 nan 8.360 nan 0.000 0.467 480 E N -0.221 119.979 120.200 -0.000 0.000 2.479 480 E HA 0.100 4.440 4.350 -0.016 0.000 0.193 480 E C 0.006 176.643 176.600 0.061 0.000 1.049 480 E CA -0.195 56.218 56.400 0.022 0.000 0.870 480 E CB 0.146 29.867 29.700 0.035 0.000 0.944 480 E HN 0.265 nan 8.360 nan 0.000 0.492 481 M N 0.961 120.622 119.600 0.101 0.000 2.228 481 M HA 0.110 4.581 4.480 -0.016 0.000 0.351 481 M C 0.843 177.315 176.300 0.287 0.000 1.233 481 M CA 0.725 56.157 55.300 0.220 0.000 1.129 481 M CB 0.787 33.639 32.600 0.421 0.000 1.604 481 M HN -0.123 nan 8.290 nan 0.000 0.457 482 K N 0.371 120.911 120.400 0.233 0.000 2.412 482 K HA 0.136 4.446 4.320 -0.016 0.000 0.202 482 K C -0.018 176.706 176.600 0.207 0.000 1.102 482 K CA 0.043 56.470 56.287 0.234 0.000 1.027 482 K CB 0.788 33.356 32.500 0.114 0.000 0.931 482 K HN 0.770 nan 8.250 nan 0.000 0.557 483 S N -1.099 114.561 115.700 -0.066 0.000 2.564 483 S HA 0.270 4.730 4.470 -0.016 0.000 0.274 483 S C 0.147 174.226 174.600 -0.868 0.000 1.124 483 S CA -0.857 57.143 58.200 -0.334 0.000 0.869 483 S CB 1.004 64.138 63.200 -0.110 0.000 1.105 483 S HN 0.077 nan 8.310 nan 0.000 0.472 484 F N 1.894 121.233 119.950 -1.018 0.000 2.269 484 F HA -0.016 4.502 4.527 -0.015 0.000 0.301 484 F C 1.565 177.219 175.800 -0.244 0.000 1.082 484 F CA 1.533 59.081 58.000 -0.753 0.000 1.360 484 F CB -0.399 38.415 39.000 -0.309 0.000 1.041 484 F HN 0.711 nan 8.300 nan 0.000 0.512 485 D N 0.355 120.620 120.400 -0.225 0.000 2.117 485 D HA -0.192 4.438 4.640 -0.016 0.000 0.197 485 D C 2.050 178.247 176.300 -0.171 0.000 0.987 485 D CA 1.558 55.446 54.000 -0.186 0.000 0.829 485 D CB -0.348 40.404 40.800 -0.080 0.000 0.961 485 D HN 0.483 nan 8.370 nan 0.000 0.460 486 E N -0.200 119.920 120.200 -0.132 0.000 2.160 486 E HA -0.170 4.170 4.350 -0.016 0.000 0.195 486 E C 1.909 178.503 176.600 -0.011 0.000 0.991 486 E CA 0.454 56.826 56.400 -0.047 0.000 0.810 486 E CB -0.172 29.533 29.700 0.007 0.000 0.742 486 E HN 0.245 nan 8.360 nan 0.000 0.466 487 F N 0.909 120.748 119.950 -0.185 0.000 2.113 487 F HA -0.176 4.342 4.527 -0.015 0.000 0.297 487 F C 2.175 177.871 175.800 -0.175 0.000 1.103 487 F CA 1.115 59.061 58.000 -0.091 0.000 1.248 487 F CB 0.063 39.039 39.000 -0.040 0.000 0.999 487 F HN -0.052 nan 8.300 nan 0.000 0.475 488 M N 0.391 119.849 119.600 -0.238 0.000 2.213 488 M HA -0.185 4.285 4.480 -0.016 0.000 0.263 488 M C 2.171 178.441 176.300 -0.050 0.000 1.062 488 M CA 1.406 56.596 55.300 -0.183 0.000 1.105 488 M CB -1.240 31.179 32.600 -0.301 0.000 1.385 488 M HN 0.204 nan 8.290 nan 0.000 0.417 489 K N 0.174 120.523 120.400 -0.085 0.000 2.062 489 K HA -0.048 4.262 4.320 -0.016 0.000 0.205 489 K C 1.955 178.520 176.600 -0.059 0.000 1.051 489 K CA 1.338 57.594 56.287 -0.053 0.000 0.941 489 K CB 0.055 32.527 32.500 -0.048 0.000 0.719 489 K HN 0.196 nan 8.250 nan 0.000 0.440 490 A N 0.464 123.224 122.820 -0.099 0.000 1.930 490 A HA -0.188 4.122 4.320 -0.016 0.000 0.217 490 A C 2.037 179.551 177.584 -0.118 0.000 1.175 490 A CA 1.312 53.281 52.037 -0.114 0.000 0.627 490 A CB -0.874 18.033 19.000 -0.155 0.000 0.815 490 A HN 0.593 nan 8.150 nan 0.000 0.443 491 Y N 0.748 120.853 120.300 -0.325 0.000 2.165 491 Y HA -0.226 4.314 4.550 -0.016 0.000 0.286 491 Y C 2.272 178.125 175.900 -0.077 0.000 1.155 491 Y CA 2.338 60.289 58.100 -0.249 0.000 1.164 491 Y CB -0.271 38.028 38.460 -0.268 0.000 0.978 491 Y HN 0.322 nan 8.280 nan 0.000 0.513 492 K N -0.013 120.315 120.400 -0.120 0.000 2.057 492 K HA -0.099 4.211 4.320 -0.016 0.000 0.206 492 K C 2.289 178.824 176.600 -0.108 0.000 1.050 492 K CA 1.115 57.308 56.287 -0.156 0.000 0.935 492 K CB -0.412 32.059 32.500 -0.049 0.000 0.715 492 K HN 0.354 nan 8.250 nan 0.000 0.439 493 A N 1.075 123.857 122.820 -0.064 0.000 1.902 493 A HA -0.198 4.113 4.320 -0.016 0.000 0.217 493 A C 2.089 179.684 177.584 0.019 0.000 1.181 493 A CA 1.379 53.401 52.037 -0.025 0.000 0.623 493 A CB -0.515 18.468 19.000 -0.028 0.000 0.818 493 A HN 0.364 nan 8.150 nan 0.000 0.443 494 Q N -1.405 118.408 119.800 0.022 0.000 2.050 494 Q HA -0.192 4.139 4.340 -0.016 0.000 0.202 494 Q C 2.082 178.242 176.000 0.267 0.000 0.980 494 Q CA 1.794 57.694 55.803 0.163 0.000 0.840 494 Q CB -0.553 28.269 28.738 0.141 0.000 0.898 494 Q HN 0.677 nan 8.270 nan 0.000 0.424 495 M N 1.249 120.885 119.600 0.061 0.000 2.080 495 M HA -0.214 4.256 4.480 -0.016 0.000 0.260 495 M C 1.950 178.298 176.300 0.081 0.000 1.068 495 M CA 1.895 57.235 55.300 0.066 0.000 1.109 495 M CB -0.346 32.129 32.600 -0.209 0.000 1.342 495 M HN 0.271 nan 8.290 nan 0.000 0.405 496 E N -1.532 118.679 120.200 0.018 0.000 2.058 496 E HA -0.285 4.055 4.350 -0.016 0.000 0.194 496 E C 2.056 178.670 176.600 0.024 0.000 0.997 496 E CA 1.712 58.113 56.400 0.002 0.000 0.801 496 E CB -0.498 29.199 29.700 -0.005 0.000 0.746 496 E HN 0.664 nan 8.360 nan 0.000 0.450 497 Y N 0.027 120.292 120.300 -0.058 0.000 2.097 497 Y HA -0.245 4.294 4.550 -0.018 0.000 0.282 497 Y C 1.838 177.669 175.900 -0.114 0.000 1.152 497 Y CA 2.165 60.176 58.100 -0.149 0.000 1.136 497 Y CB -0.502 37.778 38.460 -0.300 0.000 0.975 497 Y HN 0.070 nan 8.280 nan 0.000 0.498 498 F N -1.278 118.816 119.950 0.240 0.000 2.206 498 F HA -0.144 4.374 4.527 -0.014 0.000 0.298 498 F C 2.380 178.253 175.800 0.121 0.000 1.090 498 F CA 1.231 59.419 58.000 0.313 0.000 1.323 498 F CB -0.968 38.362 39.000 0.549 0.000 1.028 498 F HN -0.134 nan 8.300 nan 0.000 0.492 499 V N 0.294 120.258 119.914 0.083 0.000 2.427 499 V HA -0.280 3.830 4.120 -0.016 0.000 0.248 499 V C 2.518 178.258 176.094 -0.590 0.000 1.051 499 V CA 1.770 63.864 62.300 -0.343 0.000 1.048 499 V CB -0.566 30.978 31.823 -0.466 0.000 0.666 499 V HN 0.281 nan 8.190 nan 0.000 0.456 500 K N -0.574 119.536 120.400 -0.483 0.000 2.009 500 K HA -0.232 4.078 4.320 -0.016 0.000 0.210 500 K C 2.214 178.432 176.600 -0.638 0.000 1.049 500 K CA 1.830 57.751 56.287 -0.610 0.000 0.929 500 K CB -0.279 31.981 32.500 -0.400 0.000 0.714 500 K HN 0.516 nan 8.250 nan 0.000 0.440 501 H N 0.268 119.110 119.070 -0.380 0.000 2.423 501 H HA -0.099 4.447 4.556 -0.015 0.000 0.297 501 H C 2.056 177.249 175.328 -0.226 0.000 1.075 501 H CA 1.546 57.461 56.048 -0.222 0.000 1.342 501 H CB -0.092 29.599 29.762 -0.118 0.000 1.395 501 H HN 0.371 nan 8.280 nan 0.000 0.530 502 M N 0.002 119.307 119.600 -0.493 0.000 2.086 502 M HA -0.165 4.305 4.480 -0.016 0.000 0.261 502 M C 2.269 178.310 176.300 -0.432 0.000 1.067 502 M CA 1.580 56.315 55.300 -0.941 0.000 1.116 502 M CB -0.213 31.601 32.600 -1.311 0.000 1.348 502 M HN 0.182 nan 8.290 nan 0.000 0.407 503 C N 0.017 118.967 119.300 -0.584 0.000 2.446 503 C HA -0.129 4.321 4.460 -0.016 0.000 0.277 503 C C 2.859 177.667 174.990 -0.303 0.000 1.275 503 C CA 0.701 59.352 59.018 -0.611 0.000 1.727 503 C CB -1.404 25.413 27.740 -1.538 0.000 2.010 503 C HN 0.746 nan 8.230 nan 0.000 0.486 504 C N 0.891 120.014 119.300 -0.295 0.000 2.435 504 C HA -0.001 4.449 4.460 -0.016 0.000 0.279 504 C C 3.089 178.104 174.990 0.042 0.000 1.321 504 C CA 1.080 60.041 59.018 -0.094 0.000 1.752 504 C CB -1.506 26.175 27.740 -0.098 0.000 1.959 504 C HN 0.706 nan 8.230 nan 0.000 0.500 505 A N 0.593 123.459 122.820 0.075 0.000 1.933 505 A HA -0.192 4.118 4.320 -0.016 0.000 0.218 505 A C 1.824 179.546 177.584 0.230 0.000 1.175 505 A CA 2.009 54.153 52.037 0.179 0.000 0.628 505 A CB -0.545 18.601 19.000 0.243 0.000 0.814 505 A HN 0.499 nan 8.150 nan 0.000 0.444 506 D N 0.176 120.718 120.400 0.235 0.000 2.117 506 D HA -0.120 4.510 4.640 -0.016 0.000 0.197 506 D C 1.614 178.145 176.300 0.385 0.000 0.987 506 D CA 1.093 55.342 54.000 0.414 0.000 0.829 506 D CB -0.274 40.825 40.800 0.498 0.000 0.961 506 D HN 0.361 nan 8.370 nan 0.000 0.460 507 N N -0.134 118.702 118.700 0.228 0.000 2.244 507 N HA -0.097 4.633 4.740 -0.016 0.000 0.183 507 N C 1.923 177.481 175.510 0.080 0.000 1.016 507 N CA 0.416 53.524 53.050 0.097 0.000 0.866 507 N CB -0.544 37.977 38.487 0.057 0.000 0.980 507 N HN 0.232 nan 8.380 nan 0.000 0.430 508 C N 0.743 120.124 119.300 0.135 0.000 2.440 508 C HA 0.062 4.512 4.460 -0.016 0.000 0.278 508 C C 2.713 177.849 174.990 0.244 0.000 1.295 508 C CA 0.048 59.155 59.018 0.148 0.000 1.738 508 C CB -0.952 26.924 27.740 0.227 0.000 1.987 508 C HN 0.395 nan 8.230 nan 0.000 0.492 509 I N 0.432 121.209 120.570 0.344 0.000 2.353 509 I HA -0.161 3.999 4.170 -0.016 0.000 0.248 509 I C 2.429 178.877 176.117 0.552 0.000 1.119 509 I CA 1.395 62.966 61.300 0.451 0.000 1.417 509 I CB -0.621 37.707 38.000 0.546 0.000 1.078 509 I HN 0.340 nan 8.210 nan 0.000 0.421 510 D N 1.461 122.162 120.400 0.501 0.000 2.104 510 D HA -0.180 4.450 4.640 -0.016 0.000 0.194 510 D C 2.226 178.618 176.300 0.154 0.000 0.994 510 D CA 1.533 55.657 54.000 0.207 0.000 0.830 510 D CB 0.021 40.605 40.800 -0.360 0.000 0.959 510 D HN 0.309 nan 8.370 nan 0.000 0.452 511 I N 0.714 121.320 120.570 0.059 0.000 2.315 511 I HA -0.208 3.952 4.170 -0.016 0.000 0.248 511 I C 2.564 178.758 176.117 0.129 0.000 1.117 511 I CA 0.783 62.074 61.300 -0.016 0.000 1.404 511 I CB -0.221 37.603 38.000 -0.293 0.000 1.071 511 I HN -0.054 nan 8.210 nan 0.000 0.419 512 A N 0.211 123.164 122.820 0.222 0.000 1.902 512 A HA -0.229 4.081 4.320 -0.016 0.000 0.217 512 A C 2.237 179.914 177.584 0.155 0.000 1.181 512 A CA 1.467 53.640 52.037 0.228 0.000 0.623 512 A CB -0.835 18.271 19.000 0.176 0.000 0.818 512 A HN 0.391 nan 8.150 nan 0.000 0.443 513 H N -0.543 118.666 119.070 0.232 0.000 2.357 513 H HA -0.012 4.534 4.556 -0.017 0.000 0.301 513 H C 2.553 177.993 175.328 0.187 0.000 1.082 513 H CA 1.456 57.641 56.048 0.228 0.000 1.342 513 H CB -0.315 29.591 29.762 0.240 0.000 1.389 513 H HN 0.516 nan 8.280 nan 0.000 0.511 514 A N 0.706 123.681 122.820 0.257 0.000 1.930 514 A HA -0.163 4.147 4.320 -0.016 0.000 0.217 514 A C 2.313 179.984 177.584 0.146 0.000 1.175 514 A CA 1.656 53.785 52.037 0.155 0.000 0.627 514 A CB -0.289 18.751 19.000 0.068 0.000 0.815 514 A HN 0.459 nan 8.150 nan 0.000 0.443 515 E N -1.011 119.285 120.200 0.160 0.000 2.216 515 E HA -0.035 4.305 4.350 -0.016 0.000 0.192 515 E C 1.858 178.558 176.600 0.167 0.000 0.988 515 E CA 0.596 57.090 56.400 0.157 0.000 0.834 515 E CB 0.088 29.906 29.700 0.197 0.000 0.772 515 E HN 0.562 nan 8.360 nan 0.000 0.479 516 R N -1.499 119.115 120.500 0.190 0.000 2.469 516 R HA 0.307 4.638 4.340 -0.016 0.000 0.250 516 R C 0.067 176.526 176.300 0.265 0.000 0.909 516 R CA 0.524 56.753 56.100 0.216 0.000 1.050 516 R CB 1.479 31.895 30.300 0.194 0.000 1.256 516 R HN -0.079 nan 8.270 nan 0.000 0.550 517 A N 2.202 125.191 122.820 0.283 0.000 2.992 517 A HA 0.305 4.615 4.320 -0.016 0.000 0.263 517 A C -2.576 175.204 177.584 0.326 0.000 0.928 517 A CA -1.101 51.143 52.037 0.345 0.000 1.061 517 A CB 0.288 19.583 19.000 0.492 0.000 1.173 517 A HN -0.115 nan 8.150 nan 0.000 0.482 518 P HA 0.236 nan 4.420 nan 0.000 0.271 518 P C -0.502 176.942 177.300 0.240 0.000 1.220 518 P CA 0.288 63.521 63.100 0.220 0.000 0.768 518 P CB 1.001 32.812 31.700 0.184 0.000 0.848 519 L N 6.583 127.942 121.223 0.227 0.000 2.268 519 L HA 0.228 4.558 4.340 -0.016 0.000 0.289 519 L C -1.400 175.617 176.870 0.244 0.000 1.064 519 L CA -2.024 52.951 54.840 0.225 0.000 0.824 519 L CB 1.213 43.386 42.059 0.190 0.000 1.202 519 L HN 0.180 nan 8.230 nan 0.000 0.433 520 P HA -0.179 nan 4.420 nan 0.000 0.216 520 P C 1.466 178.821 177.300 0.092 0.000 1.153 520 P CA 1.134 64.300 63.100 0.109 0.000 0.848 520 P CB 0.199 31.921 31.700 0.036 0.000 0.787 521 F N -0.140 119.804 119.950 -0.010 0.000 2.084 521 F HA -0.128 4.389 4.527 -0.016 0.000 0.296 521 F C 2.107 177.903 175.800 -0.007 0.000 1.111 521 F CA 0.955 58.934 58.000 -0.035 0.000 1.224 521 F CB -0.797 38.166 39.000 -0.061 0.000 0.991 521 F HN -0.263 nan 8.300 nan 0.000 0.471 522 L N 0.114 121.342 121.223 0.010 0.000 2.012 522 L HA -0.212 4.118 4.340 -0.016 0.000 0.210 522 L C 2.449 179.256 176.870 -0.104 0.000 1.073 522 L CA 2.065 56.837 54.840 -0.112 0.000 0.748 522 L CB -0.990 41.078 42.059 0.016 0.000 0.891 522 L HN 0.103 nan 8.230 nan 0.000 0.431 523 S N -0.732 114.985 115.700 0.028 0.000 2.400 523 S HA -0.197 4.263 4.470 -0.016 0.000 0.232 523 S C 2.011 176.660 174.600 0.082 0.000 1.025 523 S CA 1.337 59.603 58.200 0.110 0.000 0.993 523 S CB -0.606 62.789 63.200 0.325 0.000 0.808 523 S HN 0.780 nan 8.310 nan 0.000 0.478 524 S N 0.860 116.546 115.700 -0.023 0.000 2.507 524 S HA 0.095 4.555 4.470 -0.016 0.000 0.235 524 S C 1.274 175.811 174.600 -0.105 0.000 0.988 524 S CA 0.602 58.763 58.200 -0.064 0.000 0.944 524 S CB -0.406 62.712 63.200 -0.137 0.000 0.762 524 S HN 0.486 nan 8.310 nan 0.000 0.526 525 M N 1.477 120.978 119.600 -0.166 0.000 2.404 525 M HA 0.343 4.813 4.480 -0.016 0.000 0.271 525 M C -1.040 175.193 176.300 -0.111 0.000 1.128 525 M CA -0.056 55.139 55.300 -0.175 0.000 0.982 525 M CB 1.255 33.672 32.600 -0.304 0.000 1.445 525 M HN 0.054 nan 8.290 nan 0.000 0.495 526 V N 0.028 119.909 119.914 -0.055 0.000 2.531 526 V HA 0.277 4.387 4.120 -0.016 0.000 0.301 526 V C -0.488 175.604 176.094 -0.005 0.000 1.034 526 V CA -1.223 61.066 62.300 -0.019 0.000 0.865 526 V CB 1.788 33.608 31.823 -0.004 0.000 0.995 526 V HN 0.081 nan 8.190 nan 0.000 0.424 527 D N 3.425 123.824 120.400 -0.002 0.000 2.571 527 D HA 0.037 4.667 4.640 -0.016 0.000 0.231 527 D C 1.080 177.359 176.300 -0.036 0.000 1.133 527 D CA 1.533 55.525 54.000 -0.014 0.000 0.862 527 D CB 0.074 40.864 40.800 -0.016 0.000 1.179 527 D HN 0.847 nan 8.370 nan 0.000 0.474 528 N N -0.002 118.682 118.700 -0.028 0.000 2.920 528 N HA -0.255 4.475 4.740 -0.016 0.000 0.199 528 N C 1.034 176.533 175.510 -0.019 0.000 0.997 528 N CA 0.887 53.914 53.050 -0.039 0.000 1.034 528 N CB -1.245 37.191 38.487 -0.085 0.000 0.977 528 N HN 0.387 nan 8.380 nan 0.000 0.579 529 C N 1.334 120.637 119.300 0.004 0.000 2.393 529 C HA -0.093 4.358 4.460 -0.016 0.000 0.276 529 C C 2.652 177.755 174.990 0.189 0.000 1.215 529 C CA 1.152 60.194 59.018 0.039 0.000 1.743 529 C CB -1.116 26.700 27.740 0.127 0.000 2.044 529 C HN 0.404 nan 8.230 nan 0.000 0.464 530 I N 0.799 121.496 120.570 0.212 0.000 2.252 530 I HA -0.094 4.066 4.170 -0.016 0.000 0.245 530 I C 2.704 178.914 176.117 0.154 0.000 1.102 530 I CA 1.765 63.201 61.300 0.227 0.000 1.385 530 I CB -0.934 37.132 38.000 0.110 0.000 1.064 530 I HN 0.468 nan 8.210 nan 0.000 0.414 531 G N 0.876 109.728 108.800 0.086 0.000 2.422 531 G HA2 -0.183 3.767 3.960 -0.016 0.000 0.218 531 G HA3 -0.183 3.767 3.960 -0.016 0.000 0.218 531 G C 1.704 176.638 174.900 0.057 0.000 1.146 531 G CA 0.507 45.643 45.100 0.059 0.000 0.769 531 G HN 0.183 nan 8.290 nan 0.000 0.547 532 K N 0.196 120.610 120.400 0.023 0.000 2.361 532 K HA 0.114 4.424 4.320 -0.016 0.000 0.196 532 K C 1.636 178.229 176.600 -0.011 0.000 1.039 532 K CA 0.627 56.903 56.287 -0.018 0.000 1.001 532 K CB -0.032 32.417 32.500 -0.084 0.000 0.795 532 K HN 0.394 nan 8.250 nan 0.000 0.495 533 G N 2.383 111.219 108.800 0.060 0.000 2.221 533 G HA2 -0.288 3.662 3.960 -0.016 0.000 0.265 533 G HA3 -0.288 3.662 3.960 -0.016 0.000 0.265 533 G C -0.315 174.437 174.900 -0.246 0.000 1.041 533 G CA 0.451 45.651 45.100 0.166 0.000 0.807 533 G HN 0.290 nan 8.290 nan 0.000 0.502 534 K N 0.022 120.027 120.400 -0.658 0.000 2.426 534 K HA 0.613 4.923 4.320 -0.016 0.000 0.251 534 K C 0.653 176.496 176.600 -1.261 0.000 0.941 534 K CA -0.176 55.560 56.287 -0.918 0.000 0.808 534 K CB 1.915 34.164 32.500 -0.418 0.000 1.265 534 K HN 0.383 nan 8.250 nan 0.000 0.432 535 S N 1.353 116.402 115.700 -1.084 0.000 2.617 535 S HA 0.094 4.554 4.470 -0.016 0.000 0.259 535 S C 1.155 175.634 174.600 -0.203 0.000 1.301 535 S CA -0.503 57.427 58.200 -0.449 0.000 0.984 535 S CB 0.386 63.547 63.200 -0.064 0.000 0.954 535 S HN 0.476 nan 8.310 nan 0.000 0.572 536 L N 0.759 121.954 121.223 -0.047 0.000 2.056 536 L HA 0.007 4.337 4.340 -0.016 0.000 0.207 536 L C 2.666 179.501 176.870 -0.058 0.000 1.078 536 L CA 1.788 56.603 54.840 -0.042 0.000 0.749 536 L CB -1.788 40.277 42.059 0.009 0.000 0.901 536 L HN 0.723 nan 8.230 nan 0.000 0.433 537 Q N -0.636 119.154 119.800 -0.016 0.000 2.364 537 Q HA -0.110 4.221 4.340 -0.016 0.000 0.209 537 Q C 1.032 176.993 176.000 -0.065 0.000 0.977 537 Q CA 1.021 56.823 55.803 -0.002 0.000 0.885 537 Q CB -0.165 28.628 28.738 0.091 0.000 0.941 537 Q HN 0.451 nan 8.270 nan 0.000 0.464 538 D N -1.462 118.874 120.400 -0.107 0.000 2.388 538 D HA 0.204 4.834 4.640 -0.016 0.000 0.221 538 D C 0.260 176.460 176.300 -0.165 0.000 1.133 538 D CA 0.513 54.431 54.000 -0.137 0.000 0.831 538 D CB 0.643 41.348 40.800 -0.158 0.000 0.962 538 D HN 0.310 nan 8.370 nan 0.000 0.502 539 G N 1.043 109.742 108.800 -0.169 0.000 2.149 539 G HA2 -0.268 3.682 3.960 -0.016 0.000 0.235 539 G HA3 -0.268 3.682 3.960 -0.016 0.000 0.235 539 G C 1.181 175.979 174.900 -0.171 0.000 1.018 539 G CA 0.108 45.103 45.100 -0.175 0.000 0.728 539 G HN 0.443 nan 8.290 nan 0.000 0.508 540 G N 0.069 108.763 108.800 -0.177 0.000 2.484 540 G HA2 0.440 4.390 3.960 -0.016 0.000 0.218 540 G HA3 0.440 4.390 3.960 -0.016 0.000 0.218 540 G C 1.132 175.955 174.900 -0.129 0.000 1.130 540 G CA 1.320 46.318 45.100 -0.170 0.000 0.784 540 G HN 1.796 nan 8.290 nan 0.000 0.543 541 A N 0.376 123.126 122.820 -0.117 0.000 2.445 541 A HA 0.439 4.750 4.320 -0.016 0.000 0.242 541 A C 1.379 178.868 177.584 -0.158 0.000 1.075 541 A CA 0.470 52.448 52.037 -0.099 0.000 0.777 541 A CB 0.588 19.555 19.000 -0.055 0.000 1.013 541 A HN 0.230 nan 8.150 nan 0.000 0.493 542 E N 1.067 121.144 120.200 -0.205 0.000 2.085 542 E HA -0.137 4.203 4.350 -0.016 0.000 0.194 542 E C -0.512 175.777 176.600 -0.519 0.000 0.994 542 E CA 1.654 57.810 56.400 -0.406 0.000 0.801 542 E CB -0.243 29.128 29.700 -0.548 0.000 0.743 542 E HN 0.678 nan 8.360 nan 0.000 0.453 543 Y N 0.167 120.410 120.300 -0.094 0.000 2.364 543 Y HA 0.482 5.021 4.550 -0.017 0.000 0.340 543 Y C -0.231 175.452 175.900 -0.363 0.000 0.975 543 Y CA -1.240 56.732 58.100 -0.213 0.000 1.089 543 Y CB 1.621 40.085 38.460 0.007 0.000 1.192 543 Y HN -0.164 nan 8.280 nan 0.000 0.454 544 N N 3.956 122.329 118.700 -0.544 0.000 2.296 544 N HA 0.537 5.267 4.740 -0.016 0.000 0.294 544 N C -1.522 173.454 175.510 -0.890 0.000 1.033 544 N CA -0.415 52.315 53.050 -0.533 0.000 0.839 544 N CB 2.163 40.431 38.487 -0.364 0.000 1.395 544 N HN 0.497 nan 8.380 nan 0.000 0.479 545 F N -0.371 119.476 119.950 -0.172 0.000 2.754 545 F HA 0.514 5.031 4.527 -0.017 0.000 0.320 545 F C -0.014 175.550 175.800 -0.393 0.000 1.156 545 F CA -0.693 57.167 58.000 -0.233 0.000 0.950 545 F CB 1.835 40.737 39.000 -0.163 0.000 1.388 545 F HN 0.115 nan 8.300 nan 0.000 0.485 546 S N -0.482 115.055 115.700 -0.271 0.000 2.614 546 S HA 0.650 5.110 4.470 -0.016 0.000 0.275 546 S C -0.781 173.618 174.600 -0.334 0.000 1.161 546 S CA -0.801 57.079 58.200 -0.533 0.000 0.969 546 S CB 1.825 64.020 63.200 -1.674 0.000 1.059 546 S HN 0.980 nan 8.310 nan 0.000 0.482 547 G N 3.867 112.602 108.800 -0.109 0.000 2.938 547 G HA2 0.601 4.552 3.960 -0.016 0.000 0.308 547 G HA3 0.601 4.552 3.960 -0.016 0.000 0.308 547 G C -3.203 171.666 174.900 -0.051 0.000 1.422 547 G CA -1.566 43.515 45.100 -0.032 0.000 1.071 547 G HN 0.363 nan 8.290 nan 0.000 0.530 548 P HA 0.351 nan 4.420 nan 0.000 0.294 548 P C -0.954 176.337 177.300 -0.015 0.000 1.294 548 P CA -0.569 62.514 63.100 -0.029 0.000 0.827 548 P CB 2.460 34.205 31.700 0.075 0.000 0.992 549 Q N 1.136 120.819 119.800 -0.197 0.000 2.230 549 Q HA 0.602 4.932 4.340 -0.016 0.000 0.253 549 Q C 0.546 176.508 176.000 -0.063 0.000 0.919 549 Q CA -0.123 55.539 55.803 -0.235 0.000 0.908 549 Q CB 0.929 29.278 28.738 -0.649 0.000 1.245 549 Q HN 0.566 nan 8.270 nan 0.000 0.437 550 G N 0.513 109.188 108.800 -0.209 0.000 2.348 550 G HA2 0.573 4.523 3.960 -0.016 0.000 0.312 550 G HA3 0.573 4.523 3.960 -0.016 0.000 0.312 550 G C -1.083 173.762 174.900 -0.093 0.000 1.126 550 G CA -0.378 44.438 45.100 -0.474 0.000 0.865 550 G HN 0.392 nan 8.290 nan 0.000 0.474 551 V N 1.291 121.224 119.914 0.032 0.000 2.531 551 V HA 0.801 4.911 4.120 -0.016 0.000 0.301 551 V C 0.767 176.906 176.094 0.076 0.000 1.034 551 V CA 0.386 62.754 62.300 0.114 0.000 0.865 551 V CB 1.206 33.189 31.823 0.267 0.000 0.995 551 V HN 1.692 nan 8.190 nan 0.000 0.424 552 G N 3.273 112.111 108.800 0.064 0.000 2.181 552 G HA2 -0.150 3.800 3.960 -0.016 0.000 0.152 552 G HA3 -0.150 3.800 3.960 -0.016 0.000 0.152 552 G C 0.279 175.196 174.900 0.027 0.000 1.026 552 G CA -0.015 45.114 45.100 0.048 0.000 0.699 552 G HN 0.606 nan 8.290 nan 0.000 0.497 553 V N 0.646 120.569 119.914 0.016 0.000 2.233 553 V HA -0.141 3.969 4.120 -0.016 0.000 0.247 553 V C 3.291 179.318 176.094 -0.111 0.000 1.050 553 V CA 3.342 65.611 62.300 -0.051 0.000 1.010 553 V CB -1.191 30.597 31.823 -0.057 0.000 0.637 553 V HN 1.063 nan 8.190 nan 0.000 0.444 554 A N 0.618 123.432 122.820 -0.009 0.000 1.883 554 A HA -0.313 3.997 4.320 -0.016 0.000 0.217 554 A C 1.999 179.611 177.584 0.046 0.000 1.186 554 A CA 2.582 54.666 52.037 0.078 0.000 0.624 554 A CB -1.011 18.168 19.000 0.298 0.000 0.822 554 A HN 0.699 nan 8.150 nan 0.000 0.444 555 N N -0.403 118.328 118.700 0.052 0.000 2.149 555 N HA -0.130 4.601 4.740 -0.016 0.000 0.188 555 N C 1.342 176.867 175.510 0.026 0.000 1.019 555 N CA 1.576 54.653 53.050 0.045 0.000 0.857 555 N CB -0.310 38.203 38.487 0.043 0.000 0.997 555 N HN 0.422 nan 8.380 nan 0.000 0.426 556 I N 0.376 120.951 120.570 0.008 0.000 2.286 556 I HA -0.062 4.098 4.170 -0.016 0.000 0.245 556 I C 2.363 178.461 176.117 -0.031 0.000 1.104 556 I CA 0.965 62.270 61.300 0.008 0.000 1.397 556 I CB -1.067 36.960 38.000 0.045 0.000 1.072 556 I HN 0.176 nan 8.210 nan 0.000 0.417 557 G N -0.093 108.656 108.800 -0.085 0.000 2.404 557 G HA2 -0.222 3.728 3.960 -0.016 0.000 0.215 557 G HA3 -0.222 3.728 3.960 -0.016 0.000 0.215 557 G C 1.369 176.256 174.900 -0.023 0.000 1.174 557 G CA 0.856 45.897 45.100 -0.099 0.000 0.780 557 G HN 0.296 nan 8.290 nan 0.000 0.537 558 D N 0.645 121.052 120.400 0.013 0.000 2.144 558 D HA -0.048 4.583 4.640 -0.016 0.000 0.199 558 D C 2.844 179.153 176.300 0.015 0.000 0.984 558 D CA 1.107 55.130 54.000 0.038 0.000 0.834 558 D CB -0.266 40.575 40.800 0.067 0.000 0.955 558 D HN 0.244 nan 8.370 nan 0.000 0.465 559 S N 0.290 116.000 115.700 0.017 0.000 2.355 559 S HA -0.037 4.423 4.470 -0.016 0.000 0.222 559 S C 2.200 176.795 174.600 -0.009 0.000 1.031 559 S CA 0.469 58.678 58.200 0.016 0.000 0.993 559 S CB -0.173 63.050 63.200 0.038 0.000 0.859 559 S HN 0.237 nan 8.310 nan 0.000 0.453 560 L N 0.751 121.979 121.223 0.008 0.000 2.046 560 L HA -0.057 4.273 4.340 -0.016 0.000 0.208 560 L C 2.469 179.292 176.870 -0.078 0.000 1.077 560 L CA 0.937 55.814 54.840 0.062 0.000 0.747 560 L CB -0.648 41.492 42.059 0.136 0.000 0.896 560 L HN 0.217 nan 8.230 nan 0.000 0.432 561 V N -0.042 119.819 119.914 -0.088 0.000 2.515 561 V HA -0.232 3.878 4.120 -0.016 0.000 0.250 561 V C 2.592 178.593 176.094 -0.155 0.000 1.058 561 V CA 1.735 63.944 62.300 -0.152 0.000 1.064 561 V CB -0.019 31.764 31.823 -0.067 0.000 0.675 561 V HN 0.435 nan 8.190 nan 0.000 0.461 562 A N -0.713 122.050 122.820 -0.095 0.000 1.873 562 A HA -0.117 4.193 4.320 -0.016 0.000 0.215 562 A C 2.321 179.844 177.584 -0.102 0.000 1.186 562 A CA 1.965 53.955 52.037 -0.077 0.000 0.616 562 A CB -0.696 18.283 19.000 -0.035 0.000 0.823 562 A HN 0.387 nan 8.150 nan 0.000 0.442 563 V N 0.485 120.326 119.914 -0.121 0.000 2.343 563 V HA -0.278 3.832 4.120 -0.016 0.000 0.247 563 V C 2.571 178.627 176.094 -0.064 0.000 1.051 563 V CA 2.446 64.677 62.300 -0.116 0.000 1.036 563 V CB -0.648 31.005 31.823 -0.283 0.000 0.654 563 V HN 0.731 nan 8.190 nan 0.000 0.451 564 K N 0.360 120.573 120.400 -0.312 0.000 2.002 564 K HA -0.251 4.059 4.320 -0.016 0.000 0.209 564 K C 2.277 178.768 176.600 -0.182 0.000 1.048 564 K CA 2.092 58.078 56.287 -0.501 0.000 0.930 564 K CB -0.164 31.581 32.500 -1.259 0.000 0.714 564 K HN 0.384 nan 8.250 nan 0.000 0.438 565 K N 0.228 120.519 120.400 -0.182 0.000 1.980 565 K HA -0.068 4.242 4.320 -0.016 0.000 0.208 565 K C 2.128 178.683 176.600 -0.075 0.000 1.043 565 K CA 1.191 57.415 56.287 -0.104 0.000 0.938 565 K CB -0.046 32.397 32.500 -0.095 0.000 0.724 565 K HN 0.066 nan 8.250 nan 0.000 0.438 566 I N 1.317 121.838 120.570 -0.082 0.000 2.208 566 I HA -0.211 3.949 4.170 -0.016 0.000 0.245 566 I C 2.338 178.391 176.117 -0.107 0.000 1.097 566 I CA 1.174 62.429 61.300 -0.076 0.000 1.363 566 I CB -1.024 36.938 38.000 -0.063 0.000 1.051 566 I HN 0.089 nan 8.210 nan 0.000 0.413 567 V N -0.214 119.601 119.914 -0.164 0.000 2.391 567 V HA -0.085 4.025 4.120 -0.016 0.000 0.237 567 V C 2.212 178.090 176.094 -0.359 0.000 1.046 567 V CA 1.232 63.336 62.300 -0.327 0.000 1.053 567 V CB -0.673 30.822 31.823 -0.546 0.000 0.704 567 V HN 0.103 nan 8.190 nan 0.000 0.475 568 F N 0.380 120.316 119.950 -0.023 0.000 2.335 568 F HA -0.018 4.500 4.527 -0.015 0.000 0.296 568 F C 2.254 178.043 175.800 -0.018 0.000 1.091 568 F CA 1.078 59.078 58.000 -0.001 0.000 1.399 568 F CB -0.220 38.816 39.000 0.060 0.000 1.067 568 F HN 0.169 nan 8.300 nan 0.000 0.520 569 D N 0.169 120.636 120.400 0.111 0.000 2.146 569 D HA -0.080 4.550 4.640 -0.016 0.000 0.209 569 D C 1.843 178.154 176.300 0.017 0.000 0.973 569 D CA 1.204 55.234 54.000 0.049 0.000 0.860 569 D CB -0.347 40.454 40.800 0.001 0.000 1.015 569 D HN 0.313 nan 8.370 nan 0.000 0.465 570 E N 0.154 120.347 120.200 -0.011 0.000 2.400 570 E HA 0.050 4.390 4.350 -0.016 0.000 0.195 570 E C -0.123 176.459 176.600 -0.030 0.000 1.012 570 E CA -0.094 56.294 56.400 -0.021 0.000 0.875 570 E CB 0.244 29.927 29.700 -0.030 0.000 0.859 570 E HN 0.117 nan 8.360 nan 0.000 0.498 571 N N 0.931 119.602 118.700 -0.049 0.000 2.725 571 N HA -0.206 4.524 4.740 -0.016 0.000 0.249 571 N C 0.541 176.013 175.510 -0.064 0.000 1.103 571 N CA 0.579 53.589 53.050 -0.067 0.000 0.707 571 N CB -0.598 37.865 38.487 -0.039 0.000 1.043 571 N HN 0.150 nan 8.380 nan 0.000 0.553 572 K N 0.453 120.816 120.400 -0.062 0.000 2.103 572 K HA 0.013 4.323 4.320 -0.016 0.000 0.207 572 K C 1.439 178.007 176.600 -0.053 0.000 1.048 572 K CA 1.258 57.516 56.287 -0.049 0.000 0.930 572 K CB 0.101 32.575 32.500 -0.044 0.000 0.716 572 K HN 0.722 nan 8.250 nan 0.000 0.444 573 I N -2.946 117.579 120.570 -0.075 0.000 2.994 573 I HA 0.288 4.448 4.170 -0.016 0.000 0.306 573 I C -0.168 175.873 176.117 -0.127 0.000 1.195 573 I CA -1.129 60.127 61.300 -0.075 0.000 1.001 573 I CB 2.237 40.210 38.000 -0.045 0.000 1.244 573 I HN -0.159 nan 8.210 nan 0.000 0.437 574 T N -0.334 114.146 114.554 -0.123 0.000 2.902 574 T HA 0.483 4.823 4.350 -0.016 0.000 0.280 574 T C -2.076 172.476 174.700 -0.247 0.000 0.992 574 T CA -1.660 60.328 62.100 -0.187 0.000 1.015 574 T CB 1.422 70.209 68.868 -0.136 0.000 1.044 574 T HN 0.473 nan 8.240 nan 0.000 0.520 575 P HA -0.100 nan 4.420 nan 0.000 0.215 575 P C 1.881 179.015 177.300 -0.276 0.000 1.157 575 P CA 1.225 63.878 63.100 -0.745 0.000 0.874 575 P CB -0.147 30.790 31.700 -1.272 0.000 0.790 576 S N -0.280 115.310 115.700 -0.183 0.000 2.359 576 S HA -0.246 4.214 4.470 -0.016 0.000 0.223 576 S C 1.805 176.415 174.600 0.017 0.000 1.039 576 S CA 1.560 59.740 58.200 -0.034 0.000 1.042 576 S CB -1.029 62.147 63.200 -0.041 0.000 0.915 576 S HN 0.364 nan 8.310 nan 0.000 0.439 577 E N 0.449 120.641 120.200 -0.013 0.000 2.085 577 E HA -0.180 4.161 4.350 -0.016 0.000 0.194 577 E C 2.118 178.750 176.600 0.055 0.000 0.994 577 E CA 1.107 57.514 56.400 0.012 0.000 0.801 577 E CB -0.265 29.429 29.700 -0.009 0.000 0.743 577 E HN 0.260 nan 8.360 nan 0.000 0.453 578 L N 1.690 122.963 121.223 0.083 0.000 2.027 578 L HA -0.181 4.149 4.340 -0.016 0.000 0.206 578 L C 2.285 179.259 176.870 0.175 0.000 1.074 578 L CA 1.899 56.831 54.840 0.155 0.000 0.745 578 L CB -0.361 41.840 42.059 0.237 0.000 0.898 578 L HN -0.087 nan 8.230 nan 0.000 0.433 579 K N -0.496 120.060 120.400 0.260 0.000 2.063 579 K HA -0.241 4.069 4.320 -0.016 0.000 0.208 579 K C 2.087 178.742 176.600 0.092 0.000 1.048 579 K CA 1.856 58.275 56.287 0.219 0.000 0.928 579 K CB -0.052 32.640 32.500 0.319 0.000 0.713 579 K HN 0.346 nan 8.250 nan 0.000 0.442 580 K N -0.497 119.945 120.400 0.070 0.000 2.062 580 K HA -0.098 4.212 4.320 -0.016 0.000 0.205 580 K C 2.284 178.881 176.600 -0.006 0.000 1.051 580 K CA 1.642 57.946 56.287 0.029 0.000 0.941 580 K CB -0.302 32.215 32.500 0.027 0.000 0.719 580 K HN 0.160 nan 8.250 nan 0.000 0.440 581 T N 1.354 115.911 114.554 0.006 0.000 2.788 581 T HA -0.062 4.278 4.350 -0.016 0.000 0.268 581 T C 1.802 176.378 174.700 -0.206 0.000 1.044 581 T CA 0.905 62.992 62.100 -0.021 0.000 1.139 581 T CB -0.115 68.811 68.868 0.097 0.000 0.867 581 T HN 0.081 nan 8.240 nan 0.000 0.454 582 L N 0.959 122.063 121.223 -0.199 0.000 2.056 582 L HA -0.031 4.299 4.340 -0.016 0.000 0.207 582 L C 2.631 179.334 176.870 -0.278 0.000 1.078 582 L CA 1.071 55.699 54.840 -0.353 0.000 0.749 582 L CB -0.485 41.476 42.059 -0.163 0.000 0.901 582 L HN 0.239 nan 8.230 nan 0.000 0.433 583 N N 0.259 118.874 118.700 -0.141 0.000 2.453 583 N HA -0.132 4.598 4.740 -0.016 0.000 0.183 583 N C 1.124 176.569 175.510 -0.110 0.000 1.041 583 N CA 0.953 53.944 53.050 -0.099 0.000 0.900 583 N CB -0.255 38.211 38.487 -0.034 0.000 0.961 583 N HN 0.357 nan 8.380 nan 0.000 0.443 584 N N 0.603 119.223 118.700 -0.133 0.000 2.280 584 N HA -0.037 4.693 4.740 -0.016 0.000 0.192 584 N C -0.548 174.875 175.510 -0.146 0.000 1.109 584 N CA 0.038 53.026 53.050 -0.103 0.000 0.855 584 N CB 0.277 38.730 38.487 -0.057 0.000 0.974 584 N HN 0.002 nan 8.380 nan 0.000 0.482 585 D N -0.334 119.889 120.400 -0.294 0.000 2.746 585 D HA -0.256 4.374 4.640 -0.016 0.000 0.236 585 D C -0.673 175.490 176.300 -0.228 0.000 1.129 585 D CA 0.373 54.155 54.000 -0.362 0.000 0.691 585 D CB -1.654 39.063 40.800 -0.139 0.000 1.077 585 D HN 0.348 nan 8.370 nan 0.000 0.432 586 F N -3.151 116.800 119.950 0.002 0.000 3.006 586 F HA -0.336 4.182 4.527 -0.016 0.000 0.289 586 F C 1.275 177.075 175.800 0.000 0.000 0.772 586 F CA 1.058 59.059 58.000 0.001 0.000 1.162 586 F CB -1.537 37.462 39.000 -0.001 0.000 1.382 586 F HN 0.250 nan 8.300 nan 0.000 0.406 587 K N 2.047 122.505 120.400 0.097 0.000 2.436 587 K HA 0.026 4.337 4.320 -0.016 0.000 0.282 587 K C 0.913 177.551 176.600 0.063 0.000 1.044 587 K CA 0.427 56.755 56.287 0.067 0.000 1.028 587 K CB 0.177 32.693 32.500 0.027 0.000 0.919 587 K HN 0.322 nan 8.250 nan 0.000 0.474 588 N N 1.874 120.609 118.700 0.058 0.000 2.725 588 N HA -0.171 4.560 4.740 -0.016 0.000 0.249 588 N C -1.088 174.453 175.510 0.051 0.000 1.103 588 N CA 1.548 54.624 53.050 0.043 0.000 0.707 588 N CB -1.484 37.021 38.487 0.029 0.000 1.043 588 N HN 0.670 nan 8.380 nan 0.000 0.553 589 S N -2.768 112.979 115.700 0.077 0.000 2.646 589 S HA 0.312 4.772 4.470 -0.016 0.000 0.217 589 S C 0.512 175.164 174.600 0.086 0.000 0.836 589 S CA -0.714 57.536 58.200 0.082 0.000 1.094 589 S CB 0.457 63.720 63.200 0.104 0.000 1.557 589 S HN 0.093 nan 8.310 nan 0.000 0.449 590 E N 2.311 122.537 120.200 0.045 0.000 2.338 590 E HA -0.134 4.206 4.350 -0.016 0.000 0.197 590 E C 2.127 178.703 176.600 -0.040 0.000 1.007 590 E CA 1.160 57.554 56.400 -0.009 0.000 0.849 590 E CB -0.007 29.686 29.700 -0.012 0.000 0.774 590 E HN 0.787 nan 8.360 nan 0.000 0.506 591 E N 1.014 121.205 120.200 -0.015 0.000 2.150 591 E HA -0.177 4.163 4.350 -0.016 0.000 0.193 591 E C 1.892 178.474 176.600 -0.030 0.000 0.985 591 E CA 1.008 57.394 56.400 -0.023 0.000 0.814 591 E CB -0.279 29.415 29.700 -0.010 0.000 0.752 591 E HN 0.383 nan 8.360 nan 0.000 0.466 592 I N 0.864 121.428 120.570 -0.009 0.000 2.584 592 I HA -0.152 4.008 4.170 -0.016 0.000 0.255 592 I C 2.920 178.998 176.117 -0.065 0.000 1.145 592 I CA 0.710 62.010 61.300 0.000 0.000 1.462 592 I CB -0.239 37.803 38.000 0.069 0.000 1.102 592 I HN 0.110 nan 8.210 nan 0.000 0.433 593 Q N 1.234 120.932 119.800 -0.170 0.000 2.119 593 Q HA -0.204 4.126 4.340 -0.016 0.000 0.201 593 Q C 2.359 178.169 176.000 -0.317 0.000 0.972 593 Q CA 1.740 57.237 55.803 -0.510 0.000 0.847 593 Q CB -0.002 28.251 28.738 -0.808 0.000 0.903 593 Q HN 0.542 nan 8.270 nan 0.000 0.433 594 A N 0.646 123.353 122.820 -0.188 0.000 1.902 594 A HA -0.193 4.117 4.320 -0.016 0.000 0.217 594 A C 1.944 179.467 177.584 -0.102 0.000 1.181 594 A CA 1.120 53.080 52.037 -0.129 0.000 0.623 594 A CB -0.685 18.263 19.000 -0.086 0.000 0.818 594 A HN 0.405 nan 8.150 nan 0.000 0.443 595 L N -0.229 120.944 121.223 -0.084 0.000 2.042 595 L HA -0.175 4.155 4.340 -0.016 0.000 0.210 595 L C 2.493 179.324 176.870 -0.065 0.000 1.076 595 L CA 1.621 56.424 54.840 -0.061 0.000 0.749 595 L CB -0.705 41.327 42.059 -0.046 0.000 0.893 595 L HN 0.428 nan 8.230 nan 0.000 0.432 596 L N -1.336 119.837 121.223 -0.083 0.000 2.027 596 L HA -0.217 4.113 4.340 -0.016 0.000 0.206 596 L C 2.442 179.268 176.870 -0.074 0.000 1.074 596 L CA 1.216 56.014 54.840 -0.070 0.000 0.745 596 L CB -0.619 41.399 42.059 -0.069 0.000 0.898 596 L HN 0.195 nan 8.230 nan 0.000 0.433 597 K N 0.086 120.419 120.400 -0.111 0.000 2.097 597 K HA -0.111 4.199 4.320 -0.016 0.000 0.206 597 K C 1.549 178.117 176.600 -0.055 0.000 1.049 597 K CA 1.163 57.398 56.287 -0.087 0.000 0.933 597 K CB -0.237 32.194 32.500 -0.115 0.000 0.717 597 K HN 0.249 nan 8.250 nan 0.000 0.442 598 N N 0.663 119.330 118.700 -0.055 0.000 2.461 598 N HA 0.028 4.758 4.740 -0.016 0.000 0.188 598 N C 0.023 175.515 175.510 -0.029 0.000 1.134 598 N CA 0.217 53.244 53.050 -0.039 0.000 0.878 598 N CB 0.066 38.529 38.487 -0.039 0.000 0.972 598 N HN 0.154 nan 8.380 nan 0.000 0.456 599 A N 1.615 124.417 122.820 -0.030 0.000 2.366 599 A HA 0.381 4.691 4.320 -0.016 0.000 0.249 599 A C -2.134 175.445 177.584 -0.009 0.000 1.084 599 A CA -1.004 51.018 52.037 -0.025 0.000 0.794 599 A CB -0.276 18.705 19.000 -0.032 0.000 1.034 599 A HN -0.037 nan 8.150 nan 0.000 0.491 600 P HA 0.050 nan 4.420 nan 0.000 0.262 600 P C -0.637 176.686 177.300 0.038 0.000 1.182 600 P CA 0.557 63.666 63.100 0.015 0.000 0.761 600 P CB 0.304 32.012 31.700 0.014 0.000 0.795 601 K N 3.102 123.533 120.400 0.052 0.000 2.207 601 K HA 0.354 4.664 4.320 -0.016 0.000 0.255 601 K C -0.227 176.455 176.600 0.137 0.000 0.941 601 K CA -0.940 55.400 56.287 0.088 0.000 0.825 601 K CB 1.089 33.625 32.500 0.060 0.000 1.119 601 K HN 0.327 nan 8.250 nan 0.000 0.430 602 F N 1.104 121.067 119.950 0.020 0.000 2.607 602 F HA 0.247 4.764 4.527 -0.016 0.000 0.374 602 F C 1.176 176.997 175.800 0.035 0.000 1.104 602 F CA 1.426 59.442 58.000 0.027 0.000 1.296 602 F CB 0.217 39.233 39.000 0.027 0.000 1.085 602 F HN 0.846 nan 8.300 nan 0.000 0.584 603 G N 4.191 112.640 108.800 -0.585 0.000 2.154 603 G HA2 -0.250 3.701 3.960 -0.016 0.000 0.186 603 G HA3 -0.250 3.701 3.960 -0.016 0.000 0.186 603 G C 0.213 175.003 174.900 -0.183 0.000 1.000 603 G CA 0.076 44.879 45.100 -0.495 0.000 0.664 603 G HN 0.670 nan 8.290 nan 0.000 0.513 604 N N 0.870 119.511 118.700 -0.099 0.000 2.299 604 N HA 0.219 4.950 4.740 -0.016 0.000 0.246 604 N C 0.321 175.825 175.510 -0.010 0.000 1.254 604 N CA 0.324 53.355 53.050 -0.033 0.000 0.879 604 N CB 0.613 39.096 38.487 -0.006 0.000 1.214 604 N HN 0.242 nan 8.380 nan 0.000 0.510 605 D N 1.007 121.399 120.400 -0.013 0.000 2.837 605 D HA -0.174 4.456 4.640 -0.016 0.000 0.230 605 D C -0.600 175.725 176.300 0.043 0.000 1.152 605 D CA 0.582 54.596 54.000 0.024 0.000 0.736 605 D CB -1.383 39.431 40.800 0.023 0.000 1.084 605 D HN 0.417 nan 8.370 nan 0.000 0.429 606 I N 0.850 121.451 120.570 0.052 0.000 2.306 606 I HA 0.103 4.263 4.170 -0.016 0.000 0.288 606 I C 1.404 177.568 176.117 0.078 0.000 1.036 606 I CA -0.902 60.432 61.300 0.056 0.000 1.221 606 I CB 1.225 39.254 38.000 0.048 0.000 1.385 606 I HN -0.189 nan 8.210 nan 0.000 0.472 607 D N 4.028 124.469 120.400 0.069 0.000 2.133 607 D HA -0.242 4.388 4.640 -0.016 0.000 0.195 607 D C 1.766 178.107 176.300 0.068 0.000 0.997 607 D CA 1.443 55.488 54.000 0.075 0.000 0.840 607 D CB 0.151 40.987 40.800 0.061 0.000 0.947 607 D HN 0.654 nan 8.370 nan 0.000 0.452 608 E N 0.312 120.541 120.200 0.047 0.000 2.070 608 E HA -0.188 4.152 4.350 -0.016 0.000 0.197 608 E C 2.043 178.663 176.600 0.033 0.000 1.004 608 E CA 1.182 57.599 56.400 0.028 0.000 0.805 608 E CB 0.005 29.710 29.700 0.007 0.000 0.744 608 E HN 0.113 nan 8.360 nan 0.000 0.451 609 V N 0.612 120.560 119.914 0.056 0.000 2.599 609 V HA -0.124 3.986 4.120 -0.016 0.000 0.245 609 V C 1.333 177.496 176.094 0.115 0.000 1.046 609 V CA 1.947 64.290 62.300 0.072 0.000 1.065 609 V CB -0.227 31.654 31.823 0.097 0.000 0.703 609 V HN 0.244 nan 8.190 nan 0.000 0.464 610 D N 0.804 121.312 120.400 0.180 0.000 2.123 610 D HA -0.163 4.467 4.640 -0.016 0.000 0.196 610 D C 1.937 178.309 176.300 0.121 0.000 0.992 610 D CA 1.512 55.662 54.000 0.250 0.000 0.833 610 D CB -0.390 40.565 40.800 0.258 0.000 0.954 610 D HN 0.454 nan 8.370 nan 0.000 0.455 611 N N 0.180 118.936 118.700 0.093 0.000 2.309 611 N HA -0.041 4.689 4.740 -0.016 0.000 0.182 611 N C 1.961 177.503 175.510 0.053 0.000 1.018 611 N CA 0.255 53.348 53.050 0.072 0.000 0.876 611 N CB -0.058 38.472 38.487 0.072 0.000 0.972 611 N HN 0.278 nan 8.380 nan 0.000 0.434 612 L N 0.319 121.567 121.223 0.043 0.000 2.240 612 L HA 0.047 4.377 4.340 -0.016 0.000 0.211 612 L C 2.317 179.178 176.870 -0.015 0.000 1.106 612 L CA 0.433 55.300 54.840 0.045 0.000 0.793 612 L CB -0.282 41.807 42.059 0.051 0.000 0.927 612 L HN 0.067 nan 8.230 nan 0.000 0.446 613 A N 0.325 123.087 122.820 -0.096 0.000 1.898 613 A HA -0.226 4.084 4.320 -0.016 0.000 0.216 613 A C 2.426 179.910 177.584 -0.167 0.000 1.181 613 A CA 1.573 53.453 52.037 -0.261 0.000 0.620 613 A CB -0.491 18.089 19.000 -0.700 0.000 0.819 613 A HN 0.346 nan 8.150 nan 0.000 0.442 614 R N -0.397 120.055 120.500 -0.080 0.000 2.070 614 R HA -0.198 4.132 4.340 -0.016 0.000 0.233 614 R C 2.112 178.426 176.300 0.023 0.000 1.137 614 R CA 1.983 58.073 56.100 -0.017 0.000 0.945 614 R CB -0.306 30.016 30.300 0.036 0.000 0.845 614 R HN 0.433 nan 8.270 nan 0.000 0.430 615 E N -0.161 120.067 120.200 0.046 0.000 2.077 615 E HA -0.079 4.262 4.350 -0.016 0.000 0.193 615 E C 1.800 178.471 176.600 0.119 0.000 0.989 615 E CA 1.738 58.186 56.400 0.080 0.000 0.800 615 E CB -0.657 29.099 29.700 0.093 0.000 0.746 615 E HN 0.516 nan 8.360 nan 0.000 0.452 616 G N 0.246 109.106 108.800 0.099 0.000 2.440 616 G HA2 -0.271 3.679 3.960 -0.016 0.000 0.218 616 G HA3 -0.271 3.679 3.960 -0.016 0.000 0.218 616 G C 1.686 176.727 174.900 0.236 0.000 1.154 616 G CA 1.259 46.464 45.100 0.174 0.000 0.767 616 G HN 0.448 nan 8.290 nan 0.000 0.552 617 A N 0.304 123.194 122.820 0.116 0.000 1.929 617 A HA 0.215 4.525 4.320 -0.016 0.000 0.216 617 A C 2.417 180.088 177.584 0.146 0.000 1.176 617 A CA 0.988 53.095 52.037 0.116 0.000 0.628 617 A CB -0.334 18.681 19.000 0.026 0.000 0.816 617 A HN 0.343 nan 8.150 nan 0.000 0.444 618 L N -0.315 120.969 121.223 0.103 0.000 2.083 618 L HA -0.174 4.157 4.340 -0.016 0.000 0.209 618 L C 2.499 179.408 176.870 0.066 0.000 1.083 618 L CA 1.015 55.900 54.840 0.075 0.000 0.752 618 L CB -0.484 41.611 42.059 0.061 0.000 0.899 618 L HN 0.257 nan 8.230 nan 0.000 0.433 619 V N -0.852 119.129 119.914 0.112 0.000 2.332 619 V HA -0.351 3.759 4.120 -0.016 0.000 0.248 619 V C 2.182 178.270 176.094 -0.010 0.000 1.055 619 V CA 2.081 64.418 62.300 0.062 0.000 1.038 619 V CB -0.765 31.134 31.823 0.127 0.000 0.651 619 V HN 0.452 nan 8.190 nan 0.000 0.450 620 Y N 0.479 120.731 120.300 -0.080 0.000 2.133 620 Y HA -0.256 4.285 4.550 -0.015 0.000 0.287 620 Y C 2.593 178.400 175.900 -0.154 0.000 1.134 620 Y CA 1.737 59.730 58.100 -0.177 0.000 1.133 620 Y CB -0.846 37.525 38.460 -0.149 0.000 0.987 620 Y HN 0.232 nan 8.280 nan 0.000 0.502 621 C N 1.023 120.206 119.300 -0.195 0.000 2.413 621 C HA -0.170 4.280 4.460 -0.016 0.000 0.276 621 C C 2.696 177.563 174.990 -0.205 0.000 1.248 621 C CA 1.489 60.366 59.018 -0.235 0.000 1.742 621 C CB -1.313 26.407 27.740 -0.033 0.000 2.017 621 C HN 0.546 nan 8.230 nan 0.000 0.481 622 R N 0.516 120.937 120.500 -0.133 0.000 2.092 622 R HA -0.086 4.244 4.340 -0.016 0.000 0.231 622 R C 2.173 178.392 176.300 -0.136 0.000 1.119 622 R CA 0.949 56.987 56.100 -0.103 0.000 0.970 622 R CB -0.229 30.034 30.300 -0.063 0.000 0.864 622 R HN 0.540 nan 8.270 nan 0.000 0.440 623 E N 0.459 120.545 120.200 -0.190 0.000 2.051 623 E HA -0.133 4.207 4.350 -0.016 0.000 0.192 623 E C 2.175 178.702 176.600 -0.122 0.000 0.991 623 E CA 1.075 57.376 56.400 -0.165 0.000 0.799 623 E CB -0.320 29.240 29.700 -0.233 0.000 0.748 623 E HN 0.102 nan 8.360 nan 0.000 0.449 624 V N 2.415 122.137 119.914 -0.320 0.000 2.332 624 V HA -0.243 3.867 4.120 -0.016 0.000 0.248 624 V C 1.814 177.901 176.094 -0.011 0.000 1.055 624 V CA 1.685 63.835 62.300 -0.249 0.000 1.038 624 V CB -0.607 30.957 31.823 -0.431 0.000 0.651 624 V HN 0.188 nan 8.190 nan 0.000 0.450 625 N N 0.212 118.881 118.700 -0.052 0.000 2.519 625 N HA -0.129 4.602 4.740 -0.016 0.000 0.186 625 N C 1.638 177.122 175.510 -0.043 0.000 1.062 625 N CA 0.928 53.975 53.050 -0.005 0.000 0.910 625 N CB -0.258 38.212 38.487 -0.028 0.000 0.958 625 N HN 0.558 nan 8.380 nan 0.000 0.445 626 K N -0.673 119.651 120.400 -0.127 0.000 2.366 626 K HA -0.027 4.283 4.320 -0.016 0.000 0.198 626 K C -0.135 176.118 176.600 -0.578 0.000 1.044 626 K CA 0.522 56.584 56.287 -0.375 0.000 0.973 626 K CB 0.106 32.261 32.500 -0.575 0.000 0.767 626 K HN 0.190 nan 8.250 nan 0.000 0.475 627 Y N 0.715 120.862 120.300 -0.254 0.000 2.376 627 Y HA 0.200 4.742 4.550 -0.013 0.000 0.325 627 Y C 0.788 176.670 175.900 -0.030 0.000 1.199 627 Y CA -0.890 57.005 58.100 -0.342 0.000 1.206 627 Y CB 1.414 39.319 38.460 -0.924 0.000 1.229 627 Y HN -0.128 nan 8.280 nan 0.000 0.480 628 T N -0.906 113.740 114.554 0.154 0.000 2.906 628 T HA 0.595 4.935 4.350 -0.016 0.000 0.295 628 T C -0.726 174.149 174.700 0.291 0.000 1.061 628 T CA -1.150 61.095 62.100 0.242 0.000 1.000 628 T CB 1.487 70.385 68.868 0.050 0.000 1.103 628 T HN 0.661 nan 8.240 nan 0.000 0.486 629 N N 0.974 119.783 118.700 0.182 0.000 2.478 629 N HA 0.525 5.255 4.740 -0.016 0.000 0.275 629 N C -2.322 173.131 175.510 -0.095 0.000 1.221 629 N CA -2.348 50.722 53.050 0.033 0.000 0.979 629 N CB -0.118 38.214 38.487 -0.259 0.000 1.202 629 N HN 0.247 nan 8.380 nan 0.000 0.564 630 P HA -0.002 nan 4.420 nan 0.000 0.228 630 P C 0.278 177.474 177.300 -0.173 0.000 1.151 630 P CA 1.020 64.028 63.100 -0.153 0.000 0.770 630 P CB 0.177 31.778 31.700 -0.165 0.000 0.786 631 R N -1.452 118.914 120.500 -0.223 0.000 2.334 631 R HA 0.282 4.612 4.340 -0.016 0.000 0.220 631 R C 1.227 177.411 176.300 -0.193 0.000 0.917 631 R CA 0.559 56.526 56.100 -0.221 0.000 1.073 631 R CB -0.414 29.716 30.300 -0.283 0.000 1.056 631 R HN 0.104 nan 8.270 nan 0.000 0.506 632 G N 0.213 108.917 108.800 -0.160 0.000 2.162 632 G HA2 -0.266 3.684 3.960 -0.016 0.000 0.260 632 G HA3 -0.266 3.684 3.960 -0.016 0.000 0.260 632 G C 0.379 175.189 174.900 -0.150 0.000 0.976 632 G CA 0.012 45.032 45.100 -0.134 0.000 0.655 632 G HN 0.540 nan 8.290 nan 0.000 0.533 633 G N -0.922 107.762 108.800 -0.193 0.000 2.502 633 G HA2 0.526 4.476 3.960 -0.016 0.000 0.305 633 G HA3 0.526 4.476 3.960 -0.016 0.000 0.305 633 G C -0.235 174.608 174.900 -0.094 0.000 1.190 633 G CA -0.279 44.676 45.100 -0.241 0.000 0.933 633 G HN 0.297 nan 8.290 nan 0.000 0.503 634 N N -0.809 117.877 118.700 -0.022 0.000 2.456 634 N HA 0.376 5.106 4.740 -0.016 0.000 0.296 634 N C -1.120 174.541 175.510 0.251 0.000 1.102 634 N CA -0.461 52.688 53.050 0.163 0.000 0.924 634 N CB 1.378 39.972 38.487 0.180 0.000 1.186 634 N HN 0.120 nan 8.380 nan 0.000 0.492 635 F N 1.203 121.203 119.950 0.083 0.000 2.412 635 F HA 0.196 4.714 4.527 -0.015 0.000 0.348 635 F C 0.687 176.520 175.800 0.056 0.000 1.102 635 F CA -0.067 57.974 58.000 0.068 0.000 1.196 635 F CB 0.832 39.851 39.000 0.031 0.000 1.144 635 F HN 0.285 nan 8.300 nan 0.000 0.541 636 Q N 4.908 124.796 119.800 0.147 0.000 2.323 636 Q HA 0.541 4.871 4.340 -0.016 0.000 0.271 636 Q C -3.137 172.882 176.000 0.031 0.000 1.048 636 Q CA -2.350 53.487 55.803 0.056 0.000 0.792 636 Q CB 2.639 31.351 28.738 -0.043 0.000 1.280 636 Q HN 0.237 nan 8.270 nan 0.000 0.441 637 P HA 0.325 nan 4.420 nan 0.000 0.279 637 P C -0.529 176.795 177.300 0.041 0.000 1.252 637 P CA -0.004 63.102 63.100 0.009 0.000 0.811 637 P CB 1.517 33.171 31.700 -0.077 0.000 1.035 638 G N 0.734 109.573 108.800 0.066 0.000 2.658 638 G HA2 0.650 4.600 3.960 -0.016 0.000 0.292 638 G HA3 0.650 4.600 3.960 -0.016 0.000 0.292 638 G C -1.453 173.444 174.900 -0.005 0.000 1.320 638 G CA -0.878 44.227 45.100 0.008 0.000 0.933 638 G HN 0.407 nan 8.290 nan 0.000 0.476 639 L N 1.468 122.698 121.223 0.010 0.000 2.502 639 L HA 0.352 4.683 4.340 -0.016 0.000 0.249 639 L C -1.305 175.663 176.870 0.163 0.000 1.446 639 L CA -0.718 54.141 54.840 0.032 0.000 0.887 639 L CB 0.333 42.414 42.059 0.036 0.000 1.126 639 L HN 0.696 nan 8.230 nan 0.000 0.509 640 Y N 0.102 120.481 120.300 0.131 0.000 2.562 640 Y HA 0.755 5.295 4.550 -0.016 0.000 0.345 640 Y C -2.803 173.261 175.900 0.272 0.000 1.045 640 Y CA -2.196 56.009 58.100 0.175 0.000 1.028 640 Y CB 1.603 40.156 38.460 0.154 0.000 1.297 640 Y HN -0.050 nan 8.280 nan 0.000 0.463 641 P HA 0.161 nan 4.420 nan 0.000 0.298 641 P C 0.463 177.741 177.300 -0.036 0.000 1.310 641 P CA 0.884 64.059 63.100 0.126 0.000 0.991 641 P CB 1.413 33.120 31.700 0.012 0.000 1.512 642 S N 1.286 117.180 115.700 0.322 0.000 4.116 642 S HA -0.224 4.236 4.470 -0.016 0.000 0.623 642 S C 1.018 175.739 174.600 0.202 0.000 1.933 642 S CA 2.481 60.887 58.200 0.342 0.000 4.224 642 S CB -1.950 61.333 63.200 0.138 0.000 0.208 642 S HN 0.481 nan 8.310 nan 0.000 0.527 643 S N 0.272 115.976 115.700 0.007 0.000 2.730 643 S HA 0.431 4.891 4.470 -0.016 0.000 0.244 643 S C 1.297 175.772 174.600 -0.207 0.000 1.022 643 S CA 0.506 58.691 58.200 -0.025 0.000 1.014 643 S CB 0.114 63.356 63.200 0.070 0.000 0.963 643 S HN 0.686 nan 8.310 nan 0.000 0.540 644 I N 3.358 123.632 120.570 -0.493 0.000 3.176 644 I HA -0.135 4.025 4.170 -0.016 0.000 0.275 644 I C 2.033 177.867 176.117 -0.472 0.000 1.298 644 I CA 0.909 61.800 61.300 -0.681 0.000 1.445 644 I CB -0.143 36.964 38.000 -1.488 0.000 1.075 644 I HN 0.488 nan 8.210 nan 0.000 0.482 645 N N 0.572 119.117 118.700 -0.258 0.000 2.309 645 N HA -0.142 4.588 4.740 -0.016 0.000 0.182 645 N C 1.575 177.087 175.510 0.002 0.000 1.018 645 N CA 1.181 54.190 53.050 -0.068 0.000 0.876 645 N CB -0.553 37.927 38.487 -0.010 0.000 0.972 645 N HN 0.260 nan 8.380 nan 0.000 0.434 646 V N 0.510 120.419 119.914 -0.009 0.000 2.346 646 V HA -0.162 3.948 4.120 -0.016 0.000 0.244 646 V C 2.222 178.359 176.094 0.073 0.000 1.037 646 V CA 1.154 63.471 62.300 0.029 0.000 1.029 646 V CB -0.911 30.925 31.823 0.022 0.000 0.663 646 V HN 0.190 nan 8.190 nan 0.000 0.454 647 Y N 0.195 120.462 120.300 -0.056 0.000 2.163 647 Y HA -0.197 4.343 4.550 -0.017 0.000 0.288 647 Y C 2.238 178.194 175.900 0.093 0.000 1.136 647 Y CA 1.238 59.331 58.100 -0.012 0.000 1.147 647 Y CB -0.586 37.849 38.460 -0.042 0.000 0.987 647 Y HN 0.209 nan 8.280 nan 0.000 0.509 648 F N -0.178 119.622 119.950 -0.250 0.000 2.126 648 F HA -0.230 4.287 4.527 -0.016 0.000 0.299 648 F C 2.533 178.167 175.800 -0.277 0.000 1.096 648 F CA 0.617 58.413 58.000 -0.340 0.000 1.255 648 F CB -0.622 38.235 39.000 -0.238 0.000 0.997 648 F HN 0.244 nan 8.300 nan 0.000 0.479 649 G N -0.451 108.361 108.800 0.021 0.000 2.422 649 G HA2 -0.319 3.632 3.960 -0.016 0.000 0.218 649 G HA3 -0.319 3.632 3.960 -0.016 0.000 0.218 649 G C 1.613 176.467 174.900 -0.077 0.000 1.146 649 G CA 1.010 46.092 45.100 -0.031 0.000 0.769 649 G HN 0.448 nan 8.290 nan 0.000 0.547 650 S N -0.023 115.622 115.700 -0.093 0.000 2.507 650 S HA 0.144 4.604 4.470 -0.016 0.000 0.235 650 S C 1.913 176.413 174.600 -0.166 0.000 0.988 650 S CA 0.531 58.672 58.200 -0.100 0.000 0.944 650 S CB -0.152 63.016 63.200 -0.053 0.000 0.762 650 S HN 0.281 nan 8.310 nan 0.000 0.526 651 L N 1.031 122.103 121.223 -0.252 0.000 2.693 651 L HA 0.279 4.609 4.340 -0.016 0.000 0.235 651 L C -0.039 176.682 176.870 -0.249 0.000 1.127 651 L CA -0.056 54.617 54.840 -0.279 0.000 0.914 651 L CB 0.128 41.946 42.059 -0.401 0.000 1.193 651 L HN 0.208 nan 8.230 nan 0.000 0.502 652 T N 0.053 114.483 114.554 -0.206 0.000 2.824 652 T HA 0.524 4.865 4.350 -0.016 0.000 0.280 652 T C 0.588 175.210 174.700 -0.131 0.000 0.995 652 T CA -0.428 61.561 62.100 -0.186 0.000 1.009 652 T CB 2.119 70.881 68.868 -0.176 0.000 0.955 652 T HN 0.212 nan 8.240 nan 0.000 0.452 653 G N 1.077 109.800 108.800 -0.128 0.000 2.588 653 G HA2 0.528 4.478 3.960 -0.016 0.000 0.278 653 G HA3 0.528 4.478 3.960 -0.016 0.000 0.278 653 G C 0.114 174.957 174.900 -0.095 0.000 1.307 653 G CA -0.673 44.359 45.100 -0.112 0.000 1.016 653 G HN 1.003 nan 8.290 nan 0.000 0.503 654 A N -0.403 122.339 122.820 -0.130 0.000 2.498 654 A HA 0.541 4.852 4.320 -0.016 0.000 0.239 654 A C 0.897 178.441 177.584 -0.068 0.000 1.068 654 A CA 0.660 52.622 52.037 -0.125 0.000 0.766 654 A CB -0.270 18.464 19.000 -0.443 0.000 1.003 654 A HN 1.249 nan 8.150 nan 0.000 0.497 655 T N 0.203 114.792 114.554 0.060 0.000 2.932 655 T HA 0.573 4.914 4.350 -0.016 0.000 0.289 655 T C -2.353 172.448 174.700 0.168 0.000 1.039 655 T CA -1.875 60.270 62.100 0.075 0.000 1.024 655 T CB 1.535 70.435 68.868 0.053 0.000 1.090 655 T HN 0.249 nan 8.240 nan 0.000 0.496 656 P HA -0.112 nan 4.420 nan 0.000 0.224 656 P C 0.838 178.194 177.300 0.093 0.000 1.142 656 P CA 0.995 64.163 63.100 0.113 0.000 0.778 656 P CB -0.083 31.640 31.700 0.039 0.000 0.764 657 D N -2.448 118.004 120.400 0.086 0.000 2.340 657 D HA 0.074 4.704 4.640 -0.016 0.000 0.220 657 D C 1.487 177.801 176.300 0.024 0.000 1.039 657 D CA 0.723 54.751 54.000 0.047 0.000 0.866 657 D CB -0.755 40.074 40.800 0.049 0.000 0.913 657 D HN 0.223 nan 8.370 nan 0.000 0.523 658 G N 0.621 109.456 108.800 0.058 0.000 2.195 658 G HA2 -0.287 3.663 3.960 -0.016 0.000 0.224 658 G HA3 -0.287 3.663 3.960 -0.016 0.000 0.224 658 G C 0.274 175.179 174.900 0.009 0.000 0.990 658 G CA -0.086 44.943 45.100 -0.119 0.000 0.639 658 G HN 0.577 nan 8.290 nan 0.000 0.514 659 R N 1.527 122.112 120.500 0.142 0.000 2.401 659 R HA 0.389 4.719 4.340 -0.016 0.000 0.299 659 R C 0.359 176.824 176.300 0.276 0.000 1.064 659 R CA -0.186 56.003 56.100 0.149 0.000 1.000 659 R CB 0.262 30.619 30.300 0.095 0.000 0.973 659 R HN 0.242 nan 8.270 nan 0.000 0.438 660 K N 2.218 122.759 120.400 0.235 0.000 2.202 660 K HA 0.014 4.324 4.320 -0.016 0.000 0.264 660 K C 0.184 176.833 176.600 0.081 0.000 1.010 660 K CA -0.154 56.269 56.287 0.228 0.000 0.940 660 K CB 1.100 33.712 32.500 0.187 0.000 0.983 660 K HN 0.576 nan 8.250 nan 0.000 0.475 661 S N 0.528 116.235 115.700 0.011 0.000 2.561 661 S HA 0.069 4.529 4.470 -0.016 0.000 0.294 661 S C 1.281 175.869 174.600 -0.021 0.000 1.294 661 S CA 1.255 59.434 58.200 -0.036 0.000 1.055 661 S CB -0.273 62.884 63.200 -0.071 0.000 0.819 661 S HN 0.848 nan 8.310 nan 0.000 0.503 662 G N 3.163 111.940 108.800 -0.039 0.000 2.212 662 G HA2 -0.210 3.740 3.960 -0.016 0.000 0.266 662 G HA3 -0.210 3.740 3.960 -0.016 0.000 0.266 662 G C 0.100 174.991 174.900 -0.015 0.000 0.978 662 G CA 0.415 45.494 45.100 -0.035 0.000 0.632 662 G HN 0.750 nan 8.290 nan 0.000 0.537 663 Q N 0.915 120.716 119.800 0.001 0.000 2.354 663 Q HA 0.371 4.701 4.340 -0.016 0.000 0.244 663 Q C -2.230 173.776 176.000 0.010 0.000 0.969 663 Q CA -1.550 54.261 55.803 0.013 0.000 0.885 663 Q CB 0.522 29.278 28.738 0.029 0.000 1.241 663 Q HN 0.242 nan 8.270 nan 0.000 0.461 664 P HA 0.041 nan 4.420 nan 0.000 0.269 664 P C -0.323 176.995 177.300 0.030 0.000 1.215 664 P CA 0.188 63.302 63.100 0.023 0.000 0.780 664 P CB 0.495 32.209 31.700 0.024 0.000 0.898 665 L N 1.085 122.331 121.223 0.039 0.000 2.431 665 L HA 0.539 4.869 4.340 -0.016 0.000 0.260 665 L C 0.931 177.838 176.870 0.061 0.000 1.098 665 L CA -1.148 53.721 54.840 0.049 0.000 0.800 665 L CB 0.432 42.527 42.059 0.059 0.000 1.210 665 L HN 0.361 nan 8.230 nan 0.000 0.465 666 A N 0.780 123.645 122.820 0.076 0.000 2.425 666 A HA 0.173 4.483 4.320 -0.016 0.000 0.242 666 A C -0.466 177.181 177.584 0.105 0.000 1.077 666 A CA -0.500 51.596 52.037 0.099 0.000 0.781 666 A CB -0.053 19.025 19.000 0.129 0.000 1.020 666 A HN 0.733 nan 8.150 nan 0.000 0.494 667 D N 1.616 122.088 120.400 0.120 0.000 2.277 667 D HA 0.442 5.072 4.640 -0.016 0.000 0.249 667 D C 0.884 177.296 176.300 0.186 0.000 1.134 667 D CA 0.482 54.562 54.000 0.133 0.000 0.863 667 D CB 0.734 41.606 40.800 0.120 0.000 1.143 667 D HN 1.175 nan 8.370 nan 0.000 0.458 668 G N 1.971 110.887 108.800 0.193 0.000 2.611 668 G HA2 -0.323 3.627 3.960 -0.016 0.000 0.301 668 G HA3 -0.323 3.627 3.960 -0.016 0.000 0.301 668 G C 0.742 175.769 174.900 0.212 0.000 1.233 668 G CA 1.328 46.566 45.100 0.230 0.000 0.993 668 G HN 1.303 nan 8.290 nan 0.000 0.553 669 V N -2.185 117.881 119.914 0.254 0.000 3.271 669 V HA 0.626 4.736 4.120 -0.016 0.000 0.327 669 V C 0.925 177.186 176.094 0.279 0.000 1.389 669 V CA 0.878 63.316 62.300 0.230 0.000 1.156 669 V CB 0.044 31.989 31.823 0.204 0.000 1.103 669 V HN 0.832 nan 8.190 nan 0.000 0.453 670 S N 2.672 118.565 115.700 0.321 0.000 2.585 670 S HA 0.455 4.915 4.470 -0.016 0.000 0.273 670 S C -2.215 172.564 174.600 0.298 0.000 1.339 670 S CA -0.380 58.032 58.200 0.354 0.000 1.028 670 S CB 0.868 64.297 63.200 0.382 0.000 0.906 670 S HN 0.382 nan 8.310 nan 0.000 0.528 671 P HA 0.186 nan 4.420 nan 0.000 0.272 671 P C -0.522 176.876 177.300 0.163 0.000 1.240 671 P CA -0.276 62.908 63.100 0.140 0.000 0.791 671 P CB 0.421 32.071 31.700 -0.084 0.000 0.978 672 S N 0.821 116.618 115.700 0.163 0.000 2.579 672 S HA 0.089 4.550 4.470 -0.016 0.000 0.275 672 S C 0.253 174.890 174.600 0.061 0.000 1.345 672 S CA -0.502 57.763 58.200 0.108 0.000 1.031 672 S CB -0.025 63.234 63.200 0.098 0.000 0.892 672 S HN 0.396 nan 8.310 nan 0.000 0.529 673 R N 1.019 121.543 120.500 0.041 0.000 2.494 673 R HA 0.264 4.594 4.340 -0.016 0.000 0.291 673 R C 1.096 177.391 176.300 -0.007 0.000 0.953 673 R CA 0.563 56.668 56.100 0.007 0.000 1.098 673 R CB -0.878 29.424 30.300 0.004 0.000 0.911 673 R HN 0.881 nan 8.270 nan 0.000 0.407 674 G N 1.894 110.672 108.800 -0.036 0.000 2.189 674 G HA2 -0.377 3.573 3.960 -0.016 0.000 0.267 674 G HA3 -0.377 3.573 3.960 -0.016 0.000 0.267 674 G C 0.814 175.701 174.900 -0.022 0.000 0.975 674 G CA 0.321 45.396 45.100 -0.041 0.000 0.644 674 G HN 0.728 nan 8.290 nan 0.000 0.537 675 C N 1.445 120.744 119.300 -0.001 0.000 2.485 675 C HA 0.205 4.655 4.460 -0.016 0.000 0.277 675 C C 1.190 176.184 174.990 0.007 0.000 1.376 675 C CA 0.339 59.364 59.018 0.011 0.000 1.759 675 C CB -0.401 27.362 27.740 0.039 0.000 1.970 675 C HN 0.716 nan 8.230 nan 0.000 0.509 676 D N 1.961 122.367 120.400 0.009 0.000 2.435 676 D HA 0.154 4.784 4.640 -0.016 0.000 0.230 676 D C 0.576 176.916 176.300 0.067 0.000 1.215 676 D CA 0.099 54.121 54.000 0.036 0.000 0.947 676 D CB 0.443 41.295 40.800 0.086 0.000 1.048 676 D HN 0.390 nan 8.370 nan 0.000 0.512 677 V N -0.335 119.603 119.914 0.040 0.000 3.121 677 V HA 0.251 4.362 4.120 -0.016 0.000 0.344 677 V C 0.522 176.642 176.094 0.043 0.000 1.390 677 V CA -0.345 61.976 62.300 0.035 0.000 1.177 677 V CB -0.146 31.681 31.823 0.006 0.000 1.163 677 V HN 0.278 nan 8.190 nan 0.000 0.484 678 S N 1.248 116.978 115.700 0.051 0.000 2.664 678 S HA 0.682 5.142 4.470 -0.016 0.000 0.245 678 S C 0.849 175.462 174.600 0.022 0.000 1.019 678 S CA 0.222 58.439 58.200 0.028 0.000 0.996 678 S CB 0.320 63.526 63.200 0.010 0.000 0.878 678 S HN 1.574 nan 8.310 nan 0.000 0.493 679 G N 3.167 111.999 108.800 0.053 0.000 2.690 679 G HA2 -0.121 3.829 3.960 -0.016 0.000 0.686 679 G HA3 -0.121 3.829 3.960 -0.016 0.000 0.686 679 G C -2.242 172.496 174.900 -0.270 0.000 1.277 679 G CA -0.555 44.530 45.100 -0.025 0.000 0.799 679 G HN 0.055 nan 8.290 nan 0.000 0.613 680 P HA -0.107 nan 4.420 nan 0.000 0.217 680 P C 1.736 178.926 177.300 -0.184 0.000 1.150 680 P CA 2.215 64.978 63.100 -0.561 0.000 0.832 680 P CB -0.030 31.494 31.700 -0.294 0.000 0.787 681 T N 0.369 114.873 114.554 -0.084 0.000 2.737 681 T HA -0.058 4.282 4.350 -0.016 0.000 0.265 681 T C 2.120 176.817 174.700 -0.006 0.000 1.038 681 T CA 1.717 63.808 62.100 -0.015 0.000 1.144 681 T CB -0.836 68.031 68.868 -0.002 0.000 0.866 681 T HN 0.090 nan 8.240 nan 0.000 0.434 682 A N 1.429 124.231 122.820 -0.029 0.000 1.940 682 A HA 0.106 4.416 4.320 -0.016 0.000 0.219 682 A C 2.615 180.175 177.584 -0.039 0.000 1.176 682 A CA 1.902 53.928 52.037 -0.019 0.000 0.631 682 A CB -1.061 17.927 19.000 -0.020 0.000 0.814 682 A HN 0.511 nan 8.150 nan 0.000 0.446 683 A N -0.942 121.837 122.820 -0.068 0.000 1.877 683 A HA -0.167 4.143 4.320 -0.016 0.000 0.216 683 A C 2.312 179.865 177.584 -0.052 0.000 1.186 683 A CA 1.641 53.627 52.037 -0.086 0.000 0.620 683 A CB -1.332 17.651 19.000 -0.027 0.000 0.822 683 A HN 0.603 nan 8.150 nan 0.000 0.443 684 C N -0.151 119.179 119.300 0.050 0.000 2.413 684 C HA -0.115 4.335 4.460 -0.016 0.000 0.277 684 C C 2.668 177.776 174.990 0.196 0.000 1.265 684 C CA 1.212 60.292 59.018 0.104 0.000 1.752 684 C CB -1.548 26.283 27.740 0.153 0.000 1.998 684 C HN 0.646 nan 8.230 nan 0.000 0.489 685 N N 1.043 119.819 118.700 0.127 0.000 2.084 685 N HA -0.097 4.633 4.740 -0.016 0.000 0.190 685 N C 1.937 177.519 175.510 0.120 0.000 1.030 685 N CA 1.506 54.636 53.050 0.134 0.000 0.849 685 N CB -0.632 37.906 38.487 0.084 0.000 1.012 685 N HN 0.435 nan 8.380 nan 0.000 0.423 686 S N 0.319 116.035 115.700 0.027 0.000 2.351 686 S HA -0.068 4.392 4.470 -0.016 0.000 0.220 686 S C 2.223 176.925 174.600 0.170 0.000 1.035 686 S CA 1.038 59.252 58.200 0.024 0.000 1.031 686 S CB -0.382 62.647 63.200 -0.285 0.000 0.928 686 S HN 0.095 nan 8.310 nan 0.000 0.433 687 V N 2.526 122.447 119.914 0.011 0.000 2.392 687 V HA -0.170 3.941 4.120 -0.016 0.000 0.249 687 V C 2.566 178.934 176.094 0.456 0.000 1.059 687 V CA 1.888 64.302 62.300 0.189 0.000 1.051 687 V CB -1.156 30.424 31.823 -0.404 0.000 0.658 687 V HN 0.716 nan 8.190 nan 0.000 0.455 688 S N -0.212 115.753 115.700 0.442 0.000 2.507 688 S HA -0.165 4.295 4.470 -0.016 0.000 0.235 688 S C 1.733 176.530 174.600 0.328 0.000 0.988 688 S CA 1.107 59.530 58.200 0.373 0.000 0.944 688 S CB -0.449 62.902 63.200 0.251 0.000 0.762 688 S HN 0.674 nan 8.310 nan 0.000 0.526 689 K N 0.455 121.033 120.400 0.297 0.000 2.366 689 K HA 0.250 4.560 4.320 -0.016 0.000 0.198 689 K C 0.507 177.229 176.600 0.204 0.000 1.044 689 K CA 0.116 56.542 56.287 0.232 0.000 0.973 689 K CB -0.244 32.380 32.500 0.207 0.000 0.767 689 K HN 0.424 nan 8.250 nan 0.000 0.475 690 L N 1.318 122.661 121.223 0.199 0.000 2.474 690 L HA 0.021 4.351 4.340 -0.016 0.000 0.259 690 L C 0.527 177.417 176.870 0.034 0.000 1.232 690 L CA -0.321 54.540 54.840 0.035 0.000 0.821 690 L CB 0.131 42.110 42.059 -0.134 0.000 1.108 690 L HN 0.045 nan 8.230 nan 0.000 0.495 691 D N -0.320 120.074 120.400 -0.009 0.000 2.441 691 D HA 0.049 4.679 4.640 -0.016 0.000 0.221 691 D C 0.778 177.095 176.300 0.028 0.000 1.156 691 D CA -0.060 54.003 54.000 0.106 0.000 0.896 691 D CB 0.401 41.266 40.800 0.109 0.000 1.028 691 D HN 0.392 nan 8.370 nan 0.000 0.509 692 H N 3.035 122.226 119.070 0.201 0.000 2.548 692 H HA -0.000 4.546 4.556 -0.016 0.000 0.265 692 H C 0.993 176.387 175.328 0.109 0.000 0.969 692 H CA 0.286 56.413 56.048 0.132 0.000 1.155 692 H CB 0.503 30.334 29.762 0.114 0.000 1.394 692 H HN 0.440 nan 8.280 nan 0.000 0.570 693 F N 0.229 120.309 119.950 0.217 0.000 2.219 693 F HA -0.021 4.496 4.527 -0.016 0.000 0.294 693 F C 2.568 178.428 175.800 0.100 0.000 1.086 693 F CA 0.399 58.492 58.000 0.155 0.000 1.330 693 F CB -0.193 38.865 39.000 0.097 0.000 1.047 693 F HN 0.023 nan 8.300 nan 0.000 0.495 694 I N -0.002 120.726 120.570 0.263 0.000 2.315 694 I HA -0.098 4.062 4.170 -0.016 0.000 0.248 694 I C 1.500 177.662 176.117 0.074 0.000 1.117 694 I CA 0.583 61.963 61.300 0.134 0.000 1.404 694 I CB -0.134 37.920 38.000 0.090 0.000 1.071 694 I HN 0.022 nan 8.210 nan 0.000 0.419 695 A N 0.543 123.394 122.820 0.052 0.000 3.077 695 A HA 0.131 4.441 4.320 -0.016 0.000 0.255 695 A C 1.547 179.102 177.584 -0.049 0.000 1.728 695 A CA 0.448 52.480 52.037 -0.009 0.000 1.383 695 A CB -0.883 18.088 19.000 -0.049 0.000 1.097 695 A HN 0.544 nan 8.150 nan 0.000 0.634 696 S N 0.014 115.720 115.700 0.009 0.000 2.547 696 S HA -0.121 4.339 4.470 -0.016 0.000 0.235 696 S C 1.239 175.833 174.600 -0.010 0.000 0.980 696 S CA 1.102 59.321 58.200 0.031 0.000 0.941 696 S CB -0.361 62.835 63.200 -0.005 0.000 0.763 696 S HN 0.654 nan 8.310 nan 0.000 0.532 697 N N 1.854 120.540 118.700 -0.024 0.000 2.383 697 N HA 0.291 5.021 4.740 -0.016 0.000 0.192 697 N C 0.473 176.011 175.510 0.047 0.000 1.141 697 N CA 0.781 53.870 53.050 0.064 0.000 0.851 697 N CB 0.035 38.580 38.487 0.098 0.000 0.976 697 N HN 0.635 nan 8.380 nan 0.000 0.465 698 G N -0.607 108.045 108.800 -0.247 0.000 2.788 698 G HA2 -0.072 3.878 3.960 -0.016 0.000 0.686 698 G HA3 -0.072 3.878 3.960 -0.016 0.000 0.686 698 G C -0.560 174.092 174.900 -0.413 0.000 1.147 698 G CA -0.402 44.318 45.100 -0.633 0.000 0.755 698 G HN 0.428 nan 8.290 nan 0.000 0.634 699 T N -0.921 113.272 114.554 -0.602 0.000 2.887 699 T HA 0.772 5.113 4.350 -0.016 0.000 0.288 699 T C -0.209 174.570 174.700 0.132 0.000 1.021 699 T CA -0.752 61.315 62.100 -0.055 0.000 1.000 699 T CB 2.313 71.242 68.868 0.102 0.000 1.034 699 T HN 1.552 nan 8.240 nan 0.000 0.467 700 L N 3.264 124.630 121.223 0.239 0.000 2.333 700 L HA 0.776 5.107 4.340 -0.016 0.000 0.280 700 L C -1.712 175.470 176.870 0.520 0.000 1.004 700 L CA -1.100 53.892 54.840 0.255 0.000 0.820 700 L CB 1.416 43.574 42.059 0.164 0.000 1.247 700 L HN 0.781 nan 8.230 nan 0.000 0.416 701 F N 5.264 125.512 119.950 0.496 0.000 2.460 701 F HA 0.528 5.045 4.527 -0.016 0.000 0.341 701 F C -0.736 175.099 175.800 0.059 0.000 1.130 701 F CA -1.093 57.045 58.000 0.231 0.000 0.962 701 F CB 1.213 40.303 39.000 0.151 0.000 1.171 701 F HN 0.434 nan 8.300 nan 0.000 0.436 702 N N 4.990 123.775 118.700 0.142 0.000 2.443 702 N HA 0.397 5.127 4.740 -0.016 0.000 0.295 702 N C -1.205 174.080 175.510 -0.376 0.000 1.076 702 N CA -0.296 52.662 53.050 -0.152 0.000 0.919 702 N CB 1.984 40.484 38.487 0.022 0.000 1.176 702 N HN 0.657 nan 8.380 nan 0.000 0.487 703 Q N 0.813 120.353 119.800 -0.434 0.000 2.345 703 Q HA 0.321 4.652 4.340 -0.016 0.000 0.275 703 Q C -1.244 174.697 176.000 -0.098 0.000 1.063 703 Q CA -0.639 54.980 55.803 -0.305 0.000 0.819 703 Q CB 2.986 31.485 28.738 -0.398 0.000 1.356 703 Q HN 0.377 nan 8.270 nan 0.000 0.418 704 K N 2.631 122.946 120.400 -0.143 0.000 2.376 704 K HA 0.533 4.844 4.320 -0.016 0.000 0.257 704 K C -1.627 174.859 176.600 -0.190 0.000 0.939 704 K CA -0.300 55.943 56.287 -0.073 0.000 0.809 704 K CB 0.910 33.366 32.500 -0.073 0.000 1.121 704 K HN 0.368 nan 8.250 nan 0.000 0.425 705 F N 2.117 122.113 119.950 0.077 0.000 2.492 705 F HA 0.257 4.774 4.527 -0.016 0.000 0.327 705 F C 0.620 176.444 175.800 0.041 0.000 1.079 705 F CA -0.792 57.247 58.000 0.065 0.000 0.967 705 F CB 1.244 40.250 39.000 0.010 0.000 1.169 705 F HN 0.527 nan 8.300 nan 0.000 0.472 706 H N 4.046 123.237 119.070 0.201 0.000 2.732 706 H HA 0.130 4.677 4.556 -0.016 0.000 0.351 706 H C -1.969 173.412 175.328 0.089 0.000 1.090 706 H CA -1.540 54.564 56.048 0.093 0.000 1.431 706 H CB 1.730 31.530 29.762 0.065 0.000 1.447 706 H HN 0.309 nan 8.280 nan 0.000 0.582 707 P HA -0.201 nan 4.420 nan 0.000 0.217 707 P C 1.592 178.927 177.300 0.057 0.000 1.148 707 P CA 2.205 65.235 63.100 -0.116 0.000 0.828 707 P CB 0.106 31.677 31.700 -0.216 0.000 0.783 708 S N -0.559 115.339 115.700 0.329 0.000 2.419 708 S HA -0.158 4.302 4.470 -0.016 0.000 0.233 708 S C 2.064 176.724 174.600 0.101 0.000 1.016 708 S CA 1.133 59.472 58.200 0.231 0.000 0.974 708 S CB -1.416 61.925 63.200 0.234 0.000 0.786 708 S HN 0.141 nan 8.310 nan 0.000 0.492 709 A N 0.917 123.808 122.820 0.120 0.000 2.070 709 A HA 0.201 4.511 4.320 -0.016 0.000 0.220 709 A C 1.801 179.284 177.584 -0.168 0.000 1.159 709 A CA 1.123 53.146 52.037 -0.023 0.000 0.656 709 A CB -0.467 18.550 19.000 0.030 0.000 0.800 709 A HN 0.530 nan 8.150 nan 0.000 0.453 710 L N -1.068 120.077 121.223 -0.129 0.000 2.857 710 L HA 0.233 4.563 4.340 -0.016 0.000 0.249 710 L C 0.651 177.464 176.870 -0.096 0.000 1.172 710 L CA 0.040 54.781 54.840 -0.164 0.000 0.980 710 L CB 0.238 42.190 42.059 -0.178 0.000 1.299 710 L HN 0.198 nan 8.230 nan 0.000 0.535 711 K N 0.967 121.331 120.400 -0.060 0.000 2.401 711 K HA 0.429 4.739 4.320 -0.016 0.000 0.278 711 K C 0.784 177.354 176.600 -0.050 0.000 1.018 711 K CA 0.757 57.021 56.287 -0.039 0.000 0.981 711 K CB 0.316 32.806 32.500 -0.016 0.000 0.933 711 K HN 0.171 nan 8.250 nan 0.000 0.477 712 G N 3.548 112.322 108.800 -0.043 0.000 2.877 712 G HA2 -0.262 3.688 3.960 -0.016 0.000 0.279 712 G HA3 -0.262 3.688 3.960 -0.016 0.000 0.279 712 G C 0.152 175.016 174.900 -0.061 0.000 1.431 712 G CA -0.037 45.035 45.100 -0.047 0.000 0.883 712 G HN 0.811 nan 8.290 nan 0.000 0.547 713 D N 0.264 120.629 120.400 -0.058 0.000 2.149 713 D HA -0.107 4.524 4.640 -0.016 0.000 0.198 713 D C 2.329 178.583 176.300 -0.076 0.000 0.990 713 D CA 1.353 55.314 54.000 -0.065 0.000 0.839 713 D CB -0.149 40.617 40.800 -0.056 0.000 0.948 713 D HN 0.388 nan 8.370 nan 0.000 0.460 714 N N 0.696 119.352 118.700 -0.073 0.000 2.104 714 N HA -0.117 4.613 4.740 -0.016 0.000 0.190 714 N C 2.000 177.441 175.510 -0.115 0.000 1.024 714 N CA 1.332 54.332 53.050 -0.083 0.000 0.853 714 N CB -0.575 37.870 38.487 -0.070 0.000 1.008 714 N HN 0.248 nan 8.380 nan 0.000 0.424 715 G N 1.828 110.557 108.800 -0.119 0.000 2.476 715 G HA2 -0.198 3.753 3.960 -0.016 0.000 0.218 715 G HA3 -0.198 3.753 3.960 -0.016 0.000 0.218 715 G C 1.738 176.514 174.900 -0.207 0.000 1.164 715 G CA 0.522 45.521 45.100 -0.168 0.000 0.768 715 G HN 0.237 nan 8.290 nan 0.000 0.560 716 L N -0.053 121.075 121.223 -0.158 0.000 2.046 716 L HA -0.082 4.248 4.340 -0.016 0.000 0.208 716 L C 3.173 179.943 176.870 -0.166 0.000 1.077 716 L CA 0.799 55.544 54.840 -0.158 0.000 0.747 716 L CB -0.423 41.572 42.059 -0.106 0.000 0.896 716 L HN 0.173 nan 8.230 nan 0.000 0.432 717 M N -0.195 119.323 119.600 -0.137 0.000 2.080 717 M HA -0.190 4.280 4.480 -0.016 0.000 0.260 717 M C 2.050 178.257 176.300 -0.156 0.000 1.068 717 M CA 1.679 56.905 55.300 -0.124 0.000 1.109 717 M CB -1.358 31.185 32.600 -0.096 0.000 1.342 717 M HN 0.316 nan 8.290 nan 0.000 0.405 718 N N 0.651 119.241 118.700 -0.183 0.000 2.166 718 N HA -0.104 4.626 4.740 -0.016 0.000 0.186 718 N C 1.792 177.122 175.510 -0.299 0.000 1.019 718 N CA 0.847 53.770 53.050 -0.212 0.000 0.856 718 N CB -0.494 37.864 38.487 -0.214 0.000 0.993 718 N HN 0.282 nan 8.380 nan 0.000 0.426 719 L N 0.647 121.633 121.223 -0.395 0.000 2.056 719 L HA -0.053 4.277 4.340 -0.016 0.000 0.207 719 L C 2.248 178.861 176.870 -0.430 0.000 1.078 719 L CA 1.400 55.906 54.840 -0.557 0.000 0.749 719 L CB -0.960 40.715 42.059 -0.639 0.000 0.901 719 L HN 0.119 nan 8.230 nan 0.000 0.433 720 S N -1.096 114.422 115.700 -0.304 0.000 2.368 720 S HA -0.207 4.253 4.470 -0.016 0.000 0.225 720 S C 2.303 176.788 174.600 -0.191 0.000 1.030 720 S CA 1.928 59.990 58.200 -0.229 0.000 0.999 720 S CB -0.216 62.897 63.200 -0.144 0.000 0.844 720 S HN 0.613 nan 8.310 nan 0.000 0.459 721 S N 0.360 115.961 115.700 -0.164 0.000 2.383 721 S HA -0.058 4.402 4.470 -0.016 0.000 0.227 721 S C 1.835 176.368 174.600 -0.113 0.000 1.026 721 S CA 1.258 59.388 58.200 -0.116 0.000 0.981 721 S CB -0.638 62.502 63.200 -0.099 0.000 0.818 721 S HN 0.506 nan 8.310 nan 0.000 0.472 722 L N 1.692 122.822 121.223 -0.156 0.000 2.017 722 L HA 0.037 4.368 4.340 -0.016 0.000 0.208 722 L C 2.083 178.897 176.870 -0.094 0.000 1.073 722 L CA 1.807 56.581 54.840 -0.110 0.000 0.745 722 L CB -0.630 41.336 42.059 -0.154 0.000 0.894 722 L HN 0.417 nan 8.230 nan 0.000 0.432 723 I N -0.817 119.625 120.570 -0.212 0.000 2.179 723 I HA -0.314 3.846 4.170 -0.016 0.000 0.242 723 I C 2.684 178.607 176.117 -0.323 0.000 1.088 723 I CA 1.395 62.482 61.300 -0.355 0.000 1.357 723 I CB -0.385 37.268 38.000 -0.578 0.000 1.051 723 I HN 0.240 nan 8.210 nan 0.000 0.409 724 R N 0.108 120.503 120.500 -0.176 0.000 2.096 724 R HA -0.170 4.160 4.340 -0.016 0.000 0.235 724 R C 2.584 178.904 176.300 0.033 0.000 1.127 724 R CA 1.697 57.772 56.100 -0.042 0.000 0.968 724 R CB -0.384 29.903 30.300 -0.021 0.000 0.861 724 R HN 0.281 nan 8.270 nan 0.000 0.440 725 S N -0.159 115.558 115.700 0.029 0.000 2.382 725 S HA -0.194 4.266 4.470 -0.016 0.000 0.228 725 S C 1.792 176.484 174.600 0.154 0.000 1.027 725 S CA 1.079 59.325 58.200 0.077 0.000 0.991 725 S CB -0.258 62.979 63.200 0.061 0.000 0.823 725 S HN 0.448 nan 8.310 nan 0.000 0.469 726 Y N 1.021 121.338 120.300 0.029 0.000 2.200 726 Y HA 0.034 4.575 4.550 -0.016 0.000 0.290 726 Y C 1.740 177.788 175.900 0.247 0.000 1.137 726 Y CA 1.394 59.560 58.100 0.109 0.000 1.163 726 Y CB -0.682 37.833 38.460 0.091 0.000 0.988 726 Y HN 0.303 nan 8.280 nan 0.000 0.518 727 F N 0.800 120.703 119.950 -0.079 0.000 2.234 727 F HA -0.122 4.396 4.527 -0.016 0.000 0.299 727 F C 2.046 177.779 175.800 -0.112 0.000 1.087 727 F CA 1.172 59.064 58.000 -0.179 0.000 1.340 727 F CB -1.055 37.926 39.000 -0.030 0.000 1.031 727 F HN 0.127 nan 8.300 nan 0.000 0.500 728 D N -0.297 120.197 120.400 0.157 0.000 2.178 728 D HA -0.149 4.481 4.640 -0.016 0.000 0.201 728 D C 1.767 178.110 176.300 0.072 0.000 0.980 728 D CA 0.957 55.018 54.000 0.102 0.000 0.842 728 D CB -0.382 40.471 40.800 0.088 0.000 0.948 728 D HN 0.368 nan 8.370 nan 0.000 0.472 729 Q N 0.115 119.947 119.800 0.053 0.000 2.322 729 Q HA 0.045 4.375 4.340 -0.016 0.000 0.203 729 Q C -0.213 175.794 176.000 0.012 0.000 0.923 729 Q CA 0.029 55.865 55.803 0.055 0.000 0.949 729 Q CB 0.406 29.199 28.738 0.091 0.000 1.039 729 Q HN -0.030 nan 8.270 nan 0.000 0.496 730 K N -1.265 119.099 120.400 -0.059 0.000 3.299 730 K HA -0.106 4.204 4.320 -0.016 0.000 0.284 730 K C -0.057 176.310 176.600 -0.388 0.000 1.235 730 K CA 0.788 56.996 56.287 -0.132 0.000 0.833 730 K CB -2.265 30.302 32.500 0.112 0.000 1.330 730 K HN 0.451 nan 8.250 nan 0.000 0.510 731 G N 0.042 108.425 108.800 -0.695 0.000 2.442 731 G HA2 0.342 4.293 3.960 -0.016 0.000 0.249 731 G HA3 0.342 4.293 3.960 -0.016 0.000 0.249 731 G C 0.773 175.241 174.900 -0.720 0.000 1.263 731 G CA -0.462 43.868 45.100 -1.282 0.000 0.846 731 G HN 0.143 nan 8.290 nan 0.000 0.555 732 F N 1.099 120.634 119.950 -0.691 0.000 2.118 732 F HA 0.139 4.657 4.527 -0.017 0.000 0.293 732 F C 1.224 177.033 175.800 0.015 0.000 1.102 732 F CA 1.594 59.452 58.000 -0.236 0.000 1.247 732 F CB 0.365 39.427 39.000 0.104 0.000 1.017 732 F HN 0.558 nan 8.300 nan 0.000 0.475 733 H N -0.969 118.419 119.070 0.530 0.000 3.042 733 H HA 0.531 5.077 4.556 -0.016 0.000 0.346 733 H C -1.938 173.730 175.328 0.567 0.000 1.294 733 H CA -0.742 55.583 56.048 0.462 0.000 1.141 733 H CB 1.480 31.376 29.762 0.225 0.000 1.872 733 H HN -0.013 nan 8.280 nan 0.000 0.541 734 V N 3.427 122.993 119.914 -0.580 0.000 3.048 734 V HA 0.441 4.551 4.120 -0.016 0.000 0.303 734 V C -1.751 173.785 176.094 -0.931 0.000 1.214 734 V CA -0.335 61.513 62.300 -0.754 0.000 0.984 734 V CB 2.146 33.658 31.823 -0.518 0.000 1.054 734 V HN 1.033 nan 8.190 nan 0.000 0.430 735 Q N 4.078 123.283 119.800 -0.993 0.000 2.418 735 Q HA 0.701 5.031 4.340 -0.016 0.000 0.282 735 Q C -2.201 173.299 176.000 -0.833 0.000 1.044 735 Q CA -0.743 54.704 55.803 -0.594 0.000 0.813 735 Q CB 2.620 31.273 28.738 -0.143 0.000 1.428 735 Q HN 0.506 nan 8.270 nan 0.000 0.402 736 F N 0.364 120.341 119.950 0.044 0.000 2.551 736 F HA 0.497 5.014 4.527 -0.016 0.000 0.316 736 F C -0.061 175.772 175.800 0.055 0.000 1.089 736 F CA -0.949 57.080 58.000 0.048 0.000 0.915 736 F CB 1.979 41.054 39.000 0.126 0.000 1.186 736 F HN 0.468 nan 8.300 nan 0.000 0.456 737 N N 1.136 119.969 118.700 0.220 0.000 2.421 737 N HA 0.543 5.274 4.740 -0.016 0.000 0.285 737 N C -1.325 174.275 175.510 0.149 0.000 1.027 737 N CA -0.199 52.922 53.050 0.119 0.000 0.918 737 N CB 2.127 40.639 38.487 0.041 0.000 1.152 737 N HN 0.376 nan 8.380 nan 0.000 0.485 738 V N 4.789 124.759 119.914 0.093 0.000 2.383 738 V HA 0.480 4.590 4.120 -0.016 0.000 0.264 738 V C -0.108 175.978 176.094 -0.013 0.000 1.001 738 V CA -0.491 61.849 62.300 0.067 0.000 0.828 738 V CB 0.423 32.279 31.823 0.055 0.000 1.069 738 V HN 0.549 nan 8.190 nan 0.000 0.451 739 I N 1.320 121.858 120.570 -0.052 0.000 2.913 739 I HA 0.524 4.684 4.170 -0.016 0.000 0.302 739 I C -1.247 174.775 176.117 -0.157 0.000 1.246 739 I CA -0.545 60.690 61.300 -0.108 0.000 1.010 739 I CB 2.758 40.685 38.000 -0.121 0.000 1.259 739 I HN 0.439 nan 8.210 nan 0.000 0.434 740 D N 5.274 125.570 120.400 -0.175 0.000 2.348 740 D HA 0.062 4.692 4.640 -0.016 0.000 0.253 740 D C 0.802 177.005 176.300 -0.162 0.000 1.161 740 D CA 0.275 54.165 54.000 -0.185 0.000 0.876 740 D CB 1.511 42.220 40.800 -0.151 0.000 1.160 740 D HN 0.547 nan 8.370 nan 0.000 0.459 741 K N 3.633 123.956 120.400 -0.128 0.000 2.103 741 K HA -0.200 4.110 4.320 -0.016 0.000 0.207 741 K C 1.425 177.947 176.600 -0.131 0.000 1.048 741 K CA 1.227 57.443 56.287 -0.117 0.000 0.930 741 K CB 0.202 32.662 32.500 -0.066 0.000 0.716 741 K HN 0.343 nan 8.250 nan 0.000 0.444 742 K N 0.407 120.742 120.400 -0.108 0.000 2.063 742 K HA -0.135 4.176 4.320 -0.016 0.000 0.208 742 K C 2.050 178.549 176.600 -0.168 0.000 1.048 742 K CA 1.405 57.630 56.287 -0.102 0.000 0.928 742 K CB -0.156 32.307 32.500 -0.062 0.000 0.713 742 K HN 0.165 nan 8.250 nan 0.000 0.442 743 I N 1.547 121.996 120.570 -0.201 0.000 2.208 743 I HA -0.254 3.906 4.170 -0.016 0.000 0.245 743 I C 2.274 178.089 176.117 -0.503 0.000 1.097 743 I CA 1.503 62.616 61.300 -0.312 0.000 1.363 743 I CB -0.961 36.904 38.000 -0.224 0.000 1.051 743 I HN 0.193 nan 8.210 nan 0.000 0.413 744 L N -0.082 120.870 121.223 -0.450 0.000 2.027 744 L HA -0.193 4.137 4.340 -0.016 0.000 0.206 744 L C 2.643 179.317 176.870 -0.327 0.000 1.074 744 L CA 1.148 55.623 54.840 -0.607 0.000 0.745 744 L CB -0.603 41.124 42.059 -0.554 0.000 0.898 744 L HN 0.188 nan 8.230 nan 0.000 0.433 745 L N -0.192 120.909 121.223 -0.202 0.000 2.083 745 L HA -0.190 4.140 4.340 -0.016 0.000 0.209 745 L C 2.859 179.661 176.870 -0.114 0.000 1.083 745 L CA 1.131 55.914 54.840 -0.096 0.000 0.752 745 L CB -0.729 41.288 42.059 -0.070 0.000 0.899 745 L HN 0.254 nan 8.230 nan 0.000 0.433 746 A N -0.051 122.635 122.820 -0.223 0.000 1.969 746 A HA -0.086 4.224 4.320 -0.016 0.000 0.218 746 A C 2.521 179.919 177.584 -0.309 0.000 1.169 746 A CA 1.469 53.371 52.037 -0.226 0.000 0.635 746 A CB -0.511 18.332 19.000 -0.260 0.000 0.810 746 A HN 0.392 nan 8.150 nan 0.000 0.445 747 A N -0.585 121.917 122.820 -0.530 0.000 1.930 747 A HA -0.179 4.131 4.320 -0.016 0.000 0.217 747 A C 2.098 179.742 177.584 0.100 0.000 1.175 747 A CA 1.493 53.380 52.037 -0.250 0.000 0.627 747 A CB -0.474 18.434 19.000 -0.154 0.000 0.815 747 A HN 0.646 nan 8.150 nan 0.000 0.443 748 Q N -0.369 119.498 119.800 0.112 0.000 2.119 748 Q HA -0.136 4.194 4.340 -0.016 0.000 0.201 748 Q C 1.889 177.928 176.000 0.065 0.000 0.972 748 Q CA 1.523 57.391 55.803 0.109 0.000 0.847 748 Q CB -0.150 28.649 28.738 0.101 0.000 0.903 748 Q HN 0.646 nan 8.270 nan 0.000 0.433 749 K N 0.088 120.520 120.400 0.053 0.000 2.186 749 K HA 0.037 4.347 4.320 -0.016 0.000 0.202 749 K C 0.419 177.069 176.600 0.082 0.000 1.052 749 K CA 0.527 56.848 56.287 0.055 0.000 0.965 749 K CB 0.350 32.876 32.500 0.043 0.000 0.746 749 K HN 0.079 nan 8.250 nan 0.000 0.457 750 N N 0.794 119.574 118.700 0.133 0.000 2.791 750 N HA 0.149 4.879 4.740 -0.016 0.000 0.265 750 N C -2.515 173.137 175.510 0.236 0.000 1.580 750 N CA -1.105 52.044 53.050 0.165 0.000 0.809 750 N CB 1.630 40.225 38.487 0.180 0.000 1.178 750 N HN -0.147 nan 8.380 nan 0.000 0.499 751 P HA -0.192 nan 4.420 nan 0.000 0.215 751 P C 0.884 178.278 177.300 0.156 0.000 1.163 751 P CA 1.644 64.850 63.100 0.177 0.000 0.894 751 P CB 0.375 32.134 31.700 0.098 0.000 0.791 752 E N -0.531 119.724 120.200 0.091 0.000 2.333 752 E HA -0.197 4.143 4.350 -0.016 0.000 0.200 752 E C 1.639 178.241 176.600 0.002 0.000 1.010 752 E CA 1.171 57.598 56.400 0.045 0.000 0.841 752 E CB -0.778 28.938 29.700 0.026 0.000 0.757 752 E HN 0.185 nan 8.360 nan 0.000 0.508 753 K N -0.594 119.806 120.400 -0.000 0.000 2.365 753 K HA 0.074 4.384 4.320 -0.016 0.000 0.197 753 K C -0.208 176.058 176.600 -0.556 0.000 1.042 753 K CA 0.480 56.620 56.287 -0.245 0.000 0.987 753 K CB 0.284 32.642 32.500 -0.237 0.000 0.779 753 K HN 0.225 nan 8.250 nan 0.000 0.484 754 Y N 0.107 120.429 120.300 0.037 0.000 2.517 754 Y HA 0.252 4.792 4.550 -0.016 0.000 0.330 754 Y C 0.554 176.489 175.900 0.058 0.000 0.917 754 Y CA -0.557 57.568 58.100 0.042 0.000 1.131 754 Y CB 0.443 38.932 38.460 0.049 0.000 1.175 754 Y HN -0.054 nan 8.280 nan 0.000 0.620 755 Q N 0.510 120.372 119.800 0.102 0.000 2.291 755 Q HA -0.145 4.185 4.340 -0.016 0.000 0.205 755 Q C 0.682 176.736 176.000 0.091 0.000 0.970 755 Q CA 1.564 57.422 55.803 0.092 0.000 0.876 755 Q CB 0.133 28.899 28.738 0.047 0.000 0.935 755 Q HN 0.611 nan 8.270 nan 0.000 0.455 756 D N -0.500 119.948 120.400 0.080 0.000 2.424 756 D HA 0.028 4.658 4.640 -0.016 0.000 0.220 756 D C -0.149 176.203 176.300 0.087 0.000 1.150 756 D CA -0.352 53.690 54.000 0.069 0.000 0.831 756 D CB -0.131 40.691 40.800 0.036 0.000 0.981 756 D HN 0.005 nan 8.370 nan 0.000 0.500 757 L N 1.492 122.796 121.223 0.135 0.000 2.315 757 L HA 0.281 4.611 4.340 -0.016 0.000 0.283 757 L C -0.743 176.191 176.870 0.106 0.000 1.089 757 L CA -0.349 54.562 54.840 0.118 0.000 0.833 757 L CB 0.233 42.379 42.059 0.144 0.000 1.170 757 L HN -0.051 nan 8.230 nan 0.000 0.442 758 I N 6.201 126.806 120.570 0.059 0.000 2.392 758 I HA 0.477 4.637 4.170 -0.016 0.000 0.295 758 I C -0.113 176.022 176.117 0.029 0.000 0.985 758 I CA -0.513 60.821 61.300 0.056 0.000 1.221 758 I CB 1.465 39.488 38.000 0.038 0.000 1.366 758 I HN 0.415 nan 8.210 nan 0.000 0.467 759 V N 6.357 126.300 119.914 0.048 0.000 2.971 759 V HA 0.520 4.630 4.120 -0.016 0.000 0.309 759 V C -0.559 175.528 176.094 -0.012 0.000 1.130 759 V CA -0.845 61.468 62.300 0.022 0.000 0.964 759 V CB 2.802 34.671 31.823 0.077 0.000 1.029 759 V HN 0.823 nan 8.190 nan 0.000 0.427 760 R N 3.181 123.665 120.500 -0.026 0.000 2.340 760 R HA 0.577 4.907 4.340 -0.016 0.000 0.300 760 R C -0.021 176.208 176.300 -0.118 0.000 1.069 760 R CA 0.426 56.484 56.100 -0.069 0.000 0.984 760 R CB 1.302 31.595 30.300 -0.013 0.000 1.003 760 R HN 0.589 nan 8.270 nan 0.000 0.459 761 V N 2.296 122.039 119.914 -0.286 0.000 2.693 761 V HA 0.493 4.603 4.120 -0.016 0.000 0.223 761 V C 0.021 176.039 176.094 -0.126 0.000 1.131 761 V CA 0.756 62.876 62.300 -0.301 0.000 1.177 761 V CB -0.219 31.171 31.823 -0.722 0.000 0.852 761 V HN 0.810 nan 8.190 nan 0.000 0.507 762 A N -0.924 121.843 122.820 -0.089 0.000 2.626 762 A HA 0.570 4.880 4.320 -0.016 0.000 0.293 762 A C 0.461 178.266 177.584 0.368 0.000 1.111 762 A CA 0.480 52.623 52.037 0.177 0.000 0.874 762 A CB 0.496 19.633 19.000 0.227 0.000 1.451 762 A HN 1.617 nan 8.150 nan 0.000 0.396 763 G N 0.692 109.674 108.800 0.303 0.000 2.199 763 G HA2 -0.117 3.833 3.960 -0.016 0.000 0.254 763 G HA3 -0.117 3.833 3.960 -0.016 0.000 0.254 763 G C 0.019 175.202 174.900 0.471 0.000 0.982 763 G CA 1.036 46.341 45.100 0.342 0.000 0.632 763 G HN 2.409 nan 8.290 nan 0.000 0.529 764 Y N -1.479 118.929 120.300 0.179 0.000 2.656 764 Y HA 0.771 5.311 4.550 -0.016 0.000 0.334 764 Y C -0.308 175.635 175.900 0.072 0.000 1.179 764 Y CA -0.815 57.352 58.100 0.112 0.000 1.050 764 Y CB 0.625 39.119 38.460 0.057 0.000 1.308 764 Y HN 0.203 nan 8.280 nan 0.000 0.456 765 S N 0.905 116.618 115.700 0.023 0.000 2.621 765 S HA 0.962 5.422 4.470 -0.016 0.000 0.302 765 S C -0.788 173.798 174.600 -0.023 0.000 1.093 765 S CA -0.222 57.937 58.200 -0.067 0.000 1.017 765 S CB 1.560 64.767 63.200 0.012 0.000 1.077 765 S HN 1.050 nan 8.310 nan 0.000 0.517 766 A N 1.169 123.968 122.820 -0.036 0.000 2.594 766 A HA 0.613 4.923 4.320 -0.016 0.000 0.291 766 A C -1.083 176.540 177.584 0.065 0.000 1.105 766 A CA -0.733 51.324 52.037 0.034 0.000 0.694 766 A CB 1.114 20.125 19.000 0.018 0.000 1.291 766 A HN 0.703 nan 8.150 nan 0.000 0.410 767 Q N 1.042 120.892 119.800 0.083 0.000 2.300 767 Q HA 0.155 4.485 4.340 -0.016 0.000 0.262 767 Q C 0.211 176.273 176.000 0.103 0.000 1.109 767 Q CA -0.215 55.653 55.803 0.107 0.000 0.905 767 Q CB -0.075 28.730 28.738 0.112 0.000 1.280 767 Q HN 0.722 nan 8.270 nan 0.000 0.426 768 F N 5.590 125.535 119.950 -0.008 0.000 2.085 768 F HA -0.329 4.189 4.527 -0.016 0.000 0.299 768 F C 1.607 177.392 175.800 -0.025 0.000 1.096 768 F CA 2.424 60.407 58.000 -0.027 0.000 1.227 768 F CB -0.089 38.894 39.000 -0.029 0.000 0.983 768 F HN 0.794 nan 8.300 nan 0.000 0.482 769 I N -1.223 119.368 120.570 0.035 0.000 3.001 769 I HA -0.075 4.085 4.170 -0.016 0.000 0.268 769 I C 1.941 177.984 176.117 -0.123 0.000 1.267 769 I CA 1.301 62.563 61.300 -0.062 0.000 1.472 769 I CB -0.838 37.211 38.000 0.081 0.000 1.089 769 I HN 0.246 nan 8.210 nan 0.000 0.468 770 S N 0.920 116.544 115.700 -0.126 0.000 2.528 770 S HA 0.264 4.724 4.470 -0.016 0.000 0.219 770 S C 0.770 175.190 174.600 -0.301 0.000 0.985 770 S CA -0.361 57.719 58.200 -0.201 0.000 0.914 770 S CB -0.528 62.559 63.200 -0.187 0.000 0.776 770 S HN 0.433 nan 8.310 nan 0.000 0.526 771 L N 2.708 123.755 121.223 -0.294 0.000 2.326 771 L HA 0.351 4.681 4.340 -0.016 0.000 0.278 771 L C 0.643 177.348 176.870 -0.275 0.000 1.092 771 L CA -0.603 54.065 54.840 -0.286 0.000 0.810 771 L CB 0.516 42.385 42.059 -0.316 0.000 1.153 771 L HN 0.272 nan 8.230 nan 0.000 0.439 772 D N 2.588 122.868 120.400 -0.200 0.000 2.419 772 D HA -0.098 4.532 4.640 -0.016 0.000 0.236 772 D C 0.896 177.096 176.300 -0.166 0.000 1.165 772 D CA 0.141 54.049 54.000 -0.154 0.000 0.882 772 D CB 1.008 41.743 40.800 -0.109 0.000 1.201 772 D HN 0.535 nan 8.370 nan 0.000 0.443 773 K N 1.150 121.472 120.400 -0.129 0.000 2.074 773 K HA -0.212 4.098 4.320 -0.016 0.000 0.209 773 K C 2.024 178.577 176.600 -0.080 0.000 1.048 773 K CA 1.857 58.078 56.287 -0.111 0.000 0.926 773 K CB -0.130 32.331 32.500 -0.065 0.000 0.713 773 K HN 0.497 nan 8.250 nan 0.000 0.444 774 S N 0.350 116.016 115.700 -0.057 0.000 2.399 774 S HA -0.138 4.322 4.470 -0.016 0.000 0.231 774 S C 1.920 176.500 174.600 -0.033 0.000 1.022 774 S CA 1.205 59.387 58.200 -0.030 0.000 0.983 774 S CB -0.428 62.766 63.200 -0.010 0.000 0.803 774 S HN 0.348 nan 8.310 nan 0.000 0.480 775 I N 1.378 121.911 120.570 -0.063 0.000 2.584 775 I HA -0.086 4.074 4.170 -0.016 0.000 0.255 775 I C 2.890 178.972 176.117 -0.059 0.000 1.145 775 I CA 0.749 62.015 61.300 -0.058 0.000 1.462 775 I CB -0.330 37.625 38.000 -0.075 0.000 1.102 775 I HN 0.323 nan 8.210 nan 0.000 0.433 776 Q N 0.771 120.494 119.800 -0.128 0.000 2.050 776 Q HA -0.182 4.148 4.340 -0.016 0.000 0.202 776 Q C 1.902 177.949 176.000 0.078 0.000 0.980 776 Q CA 1.408 57.154 55.803 -0.096 0.000 0.840 776 Q CB -0.225 28.312 28.738 -0.335 0.000 0.898 776 Q HN 0.486 nan 8.270 nan 0.000 0.424 777 N N 0.943 119.658 118.700 0.025 0.000 2.166 777 N HA -0.158 4.572 4.740 -0.016 0.000 0.186 777 N C 1.323 176.853 175.510 0.033 0.000 1.019 777 N CA 1.317 54.389 53.050 0.037 0.000 0.856 777 N CB -0.372 38.124 38.487 0.015 0.000 0.993 777 N HN 0.244 nan 8.380 nan 0.000 0.426 778 D N 0.860 121.273 120.400 0.023 0.000 2.097 778 D HA -0.039 4.592 4.640 -0.016 0.000 0.195 778 D C 2.008 178.325 176.300 0.028 0.000 0.989 778 D CA 0.747 54.760 54.000 0.021 0.000 0.827 778 D CB -0.135 40.674 40.800 0.016 0.000 0.966 778 D HN 0.201 nan 8.370 nan 0.000 0.456 779 I N 0.218 120.815 120.570 0.045 0.000 2.179 779 I HA -0.239 3.921 4.170 -0.016 0.000 0.242 779 I C 2.429 178.566 176.117 0.033 0.000 1.088 779 I CA 0.762 62.091 61.300 0.049 0.000 1.357 779 I CB -0.249 37.807 38.000 0.095 0.000 1.051 779 I HN 0.080 nan 8.210 nan 0.000 0.409 780 I N 0.930 121.533 120.570 0.054 0.000 2.264 780 I HA -0.277 3.883 4.170 -0.016 0.000 0.248 780 I C 2.574 178.688 176.117 -0.005 0.000 1.111 780 I CA 1.320 62.630 61.300 0.017 0.000 1.382 780 I CB -0.439 37.584 38.000 0.039 0.000 1.060 780 I HN 0.193 nan 8.210 nan 0.000 0.418 781 A N 0.557 123.380 122.820 0.003 0.000 2.206 781 A HA -0.000 4.310 4.320 -0.016 0.000 0.211 781 A C 1.219 178.790 177.584 -0.022 0.000 1.158 781 A CA 0.154 52.187 52.037 -0.008 0.000 0.761 781 A CB -0.391 18.610 19.000 0.002 0.000 0.801 781 A HN 0.274 nan 8.150 nan 0.000 0.473 782 R N 0.522 121.008 120.500 -0.023 0.000 2.734 782 R HA 0.226 4.556 4.340 -0.016 0.000 0.266 782 R C -0.163 176.085 176.300 -0.087 0.000 1.044 782 R CA 0.128 56.204 56.100 -0.039 0.000 1.128 782 R CB 0.099 30.382 30.300 -0.030 0.000 1.010 782 R HN 0.198 nan 8.270 nan 0.000 0.461 783 T N 2.191 116.670 114.554 -0.124 0.000 2.908 783 T HA -0.050 4.290 4.350 -0.016 0.000 0.301 783 T C 0.230 174.733 174.700 -0.329 0.000 1.019 783 T CA 0.361 62.316 62.100 -0.242 0.000 1.152 783 T CB 0.259 68.939 68.868 -0.313 0.000 0.966 783 T HN 0.457 nan 8.240 nan 0.000 0.540 784 E N 3.191 123.196 120.200 -0.323 0.000 2.129 784 E HA 0.173 4.513 4.350 -0.016 0.000 0.268 784 E C -0.505 175.901 176.600 -0.323 0.000 0.900 784 E CA -0.737 55.510 56.400 -0.254 0.000 0.755 784 E CB 0.502 30.146 29.700 -0.094 0.000 1.117 784 E HN 0.637 nan 8.360 nan 0.000 0.410 785 H N 1.514 120.442 119.070 -0.237 0.000 2.523 785 H HA 0.498 5.044 4.556 -0.016 0.000 0.345 785 H C 0.033 175.383 175.328 0.038 0.000 1.261 785 H CA -0.524 55.387 56.048 -0.229 0.000 1.343 785 H CB 1.796 31.220 29.762 -0.563 0.000 1.650 785 H HN 0.412 nan 8.280 nan 0.000 0.591 786 V N -1.016 119.093 119.914 0.325 0.000 3.078 786 V HA 0.381 4.492 4.120 -0.016 0.000 0.311 786 V C 0.267 176.563 176.094 0.336 0.000 1.138 786 V CA -1.200 61.302 62.300 0.336 0.000 1.007 786 V CB 2.105 34.004 31.823 0.127 0.000 1.045 786 V HN 0.474 nan 8.190 nan 0.000 0.432 787 M N 0.000 119.719 119.600 0.198 0.000 2.572 787 M HA 0.000 4.470 4.480 -0.016 0.000 0.227 787 M CA 0.000 55.355 55.300 0.091 0.000 0.988 787 M CB 0.000 32.562 32.600 -0.062 0.000 1.302 787 M HN 0.000 nan 8.290 nan 0.000 0.411