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 1r9d_1_A 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 0.000 176.064 176.117 -0.088 0.000 1.063 2 I CA 0.000 61.259 61.300 -0.068 0.000 1.566 2 I CB 0.000 37.961 38.000 -0.066 0.000 1.214 3 S N 2.271 117.915 115.700 -0.095 0.000 2.423 3 S HA 0.350 4.819 4.470 -0.001 0.000 0.317 3 S C 0.705 175.217 174.600 -0.146 0.000 1.065 3 S CA -0.765 57.360 58.200 -0.125 0.000 1.111 3 S CB 0.776 63.913 63.200 -0.105 0.000 0.968 3 S HN 0.531 nan 8.310 nan 0.000 0.474 4 K N 2.267 122.549 120.400 -0.197 0.000 2.305 4 K HA 0.236 4.555 4.320 -0.001 0.000 0.199 4 K C 1.242 177.700 176.600 -0.236 0.000 1.047 4 K CA 0.314 56.484 56.287 -0.195 0.000 0.976 4 K CB -0.055 32.324 32.500 -0.202 0.000 0.765 4 K HN 0.849 nan 8.250 nan 0.000 0.474 5 G N 0.992 109.571 108.800 -0.369 0.000 2.796 5 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.571 5 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.571 5 G C -0.750 173.812 174.900 -0.563 0.000 1.370 5 G CA -0.801 44.072 45.100 -0.378 0.000 0.856 5 G HN 0.107 nan 8.290 nan 0.000 0.538 6 F N 0.730 120.679 119.950 -0.002 0.000 2.507 6 F HA 0.707 5.234 4.527 -0.001 0.000 0.327 6 F C 1.174 177.005 175.800 0.052 0.000 1.068 6 F CA -0.049 57.959 58.000 0.013 0.000 0.965 6 F CB 2.134 41.142 39.000 0.013 0.000 1.192 6 F HN 0.821 nan 8.300 nan 0.000 0.476 7 S N -0.465 115.411 115.700 0.294 0.000 2.624 7 S HA 0.461 4.931 4.470 -0.001 0.000 0.263 7 S C -0.280 174.467 174.600 0.244 0.000 1.287 7 S CA -0.759 57.583 58.200 0.236 0.000 0.990 7 S CB 0.887 64.222 63.200 0.226 0.000 0.950 7 S HN 0.556 nan 8.310 nan 0.000 0.561 8 T N 2.777 117.356 114.554 0.042 0.000 2.799 8 T HA 0.344 4.693 4.350 -0.001 0.000 0.286 8 T C 0.183 174.653 174.700 -0.383 0.000 0.973 8 T CA -0.709 61.317 62.100 -0.123 0.000 1.035 8 T CB 0.988 69.817 68.868 -0.066 0.000 0.932 8 T HN 0.708 nan 8.240 nan 0.000 0.469 9 Q N 2.074 121.485 119.800 -0.649 0.000 2.368 9 Q HA 0.212 4.551 4.340 -0.001 0.000 0.237 9 Q C 0.179 176.018 176.000 -0.267 0.000 0.987 9 Q CA -0.618 54.783 55.803 -0.671 0.000 0.896 9 Q CB -0.059 28.332 28.738 -0.578 0.000 1.241 9 Q HN 0.716 nan 8.270 nan 0.000 0.485 10 T N -1.466 112.986 114.554 -0.170 0.000 2.856 10 T HA 0.014 4.364 4.350 -0.001 0.000 0.306 10 T C 0.987 175.648 174.700 -0.065 0.000 1.062 10 T CA 0.017 62.069 62.100 -0.080 0.000 1.083 10 T CB 0.695 69.546 68.868 -0.028 0.000 0.984 10 T HN 0.714 nan 8.240 nan 0.000 0.542 11 E N 0.659 120.835 120.200 -0.039 0.000 2.160 11 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 11 E C 2.225 178.812 176.600 -0.021 0.000 0.991 11 E CA 1.328 57.710 56.400 -0.029 0.000 0.810 11 E CB -0.327 29.362 29.700 -0.018 0.000 0.742 11 E HN 0.727 nan 8.360 nan 0.000 0.466 12 R N 0.065 120.558 120.500 -0.012 0.000 2.083 12 R HA -0.146 4.194 4.340 -0.001 0.000 0.237 12 R C 1.962 178.254 176.300 -0.014 0.000 1.137 12 R CA 1.741 57.840 56.100 -0.003 0.000 0.951 12 R CB -0.303 30.005 30.300 0.013 0.000 0.851 12 R HN 0.244 nan 8.270 nan 0.000 0.434 13 I N 1.916 122.470 120.570 -0.028 0.000 2.226 13 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 13 I C 1.759 177.860 176.117 -0.027 0.000 1.100 13 I CA 1.280 62.561 61.300 -0.032 0.000 1.374 13 I CB -1.562 36.407 38.000 -0.051 0.000 1.057 13 I HN 0.244 nan 8.210 nan 0.000 0.413 14 N N 1.096 119.777 118.700 -0.032 0.000 2.166 14 N HA -0.108 4.631 4.740 -0.001 0.000 0.186 14 N C 2.016 177.517 175.510 -0.015 0.000 1.019 14 N CA 1.174 54.209 53.050 -0.025 0.000 0.856 14 N CB -0.167 38.303 38.487 -0.029 0.000 0.993 14 N HN 0.387 nan 8.380 nan 0.000 0.426 15 I N 0.950 121.513 120.570 -0.013 0.000 2.252 15 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 15 I C 2.067 178.181 176.117 -0.006 0.000 1.102 15 I CA 0.797 62.093 61.300 -0.007 0.000 1.385 15 I CB -0.202 37.797 38.000 -0.002 0.000 1.064 15 I HN 0.026 nan 8.210 nan 0.000 0.414 16 L N 0.640 121.858 121.223 -0.009 0.000 2.093 16 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 16 L C 2.634 179.497 176.870 -0.012 0.000 1.085 16 L CA 1.323 56.156 54.840 -0.013 0.000 0.755 16 L CB -0.592 41.453 42.059 -0.023 0.000 0.904 16 L HN 0.230 nan 8.230 nan 0.000 0.435 17 K N 0.733 121.127 120.400 -0.009 0.000 2.057 17 K HA -0.188 4.131 4.320 -0.001 0.000 0.207 17 K C 2.125 178.723 176.600 -0.003 0.000 1.049 17 K CA 1.357 57.642 56.287 -0.003 0.000 0.931 17 K CB -0.087 32.414 32.500 0.002 0.000 0.714 17 K HN 0.254 nan 8.250 nan 0.000 0.440 18 A N 1.202 124.019 122.820 -0.004 0.000 1.972 18 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 18 A C 1.958 179.540 177.584 -0.003 0.000 1.169 18 A CA 1.416 53.451 52.037 -0.003 0.000 0.635 18 A CB -0.430 18.568 19.000 -0.004 0.000 0.810 18 A HN 0.511 nan 8.150 nan 0.000 0.446 19 Q N -0.550 119.248 119.800 -0.004 0.000 2.124 19 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 19 Q C 1.940 177.936 176.000 -0.007 0.000 0.977 19 Q CA 1.232 57.034 55.803 -0.003 0.000 0.850 19 Q CB -0.288 28.450 28.738 -0.000 0.000 0.901 19 Q HN 0.614 nan 8.270 nan 0.000 0.429 20 I N 0.758 121.322 120.570 -0.010 0.000 2.163 20 I HA -0.234 3.935 4.170 -0.001 0.000 0.240 20 I C 2.313 178.417 176.117 -0.022 0.000 1.081 20 I CA 1.402 62.691 61.300 -0.017 0.000 1.353 20 I CB -1.056 36.936 38.000 -0.013 0.000 1.054 20 I HN 0.254 nan 8.210 nan 0.000 0.407 21 L N 0.585 121.803 121.223 -0.008 0.000 2.141 21 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 21 L C 1.881 178.748 176.870 -0.005 0.000 1.094 21 L CA 1.012 55.852 54.840 -0.001 0.000 0.763 21 L CB -0.598 41.467 42.059 0.011 0.000 0.908 21 L HN 0.315 nan 8.230 nan 0.000 0.437 22 N N 0.294 118.990 118.700 -0.007 0.000 2.467 22 N HA 0.075 4.814 4.740 -0.001 0.000 0.184 22 N C 0.695 176.198 175.510 -0.012 0.000 1.106 22 N CA 0.357 53.404 53.050 -0.005 0.000 0.892 22 N CB 0.023 38.509 38.487 -0.002 0.000 0.969 22 N HN 0.184 nan 8.380 nan 0.000 0.454 23 A N 1.034 123.840 122.820 -0.024 0.000 2.406 23 A HA 0.198 4.517 4.320 -0.001 0.000 0.243 23 A C 0.213 177.766 177.584 -0.051 0.000 1.082 23 A CA 0.112 52.128 52.037 -0.034 0.000 0.786 23 A CB 0.334 19.306 19.000 -0.046 0.000 1.029 23 A HN 0.117 nan 8.150 nan 0.000 0.495 24 K N 1.886 122.259 120.400 -0.046 0.000 2.478 24 K HA 0.333 4.652 4.320 -0.001 0.000 0.236 24 K C -2.840 173.713 176.600 -0.078 0.000 1.021 24 K CA -1.554 54.702 56.287 -0.052 0.000 1.010 24 K CB 1.042 33.534 32.500 -0.012 0.000 1.331 24 K HN 0.378 nan 8.250 nan 0.000 0.470 25 P HA -0.170 nan 4.420 nan 0.000 0.259 25 P C -0.319 176.953 177.300 -0.047 0.000 1.163 25 P CA 0.015 62.950 63.100 -0.276 0.000 0.760 25 P CB 0.225 31.437 31.700 -0.813 0.000 0.762 26 C N 1.227 120.632 119.300 0.176 0.000 3.318 26 C HA 0.721 5.180 4.460 -0.001 0.000 0.329 26 C C -0.603 174.606 174.990 0.365 0.000 1.449 26 C CA -0.869 58.329 59.018 0.300 0.000 1.397 26 C CB 1.062 28.892 27.740 0.151 0.000 1.810 26 C HN 0.291 nan 8.230 nan 0.000 0.449 27 V N 2.122 122.179 119.914 0.239 0.000 2.384 27 V HA 0.478 4.598 4.120 -0.001 0.000 0.287 27 V C -0.033 176.108 176.094 0.077 0.000 1.020 27 V CA 0.138 62.511 62.300 0.122 0.000 0.850 27 V CB 1.021 32.874 31.823 0.050 0.000 0.987 27 V HN 0.915 nan 8.190 nan 0.000 0.436 28 E N 2.087 122.323 120.200 0.061 0.000 2.227 28 E HA 0.409 4.758 4.350 -0.001 0.000 0.268 28 E C 0.341 176.931 176.600 -0.016 0.000 0.990 28 E CA -0.178 56.239 56.400 0.029 0.000 0.856 28 E CB 1.748 31.472 29.700 0.040 0.000 1.159 28 E HN 0.755 nan 8.360 nan 0.000 0.401 29 S N 0.528 116.206 115.700 -0.037 0.000 2.523 29 S HA 0.033 4.503 4.470 -0.001 0.000 0.217 29 S C 1.109 175.656 174.600 -0.087 0.000 0.996 29 S CA -0.181 57.972 58.200 -0.078 0.000 0.921 29 S CB 0.161 63.309 63.200 -0.086 0.000 0.829 29 S HN 0.347 nan 8.310 nan 0.000 0.495 30 E N 2.786 122.947 120.200 -0.065 0.000 2.048 30 E HA -0.170 4.180 4.350 -0.001 0.000 0.202 30 E C 2.040 178.580 176.600 -0.101 0.000 1.021 30 E CA 1.656 58.014 56.400 -0.070 0.000 0.825 30 E CB -0.338 29.334 29.700 -0.048 0.000 0.756 30 E HN 0.575 nan 8.360 nan 0.000 0.454 31 R N 0.047 120.466 120.500 -0.135 0.000 2.083 31 R HA -0.161 4.178 4.340 -0.001 0.000 0.237 31 R C 2.192 178.364 176.300 -0.212 0.000 1.137 31 R CA 1.517 57.495 56.100 -0.203 0.000 0.951 31 R CB -0.329 29.775 30.300 -0.327 0.000 0.851 31 R HN 0.235 nan 8.270 nan 0.000 0.434 32 A N 0.839 123.527 122.820 -0.219 0.000 1.908 32 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 32 A C 2.013 179.538 177.584 -0.099 0.000 1.181 32 A CA 1.462 53.378 52.037 -0.202 0.000 0.627 32 A CB -0.433 18.437 19.000 -0.216 0.000 0.818 32 A HN 0.297 nan 8.150 nan 0.000 0.445 33 I N -0.147 120.370 120.570 -0.089 0.000 2.252 33 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 33 I C 2.406 178.518 176.117 -0.008 0.000 1.102 33 I CA 1.030 62.300 61.300 -0.050 0.000 1.385 33 I CB -0.506 37.459 38.000 -0.058 0.000 1.064 33 I HN 0.274 nan 8.210 nan 0.000 0.414 34 L N -0.484 120.731 121.223 -0.012 0.000 2.056 34 L HA -0.193 4.146 4.340 -0.001 0.000 0.207 34 L C 2.513 179.480 176.870 0.161 0.000 1.078 34 L CA 1.356 56.235 54.840 0.065 0.000 0.749 34 L CB -0.483 41.547 42.059 -0.047 0.000 0.901 34 L HN 0.222 nan 8.230 nan 0.000 0.433 35 I N -0.589 120.029 120.570 0.080 0.000 2.394 35 I HA -0.264 3.905 4.170 -0.001 0.000 0.251 35 I C 2.307 178.563 176.117 0.233 0.000 1.136 35 I CA 1.203 62.598 61.300 0.159 0.000 1.425 35 I CB 0.076 38.089 38.000 0.022 0.000 1.079 35 I HN 0.248 nan 8.210 nan 0.000 0.425 36 T N 0.223 114.878 114.554 0.168 0.000 2.777 36 T HA -0.239 4.110 4.350 -0.001 0.000 0.266 36 T C 1.694 176.258 174.700 -0.227 0.000 1.040 36 T CA 1.752 63.848 62.100 -0.008 0.000 1.141 36 T CB -0.204 68.690 68.868 0.043 0.000 0.868 36 T HN 0.515 nan 8.240 nan 0.000 0.444 37 E N 0.688 120.835 120.200 -0.088 0.000 2.077 37 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 37 E C 2.392 178.879 176.600 -0.189 0.000 0.989 37 E CA 1.338 57.663 56.400 -0.124 0.000 0.800 37 E CB -0.213 29.491 29.700 0.007 0.000 0.746 37 E HN 0.356 nan 8.360 nan 0.000 0.452 38 S N -0.772 114.858 115.700 -0.116 0.000 2.355 38 S HA -0.132 4.337 4.470 -0.001 0.000 0.222 38 S C 1.667 176.217 174.600 -0.084 0.000 1.031 38 S CA 1.067 59.166 58.200 -0.168 0.000 0.993 38 S CB -0.455 62.743 63.200 -0.003 0.000 0.859 38 S HN 0.381 nan 8.310 nan 0.000 0.453 39 F N 1.927 121.755 119.950 -0.204 0.000 2.202 39 F HA 0.033 4.559 4.527 -0.001 0.000 0.301 39 F C 2.305 177.929 175.800 -0.293 0.000 1.082 39 F CA 1.191 59.062 58.000 -0.215 0.000 1.313 39 F CB -0.275 38.577 39.000 -0.247 0.000 1.024 39 F HN 0.212 nan 8.300 nan 0.000 0.495 40 K N -0.617 119.602 120.400 -0.303 0.000 2.280 40 K HA -0.144 4.175 4.320 -0.001 0.000 0.202 40 K C 1.572 178.072 176.600 -0.167 0.000 1.047 40 K CA 0.834 56.945 56.287 -0.293 0.000 0.942 40 K CB -0.075 32.206 32.500 -0.366 0.000 0.739 40 K HN 0.232 nan 8.250 nan 0.000 0.457 41 Q N -0.465 119.228 119.800 -0.178 0.000 2.282 41 Q HA 0.016 4.355 4.340 -0.001 0.000 0.206 41 Q C 0.874 176.783 176.000 -0.151 0.000 0.878 41 Q CA 0.756 56.465 55.803 -0.155 0.000 0.944 41 Q CB 1.200 29.831 28.738 -0.179 0.000 1.100 41 Q HN 0.326 nan 8.270 nan 0.000 0.509 42 T N -3.460 110.986 114.554 -0.180 0.000 3.339 42 T HA 0.222 4.572 4.350 -0.001 0.000 0.292 42 T C 0.893 175.486 174.700 -0.179 0.000 1.012 42 T CA -0.368 61.614 62.100 -0.197 0.000 0.937 42 T CB 0.404 69.102 68.868 -0.283 0.000 1.164 42 T HN -0.107 nan 8.240 nan 0.000 0.509 43 E N 2.089 122.219 120.200 -0.117 0.000 2.171 43 E HA -0.081 4.269 4.350 -0.001 0.000 0.197 43 E C 1.981 178.543 176.600 -0.064 0.000 0.997 43 E CA 1.504 57.861 56.400 -0.070 0.000 0.810 43 E CB -0.505 29.178 29.700 -0.029 0.000 0.738 43 E HN 0.721 nan 8.360 nan 0.000 0.467 44 G N 0.596 109.357 108.800 -0.065 0.000 3.181 44 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.219 44 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.219 44 G C 0.527 175.395 174.900 -0.054 0.000 1.182 44 G CA -0.221 44.849 45.100 -0.050 0.000 0.791 44 G HN 0.029 nan 8.290 nan 0.000 0.537 45 Q N 0.337 120.091 119.800 -0.078 0.000 2.226 45 Q HA 0.503 4.843 4.340 -0.001 0.000 0.256 45 Q C -2.430 173.532 176.000 -0.063 0.000 0.962 45 Q CA -1.984 53.773 55.803 -0.076 0.000 0.887 45 Q CB 2.046 30.717 28.738 -0.112 0.000 1.282 45 Q HN -0.033 nan 8.270 nan 0.000 0.449 46 P HA 0.069 nan 4.420 nan 0.000 0.269 46 P C -0.507 176.785 177.300 -0.012 0.000 1.215 46 P CA 0.141 63.237 63.100 -0.007 0.000 0.780 46 P CB 0.790 32.497 31.700 0.013 0.000 0.898 47 A N 2.566 125.400 122.820 0.023 0.000 1.927 47 A HA -0.248 4.072 4.320 -0.001 0.000 0.220 47 A C 1.990 179.610 177.584 0.060 0.000 1.185 47 A CA 1.873 53.939 52.037 0.048 0.000 0.639 47 A CB -1.546 17.518 19.000 0.107 0.000 0.820 47 A HN 0.600 nan 8.150 nan 0.000 0.451 48 I N -1.344 119.275 120.570 0.082 0.000 2.286 48 I HA -0.183 3.987 4.170 -0.001 0.000 0.248 48 I C 2.046 178.193 176.117 0.049 0.000 1.115 48 I CA 1.218 62.584 61.300 0.109 0.000 1.392 48 I CB -0.178 37.924 38.000 0.170 0.000 1.065 48 I HN 0.262 nan 8.210 nan 0.000 0.418 49 L N 0.302 121.529 121.223 0.006 0.000 2.156 49 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 49 L C 2.545 179.366 176.870 -0.081 0.000 1.095 49 L CA 1.471 56.291 54.840 -0.034 0.000 0.770 49 L CB -0.822 41.212 42.059 -0.041 0.000 0.914 49 L HN 0.169 nan 8.230 nan 0.000 0.439 50 R N -0.884 119.532 120.500 -0.140 0.000 2.096 50 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 50 R C 2.198 178.388 176.300 -0.183 0.000 1.127 50 R CA 0.836 56.742 56.100 -0.323 0.000 0.968 50 R CB -0.275 29.669 30.300 -0.593 0.000 0.861 50 R HN 0.303 nan 8.270 nan 0.000 0.440 51 R N 0.322 120.824 120.500 0.003 0.000 2.092 51 R HA -0.004 4.336 4.340 -0.001 0.000 0.231 51 R C 2.141 178.494 176.300 0.087 0.000 1.119 51 R CA 1.341 57.527 56.100 0.143 0.000 0.970 51 R CB -0.687 29.720 30.300 0.179 0.000 0.864 51 R HN 0.211 nan 8.270 nan 0.000 0.440 52 A N 1.122 123.961 122.820 0.032 0.000 1.873 52 A HA -0.063 4.256 4.320 -0.001 0.000 0.215 52 A C 2.361 179.941 177.584 -0.008 0.000 1.186 52 A CA 0.966 53.007 52.037 0.006 0.000 0.616 52 A CB -0.549 18.438 19.000 -0.023 0.000 0.823 52 A HN 0.184 nan 8.150 nan 0.000 0.442 53 L N -0.765 120.442 121.223 -0.028 0.000 2.201 53 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 53 L C 2.996 179.874 176.870 0.013 0.000 1.105 53 L CA 0.853 55.673 54.840 -0.033 0.000 0.775 53 L CB -0.468 41.542 42.059 -0.082 0.000 0.913 53 L HN 0.447 nan 8.230 nan 0.000 0.440 54 A N 0.038 122.890 122.820 0.053 0.000 1.872 54 A HA -0.177 4.142 4.320 -0.001 0.000 0.214 54 A C 2.183 179.827 177.584 0.100 0.000 1.187 54 A CA 1.273 53.401 52.037 0.152 0.000 0.614 54 A CB -0.599 18.603 19.000 0.337 0.000 0.826 54 A HN 0.292 nan 8.150 nan 0.000 0.442 55 L N 0.277 121.528 121.223 0.046 0.000 2.046 55 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 55 L C 2.280 179.108 176.870 -0.069 0.000 1.077 55 L CA 2.673 57.490 54.840 -0.039 0.000 0.747 55 L CB -0.593 41.424 42.059 -0.070 0.000 0.896 55 L HN 0.488 nan 8.230 nan 0.000 0.432 56 K N -1.625 118.756 120.400 -0.033 0.000 2.032 56 K HA -0.305 4.014 4.320 -0.001 0.000 0.209 56 K C 2.321 178.929 176.600 0.014 0.000 1.048 56 K CA 1.860 58.129 56.287 -0.030 0.000 0.927 56 K CB -0.357 32.136 32.500 -0.012 0.000 0.712 56 K HN 0.504 nan 8.250 nan 0.000 0.441 57 H N 0.480 119.521 119.070 -0.049 0.000 2.387 57 H HA -0.023 4.532 4.556 -0.001 0.000 0.299 57 H C 1.806 177.107 175.328 -0.045 0.000 1.090 57 H CA 1.960 57.984 56.048 -0.040 0.000 1.332 57 H CB -0.027 29.719 29.762 -0.026 0.000 1.386 57 H HN 0.219 nan 8.280 nan 0.000 0.516 58 I N -0.399 120.139 120.570 -0.053 0.000 2.163 58 I HA -0.247 3.922 4.170 -0.001 0.000 0.240 58 I C 2.159 178.193 176.117 -0.138 0.000 1.081 58 I CA 0.986 62.209 61.300 -0.127 0.000 1.353 58 I CB -0.238 37.694 38.000 -0.114 0.000 1.054 58 I HN 0.230 nan 8.210 nan 0.000 0.407 59 L N 0.335 121.471 121.223 -0.145 0.000 2.131 59 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 59 L C 2.295 179.183 176.870 0.030 0.000 1.092 59 L CA 1.427 56.199 54.840 -0.114 0.000 0.759 59 L CB -0.546 41.389 42.059 -0.207 0.000 0.903 59 L HN 0.327 nan 8.230 nan 0.000 0.435 60 E N -0.402 119.770 120.200 -0.047 0.000 2.299 60 E HA -0.062 4.287 4.350 -0.001 0.000 0.193 60 E C 1.179 177.728 176.600 -0.084 0.000 0.998 60 E CA 0.518 56.890 56.400 -0.047 0.000 0.851 60 E CB 0.174 29.842 29.700 -0.054 0.000 0.795 60 E HN 0.533 nan 8.360 nan 0.000 0.492 61 N N 0.232 118.845 118.700 -0.146 0.000 2.166 61 N HA 0.070 4.810 4.740 -0.001 0.000 0.213 61 N C 0.156 175.603 175.510 -0.105 0.000 1.222 61 N CA -0.154 52.800 53.050 -0.159 0.000 0.900 61 N CB 1.073 39.383 38.487 -0.295 0.000 1.055 61 N HN 0.067 nan 8.380 nan 0.000 0.515 62 I N 3.200 123.733 120.570 -0.063 0.000 2.692 62 I HA 0.116 4.285 4.170 -0.001 0.000 0.284 62 I C -2.170 173.957 176.117 0.017 0.000 1.159 62 I CA -1.744 59.545 61.300 -0.019 0.000 1.423 62 I CB 0.462 38.470 38.000 0.014 0.000 1.380 62 I HN -0.110 nan 8.210 nan 0.000 0.580 63 P HA 0.103 nan 4.420 nan 0.000 0.266 63 P C -0.949 176.366 177.300 0.024 0.000 1.195 63 P CA 0.182 63.283 63.100 0.002 0.000 0.768 63 P CB 0.268 31.973 31.700 0.009 0.000 0.838 64 I N 2.380 122.913 120.570 -0.061 0.000 2.525 64 I HA 0.433 4.602 4.170 -0.001 0.000 0.301 64 I C 0.350 176.425 176.117 -0.071 0.000 0.992 64 I CA -0.068 61.131 61.300 -0.168 0.000 1.162 64 I CB 1.594 39.281 38.000 -0.522 0.000 1.332 64 I HN 0.258 nan 8.210 nan 0.000 0.458 65 T N 6.170 120.758 114.554 0.057 0.000 3.032 65 T HA 0.588 4.938 4.350 -0.001 0.000 0.312 65 T C -0.407 174.433 174.700 0.232 0.000 1.078 65 T CA -0.350 61.821 62.100 0.119 0.000 1.028 65 T CB 1.855 70.800 68.868 0.128 0.000 1.091 65 T HN 0.254 nan 8.240 nan 0.000 0.457 66 I N 3.278 123.944 120.570 0.159 0.000 2.411 66 I HA 0.391 4.560 4.170 -0.001 0.000 0.284 66 I C 0.403 176.584 176.117 0.107 0.000 1.012 66 I CA -0.830 60.574 61.300 0.173 0.000 1.119 66 I CB 1.421 39.519 38.000 0.164 0.000 1.261 66 I HN 0.353 nan 8.210 nan 0.000 0.448 67 R N 4.034 124.589 120.500 0.092 0.000 2.582 67 R HA 0.218 4.557 4.340 -0.001 0.000 0.271 67 R C -0.581 175.749 176.300 0.050 0.000 1.078 67 R CA -0.850 55.286 56.100 0.061 0.000 1.127 67 R CB 0.669 30.997 30.300 0.047 0.000 1.038 67 R HN 0.449 nan 8.270 nan 0.000 0.500 68 D N 2.979 123.403 120.400 0.039 0.000 2.488 68 D HA -0.079 4.560 4.640 -0.001 0.000 0.238 68 D C 0.654 176.973 176.300 0.033 0.000 1.138 68 D CA 0.701 54.722 54.000 0.035 0.000 0.873 68 D CB 0.580 41.396 40.800 0.027 0.000 1.183 68 D HN 0.399 nan 8.370 nan 0.000 0.458 69 Q N -0.445 119.379 119.800 0.039 0.000 2.362 69 Q HA -0.219 4.121 4.340 -0.001 0.000 0.220 69 Q C -0.365 175.661 176.000 0.043 0.000 0.713 69 Q CA 1.069 56.896 55.803 0.040 0.000 1.345 69 Q CB -1.675 27.079 28.738 0.027 0.000 1.570 69 Q HN 0.692 nan 8.270 nan 0.000 0.701 70 E N 0.103 120.330 120.200 0.044 0.000 2.373 70 E HA 0.193 4.543 4.350 -0.001 0.000 0.267 70 E C 1.231 177.875 176.600 0.073 0.000 1.032 70 E CA -0.068 56.352 56.400 0.034 0.000 0.889 70 E CB 0.506 30.220 29.700 0.024 0.000 0.984 70 E HN 0.182 nan 8.360 nan 0.000 0.425 71 L N 2.443 123.702 121.223 0.061 0.000 2.500 71 L HA 0.179 4.519 4.340 -0.001 0.000 0.219 71 L C 0.372 177.349 176.870 0.178 0.000 1.057 71 L CA 0.191 55.118 54.840 0.146 0.000 0.854 71 L CB 0.468 42.556 42.059 0.049 0.000 1.078 71 L HN 0.469 nan 8.230 nan 0.000 0.480 72 I N 1.920 122.506 120.570 0.027 0.000 2.362 72 I HA 0.262 4.431 4.170 -0.001 0.000 0.289 72 I C -0.017 176.023 176.117 -0.128 0.000 0.994 72 I CA -0.430 60.849 61.300 -0.035 0.000 1.158 72 I CB 1.562 39.469 38.000 -0.154 0.000 1.315 72 I HN -0.229 nan 8.210 nan 0.000 0.451 73 V N 2.509 122.351 119.914 -0.120 0.000 2.850 73 V HA 1.088 5.207 4.120 -0.001 0.000 0.315 73 V C 0.206 176.114 176.094 -0.311 0.000 1.064 73 V CA -0.685 61.539 62.300 -0.127 0.000 0.979 73 V CB 1.604 33.452 31.823 0.042 0.000 1.039 73 V HN 1.048 nan 8.190 nan 0.000 0.452 74 G N 1.362 110.043 108.800 -0.199 0.000 2.789 74 G HA2 0.277 4.236 3.960 -0.001 0.000 0.353 74 G HA3 0.277 4.236 3.960 -0.001 0.000 0.353 74 G C -0.719 174.422 174.900 0.402 0.000 1.220 74 G CA -0.237 44.792 45.100 -0.118 0.000 1.204 74 G HN 1.100 nan 8.290 nan 0.000 0.574 75 S N 1.589 117.562 115.700 0.455 0.000 2.502 75 S HA 0.543 5.013 4.470 -0.001 0.000 0.304 75 S C 1.393 176.226 174.600 0.390 0.000 1.097 75 S CA -0.878 57.558 58.200 0.393 0.000 1.045 75 S CB 1.696 65.071 63.200 0.292 0.000 1.019 75 S HN 0.530 nan 8.310 nan 0.000 0.481 76 L N 1.786 123.199 121.223 0.316 0.000 2.418 76 L HA 0.113 4.453 4.340 -0.001 0.000 0.218 76 L C 1.036 178.020 176.870 0.190 0.000 1.125 76 L CA 0.527 55.514 54.840 0.246 0.000 0.835 76 L CB -0.371 41.812 42.059 0.207 0.000 0.953 76 L HN 0.697 nan 8.230 nan 0.000 0.454 77 T N -5.142 109.520 114.554 0.179 0.000 2.903 77 T HA 0.320 4.669 4.350 -0.001 0.000 0.299 77 T C 0.392 175.164 174.700 0.121 0.000 1.093 77 T CA -0.908 61.273 62.100 0.134 0.000 1.002 77 T CB 2.461 71.405 68.868 0.126 0.000 1.127 77 T HN -0.129 nan 8.240 nan 0.000 0.488 78 K N 0.116 120.571 120.400 0.091 0.000 2.026 78 K HA -0.019 4.301 4.320 -0.001 0.000 0.208 78 K C 0.798 177.439 176.600 0.068 0.000 1.048 78 K CA 1.204 57.536 56.287 0.075 0.000 0.929 78 K CB -0.039 32.493 32.500 0.053 0.000 0.713 78 K HN 0.666 nan 8.250 nan 0.000 0.439 79 E N 1.421 121.659 120.200 0.064 0.000 2.283 79 E HA 0.122 4.472 4.350 -0.001 0.000 0.278 79 E C -2.608 174.024 176.600 0.053 0.000 1.027 79 E CA -2.767 53.663 56.400 0.050 0.000 0.843 79 E CB 0.997 30.724 29.700 0.046 0.000 1.062 79 E HN -0.164 nan 8.360 nan 0.000 0.401 80 P HA 0.089 nan 4.420 nan 0.000 0.272 80 P C -0.839 176.464 177.300 0.004 0.000 1.240 80 P CA -0.002 63.117 63.100 0.031 0.000 0.791 80 P CB 0.396 32.104 31.700 0.014 0.000 0.978 81 R N -0.637 119.866 120.500 0.005 0.000 3.502 81 R HA -0.158 4.181 4.340 -0.001 0.000 0.266 81 R C -0.603 175.670 176.300 -0.046 0.000 1.077 81 R CA 0.460 56.531 56.100 -0.049 0.000 0.718 81 R CB -1.684 28.531 30.300 -0.142 0.000 1.120 81 R HN 0.509 nan 8.270 nan 0.000 0.457 82 S N -1.469 114.269 115.700 0.064 0.000 2.798 82 S HA 0.658 5.127 4.470 -0.001 0.000 0.312 82 S C -0.595 174.137 174.600 0.220 0.000 1.122 82 S CA -0.418 57.874 58.200 0.154 0.000 0.949 82 S CB 2.096 65.376 63.200 0.133 0.000 1.235 82 S HN 0.287 nan 8.310 nan 0.000 0.552 83 S N 0.396 116.249 115.700 0.254 0.000 2.538 83 S HA 0.457 4.926 4.470 -0.001 0.000 0.288 83 S C -1.230 173.471 174.600 0.168 0.000 1.108 83 S CA -0.714 57.614 58.200 0.213 0.000 0.971 83 S CB 0.932 64.235 63.200 0.172 0.000 1.041 83 S HN 0.529 nan 8.310 nan 0.000 0.483 84 Q N 1.494 121.420 119.800 0.210 0.000 2.222 84 Q HA 0.511 4.850 4.340 -0.001 0.000 0.211 84 Q C -0.494 175.600 176.000 0.156 0.000 1.013 84 Q CA -0.567 55.300 55.803 0.106 0.000 0.993 84 Q CB 1.249 29.988 28.738 0.001 0.000 1.151 84 Q HN 0.583 nan 8.270 nan 0.000 0.544 85 V N 1.164 121.050 119.914 -0.047 0.000 2.513 85 V HA 0.340 4.459 4.120 -0.001 0.000 0.299 85 V C -0.849 175.116 176.094 -0.216 0.000 1.035 85 V CA -0.457 61.849 62.300 0.009 0.000 0.889 85 V CB 0.999 32.767 31.823 -0.092 0.000 0.988 85 V HN 0.515 nan 8.190 nan 0.000 0.440 86 F N 5.604 125.534 119.950 -0.034 0.000 2.449 86 F HA 0.385 4.911 4.527 -0.001 0.000 0.344 86 F C -1.299 174.340 175.800 -0.268 0.000 1.180 86 F CA -2.298 55.637 58.000 -0.109 0.000 1.209 86 F CB 1.179 40.276 39.000 0.162 0.000 1.440 86 F HN 0.378 nan 8.300 nan 0.000 0.526 87 P HA -0.203 nan 4.420 nan 0.000 0.225 87 P C 1.077 177.721 177.300 -1.093 0.000 1.148 87 P CA 1.278 63.956 63.100 -0.703 0.000 0.779 87 P CB 0.239 31.379 31.700 -0.934 0.000 0.780 88 E N -0.125 119.264 120.200 -1.353 0.000 2.268 88 E HA -0.141 4.209 4.350 -0.001 0.000 0.195 88 E C 1.482 177.645 176.600 -0.727 0.000 0.995 88 E CA 0.910 56.510 56.400 -1.334 0.000 0.836 88 E CB -1.002 27.953 29.700 -1.242 0.000 0.763 88 E HN 0.330 nan 8.360 nan 0.000 0.491 89 F N 1.619 121.464 119.950 -0.175 0.000 2.343 89 F HA 0.103 4.630 4.527 -0.002 0.000 0.286 89 F C 1.370 177.142 175.800 -0.047 0.000 1.057 89 F CA 0.451 58.409 58.000 -0.070 0.000 1.365 89 F CB 0.375 39.400 39.000 0.041 0.000 1.114 89 F HN 0.005 nan 8.300 nan 0.000 0.545 90 S N -0.450 115.387 115.700 0.227 0.000 2.578 90 S HA 0.401 4.870 4.470 -0.001 0.000 0.272 90 S C -0.852 173.893 174.600 0.243 0.000 1.145 90 S CA -0.311 58.052 58.200 0.271 0.000 0.835 90 S CB 1.615 65.120 63.200 0.508 0.000 1.104 90 S HN 0.348 nan 8.310 nan 0.000 0.458 91 N N -0.175 118.602 118.700 0.127 0.000 1.863 91 N HA 0.116 4.856 4.740 -0.001 0.000 0.241 91 N C 0.673 176.006 175.510 -0.295 0.000 1.395 91 N CA -0.363 52.617 53.050 -0.116 0.000 0.765 91 N CB -0.220 38.316 38.487 0.083 0.000 1.120 91 N HN 0.468 nan 8.380 nan 0.000 0.510 92 K N 0.898 121.233 120.400 -0.109 0.000 2.209 92 K HA -0.055 4.265 4.320 -0.001 0.000 0.204 92 K C 1.115 177.607 176.600 -0.179 0.000 1.048 92 K CA 1.766 57.943 56.287 -0.182 0.000 0.940 92 K CB -0.227 32.273 32.500 0.000 0.000 0.729 92 K HN 0.501 nan 8.250 nan 0.000 0.451 93 W N 0.913 122.198 121.300 -0.026 0.000 2.388 93 W HA -0.131 4.528 4.660 -0.001 0.000 0.294 93 W C 1.370 177.835 176.519 -0.089 0.000 1.212 93 W CA 0.382 57.691 57.345 -0.060 0.000 1.271 93 W CB -0.862 28.538 29.460 -0.100 0.000 1.126 93 W HN 0.002 nan 8.180 nan 0.000 0.535 94 L N 1.274 121.780 121.223 -1.194 0.000 2.056 94 L HA -0.246 4.093 4.340 -0.001 0.000 0.207 94 L C 3.123 179.687 176.870 -0.509 0.000 1.078 94 L CA 2.193 56.383 54.840 -1.083 0.000 0.749 94 L CB -0.621 40.732 42.059 -1.176 0.000 0.901 94 L HN 0.108 nan 8.230 nan 0.000 0.433 95 Q N -0.311 119.010 119.800 -0.798 0.000 2.135 95 Q HA -0.267 4.073 4.340 -0.001 0.000 0.204 95 Q C 1.591 177.355 176.000 -0.394 0.000 0.981 95 Q CA 2.138 57.361 55.803 -0.968 0.000 0.856 95 Q CB 0.053 27.881 28.738 -1.517 0.000 0.902 95 Q HN 0.520 nan 8.270 nan 0.000 0.425 96 D N 0.092 120.333 120.400 -0.265 0.000 2.149 96 D HA -0.106 4.533 4.640 -0.001 0.000 0.201 96 D C 0.893 177.170 176.300 -0.039 0.000 0.972 96 D CA 1.041 54.977 54.000 -0.106 0.000 0.835 96 D CB 0.091 40.870 40.800 -0.035 0.000 0.966 96 D HN 0.448 nan 8.370 nan 0.000 0.476 97 E N 0.149 120.340 120.200 -0.015 0.000 2.474 97 E HA 0.115 4.465 4.350 -0.001 0.000 0.195 97 E C 2.009 178.631 176.600 0.038 0.000 1.039 97 E CA -0.287 56.141 56.400 0.046 0.000 0.881 97 E CB 0.395 30.180 29.700 0.141 0.000 0.970 97 E HN 0.198 nan 8.360 nan 0.000 0.486 98 L N 1.271 122.495 121.223 0.001 0.000 2.064 98 L HA -0.257 4.082 4.340 -0.001 0.000 0.216 98 L C 1.336 178.235 176.870 0.049 0.000 1.077 98 L CA 1.281 56.140 54.840 0.032 0.000 0.766 98 L CB -0.229 41.857 42.059 0.044 0.000 0.890 98 L HN 0.173 nan 8.230 nan 0.000 0.435 99 D N -0.674 119.750 120.400 0.041 0.000 2.339 99 D HA -0.012 4.628 4.640 -0.001 0.000 0.217 99 D C 1.400 177.730 176.300 0.050 0.000 1.050 99 D CA 0.361 54.387 54.000 0.044 0.000 0.856 99 D CB 0.226 41.047 40.800 0.033 0.000 0.922 99 D HN 0.558 nan 8.370 nan 0.000 0.518 100 R N -0.425 120.111 120.500 0.059 0.000 2.572 100 R HA 0.284 4.624 4.340 -0.001 0.000 0.370 100 R C 1.441 177.793 176.300 0.088 0.000 1.005 100 R CA -0.190 55.948 56.100 0.063 0.000 1.146 100 R CB -0.465 29.865 30.300 0.050 0.000 1.390 100 R HN -0.023 nan 8.270 nan 0.000 0.553 101 L N 1.888 123.179 121.223 0.113 0.000 2.083 101 L HA -0.129 4.211 4.340 -0.001 0.000 0.209 101 L C 1.818 178.790 176.870 0.169 0.000 1.083 101 L CA 2.115 57.055 54.840 0.166 0.000 0.752 101 L CB -0.465 41.711 42.059 0.196 0.000 0.899 101 L HN 0.534 nan 8.230 nan 0.000 0.433 102 N N -0.644 118.133 118.700 0.129 0.000 2.461 102 N HA -0.104 4.635 4.740 -0.001 0.000 0.188 102 N C 1.289 176.845 175.510 0.077 0.000 1.134 102 N CA 0.136 53.251 53.050 0.107 0.000 0.878 102 N CB 0.079 38.619 38.487 0.089 0.000 0.972 102 N HN 0.283 nan 8.380 nan 0.000 0.456 103 K N 0.316 120.759 120.400 0.071 0.000 2.358 103 K HA 0.166 4.485 4.320 -0.001 0.000 0.197 103 K C 0.086 176.711 176.600 0.042 0.000 1.025 103 K CA -0.264 56.053 56.287 0.050 0.000 1.104 103 K CB 0.459 32.985 32.500 0.043 0.000 0.855 103 K HN 0.167 nan 8.250 nan 0.000 0.531 104 R N 0.588 121.120 120.500 0.054 0.000 2.679 104 R HA 0.059 4.398 4.340 -0.001 0.000 0.269 104 R C 1.062 177.368 176.300 0.011 0.000 1.076 104 R CA 0.084 56.205 56.100 0.035 0.000 1.160 104 R CB 0.478 30.811 30.300 0.055 0.000 1.054 104 R HN 0.035 nan 8.270 nan 0.000 0.507 105 T N -0.196 114.350 114.554 -0.014 0.000 2.671 105 T HA 0.021 4.370 4.350 -0.001 0.000 0.250 105 T C 1.122 175.786 174.700 -0.060 0.000 1.068 105 T CA 0.738 62.819 62.100 -0.033 0.000 1.177 105 T CB -0.196 68.644 68.868 -0.046 0.000 0.876 105 T HN 0.704 nan 8.240 nan 0.000 0.405 106 G N 0.012 108.754 108.800 -0.095 0.000 2.462 106 G HA2 0.460 4.420 3.960 -0.001 0.000 0.319 106 G HA3 0.460 4.420 3.960 -0.001 0.000 0.319 106 G C -0.878 173.904 174.900 -0.197 0.000 1.171 106 G CA -0.601 44.399 45.100 -0.167 0.000 0.920 106 G HN 0.423 nan 8.290 nan 0.000 0.499 107 D N -1.477 118.665 120.400 -0.430 0.000 2.708 107 D HA -0.102 4.537 4.640 -0.001 0.000 0.236 107 D C 0.748 177.028 176.300 -0.033 0.000 1.146 107 D CA 0.926 54.613 54.000 -0.523 0.000 0.662 107 D CB -0.986 39.667 40.800 -0.245 0.000 1.059 107 D HN 0.727 nan 8.370 nan 0.000 0.428 108 A N 0.069 122.887 122.820 -0.004 0.000 2.371 108 A HA 0.620 4.939 4.320 -0.001 0.000 0.257 108 A C -0.150 177.470 177.584 0.060 0.000 1.089 108 A CA 0.044 52.148 52.037 0.111 0.000 0.794 108 A CB 0.525 19.565 19.000 0.067 0.000 1.029 108 A HN 0.190 nan 8.150 nan 0.000 0.488 109 F N 0.315 120.365 119.950 0.167 0.000 2.565 109 F HA 0.405 4.931 4.527 -0.001 0.000 0.313 109 F C 0.270 176.130 175.800 0.101 0.000 1.091 109 F CA -0.444 57.644 58.000 0.147 0.000 0.915 109 F CB 2.232 41.329 39.000 0.161 0.000 1.208 109 F HN 0.474 nan 8.300 nan 0.000 0.453 110 Q N 3.030 122.980 119.800 0.250 0.000 2.205 110 Q HA 0.652 4.991 4.340 -0.001 0.000 0.249 110 Q C -0.905 175.196 176.000 0.167 0.000 0.948 110 Q CA -0.674 55.225 55.803 0.161 0.000 0.895 110 Q CB 2.949 31.747 28.738 0.099 0.000 1.249 110 Q HN 0.791 nan 8.270 nan 0.000 0.458 111 I N 0.242 120.881 120.570 0.116 0.000 2.685 111 I HA 0.150 4.320 4.170 -0.001 0.000 0.289 111 I C -0.519 175.636 176.117 0.064 0.000 1.292 111 I CA -0.305 61.049 61.300 0.091 0.000 1.050 111 I CB 1.701 39.755 38.000 0.089 0.000 1.301 111 I HN 0.753 nan 8.210 nan 0.000 0.425 112 S N 5.374 121.103 115.700 0.049 0.000 2.584 112 S HA 0.236 4.706 4.470 -0.001 0.000 0.270 112 S C 0.839 175.457 174.600 0.030 0.000 1.346 112 S CA -0.410 57.812 58.200 0.036 0.000 1.018 112 S CB 1.357 64.573 63.200 0.028 0.000 0.899 112 S HN 0.682 nan 8.310 nan 0.000 0.542 113 E N 1.544 121.760 120.200 0.026 0.000 2.150 113 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 113 E C 2.002 178.611 176.600 0.015 0.000 0.985 113 E CA 1.611 58.025 56.400 0.023 0.000 0.814 113 E CB -0.425 29.288 29.700 0.021 0.000 0.752 113 E HN 0.974 nan 8.360 nan 0.000 0.466 114 E N 0.470 120.676 120.200 0.010 0.000 2.077 114 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 114 E C 2.154 178.749 176.600 -0.008 0.000 0.989 114 E CA 1.357 57.757 56.400 0.001 0.000 0.800 114 E CB -0.305 29.395 29.700 0.000 0.000 0.746 114 E HN -0.082 nan 8.360 nan 0.000 0.452 115 S N 0.973 116.670 115.700 -0.005 0.000 2.368 115 S HA -0.127 4.342 4.470 -0.001 0.000 0.225 115 S C 1.786 176.368 174.600 -0.029 0.000 1.030 115 S CA 1.314 59.501 58.200 -0.021 0.000 0.999 115 S CB -0.147 63.049 63.200 -0.007 0.000 0.844 115 S HN 0.234 nan 8.310 nan 0.000 0.459 116 K N 0.798 121.199 120.400 0.002 0.000 2.063 116 K HA -0.158 4.162 4.320 -0.001 0.000 0.208 116 K C 2.255 178.862 176.600 0.012 0.000 1.048 116 K CA 1.443 57.745 56.287 0.025 0.000 0.928 116 K CB -0.162 32.366 32.500 0.046 0.000 0.713 116 K HN 0.182 nan 8.250 nan 0.000 0.442 117 E N 1.638 121.839 120.200 0.002 0.000 2.051 117 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 117 E C 1.523 178.104 176.600 -0.032 0.000 0.991 117 E CA 1.647 58.045 56.400 -0.002 0.000 0.799 117 E CB 0.084 29.784 29.700 -0.000 0.000 0.748 117 E HN 0.132 nan 8.360 nan 0.000 0.449 118 K N -0.161 120.207 120.400 -0.053 0.000 2.211 118 K HA -0.030 4.289 4.320 -0.001 0.000 0.203 118 K C 2.077 178.588 176.600 -0.149 0.000 1.050 118 K CA 0.920 57.159 56.287 -0.080 0.000 0.945 118 K CB -0.105 32.353 32.500 -0.071 0.000 0.732 118 K HN 0.219 nan 8.250 nan 0.000 0.451 119 L N 0.862 121.953 121.223 -0.219 0.000 2.376 119 L HA -0.120 4.220 4.340 -0.001 0.000 0.219 119 L C 1.980 178.486 176.870 -0.607 0.000 1.133 119 L CA 0.826 55.366 54.840 -0.500 0.000 0.816 119 L CB -0.246 41.439 42.059 -0.623 0.000 0.933 119 L HN 0.122 nan 8.230 nan 0.000 0.449 120 K N 0.301 120.577 120.400 -0.206 0.000 2.044 120 K HA -0.279 4.040 4.320 -0.001 0.000 0.210 120 K C 1.690 178.284 176.600 -0.010 0.000 1.049 120 K CA 2.181 58.469 56.287 0.001 0.000 0.927 120 K CB -0.249 32.283 32.500 0.053 0.000 0.713 120 K HN 0.199 nan 8.250 nan 0.000 0.443 121 D N 0.256 120.627 120.400 -0.048 0.000 2.178 121 D HA -0.117 4.522 4.640 -0.001 0.000 0.202 121 D C 1.663 177.977 176.300 0.023 0.000 0.974 121 D CA 0.635 54.634 54.000 -0.002 0.000 0.841 121 D CB 0.242 41.030 40.800 -0.020 0.000 0.953 121 D HN -0.076 nan 8.370 nan 0.000 0.478 122 V N -0.061 119.802 119.914 -0.085 0.000 2.261 122 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 122 V C 2.131 178.335 176.094 0.183 0.000 1.047 122 V CA 1.622 63.934 62.300 0.021 0.000 1.015 122 V CB -0.805 30.878 31.823 -0.234 0.000 0.642 122 V HN 0.286 nan 8.190 nan 0.000 0.446 123 F N 0.321 120.347 119.950 0.127 0.000 2.161 123 F HA -0.214 4.313 4.527 -0.001 0.000 0.300 123 F C 2.603 178.464 175.800 0.101 0.000 1.089 123 F CA 1.778 59.832 58.000 0.091 0.000 1.282 123 F CB -0.208 38.803 39.000 0.018 0.000 1.010 123 F HN 0.200 nan 8.300 nan 0.000 0.485 124 E N -0.090 120.264 120.200 0.257 0.000 2.047 124 E HA -0.272 4.077 4.350 -0.001 0.000 0.191 124 E C 2.117 178.778 176.600 0.101 0.000 0.987 124 E CA 1.257 57.748 56.400 0.152 0.000 0.799 124 E CB -0.345 29.422 29.700 0.112 0.000 0.752 124 E HN 0.498 nan 8.360 nan 0.000 0.449 125 Y N -0.354 119.944 120.300 -0.002 0.000 2.163 125 Y HA -0.196 4.353 4.550 -0.001 0.000 0.288 125 Y C 1.354 177.132 175.900 -0.204 0.000 1.136 125 Y CA 1.852 59.858 58.100 -0.158 0.000 1.147 125 Y CB -0.520 37.751 38.460 -0.315 0.000 0.987 125 Y HN 0.107 nan 8.280 nan 0.000 0.509 126 W N 1.176 122.420 121.300 -0.092 0.000 2.961 126 W HA 0.005 4.664 4.660 -0.002 0.000 0.240 126 W C 0.489 176.923 176.519 -0.142 0.000 1.305 126 W CA 0.327 57.568 57.345 -0.173 0.000 1.465 126 W CB -0.856 28.586 29.460 -0.030 0.000 1.135 126 W HN 0.031 nan 8.180 nan 0.000 0.688 127 N N 0.896 119.620 118.700 0.040 0.000 2.414 127 N HA 0.167 4.907 4.740 -0.001 0.000 0.268 127 N C 1.182 176.678 175.510 -0.023 0.000 1.286 127 N CA 1.771 54.840 53.050 0.031 0.000 0.896 127 N CB 0.409 38.906 38.487 0.016 0.000 1.093 127 N HN 0.236 nan 8.380 nan 0.000 0.480 128 G N 3.295 112.106 108.800 0.018 0.000 2.184 128 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.264 128 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.264 128 G C 0.589 175.490 174.900 0.001 0.000 0.975 128 G CA 0.633 45.734 45.100 0.001 0.000 0.642 128 G HN 0.654 nan 8.290 nan 0.000 0.536 129 K N 0.667 121.081 120.400 0.024 0.000 2.387 129 K HA 0.234 4.553 4.320 -0.001 0.000 0.203 129 K C 1.211 177.929 176.600 0.196 0.000 1.030 129 K CA 0.599 56.922 56.287 0.060 0.000 1.099 129 K CB 0.712 33.156 32.500 -0.094 0.000 0.863 129 K HN 0.549 nan 8.250 nan 0.000 0.529 130 T N -1.816 112.827 114.554 0.149 0.000 2.847 130 T HA 0.055 4.405 4.350 -0.001 0.000 0.279 130 T C 1.683 176.398 174.700 0.025 0.000 0.984 130 T CA -0.346 61.803 62.100 0.082 0.000 0.988 130 T CB 1.429 70.314 68.868 0.028 0.000 1.040 130 T HN 0.122 nan 8.240 nan 0.000 0.528 131 T N -1.084 113.458 114.554 -0.020 0.000 2.821 131 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 131 T C 2.277 176.898 174.700 -0.131 0.000 1.046 131 T CA 1.330 63.388 62.100 -0.071 0.000 1.139 131 T CB -1.108 67.635 68.868 -0.208 0.000 0.871 131 T HN 0.783 nan 8.240 nan 0.000 0.454 132 S N 2.224 117.777 115.700 -0.246 0.000 2.370 132 S HA -0.199 4.271 4.470 -0.001 0.000 0.226 132 S C 1.991 176.423 174.600 -0.280 0.000 1.033 132 S CA 1.351 59.180 58.200 -0.618 0.000 1.011 132 S CB -0.689 61.974 63.200 -0.896 0.000 0.852 132 S HN 0.708 nan 8.310 nan 0.000 0.457 133 E N 0.809 120.953 120.200 -0.094 0.000 2.106 133 E HA -0.020 4.329 4.350 -0.001 0.000 0.192 133 E C 2.049 178.671 176.600 0.037 0.000 0.984 133 E CA 1.033 57.441 56.400 0.014 0.000 0.806 133 E CB -0.292 29.425 29.700 0.027 0.000 0.750 133 E HN 0.441 nan 8.360 nan 0.000 0.458 134 L N 0.908 122.151 121.223 0.033 0.000 2.109 134 L HA -0.031 4.309 4.340 -0.001 0.000 0.207 134 L C 2.173 179.130 176.870 0.145 0.000 1.086 134 L CA 1.716 56.584 54.840 0.047 0.000 0.760 134 L CB -0.561 41.551 42.059 0.089 0.000 0.910 134 L HN 0.030 nan 8.230 nan 0.000 0.437 135 A N -1.357 121.577 122.820 0.190 0.000 1.883 135 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 135 A C 2.287 180.056 177.584 0.307 0.000 1.186 135 A CA 2.445 54.663 52.037 0.301 0.000 0.624 135 A CB -1.279 17.898 19.000 0.296 0.000 0.822 135 A HN 0.495 nan 8.150 nan 0.000 0.444 136 T N 0.014 114.738 114.554 0.284 0.000 2.788 136 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 136 T C 2.203 176.986 174.700 0.138 0.000 1.044 136 T CA 1.638 63.877 62.100 0.231 0.000 1.139 136 T CB -0.292 68.716 68.868 0.232 0.000 0.867 136 T HN 0.496 nan 8.240 nan 0.000 0.454 137 S N 0.189 115.933 115.700 0.072 0.000 2.399 137 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 137 S C 1.609 176.187 174.600 -0.038 0.000 1.022 137 S CA 0.882 59.065 58.200 -0.028 0.000 0.983 137 S CB -0.393 62.724 63.200 -0.137 0.000 0.803 137 S HN 0.606 nan 8.310 nan 0.000 0.480 138 Y N 0.911 121.259 120.300 0.082 0.000 2.457 138 Y HA 0.192 4.741 4.550 -0.001 0.000 0.292 138 Y C 1.067 177.013 175.900 0.077 0.000 1.125 138 Y CA 0.001 58.145 58.100 0.075 0.000 1.254 138 Y CB -0.085 38.424 38.460 0.081 0.000 1.012 138 Y HN 0.182 nan 8.280 nan 0.000 0.555 139 M N 0.720 120.459 119.600 0.232 0.000 2.233 139 M HA 0.091 4.571 4.480 -0.001 0.000 0.350 139 M C 0.676 177.051 176.300 0.125 0.000 1.176 139 M CA -0.143 55.260 55.300 0.172 0.000 1.150 139 M CB 0.724 33.416 32.600 0.155 0.000 1.530 139 M HN 0.100 nan 8.290 nan 0.000 0.459 140 T N -1.813 112.810 114.554 0.114 0.000 2.828 140 T HA 0.120 4.469 4.350 -0.001 0.000 0.290 140 T C 0.861 175.598 174.700 0.062 0.000 1.019 140 T CA -0.699 61.453 62.100 0.087 0.000 1.031 140 T CB 1.140 70.064 68.868 0.092 0.000 1.001 140 T HN 0.720 nan 8.240 nan 0.000 0.531 141 E N 0.315 120.542 120.200 0.045 0.000 2.110 141 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 141 E C 2.009 178.611 176.600 0.003 0.000 0.988 141 E CA 1.807 58.222 56.400 0.026 0.000 0.804 141 E CB -0.360 29.354 29.700 0.023 0.000 0.745 141 E HN 0.905 nan 8.360 nan 0.000 0.458 142 E N -1.082 119.118 120.200 -0.001 0.000 2.110 142 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 142 E C 1.602 178.070 176.600 -0.221 0.000 0.988 142 E CA 1.626 57.983 56.400 -0.071 0.000 0.804 142 E CB -0.086 29.605 29.700 -0.016 0.000 0.745 142 E HN 0.241 nan 8.360 nan 0.000 0.458 143 T N 0.355 114.853 114.554 -0.094 0.000 2.777 143 T HA -0.067 4.282 4.350 -0.001 0.000 0.266 143 T C 1.762 176.461 174.700 -0.001 0.000 1.040 143 T CA 1.117 63.199 62.100 -0.029 0.000 1.141 143 T CB -0.132 68.843 68.868 0.178 0.000 0.868 143 T HN 0.186 nan 8.240 nan 0.000 0.444 144 R N 1.041 121.546 120.500 0.008 0.000 2.091 144 R HA -0.083 4.256 4.340 -0.001 0.000 0.238 144 R C 2.523 178.804 176.300 -0.032 0.000 1.136 144 R CA 1.458 57.559 56.100 0.002 0.000 0.959 144 R CB -0.193 30.115 30.300 0.013 0.000 0.856 144 R HN 0.553 nan 8.270 nan 0.000 0.437 145 E N 0.468 120.643 120.200 -0.041 0.000 2.047 145 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 145 E C 2.118 178.697 176.600 -0.036 0.000 0.987 145 E CA 1.107 57.484 56.400 -0.038 0.000 0.799 145 E CB -0.152 29.532 29.700 -0.026 0.000 0.752 145 E HN 0.366 nan 8.360 nan 0.000 0.449 146 A N 1.203 123.996 122.820 -0.045 0.000 1.940 146 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 146 A C 2.483 179.999 177.584 -0.112 0.000 1.176 146 A CA 1.134 53.213 52.037 0.070 0.000 0.631 146 A CB -0.599 18.405 19.000 0.008 0.000 0.814 146 A HN 0.119 nan 8.150 nan 0.000 0.446 147 V N 0.876 120.694 119.914 -0.161 0.000 2.626 147 V HA -0.139 3.980 4.120 -0.001 0.000 0.252 147 V C 0.985 176.844 176.094 -0.390 0.000 1.067 147 V CA 1.651 63.701 62.300 -0.417 0.000 1.081 147 V CB -0.696 31.059 31.823 -0.113 0.000 0.686 147 V HN 0.573 nan 8.190 nan 0.000 0.468 148 N N -1.329 117.240 118.700 -0.219 0.000 2.321 148 N HA 0.115 4.854 4.740 -0.001 0.000 0.242 148 N C 0.522 175.940 175.510 -0.153 0.000 1.141 148 N CA 0.113 53.068 53.050 -0.159 0.000 0.864 148 N CB 0.554 38.988 38.487 -0.088 0.000 1.100 148 N HN 0.367 nan 8.380 nan 0.000 0.510 149 C N 0.227 119.402 119.300 -0.208 0.000 2.780 149 C HA 0.133 4.593 4.460 -0.001 0.000 0.287 149 C C 0.475 175.296 174.990 -0.282 0.000 1.288 149 C CA -0.432 58.476 59.018 -0.183 0.000 1.713 149 C CB -0.962 26.734 27.740 -0.072 0.000 1.955 149 C HN 0.375 nan 8.230 nan 0.000 0.613 150 D N -0.219 120.000 120.400 -0.301 0.000 2.800 150 D HA -0.124 4.516 4.640 -0.001 0.000 0.232 150 D C 0.790 176.792 176.300 -0.497 0.000 1.137 150 D CA 0.855 54.659 54.000 -0.327 0.000 0.718 150 D CB -1.168 39.468 40.800 -0.273 0.000 1.084 150 D HN 0.347 nan 8.370 nan 0.000 0.432 151 V N -1.252 118.303 119.914 -0.598 0.000 3.151 151 V HA 0.241 4.360 4.120 -0.001 0.000 0.241 151 V C 0.543 176.227 176.094 -0.684 0.000 1.173 151 V CA 1.266 63.106 62.300 -0.765 0.000 1.154 151 V CB 0.147 31.404 31.823 -0.943 0.000 0.898 151 V HN 0.284 nan 8.190 nan 0.000 0.473 152 F N -1.800 117.920 119.950 -0.383 0.000 2.685 152 F HA 0.783 5.310 4.527 -0.001 0.000 0.315 152 F C -0.856 175.009 175.800 0.109 0.000 1.126 152 F CA -0.792 57.144 58.000 -0.106 0.000 0.950 152 F CB 1.681 40.698 39.000 0.028 0.000 1.360 152 F HN -0.251 nan 8.300 nan 0.000 0.469 153 T N 0.732 115.580 114.554 0.490 0.000 2.916 153 T HA 0.550 4.900 4.350 -0.001 0.000 0.298 153 T C -0.664 174.264 174.700 0.381 0.000 1.031 153 T CA -0.130 62.178 62.100 0.346 0.000 0.993 153 T CB 1.458 70.526 68.868 0.333 0.000 1.045 153 T HN 1.462 nan 8.240 nan 0.000 0.454 154 V N 2.657 122.742 119.914 0.285 0.000 3.006 154 V HA 0.534 4.653 4.120 -0.001 0.000 0.357 154 V C 1.725 177.901 176.094 0.138 0.000 1.377 154 V CA 0.525 62.942 62.300 0.195 0.000 1.198 154 V CB -0.079 31.884 31.823 0.232 0.000 1.216 154 V HN 0.873 nan 8.190 nan 0.000 0.520 155 G N 1.356 110.284 108.800 0.214 0.000 2.432 155 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.219 155 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.219 155 G C 1.290 176.391 174.900 0.336 0.000 1.135 155 G CA 1.117 46.404 45.100 0.312 0.000 0.767 155 G HN 0.535 nan 8.290 nan 0.000 0.550 156 N N 0.531 119.363 118.700 0.220 0.000 2.011 156 N HA -0.188 4.552 4.740 -0.001 0.000 0.199 156 N C 1.768 177.289 175.510 0.018 0.000 1.047 156 N CA 1.584 54.678 53.050 0.073 0.000 0.863 156 N CB -0.562 37.801 38.487 -0.206 0.000 1.056 156 N HN 0.571 nan 8.380 nan 0.000 0.427 157 Y N -2.035 118.182 120.300 -0.139 0.000 2.490 157 Y HA -0.017 4.533 4.550 -0.000 0.000 0.281 157 Y C 1.453 177.391 175.900 0.063 0.000 1.174 157 Y CA -0.375 57.583 58.100 -0.236 0.000 1.295 157 Y CB 0.050 38.135 38.460 -0.626 0.000 1.062 157 Y HN 0.165 nan 8.280 nan 0.000 0.522 158 Y N -0.660 119.686 120.300 0.077 0.000 2.231 158 Y HA -0.190 4.359 4.550 -0.001 0.000 0.294 158 Y C 1.497 177.349 175.900 -0.080 0.000 1.120 158 Y CA 1.323 59.400 58.100 -0.039 0.000 1.141 158 Y CB -0.532 37.789 38.460 -0.231 0.000 1.022 158 Y HN 0.049 nan 8.280 nan 0.000 0.523 159 Y N 0.079 120.499 120.300 0.201 0.000 2.420 159 Y HA 0.056 4.606 4.550 -0.001 0.000 0.292 159 Y C 0.786 176.756 175.900 0.115 0.000 1.119 159 Y CA 0.415 58.585 58.100 0.115 0.000 1.229 159 Y CB 0.137 38.614 38.460 0.028 0.000 1.026 159 Y HN 0.051 nan 8.280 nan 0.000 0.554 160 N N -1.463 117.317 118.700 0.133 0.000 3.229 160 N HA 0.273 5.012 4.740 -0.001 0.000 0.315 160 N C -0.179 174.935 175.510 -0.658 0.000 1.520 160 N CA -0.288 52.694 53.050 -0.113 0.000 0.769 160 N CB 0.603 39.040 38.487 -0.083 0.000 1.766 160 N HN 0.080 nan 8.380 nan 0.000 0.618 161 G N -0.175 107.952 108.800 -1.121 0.000 2.716 161 G HA2 0.303 4.262 3.960 -0.001 0.000 0.251 161 G HA3 0.303 4.262 3.960 -0.001 0.000 0.251 161 G C 0.988 175.423 174.900 -0.774 0.000 1.224 161 G CA -0.312 44.034 45.100 -1.257 0.000 0.891 161 G HN 0.202 nan 8.290 nan 0.000 0.561 162 V N 1.464 120.851 119.914 -0.878 0.000 2.278 162 V HA 0.308 4.427 4.120 -0.001 0.000 0.238 162 V C 2.432 178.162 176.094 -0.607 0.000 1.039 162 V CA 2.216 63.812 62.300 -1.173 0.000 1.017 162 V CB -1.556 29.490 31.823 -1.295 0.000 0.657 162 V HN 1.656 nan 8.190 nan 0.000 0.462 163 G N -0.808 107.763 108.800 -0.381 0.000 2.531 163 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.274 163 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.274 163 G C 0.020 174.908 174.900 -0.020 0.000 1.159 163 G CA 0.584 45.581 45.100 -0.172 0.000 0.969 163 G HN 1.134 nan 8.290 nan 0.000 0.554 164 H N -1.788 117.220 119.070 -0.102 0.000 2.591 164 H HA 0.141 4.696 4.556 -0.001 0.000 0.325 164 H C 0.251 175.661 175.328 0.136 0.000 1.096 164 H CA 1.713 57.792 56.048 0.052 0.000 1.108 164 H CB -1.328 28.490 29.762 0.093 0.000 1.590 164 H HN 1.810 nan 8.280 nan 0.000 0.399 165 V N 0.203 120.203 119.914 0.143 0.000 3.147 165 V HA 0.636 4.755 4.120 -0.001 0.000 0.299 165 V C -1.033 175.151 176.094 0.149 0.000 1.302 165 V CA 0.002 62.396 62.300 0.157 0.000 1.015 165 V CB 2.756 34.634 31.823 0.092 0.000 1.086 165 V HN 0.362 nan 8.190 nan 0.000 0.437 166 S N 4.187 119.992 115.700 0.176 0.000 2.669 166 S HA 0.627 5.096 4.470 -0.001 0.000 0.315 166 S C -0.376 174.298 174.600 0.123 0.000 1.106 166 S CA -0.028 58.320 58.200 0.248 0.000 1.107 166 S CB 0.747 64.124 63.200 0.295 0.000 0.990 166 S HN 1.711 nan 8.310 nan 0.000 0.471 167 V N 2.085 121.942 119.914 -0.095 0.000 3.546 167 V HA 0.477 4.596 4.120 -0.001 0.000 0.296 167 V C 0.684 176.637 176.094 -0.235 0.000 1.082 167 V CA -0.391 61.755 62.300 -0.256 0.000 1.086 167 V CB 0.452 31.992 31.823 -0.471 0.000 1.174 167 V HN 0.756 nan 8.190 nan 0.000 0.464 168 D N -0.005 120.278 120.400 -0.196 0.000 2.688 168 D HA 0.147 4.787 4.640 -0.001 0.000 0.228 168 D C 0.823 177.024 176.300 -0.165 0.000 1.116 168 D CA 0.212 54.149 54.000 -0.105 0.000 1.023 168 D CB -0.656 40.106 40.800 -0.063 0.000 1.100 168 D HN 0.662 nan 8.370 nan 0.000 0.487 169 Y N 0.460 120.638 120.300 -0.204 0.000 2.151 169 Y HA -0.172 4.378 4.550 -0.001 0.000 0.284 169 Y C 2.597 178.305 175.900 -0.321 0.000 1.166 169 Y CA 1.434 59.351 58.100 -0.305 0.000 1.163 169 Y CB -0.345 37.790 38.460 -0.542 0.000 0.974 169 Y HN 0.358 nan 8.280 nan 0.000 0.511 170 G N -0.227 108.458 108.800 -0.191 0.000 2.442 170 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.219 170 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.219 170 G C 1.658 176.588 174.900 0.050 0.000 1.141 170 G CA 1.191 46.288 45.100 -0.004 0.000 0.763 170 G HN 0.361 nan 8.290 nan 0.000 0.554 171 K N 0.005 120.409 120.400 0.006 0.000 2.025 171 K HA -0.016 4.304 4.320 -0.001 0.000 0.207 171 K C 2.547 179.136 176.600 -0.019 0.000 1.049 171 K CA 1.258 57.548 56.287 0.005 0.000 0.933 171 K CB -0.222 32.270 32.500 -0.014 0.000 0.714 171 K HN 0.180 nan 8.250 nan 0.000 0.438 172 V N 1.871 121.745 119.914 -0.068 0.000 2.515 172 V HA -0.219 3.900 4.120 -0.001 0.000 0.250 172 V C 2.287 178.309 176.094 -0.121 0.000 1.058 172 V CA 1.371 63.593 62.300 -0.130 0.000 1.064 172 V CB -0.369 31.333 31.823 -0.200 0.000 0.675 172 V HN 0.321 nan 8.190 nan 0.000 0.461 173 L N -0.357 120.835 121.223 -0.051 0.000 2.131 173 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 173 L C 2.727 179.632 176.870 0.058 0.000 1.092 173 L CA 1.721 56.533 54.840 -0.046 0.000 0.759 173 L CB -0.468 41.553 42.059 -0.063 0.000 0.903 173 L HN 0.283 nan 8.230 nan 0.000 0.435 174 R N 0.031 120.602 120.500 0.118 0.000 2.062 174 R HA -0.098 4.242 4.340 -0.001 0.000 0.226 174 R C 2.032 178.374 176.300 0.070 0.000 1.125 174 R CA 1.689 57.877 56.100 0.146 0.000 0.966 174 R CB 0.097 30.471 30.300 0.124 0.000 0.861 174 R HN 0.346 nan 8.270 nan 0.000 0.433 175 V N -2.309 117.619 119.914 0.022 0.000 3.644 175 V HA 0.403 4.522 4.120 -0.001 0.000 0.267 175 V C 0.758 176.840 176.094 -0.019 0.000 1.277 175 V CA 0.336 62.641 62.300 0.009 0.000 1.096 175 V CB -0.249 31.580 31.823 0.009 0.000 0.828 175 V HN 0.526 nan 8.190 nan 0.000 0.446 176 G N 0.320 109.069 108.800 -0.086 0.000 2.888 176 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.441 176 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.441 176 G C -0.093 174.726 174.900 -0.135 0.000 1.461 176 G CA 0.183 45.179 45.100 -0.173 0.000 0.897 176 G HN 0.370 nan 8.290 nan 0.000 0.547 177 F N 0.223 120.203 119.950 0.051 0.000 2.269 177 F HA -0.113 4.413 4.527 -0.002 0.000 0.301 177 F C 2.650 178.470 175.800 0.033 0.000 1.082 177 F CA 1.305 59.336 58.000 0.051 0.000 1.360 177 F CB -0.080 38.964 39.000 0.073 0.000 1.041 177 F HN 0.397 nan 8.300 nan 0.000 0.512 178 N N 0.432 119.239 118.700 0.178 0.000 2.188 178 N HA -0.097 4.642 4.740 -0.001 0.000 0.184 178 N C 2.223 177.777 175.510 0.074 0.000 1.018 178 N CA 1.236 54.352 53.050 0.110 0.000 0.858 178 N CB -0.951 37.584 38.487 0.079 0.000 0.989 178 N HN 0.333 nan 8.380 nan 0.000 0.426 179 G N 1.620 110.453 108.800 0.056 0.000 2.422 179 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.218 179 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.218 179 G C 1.470 176.392 174.900 0.036 0.000 1.146 179 G CA 0.288 45.409 45.100 0.035 0.000 0.769 179 G HN 0.155 nan 8.290 nan 0.000 0.547 180 I N 1.040 121.641 120.570 0.050 0.000 2.202 180 I HA -0.040 4.130 4.170 -0.001 0.000 0.242 180 I C 2.813 178.954 176.117 0.040 0.000 1.091 180 I CA 0.689 62.015 61.300 0.043 0.000 1.368 180 I CB -1.028 37.011 38.000 0.065 0.000 1.058 180 I HN 0.174 nan 8.210 nan 0.000 0.410 181 I N 1.182 121.788 120.570 0.061 0.000 2.208 181 I HA -0.333 3.836 4.170 -0.001 0.000 0.245 181 I C 2.182 178.315 176.117 0.026 0.000 1.097 181 I CA 1.335 62.658 61.300 0.039 0.000 1.363 181 I CB -0.508 37.522 38.000 0.050 0.000 1.051 181 I HN 0.285 nan 8.210 nan 0.000 0.413 182 N N 0.568 119.287 118.700 0.031 0.000 2.244 182 N HA -0.217 4.523 4.740 -0.001 0.000 0.183 182 N C 1.747 177.269 175.510 0.020 0.000 1.016 182 N CA 1.156 54.220 53.050 0.023 0.000 0.866 182 N CB -0.256 38.246 38.487 0.025 0.000 0.980 182 N HN 0.496 nan 8.380 nan 0.000 0.430 183 E N 0.683 120.896 120.200 0.021 0.000 2.107 183 E HA -0.031 4.318 4.350 -0.001 0.000 0.191 183 E C 1.795 178.409 176.600 0.023 0.000 0.982 183 E CA 0.862 57.275 56.400 0.021 0.000 0.809 183 E CB 0.028 29.740 29.700 0.021 0.000 0.756 183 E HN 0.287 nan 8.360 nan 0.000 0.459 184 A N 1.273 124.103 122.820 0.017 0.000 1.898 184 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 184 A C 2.036 179.628 177.584 0.014 0.000 1.181 184 A CA 1.516 53.559 52.037 0.012 0.000 0.620 184 A CB -0.306 18.682 19.000 -0.021 0.000 0.819 184 A HN 0.137 nan 8.150 nan 0.000 0.442 185 K N -0.272 120.134 120.400 0.010 0.000 2.097 185 K HA -0.130 4.190 4.320 -0.001 0.000 0.205 185 K C 1.909 178.516 176.600 0.010 0.000 1.050 185 K CA 1.502 57.794 56.287 0.008 0.000 0.938 185 K CB -0.150 32.354 32.500 0.006 0.000 0.718 185 K HN 0.626 nan 8.250 nan 0.000 0.442 186 E N 0.586 120.794 120.200 0.014 0.000 2.106 186 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 186 E C 2.109 178.719 176.600 0.016 0.000 0.984 186 E CA 0.914 57.322 56.400 0.012 0.000 0.806 186 E CB 0.046 29.755 29.700 0.014 0.000 0.750 186 E HN 0.161 nan 8.360 nan 0.000 0.458 187 Q N 0.829 120.647 119.800 0.029 0.000 2.119 187 Q HA -0.135 4.204 4.340 -0.001 0.000 0.201 187 Q C 1.969 177.995 176.000 0.043 0.000 0.972 187 Q CA 0.852 56.682 55.803 0.045 0.000 0.847 187 Q CB -0.147 28.634 28.738 0.071 0.000 0.903 187 Q HN 0.163 nan 8.270 nan 0.000 0.433 188 L N 0.623 121.867 121.223 0.035 0.000 2.079 188 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 188 L C 1.959 178.824 176.870 -0.008 0.000 1.081 188 L CA 1.844 56.699 54.840 0.026 0.000 0.752 188 L CB -0.553 41.516 42.059 0.018 0.000 0.896 188 L HN 0.232 nan 8.230 nan 0.000 0.433 189 E N -0.416 119.776 120.200 -0.013 0.000 2.152 189 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 189 E C 2.140 178.709 176.600 -0.052 0.000 0.983 189 E CA 0.764 57.146 56.400 -0.031 0.000 0.818 189 E CB -0.044 29.644 29.700 -0.019 0.000 0.758 189 E HN 0.514 nan 8.360 nan 0.000 0.467 190 K N 0.607 120.984 120.400 -0.037 0.000 2.217 190 K HA -0.024 4.296 4.320 -0.001 0.000 0.202 190 K C 1.453 177.982 176.600 -0.118 0.000 1.051 190 K CA 0.680 56.938 56.287 -0.049 0.000 0.952 190 K CB 0.052 32.548 32.500 -0.007 0.000 0.736 190 K HN -0.038 nan 8.250 nan 0.000 0.453 191 N N 1.469 120.090 118.700 -0.132 0.000 2.467 191 N HA -0.046 4.693 4.740 -0.001 0.000 0.184 191 N C -0.265 174.917 175.510 -0.547 0.000 1.106 191 N CA 0.226 53.066 53.050 -0.349 0.000 0.892 191 N CB -0.062 38.420 38.487 -0.009 0.000 0.969 191 N HN 0.247 nan 8.380 nan 0.000 0.454 192 R N 0.645 120.973 120.500 -0.287 0.000 2.501 192 R HA 0.151 4.490 4.340 -0.001 0.000 0.319 192 R C -0.099 176.002 176.300 -0.331 0.000 0.913 192 R CA 0.287 56.248 56.100 -0.232 0.000 1.104 192 R CB -0.004 30.216 30.300 -0.133 0.000 0.901 192 R HN -0.091 nan 8.270 nan 0.000 0.407 193 S N 2.711 118.222 115.700 -0.315 0.000 2.595 193 S HA 0.234 4.704 4.470 -0.001 0.000 0.270 193 S C 0.362 174.912 174.600 -0.084 0.000 1.145 193 S CA -0.826 57.214 58.200 -0.268 0.000 0.825 193 S CB 0.957 63.819 63.200 -0.563 0.000 1.107 193 S HN 0.734 nan 8.310 nan 0.000 0.461 194 I N -0.591 119.969 120.570 -0.017 0.000 3.728 194 I HA 0.388 4.557 4.170 -0.001 0.000 0.307 194 I C 0.461 176.632 176.117 0.089 0.000 1.276 194 I CA -0.108 61.211 61.300 0.031 0.000 1.285 194 I CB -0.153 37.857 38.000 0.017 0.000 1.038 194 I HN 0.423 nan 8.210 nan 0.000 0.445 195 D N 3.456 123.957 120.400 0.168 0.000 2.417 195 D HA 0.083 4.722 4.640 -0.001 0.000 0.250 195 D C -1.460 174.975 176.300 0.225 0.000 1.166 195 D CA -1.682 52.455 54.000 0.229 0.000 0.881 195 D CB 1.689 42.723 40.800 0.391 0.000 1.164 195 D HN 0.013 nan 8.370 nan 0.000 0.467 196 P HA -0.110 nan 4.420 nan 0.000 0.218 196 P C 0.698 178.018 177.300 0.033 0.000 1.148 196 P CA 0.728 63.867 63.100 0.066 0.000 0.822 196 P CB 0.313 32.030 31.700 0.029 0.000 0.784 197 D N -1.565 118.812 120.400 -0.039 0.000 2.263 197 D HA -0.110 4.529 4.640 -0.001 0.000 0.208 197 D C 1.350 177.502 176.300 -0.247 0.000 0.971 197 D CA 0.988 54.874 54.000 -0.189 0.000 0.867 197 D CB -0.466 40.132 40.800 -0.337 0.000 0.929 197 D HN 0.276 nan 8.370 nan 0.000 0.492 198 F N 0.358 120.310 119.950 0.004 0.000 2.780 198 F HA 0.130 4.657 4.527 0.000 0.000 0.299 198 F C 2.218 178.029 175.800 0.019 0.000 1.146 198 F CA -0.080 57.927 58.000 0.011 0.000 1.428 198 F CB -0.113 38.893 39.000 0.010 0.000 1.115 198 F HN -0.093 nan 8.300 nan 0.000 0.583 199 I N 0.237 120.894 120.570 0.145 0.000 2.142 199 I HA -0.320 3.849 4.170 -0.001 0.000 0.240 199 I C 2.226 178.390 176.117 0.078 0.000 1.078 199 I CA 1.594 62.952 61.300 0.097 0.000 1.343 199 I CB -0.375 37.662 38.000 0.061 0.000 1.046 199 I HN 0.054 nan 8.210 nan 0.000 0.405 200 K N 0.730 121.160 120.400 0.050 0.000 2.155 200 K HA -0.122 4.198 4.320 -0.001 0.000 0.203 200 K C 2.080 178.735 176.600 0.091 0.000 1.052 200 K CA 1.019 57.337 56.287 0.051 0.000 0.948 200 K CB -0.027 32.481 32.500 0.013 0.000 0.728 200 K HN 0.278 nan 8.250 nan 0.000 0.448 201 K N 0.900 121.350 120.400 0.084 0.000 2.097 201 K HA -0.154 4.166 4.320 -0.001 0.000 0.205 201 K C 2.110 178.836 176.600 0.209 0.000 1.050 201 K CA 0.924 57.298 56.287 0.145 0.000 0.938 201 K CB 0.032 32.603 32.500 0.117 0.000 0.718 201 K HN 0.153 nan 8.250 nan 0.000 0.442 202 E N 1.597 121.898 120.200 0.168 0.000 2.077 202 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 202 E C 1.629 178.287 176.600 0.098 0.000 0.989 202 E CA 1.311 57.788 56.400 0.128 0.000 0.800 202 E CB 0.234 29.997 29.700 0.105 0.000 0.746 202 E HN 0.050 nan 8.360 nan 0.000 0.452 203 K N 0.285 120.745 120.400 0.100 0.000 2.097 203 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 203 K C 2.044 178.696 176.600 0.088 0.000 1.049 203 K CA 0.822 57.154 56.287 0.075 0.000 0.933 203 K CB -0.915 31.628 32.500 0.072 0.000 0.717 203 K HN 0.208 nan 8.250 nan 0.000 0.442 204 F N 1.716 121.679 119.950 0.021 0.000 2.113 204 F HA -0.107 4.418 4.527 -0.003 0.000 0.297 204 F C 1.917 177.731 175.800 0.024 0.000 1.103 204 F CA 1.154 59.167 58.000 0.021 0.000 1.248 204 F CB -0.294 38.716 39.000 0.015 0.000 0.999 204 F HN -0.133 nan 8.300 nan 0.000 0.475 205 L N 0.245 121.433 121.223 -0.059 0.000 2.083 205 L HA -0.238 4.101 4.340 -0.001 0.000 0.209 205 L C 2.199 178.970 176.870 -0.164 0.000 1.083 205 L CA 1.230 55.982 54.840 -0.148 0.000 0.752 205 L CB -0.832 41.252 42.059 0.042 0.000 0.899 205 L HN 0.197 nan 8.230 nan 0.000 0.433 206 N N -0.641 118.005 118.700 -0.090 0.000 2.331 206 N HA -0.101 4.638 4.740 -0.001 0.000 0.180 206 N C 1.947 177.394 175.510 -0.106 0.000 1.019 206 N CA 1.065 54.071 53.050 -0.073 0.000 0.881 206 N CB 0.108 38.575 38.487 -0.033 0.000 0.972 206 N HN 0.204 nan 8.380 nan 0.000 0.435 207 S N 0.129 115.734 115.700 -0.158 0.000 2.406 207 S HA 0.004 4.473 4.470 -0.001 0.000 0.228 207 S C 2.194 176.679 174.600 -0.192 0.000 1.020 207 S CA 0.291 58.400 58.200 -0.151 0.000 0.965 207 S CB 0.084 63.203 63.200 -0.135 0.000 0.798 207 S HN 0.062 nan 8.310 nan 0.000 0.488 208 V N 2.134 121.849 119.914 -0.332 0.000 2.358 208 V HA -0.132 3.987 4.120 -0.001 0.000 0.246 208 V C 2.010 178.036 176.094 -0.112 0.000 1.047 208 V CA 1.414 63.553 62.300 -0.268 0.000 1.035 208 V CB -0.574 31.023 31.823 -0.377 0.000 0.658 208 V HN 0.454 nan 8.190 nan 0.000 0.452 209 I N -0.386 120.122 120.570 -0.103 0.000 2.179 209 I HA -0.254 3.915 4.170 -0.001 0.000 0.242 209 I C 2.291 178.386 176.117 -0.037 0.000 1.088 209 I CA 1.808 63.078 61.300 -0.049 0.000 1.357 209 I CB -0.329 37.645 38.000 -0.043 0.000 1.051 209 I HN 0.226 nan 8.210 nan 0.000 0.409 210 I N 0.184 120.724 120.570 -0.049 0.000 2.208 210 I HA -0.292 3.877 4.170 -0.001 0.000 0.245 210 I C 2.628 178.718 176.117 -0.045 0.000 1.097 210 I CA 1.336 62.609 61.300 -0.044 0.000 1.363 210 I CB -0.322 37.651 38.000 -0.046 0.000 1.051 210 I HN 0.165 nan 8.210 nan 0.000 0.413 211 S N -0.113 115.570 115.700 -0.030 0.000 2.356 211 S HA -0.187 4.282 4.470 -0.001 0.000 0.223 211 S C 2.111 176.704 174.600 -0.012 0.000 1.032 211 S CA 1.429 59.625 58.200 -0.007 0.000 1.005 211 S CB -0.422 62.834 63.200 0.094 0.000 0.867 211 S HN 0.493 nan 8.310 nan 0.000 0.449 212 C N 1.750 121.077 119.300 0.045 0.000 2.450 212 C HA 0.024 4.483 4.460 -0.001 0.000 0.279 212 C C 2.532 177.465 174.990 -0.095 0.000 1.335 212 C CA 0.248 59.279 59.018 0.020 0.000 1.749 212 C CB -1.194 26.614 27.740 0.113 0.000 1.963 212 C HN 0.625 nan 8.230 nan 0.000 0.501 213 E N 1.129 121.295 120.200 -0.057 0.000 2.150 213 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 213 E C 2.321 178.861 176.600 -0.101 0.000 0.985 213 E CA 1.195 57.561 56.400 -0.057 0.000 0.814 213 E CB -0.191 29.489 29.700 -0.033 0.000 0.752 213 E HN 0.681 nan 8.360 nan 0.000 0.466 214 A N 1.520 124.262 122.820 -0.130 0.000 1.930 214 A HA -0.024 4.295 4.320 -0.001 0.000 0.217 214 A C 2.381 179.832 177.584 -0.222 0.000 1.175 214 A CA 1.379 53.327 52.037 -0.149 0.000 0.627 214 A CB -0.443 18.463 19.000 -0.157 0.000 0.815 214 A HN 0.275 nan 8.150 nan 0.000 0.443 215 A N 0.216 122.807 122.820 -0.381 0.000 1.902 215 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 215 A C 2.093 179.428 177.584 -0.414 0.000 1.181 215 A CA 1.510 53.194 52.037 -0.589 0.000 0.623 215 A CB -0.618 17.683 19.000 -1.164 0.000 0.818 215 A HN 0.491 nan 8.150 nan 0.000 0.443 216 I N -0.382 120.002 120.570 -0.309 0.000 2.208 216 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 216 I C 2.556 178.625 176.117 -0.081 0.000 1.097 216 I CA 1.796 63.032 61.300 -0.106 0.000 1.363 216 I CB -0.670 37.321 38.000 -0.015 0.000 1.051 216 I HN 0.265 nan 8.210 nan 0.000 0.413 217 T N -0.159 114.350 114.554 -0.074 0.000 2.746 217 T HA -0.242 4.107 4.350 -0.001 0.000 0.267 217 T C 1.779 176.464 174.700 -0.024 0.000 1.039 217 T CA 1.406 63.480 62.100 -0.043 0.000 1.142 217 T CB -0.445 68.402 68.868 -0.034 0.000 0.866 217 T HN 0.308 nan 8.240 nan 0.000 0.444 218 Y N 1.964 122.167 120.300 -0.160 0.000 2.128 218 Y HA -0.177 4.372 4.550 -0.001 0.000 0.284 218 Y C 2.335 178.184 175.900 -0.084 0.000 1.154 218 Y CA 0.776 58.806 58.100 -0.115 0.000 1.149 218 Y CB -0.709 37.657 38.460 -0.157 0.000 0.976 218 Y HN -0.014 nan 8.280 nan 0.000 0.505 219 V N 0.576 120.325 119.914 -0.275 0.000 2.407 219 V HA -0.342 3.777 4.120 -0.001 0.000 0.248 219 V C 1.863 177.842 176.094 -0.191 0.000 1.055 219 V CA 2.289 64.266 62.300 -0.539 0.000 1.049 219 V CB -0.848 30.614 31.823 -0.601 0.000 0.662 219 V HN 0.461 nan 8.190 nan 0.000 0.455 220 N N -0.337 118.294 118.700 -0.114 0.000 2.309 220 N HA -0.129 4.610 4.740 -0.001 0.000 0.182 220 N C 1.995 177.470 175.510 -0.058 0.000 1.018 220 N CA 0.733 53.751 53.050 -0.053 0.000 0.876 220 N CB -0.117 38.346 38.487 -0.040 0.000 0.972 220 N HN 0.454 nan 8.380 nan 0.000 0.434 221 R N -0.383 120.048 120.500 -0.114 0.000 2.115 221 R HA -0.097 4.243 4.340 -0.001 0.000 0.230 221 R C 1.276 177.448 176.300 -0.213 0.000 1.111 221 R CA 1.052 57.043 56.100 -0.180 0.000 0.976 221 R CB -0.201 29.937 30.300 -0.270 0.000 0.870 221 R HN 0.381 nan 8.270 nan 0.000 0.445 222 Y N 0.183 120.398 120.300 -0.142 0.000 2.337 222 Y HA -0.055 4.495 4.550 -0.001 0.000 0.293 222 Y C 2.461 178.371 175.900 0.017 0.000 1.123 222 Y CA 0.972 59.055 58.100 -0.028 0.000 1.201 222 Y CB -0.177 38.344 38.460 0.102 0.000 1.011 222 Y HN 0.090 nan 8.280 nan 0.000 0.545 223 A N 0.252 123.155 122.820 0.139 0.000 1.902 223 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 223 A C 2.222 179.835 177.584 0.048 0.000 1.181 223 A CA 1.936 54.029 52.037 0.093 0.000 0.623 223 A CB -0.548 18.487 19.000 0.058 0.000 0.818 223 A HN 0.399 nan 8.150 nan 0.000 0.443 224 K N -0.424 119.982 120.400 0.009 0.000 2.062 224 K HA -0.169 4.151 4.320 -0.001 0.000 0.205 224 K C 2.102 178.693 176.600 -0.014 0.000 1.051 224 K CA 1.649 57.930 56.287 -0.010 0.000 0.941 224 K CB -0.130 32.349 32.500 -0.034 0.000 0.719 224 K HN 0.249 nan 8.250 nan 0.000 0.440 225 K N 0.904 121.283 120.400 -0.035 0.000 2.057 225 K HA -0.085 4.234 4.320 -0.001 0.000 0.207 225 K C 1.781 178.391 176.600 0.017 0.000 1.049 225 K CA 1.545 57.809 56.287 -0.039 0.000 0.931 225 K CB -0.432 32.003 32.500 -0.108 0.000 0.714 225 K HN 0.257 nan 8.250 nan 0.000 0.440 226 A N 1.209 124.064 122.820 0.058 0.000 1.851 226 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 226 A C 2.000 179.614 177.584 0.050 0.000 1.195 226 A CA 1.886 53.968 52.037 0.076 0.000 0.622 226 A CB -0.567 18.495 19.000 0.103 0.000 0.831 226 A HN 0.201 nan 8.150 nan 0.000 0.444 227 K N -0.366 120.057 120.400 0.038 0.000 2.063 227 K HA -0.205 4.114 4.320 -0.001 0.000 0.208 227 K C 1.999 178.611 176.600 0.020 0.000 1.048 227 K CA 1.695 57.998 56.287 0.027 0.000 0.928 227 K CB -0.466 32.046 32.500 0.020 0.000 0.713 227 K HN 0.804 nan 8.250 nan 0.000 0.442 228 E N 0.627 120.834 120.200 0.013 0.000 2.085 228 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 228 E C 2.030 178.637 176.600 0.012 0.000 0.994 228 E CA 1.083 57.486 56.400 0.006 0.000 0.801 228 E CB -0.030 29.667 29.700 -0.005 0.000 0.743 228 E HN 0.267 nan 8.360 nan 0.000 0.453 229 I N 0.692 121.274 120.570 0.020 0.000 2.286 229 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 229 I C 2.616 178.749 176.117 0.027 0.000 1.104 229 I CA 0.730 62.045 61.300 0.025 0.000 1.397 229 I CB -0.331 37.690 38.000 0.036 0.000 1.072 229 I HN 0.178 nan 8.210 nan 0.000 0.417 230 A N 0.718 123.557 122.820 0.031 0.000 1.908 230 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 230 A C 1.849 179.447 177.584 0.023 0.000 1.181 230 A CA 2.107 54.163 52.037 0.031 0.000 0.627 230 A CB -0.618 18.403 19.000 0.034 0.000 0.818 230 A HN 0.335 nan 8.150 nan 0.000 0.445 231 D N -0.757 119.654 120.400 0.019 0.000 2.350 231 D HA -0.079 4.560 4.640 -0.001 0.000 0.216 231 D C 0.878 177.185 176.300 0.013 0.000 0.968 231 D CA 1.044 55.053 54.000 0.014 0.000 0.894 231 D CB -0.232 40.574 40.800 0.011 0.000 0.909 231 D HN 0.515 nan 8.370 nan 0.000 0.520 232 N N -0.239 118.470 118.700 0.014 0.000 2.401 232 N HA 0.028 4.767 4.740 -0.001 0.000 0.264 232 N C -1.339 174.180 175.510 0.015 0.000 1.238 232 N CA -0.078 52.980 53.050 0.013 0.000 0.889 232 N CB 0.453 38.947 38.487 0.011 0.000 1.196 232 N HN -0.270 nan 8.380 nan 0.000 0.511 233 T N -0.585 113.979 114.554 0.017 0.000 2.809 233 T HA 0.256 4.605 4.350 -0.001 0.000 0.284 233 T C 0.823 175.533 174.700 0.016 0.000 0.992 233 T CA -0.516 61.595 62.100 0.019 0.000 0.957 233 T CB 1.636 70.519 68.868 0.025 0.000 0.942 233 T HN -0.013 nan 8.240 nan 0.000 0.439 234 S N 1.863 117.572 115.700 0.015 0.000 2.357 234 S HA -0.046 4.423 4.470 -0.001 0.000 0.221 234 S C 1.013 175.621 174.600 0.013 0.000 1.031 234 S CA 0.440 58.647 58.200 0.012 0.000 0.982 234 S CB -0.087 63.120 63.200 0.011 0.000 0.853 234 S HN 0.811 nan 8.310 nan 0.000 0.458 235 D N 1.654 122.062 120.400 0.014 0.000 2.451 235 D HA 0.109 4.749 4.640 -0.001 0.000 0.254 235 D C 1.083 177.392 176.300 0.016 0.000 1.204 235 D CA 0.236 54.245 54.000 0.014 0.000 0.896 235 D CB 1.037 41.847 40.800 0.016 0.000 1.136 235 D HN 0.203 nan 8.370 nan 0.000 0.499 236 A N 5.420 128.248 122.820 0.013 0.000 1.908 236 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 236 A C 2.114 179.707 177.584 0.015 0.000 1.181 236 A CA 1.608 53.653 52.037 0.013 0.000 0.627 236 A CB -0.260 18.745 19.000 0.009 0.000 0.818 236 A HN 0.723 nan 8.150 nan 0.000 0.445 237 K N -0.922 119.486 120.400 0.014 0.000 2.002 237 K HA -0.208 4.111 4.320 -0.001 0.000 0.209 237 K C 2.332 178.948 176.600 0.027 0.000 1.048 237 K CA 1.652 57.948 56.287 0.015 0.000 0.930 237 K CB -0.164 32.343 32.500 0.011 0.000 0.714 237 K HN 0.260 nan 8.250 nan 0.000 0.438 238 R N 1.596 122.115 120.500 0.031 0.000 2.092 238 R HA -0.075 4.265 4.340 -0.001 0.000 0.231 238 R C 1.993 178.319 176.300 0.045 0.000 1.119 238 R CA 1.727 57.852 56.100 0.042 0.000 0.970 238 R CB -0.293 30.029 30.300 0.038 0.000 0.864 238 R HN 0.181 nan 8.270 nan 0.000 0.440 239 K N -0.569 119.852 120.400 0.035 0.000 2.057 239 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 239 K C 1.779 178.402 176.600 0.038 0.000 1.049 239 K CA 1.493 57.800 56.287 0.034 0.000 0.931 239 K CB -0.223 32.292 32.500 0.025 0.000 0.714 239 K HN 0.240 nan 8.250 nan 0.000 0.440 240 A N 1.030 123.871 122.820 0.035 0.000 1.930 240 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 240 A C 1.811 179.429 177.584 0.056 0.000 1.175 240 A CA 1.513 53.572 52.037 0.037 0.000 0.627 240 A CB -0.370 18.645 19.000 0.025 0.000 0.815 240 A HN 0.443 nan 8.150 nan 0.000 0.443 241 E N -0.166 120.076 120.200 0.071 0.000 2.051 241 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 241 E C 1.908 178.577 176.600 0.114 0.000 0.991 241 E CA 1.213 57.681 56.400 0.114 0.000 0.799 241 E CB -0.281 29.491 29.700 0.120 0.000 0.748 241 E HN 0.612 nan 8.360 nan 0.000 0.449 242 L N 1.249 122.525 121.223 0.088 0.000 2.131 242 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 242 L C 2.106 179.017 176.870 0.068 0.000 1.092 242 L CA 0.650 55.540 54.840 0.083 0.000 0.759 242 L CB -0.346 41.753 42.059 0.068 0.000 0.903 242 L HN 0.153 nan 8.230 nan 0.000 0.435 243 N N -0.262 118.471 118.700 0.055 0.000 2.270 243 N HA -0.182 4.558 4.740 -0.001 0.000 0.181 243 N C 1.830 177.361 175.510 0.035 0.000 1.016 243 N CA 0.935 54.010 53.050 0.041 0.000 0.870 243 N CB 0.080 38.587 38.487 0.034 0.000 0.979 243 N HN 0.301 nan 8.380 nan 0.000 0.431 244 E N 1.138 121.364 120.200 0.042 0.000 2.152 244 E HA 0.055 4.405 4.350 -0.001 0.000 0.192 244 E C 1.942 178.517 176.600 -0.043 0.000 0.983 244 E CA 0.575 56.983 56.400 0.013 0.000 0.818 244 E CB -0.158 29.578 29.700 0.060 0.000 0.758 244 E HN 0.304 nan 8.360 nan 0.000 0.467 245 I N 0.333 120.910 120.570 0.012 0.000 2.252 245 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 245 I C 2.344 178.486 176.117 0.041 0.000 1.102 245 I CA 1.025 62.335 61.300 0.016 0.000 1.385 245 I CB -0.419 37.645 38.000 0.106 0.000 1.064 245 I HN 0.189 nan 8.210 nan 0.000 0.414 246 A N 0.751 123.604 122.820 0.055 0.000 1.940 246 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 246 A C 2.393 180.001 177.584 0.039 0.000 1.176 246 A CA 2.020 54.092 52.037 0.059 0.000 0.631 246 A CB -0.535 18.494 19.000 0.048 0.000 0.814 246 A HN 0.384 nan 8.150 nan 0.000 0.446 247 K N -0.301 120.108 120.400 0.016 0.000 2.025 247 K HA -0.060 4.260 4.320 -0.001 0.000 0.207 247 K C 1.844 178.444 176.600 -0.001 0.000 1.049 247 K CA 1.531 57.822 56.287 0.007 0.000 0.933 247 K CB -0.297 32.201 32.500 -0.003 0.000 0.714 247 K HN 0.490 nan 8.250 nan 0.000 0.438 248 I N 0.865 121.410 120.570 -0.042 0.000 2.252 248 I HA -0.339 3.830 4.170 -0.001 0.000 0.245 248 I C 2.466 178.612 176.117 0.050 0.000 1.102 248 I CA 0.891 62.162 61.300 -0.049 0.000 1.385 248 I CB -0.300 37.571 38.000 -0.215 0.000 1.064 248 I HN 0.342 nan 8.210 nan 0.000 0.414 249 C N 0.054 119.413 119.300 0.099 0.000 2.425 249 C HA -0.133 4.326 4.460 -0.001 0.000 0.277 249 C C 3.197 178.241 174.990 0.090 0.000 1.280 249 C CA 1.118 60.240 59.018 0.173 0.000 1.744 249 C CB -0.923 26.953 27.740 0.226 0.000 1.989 249 C HN 0.483 nan 8.230 nan 0.000 0.491 250 S N 0.133 115.870 115.700 0.062 0.000 2.382 250 S HA -0.192 4.277 4.470 -0.001 0.000 0.228 250 S C 1.937 176.564 174.600 0.045 0.000 1.027 250 S CA 1.453 59.678 58.200 0.042 0.000 0.991 250 S CB -0.244 62.975 63.200 0.033 0.000 0.823 250 S HN 0.714 nan 8.310 nan 0.000 0.469 251 K N 1.325 121.754 120.400 0.049 0.000 2.021 251 K HA -0.033 4.286 4.320 -0.001 0.000 0.205 251 K C 1.860 178.498 176.600 0.064 0.000 1.047 251 K CA 1.535 57.852 56.287 0.050 0.000 0.943 251 K CB -0.232 32.295 32.500 0.045 0.000 0.725 251 K HN 0.331 nan 8.250 nan 0.000 0.439 252 V N 0.528 120.490 119.914 0.081 0.000 3.541 252 V HA -0.055 4.065 4.120 -0.001 0.000 0.272 252 V C 1.730 177.897 176.094 0.123 0.000 1.215 252 V CA 1.275 63.631 62.300 0.094 0.000 1.176 252 V CB -0.658 31.245 31.823 0.132 0.000 0.854 252 V HN 0.376 nan 8.190 nan 0.000 0.496 253 S N 0.863 116.623 115.700 0.100 0.000 2.382 253 S HA 0.034 4.504 4.470 -0.001 0.000 0.228 253 S C 1.732 176.466 174.600 0.224 0.000 1.027 253 S CA 1.561 59.822 58.200 0.100 0.000 0.991 253 S CB -0.463 62.758 63.200 0.035 0.000 0.823 253 S HN 0.886 nan 8.310 nan 0.000 0.469 254 G N 0.124 109.024 108.800 0.166 0.000 2.535 254 G HA2 0.303 4.263 3.960 -0.001 0.000 0.191 254 G HA3 0.303 4.263 3.960 -0.001 0.000 0.191 254 G C 0.107 175.070 174.900 0.105 0.000 1.242 254 G CA -0.412 44.799 45.100 0.186 0.000 0.797 254 G HN 0.462 nan 8.290 nan 0.000 0.863 255 E N 0.287 120.527 120.200 0.067 0.000 2.312 255 E HA 0.495 4.844 4.350 -0.001 0.000 0.259 255 E C 0.628 177.233 176.600 0.009 0.000 1.122 255 E CA -0.407 56.017 56.400 0.040 0.000 0.922 255 E CB 1.250 30.978 29.700 0.046 0.000 1.109 255 E HN 0.158 nan 8.360 nan 0.000 0.442 256 G N -0.192 108.617 108.800 0.015 0.000 2.616 256 G HA2 0.435 4.394 3.960 -0.001 0.000 0.268 256 G HA3 0.435 4.394 3.960 -0.001 0.000 0.268 256 G C -0.629 174.296 174.900 0.041 0.000 1.213 256 G CA -0.257 44.849 45.100 0.010 0.000 0.926 256 G HN 0.516 nan 8.290 nan 0.000 0.523 257 A N -0.622 122.221 122.820 0.038 0.000 2.286 257 A HA 0.662 4.982 4.320 -0.001 0.000 0.286 257 A C 0.913 178.628 177.584 0.218 0.000 1.097 257 A CA -0.067 51.998 52.037 0.047 0.000 0.821 257 A CB 1.456 20.356 19.000 -0.166 0.000 1.076 257 A HN 0.705 nan 8.150 nan 0.000 0.490 258 K N 0.148 120.675 120.400 0.210 0.000 2.418 258 K HA 0.152 4.471 4.320 -0.001 0.000 0.208 258 K C 0.936 177.715 176.600 0.300 0.000 1.261 258 K CA 1.041 57.475 56.287 0.245 0.000 0.874 258 K CB 0.065 32.651 32.500 0.144 0.000 1.451 258 K HN 0.795 nan 8.250 nan 0.000 0.466 259 S N -0.630 115.214 115.700 0.239 0.000 2.681 259 S HA 0.222 4.691 4.470 -0.001 0.000 0.270 259 S C 1.003 175.805 174.600 0.337 0.000 1.209 259 S CA -0.579 57.785 58.200 0.274 0.000 0.988 259 S CB 0.433 63.777 63.200 0.239 0.000 1.006 259 S HN 0.189 nan 8.310 nan 0.000 0.558 260 F N 0.613 120.694 119.950 0.219 0.000 2.146 260 F HA -0.014 4.513 4.527 -0.001 0.000 0.298 260 F C 2.122 178.045 175.800 0.205 0.000 1.096 260 F CA 1.347 59.468 58.000 0.202 0.000 1.275 260 F CB -0.621 38.492 39.000 0.189 0.000 1.008 260 F HN 0.762 nan 8.300 nan 0.000 0.480 261 Y N 1.586 121.964 120.300 0.131 0.000 2.165 261 Y HA -0.208 4.341 4.550 -0.001 0.000 0.286 261 Y C 2.312 178.199 175.900 -0.022 0.000 1.155 261 Y CA 2.020 60.139 58.100 0.030 0.000 1.164 261 Y CB -0.881 37.688 38.460 0.183 0.000 0.978 261 Y HN 0.249 nan 8.280 nan 0.000 0.513 262 E N -0.589 119.723 120.200 0.187 0.000 2.077 262 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 262 E C 2.370 178.968 176.600 -0.004 0.000 0.989 262 E CA 1.047 57.490 56.400 0.073 0.000 0.800 262 E CB -0.275 29.465 29.700 0.068 0.000 0.746 262 E HN 0.482 nan 8.360 nan 0.000 0.452 263 A N 0.678 123.415 122.820 -0.139 0.000 1.902 263 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 263 A C 2.410 179.893 177.584 -0.170 0.000 1.181 263 A CA 1.174 53.004 52.037 -0.345 0.000 0.623 263 A CB -0.824 17.770 19.000 -0.676 0.000 0.818 263 A HN 0.363 nan 8.150 nan 0.000 0.443 264 C N -1.346 117.821 119.300 -0.222 0.000 2.429 264 C HA -0.082 4.377 4.460 -0.001 0.000 0.277 264 C C 2.865 177.966 174.990 0.184 0.000 1.262 264 C CA 1.463 60.442 59.018 -0.066 0.000 1.733 264 C CB -0.980 26.626 27.740 -0.223 0.000 2.010 264 C HN 0.767 nan 8.230 nan 0.000 0.483 265 Q N 0.548 120.449 119.800 0.169 0.000 2.083 265 Q HA -0.095 4.245 4.340 -0.001 0.000 0.198 265 Q C 1.973 178.097 176.000 0.206 0.000 0.969 265 Q CA 1.375 57.274 55.803 0.161 0.000 0.838 265 Q CB -0.550 28.285 28.738 0.163 0.000 0.900 265 Q HN 0.530 nan 8.270 nan 0.000 0.436 266 L N -0.040 121.326 121.223 0.238 0.000 2.093 266 L HA -0.013 4.327 4.340 -0.001 0.000 0.208 266 L C 1.994 179.026 176.870 0.271 0.000 1.085 266 L CA 1.640 56.644 54.840 0.274 0.000 0.755 266 L CB -1.011 41.107 42.059 0.097 0.000 0.904 266 L HN 0.407 nan 8.230 nan 0.000 0.435 267 F N -0.744 119.296 119.950 0.150 0.000 2.069 267 F HA -0.295 4.231 4.527 -0.002 0.000 0.298 267 F C 2.340 178.330 175.800 0.316 0.000 1.113 267 F CA 2.234 60.370 58.000 0.228 0.000 1.214 267 F CB -0.874 38.258 39.000 0.220 0.000 0.978 267 F HN 0.325 nan 8.300 nan 0.000 0.474 268 W N 0.156 121.442 121.300 -0.023 0.000 2.363 268 W HA -0.279 4.381 4.660 -0.000 0.000 0.296 268 W C 1.893 178.372 176.519 -0.067 0.000 1.212 268 W CA 1.486 58.731 57.345 -0.166 0.000 1.260 268 W CB -0.654 28.730 29.460 -0.126 0.000 1.131 268 W HN 0.111 nan 8.180 nan 0.000 0.530 269 F N 0.723 120.673 119.950 -0.000 0.000 2.134 269 F HA -0.184 4.343 4.527 -0.001 0.000 0.299 269 F C 2.403 178.228 175.800 0.041 0.000 1.097 269 F CA 1.425 59.430 58.000 0.008 0.000 1.264 269 F CB -1.241 37.895 39.000 0.227 0.000 1.001 269 F HN -0.221 nan 8.300 nan 0.000 0.479 270 I N -0.976 119.778 120.570 0.307 0.000 2.127 270 I HA -0.363 3.807 4.170 -0.001 0.000 0.241 270 I C 2.487 178.668 176.117 0.106 0.000 1.075 270 I CA 1.865 63.354 61.300 0.314 0.000 1.334 270 I CB -0.608 37.511 38.000 0.198 0.000 1.040 270 I HN 0.117 nan 8.210 nan 0.000 0.405 271 H N 0.836 119.775 119.070 -0.219 0.000 2.319 271 H HA -0.159 4.396 4.556 -0.001 0.000 0.299 271 H C 2.178 177.237 175.328 -0.449 0.000 1.092 271 H CA 1.931 57.783 56.048 -0.328 0.000 1.302 271 H CB -0.041 29.348 29.762 -0.622 0.000 1.373 271 H HN 0.326 nan 8.280 nan 0.000 0.497 272 A N 0.532 122.947 122.820 -0.675 0.000 1.877 272 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 272 A C 2.518 179.930 177.584 -0.287 0.000 1.186 272 A CA 1.775 53.455 52.037 -0.596 0.000 0.620 272 A CB -0.846 17.760 19.000 -0.657 0.000 0.822 272 A HN 0.514 nan 8.150 nan 0.000 0.443 273 I N -0.281 120.160 120.570 -0.215 0.000 2.361 273 I HA -0.245 3.924 4.170 -0.001 0.000 0.251 273 I C 2.196 178.182 176.117 -0.219 0.000 1.133 273 I CA 1.018 62.119 61.300 -0.332 0.000 1.413 273 I CB -0.344 37.325 38.000 -0.551 0.000 1.073 273 I HN 0.317 nan 8.210 nan 0.000 0.424 274 I N 0.878 121.429 120.570 -0.030 0.000 2.208 274 I HA -0.309 3.861 4.170 -0.001 0.000 0.245 274 I C 1.960 178.050 176.117 -0.045 0.000 1.097 274 I CA 1.416 62.743 61.300 0.045 0.000 1.363 274 I CB -0.486 37.484 38.000 -0.049 0.000 1.051 274 I HN 0.332 nan 8.210 nan 0.000 0.413 275 N N 0.601 119.224 118.700 -0.129 0.000 2.571 275 N HA -0.002 4.738 4.740 -0.001 0.000 0.189 275 N C 1.660 177.227 175.510 0.094 0.000 1.154 275 N CA 0.946 53.957 53.050 -0.065 0.000 0.907 275 N CB 0.355 38.778 38.487 -0.107 0.000 0.977 275 N HN 0.457 nan 8.380 nan 0.000 0.449 276 I N 0.164 120.754 120.570 0.033 0.000 2.927 276 I HA -0.067 4.102 4.170 -0.001 0.000 0.268 276 I C 2.362 178.558 176.117 0.131 0.000 1.153 276 I CA 0.341 61.673 61.300 0.053 0.000 1.459 276 I CB 0.044 37.935 38.000 -0.181 0.000 1.149 276 I HN 0.031 nan 8.210 nan 0.000 0.443 277 E N 0.663 120.908 120.200 0.076 0.000 2.072 277 E HA -0.141 4.209 4.350 -0.001 0.000 0.191 277 E C 0.871 177.670 176.600 0.332 0.000 0.985 277 E CA 0.861 57.343 56.400 0.136 0.000 0.801 277 E CB 0.371 30.140 29.700 0.115 0.000 0.750 277 E HN 0.251 nan 8.360 nan 0.000 0.452 278 S N -0.869 115.029 115.700 0.331 0.000 2.579 278 S HA 0.200 4.670 4.470 -0.001 0.000 0.272 278 S C -0.704 173.785 174.600 -0.184 0.000 1.141 278 S CA -0.597 57.785 58.200 0.305 0.000 0.843 278 S CB 1.205 64.529 63.200 0.207 0.000 1.122 278 S HN 0.353 nan 8.310 nan 0.000 0.468 279 N N 1.394 119.678 118.700 -0.693 0.000 2.273 279 N HA 0.205 4.944 4.740 -0.001 0.000 0.231 279 N C 0.497 175.729 175.510 -0.465 0.000 1.134 279 N CA -0.055 52.469 53.050 -0.878 0.000 0.856 279 N CB -0.120 37.460 38.487 -1.511 0.000 1.068 279 N HN 0.600 nan 8.380 nan 0.000 0.510 280 G N 0.849 109.408 108.800 -0.401 0.000 2.432 280 G HA2 0.116 4.075 3.960 -0.001 0.000 0.239 280 G HA3 0.116 4.075 3.960 -0.001 0.000 0.239 280 G C 0.357 175.105 174.900 -0.254 0.000 1.291 280 G CA -0.284 44.590 45.100 -0.377 0.000 0.863 280 G HN 0.634 nan 8.290 nan 0.000 0.560 281 H N -0.421 118.555 119.070 -0.157 0.000 2.748 281 H HA 0.451 5.007 4.556 -0.001 0.000 0.288 281 H C 0.650 175.807 175.328 -0.284 0.000 1.539 281 H CA -0.156 55.798 56.048 -0.157 0.000 1.577 281 H CB 0.371 30.083 29.762 -0.084 0.000 1.721 281 H HN 0.505 nan 8.280 nan 0.000 0.869 282 S N -0.290 115.442 115.700 0.053 0.000 3.698 282 S HA -0.133 4.336 4.470 -0.001 0.000 0.338 282 S C -0.003 174.553 174.600 -0.072 0.000 1.089 282 S CA 0.310 58.434 58.200 -0.126 0.000 0.991 282 S CB -1.427 61.358 63.200 -0.693 0.000 0.909 282 S HN 0.428 nan 8.310 nan 0.000 0.485 283 I N 2.643 123.225 120.570 0.020 0.000 2.329 283 I HA 0.182 4.351 4.170 -0.001 0.000 0.295 283 I C 0.688 176.956 176.117 0.253 0.000 1.109 283 I CA 0.370 61.713 61.300 0.071 0.000 1.297 283 I CB 0.127 38.083 38.000 -0.073 0.000 1.433 283 I HN 0.139 nan 8.210 nan 0.000 0.509 284 S N 9.317 125.165 115.700 0.246 0.000 2.433 284 S HA 0.333 4.802 4.470 -0.001 0.000 0.310 284 S C -1.566 173.255 174.600 0.370 0.000 1.097 284 S CA -1.055 57.300 58.200 0.258 0.000 1.103 284 S CB 1.677 64.965 63.200 0.147 0.000 0.992 284 S HN 0.371 nan 8.310 nan 0.000 0.469 285 P HA -0.092 nan 4.420 nan 0.000 0.219 285 P C 1.043 178.538 177.300 0.325 0.000 1.146 285 P CA 1.563 64.805 63.100 0.236 0.000 0.808 285 P CB 0.004 31.769 31.700 0.109 0.000 0.779 286 A N -0.371 122.579 122.820 0.216 0.000 5.382 286 A HA -0.316 4.004 4.320 -0.001 0.000 0.307 286 A C 0.603 178.260 177.584 0.123 0.000 1.937 286 A CA 1.432 53.572 52.037 0.173 0.000 0.715 286 A CB -1.895 17.251 19.000 0.245 0.000 1.293 286 A HN 0.213 nan 8.150 nan 0.000 0.374 287 R N -0.122 120.455 120.500 0.129 0.000 4.886 287 R HA 0.249 4.588 4.340 -0.001 0.000 0.181 287 R C 0.896 177.006 176.300 -0.318 0.000 1.989 287 R CA 0.555 56.642 56.100 -0.022 0.000 1.623 287 R CB -0.786 29.509 30.300 -0.008 0.000 1.383 287 R HN 0.585 nan 8.270 nan 0.000 0.847 288 F N 2.934 122.554 119.950 -0.550 0.000 2.120 288 F HA -0.312 4.215 4.527 -0.001 0.000 0.300 288 F C 2.121 177.495 175.800 -0.710 0.000 1.095 288 F CA 2.345 59.769 58.000 -0.960 0.000 1.249 288 F CB 0.086 38.813 39.000 -0.455 0.000 0.995 288 F HN 0.351 nan 8.300 nan 0.000 0.480 289 D N -0.769 119.511 120.400 -0.200 0.000 2.218 289 D HA -0.198 4.442 4.640 -0.001 0.000 0.204 289 D C 1.651 177.844 176.300 -0.177 0.000 0.976 289 D CA 1.101 55.011 54.000 -0.150 0.000 0.853 289 D CB -0.709 40.049 40.800 -0.069 0.000 0.939 289 D HN 0.360 nan 8.370 nan 0.000 0.481 290 Q N -0.070 119.597 119.800 -0.221 0.000 2.096 290 Q HA -0.084 4.255 4.340 -0.001 0.000 0.197 290 Q C 2.222 178.235 176.000 0.022 0.000 0.964 290 Q CA 1.061 56.816 55.803 -0.081 0.000 0.838 290 Q CB -0.634 28.078 28.738 -0.043 0.000 0.906 290 Q HN 0.690 nan 8.270 nan 0.000 0.444 291 Y N -2.592 117.730 120.300 0.036 0.000 2.523 291 Y HA 0.235 4.785 4.550 -0.001 0.000 0.279 291 Y C 1.737 177.699 175.900 0.103 0.000 1.139 291 Y CA 0.153 58.304 58.100 0.084 0.000 1.296 291 Y CB -0.168 38.356 38.460 0.108 0.000 1.045 291 Y HN -0.124 nan 8.280 nan 0.000 0.538 292 M N -0.924 118.614 119.600 -0.105 0.000 2.486 292 M HA 0.019 4.498 4.480 -0.001 0.000 0.264 292 M C 1.635 178.097 176.300 0.270 0.000 1.125 292 M CA 0.461 55.749 55.300 -0.020 0.000 1.144 292 M CB -1.132 31.054 32.600 -0.690 0.000 1.353 292 M HN 0.450 nan 8.290 nan 0.000 0.466 293 Y N 2.488 122.827 120.300 0.065 0.000 2.165 293 Y HA -0.148 4.401 4.550 -0.001 0.000 0.286 293 Y C -0.847 175.158 175.900 0.175 0.000 1.155 293 Y CA 1.974 60.150 58.100 0.127 0.000 1.164 293 Y CB -1.713 36.770 38.460 0.039 0.000 0.978 293 Y HN 0.144 nan 8.280 nan 0.000 0.513 294 P HA -0.200 nan 4.420 nan 0.000 0.216 294 P C 1.015 178.144 177.300 -0.285 0.000 1.150 294 P CA 2.112 65.063 63.100 -0.247 0.000 0.843 294 P CB -0.300 31.265 31.700 -0.224 0.000 0.787 295 Y N -2.905 117.430 120.300 0.058 0.000 2.314 295 Y HA -0.161 4.388 4.550 -0.002 0.000 0.293 295 Y C 2.538 178.547 175.900 0.181 0.000 1.129 295 Y CA 1.041 59.230 58.100 0.148 0.000 1.201 295 Y CB -1.195 37.403 38.460 0.230 0.000 0.999 295 Y HN -0.010 nan 8.280 nan 0.000 0.541 296 Y N 1.186 121.576 120.300 0.149 0.000 2.184 296 Y HA -0.183 4.367 4.550 -0.001 0.000 0.290 296 Y C 2.334 178.063 175.900 -0.286 0.000 1.129 296 Y CA 1.803 59.752 58.100 -0.252 0.000 1.144 296 Y CB -0.331 37.823 38.460 -0.510 0.000 0.995 296 Y HN 0.088 nan 8.280 nan 0.000 0.513 297 E N 0.578 120.422 120.200 -0.594 0.000 2.077 297 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 297 E C 1.532 177.890 176.600 -0.403 0.000 0.989 297 E CA 1.779 57.796 56.400 -0.638 0.000 0.800 297 E CB -0.372 28.895 29.700 -0.721 0.000 0.746 297 E HN 0.478 nan 8.360 nan 0.000 0.452 298 N N 0.922 119.451 118.700 -0.284 0.000 2.467 298 N HA -0.074 4.665 4.740 -0.001 0.000 0.184 298 N C -0.353 175.087 175.510 -0.116 0.000 1.106 298 N CA 0.409 53.355 53.050 -0.173 0.000 0.892 298 N CB 0.007 38.408 38.487 -0.144 0.000 0.969 298 N HN 0.160 nan 8.380 nan 0.000 0.454 299 D N 1.110 121.428 120.400 -0.137 0.000 2.422 299 D HA 0.093 4.733 4.640 -0.001 0.000 0.227 299 D C 0.256 176.487 176.300 -0.115 0.000 1.190 299 D CA -0.083 53.884 54.000 -0.056 0.000 0.905 299 D CB 0.525 41.341 40.800 0.026 0.000 1.034 299 D HN 0.024 nan 8.370 nan 0.000 0.507 300 K N 2.131 122.492 120.400 -0.066 0.000 2.487 300 K HA 0.093 4.412 4.320 -0.001 0.000 0.192 300 K C 0.914 177.496 176.600 -0.031 0.000 1.027 300 K CA 0.134 56.382 56.287 -0.065 0.000 1.054 300 K CB 0.594 33.067 32.500 -0.046 0.000 0.824 300 K HN 0.270 nan 8.250 nan 0.000 0.510 301 N N 0.280 118.980 118.700 0.001 0.000 2.460 301 N HA 0.060 4.799 4.740 -0.001 0.000 0.193 301 N C 0.437 175.978 175.510 0.052 0.000 1.080 301 N CA -0.072 52.995 53.050 0.028 0.000 0.869 301 N CB 0.795 39.313 38.487 0.051 0.000 1.201 301 N HN 0.111 nan 8.380 nan 0.000 0.457 302 I N 2.867 123.484 120.570 0.078 0.000 2.692 302 I HA -0.026 4.143 4.170 -0.001 0.000 0.284 302 I C 0.452 176.628 176.117 0.098 0.000 1.159 302 I CA 0.061 61.450 61.300 0.149 0.000 1.423 302 I CB 0.753 38.882 38.000 0.216 0.000 1.380 302 I HN 0.099 nan 8.210 nan 0.000 0.580 303 T N 2.017 116.662 114.554 0.153 0.000 2.918 303 T HA 0.232 4.581 4.350 -0.001 0.000 0.283 303 T C 0.731 175.524 174.700 0.156 0.000 1.001 303 T CA -0.786 61.387 62.100 0.121 0.000 1.041 303 T CB 1.391 70.324 68.868 0.107 0.000 1.028 303 T HN 0.559 nan 8.240 nan 0.000 0.511 304 D N 0.401 120.879 120.400 0.131 0.000 2.144 304 D HA -0.101 4.538 4.640 -0.001 0.000 0.199 304 D C 1.814 178.169 176.300 0.092 0.000 0.984 304 D CA 1.182 55.257 54.000 0.125 0.000 0.834 304 D CB -0.063 40.795 40.800 0.098 0.000 0.955 304 D HN 0.729 nan 8.370 nan 0.000 0.465 305 K N -0.332 120.134 120.400 0.109 0.000 2.057 305 K HA -0.161 4.159 4.320 -0.001 0.000 0.207 305 K C 2.014 178.713 176.600 0.165 0.000 1.049 305 K CA 0.764 57.119 56.287 0.114 0.000 0.931 305 K CB -0.164 32.398 32.500 0.103 0.000 0.714 305 K HN 0.006 nan 8.250 nan 0.000 0.440 306 F N 1.056 121.023 119.950 0.029 0.000 2.234 306 F HA 0.076 4.603 4.527 -0.001 0.000 0.296 306 F C 1.955 177.785 175.800 0.051 0.000 1.089 306 F CA 0.835 58.850 58.000 0.025 0.000 1.343 306 F CB -0.514 38.504 39.000 0.031 0.000 1.040 306 F HN 0.069 nan 8.300 nan 0.000 0.498 307 A N -0.188 122.646 122.820 0.023 0.000 1.902 307 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 307 A C 2.119 179.682 177.584 -0.035 0.000 1.181 307 A CA 1.844 53.860 52.037 -0.034 0.000 0.623 307 A CB -0.931 17.979 19.000 -0.150 0.000 0.818 307 A HN 0.468 nan 8.150 nan 0.000 0.443 308 Q N -0.021 119.749 119.800 -0.051 0.000 2.119 308 Q HA -0.167 4.173 4.340 -0.001 0.000 0.201 308 Q C 1.912 177.874 176.000 -0.063 0.000 0.972 308 Q CA 2.143 57.909 55.803 -0.062 0.000 0.847 308 Q CB -0.331 28.402 28.738 -0.010 0.000 0.903 308 Q HN 0.767 nan 8.270 nan 0.000 0.433 309 E N -0.632 119.528 120.200 -0.067 0.000 2.106 309 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 309 E C 1.798 178.285 176.600 -0.189 0.000 0.984 309 E CA 0.953 57.301 56.400 -0.088 0.000 0.806 309 E CB -0.099 29.589 29.700 -0.021 0.000 0.750 309 E HN 0.452 nan 8.360 nan 0.000 0.458 310 L N 0.548 121.576 121.223 -0.324 0.000 2.056 310 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 310 L C 2.481 179.270 176.870 -0.135 0.000 1.078 310 L CA 0.821 55.460 54.840 -0.336 0.000 0.749 310 L CB -0.279 41.504 42.059 -0.460 0.000 0.901 310 L HN 0.255 nan 8.230 nan 0.000 0.433 311 I N -0.209 120.325 120.570 -0.059 0.000 2.252 311 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 311 I C 2.039 178.069 176.117 -0.145 0.000 1.102 311 I CA 1.100 62.366 61.300 -0.056 0.000 1.385 311 I CB -0.401 37.518 38.000 -0.135 0.000 1.064 311 I HN 0.273 nan 8.210 nan 0.000 0.414 312 D N 0.535 120.828 120.400 -0.179 0.000 2.144 312 D HA -0.166 4.473 4.640 -0.001 0.000 0.199 312 D C 2.271 178.559 176.300 -0.021 0.000 0.984 312 D CA 1.223 55.145 54.000 -0.129 0.000 0.834 312 D CB -0.439 40.326 40.800 -0.059 0.000 0.955 312 D HN 0.369 nan 8.370 nan 0.000 0.465 313 C N 0.452 119.715 119.300 -0.062 0.000 2.425 313 C HA -0.033 4.427 4.460 -0.001 0.000 0.277 313 C C 2.856 177.781 174.990 -0.108 0.000 1.280 313 C CA -0.064 58.901 59.018 -0.088 0.000 1.744 313 C CB -0.895 26.770 27.740 -0.125 0.000 1.989 313 C HN 0.340 nan 8.230 nan 0.000 0.491 314 I N -0.906 119.643 120.570 -0.035 0.000 2.226 314 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 314 I C 2.695 178.827 176.117 0.025 0.000 1.100 314 I CA 1.582 62.867 61.300 -0.024 0.000 1.374 314 I CB -0.415 37.671 38.000 0.143 0.000 1.057 314 I HN 0.582 nan 8.210 nan 0.000 0.413 315 W N 1.181 122.353 121.300 -0.213 0.000 2.335 315 W HA -0.234 4.425 4.660 -0.001 0.000 0.311 315 W C 2.505 178.927 176.519 -0.163 0.000 1.213 315 W CA 1.120 58.358 57.345 -0.180 0.000 1.274 315 W CB -0.198 29.175 29.460 -0.146 0.000 1.148 315 W HN 0.122 nan 8.180 nan 0.000 0.498 316 I N 0.323 120.930 120.570 0.060 0.000 2.226 316 I HA -0.336 3.833 4.170 -0.001 0.000 0.245 316 I C 2.369 178.393 176.117 -0.154 0.000 1.100 316 I CA 1.143 62.420 61.300 -0.038 0.000 1.374 316 I CB -0.578 37.394 38.000 -0.046 0.000 1.057 316 I HN -0.185 nan 8.210 nan 0.000 0.413 317 K N 0.918 121.115 120.400 -0.339 0.000 2.097 317 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 317 K C 2.027 178.386 176.600 -0.401 0.000 1.049 317 K CA 1.305 57.201 56.287 -0.652 0.000 0.933 317 K CB -0.636 30.910 32.500 -1.590 0.000 0.717 317 K HN 0.356 nan 8.250 nan 0.000 0.442 318 L N 1.338 122.423 121.223 -0.231 0.000 2.353 318 L HA -0.123 4.216 4.340 -0.001 0.000 0.220 318 L C 1.581 178.476 176.870 0.042 0.000 1.133 318 L CA 0.734 55.600 54.840 0.043 0.000 0.798 318 L CB -0.265 41.725 42.059 -0.115 0.000 0.922 318 L HN 0.198 nan 8.230 nan 0.000 0.445 319 N N -0.849 117.841 118.700 -0.017 0.000 2.280 319 N HA -0.090 4.650 4.740 -0.001 0.000 0.192 319 N C 0.956 176.481 175.510 0.025 0.000 1.109 319 N CA 0.354 53.404 53.050 0.001 0.000 0.855 319 N CB 0.367 38.846 38.487 -0.014 0.000 0.974 319 N HN 0.257 nan 8.380 nan 0.000 0.482 320 D N 0.777 121.209 120.400 0.053 0.000 2.249 320 D HA 0.115 4.754 4.640 -0.001 0.000 0.205 320 D C 0.575 176.957 176.300 0.137 0.000 0.962 320 D CA 0.214 54.263 54.000 0.081 0.000 0.860 320 D CB 0.394 41.249 40.800 0.092 0.000 0.955 320 D HN 0.147 nan 8.370 nan 0.000 0.505 321 I N 1.030 121.716 120.570 0.194 0.000 2.529 321 I HA 0.135 4.304 4.170 -0.001 0.000 0.284 321 I C 0.495 176.690 176.117 0.130 0.000 1.082 321 I CA -0.223 61.191 61.300 0.190 0.000 1.406 321 I CB 0.718 38.855 38.000 0.229 0.000 1.405 321 I HN -0.056 nan 8.210 nan 0.000 0.548 322 N N 5.276 124.061 118.700 0.143 0.000 2.647 322 N HA 0.476 5.216 4.740 -0.001 0.000 0.266 322 N C -1.561 174.065 175.510 0.192 0.000 1.373 322 N CA -0.790 52.358 53.050 0.164 0.000 0.807 322 N CB 2.607 41.193 38.487 0.165 0.000 1.513 322 N HN 0.554 nan 8.380 nan 0.000 0.505 323 K N 1.431 121.969 120.400 0.230 0.000 2.656 323 K HA 0.306 4.625 4.320 -0.001 0.000 0.253 323 K C -1.615 175.037 176.600 0.088 0.000 1.002 323 K CA -0.562 55.805 56.287 0.134 0.000 0.880 323 K CB 1.561 34.094 32.500 0.055 0.000 1.232 323 K HN 0.269 nan 8.250 nan 0.000 0.456 324 V N 4.999 124.832 119.914 -0.136 0.000 2.614 324 V HA 0.458 4.578 4.120 -0.001 0.000 0.291 324 V C -0.606 175.425 176.094 -0.105 0.000 1.049 324 V CA 0.154 62.196 62.300 -0.430 0.000 1.038 324 V CB 0.681 32.083 31.823 -0.701 0.000 0.980 324 V HN 0.824 nan 8.190 nan 0.000 0.481 325 R N 4.296 124.671 120.500 -0.209 0.000 2.867 325 R HA 0.430 4.769 4.340 -0.001 0.000 0.268 325 R C -0.853 174.954 176.300 -0.822 0.000 1.014 325 R CA -0.824 54.957 56.100 -0.531 0.000 0.946 325 R CB 1.443 31.574 30.300 -0.283 0.000 1.208 325 R HN 0.898 nan 8.270 nan 0.000 0.477 326 D N 1.031 120.559 120.400 -1.453 0.000 2.362 326 D HA -0.103 4.536 4.640 -0.001 0.000 0.238 326 D C 0.511 176.549 176.300 -0.437 0.000 1.212 326 D CA -0.011 53.426 54.000 -0.939 0.000 0.902 326 D CB 0.822 41.001 40.800 -1.036 0.000 1.180 326 D HN 0.721 nan 8.370 nan 0.000 0.445 327 E N 0.191 120.261 120.200 -0.216 0.000 2.160 327 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 327 E C 1.818 178.253 176.600 -0.275 0.000 0.991 327 E CA 0.729 57.028 56.400 -0.169 0.000 0.810 327 E CB -0.128 29.528 29.700 -0.074 0.000 0.742 327 E HN 0.411 nan 8.360 nan 0.000 0.466 328 I N 1.748 122.104 120.570 -0.356 0.000 2.277 328 I HA -0.129 4.040 4.170 -0.001 0.000 0.243 328 I C 2.341 177.992 176.117 -0.777 0.000 1.094 328 I CA 0.907 61.910 61.300 -0.495 0.000 1.393 328 I CB -1.186 36.600 38.000 -0.356 0.000 1.078 328 I HN 0.079 nan 8.210 nan 0.000 0.417 329 S N 0.679 115.939 115.700 -0.734 0.000 2.419 329 S HA -0.149 4.320 4.470 -0.001 0.000 0.235 329 S C 1.945 176.279 174.600 -0.443 0.000 1.019 329 S CA 1.599 59.333 58.200 -0.777 0.000 0.982 329 S CB -0.425 62.550 63.200 -0.376 0.000 0.789 329 S HN 0.482 nan 8.310 nan 0.000 0.490 330 T N 2.116 116.474 114.554 -0.327 0.000 2.929 330 T HA -0.045 4.304 4.350 -0.001 0.000 0.271 330 T C 1.597 176.191 174.700 -0.176 0.000 1.085 330 T CA 0.993 63.005 62.100 -0.146 0.000 1.125 330 T CB -0.146 68.654 68.868 -0.113 0.000 0.874 330 T HN 0.464 nan 8.240 nan 0.000 0.494 331 K N 0.205 120.407 120.400 -0.330 0.000 2.217 331 K HA -0.009 4.311 4.320 -0.001 0.000 0.202 331 K C 1.955 178.429 176.600 -0.210 0.000 1.051 331 K CA 0.938 57.060 56.287 -0.275 0.000 0.952 331 K CB -0.108 32.122 32.500 -0.450 0.000 0.736 331 K HN 0.618 nan 8.250 nan 0.000 0.453 332 H N -1.182 117.581 119.070 -0.513 0.000 2.470 332 H HA 0.025 4.581 4.556 -0.001 0.000 0.289 332 H C -0.009 174.787 175.328 -0.886 0.000 1.033 332 H CA 0.254 55.789 56.048 -0.855 0.000 1.331 332 H CB 0.248 29.297 29.762 -1.189 0.000 1.414 332 H HN 0.042 nan 8.280 nan 0.000 0.545 333 F N 1.122 121.101 119.950 0.049 0.000 2.622 333 F HA 0.341 4.868 4.527 -0.001 0.000 0.338 333 F C 0.689 176.500 175.800 0.018 0.000 1.334 333 F CA -0.859 57.187 58.000 0.076 0.000 1.179 333 F CB 0.935 39.986 39.000 0.085 0.000 1.471 333 F HN -0.027 nan 8.300 nan 0.000 0.576 334 G N -0.336 108.560 108.800 0.160 0.000 2.476 334 G HA2 0.444 4.403 3.960 -0.001 0.000 0.269 334 G HA3 0.444 4.403 3.960 -0.001 0.000 0.269 334 G C 0.758 175.719 174.900 0.102 0.000 1.195 334 G CA -0.004 45.140 45.100 0.073 0.000 0.843 334 G HN 1.057 nan 8.290 nan 0.000 0.545 335 G N 0.158 108.912 108.800 -0.077 0.000 2.164 335 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.212 335 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.212 335 G C 0.392 175.290 174.900 -0.003 0.000 1.031 335 G CA 0.210 45.258 45.100 -0.088 0.000 0.730 335 G HN 1.573 nan 8.290 nan 0.000 0.501 336 Y N -2.277 118.041 120.300 0.030 0.000 3.305 336 Y HA -0.219 4.330 4.550 -0.001 0.000 0.212 336 Y C -1.066 174.790 175.900 -0.072 0.000 1.248 336 Y CA 0.257 58.366 58.100 0.015 0.000 1.359 336 Y CB -1.560 36.891 38.460 -0.015 0.000 1.407 336 Y HN 0.533 nan 8.280 nan 0.000 0.572 337 P HA 0.123 nan 4.420 nan 0.000 0.284 337 P C 0.315 177.300 177.300 -0.525 0.000 1.253 337 P CA -0.201 62.593 63.100 -0.509 0.000 0.800 337 P CB 1.405 32.386 31.700 -1.199 0.000 0.961 338 M N 1.004 120.336 119.600 -0.446 0.000 2.304 338 M HA 0.103 4.583 4.480 -0.001 0.000 0.281 338 M C 0.001 176.275 176.300 -0.044 0.000 1.014 338 M CA -0.248 54.953 55.300 -0.164 0.000 1.054 338 M CB -0.981 31.612 32.600 -0.012 0.000 1.551 338 M HN 0.302 nan 8.290 nan 0.000 0.548 339 Y N 0.772 120.991 120.300 -0.135 0.000 3.168 339 Y HA -0.262 4.288 4.550 -0.001 0.000 0.207 339 Y C -0.112 175.770 175.900 -0.030 0.000 1.280 339 Y CA 0.117 58.162 58.100 -0.092 0.000 1.235 339 Y CB -2.836 35.541 38.460 -0.137 0.000 1.370 339 Y HN 0.364 nan 8.280 nan 0.000 0.537 340 Q N 1.055 120.903 119.800 0.081 0.000 2.472 340 Q HA 0.139 4.479 4.340 -0.001 0.000 0.227 340 Q C 0.311 176.327 176.000 0.026 0.000 1.156 340 Q CA -0.422 55.435 55.803 0.089 0.000 0.924 340 Q CB 0.423 29.221 28.738 0.099 0.000 1.354 340 Q HN 0.285 nan 8.270 nan 0.000 0.525 341 N N 2.978 121.710 118.700 0.054 0.000 2.470 341 N HA 0.221 4.960 4.740 -0.001 0.000 0.268 341 N C -1.414 174.092 175.510 -0.006 0.000 1.136 341 N CA 0.038 53.102 53.050 0.024 0.000 0.961 341 N CB 0.751 39.258 38.487 0.033 0.000 1.067 341 N HN 0.500 nan 8.380 nan 0.000 0.468 342 L N 5.054 126.241 121.223 -0.061 0.000 2.376 342 L HA 0.584 4.924 4.340 -0.001 0.000 0.275 342 L C -0.979 175.876 176.870 -0.024 0.000 0.987 342 L CA -0.642 54.147 54.840 -0.085 0.000 0.828 342 L CB 1.407 43.294 42.059 -0.286 0.000 1.249 342 L HN 0.498 nan 8.230 nan 0.000 0.409 343 I N 5.481 126.052 120.570 0.001 0.000 2.603 343 I HA 0.691 4.861 4.170 -0.001 0.000 0.300 343 I C -0.926 175.205 176.117 0.025 0.000 1.017 343 I CA -0.700 60.610 61.300 0.018 0.000 1.098 343 I CB 2.100 40.076 38.000 -0.040 0.000 1.279 343 I HN 0.491 nan 8.210 nan 0.000 0.437 344 V N 3.550 123.507 119.914 0.071 0.000 3.040 344 V HA 1.061 5.180 4.120 -0.001 0.000 0.312 344 V C 0.020 176.159 176.094 0.075 0.000 1.115 344 V CA 0.189 62.522 62.300 0.056 0.000 0.998 344 V CB 0.780 32.665 31.823 0.103 0.000 1.042 344 V HN 1.304 nan 8.190 nan 0.000 0.433 345 G N 0.281 108.994 108.800 -0.145 0.000 2.725 345 G HA2 0.497 4.456 3.960 -0.001 0.000 0.220 345 G HA3 0.497 4.456 3.960 -0.001 0.000 0.220 345 G C 0.761 175.539 174.900 -0.205 0.000 1.357 345 G CA 0.224 45.104 45.100 -0.367 0.000 0.866 345 G HN 3.247 nan 8.290 nan 0.000 0.548 346 G N -1.633 107.079 108.800 -0.146 0.000 2.526 346 G HA2 0.516 4.476 3.960 -0.001 0.000 0.250 346 G HA3 0.516 4.476 3.960 -0.001 0.000 0.250 346 G C -0.155 174.519 174.900 -0.376 0.000 1.289 346 G CA 0.829 45.813 45.100 -0.193 0.000 0.947 346 G HN 2.301 nan 8.290 nan 0.000 0.517 347 Q N -0.303 119.126 119.800 -0.618 0.000 2.306 347 Q HA 0.720 5.059 4.340 -0.001 0.000 0.269 347 Q C 0.286 176.060 176.000 -0.378 0.000 1.053 347 Q CA -0.622 54.782 55.803 -0.665 0.000 0.879 347 Q CB 1.653 29.649 28.738 -1.237 0.000 1.344 347 Q HN 0.907 nan 8.270 nan 0.000 0.464 348 N N -0.388 118.149 118.700 -0.273 0.000 2.566 348 N HA 0.176 4.915 4.740 -0.001 0.000 0.299 348 N C 0.153 175.582 175.510 -0.135 0.000 1.277 348 N CA -0.588 52.365 53.050 -0.160 0.000 0.965 348 N CB 0.305 38.734 38.487 -0.096 0.000 1.142 348 N HN 0.531 nan 8.380 nan 0.000 0.596 349 S N -1.062 114.595 115.700 -0.070 0.000 2.419 349 S HA -0.159 4.310 4.470 -0.001 0.000 0.233 349 S C 0.951 175.529 174.600 -0.038 0.000 1.016 349 S CA 1.245 59.420 58.200 -0.040 0.000 0.974 349 S CB -0.597 62.600 63.200 -0.005 0.000 0.786 349 S HN 0.793 nan 8.310 nan 0.000 0.492 350 E N 0.378 120.554 120.200 -0.040 0.000 2.437 350 E HA 0.319 4.669 4.350 -0.001 0.000 0.189 350 E C 0.870 177.450 176.600 -0.034 0.000 1.054 350 E CA 0.375 56.762 56.400 -0.022 0.000 0.874 350 E CB -0.186 29.512 29.700 -0.002 0.000 1.011 350 E HN 0.331 nan 8.360 nan 0.000 0.474 351 G N 1.640 110.380 108.800 -0.100 0.000 2.182 351 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.248 351 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.248 351 G C -0.241 174.589 174.900 -0.117 0.000 1.042 351 G CA 0.368 45.374 45.100 -0.158 0.000 0.775 351 G HN 0.261 nan 8.290 nan 0.000 0.501 352 K N -0.277 120.064 120.400 -0.099 0.000 2.208 352 K HA 0.445 4.764 4.320 -0.001 0.000 0.247 352 K C -0.361 176.255 176.600 0.027 0.000 0.953 352 K CA -1.002 55.324 56.287 0.064 0.000 0.837 352 K CB 1.486 34.021 32.500 0.059 0.000 1.131 352 K HN 0.140 nan 8.250 nan 0.000 0.431 353 D N 0.399 120.981 120.400 0.303 0.000 2.443 353 D HA 0.066 4.705 4.640 -0.001 0.000 0.239 353 D C -0.087 176.224 176.300 0.019 0.000 1.136 353 D CA 0.359 54.526 54.000 0.278 0.000 0.879 353 D CB 0.822 41.824 40.800 0.335 0.000 1.195 353 D HN 0.566 nan 8.370 nan 0.000 0.443 354 A N 2.635 125.405 122.820 -0.083 0.000 2.564 354 A HA 0.208 4.528 4.320 -0.001 0.000 0.279 354 A C 0.510 177.952 177.584 -0.238 0.000 1.232 354 A CA -0.415 51.529 52.037 -0.155 0.000 0.950 354 A CB -0.042 18.853 19.000 -0.175 0.000 1.138 354 A HN 0.521 nan 8.150 nan 0.000 0.526 355 T N 2.634 117.025 114.554 -0.272 0.000 2.928 355 T HA 0.346 4.695 4.350 -0.001 0.000 0.305 355 T C 0.190 174.702 174.700 -0.314 0.000 1.035 355 T CA 0.590 62.446 62.100 -0.407 0.000 1.145 355 T CB 0.202 68.801 68.868 -0.449 0.000 0.963 355 T HN 0.828 nan 8.240 nan 0.000 0.545 356 N N 0.641 119.128 118.700 -0.354 0.000 2.972 356 N HA 0.387 5.127 4.740 -0.001 0.000 0.262 356 N C 0.461 175.866 175.510 -0.175 0.000 1.478 356 N CA -1.131 51.672 53.050 -0.412 0.000 0.841 356 N CB 0.749 38.644 38.487 -0.985 0.000 1.512 356 N HN 0.191 nan 8.380 nan 0.000 0.548 357 K N -0.339 120.000 120.400 -0.102 0.000 2.074 357 K HA -0.012 4.307 4.320 -0.001 0.000 0.209 357 K C 1.178 177.752 176.600 -0.044 0.000 1.048 357 K CA 1.795 58.113 56.287 0.052 0.000 0.926 357 K CB -0.811 31.754 32.500 0.107 0.000 0.713 357 K HN 0.439 nan 8.250 nan 0.000 0.444 358 V N 0.548 120.417 119.914 -0.073 0.000 2.626 358 V HA -0.208 3.911 4.120 -0.001 0.000 0.252 358 V C 2.080 178.162 176.094 -0.021 0.000 1.067 358 V CA 1.892 64.153 62.300 -0.066 0.000 1.081 358 V CB -0.496 31.344 31.823 0.029 0.000 0.686 358 V HN 0.321 nan 8.190 nan 0.000 0.468 359 S N -0.766 114.885 115.700 -0.080 0.000 2.359 359 S HA -0.237 4.232 4.470 -0.001 0.000 0.224 359 S C 1.848 176.404 174.600 -0.072 0.000 1.035 359 S CA 1.936 60.069 58.200 -0.111 0.000 1.018 359 S CB -0.480 62.526 63.200 -0.323 0.000 0.876 359 S HN 0.667 nan 8.310 nan 0.000 0.448 360 Y N 1.118 121.452 120.300 0.057 0.000 2.314 360 Y HA 0.085 4.634 4.550 -0.001 0.000 0.293 360 Y C 2.441 178.317 175.900 -0.041 0.000 1.129 360 Y CA 0.659 58.788 58.100 0.048 0.000 1.201 360 Y CB -0.374 38.102 38.460 0.027 0.000 0.999 360 Y HN 0.182 nan 8.280 nan 0.000 0.541 361 M N -0.879 118.737 119.600 0.028 0.000 2.296 361 M HA -0.148 4.331 4.480 -0.001 0.000 0.265 361 M C 2.415 178.571 176.300 -0.240 0.000 1.064 361 M CA 1.287 56.514 55.300 -0.122 0.000 1.109 361 M CB -0.286 32.209 32.600 -0.174 0.000 1.396 361 M HN 0.338 nan 8.290 nan 0.000 0.430 362 A N 0.715 123.450 122.820 -0.141 0.000 1.897 362 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 362 A C 2.069 179.570 177.584 -0.138 0.000 1.181 362 A CA 1.132 53.059 52.037 -0.183 0.000 0.620 362 A CB -0.744 18.345 19.000 0.148 0.000 0.821 362 A HN 0.435 nan 8.150 nan 0.000 0.443 363 L N -0.970 120.235 121.223 -0.030 0.000 2.046 363 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 363 L C 2.627 179.436 176.870 -0.102 0.000 1.077 363 L CA 1.732 56.572 54.840 0.000 0.000 0.747 363 L CB -0.490 41.628 42.059 0.099 0.000 0.896 363 L HN 0.421 nan 8.230 nan 0.000 0.432 364 E N 0.520 120.641 120.200 -0.132 0.000 2.077 364 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 364 E C 2.184 178.410 176.600 -0.624 0.000 0.989 364 E CA 1.410 57.642 56.400 -0.281 0.000 0.800 364 E CB -0.110 29.420 29.700 -0.283 0.000 0.746 364 E HN 0.374 nan 8.360 nan 0.000 0.452 365 A N 0.687 123.090 122.820 -0.695 0.000 1.940 365 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 365 A C 2.403 179.632 177.584 -0.592 0.000 1.176 365 A CA 2.007 53.510 52.037 -0.890 0.000 0.631 365 A CB -0.970 16.978 19.000 -1.754 0.000 0.814 365 A HN 0.376 nan 8.150 nan 0.000 0.446 366 A N -0.650 121.978 122.820 -0.319 0.000 1.933 366 A HA -0.001 4.319 4.320 -0.001 0.000 0.218 366 A C 2.140 179.645 177.584 -0.133 0.000 1.175 366 A CA 1.862 53.898 52.037 -0.002 0.000 0.628 366 A CB -0.706 18.327 19.000 0.054 0.000 0.814 366 A HN 0.450 nan 8.150 nan 0.000 0.444 367 V N -1.004 118.715 119.914 -0.325 0.000 2.788 367 V HA -0.172 3.948 4.120 -0.001 0.000 0.251 367 V C 2.127 178.170 176.094 -0.084 0.000 1.068 367 V CA 1.688 63.780 62.300 -0.348 0.000 1.090 367 V CB -1.111 30.226 31.823 -0.809 0.000 0.710 367 V HN 0.707 nan 8.190 nan 0.000 0.467 368 H N -0.626 118.328 119.070 -0.193 0.000 2.363 368 H HA -0.067 4.489 4.556 -0.001 0.000 0.301 368 H C 2.229 177.504 175.328 -0.088 0.000 1.074 368 H CA 1.457 57.428 56.048 -0.129 0.000 1.354 368 H CB 0.365 30.035 29.762 -0.154 0.000 1.397 368 H HN 0.292 nan 8.280 nan 0.000 0.516 369 V N 0.164 120.116 119.914 0.064 0.000 2.575 369 V HA -0.093 4.027 4.120 -0.001 0.000 0.242 369 V C 0.779 176.908 176.094 0.058 0.000 1.045 369 V CA 0.602 62.942 62.300 0.068 0.000 1.065 369 V CB -0.098 31.810 31.823 0.141 0.000 0.717 369 V HN 0.401 nan 8.190 nan 0.000 0.467 370 K N 0.251 120.683 120.400 0.054 0.000 3.148 370 K HA -0.200 4.119 4.320 -0.001 0.000 0.267 370 K C -0.437 176.193 176.600 0.049 0.000 0.996 370 K CA 0.235 56.544 56.287 0.035 0.000 0.737 370 K CB -1.575 30.930 32.500 0.009 0.000 1.308 370 K HN 0.373 nan 8.250 nan 0.000 0.470 371 L N -1.068 120.197 121.223 0.069 0.000 2.304 371 L HA 0.309 4.648 4.340 -0.001 0.000 0.268 371 L C -1.263 175.633 176.870 0.043 0.000 1.010 371 L CA -2.511 52.361 54.840 0.053 0.000 0.813 371 L CB 1.118 43.205 42.059 0.047 0.000 1.315 371 L HN -0.199 nan 8.230 nan 0.000 0.445 372 P HA -0.109 nan 4.420 nan 0.000 0.216 372 P C -0.354 176.947 177.300 0.001 0.000 1.150 372 P CA 1.178 64.300 63.100 0.037 0.000 0.837 372 P CB 0.237 31.972 31.700 0.060 0.000 0.786 373 Q N -0.710 119.065 119.800 -0.041 0.000 2.257 373 Q HA 0.362 4.701 4.340 -0.001 0.000 0.262 373 Q C -2.368 173.457 176.000 -0.291 0.000 0.997 373 Q CA -2.349 53.376 55.803 -0.130 0.000 0.873 373 Q CB 1.003 29.678 28.738 -0.105 0.000 1.312 373 Q HN 0.109 nan 8.270 nan 0.000 0.450 374 P HA 0.155 nan 4.420 nan 0.000 0.278 374 P C -0.623 176.536 177.300 -0.235 0.000 1.266 374 P CA -0.469 62.377 63.100 -0.423 0.000 0.807 374 P CB 0.679 31.959 31.700 -0.699 0.000 1.094 375 S N 0.787 116.421 115.700 -0.110 0.000 3.065 375 S HA 0.124 4.594 4.470 -0.001 0.000 0.311 375 S C 0.467 175.068 174.600 0.000 0.000 1.204 375 S CA -0.233 57.971 58.200 0.007 0.000 1.040 375 S CB -1.386 61.870 63.200 0.095 0.000 1.436 375 S HN 0.296 nan 8.310 nan 0.000 0.532 376 L N 3.903 125.120 121.223 -0.009 0.000 2.453 376 L HA 0.335 4.674 4.340 -0.001 0.000 0.272 376 L C 0.119 177.038 176.870 0.082 0.000 1.182 376 L CA 0.916 55.772 54.840 0.026 0.000 0.858 376 L CB 0.490 42.598 42.059 0.081 0.000 1.120 376 L HN 0.435 nan 8.230 nan 0.000 0.474 377 S N 2.878 118.640 115.700 0.103 0.000 2.627 377 S HA 0.854 5.324 4.470 -0.001 0.000 0.283 377 S C -1.121 173.566 174.600 0.144 0.000 1.127 377 S CA -0.347 57.967 58.200 0.190 0.000 0.863 377 S CB 2.079 65.490 63.200 0.352 0.000 1.121 377 S HN 0.742 nan 8.310 nan 0.000 0.479 378 V N -0.451 119.570 119.914 0.178 0.000 2.841 378 V HA 0.706 4.825 4.120 -0.001 0.000 0.310 378 V C -1.018 175.296 176.094 0.367 0.000 1.090 378 V CA -1.049 61.380 62.300 0.215 0.000 0.930 378 V CB 1.686 33.533 31.823 0.041 0.000 1.014 378 V HN 0.812 nan 8.190 nan 0.000 0.425 379 R N 3.587 124.295 120.500 0.346 0.000 2.428 379 R HA 0.740 5.079 4.340 -0.001 0.000 0.294 379 R C -1.040 175.536 176.300 0.460 0.000 1.000 379 R CA -0.686 55.616 56.100 0.337 0.000 0.960 379 R CB 1.565 31.911 30.300 0.076 0.000 1.076 379 R HN 0.662 nan 8.270 nan 0.000 0.475 380 I N 3.634 124.504 120.570 0.501 0.000 2.545 380 I HA 0.454 4.623 4.170 -0.001 0.000 0.292 380 I C -0.346 176.095 176.117 0.539 0.000 1.040 380 I CA -0.697 60.940 61.300 0.562 0.000 1.068 380 I CB 1.587 39.986 38.000 0.666 0.000 1.251 380 I HN 0.743 nan 8.210 nan 0.000 0.424 381 W N 5.358 126.775 121.300 0.195 0.000 3.039 381 W HA 0.439 5.099 4.660 0.000 0.000 0.354 381 W C 0.001 176.592 176.519 0.121 0.000 1.206 381 W CA -0.870 56.552 57.345 0.128 0.000 1.134 381 W CB 0.415 29.925 29.460 0.083 0.000 1.493 381 W HN 0.527 nan 8.180 nan 0.000 0.591 382 N N 0.257 118.971 118.700 0.023 0.000 2.192 382 N HA -0.202 4.538 4.740 -0.001 0.000 0.188 382 N C 0.972 176.130 175.510 -0.588 0.000 1.013 382 N CA 1.472 54.393 53.050 -0.214 0.000 0.863 382 N CB 0.015 38.456 38.487 -0.076 0.000 0.990 382 N HN 0.228 nan 8.380 nan 0.000 0.430 383 K N 0.678 120.203 120.400 -1.458 0.000 2.498 383 K HA 0.135 4.454 4.320 -0.001 0.000 0.207 383 K C -0.387 175.660 176.600 -0.922 0.000 1.033 383 K CA -0.088 55.448 56.287 -1.252 0.000 1.138 383 K CB 0.831 32.493 32.500 -1.395 0.000 0.860 383 K HN -0.018 nan 8.250 nan 0.000 0.490 384 T N 3.751 117.880 114.554 -0.709 0.000 2.902 384 T HA 0.058 4.407 4.350 -0.001 0.000 0.301 384 T C -2.365 172.320 174.700 -0.025 0.000 1.012 384 T CA -0.825 61.194 62.100 -0.134 0.000 1.151 384 T CB 0.428 69.382 68.868 0.145 0.000 0.946 384 T HN 0.010 nan 8.240 nan 0.000 0.542 385 P HA 0.115 nan 4.420 nan 0.000 0.268 385 P C 0.558 177.945 177.300 0.145 0.000 1.204 385 P CA -0.288 62.867 63.100 0.091 0.000 0.768 385 P CB 0.519 32.298 31.700 0.132 0.000 0.842 386 D N 2.443 122.892 120.400 0.080 0.000 2.123 386 D HA -0.193 4.447 4.640 -0.001 0.000 0.196 386 D C 1.684 178.047 176.300 0.104 0.000 0.992 386 D CA 1.317 55.359 54.000 0.069 0.000 0.833 386 D CB -0.158 40.657 40.800 0.024 0.000 0.954 386 D HN 0.591 nan 8.370 nan 0.000 0.455 387 E N 0.490 120.767 120.200 0.129 0.000 2.153 387 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 387 E C 2.131 178.899 176.600 0.279 0.000 0.988 387 E CA 0.619 57.106 56.400 0.147 0.000 0.811 387 E CB -0.811 28.958 29.700 0.116 0.000 0.746 387 E HN 0.324 nan 8.360 nan 0.000 0.466 388 F N 1.765 121.832 119.950 0.195 0.000 2.128 388 F HA -0.060 4.467 4.527 -0.001 0.000 0.295 388 F C 2.232 178.117 175.800 0.141 0.000 1.100 388 F CA 0.978 59.094 58.000 0.192 0.000 1.260 388 F CB -0.365 38.683 39.000 0.081 0.000 1.009 388 F HN 0.061 nan 8.300 nan 0.000 0.476 389 L N 0.408 121.687 121.223 0.092 0.000 2.083 389 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 389 L C 2.052 178.909 176.870 -0.022 0.000 1.083 389 L CA 1.746 56.589 54.840 0.005 0.000 0.752 389 L CB -0.963 41.148 42.059 0.087 0.000 0.899 389 L HN 0.253 nan 8.230 nan 0.000 0.433 390 L N -1.067 120.158 121.223 0.004 0.000 2.093 390 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 390 L C 2.706 179.565 176.870 -0.019 0.000 1.085 390 L CA 1.032 55.862 54.840 -0.018 0.000 0.755 390 L CB -0.458 41.592 42.059 -0.015 0.000 0.904 390 L HN 0.248 nan 8.230 nan 0.000 0.435 391 R N 0.643 121.144 120.500 0.002 0.000 2.092 391 R HA -0.087 4.253 4.340 -0.001 0.000 0.231 391 R C 2.199 178.505 176.300 0.011 0.000 1.119 391 R CA 1.560 57.675 56.100 0.025 0.000 0.970 391 R CB -0.572 29.830 30.300 0.170 0.000 0.864 391 R HN 0.300 nan 8.270 nan 0.000 0.440 392 A N 0.134 122.887 122.820 -0.113 0.000 1.902 392 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 392 A C 2.337 179.971 177.584 0.083 0.000 1.181 392 A CA 1.670 53.652 52.037 -0.091 0.000 0.623 392 A CB -0.987 17.895 19.000 -0.196 0.000 0.818 392 A HN 0.445 nan 8.150 nan 0.000 0.443 393 A N -0.253 122.608 122.820 0.069 0.000 1.933 393 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 393 A C 1.924 179.524 177.584 0.028 0.000 1.175 393 A CA 1.620 53.672 52.037 0.025 0.000 0.628 393 A CB -0.512 18.444 19.000 -0.073 0.000 0.814 393 A HN 0.632 nan 8.150 nan 0.000 0.444 394 E N -0.855 119.377 120.200 0.054 0.000 2.110 394 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 394 E C 1.939 178.697 176.600 0.264 0.000 0.988 394 E CA 1.249 57.718 56.400 0.114 0.000 0.804 394 E CB -0.239 29.487 29.700 0.043 0.000 0.745 394 E HN 0.530 nan 8.360 nan 0.000 0.458 395 L N 0.942 122.330 121.223 0.275 0.000 2.056 395 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 395 L C 2.217 179.131 176.870 0.074 0.000 1.078 395 L CA 1.890 56.819 54.840 0.149 0.000 0.749 395 L CB -0.768 41.330 42.059 0.065 0.000 0.901 395 L HN -0.011 nan 8.230 nan 0.000 0.433 396 T N -0.431 114.181 114.554 0.097 0.000 2.759 396 T HA -0.256 4.093 4.350 -0.001 0.000 0.269 396 T C 1.986 176.714 174.700 0.046 0.000 1.042 396 T CA 1.695 63.854 62.100 0.100 0.000 1.140 396 T CB -0.328 68.616 68.868 0.126 0.000 0.864 396 T HN 0.352 nan 8.240 nan 0.000 0.455 397 R N 0.892 121.409 120.500 0.027 0.000 2.193 397 R HA -0.070 4.269 4.340 -0.001 0.000 0.229 397 R C 1.975 178.290 176.300 0.025 0.000 1.110 397 R CA 0.930 57.034 56.100 0.007 0.000 0.988 397 R CB -0.013 30.290 30.300 0.004 0.000 0.871 397 R HN 0.264 nan 8.270 nan 0.000 0.458 398 E N -0.375 119.847 120.200 0.036 0.000 2.338 398 E HA -0.061 4.288 4.350 -0.001 0.000 0.197 398 E C 1.048 177.647 176.600 -0.001 0.000 1.007 398 E CA 1.055 57.460 56.400 0.009 0.000 0.849 398 E CB 0.044 29.712 29.700 -0.053 0.000 0.774 398 E HN 0.600 nan 8.360 nan 0.000 0.506 399 G N 1.114 109.921 108.800 0.011 0.000 2.160 399 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.244 399 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.244 399 G C 0.744 175.650 174.900 0.011 0.000 1.022 399 G CA 0.507 45.614 45.100 0.011 0.000 0.741 399 G HN 0.316 nan 8.290 nan 0.000 0.508 400 L N -0.435 120.798 121.223 0.015 0.000 2.567 400 L HA 0.421 4.760 4.340 -0.001 0.000 0.225 400 L C 2.251 179.142 176.870 0.034 0.000 1.119 400 L CA 0.728 55.578 54.840 0.017 0.000 0.871 400 L CB 0.051 42.114 42.059 0.006 0.000 1.036 400 L HN 0.997 nan 8.230 nan 0.000 0.459 401 G N 0.540 109.373 108.800 0.055 0.000 2.176 401 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.253 401 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.253 401 G C 0.134 175.088 174.900 0.091 0.000 0.979 401 G CA -0.086 45.058 45.100 0.073 0.000 0.641 401 G HN 0.207 nan 8.290 nan 0.000 0.530 402 L N 1.677 122.944 121.223 0.074 0.000 2.344 402 L HA 0.675 5.014 4.340 -0.001 0.000 0.272 402 L C -1.804 175.098 176.870 0.053 0.000 1.035 402 L CA -2.393 52.481 54.840 0.056 0.000 0.807 402 L CB 2.021 44.100 42.059 0.035 0.000 1.237 402 L HN -0.024 nan 8.230 nan 0.000 0.442 403 P HA 0.358 nan 4.420 nan 0.000 0.287 403 P C -1.434 175.767 177.300 -0.165 0.000 1.292 403 P CA -0.687 62.342 63.100 -0.119 0.000 0.879 403 P CB 1.761 33.320 31.700 -0.236 0.000 1.214 404 A N 0.866 123.672 122.820 -0.024 0.000 2.354 404 A HA 0.497 4.817 4.320 -0.001 0.000 0.269 404 A C -0.919 176.585 177.584 -0.133 0.000 1.109 404 A CA -0.173 51.889 52.037 0.041 0.000 0.800 404 A CB -0.379 18.808 19.000 0.312 0.000 1.045 404 A HN 0.432 nan 8.150 nan 0.000 0.489 405 Y N 0.466 120.679 120.300 -0.146 0.000 2.360 405 Y HA 0.534 5.084 4.550 -0.001 0.000 0.337 405 Y C -0.717 175.154 175.900 -0.048 0.000 1.039 405 Y CA 0.014 58.149 58.100 0.058 0.000 1.109 405 Y CB 1.335 39.865 38.460 0.117 0.000 1.201 405 Y HN 0.586 nan 8.280 nan 0.000 0.458 406 Y N 1.070 121.697 120.300 0.545 0.000 2.425 406 Y HA 0.299 4.849 4.550 -0.000 0.000 0.344 406 Y C -0.167 175.694 175.900 -0.066 0.000 0.969 406 Y CA -1.337 56.921 58.100 0.263 0.000 1.052 406 Y CB 1.553 40.164 38.460 0.253 0.000 1.215 406 Y HN 0.512 nan 8.280 nan 0.000 0.451 407 N N 2.278 120.606 118.700 -0.620 0.000 2.469 407 N HA 0.098 4.837 4.740 -0.001 0.000 0.239 407 N C 0.146 175.414 175.510 -0.403 0.000 1.053 407 N CA 0.054 52.565 53.050 -0.898 0.000 0.937 407 N CB 0.613 38.102 38.487 -1.664 0.000 1.163 407 N HN 0.633 nan 8.380 nan 0.000 0.509 408 D N 1.687 122.058 120.400 -0.048 0.000 2.149 408 D HA -0.156 4.483 4.640 -0.001 0.000 0.198 408 D C 1.102 177.371 176.300 -0.052 0.000 0.990 408 D CA 1.225 55.262 54.000 0.063 0.000 0.839 408 D CB 0.342 41.255 40.800 0.188 0.000 0.948 408 D HN 0.597 nan 8.370 nan 0.000 0.460 409 E N -0.078 120.099 120.200 -0.039 0.000 2.204 409 E HA -0.093 4.257 4.350 -0.001 0.000 0.195 409 E C 2.130 178.668 176.600 -0.103 0.000 0.990 409 E CA 0.404 56.796 56.400 -0.013 0.000 0.821 409 E CB 0.033 29.755 29.700 0.037 0.000 0.750 409 E HN 0.248 nan 8.360 nan 0.000 0.477 410 V N 0.582 120.304 119.914 -0.321 0.000 2.690 410 V HA -0.022 4.098 4.120 -0.001 0.000 0.240 410 V C 2.266 178.050 176.094 -0.517 0.000 1.078 410 V CA 0.379 62.354 62.300 -0.542 0.000 1.102 410 V CB -0.127 31.244 31.823 -0.753 0.000 0.800 410 V HN 0.105 nan 8.190 nan 0.000 0.479 411 I N 0.190 120.392 120.570 -0.613 0.000 2.179 411 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 411 I C 2.304 178.168 176.117 -0.421 0.000 1.088 411 I CA 1.897 62.803 61.300 -0.658 0.000 1.357 411 I CB -0.292 37.070 38.000 -1.065 0.000 1.051 411 I HN 0.239 nan 8.210 nan 0.000 0.409 412 I N 0.673 121.072 120.570 -0.286 0.000 2.127 412 I HA -0.212 3.957 4.170 -0.001 0.000 0.241 412 I C -0.341 175.748 176.117 -0.047 0.000 1.075 412 I CA 1.783 63.010 61.300 -0.121 0.000 1.334 412 I CB -1.708 36.278 38.000 -0.023 0.000 1.040 412 I HN 0.151 nan 8.210 nan 0.000 0.405 413 P HA -0.162 nan 4.420 nan 0.000 0.215 413 P C 1.499 178.877 177.300 0.131 0.000 1.153 413 P CA 1.827 64.995 63.100 0.113 0.000 0.853 413 P CB -0.040 31.811 31.700 0.251 0.000 0.788 414 A N -0.656 122.236 122.820 0.120 0.000 1.908 414 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 414 A C 2.217 179.818 177.584 0.027 0.000 1.181 414 A CA 1.506 53.619 52.037 0.127 0.000 0.627 414 A CB -1.670 17.370 19.000 0.066 0.000 0.818 414 A HN 0.116 nan 8.150 nan 0.000 0.445 415 L N -0.666 120.528 121.223 -0.049 0.000 2.056 415 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 415 L C 2.497 179.346 176.870 -0.034 0.000 1.078 415 L CA 0.964 55.753 54.840 -0.084 0.000 0.749 415 L CB -0.500 41.481 42.059 -0.131 0.000 0.901 415 L HN 0.245 nan 8.230 nan 0.000 0.433 416 V N -1.066 118.847 119.914 -0.003 0.000 2.490 416 V HA -0.283 3.837 4.120 -0.001 0.000 0.250 416 V C 2.668 178.790 176.094 0.047 0.000 1.061 416 V CA 1.922 64.237 62.300 0.025 0.000 1.064 416 V CB -0.348 31.497 31.823 0.036 0.000 0.670 416 V HN 0.453 nan 8.190 nan 0.000 0.461 417 S N -0.260 115.473 115.700 0.055 0.000 2.419 417 S HA -0.159 4.311 4.470 -0.001 0.000 0.233 417 S C 1.914 176.557 174.600 0.072 0.000 1.016 417 S CA 1.034 59.272 58.200 0.064 0.000 0.974 417 S CB -0.224 63.026 63.200 0.083 0.000 0.786 417 S HN 0.470 nan 8.310 nan 0.000 0.492 418 R N 0.007 120.548 120.500 0.069 0.000 2.310 418 R HA 0.215 4.555 4.340 -0.001 0.000 0.202 418 R C 1.555 177.983 176.300 0.213 0.000 0.933 418 R CA 0.741 56.917 56.100 0.126 0.000 1.054 418 R CB -0.193 30.121 30.300 0.023 0.000 0.985 418 R HN 0.571 nan 8.270 nan 0.000 0.489 419 G N 0.120 109.005 108.800 0.141 0.000 2.211 419 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.201 419 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.201 419 G C -0.139 174.861 174.900 0.166 0.000 0.997 419 G CA -0.570 44.631 45.100 0.168 0.000 0.652 419 G HN 0.122 nan 8.290 nan 0.000 0.500 420 L N 2.598 123.825 121.223 0.008 0.000 2.436 420 L HA 0.558 4.898 4.340 -0.001 0.000 0.265 420 L C 1.650 178.561 176.870 0.067 0.000 1.168 420 L CA 0.676 55.451 54.840 -0.108 0.000 0.815 420 L CB 0.816 42.695 42.059 -0.299 0.000 1.109 420 L HN 0.416 nan 8.230 nan 0.000 0.462 421 T N -0.658 113.985 114.554 0.148 0.000 2.813 421 T HA 0.162 4.512 4.350 -0.001 0.000 0.297 421 T C 1.069 175.812 174.700 0.071 0.000 1.036 421 T CA -0.562 61.608 62.100 0.116 0.000 1.044 421 T CB 0.498 69.445 68.868 0.133 0.000 0.993 421 T HN 0.478 nan 8.240 nan 0.000 0.535 422 L N 0.326 121.583 121.223 0.057 0.000 2.083 422 L HA 0.032 4.371 4.340 -0.001 0.000 0.209 422 L C 2.628 179.521 176.870 0.038 0.000 1.083 422 L CA 1.854 56.718 54.840 0.040 0.000 0.752 422 L CB -1.095 40.985 42.059 0.035 0.000 0.899 422 L HN 0.955 nan 8.230 nan 0.000 0.433 423 E N -0.742 119.487 120.200 0.047 0.000 2.051 423 E HA -0.247 4.102 4.350 -0.001 0.000 0.192 423 E C 1.669 178.303 176.600 0.057 0.000 0.991 423 E CA 1.533 57.959 56.400 0.043 0.000 0.799 423 E CB 0.016 29.747 29.700 0.051 0.000 0.748 423 E HN 0.550 nan 8.360 nan 0.000 0.449 424 D N -0.072 120.381 120.400 0.088 0.000 2.117 424 D HA -0.115 4.525 4.640 -0.001 0.000 0.198 424 D C 1.781 178.126 176.300 0.075 0.000 0.982 424 D CA 1.244 55.310 54.000 0.110 0.000 0.828 424 D CB -0.304 40.609 40.800 0.187 0.000 0.967 424 D HN 0.250 nan 8.370 nan 0.000 0.464 425 A N 0.887 123.734 122.820 0.045 0.000 1.933 425 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 425 A C 2.140 179.796 177.584 0.120 0.000 1.175 425 A CA 1.197 53.261 52.037 0.045 0.000 0.628 425 A CB -0.452 18.551 19.000 0.004 0.000 0.814 425 A HN 0.121 nan 8.150 nan 0.000 0.444 426 R N -0.950 119.587 120.500 0.063 0.000 2.189 426 R HA -0.097 4.242 4.340 -0.001 0.000 0.223 426 R C 0.573 176.861 176.300 -0.019 0.000 1.092 426 R CA 1.241 57.353 56.100 0.019 0.000 0.989 426 R CB -0.155 30.114 30.300 -0.052 0.000 0.876 426 R HN 0.484 nan 8.270 nan 0.000 0.457 427 D N -0.001 120.410 120.400 0.018 0.000 2.491 427 D HA -0.014 4.626 4.640 -0.001 0.000 0.228 427 D C -0.488 175.810 176.300 -0.003 0.000 1.183 427 D CA -0.446 53.541 54.000 -0.022 0.000 0.827 427 D CB 0.035 40.851 40.800 0.028 0.000 0.989 427 D HN 0.122 nan 8.370 nan 0.000 0.494 428 Y N -1.040 119.240 120.300 -0.033 0.000 2.426 428 Y HA 0.544 5.093 4.550 -0.002 0.000 0.344 428 Y C 0.575 176.455 175.900 -0.032 0.000 1.256 428 Y CA -0.669 57.413 58.100 -0.031 0.000 1.451 428 Y CB 0.704 39.124 38.460 -0.066 0.000 1.342 428 Y HN -0.107 nan 8.280 nan 0.000 0.600 429 G N 2.609 111.469 108.800 0.099 0.000 2.730 429 G HA2 0.615 4.575 3.960 -0.001 0.000 0.289 429 G HA3 0.615 4.575 3.960 -0.001 0.000 0.289 429 G C -1.751 173.196 174.900 0.078 0.000 1.341 429 G CA -1.160 43.938 45.100 -0.003 0.000 0.932 429 G HN 0.614 nan 8.290 nan 0.000 0.481 430 I N 0.862 121.401 120.570 -0.051 0.000 2.412 430 I HA 0.400 4.569 4.170 -0.001 0.000 0.296 430 I C -0.432 175.639 176.117 -0.076 0.000 0.987 430 I CA -0.868 60.353 61.300 -0.133 0.000 1.180 430 I CB 1.596 39.352 38.000 -0.407 0.000 1.340 430 I HN 0.139 nan 8.210 nan 0.000 0.455 431 I N 4.082 124.585 120.570 -0.111 0.000 2.359 431 I HA 0.441 4.611 4.170 -0.001 0.000 0.294 431 I C 1.158 177.240 176.117 -0.058 0.000 0.987 431 I CA 0.121 61.379 61.300 -0.070 0.000 1.225 431 I CB 0.634 38.556 38.000 -0.130 0.000 1.366 431 I HN 0.870 nan 8.210 nan 0.000 0.466 432 G N 5.672 114.459 108.800 -0.022 0.000 2.686 432 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.329 432 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.329 432 G C 1.036 175.961 174.900 0.041 0.000 1.187 432 G CA 0.771 45.871 45.100 -0.000 0.000 0.965 432 G HN 0.595 nan 8.290 nan 0.000 0.549 433 C N -0.691 118.552 119.300 -0.095 0.000 2.611 433 C HA 0.468 4.928 4.460 -0.001 0.000 0.283 433 C C 2.311 177.268 174.990 -0.055 0.000 1.340 433 C CA 2.209 61.180 59.018 -0.078 0.000 1.716 433 C CB -0.490 27.064 27.740 -0.309 0.000 2.134 433 C HN 1.428 nan 8.230 nan 0.000 0.526 434 V N -1.817 117.976 119.914 -0.202 0.000 3.486 434 V HA 0.329 4.448 4.120 -0.001 0.000 0.335 434 V C -0.852 175.274 176.094 0.054 0.000 1.506 434 V CA -0.141 62.194 62.300 0.058 0.000 1.206 434 V CB -0.849 30.970 31.823 -0.008 0.000 1.049 434 V HN 0.361 nan 8.190 nan 0.000 0.502 435 E N 3.816 123.967 120.200 -0.081 0.000 2.105 435 E HA 0.491 4.841 4.350 -0.001 0.000 0.285 435 E C -2.755 173.719 176.600 -0.211 0.000 1.055 435 E CA -1.702 54.632 56.400 -0.111 0.000 0.843 435 E CB 0.994 30.599 29.700 -0.158 0.000 1.067 435 E HN 0.400 nan 8.360 nan 0.000 0.398 436 P HA 0.096 nan 4.420 nan 0.000 0.282 436 P C -1.063 176.187 177.300 -0.084 0.000 1.249 436 P CA -0.556 62.500 63.100 -0.073 0.000 0.806 436 P CB 0.832 32.452 31.700 -0.134 0.000 0.984 437 Q N -0.269 119.551 119.800 0.033 0.000 2.702 437 Q HA 0.488 4.827 4.340 -0.001 0.000 0.289 437 Q C -1.488 174.610 176.000 0.163 0.000 0.923 437 Q CA -1.201 54.674 55.803 0.119 0.000 0.787 437 Q CB 0.871 29.743 28.738 0.223 0.000 1.476 437 Q HN 0.004 nan 8.270 nan 0.000 0.402 438 K N 2.064 122.565 120.400 0.169 0.000 2.284 438 K HA 0.434 4.754 4.320 -0.001 0.000 0.287 438 K C -2.594 174.135 176.600 0.216 0.000 1.081 438 K CA -1.830 54.566 56.287 0.183 0.000 0.910 438 K CB 0.818 33.434 32.500 0.193 0.000 1.088 438 K HN 0.376 nan 8.250 nan 0.000 0.478 439 P HA 0.114 nan 4.420 nan 0.000 0.269 439 P C 0.252 177.650 177.300 0.163 0.000 1.209 439 P CA 0.522 63.737 63.100 0.192 0.000 0.776 439 P CB 0.796 32.627 31.700 0.218 0.000 0.876 440 G N 1.696 110.570 108.800 0.123 0.000 2.168 440 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.263 440 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.263 440 G C 0.559 175.507 174.900 0.079 0.000 0.977 440 G CA 0.421 45.563 45.100 0.070 0.000 0.659 440 G HN 0.602 nan 8.290 nan 0.000 0.533 441 K N -0.663 119.820 120.400 0.138 0.000 2.582 441 K HA 0.185 4.505 4.320 -0.001 0.000 0.204 441 K C -0.103 176.612 176.600 0.191 0.000 1.221 441 K CA 0.316 56.682 56.287 0.132 0.000 1.048 441 K CB 1.277 33.891 32.500 0.191 0.000 1.011 441 K HN 0.273 nan 8.250 nan 0.000 0.597 442 T N 0.886 115.570 114.554 0.217 0.000 2.893 442 T HA 0.292 4.641 4.350 -0.001 0.000 0.291 442 T C -1.270 173.529 174.700 0.165 0.000 1.028 442 T CA -0.629 61.620 62.100 0.249 0.000 0.995 442 T CB 2.463 71.560 68.868 0.381 0.000 1.051 442 T HN -0.061 nan 8.240 nan 0.000 0.470 443 E N 0.946 121.210 120.200 0.107 0.000 2.346 443 E HA 0.523 4.873 4.350 -0.001 0.000 0.239 443 E C 0.782 177.417 176.600 0.059 0.000 0.943 443 E CA -0.553 55.889 56.400 0.069 0.000 0.751 443 E CB 0.032 29.725 29.700 -0.012 0.000 1.241 443 E HN 0.783 nan 8.360 nan 0.000 0.423 444 G N 2.421 111.249 108.800 0.047 0.000 2.838 444 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.210 444 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.210 444 G C -0.195 174.533 174.900 -0.287 0.000 1.153 444 G CA -0.333 44.602 45.100 -0.275 0.000 0.778 444 G HN 0.638 nan 8.290 nan 0.000 0.539 445 W N 1.314 122.413 121.300 -0.334 0.000 6.719 445 W HA -0.181 4.478 4.660 -0.001 0.000 0.406 445 W C 0.928 177.365 176.519 -0.138 0.000 1.551 445 W CA -0.104 57.129 57.345 -0.186 0.000 1.103 445 W CB -2.341 27.018 29.460 -0.169 0.000 2.735 445 W HN 0.448 nan 8.180 nan 0.000 1.586 446 H N -1.100 118.066 119.070 0.160 0.000 2.560 446 H HA -0.068 4.488 4.556 -0.001 0.000 0.283 446 H C 1.071 176.428 175.328 0.048 0.000 1.028 446 H CA 1.758 57.894 56.048 0.146 0.000 1.221 446 H CB 0.233 30.149 29.762 0.256 0.000 1.363 446 H HN 0.168 nan 8.280 nan 0.000 0.594 447 D N -0.393 119.881 120.400 -0.209 0.000 2.968 447 D HA 0.019 4.658 4.640 -0.001 0.000 0.301 447 D C 0.864 176.661 176.300 -0.838 0.000 1.226 447 D CA -0.033 53.732 54.000 -0.392 0.000 0.746 447 D CB 0.098 40.786 40.800 -0.187 0.000 1.278 447 D HN 0.082 nan 8.370 nan 0.000 0.544 448 S N -0.282 115.081 115.700 -0.562 0.000 2.522 448 S HA 0.505 4.974 4.470 -0.001 0.000 0.227 448 S C 0.867 175.236 174.600 -0.385 0.000 0.986 448 S CA 0.461 58.319 58.200 -0.569 0.000 0.929 448 S CB 0.317 63.562 63.200 0.074 0.000 0.769 448 S HN 0.508 nan 8.310 nan 0.000 0.529 449 A N -0.292 122.296 122.820 -0.386 0.000 2.549 449 A HA 0.631 4.950 4.320 -0.001 0.000 0.291 449 A C -1.853 175.523 177.584 -0.346 0.000 1.034 449 A CA -0.934 50.978 52.037 -0.209 0.000 0.655 449 A CB 0.086 19.110 19.000 0.040 0.000 1.299 449 A HN 0.284 nan 8.150 nan 0.000 0.427 450 F N 0.022 120.038 119.950 0.110 0.000 2.507 450 F HA 0.694 5.221 4.527 -0.000 0.000 0.325 450 F C -0.523 175.532 175.800 0.424 0.000 1.116 450 F CA -0.322 57.751 58.000 0.121 0.000 0.930 450 F CB 2.145 41.054 39.000 -0.152 0.000 1.146 450 F HN 0.568 nan 8.300 nan 0.000 0.447 451 F N 3.878 124.055 119.950 0.378 0.000 2.493 451 F HA 0.397 4.923 4.527 -0.001 0.000 0.329 451 F C -0.323 175.480 175.800 0.004 0.000 1.126 451 F CA -0.814 57.298 58.000 0.187 0.000 0.937 451 F CB 0.960 39.990 39.000 0.051 0.000 1.146 451 F HN 0.332 nan 8.300 nan 0.000 0.442 452 N N 6.916 125.198 118.700 -0.697 0.000 2.482 452 N HA 0.133 4.872 4.740 -0.001 0.000 0.242 452 N C 0.833 176.073 175.510 -0.450 0.000 1.100 452 N CA 0.193 52.780 53.050 -0.772 0.000 0.946 452 N CB 0.551 38.214 38.487 -1.373 0.000 1.227 452 N HN 0.880 nan 8.380 nan 0.000 0.508 453 L N 2.406 123.567 121.223 -0.103 0.000 2.131 453 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 453 L C 2.255 179.131 176.870 0.009 0.000 1.092 453 L CA 1.177 56.045 54.840 0.047 0.000 0.759 453 L CB -0.346 41.748 42.059 0.059 0.000 0.903 453 L HN 0.512 nan 8.230 nan 0.000 0.435 454 A N -0.196 122.583 122.820 -0.069 0.000 1.972 454 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 454 A C 2.373 179.894 177.584 -0.104 0.000 1.169 454 A CA 1.153 53.157 52.037 -0.056 0.000 0.635 454 A CB -0.361 18.598 19.000 -0.069 0.000 0.810 454 A HN 0.242 nan 8.150 nan 0.000 0.446 455 R N -0.335 120.024 120.500 -0.235 0.000 2.115 455 R HA -0.047 4.292 4.340 -0.001 0.000 0.230 455 R C 1.802 177.980 176.300 -0.203 0.000 1.111 455 R CA 0.933 56.863 56.100 -0.284 0.000 0.976 455 R CB -0.556 29.456 30.300 -0.481 0.000 0.870 455 R HN 0.498 nan 8.270 nan 0.000 0.445 456 I N 0.348 120.843 120.570 -0.126 0.000 2.394 456 I HA -0.170 3.999 4.170 -0.001 0.000 0.251 456 I C 2.381 178.558 176.117 0.100 0.000 1.136 456 I CA 0.914 62.213 61.300 -0.002 0.000 1.425 456 I CB -0.969 37.079 38.000 0.080 0.000 1.079 456 I HN -0.130 nan 8.210 nan 0.000 0.425 457 V N 0.805 120.805 119.914 0.143 0.000 2.358 457 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 457 V C 2.569 178.697 176.094 0.057 0.000 1.047 457 V CA 1.830 64.222 62.300 0.153 0.000 1.035 457 V CB -0.609 31.296 31.823 0.137 0.000 0.658 457 V HN 0.436 nan 8.190 nan 0.000 0.452 458 E N 0.121 120.319 120.200 -0.002 0.000 2.077 458 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 458 E C 2.168 178.749 176.600 -0.032 0.000 0.989 458 E CA 1.348 57.727 56.400 -0.035 0.000 0.800 458 E CB -0.124 29.528 29.700 -0.080 0.000 0.746 458 E HN 0.566 nan 8.360 nan 0.000 0.452 459 L N 0.309 121.509 121.223 -0.038 0.000 2.291 459 L HA -0.095 4.245 4.340 -0.001 0.000 0.214 459 L C 2.423 179.295 176.870 0.003 0.000 1.120 459 L CA 1.019 55.855 54.840 -0.007 0.000 0.799 459 L CB -0.203 41.857 42.059 0.002 0.000 0.925 459 L HN 0.199 nan 8.230 nan 0.000 0.446 460 T N 0.023 114.555 114.554 -0.035 0.000 2.770 460 T HA -0.074 4.275 4.350 -0.001 0.000 0.263 460 T C 1.926 176.550 174.700 -0.128 0.000 1.039 460 T CA 1.079 63.098 62.100 -0.135 0.000 1.142 460 T CB -0.064 68.602 68.868 -0.336 0.000 0.868 460 T HN 0.184 nan 8.240 nan 0.000 0.435 461 I N 1.614 122.117 120.570 -0.113 0.000 2.361 461 I HA -0.112 4.058 4.170 -0.001 0.000 0.251 461 I C 1.503 177.637 176.117 0.029 0.000 1.133 461 I CA 0.928 62.121 61.300 -0.179 0.000 1.413 461 I CB -0.198 37.695 38.000 -0.178 0.000 1.073 461 I HN 0.171 nan 8.210 nan 0.000 0.424 462 N N 0.483 119.212 118.700 0.048 0.000 2.251 462 N HA 0.066 4.805 4.740 -0.001 0.000 0.217 462 N C 0.120 175.708 175.510 0.130 0.000 1.124 462 N CA 0.150 53.267 53.050 0.111 0.000 0.843 462 N CB 0.580 39.133 38.487 0.110 0.000 1.024 462 N HN 0.002 nan 8.380 nan 0.000 0.501 463 S N -0.081 115.675 115.700 0.093 0.000 3.559 463 S HA -0.189 4.280 4.470 -0.001 0.000 0.369 463 S C 1.241 175.899 174.600 0.097 0.000 0.987 463 S CA 0.774 59.022 58.200 0.080 0.000 1.187 463 S CB -1.673 61.571 63.200 0.073 0.000 0.914 463 S HN 0.760 nan 8.310 nan 0.000 0.480 464 G N -0.544 108.316 108.800 0.100 0.000 2.168 464 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.263 464 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.263 464 G C -0.107 174.892 174.900 0.166 0.000 0.977 464 G CA 0.451 45.621 45.100 0.116 0.000 0.659 464 G HN 0.834 nan 8.290 nan 0.000 0.533 465 F N 1.419 121.370 119.950 0.002 0.000 2.408 465 F HA 0.639 5.165 4.527 -0.001 0.000 0.344 465 F C -0.058 175.734 175.800 -0.013 0.000 1.112 465 F CA -1.296 56.701 58.000 -0.004 0.000 1.096 465 F CB 1.740 40.739 39.000 -0.002 0.000 1.129 465 F HN 0.084 nan 8.300 nan 0.000 0.486 466 D N 4.096 124.220 120.400 -0.460 0.000 2.966 466 D HA 0.277 4.916 4.640 -0.001 0.000 0.222 466 D C -1.213 174.823 176.300 -0.440 0.000 1.292 466 D CA -0.444 53.356 54.000 -0.333 0.000 0.907 466 D CB 0.953 41.635 40.800 -0.197 0.000 1.621 466 D HN 0.567 nan 8.370 nan 0.000 0.557 467 K N 3.102 123.307 120.400 -0.326 0.000 3.150 467 K HA -0.222 4.097 4.320 -0.001 0.000 0.267 467 K C -0.478 175.916 176.600 -0.342 0.000 1.028 467 K CA 0.587 56.719 56.287 -0.258 0.000 0.753 467 K CB -1.320 31.065 32.500 -0.192 0.000 1.288 467 K HN 0.693 nan 8.250 nan 0.000 0.473 468 N N -0.624 117.764 118.700 -0.519 0.000 2.735 468 N HA -0.202 4.538 4.740 -0.001 0.000 0.248 468 N C -0.664 174.519 175.510 -0.546 0.000 1.083 468 N CA 2.187 54.975 53.050 -0.436 0.000 0.703 468 N CB -0.800 37.661 38.487 -0.043 0.000 1.005 468 N HN 0.792 nan 8.380 nan 0.000 0.550 469 K N -1.837 117.943 120.400 -1.032 0.000 2.542 469 K HA 0.422 4.741 4.320 -0.001 0.000 0.259 469 K C -0.819 175.525 176.600 -0.426 0.000 0.932 469 K CA -0.932 55.083 56.287 -0.454 0.000 0.820 469 K CB 1.584 33.947 32.500 -0.230 0.000 1.345 469 K HN -0.184 nan 8.250 nan 0.000 0.432 470 Q N 3.352 123.162 119.800 0.017 0.000 2.452 470 Q HA 0.192 4.531 4.340 -0.001 0.000 0.230 470 Q C 0.475 176.488 176.000 0.021 0.000 1.180 470 Q CA -0.175 55.711 55.803 0.139 0.000 0.914 470 Q CB 0.179 29.036 28.738 0.198 0.000 1.408 470 Q HN 0.805 nan 8.270 nan 0.000 0.520 471 I N -0.338 120.239 120.570 0.011 0.000 3.030 471 I HA 0.419 4.588 4.170 -0.001 0.000 0.270 471 I C 0.889 177.076 176.117 0.116 0.000 1.211 471 I CA 0.116 61.462 61.300 0.076 0.000 1.479 471 I CB 0.344 38.407 38.000 0.106 0.000 1.105 471 I HN 0.407 nan 8.210 nan 0.000 0.447 472 G N 0.834 109.672 108.800 0.064 0.000 2.932 472 G HA2 0.615 4.574 3.960 -0.001 0.000 0.283 472 G HA3 0.615 4.574 3.960 -0.001 0.000 0.283 472 G C -2.954 171.742 174.900 -0.340 0.000 1.336 472 G CA -1.615 43.392 45.100 -0.156 0.000 1.056 472 G HN -0.064 nan 8.290 nan 0.000 0.522 473 P HA 0.152 nan 4.420 nan 0.000 0.269 473 P C -0.501 176.727 177.300 -0.120 0.000 1.215 473 P CA -0.070 62.850 63.100 -0.300 0.000 0.780 473 P CB 0.629 32.191 31.700 -0.230 0.000 0.898 474 K N 2.250 122.601 120.400 -0.083 0.000 2.180 474 K HA 0.170 4.489 4.320 -0.001 0.000 0.250 474 K C -0.087 176.500 176.600 -0.023 0.000 1.135 474 K CA -0.234 56.035 56.287 -0.031 0.000 1.037 474 K CB -0.486 31.999 32.500 -0.026 0.000 1.624 474 K HN 0.506 nan 8.250 nan 0.000 0.382 475 T N -0.256 114.291 114.554 -0.013 0.000 2.816 475 T HA 0.024 4.374 4.350 -0.001 0.000 0.282 475 T C 0.329 175.041 174.700 0.018 0.000 0.993 475 T CA -0.826 61.271 62.100 -0.006 0.000 0.994 475 T CB 0.963 69.821 68.868 -0.016 0.000 1.025 475 T HN 0.583 nan 8.240 nan 0.000 0.529 476 Q N 1.243 121.059 119.800 0.028 0.000 2.304 476 Q HA -0.090 4.250 4.340 -0.001 0.000 0.315 476 Q C -0.258 175.802 176.000 0.101 0.000 1.075 476 Q CA -0.118 55.719 55.803 0.056 0.000 0.988 476 Q CB 0.198 28.974 28.738 0.065 0.000 1.146 476 Q HN 0.532 nan 8.270 nan 0.000 0.383 477 N N 4.549 123.306 118.700 0.095 0.000 2.411 477 N HA -0.098 4.642 4.740 -0.001 0.000 0.261 477 N C 0.346 175.993 175.510 0.228 0.000 1.248 477 N CA 0.350 53.478 53.050 0.129 0.000 0.885 477 N CB 0.235 38.765 38.487 0.072 0.000 1.062 477 N HN 0.673 nan 8.380 nan 0.000 0.471 478 F N 2.548 122.564 119.950 0.110 0.000 2.161 478 F HA -0.247 4.280 4.527 -0.001 0.000 0.300 478 F C 1.601 177.491 175.800 0.150 0.000 1.089 478 F CA 1.299 59.408 58.000 0.181 0.000 1.282 478 F CB 0.402 39.521 39.000 0.199 0.000 1.010 478 F HN 0.492 nan 8.300 nan 0.000 0.485 479 E N 0.382 120.589 120.200 0.011 0.000 2.209 479 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 479 E C 1.548 178.101 176.600 -0.078 0.000 0.993 479 E CA 1.544 57.869 56.400 -0.126 0.000 0.819 479 E CB -0.212 29.462 29.700 -0.044 0.000 0.745 479 E HN 0.581 nan 8.360 nan 0.000 0.477 480 E N -0.332 119.875 120.200 0.011 0.000 2.479 480 E HA 0.104 4.453 4.350 -0.001 0.000 0.193 480 E C -0.027 176.621 176.600 0.080 0.000 1.049 480 E CA -0.196 56.225 56.400 0.034 0.000 0.870 480 E CB 0.196 29.922 29.700 0.043 0.000 0.944 480 E HN 0.255 nan 8.360 nan 0.000 0.492 481 M N 0.930 120.613 119.600 0.138 0.000 2.228 481 M HA 0.097 4.577 4.480 -0.001 0.000 0.351 481 M C 0.789 177.284 176.300 0.325 0.000 1.233 481 M CA 0.753 56.207 55.300 0.257 0.000 1.129 481 M CB 0.751 33.635 32.600 0.474 0.000 1.604 481 M HN -0.149 nan 8.290 nan 0.000 0.457 482 K N 0.521 121.077 120.400 0.261 0.000 2.373 482 K HA 0.138 4.457 4.320 -0.001 0.000 0.200 482 K C -0.049 176.709 176.600 0.263 0.000 1.054 482 K CA -0.002 56.447 56.287 0.269 0.000 1.065 482 K CB 0.702 33.282 32.500 0.133 0.000 0.886 482 K HN 0.766 nan 8.250 nan 0.000 0.546 483 S N -1.172 114.516 115.700 -0.020 0.000 2.564 483 S HA 0.280 4.749 4.470 -0.001 0.000 0.274 483 S C 0.090 174.124 174.600 -0.943 0.000 1.124 483 S CA -0.877 57.125 58.200 -0.331 0.000 0.869 483 S CB 0.941 64.078 63.200 -0.105 0.000 1.105 483 S HN 0.074 nan 8.310 nan 0.000 0.472 484 F N 1.814 121.154 119.950 -1.016 0.000 2.293 484 F HA 0.072 4.599 4.527 -0.001 0.000 0.300 484 F C 1.215 176.871 175.800 -0.240 0.000 1.086 484 F CA 1.346 58.899 58.000 -0.746 0.000 1.375 484 F CB -0.616 38.201 39.000 -0.305 0.000 1.045 484 F HN 0.721 nan 8.300 nan 0.000 0.516 485 D N 0.105 120.379 120.400 -0.210 0.000 2.144 485 D HA -0.180 4.460 4.640 -0.001 0.000 0.199 485 D C 2.008 178.208 176.300 -0.167 0.000 0.984 485 D CA 1.631 55.529 54.000 -0.170 0.000 0.834 485 D CB -0.267 40.493 40.800 -0.067 0.000 0.955 485 D HN 0.439 nan 8.370 nan 0.000 0.465 486 E N -0.582 119.535 120.200 -0.138 0.000 2.150 486 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 486 E C 1.597 178.177 176.600 -0.033 0.000 0.985 486 E CA 0.305 56.671 56.400 -0.056 0.000 0.814 486 E CB -0.102 29.600 29.700 0.004 0.000 0.752 486 E HN 0.287 nan 8.360 nan 0.000 0.466 487 F N 1.171 120.984 119.950 -0.228 0.000 2.113 487 F HA -0.177 4.349 4.527 -0.001 0.000 0.297 487 F C 2.156 177.819 175.800 -0.228 0.000 1.103 487 F CA 1.184 59.086 58.000 -0.164 0.000 1.248 487 F CB 0.038 38.934 39.000 -0.173 0.000 0.999 487 F HN -0.061 nan 8.300 nan 0.000 0.475 488 M N 0.372 119.779 119.600 -0.322 0.000 2.279 488 M HA -0.181 4.299 4.480 -0.001 0.000 0.264 488 M C 1.936 178.175 176.300 -0.102 0.000 1.062 488 M CA 1.490 56.639 55.300 -0.253 0.000 1.099 488 M CB -1.128 31.286 32.600 -0.309 0.000 1.394 488 M HN 0.178 nan 8.290 nan 0.000 0.426 489 K N -0.195 120.134 120.400 -0.118 0.000 2.103 489 K HA -0.001 4.318 4.320 -0.001 0.000 0.204 489 K C 2.101 178.656 176.600 -0.076 0.000 1.052 489 K CA 1.298 57.542 56.287 -0.071 0.000 0.945 489 K CB -0.141 32.324 32.500 -0.059 0.000 0.722 489 K HN 0.271 nan 8.250 nan 0.000 0.443 490 A N 0.769 123.516 122.820 -0.121 0.000 1.930 490 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 490 A C 2.043 179.550 177.584 -0.129 0.000 1.175 490 A CA 1.086 53.047 52.037 -0.127 0.000 0.627 490 A CB -0.685 18.217 19.000 -0.163 0.000 0.815 490 A HN 0.402 nan 8.150 nan 0.000 0.443 491 Y N 0.848 120.938 120.300 -0.351 0.000 2.128 491 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 491 Y C 2.303 178.143 175.900 -0.100 0.000 1.154 491 Y CA 2.413 60.349 58.100 -0.274 0.000 1.149 491 Y CB -0.311 37.955 38.460 -0.324 0.000 0.976 491 Y HN 0.312 nan 8.280 nan 0.000 0.505 492 K N 0.027 120.365 120.400 -0.103 0.000 2.097 492 K HA -0.139 4.180 4.320 -0.001 0.000 0.206 492 K C 2.195 178.730 176.600 -0.108 0.000 1.049 492 K CA 1.161 57.361 56.287 -0.145 0.000 0.933 492 K CB -0.388 32.083 32.500 -0.048 0.000 0.717 492 K HN 0.396 nan 8.250 nan 0.000 0.442 493 A N 0.809 123.587 122.820 -0.069 0.000 1.930 493 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 493 A C 2.043 179.633 177.584 0.010 0.000 1.175 493 A CA 1.109 53.127 52.037 -0.031 0.000 0.627 493 A CB -0.367 18.613 19.000 -0.033 0.000 0.815 493 A HN 0.333 nan 8.150 nan 0.000 0.443 494 Q N -1.360 118.446 119.800 0.011 0.000 2.079 494 Q HA -0.149 4.190 4.340 -0.001 0.000 0.200 494 Q C 2.062 178.211 176.000 0.250 0.000 0.974 494 Q CA 1.698 57.588 55.803 0.146 0.000 0.840 494 Q CB -0.501 28.314 28.738 0.129 0.000 0.898 494 Q HN 0.670 nan 8.270 nan 0.000 0.430 495 M N 1.274 120.901 119.600 0.044 0.000 2.080 495 M HA -0.200 4.279 4.480 -0.001 0.000 0.260 495 M C 1.936 178.284 176.300 0.080 0.000 1.068 495 M CA 1.804 57.140 55.300 0.059 0.000 1.109 495 M CB -0.312 32.154 32.600 -0.223 0.000 1.342 495 M HN 0.250 nan 8.290 nan 0.000 0.405 496 E N -1.478 118.730 120.200 0.013 0.000 2.058 496 E HA -0.290 4.060 4.350 -0.001 0.000 0.194 496 E C 2.047 178.657 176.600 0.016 0.000 0.997 496 E CA 1.764 58.162 56.400 -0.003 0.000 0.801 496 E CB -0.485 29.208 29.700 -0.012 0.000 0.746 496 E HN 0.678 nan 8.360 nan 0.000 0.450 497 Y N -0.102 120.156 120.300 -0.070 0.000 2.114 497 Y HA -0.217 4.333 4.550 -0.001 0.000 0.284 497 Y C 1.815 177.629 175.900 -0.143 0.000 1.143 497 Y CA 2.049 60.050 58.100 -0.164 0.000 1.135 497 Y CB -0.429 37.847 38.460 -0.307 0.000 0.980 497 Y HN 0.057 nan 8.280 nan 0.000 0.499 498 F N -1.300 118.793 119.950 0.238 0.000 2.259 498 F HA -0.123 4.403 4.527 -0.001 0.000 0.298 498 F C 2.325 178.176 175.800 0.085 0.000 1.088 498 F CA 1.099 59.271 58.000 0.286 0.000 1.358 498 F CB -0.869 38.433 39.000 0.502 0.000 1.040 498 F HN -0.130 nan 8.300 nan 0.000 0.505 499 V N 0.220 120.179 119.914 0.076 0.000 2.427 499 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 499 V C 2.538 178.288 176.094 -0.572 0.000 1.051 499 V CA 1.674 63.777 62.300 -0.328 0.000 1.048 499 V CB -0.544 31.028 31.823 -0.419 0.000 0.666 499 V HN 0.265 nan 8.190 nan 0.000 0.456 500 K N -0.530 119.578 120.400 -0.486 0.000 2.032 500 K HA -0.233 4.086 4.320 -0.001 0.000 0.209 500 K C 2.183 178.348 176.600 -0.725 0.000 1.048 500 K CA 1.812 57.704 56.287 -0.659 0.000 0.927 500 K CB -0.263 31.953 32.500 -0.473 0.000 0.712 500 K HN 0.526 nan 8.250 nan 0.000 0.441 501 H N 0.131 118.948 119.070 -0.420 0.000 2.462 501 H HA -0.082 4.473 4.556 -0.001 0.000 0.292 501 H C 2.009 177.176 175.328 -0.268 0.000 1.049 501 H CA 1.419 57.310 56.048 -0.262 0.000 1.334 501 H CB -0.050 29.628 29.762 -0.140 0.000 1.404 501 H HN 0.360 nan 8.280 nan 0.000 0.544 502 M N -0.052 119.204 119.600 -0.573 0.000 2.132 502 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 502 M C 2.161 178.222 176.300 -0.398 0.000 1.065 502 M CA 1.495 56.271 55.300 -0.873 0.000 1.122 502 M CB -0.159 31.725 32.600 -1.193 0.000 1.365 502 M HN 0.159 nan 8.290 nan 0.000 0.411 503 C N -0.011 118.930 119.300 -0.598 0.000 2.440 503 C HA -0.105 4.354 4.460 -0.001 0.000 0.278 503 C C 2.851 177.635 174.990 -0.343 0.000 1.295 503 C CA 0.566 59.185 59.018 -0.665 0.000 1.738 503 C CB -1.404 25.374 27.740 -1.603 0.000 1.987 503 C HN 0.747 nan 8.230 nan 0.000 0.492 504 C N 0.889 119.994 119.300 -0.326 0.000 2.446 504 C HA -0.026 4.434 4.460 -0.001 0.000 0.277 504 C C 3.123 178.131 174.990 0.030 0.000 1.275 504 C CA 1.187 60.134 59.018 -0.119 0.000 1.727 504 C CB -1.478 26.196 27.740 -0.110 0.000 2.010 504 C HN 0.701 nan 8.230 nan 0.000 0.486 505 A N 0.679 123.543 122.820 0.072 0.000 1.902 505 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 505 A C 1.841 179.561 177.584 0.225 0.000 1.181 505 A CA 2.177 54.319 52.037 0.175 0.000 0.623 505 A CB -0.646 18.500 19.000 0.244 0.000 0.818 505 A HN 0.520 nan 8.150 nan 0.000 0.443 506 D N 0.102 120.645 120.400 0.239 0.000 2.123 506 D HA -0.134 4.506 4.640 -0.001 0.000 0.196 506 D C 1.635 178.136 176.300 0.336 0.000 0.992 506 D CA 1.223 55.459 54.000 0.394 0.000 0.833 506 D CB -0.335 40.750 40.800 0.475 0.000 0.954 506 D HN 0.354 nan 8.370 nan 0.000 0.455 507 N N -0.107 118.720 118.700 0.212 0.000 2.223 507 N HA -0.106 4.634 4.740 -0.001 0.000 0.185 507 N C 1.903 177.441 175.510 0.047 0.000 1.016 507 N CA 0.451 53.548 53.050 0.078 0.000 0.863 507 N CB -0.522 38.000 38.487 0.059 0.000 0.983 507 N HN 0.247 nan 8.380 nan 0.000 0.429 508 C N 0.450 119.819 119.300 0.114 0.000 2.440 508 C HA 0.102 4.561 4.460 -0.001 0.000 0.278 508 C C 2.665 177.781 174.990 0.209 0.000 1.295 508 C CA -0.080 59.011 59.018 0.121 0.000 1.738 508 C CB -0.924 26.942 27.740 0.210 0.000 1.987 508 C HN 0.399 nan 8.230 nan 0.000 0.492 509 I N 0.635 121.401 120.570 0.326 0.000 2.439 509 I HA -0.157 4.013 4.170 -0.001 0.000 0.251 509 I C 2.409 178.860 176.117 0.557 0.000 1.139 509 I CA 1.370 62.945 61.300 0.458 0.000 1.438 509 I CB -0.535 37.811 38.000 0.578 0.000 1.085 509 I HN 0.341 nan 8.210 nan 0.000 0.427 510 D N 1.456 122.096 120.400 0.401 0.000 2.097 510 D HA -0.157 4.482 4.640 -0.001 0.000 0.195 510 D C 2.254 178.597 176.300 0.072 0.000 0.989 510 D CA 1.476 55.510 54.000 0.056 0.000 0.827 510 D CB 0.010 40.498 40.800 -0.520 0.000 0.966 510 D HN 0.278 nan 8.370 nan 0.000 0.456 511 I N 0.885 121.446 120.570 -0.015 0.000 2.286 511 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 511 I C 2.561 178.706 176.117 0.047 0.000 1.115 511 I CA 1.023 62.270 61.300 -0.089 0.000 1.392 511 I CB -0.207 37.578 38.000 -0.359 0.000 1.065 511 I HN -0.033 nan 8.210 nan 0.000 0.418 512 A N 0.015 122.923 122.820 0.147 0.000 1.902 512 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 512 A C 2.228 179.896 177.584 0.141 0.000 1.181 512 A CA 1.492 53.641 52.037 0.187 0.000 0.623 512 A CB -0.902 18.201 19.000 0.172 0.000 0.818 512 A HN 0.415 nan 8.150 nan 0.000 0.443 513 H N -0.565 118.635 119.070 0.216 0.000 2.387 513 H HA -0.045 4.511 4.556 -0.001 0.000 0.299 513 H C 2.530 177.964 175.328 0.177 0.000 1.090 513 H CA 1.460 57.644 56.048 0.228 0.000 1.332 513 H CB -0.244 29.672 29.762 0.256 0.000 1.386 513 H HN 0.535 nan 8.280 nan 0.000 0.516 514 A N 0.754 123.714 122.820 0.234 0.000 1.930 514 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 514 A C 2.337 179.998 177.584 0.127 0.000 1.175 514 A CA 1.598 53.717 52.037 0.136 0.000 0.627 514 A CB -0.277 18.752 19.000 0.048 0.000 0.815 514 A HN 0.460 nan 8.150 nan 0.000 0.443 515 E N -0.807 119.474 120.200 0.134 0.000 2.112 515 E HA -0.074 4.276 4.350 -0.001 0.000 0.190 515 E C 2.023 178.714 176.600 0.152 0.000 0.979 515 E CA 0.769 57.251 56.400 0.136 0.000 0.814 515 E CB 0.052 29.853 29.700 0.169 0.000 0.762 515 E HN 0.558 nan 8.360 nan 0.000 0.460 516 R N -1.303 119.299 120.500 0.170 0.000 2.344 516 R HA 0.299 4.638 4.340 -0.001 0.000 0.209 516 R C 0.154 176.592 176.300 0.231 0.000 0.886 516 R CA 0.550 56.765 56.100 0.192 0.000 1.040 516 R CB 1.272 31.673 30.300 0.168 0.000 1.114 516 R HN -0.060 nan 8.270 nan 0.000 0.547 517 A N 2.249 125.218 122.820 0.249 0.000 3.176 517 A HA 0.313 4.632 4.320 -0.001 0.000 0.265 517 A C -2.554 175.216 177.584 0.310 0.000 0.936 517 A CA -1.194 51.028 52.037 0.308 0.000 1.033 517 A CB 0.273 19.527 19.000 0.423 0.000 1.158 517 A HN -0.099 nan 8.150 nan 0.000 0.485 518 P HA 0.285 nan 4.420 nan 0.000 0.275 518 P C -0.605 176.834 177.300 0.232 0.000 1.227 518 P CA 0.168 63.398 63.100 0.216 0.000 0.781 518 P CB 1.148 32.957 31.700 0.182 0.000 0.906 519 L N 5.601 126.958 121.223 0.223 0.000 2.277 519 L HA 0.271 4.611 4.340 -0.001 0.000 0.284 519 L C -1.547 175.457 176.870 0.224 0.000 1.028 519 L CA -2.149 52.821 54.840 0.216 0.000 0.835 519 L CB 1.622 43.796 42.059 0.191 0.000 1.215 519 L HN 0.162 nan 8.230 nan 0.000 0.425 520 P HA -0.183 nan 4.420 nan 0.000 0.214 520 P C 1.510 178.861 177.300 0.084 0.000 1.162 520 P CA 1.138 64.292 63.100 0.089 0.000 0.879 520 P CB 0.204 31.909 31.700 0.008 0.000 0.786 521 F N -0.013 119.930 119.950 -0.012 0.000 2.075 521 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 521 F C 2.117 177.917 175.800 0.000 0.000 1.113 521 F CA 1.076 59.060 58.000 -0.027 0.000 1.218 521 F CB -0.869 38.101 39.000 -0.050 0.000 0.984 521 F HN -0.252 nan 8.300 nan 0.000 0.472 522 L N 0.115 121.351 121.223 0.022 0.000 2.012 522 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 522 L C 2.411 179.224 176.870 -0.094 0.000 1.073 522 L CA 2.186 56.975 54.840 -0.086 0.000 0.748 522 L CB -1.026 41.052 42.059 0.032 0.000 0.891 522 L HN 0.121 nan 8.230 nan 0.000 0.431 523 S N -0.691 115.025 115.700 0.026 0.000 2.399 523 S HA -0.181 4.288 4.470 -0.001 0.000 0.231 523 S C 2.030 176.671 174.600 0.069 0.000 1.022 523 S CA 1.283 59.540 58.200 0.095 0.000 0.983 523 S CB -0.594 62.779 63.200 0.289 0.000 0.803 523 S HN 0.790 nan 8.310 nan 0.000 0.480 524 S N 1.250 116.939 115.700 -0.018 0.000 2.469 524 S HA 0.050 4.519 4.470 -0.001 0.000 0.238 524 S C 1.332 175.869 174.600 -0.104 0.000 0.998 524 S CA 0.760 58.926 58.200 -0.056 0.000 0.957 524 S CB -0.460 62.660 63.200 -0.135 0.000 0.764 524 S HN 0.485 nan 8.310 nan 0.000 0.514 525 M N 1.526 121.021 119.600 -0.174 0.000 2.475 525 M HA 0.343 4.822 4.480 -0.001 0.000 0.261 525 M C -1.011 175.218 176.300 -0.119 0.000 1.177 525 M CA -0.054 55.136 55.300 -0.182 0.000 0.979 525 M CB 1.056 33.472 32.600 -0.307 0.000 1.482 525 M HN 0.058 nan 8.290 nan 0.000 0.484 526 V N 0.001 119.876 119.914 -0.064 0.000 2.577 526 V HA 0.267 4.387 4.120 -0.001 0.000 0.303 526 V C -0.491 175.593 176.094 -0.017 0.000 1.042 526 V CA -1.223 61.059 62.300 -0.030 0.000 0.872 526 V CB 1.949 33.761 31.823 -0.017 0.000 0.998 526 V HN 0.087 nan 8.190 nan 0.000 0.423 527 D N 3.945 124.336 120.400 -0.014 0.000 2.571 527 D HA 0.069 4.708 4.640 -0.001 0.000 0.231 527 D C 0.888 177.159 176.300 -0.048 0.000 1.133 527 D CA 1.314 55.299 54.000 -0.025 0.000 0.862 527 D CB 0.266 41.050 40.800 -0.026 0.000 1.179 527 D HN 0.728 nan 8.370 nan 0.000 0.474 528 N N 0.194 118.870 118.700 -0.040 0.000 2.921 528 N HA -0.233 4.506 4.740 -0.001 0.000 0.205 528 N C 1.201 176.683 175.510 -0.047 0.000 0.945 528 N CA 1.275 54.293 53.050 -0.053 0.000 1.048 528 N CB -1.603 36.827 38.487 -0.095 0.000 0.981 528 N HN 0.452 nan 8.380 nan 0.000 0.590 529 C N 1.120 120.401 119.300 -0.031 0.000 2.413 529 C HA -0.008 4.451 4.460 -0.001 0.000 0.277 529 C C 2.687 177.727 174.990 0.085 0.000 1.228 529 C CA 1.134 60.134 59.018 -0.031 0.000 1.731 529 C CB -1.215 26.555 27.740 0.049 0.000 2.042 529 C HN 0.500 nan 8.230 nan 0.000 0.468 530 I N 0.866 121.536 120.570 0.166 0.000 2.202 530 I HA -0.105 4.064 4.170 -0.001 0.000 0.242 530 I C 2.726 178.921 176.117 0.131 0.000 1.091 530 I CA 1.818 63.248 61.300 0.216 0.000 1.368 530 I CB -0.988 37.085 38.000 0.122 0.000 1.058 530 I HN 0.468 nan 8.210 nan 0.000 0.410 531 G N 0.826 109.664 108.800 0.064 0.000 2.422 531 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 531 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 531 G C 1.690 176.607 174.900 0.027 0.000 1.146 531 G CA 0.549 45.674 45.100 0.041 0.000 0.769 531 G HN 0.195 nan 8.290 nan 0.000 0.547 532 K N 0.131 120.522 120.400 -0.015 0.000 2.400 532 K HA 0.130 4.450 4.320 -0.001 0.000 0.194 532 K C 1.593 178.146 176.600 -0.078 0.000 1.033 532 K CA 0.588 56.838 56.287 -0.063 0.000 1.021 532 K CB 0.100 32.529 32.500 -0.118 0.000 0.808 532 K HN 0.372 nan 8.250 nan 0.000 0.505 533 G N 3.113 111.898 108.800 -0.025 0.000 2.221 533 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.265 533 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.265 533 G C -0.276 174.401 174.900 -0.372 0.000 1.041 533 G CA 0.941 46.057 45.100 0.028 0.000 0.807 533 G HN 0.431 nan 8.290 nan 0.000 0.502 534 K N -1.255 118.679 120.400 -0.777 0.000 2.527 534 K HA 0.732 5.051 4.320 -0.001 0.000 0.260 534 K C 0.318 176.241 176.600 -1.128 0.000 0.937 534 K CA -0.302 55.414 56.287 -0.952 0.000 0.826 534 K CB 1.519 33.758 32.500 -0.435 0.000 1.359 534 K HN 0.614 nan 8.250 nan 0.000 0.434 535 S N 1.473 116.638 115.700 -0.892 0.000 2.608 535 S HA 0.052 4.521 4.470 -0.001 0.000 0.261 535 S C 1.111 175.605 174.600 -0.177 0.000 1.314 535 S CA -0.722 57.273 58.200 -0.342 0.000 0.992 535 S CB 0.370 63.564 63.200 -0.011 0.000 0.935 535 S HN 0.567 nan 8.310 nan 0.000 0.564 536 L N 1.004 122.197 121.223 -0.049 0.000 2.046 536 L HA -0.045 4.294 4.340 -0.001 0.000 0.208 536 L C 2.687 179.523 176.870 -0.057 0.000 1.077 536 L CA 1.833 56.646 54.840 -0.045 0.000 0.747 536 L CB -1.791 40.272 42.059 0.006 0.000 0.896 536 L HN 0.740 nan 8.230 nan 0.000 0.432 537 Q N -0.652 119.141 119.800 -0.012 0.000 2.226 537 Q HA -0.129 4.210 4.340 -0.001 0.000 0.204 537 Q C 1.253 177.212 176.000 -0.069 0.000 0.975 537 Q CA 1.213 57.015 55.803 -0.003 0.000 0.866 537 Q CB -0.229 28.563 28.738 0.089 0.000 0.915 537 Q HN 0.466 nan 8.270 nan 0.000 0.440 538 D N -1.458 118.883 120.400 -0.099 0.000 2.342 538 D HA 0.185 4.824 4.640 -0.001 0.000 0.221 538 D C 0.397 176.599 176.300 -0.163 0.000 1.101 538 D CA 0.638 54.559 54.000 -0.131 0.000 0.837 538 D CB 0.617 41.330 40.800 -0.146 0.000 0.938 538 D HN 0.361 nan 8.370 nan 0.000 0.508 539 G N 0.859 109.559 108.800 -0.168 0.000 2.132 539 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.234 539 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.234 539 G C 1.246 176.040 174.900 -0.175 0.000 0.989 539 G CA 0.128 45.121 45.100 -0.177 0.000 0.676 539 G HN 0.440 nan 8.290 nan 0.000 0.522 540 G N 0.492 109.183 108.800 -0.182 0.000 2.448 540 G HA2 0.373 4.333 3.960 -0.001 0.000 0.219 540 G HA3 0.373 4.333 3.960 -0.001 0.000 0.219 540 G C 1.226 176.040 174.900 -0.142 0.000 1.127 540 G CA 1.560 46.552 45.100 -0.180 0.000 0.766 540 G HN 1.854 nan 8.290 nan 0.000 0.552 541 A N 0.234 122.979 122.820 -0.126 0.000 2.466 541 A HA 0.397 4.716 4.320 -0.001 0.000 0.238 541 A C 1.403 178.885 177.584 -0.169 0.000 1.074 541 A CA 0.675 52.647 52.037 -0.109 0.000 0.774 541 A CB 0.453 19.414 19.000 -0.065 0.000 1.015 541 A HN 0.276 nan 8.150 nan 0.000 0.498 542 E N 0.630 120.699 120.200 -0.218 0.000 2.072 542 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 542 E C -0.498 175.788 176.600 -0.524 0.000 0.985 542 E CA 1.514 57.665 56.400 -0.415 0.000 0.801 542 E CB -0.213 29.139 29.700 -0.581 0.000 0.750 542 E HN 0.671 nan 8.360 nan 0.000 0.452 543 Y N 0.254 120.491 120.300 -0.104 0.000 2.364 543 Y HA 0.488 5.038 4.550 0.001 0.000 0.340 543 Y C -0.222 175.456 175.900 -0.369 0.000 0.975 543 Y CA -1.237 56.730 58.100 -0.220 0.000 1.089 543 Y CB 1.617 40.067 38.460 -0.016 0.000 1.192 543 Y HN -0.158 nan 8.280 nan 0.000 0.454 544 N N 3.817 122.191 118.700 -0.544 0.000 2.295 544 N HA 0.542 5.282 4.740 -0.001 0.000 0.293 544 N C -1.562 173.406 175.510 -0.904 0.000 1.040 544 N CA -0.435 52.292 53.050 -0.538 0.000 0.840 544 N CB 2.192 40.460 38.487 -0.364 0.000 1.468 544 N HN 0.503 nan 8.380 nan 0.000 0.478 545 F N -0.391 119.473 119.950 -0.142 0.000 2.754 545 F HA 0.491 5.018 4.527 -0.000 0.000 0.320 545 F C -0.045 175.562 175.800 -0.323 0.000 1.156 545 F CA -0.682 57.204 58.000 -0.190 0.000 0.950 545 F CB 1.900 40.827 39.000 -0.122 0.000 1.388 545 F HN 0.118 nan 8.300 nan 0.000 0.485 546 S N -0.433 115.152 115.700 -0.192 0.000 2.575 546 S HA 0.690 5.160 4.470 -0.001 0.000 0.278 546 S C -0.781 173.670 174.600 -0.249 0.000 1.139 546 S CA -0.815 57.128 58.200 -0.427 0.000 0.954 546 S CB 1.897 64.253 63.200 -1.406 0.000 1.054 546 S HN 0.978 nan 8.310 nan 0.000 0.483 547 G N 3.768 112.536 108.800 -0.055 0.000 2.866 547 G HA2 0.618 4.577 3.960 -0.001 0.000 0.291 547 G HA3 0.618 4.577 3.960 -0.001 0.000 0.291 547 G C -3.279 171.621 174.900 -0.000 0.000 1.476 547 G CA -1.515 43.597 45.100 0.021 0.000 1.048 547 G HN 0.366 nan 8.290 nan 0.000 0.542 548 P HA 0.406 nan 4.420 nan 0.000 0.292 548 P C -1.057 176.256 177.300 0.021 0.000 1.283 548 P CA -0.638 62.466 63.100 0.008 0.000 0.835 548 P CB 2.579 34.343 31.700 0.108 0.000 1.017 549 Q N 0.853 120.576 119.800 -0.129 0.000 2.256 549 Q HA 0.610 4.950 4.340 -0.001 0.000 0.257 549 Q C 0.440 176.421 176.000 -0.031 0.000 0.936 549 Q CA -0.168 55.537 55.803 -0.163 0.000 0.903 549 Q CB 1.073 29.495 28.738 -0.526 0.000 1.263 549 Q HN 0.572 nan 8.270 nan 0.000 0.440 550 G N 0.714 109.395 108.800 -0.198 0.000 2.332 550 G HA2 0.564 4.523 3.960 -0.001 0.000 0.310 550 G HA3 0.564 4.523 3.960 -0.001 0.000 0.310 550 G C -1.038 173.800 174.900 -0.103 0.000 1.123 550 G CA -0.357 44.455 45.100 -0.481 0.000 0.873 550 G HN 0.400 nan 8.290 nan 0.000 0.460 551 V N 1.436 121.366 119.914 0.026 0.000 2.540 551 V HA 0.811 4.930 4.120 -0.001 0.000 0.302 551 V C 0.815 176.948 176.094 0.066 0.000 1.035 551 V CA 0.421 62.785 62.300 0.106 0.000 0.873 551 V CB 1.228 33.209 31.823 0.263 0.000 0.992 551 V HN 1.660 nan 8.190 nan 0.000 0.428 552 G N 3.235 112.066 108.800 0.052 0.000 2.151 552 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.156 552 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.156 552 G C 0.306 175.208 174.900 0.004 0.000 1.017 552 G CA -0.014 45.105 45.100 0.033 0.000 0.686 552 G HN 0.608 nan 8.290 nan 0.000 0.503 553 V N 0.474 120.379 119.914 -0.015 0.000 2.287 553 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 553 V C 3.220 179.207 176.094 -0.178 0.000 1.053 553 V CA 3.303 65.549 62.300 -0.090 0.000 1.027 553 V CB -0.967 30.792 31.823 -0.107 0.000 0.646 553 V HN 1.014 nan 8.190 nan 0.000 0.447 554 A N 0.402 123.154 122.820 -0.113 0.000 1.930 554 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 554 A C 1.994 179.565 177.584 -0.022 0.000 1.175 554 A CA 2.168 54.154 52.037 -0.085 0.000 0.627 554 A CB -0.803 18.309 19.000 0.186 0.000 0.815 554 A HN 0.677 nan 8.150 nan 0.000 0.443 555 N N -0.266 118.439 118.700 0.007 0.000 2.166 555 N HA -0.103 4.637 4.740 -0.001 0.000 0.186 555 N C 1.299 176.814 175.510 0.008 0.000 1.019 555 N CA 1.469 54.532 53.050 0.022 0.000 0.856 555 N CB -0.275 38.229 38.487 0.027 0.000 0.993 555 N HN 0.396 nan 8.380 nan 0.000 0.426 556 I N 0.420 120.983 120.570 -0.011 0.000 2.286 556 I HA -0.056 4.113 4.170 -0.001 0.000 0.245 556 I C 2.383 178.477 176.117 -0.038 0.000 1.104 556 I CA 0.968 62.263 61.300 -0.007 0.000 1.397 556 I CB -1.126 36.888 38.000 0.024 0.000 1.072 556 I HN 0.167 nan 8.210 nan 0.000 0.417 557 G N 0.009 108.753 108.800 -0.093 0.000 2.421 557 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 557 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 557 G C 1.375 176.267 174.900 -0.014 0.000 1.171 557 G CA 0.911 45.957 45.100 -0.090 0.000 0.775 557 G HN 0.304 nan 8.290 nan 0.000 0.543 558 D N 0.583 120.988 120.400 0.009 0.000 2.144 558 D HA -0.041 4.599 4.640 -0.001 0.000 0.199 558 D C 2.838 179.152 176.300 0.024 0.000 0.984 558 D CA 1.094 55.118 54.000 0.039 0.000 0.834 558 D CB -0.216 40.621 40.800 0.062 0.000 0.955 558 D HN 0.253 nan 8.370 nan 0.000 0.465 559 S N 0.322 116.037 115.700 0.025 0.000 2.371 559 S HA -0.010 4.460 4.470 -0.001 0.000 0.224 559 S C 2.212 176.827 174.600 0.024 0.000 1.029 559 S CA 0.372 58.591 58.200 0.032 0.000 0.978 559 S CB -0.105 63.124 63.200 0.048 0.000 0.833 559 S HN 0.224 nan 8.310 nan 0.000 0.466 560 L N 0.759 122.006 121.223 0.041 0.000 2.046 560 L HA -0.043 4.296 4.340 -0.001 0.000 0.208 560 L C 2.448 179.312 176.870 -0.011 0.000 1.077 560 L CA 0.893 55.801 54.840 0.114 0.000 0.747 560 L CB -0.556 41.599 42.059 0.160 0.000 0.896 560 L HN 0.215 nan 8.230 nan 0.000 0.432 561 V N -0.142 119.743 119.914 -0.048 0.000 2.515 561 V HA -0.211 3.909 4.120 -0.001 0.000 0.250 561 V C 2.557 178.574 176.094 -0.127 0.000 1.058 561 V CA 1.656 63.882 62.300 -0.122 0.000 1.064 561 V CB 0.031 31.823 31.823 -0.051 0.000 0.675 561 V HN 0.430 nan 8.190 nan 0.000 0.461 562 A N -0.679 122.099 122.820 -0.069 0.000 1.898 562 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 562 A C 2.319 179.857 177.584 -0.077 0.000 1.181 562 A CA 1.952 53.956 52.037 -0.055 0.000 0.620 562 A CB -0.658 18.333 19.000 -0.015 0.000 0.819 562 A HN 0.385 nan 8.150 nan 0.000 0.442 563 V N 0.445 120.306 119.914 -0.089 0.000 2.295 563 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 563 V C 2.573 178.645 176.094 -0.037 0.000 1.049 563 V CA 2.424 64.673 62.300 -0.085 0.000 1.024 563 V CB -0.639 31.040 31.823 -0.240 0.000 0.648 563 V HN 0.705 nan 8.190 nan 0.000 0.447 564 K N 0.031 120.253 120.400 -0.298 0.000 2.026 564 K HA -0.219 4.101 4.320 -0.001 0.000 0.208 564 K C 2.211 178.699 176.600 -0.187 0.000 1.048 564 K CA 1.687 57.661 56.287 -0.522 0.000 0.929 564 K CB -0.069 31.630 32.500 -1.336 0.000 0.713 564 K HN 0.417 nan 8.250 nan 0.000 0.439 565 K N 0.128 120.424 120.400 -0.172 0.000 2.005 565 K HA -0.003 4.317 4.320 -0.001 0.000 0.206 565 K C 2.124 178.684 176.600 -0.067 0.000 1.044 565 K CA 0.943 57.172 56.287 -0.097 0.000 0.942 565 K CB -0.024 32.424 32.500 -0.087 0.000 0.727 565 K HN 0.099 nan 8.250 nan 0.000 0.439 566 I N 1.101 121.628 120.570 -0.072 0.000 2.315 566 I HA -0.165 4.004 4.170 -0.001 0.000 0.248 566 I C 2.238 178.294 176.117 -0.102 0.000 1.117 566 I CA 1.303 62.562 61.300 -0.068 0.000 1.404 566 I CB -0.770 37.199 38.000 -0.052 0.000 1.071 566 I HN -0.061 nan 8.210 nan 0.000 0.419 567 V N -0.307 119.515 119.914 -0.154 0.000 2.403 567 V HA -0.058 4.062 4.120 -0.001 0.000 0.239 567 V C 2.139 177.999 176.094 -0.389 0.000 1.041 567 V CA 1.179 63.282 62.300 -0.328 0.000 1.051 567 V CB -0.608 30.906 31.823 -0.516 0.000 0.704 567 V HN 0.096 nan 8.190 nan 0.000 0.472 568 F N 0.350 120.289 119.950 -0.018 0.000 2.387 568 F HA 0.026 4.552 4.527 -0.001 0.000 0.294 568 F C 2.205 177.996 175.800 -0.014 0.000 1.093 568 F CA 0.962 58.965 58.000 0.006 0.000 1.420 568 F CB -0.149 38.894 39.000 0.071 0.000 1.086 568 F HN 0.161 nan 8.300 nan 0.000 0.531 569 D N 0.104 120.569 120.400 0.108 0.000 2.202 569 D HA -0.063 4.576 4.640 -0.001 0.000 0.214 569 D C 1.744 178.054 176.300 0.016 0.000 0.967 569 D CA 1.148 55.178 54.000 0.050 0.000 0.871 569 D CB -0.303 40.499 40.800 0.004 0.000 1.020 569 D HN 0.351 nan 8.370 nan 0.000 0.474 570 E N 0.389 120.582 120.200 -0.011 0.000 2.447 570 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 570 E C -0.180 176.402 176.600 -0.031 0.000 1.028 570 E CA -0.135 56.253 56.400 -0.020 0.000 0.876 570 E CB 0.198 29.881 29.700 -0.028 0.000 0.885 570 E HN 0.094 nan 8.360 nan 0.000 0.500 571 N N 1.457 120.127 118.700 -0.050 0.000 2.721 571 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 571 N C 0.585 176.054 175.510 -0.067 0.000 1.072 571 N CA 0.585 53.592 53.050 -0.072 0.000 0.710 571 N CB -0.561 37.899 38.487 -0.045 0.000 0.993 571 N HN 0.173 nan 8.380 nan 0.000 0.547 572 K N 0.273 120.633 120.400 -0.065 0.000 2.097 572 K HA 0.065 4.385 4.320 -0.001 0.000 0.205 572 K C 1.422 177.989 176.600 -0.056 0.000 1.050 572 K CA 1.109 57.365 56.287 -0.051 0.000 0.938 572 K CB 0.211 32.685 32.500 -0.043 0.000 0.718 572 K HN 0.717 nan 8.250 nan 0.000 0.442 573 I N -2.555 117.968 120.570 -0.079 0.000 2.994 573 I HA 0.295 4.464 4.170 -0.001 0.000 0.306 573 I C -0.172 175.863 176.117 -0.137 0.000 1.195 573 I CA -1.118 60.134 61.300 -0.080 0.000 1.001 573 I CB 2.237 40.208 38.000 -0.049 0.000 1.244 573 I HN -0.157 nan 8.210 nan 0.000 0.437 574 T N -0.052 114.421 114.554 -0.137 0.000 2.874 574 T HA 0.464 4.814 4.350 -0.001 0.000 0.281 574 T C -2.043 172.489 174.700 -0.280 0.000 0.994 574 T CA -1.609 60.368 62.100 -0.205 0.000 1.015 574 T CB 1.325 70.101 68.868 -0.154 0.000 1.028 574 T HN 0.490 nan 8.240 nan 0.000 0.523 575 P HA -0.071 nan 4.420 nan 0.000 0.215 575 P C 1.804 178.852 177.300 -0.420 0.000 1.153 575 P CA 1.049 63.638 63.100 -0.851 0.000 0.853 575 P CB -0.097 30.831 31.700 -1.286 0.000 0.788 576 S N -0.364 115.183 115.700 -0.255 0.000 2.370 576 S HA -0.200 4.269 4.470 -0.001 0.000 0.226 576 S C 1.783 176.365 174.600 -0.030 0.000 1.033 576 S CA 1.356 59.500 58.200 -0.093 0.000 1.011 576 S CB -0.849 62.305 63.200 -0.077 0.000 0.852 576 S HN 0.370 nan 8.310 nan 0.000 0.457 577 E N 0.591 120.761 120.200 -0.049 0.000 2.077 577 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 577 E C 2.112 178.729 176.600 0.029 0.000 0.989 577 E CA 0.918 57.311 56.400 -0.012 0.000 0.800 577 E CB -0.247 29.437 29.700 -0.026 0.000 0.746 577 E HN 0.260 nan 8.360 nan 0.000 0.452 578 L N 1.839 123.092 121.223 0.050 0.000 2.017 578 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 578 L C 2.273 179.229 176.870 0.144 0.000 1.073 578 L CA 1.875 56.789 54.840 0.123 0.000 0.745 578 L CB -0.340 41.838 42.059 0.199 0.000 0.894 578 L HN -0.087 nan 8.230 nan 0.000 0.432 579 K N -0.421 120.111 120.400 0.220 0.000 2.032 579 K HA -0.240 4.080 4.320 -0.001 0.000 0.209 579 K C 2.128 178.773 176.600 0.075 0.000 1.048 579 K CA 1.883 58.290 56.287 0.199 0.000 0.927 579 K CB -0.084 32.586 32.500 0.284 0.000 0.712 579 K HN 0.336 nan 8.250 nan 0.000 0.441 580 K N -0.366 120.064 120.400 0.051 0.000 2.057 580 K HA -0.073 4.247 4.320 -0.001 0.000 0.206 580 K C 2.130 178.717 176.600 -0.021 0.000 1.050 580 K CA 1.812 58.107 56.287 0.014 0.000 0.935 580 K CB -0.109 32.399 32.500 0.014 0.000 0.715 580 K HN 0.212 nan 8.250 nan 0.000 0.439 581 T N 2.128 116.673 114.554 -0.016 0.000 2.746 581 T HA -0.100 4.249 4.350 -0.001 0.000 0.267 581 T C 1.901 176.446 174.700 -0.258 0.000 1.039 581 T CA 1.066 63.133 62.100 -0.055 0.000 1.142 581 T CB -0.194 68.706 68.868 0.054 0.000 0.866 581 T HN 0.097 nan 8.240 nan 0.000 0.444 582 L N 1.131 122.202 121.223 -0.254 0.000 2.056 582 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 582 L C 2.502 179.204 176.870 -0.280 0.000 1.078 582 L CA 0.955 55.557 54.840 -0.396 0.000 0.749 582 L CB -0.604 41.336 42.059 -0.198 0.000 0.901 582 L HN 0.210 nan 8.230 nan 0.000 0.433 583 N N 0.269 118.884 118.700 -0.142 0.000 2.453 583 N HA -0.119 4.621 4.740 -0.001 0.000 0.183 583 N C 0.962 176.413 175.510 -0.099 0.000 1.041 583 N CA 0.848 53.842 53.050 -0.092 0.000 0.900 583 N CB -0.231 38.238 38.487 -0.029 0.000 0.961 583 N HN 0.411 nan 8.380 nan 0.000 0.443 584 N N 0.801 119.427 118.700 -0.124 0.000 2.230 584 N HA -0.035 4.704 4.740 -0.001 0.000 0.202 584 N C -0.418 175.020 175.510 -0.121 0.000 1.119 584 N CA 0.036 53.032 53.050 -0.090 0.000 0.851 584 N CB 0.371 38.828 38.487 -0.050 0.000 0.990 584 N HN 0.044 nan 8.380 nan 0.000 0.497 585 D N 0.366 120.620 120.400 -0.242 0.000 2.723 585 D HA -0.255 4.384 4.640 -0.001 0.000 0.236 585 D C -0.537 175.679 176.300 -0.140 0.000 1.138 585 D CA 0.325 54.159 54.000 -0.277 0.000 0.676 585 D CB -1.786 38.961 40.800 -0.088 0.000 1.069 585 D HN 0.340 nan 8.370 nan 0.000 0.430 586 F N -3.245 116.708 119.950 0.005 0.000 3.006 586 F HA -0.335 4.191 4.527 -0.001 0.000 0.289 586 F C 1.269 177.070 175.800 0.002 0.000 0.772 586 F CA 1.065 59.067 58.000 0.003 0.000 1.162 586 F CB -1.563 37.437 39.000 0.001 0.000 1.382 586 F HN 0.250 nan 8.300 nan 0.000 0.406 587 K N 2.063 122.526 120.400 0.105 0.000 2.436 587 K HA 0.033 4.353 4.320 -0.001 0.000 0.282 587 K C 0.934 177.573 176.600 0.065 0.000 1.044 587 K CA 0.491 56.821 56.287 0.072 0.000 1.028 587 K CB 0.168 32.687 32.500 0.032 0.000 0.919 587 K HN 0.330 nan 8.250 nan 0.000 0.474 588 N N 1.888 120.624 118.700 0.060 0.000 2.741 588 N HA -0.169 4.570 4.740 -0.001 0.000 0.250 588 N C -0.968 174.574 175.510 0.053 0.000 1.115 588 N CA 1.534 54.611 53.050 0.045 0.000 0.724 588 N CB -1.537 36.969 38.487 0.030 0.000 1.090 588 N HN 0.673 nan 8.380 nan 0.000 0.558 589 S N -2.747 113.003 115.700 0.083 0.000 2.949 589 S HA 0.259 4.728 4.470 -0.001 0.000 0.246 589 S C 0.688 175.341 174.600 0.089 0.000 0.899 589 S CA -0.729 57.526 58.200 0.090 0.000 1.091 589 S CB 0.452 63.725 63.200 0.121 0.000 1.199 589 S HN 0.193 nan 8.310 nan 0.000 0.507 590 E N 2.178 122.405 120.200 0.045 0.000 2.267 590 E HA -0.187 4.162 4.350 -0.001 0.000 0.197 590 E C 2.096 178.670 176.600 -0.043 0.000 0.998 590 E CA 1.365 57.757 56.400 -0.014 0.000 0.830 590 E CB 0.015 29.706 29.700 -0.015 0.000 0.751 590 E HN 0.794 nan 8.360 nan 0.000 0.491 591 E N 1.166 121.357 120.200 -0.015 0.000 2.152 591 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 591 E C 1.923 178.507 176.600 -0.027 0.000 0.983 591 E CA 0.893 57.279 56.400 -0.023 0.000 0.818 591 E CB -0.259 29.435 29.700 -0.010 0.000 0.758 591 E HN 0.372 nan 8.360 nan 0.000 0.467 592 I N 1.141 121.711 120.570 0.001 0.000 2.333 592 I HA -0.205 3.965 4.170 -0.001 0.000 0.246 592 I C 2.974 179.067 176.117 -0.040 0.000 1.106 592 I CA 1.147 62.459 61.300 0.020 0.000 1.411 592 I CB -0.297 37.761 38.000 0.097 0.000 1.082 592 I HN 0.157 nan 8.210 nan 0.000 0.420 593 Q N 1.390 121.096 119.800 -0.157 0.000 2.124 593 Q HA -0.219 4.120 4.340 -0.001 0.000 0.202 593 Q C 2.283 178.098 176.000 -0.308 0.000 0.977 593 Q CA 1.881 57.374 55.803 -0.516 0.000 0.850 593 Q CB -0.050 28.133 28.738 -0.924 0.000 0.901 593 Q HN 0.522 nan 8.270 nan 0.000 0.429 594 A N 0.557 123.266 122.820 -0.186 0.000 1.933 594 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 594 A C 1.948 179.477 177.584 -0.092 0.000 1.175 594 A CA 1.082 53.044 52.037 -0.125 0.000 0.628 594 A CB -0.603 18.346 19.000 -0.085 0.000 0.814 594 A HN 0.453 nan 8.150 nan 0.000 0.444 595 L N -0.183 120.996 121.223 -0.075 0.000 2.046 595 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 595 L C 2.396 179.237 176.870 -0.050 0.000 1.077 595 L CA 1.573 56.383 54.840 -0.050 0.000 0.747 595 L CB -0.527 41.511 42.059 -0.034 0.000 0.896 595 L HN 0.424 nan 8.230 nan 0.000 0.432 596 L N -1.176 120.010 121.223 -0.061 0.000 2.027 596 L HA -0.222 4.118 4.340 -0.001 0.000 0.206 596 L C 2.480 179.317 176.870 -0.054 0.000 1.074 596 L CA 1.277 56.091 54.840 -0.044 0.000 0.745 596 L CB -0.630 41.414 42.059 -0.026 0.000 0.898 596 L HN 0.193 nan 8.230 nan 0.000 0.433 597 K N 0.034 120.378 120.400 -0.092 0.000 2.147 597 K HA -0.110 4.210 4.320 -0.001 0.000 0.205 597 K C 1.513 178.086 176.600 -0.045 0.000 1.049 597 K CA 1.011 57.254 56.287 -0.074 0.000 0.936 597 K CB -0.161 32.277 32.500 -0.103 0.000 0.722 597 K HN 0.293 nan 8.250 nan 0.000 0.446 598 N N 0.566 119.238 118.700 -0.046 0.000 2.461 598 N HA 0.025 4.764 4.740 -0.001 0.000 0.188 598 N C 0.118 175.615 175.510 -0.023 0.000 1.134 598 N CA 0.158 53.188 53.050 -0.032 0.000 0.878 598 N CB 0.153 38.619 38.487 -0.034 0.000 0.972 598 N HN 0.120 nan 8.380 nan 0.000 0.456 599 A N 1.789 124.596 122.820 -0.022 0.000 2.406 599 A HA 0.351 4.670 4.320 -0.001 0.000 0.243 599 A C -2.116 175.466 177.584 -0.004 0.000 1.082 599 A CA -0.873 51.153 52.037 -0.017 0.000 0.786 599 A CB -0.376 18.612 19.000 -0.021 0.000 1.029 599 A HN -0.031 nan 8.150 nan 0.000 0.495 600 P HA 0.099 nan 4.420 nan 0.000 0.264 600 P C -0.638 176.686 177.300 0.041 0.000 1.183 600 P CA 0.412 63.523 63.100 0.018 0.000 0.763 600 P CB 0.343 32.053 31.700 0.016 0.000 0.807 601 K N 2.839 123.271 120.400 0.055 0.000 2.207 601 K HA 0.366 4.685 4.320 -0.001 0.000 0.255 601 K C -0.279 176.406 176.600 0.142 0.000 0.941 601 K CA -0.938 55.406 56.287 0.094 0.000 0.825 601 K CB 1.129 33.670 32.500 0.069 0.000 1.119 601 K HN 0.341 nan 8.250 nan 0.000 0.430 602 F N 0.971 120.935 119.950 0.023 0.000 2.572 602 F HA 0.249 4.775 4.527 -0.001 0.000 0.370 602 F C 1.209 177.031 175.800 0.036 0.000 1.103 602 F CA 1.595 59.612 58.000 0.029 0.000 1.286 602 F CB 0.289 39.307 39.000 0.030 0.000 1.105 602 F HN 0.843 nan 8.300 nan 0.000 0.583 603 G N 4.103 112.523 108.800 -0.633 0.000 2.154 603 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.186 603 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.186 603 G C 0.308 175.089 174.900 -0.198 0.000 1.000 603 G CA 0.090 44.891 45.100 -0.499 0.000 0.664 603 G HN 0.662 nan 8.290 nan 0.000 0.513 604 N N 0.785 119.409 118.700 -0.126 0.000 2.238 604 N HA 0.207 4.946 4.740 -0.001 0.000 0.235 604 N C 0.367 175.858 175.510 -0.032 0.000 1.209 604 N CA 0.389 53.410 53.050 -0.049 0.000 0.879 604 N CB 0.560 39.039 38.487 -0.014 0.000 1.136 604 N HN 0.266 nan 8.380 nan 0.000 0.517 605 D N 1.005 121.375 120.400 -0.051 0.000 2.870 605 D HA -0.170 4.469 4.640 -0.001 0.000 0.228 605 D C -0.648 175.661 176.300 0.016 0.000 1.147 605 D CA 0.540 54.533 54.000 -0.011 0.000 0.757 605 D CB -1.456 39.344 40.800 0.000 0.000 1.091 605 D HN 0.391 nan 8.370 nan 0.000 0.429 606 I N 0.793 121.378 120.570 0.025 0.000 2.306 606 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 606 I C 1.394 177.548 176.117 0.061 0.000 1.036 606 I CA -0.894 60.429 61.300 0.038 0.000 1.221 606 I CB 1.254 39.275 38.000 0.036 0.000 1.385 606 I HN -0.180 nan 8.210 nan 0.000 0.472 607 D N 3.974 124.408 120.400 0.056 0.000 2.149 607 D HA -0.231 4.408 4.640 -0.001 0.000 0.198 607 D C 1.778 178.119 176.300 0.067 0.000 0.990 607 D CA 1.389 55.429 54.000 0.068 0.000 0.839 607 D CB 0.177 41.010 40.800 0.055 0.000 0.948 607 D HN 0.654 nan 8.370 nan 0.000 0.460 608 E N 0.291 120.519 120.200 0.047 0.000 2.070 608 E HA -0.187 4.162 4.350 -0.001 0.000 0.197 608 E C 2.015 178.639 176.600 0.040 0.000 1.004 608 E CA 1.174 57.593 56.400 0.031 0.000 0.805 608 E CB 0.027 29.733 29.700 0.010 0.000 0.744 608 E HN 0.114 nan 8.360 nan 0.000 0.451 609 V N 0.482 120.435 119.914 0.065 0.000 2.599 609 V HA -0.112 4.007 4.120 -0.001 0.000 0.245 609 V C 1.232 177.416 176.094 0.150 0.000 1.046 609 V CA 1.873 64.226 62.300 0.089 0.000 1.065 609 V CB -0.210 31.677 31.823 0.105 0.000 0.703 609 V HN 0.234 nan 8.190 nan 0.000 0.464 610 D N 0.955 121.481 120.400 0.210 0.000 2.123 610 D HA -0.163 4.476 4.640 -0.001 0.000 0.196 610 D C 1.886 178.293 176.300 0.180 0.000 0.992 610 D CA 1.526 55.711 54.000 0.309 0.000 0.833 610 D CB -0.419 40.539 40.800 0.262 0.000 0.954 610 D HN 0.452 nan 8.370 nan 0.000 0.455 611 N N 0.084 118.858 118.700 0.123 0.000 2.381 611 N HA -0.033 4.706 4.740 -0.001 0.000 0.182 611 N C 1.858 177.413 175.510 0.076 0.000 1.025 611 N CA 0.216 53.322 53.050 0.094 0.000 0.888 611 N CB -0.010 38.526 38.487 0.082 0.000 0.965 611 N HN 0.286 nan 8.380 nan 0.000 0.438 612 L N 0.101 121.363 121.223 0.066 0.000 2.270 612 L HA 0.089 4.429 4.340 -0.001 0.000 0.210 612 L C 2.253 179.127 176.870 0.006 0.000 1.104 612 L CA 0.339 55.215 54.840 0.061 0.000 0.804 612 L CB -0.223 41.874 42.059 0.063 0.000 0.937 612 L HN 0.062 nan 8.230 nan 0.000 0.450 613 A N 0.304 123.090 122.820 -0.056 0.000 1.898 613 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 613 A C 2.408 179.920 177.584 -0.120 0.000 1.181 613 A CA 1.469 53.379 52.037 -0.213 0.000 0.620 613 A CB -0.469 18.164 19.000 -0.611 0.000 0.819 613 A HN 0.321 nan 8.150 nan 0.000 0.442 614 R N -0.328 120.151 120.500 -0.036 0.000 2.070 614 R HA -0.215 4.125 4.340 -0.001 0.000 0.233 614 R C 2.138 178.460 176.300 0.036 0.000 1.137 614 R CA 2.052 58.159 56.100 0.011 0.000 0.945 614 R CB -0.303 30.032 30.300 0.058 0.000 0.845 614 R HN 0.451 nan 8.270 nan 0.000 0.430 615 E N -0.207 120.027 120.200 0.056 0.000 2.106 615 E HA -0.079 4.270 4.350 -0.001 0.000 0.192 615 E C 1.766 178.434 176.600 0.115 0.000 0.984 615 E CA 1.721 58.171 56.400 0.082 0.000 0.806 615 E CB -0.608 29.148 29.700 0.093 0.000 0.750 615 E HN 0.509 nan 8.360 nan 0.000 0.458 616 G N 0.229 109.085 108.800 0.092 0.000 2.418 616 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 616 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 616 G C 1.694 176.728 174.900 0.224 0.000 1.158 616 G CA 1.126 46.319 45.100 0.155 0.000 0.771 616 G HN 0.445 nan 8.290 nan 0.000 0.545 617 A N 0.278 123.166 122.820 0.112 0.000 1.929 617 A HA 0.226 4.545 4.320 -0.001 0.000 0.216 617 A C 2.389 180.060 177.584 0.146 0.000 1.176 617 A CA 0.903 53.009 52.037 0.114 0.000 0.628 617 A CB -0.317 18.700 19.000 0.029 0.000 0.816 617 A HN 0.341 nan 8.150 nan 0.000 0.444 618 L N -0.434 120.852 121.223 0.105 0.000 2.131 618 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 618 L C 2.451 179.363 176.870 0.070 0.000 1.092 618 L CA 0.751 55.638 54.840 0.078 0.000 0.759 618 L CB -0.347 41.749 42.059 0.062 0.000 0.903 618 L HN 0.252 nan 8.230 nan 0.000 0.435 619 V N -0.935 119.050 119.914 0.118 0.000 2.343 619 V HA -0.341 3.778 4.120 -0.001 0.000 0.247 619 V C 2.166 178.261 176.094 0.000 0.000 1.051 619 V CA 1.966 64.309 62.300 0.071 0.000 1.036 619 V CB -0.670 31.243 31.823 0.150 0.000 0.654 619 V HN 0.450 nan 8.190 nan 0.000 0.451 620 Y N 0.459 120.713 120.300 -0.077 0.000 2.114 620 Y HA -0.270 4.279 4.550 -0.001 0.000 0.284 620 Y C 2.590 178.402 175.900 -0.147 0.000 1.143 620 Y CA 1.796 59.792 58.100 -0.172 0.000 1.135 620 Y CB -0.828 37.543 38.460 -0.149 0.000 0.980 620 Y HN 0.238 nan 8.280 nan 0.000 0.499 621 C N 1.025 120.236 119.300 -0.149 0.000 2.413 621 C HA -0.176 4.283 4.460 -0.001 0.000 0.276 621 C C 2.688 177.558 174.990 -0.201 0.000 1.248 621 C CA 1.486 60.380 59.018 -0.207 0.000 1.742 621 C CB -1.299 26.431 27.740 -0.016 0.000 2.017 621 C HN 0.544 nan 8.230 nan 0.000 0.481 622 R N 0.536 120.957 120.500 -0.131 0.000 2.115 622 R HA -0.089 4.251 4.340 -0.001 0.000 0.230 622 R C 2.124 178.334 176.300 -0.151 0.000 1.111 622 R CA 0.934 56.968 56.100 -0.110 0.000 0.976 622 R CB -0.223 30.036 30.300 -0.069 0.000 0.870 622 R HN 0.574 nan 8.270 nan 0.000 0.445 623 E N 0.451 120.529 120.200 -0.204 0.000 2.047 623 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 623 E C 2.214 178.727 176.600 -0.144 0.000 0.987 623 E CA 0.947 57.239 56.400 -0.180 0.000 0.799 623 E CB -0.292 29.276 29.700 -0.221 0.000 0.752 623 E HN 0.088 nan 8.360 nan 0.000 0.449 624 V N 2.607 122.325 119.914 -0.327 0.000 2.332 624 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 624 V C 1.854 177.931 176.094 -0.029 0.000 1.055 624 V CA 1.771 63.925 62.300 -0.244 0.000 1.038 624 V CB -0.639 30.927 31.823 -0.427 0.000 0.651 624 V HN 0.191 nan 8.190 nan 0.000 0.450 625 N N 0.174 118.829 118.700 -0.076 0.000 2.430 625 N HA -0.146 4.594 4.740 -0.001 0.000 0.186 625 N C 1.670 177.127 175.510 -0.087 0.000 1.032 625 N CA 1.002 54.033 53.050 -0.032 0.000 0.893 625 N CB -0.296 38.163 38.487 -0.047 0.000 0.957 625 N HN 0.553 nan 8.380 nan 0.000 0.442 626 K N -0.670 119.600 120.400 -0.216 0.000 2.365 626 K HA -0.046 4.274 4.320 -0.001 0.000 0.199 626 K C -0.093 176.109 176.600 -0.664 0.000 1.045 626 K CA 0.595 56.598 56.287 -0.472 0.000 0.962 626 K CB 0.062 32.137 32.500 -0.708 0.000 0.759 626 K HN 0.216 nan 8.250 nan 0.000 0.469 627 Y N 0.538 120.697 120.300 -0.236 0.000 2.376 627 Y HA 0.191 4.740 4.550 -0.001 0.000 0.325 627 Y C 0.824 176.732 175.900 0.012 0.000 1.199 627 Y CA -0.854 57.067 58.100 -0.298 0.000 1.206 627 Y CB 1.383 39.333 38.460 -0.850 0.000 1.229 627 Y HN -0.121 nan 8.280 nan 0.000 0.480 628 T N -1.104 113.570 114.554 0.199 0.000 2.916 628 T HA 0.622 4.972 4.350 -0.001 0.000 0.292 628 T C -0.766 174.127 174.700 0.321 0.000 1.055 628 T CA -1.146 61.109 62.100 0.258 0.000 1.009 628 T CB 1.664 70.572 68.868 0.066 0.000 1.118 628 T HN 0.661 nan 8.240 nan 0.000 0.497 629 N N 0.016 118.808 118.700 0.153 0.000 2.518 629 N HA 0.554 5.294 4.740 -0.001 0.000 0.284 629 N C -2.433 173.014 175.510 -0.105 0.000 1.230 629 N CA -2.412 50.644 53.050 0.008 0.000 0.941 629 N CB 0.138 38.456 38.487 -0.282 0.000 1.219 629 N HN 0.232 nan 8.380 nan 0.000 0.560 630 P HA -0.022 nan 4.420 nan 0.000 0.228 630 P C 0.267 177.458 177.300 -0.183 0.000 1.151 630 P CA 1.059 64.060 63.100 -0.165 0.000 0.770 630 P CB 0.176 31.765 31.700 -0.186 0.000 0.786 631 R N -1.486 118.875 120.500 -0.233 0.000 2.356 631 R HA 0.292 4.631 4.340 -0.001 0.000 0.234 631 R C 1.172 177.355 176.300 -0.196 0.000 0.929 631 R CA 0.542 56.506 56.100 -0.227 0.000 1.084 631 R CB -0.393 29.735 30.300 -0.287 0.000 1.105 631 R HN 0.102 nan 8.270 nan 0.000 0.515 632 G N 0.210 108.914 108.800 -0.161 0.000 2.148 632 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.254 632 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.254 632 G C 0.313 175.128 174.900 -0.142 0.000 0.981 632 G CA 0.020 45.041 45.100 -0.131 0.000 0.670 632 G HN 0.538 nan 8.290 nan 0.000 0.528 633 G N -0.922 107.771 108.800 -0.180 0.000 2.491 633 G HA2 0.569 4.528 3.960 -0.001 0.000 0.327 633 G HA3 0.569 4.528 3.960 -0.001 0.000 0.327 633 G C -0.270 174.591 174.900 -0.065 0.000 1.189 633 G CA -0.642 44.333 45.100 -0.209 0.000 0.956 633 G HN 0.226 nan 8.290 nan 0.000 0.491 634 N N -0.665 118.051 118.700 0.027 0.000 2.487 634 N HA 0.342 5.081 4.740 -0.001 0.000 0.292 634 N C -0.909 174.760 175.510 0.265 0.000 1.108 634 N CA -0.253 52.910 53.050 0.188 0.000 0.956 634 N CB 1.533 40.141 38.487 0.202 0.000 1.176 634 N HN 0.167 nan 8.380 nan 0.000 0.484 635 F N 0.928 120.934 119.950 0.093 0.000 2.418 635 F HA 0.147 4.673 4.527 -0.001 0.000 0.341 635 F C 0.842 176.682 175.800 0.067 0.000 1.120 635 F CA -0.034 58.014 58.000 0.081 0.000 1.232 635 F CB 0.716 39.744 39.000 0.047 0.000 1.175 635 F HN 0.290 nan 8.300 nan 0.000 0.569 636 Q N 3.951 123.856 119.800 0.176 0.000 2.289 636 Q HA 0.508 4.848 4.340 -0.001 0.000 0.270 636 Q C -3.205 172.828 176.000 0.054 0.000 1.038 636 Q CA -2.296 53.551 55.803 0.075 0.000 0.812 636 Q CB 2.686 31.410 28.738 -0.024 0.000 1.300 636 Q HN 0.221 nan 8.270 nan 0.000 0.427 637 P HA 0.324 nan 4.420 nan 0.000 0.277 637 P C -0.511 176.831 177.300 0.069 0.000 1.240 637 P CA 0.059 63.181 63.100 0.038 0.000 0.798 637 P CB 1.541 33.216 31.700 -0.042 0.000 0.979 638 G N 1.046 109.905 108.800 0.098 0.000 2.658 638 G HA2 0.653 4.612 3.960 -0.001 0.000 0.292 638 G HA3 0.653 4.612 3.960 -0.001 0.000 0.292 638 G C -1.457 173.468 174.900 0.043 0.000 1.320 638 G CA -0.886 44.251 45.100 0.061 0.000 0.933 638 G HN 0.409 nan 8.290 nan 0.000 0.476 639 L N 1.526 122.784 121.223 0.060 0.000 2.480 639 L HA 0.372 4.711 4.340 -0.001 0.000 0.253 639 L C -1.277 175.700 176.870 0.179 0.000 1.324 639 L CA -0.729 54.146 54.840 0.059 0.000 0.916 639 L CB 0.373 42.465 42.059 0.055 0.000 1.160 639 L HN 0.708 nan 8.230 nan 0.000 0.503 640 Y N 0.594 120.973 120.300 0.130 0.000 2.588 640 Y HA 0.770 5.319 4.550 -0.001 0.000 0.343 640 Y C -2.841 173.207 175.900 0.247 0.000 1.065 640 Y CA -2.076 56.124 58.100 0.166 0.000 1.038 640 Y CB 1.688 40.233 38.460 0.143 0.000 1.297 640 Y HN -0.027 nan 8.280 nan 0.000 0.467 641 P HA 0.181 nan 4.420 nan 0.000 0.310 641 P C 0.386 177.685 177.300 -0.002 0.000 1.351 641 P CA 0.798 63.977 63.100 0.132 0.000 1.116 641 P CB 1.437 33.145 31.700 0.013 0.000 1.589 642 S N 1.386 117.289 115.700 0.337 0.000 4.059 642 S HA -0.225 4.245 4.470 -0.001 0.000 0.624 642 S C 1.047 175.762 174.600 0.193 0.000 2.019 642 S CA 2.419 60.828 58.200 0.348 0.000 4.197 642 S CB -1.870 61.438 63.200 0.181 0.000 0.215 642 S HN 0.473 nan 8.310 nan 0.000 0.609 643 S N 0.335 116.046 115.700 0.019 0.000 2.593 643 S HA 0.419 4.888 4.470 -0.001 0.000 0.236 643 S C 1.350 175.827 174.600 -0.205 0.000 0.991 643 S CA 0.516 58.703 58.200 -0.021 0.000 0.963 643 S CB 0.098 63.340 63.200 0.070 0.000 0.865 643 S HN 0.660 nan 8.310 nan 0.000 0.488 644 I N 3.387 123.669 120.570 -0.480 0.000 3.001 644 I HA -0.161 4.008 4.170 -0.001 0.000 0.268 644 I C 2.141 177.983 176.117 -0.459 0.000 1.267 644 I CA 0.959 61.855 61.300 -0.674 0.000 1.472 644 I CB -0.155 36.970 38.000 -1.458 0.000 1.089 644 I HN 0.473 nan 8.210 nan 0.000 0.468 645 N N 0.706 119.256 118.700 -0.250 0.000 2.289 645 N HA -0.160 4.579 4.740 -0.001 0.000 0.184 645 N C 1.597 177.098 175.510 -0.015 0.000 1.016 645 N CA 1.419 54.425 53.050 -0.072 0.000 0.872 645 N CB -0.721 37.759 38.487 -0.011 0.000 0.973 645 N HN 0.268 nan 8.380 nan 0.000 0.433 646 V N 0.606 120.505 119.914 -0.025 0.000 2.283 646 V HA -0.191 3.928 4.120 -0.001 0.000 0.243 646 V C 2.280 178.405 176.094 0.051 0.000 1.039 646 V CA 1.382 63.691 62.300 0.015 0.000 1.016 646 V CB -1.004 30.827 31.823 0.013 0.000 0.650 646 V HN 0.188 nan 8.190 nan 0.000 0.449 647 Y N 0.221 120.467 120.300 -0.090 0.000 2.128 647 Y HA -0.234 4.315 4.550 -0.001 0.000 0.284 647 Y C 2.258 178.190 175.900 0.053 0.000 1.154 647 Y CA 1.325 59.394 58.100 -0.052 0.000 1.149 647 Y CB -0.587 37.812 38.460 -0.102 0.000 0.976 647 Y HN 0.203 nan 8.280 nan 0.000 0.505 648 F N -0.389 119.414 119.950 -0.246 0.000 2.161 648 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 648 F C 2.530 178.167 175.800 -0.273 0.000 1.089 648 F CA 0.514 58.314 58.000 -0.334 0.000 1.282 648 F CB -0.623 38.238 39.000 -0.232 0.000 1.010 648 F HN 0.236 nan 8.300 nan 0.000 0.485 649 G N -0.269 108.545 108.800 0.024 0.000 2.422 649 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.218 649 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.218 649 G C 1.647 176.506 174.900 -0.069 0.000 1.146 649 G CA 1.040 46.126 45.100 -0.024 0.000 0.769 649 G HN 0.447 nan 8.290 nan 0.000 0.547 650 S N 0.165 115.810 115.700 -0.091 0.000 2.447 650 S HA 0.092 4.562 4.470 -0.001 0.000 0.233 650 S C 2.004 176.511 174.600 -0.155 0.000 1.006 650 S CA 0.716 58.857 58.200 -0.098 0.000 0.957 650 S CB -0.208 62.952 63.200 -0.066 0.000 0.773 650 S HN 0.280 nan 8.310 nan 0.000 0.507 651 L N 1.143 122.224 121.223 -0.236 0.000 2.607 651 L HA 0.274 4.613 4.340 -0.001 0.000 0.228 651 L C -0.026 176.712 176.870 -0.219 0.000 1.123 651 L CA -0.029 54.659 54.840 -0.253 0.000 0.890 651 L CB -0.019 41.823 42.059 -0.361 0.000 1.103 651 L HN 0.211 nan 8.230 nan 0.000 0.468 652 T N 0.059 114.507 114.554 -0.178 0.000 2.797 652 T HA 0.516 4.865 4.350 -0.001 0.000 0.279 652 T C 0.607 175.240 174.700 -0.111 0.000 0.991 652 T CA -0.463 61.541 62.100 -0.160 0.000 0.979 652 T CB 2.034 70.810 68.868 -0.153 0.000 0.943 652 T HN 0.221 nan 8.240 nan 0.000 0.444 653 G N 1.339 110.073 108.800 -0.110 0.000 2.611 653 G HA2 0.516 4.475 3.960 -0.001 0.000 0.273 653 G HA3 0.516 4.475 3.960 -0.001 0.000 0.273 653 G C 0.201 175.056 174.900 -0.075 0.000 1.305 653 G CA -0.611 44.433 45.100 -0.093 0.000 1.010 653 G HN 1.009 nan 8.290 nan 0.000 0.509 654 A N -0.527 122.232 122.820 -0.101 0.000 2.498 654 A HA 0.538 4.857 4.320 -0.001 0.000 0.239 654 A C 0.909 178.462 177.584 -0.052 0.000 1.068 654 A CA 0.738 52.722 52.037 -0.088 0.000 0.766 654 A CB -0.261 18.526 19.000 -0.355 0.000 1.003 654 A HN 1.304 nan 8.150 nan 0.000 0.497 655 T N -0.080 114.513 114.554 0.064 0.000 2.932 655 T HA 0.589 4.939 4.350 -0.001 0.000 0.289 655 T C -2.395 172.402 174.700 0.161 0.000 1.039 655 T CA -1.833 60.311 62.100 0.073 0.000 1.024 655 T CB 1.573 70.474 68.868 0.056 0.000 1.090 655 T HN 0.244 nan 8.240 nan 0.000 0.496 656 P HA -0.089 nan 4.420 nan 0.000 0.222 656 P C 0.891 178.255 177.300 0.107 0.000 1.142 656 P CA 0.931 64.103 63.100 0.121 0.000 0.788 656 P CB -0.083 31.650 31.700 0.054 0.000 0.767 657 D N -2.076 118.380 120.400 0.094 0.000 2.349 657 D HA 0.047 4.687 4.640 -0.001 0.000 0.224 657 D C 1.472 177.797 176.300 0.042 0.000 1.029 657 D CA 0.803 54.838 54.000 0.059 0.000 0.879 657 D CB -0.850 39.982 40.800 0.053 0.000 0.906 657 D HN 0.224 nan 8.370 nan 0.000 0.528 658 G N 0.562 109.415 108.800 0.089 0.000 2.179 658 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.220 658 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.220 658 G C 0.239 175.145 174.900 0.010 0.000 0.990 658 G CA -0.056 45.005 45.100 -0.064 0.000 0.646 658 G HN 0.594 nan 8.290 nan 0.000 0.517 659 R N 1.282 121.863 120.500 0.135 0.000 2.442 659 R HA 0.432 4.772 4.340 -0.001 0.000 0.291 659 R C 0.391 176.842 176.300 0.250 0.000 1.069 659 R CA -0.198 55.982 56.100 0.133 0.000 1.022 659 R CB 0.306 30.660 30.300 0.090 0.000 0.976 659 R HN 0.251 nan 8.270 nan 0.000 0.443 660 K N 1.895 122.416 120.400 0.201 0.000 2.126 660 K HA 0.050 4.369 4.320 -0.001 0.000 0.257 660 K C 0.081 176.737 176.600 0.093 0.000 1.007 660 K CA -0.302 56.116 56.287 0.218 0.000 0.928 660 K CB 1.200 33.803 32.500 0.173 0.000 1.013 660 K HN 0.541 nan 8.250 nan 0.000 0.473 661 S N 0.274 115.999 115.700 0.043 0.000 2.558 661 S HA 0.134 4.603 4.470 -0.001 0.000 0.293 661 S C 1.209 175.805 174.600 -0.007 0.000 1.292 661 S CA 1.182 59.376 58.200 -0.010 0.000 1.063 661 S CB -0.273 62.902 63.200 -0.042 0.000 0.831 661 S HN 0.838 nan 8.310 nan 0.000 0.499 662 G N 3.204 111.988 108.800 -0.027 0.000 2.205 662 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.261 662 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.261 662 G C 0.082 174.976 174.900 -0.011 0.000 0.980 662 G CA 0.326 45.409 45.100 -0.027 0.000 0.632 662 G HN 0.725 nan 8.290 nan 0.000 0.533 663 Q N 0.806 120.608 119.800 0.004 0.000 2.354 663 Q HA 0.396 4.735 4.340 -0.001 0.000 0.244 663 Q C -2.215 173.791 176.000 0.011 0.000 0.969 663 Q CA -1.663 54.148 55.803 0.013 0.000 0.885 663 Q CB 0.578 29.333 28.738 0.028 0.000 1.241 663 Q HN 0.227 nan 8.270 nan 0.000 0.461 664 P HA 0.025 nan 4.420 nan 0.000 0.268 664 P C -0.316 177.001 177.300 0.028 0.000 1.208 664 P CA 0.244 63.356 63.100 0.020 0.000 0.777 664 P CB 0.494 32.207 31.700 0.022 0.000 0.875 665 L N 0.958 122.202 121.223 0.035 0.000 2.448 665 L HA 0.576 4.915 4.340 -0.001 0.000 0.258 665 L C 0.912 177.814 176.870 0.054 0.000 1.104 665 L CA -1.153 53.714 54.840 0.044 0.000 0.800 665 L CB 0.431 42.523 42.059 0.056 0.000 1.241 665 L HN 0.351 nan 8.230 nan 0.000 0.472 666 A N 0.472 123.333 122.820 0.067 0.000 2.386 666 A HA 0.227 4.546 4.320 -0.001 0.000 0.248 666 A C -0.579 177.063 177.584 0.096 0.000 1.082 666 A CA -0.545 51.545 52.037 0.089 0.000 0.789 666 A CB 0.034 19.101 19.000 0.113 0.000 1.025 666 A HN 0.740 nan 8.150 nan 0.000 0.490 667 D N 1.223 121.692 120.400 0.115 0.000 2.249 667 D HA 0.444 5.084 4.640 -0.001 0.000 0.246 667 D C 0.843 177.251 176.300 0.181 0.000 1.114 667 D CA 0.446 54.523 54.000 0.128 0.000 0.854 667 D CB 0.873 41.744 40.800 0.118 0.000 1.132 667 D HN 1.160 nan 8.370 nan 0.000 0.461 668 G N 1.977 110.889 108.800 0.186 0.000 2.611 668 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.301 668 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.301 668 G C 0.756 175.778 174.900 0.203 0.000 1.233 668 G CA 1.269 46.504 45.100 0.225 0.000 0.993 668 G HN 1.263 nan 8.290 nan 0.000 0.553 669 V N -2.059 118.008 119.914 0.255 0.000 3.271 669 V HA 0.611 4.730 4.120 -0.001 0.000 0.327 669 V C 0.905 177.182 176.094 0.306 0.000 1.389 669 V CA 0.865 63.301 62.300 0.228 0.000 1.156 669 V CB 0.018 31.975 31.823 0.222 0.000 1.103 669 V HN 0.864 nan 8.190 nan 0.000 0.453 670 S N 2.597 118.508 115.700 0.350 0.000 2.580 670 S HA 0.456 4.926 4.470 -0.001 0.000 0.274 670 S C -2.257 172.560 174.600 0.362 0.000 1.329 670 S CA -0.464 57.981 58.200 0.409 0.000 1.036 670 S CB 0.762 64.200 63.200 0.397 0.000 0.919 670 S HN 0.354 nan 8.310 nan 0.000 0.515 671 P HA 0.152 nan 4.420 nan 0.000 0.270 671 P C -0.436 176.993 177.300 0.215 0.000 1.223 671 P CA -0.115 63.154 63.100 0.282 0.000 0.785 671 P CB 0.411 32.163 31.700 0.087 0.000 0.923 672 S N 1.204 117.020 115.700 0.193 0.000 2.579 672 S HA 0.093 4.563 4.470 -0.001 0.000 0.275 672 S C 0.293 174.940 174.600 0.079 0.000 1.345 672 S CA -0.537 57.736 58.200 0.122 0.000 1.031 672 S CB 0.041 63.303 63.200 0.103 0.000 0.892 672 S HN 0.405 nan 8.310 nan 0.000 0.529 673 R N 0.786 121.318 120.500 0.053 0.000 2.537 673 R HA 0.293 4.632 4.340 -0.001 0.000 0.281 673 R C 1.096 177.398 176.300 0.004 0.000 0.988 673 R CA 0.505 56.617 56.100 0.019 0.000 1.077 673 R CB -0.803 29.504 30.300 0.012 0.000 0.932 673 R HN 0.878 nan 8.270 nan 0.000 0.409 674 G N 1.840 110.625 108.800 -0.024 0.000 2.196 674 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.268 674 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.268 674 G C 0.782 175.673 174.900 -0.016 0.000 0.975 674 G CA 0.372 45.451 45.100 -0.035 0.000 0.648 674 G HN 0.731 nan 8.290 nan 0.000 0.538 675 C N 1.237 120.543 119.300 0.010 0.000 2.512 675 C HA 0.215 4.675 4.460 -0.001 0.000 0.276 675 C C 1.120 176.123 174.990 0.022 0.000 1.368 675 C CA 0.387 59.420 59.018 0.025 0.000 1.755 675 C CB -0.367 27.408 27.740 0.058 0.000 2.008 675 C HN 0.709 nan 8.230 nan 0.000 0.511 676 D N 1.724 122.140 120.400 0.027 0.000 2.453 676 D HA 0.181 4.820 4.640 -0.001 0.000 0.223 676 D C 0.539 176.874 176.300 0.057 0.000 1.183 676 D CA -0.001 54.029 54.000 0.050 0.000 0.933 676 D CB 0.389 41.256 40.800 0.112 0.000 1.038 676 D HN 0.361 nan 8.370 nan 0.000 0.513 677 V N -0.389 119.545 119.914 0.033 0.000 3.121 677 V HA 0.259 4.378 4.120 -0.001 0.000 0.344 677 V C 0.575 176.690 176.094 0.036 0.000 1.390 677 V CA -0.308 62.006 62.300 0.023 0.000 1.177 677 V CB -0.139 31.685 31.823 0.000 0.000 1.163 677 V HN 0.272 nan 8.190 nan 0.000 0.484 678 S N 1.110 116.841 115.700 0.052 0.000 2.663 678 S HA 0.677 5.146 4.470 -0.001 0.000 0.243 678 S C 0.865 175.490 174.600 0.043 0.000 1.009 678 S CA 0.280 58.501 58.200 0.035 0.000 0.988 678 S CB 0.376 63.585 63.200 0.015 0.000 0.896 678 S HN 1.546 nan 8.310 nan 0.000 0.502 679 G N 2.987 111.842 108.800 0.090 0.000 2.662 679 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.686 679 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.686 679 G C -2.480 172.342 174.900 -0.130 0.000 1.271 679 G CA -0.543 44.590 45.100 0.055 0.000 0.816 679 G HN 0.021 nan 8.290 nan 0.000 0.608 680 P HA -0.052 nan 4.420 nan 0.000 0.219 680 P C 1.698 178.913 177.300 -0.142 0.000 1.150 680 P CA 2.040 64.850 63.100 -0.485 0.000 0.814 680 P CB 0.033 31.531 31.700 -0.336 0.000 0.787 681 T N 0.433 114.956 114.554 -0.052 0.000 2.737 681 T HA -0.050 4.300 4.350 -0.001 0.000 0.265 681 T C 2.116 176.817 174.700 0.003 0.000 1.038 681 T CA 1.704 63.804 62.100 0.001 0.000 1.144 681 T CB -0.810 68.064 68.868 0.011 0.000 0.866 681 T HN 0.074 nan 8.240 nan 0.000 0.434 682 A N 1.473 124.283 122.820 -0.017 0.000 1.933 682 A HA 0.119 4.438 4.320 -0.001 0.000 0.218 682 A C 2.628 180.182 177.584 -0.051 0.000 1.175 682 A CA 1.885 53.911 52.037 -0.019 0.000 0.628 682 A CB -1.092 17.898 19.000 -0.016 0.000 0.814 682 A HN 0.505 nan 8.150 nan 0.000 0.444 683 A N -0.952 121.827 122.820 -0.067 0.000 1.877 683 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 683 A C 2.326 179.856 177.584 -0.090 0.000 1.186 683 A CA 1.700 53.681 52.037 -0.093 0.000 0.620 683 A CB -1.336 17.649 19.000 -0.025 0.000 0.822 683 A HN 0.598 nan 8.150 nan 0.000 0.443 684 C N -0.261 119.053 119.300 0.024 0.000 2.413 684 C HA -0.109 4.350 4.460 -0.001 0.000 0.276 684 C C 2.686 177.759 174.990 0.138 0.000 1.248 684 C CA 1.212 60.273 59.018 0.072 0.000 1.742 684 C CB -1.510 26.326 27.740 0.160 0.000 2.017 684 C HN 0.649 nan 8.230 nan 0.000 0.481 685 N N 1.024 119.778 118.700 0.091 0.000 2.104 685 N HA -0.101 4.638 4.740 -0.001 0.000 0.190 685 N C 1.917 177.466 175.510 0.065 0.000 1.024 685 N CA 1.478 54.586 53.050 0.098 0.000 0.853 685 N CB -0.587 37.935 38.487 0.059 0.000 1.008 685 N HN 0.443 nan 8.380 nan 0.000 0.424 686 S N 0.235 115.903 115.700 -0.053 0.000 2.356 686 S HA -0.043 4.426 4.470 -0.001 0.000 0.223 686 S C 2.199 176.787 174.600 -0.021 0.000 1.032 686 S CA 0.806 58.927 58.200 -0.132 0.000 1.005 686 S CB -0.246 62.653 63.200 -0.503 0.000 0.867 686 S HN 0.093 nan 8.310 nan 0.000 0.449 687 V N 2.521 122.359 119.914 -0.127 0.000 2.490 687 V HA -0.143 3.977 4.120 -0.001 0.000 0.250 687 V C 2.546 178.897 176.094 0.428 0.000 1.061 687 V CA 1.806 64.169 62.300 0.106 0.000 1.064 687 V CB -1.056 30.488 31.823 -0.466 0.000 0.670 687 V HN 0.698 nan 8.190 nan 0.000 0.461 688 S N -0.069 115.872 115.700 0.403 0.000 2.507 688 S HA -0.167 4.302 4.470 -0.001 0.000 0.235 688 S C 1.749 176.542 174.600 0.322 0.000 0.988 688 S CA 1.046 59.462 58.200 0.360 0.000 0.944 688 S CB -0.436 62.900 63.200 0.227 0.000 0.762 688 S HN 0.658 nan 8.310 nan 0.000 0.526 689 K N 0.555 121.122 120.400 0.278 0.000 2.366 689 K HA 0.237 4.556 4.320 -0.001 0.000 0.198 689 K C 0.421 177.142 176.600 0.202 0.000 1.044 689 K CA 0.138 56.559 56.287 0.223 0.000 0.973 689 K CB -0.288 32.331 32.500 0.198 0.000 0.767 689 K HN 0.429 nan 8.250 nan 0.000 0.475 690 L N 1.303 122.642 121.223 0.193 0.000 2.472 690 L HA 0.030 4.370 4.340 -0.001 0.000 0.260 690 L C 0.515 177.389 176.870 0.008 0.000 1.209 690 L CA -0.405 54.448 54.840 0.021 0.000 0.817 690 L CB 0.161 42.126 42.059 -0.157 0.000 1.106 690 L HN 0.022 nan 8.230 nan 0.000 0.479 691 D N -0.087 120.307 120.400 -0.009 0.000 2.453 691 D HA 0.030 4.669 4.640 -0.001 0.000 0.223 691 D C 0.876 177.215 176.300 0.065 0.000 1.183 691 D CA -0.024 54.043 54.000 0.113 0.000 0.933 691 D CB 0.315 41.181 40.800 0.111 0.000 1.038 691 D HN 0.385 nan 8.370 nan 0.000 0.513 692 H N 2.867 122.070 119.070 0.222 0.000 2.551 692 H HA -0.020 4.535 4.556 -0.001 0.000 0.266 692 H C 0.960 176.352 175.328 0.107 0.000 0.977 692 H CA 0.341 56.472 56.048 0.138 0.000 1.163 692 H CB 0.444 30.278 29.762 0.120 0.000 1.381 692 H HN 0.439 nan 8.280 nan 0.000 0.581 693 F N 0.193 120.271 119.950 0.212 0.000 2.219 693 F HA -0.013 4.513 4.527 -0.001 0.000 0.294 693 F C 2.544 178.403 175.800 0.098 0.000 1.086 693 F CA 0.356 58.447 58.000 0.152 0.000 1.330 693 F CB -0.168 38.890 39.000 0.095 0.000 1.047 693 F HN 0.040 nan 8.300 nan 0.000 0.495 694 I N -0.072 120.653 120.570 0.258 0.000 2.439 694 I HA -0.064 4.106 4.170 -0.001 0.000 0.251 694 I C 1.463 177.628 176.117 0.080 0.000 1.139 694 I CA 0.506 61.886 61.300 0.134 0.000 1.438 694 I CB -0.103 37.952 38.000 0.091 0.000 1.085 694 I HN 0.019 nan 8.210 nan 0.000 0.427 695 A N 0.528 123.388 122.820 0.067 0.000 3.077 695 A HA 0.150 4.469 4.320 -0.001 0.000 0.255 695 A C 1.564 179.130 177.584 -0.031 0.000 1.728 695 A CA 0.394 52.438 52.037 0.010 0.000 1.383 695 A CB -0.865 18.122 19.000 -0.022 0.000 1.097 695 A HN 0.534 nan 8.150 nan 0.000 0.634 696 S N -0.095 115.615 115.700 0.017 0.000 2.547 696 S HA -0.127 4.342 4.470 -0.001 0.000 0.235 696 S C 1.272 175.867 174.600 -0.008 0.000 0.980 696 S CA 1.186 59.403 58.200 0.029 0.000 0.941 696 S CB -0.347 62.843 63.200 -0.017 0.000 0.763 696 S HN 0.641 nan 8.310 nan 0.000 0.532 697 N N 1.773 120.467 118.700 -0.010 0.000 2.398 697 N HA 0.297 5.036 4.740 -0.001 0.000 0.188 697 N C 0.478 176.016 175.510 0.046 0.000 1.122 697 N CA 0.802 53.895 53.050 0.073 0.000 0.866 697 N CB 0.172 38.736 38.487 0.128 0.000 0.970 697 N HN 0.642 nan 8.380 nan 0.000 0.462 698 G N -0.812 107.857 108.800 -0.218 0.000 2.674 698 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.686 698 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.686 698 G C -0.631 174.052 174.900 -0.362 0.000 1.195 698 G CA -0.429 44.318 45.100 -0.587 0.000 0.776 698 G HN 0.431 nan 8.290 nan 0.000 0.654 699 T N -1.263 112.967 114.554 -0.540 0.000 2.893 699 T HA 0.782 5.131 4.350 -0.001 0.000 0.291 699 T C -0.417 174.380 174.700 0.162 0.000 1.028 699 T CA -0.714 61.373 62.100 -0.022 0.000 0.995 699 T CB 2.256 71.206 68.868 0.136 0.000 1.051 699 T HN 1.624 nan 8.240 nan 0.000 0.470 700 L N 3.167 124.556 121.223 0.276 0.000 2.356 700 L HA 0.782 5.122 4.340 -0.001 0.000 0.277 700 L C -1.737 175.452 176.870 0.531 0.000 0.996 700 L CA -1.070 53.964 54.840 0.323 0.000 0.822 700 L CB 1.423 43.602 42.059 0.199 0.000 1.256 700 L HN 0.793 nan 8.230 nan 0.000 0.413 701 F N 5.297 125.526 119.950 0.464 0.000 2.460 701 F HA 0.528 5.054 4.527 -0.001 0.000 0.341 701 F C -0.725 175.096 175.800 0.035 0.000 1.130 701 F CA -1.049 57.069 58.000 0.197 0.000 0.962 701 F CB 1.115 40.172 39.000 0.095 0.000 1.171 701 F HN 0.423 nan 8.300 nan 0.000 0.436 702 N N 5.215 123.947 118.700 0.053 0.000 2.430 702 N HA 0.369 5.108 4.740 -0.001 0.000 0.292 702 N C -1.121 174.135 175.510 -0.423 0.000 1.051 702 N CA -0.268 52.660 53.050 -0.203 0.000 0.917 702 N CB 1.893 40.379 38.487 -0.001 0.000 1.164 702 N HN 0.657 nan 8.380 nan 0.000 0.484 703 Q N 0.919 120.429 119.800 -0.483 0.000 2.359 703 Q HA 0.358 4.697 4.340 -0.001 0.000 0.274 703 Q C -1.092 174.857 176.000 -0.085 0.000 1.074 703 Q CA -0.668 54.941 55.803 -0.322 0.000 0.810 703 Q CB 3.064 31.555 28.738 -0.411 0.000 1.342 703 Q HN 0.358 nan 8.270 nan 0.000 0.427 704 K N 2.358 122.690 120.400 -0.113 0.000 2.376 704 K HA 0.538 4.857 4.320 -0.001 0.000 0.257 704 K C -1.647 174.843 176.600 -0.183 0.000 0.939 704 K CA -0.306 55.952 56.287 -0.049 0.000 0.809 704 K CB 0.947 33.414 32.500 -0.054 0.000 1.121 704 K HN 0.371 nan 8.250 nan 0.000 0.425 705 F N 2.062 122.067 119.950 0.091 0.000 2.522 705 F HA 0.261 4.787 4.527 -0.001 0.000 0.324 705 F C 0.545 176.377 175.800 0.053 0.000 1.077 705 F CA -0.793 57.254 58.000 0.079 0.000 0.944 705 F CB 1.312 40.325 39.000 0.023 0.000 1.175 705 F HN 0.517 nan 8.300 nan 0.000 0.468 706 H N 4.156 123.345 119.070 0.198 0.000 2.764 706 H HA 0.122 4.678 4.556 -0.001 0.000 0.341 706 H C -1.927 173.461 175.328 0.100 0.000 1.072 706 H CA -1.431 54.676 56.048 0.097 0.000 1.444 706 H CB 1.726 31.527 29.762 0.066 0.000 1.458 706 H HN 0.316 nan 8.280 nan 0.000 0.572 707 P HA -0.210 nan 4.420 nan 0.000 0.217 707 P C 1.585 178.900 177.300 0.025 0.000 1.148 707 P CA 2.210 65.239 63.100 -0.119 0.000 0.834 707 P CB 0.101 31.673 31.700 -0.213 0.000 0.783 708 S N -0.756 115.080 115.700 0.226 0.000 2.419 708 S HA -0.137 4.332 4.470 -0.001 0.000 0.233 708 S C 2.038 176.694 174.600 0.093 0.000 1.016 708 S CA 1.106 59.423 58.200 0.195 0.000 0.974 708 S CB -1.326 62.033 63.200 0.265 0.000 0.786 708 S HN 0.142 nan 8.310 nan 0.000 0.492 709 A N 1.232 124.117 122.820 0.108 0.000 2.067 709 A HA 0.228 4.547 4.320 -0.001 0.000 0.219 709 A C 2.004 179.494 177.584 -0.155 0.000 1.158 709 A CA 0.913 52.941 52.037 -0.015 0.000 0.661 709 A CB -0.399 18.626 19.000 0.042 0.000 0.801 709 A HN 0.519 nan 8.150 nan 0.000 0.452 710 L N -0.869 120.275 121.223 -0.132 0.000 2.640 710 L HA 0.160 4.500 4.340 -0.001 0.000 0.230 710 L C 0.863 177.672 176.870 -0.102 0.000 1.123 710 L CA 0.412 55.151 54.840 -0.169 0.000 0.900 710 L CB -0.952 41.010 42.059 -0.162 0.000 1.146 710 L HN 0.413 nan 8.230 nan 0.000 0.484 711 K N 0.928 121.290 120.400 -0.063 0.000 2.451 711 K HA 0.328 4.647 4.320 -0.001 0.000 0.280 711 K C 0.734 177.302 176.600 -0.053 0.000 1.020 711 K CA 0.836 57.098 56.287 -0.043 0.000 1.008 711 K CB 0.456 32.945 32.500 -0.017 0.000 0.917 711 K HN 0.228 nan 8.250 nan 0.000 0.478 712 G N 3.627 112.399 108.800 -0.048 0.000 2.877 712 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.279 712 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.279 712 G C 0.120 174.981 174.900 -0.064 0.000 1.431 712 G CA -0.103 44.967 45.100 -0.050 0.000 0.883 712 G HN 0.794 nan 8.290 nan 0.000 0.547 713 D N 0.309 120.673 120.400 -0.061 0.000 2.144 713 D HA -0.103 4.537 4.640 -0.001 0.000 0.199 713 D C 2.316 178.569 176.300 -0.077 0.000 0.984 713 D CA 1.342 55.302 54.000 -0.067 0.000 0.834 713 D CB -0.119 40.646 40.800 -0.058 0.000 0.955 713 D HN 0.390 nan 8.370 nan 0.000 0.465 714 N N 0.726 119.382 118.700 -0.073 0.000 2.166 714 N HA -0.107 4.632 4.740 -0.001 0.000 0.186 714 N C 1.988 177.432 175.510 -0.110 0.000 1.019 714 N CA 1.189 54.191 53.050 -0.081 0.000 0.856 714 N CB -0.544 37.903 38.487 -0.066 0.000 0.993 714 N HN 0.242 nan 8.380 nan 0.000 0.426 715 G N 1.568 110.299 108.800 -0.115 0.000 2.418 715 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.217 715 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.217 715 G C 1.700 176.478 174.900 -0.202 0.000 1.158 715 G CA 0.385 45.388 45.100 -0.161 0.000 0.771 715 G HN 0.228 nan 8.290 nan 0.000 0.545 716 L N -0.030 121.098 121.223 -0.158 0.000 2.093 716 L HA -0.027 4.312 4.340 -0.001 0.000 0.208 716 L C 3.100 179.870 176.870 -0.166 0.000 1.085 716 L CA 0.623 55.366 54.840 -0.161 0.000 0.755 716 L CB -0.389 41.603 42.059 -0.112 0.000 0.904 716 L HN 0.151 nan 8.230 nan 0.000 0.435 717 M N -0.295 119.223 119.600 -0.136 0.000 2.117 717 M HA -0.156 4.323 4.480 -0.001 0.000 0.262 717 M C 1.983 178.193 176.300 -0.150 0.000 1.065 717 M CA 1.507 56.735 55.300 -0.121 0.000 1.114 717 M CB -1.254 31.290 32.600 -0.093 0.000 1.361 717 M HN 0.299 nan 8.290 nan 0.000 0.408 718 N N 0.810 119.404 118.700 -0.177 0.000 2.142 718 N HA -0.110 4.630 4.740 -0.001 0.000 0.186 718 N C 1.788 177.126 175.510 -0.287 0.000 1.023 718 N CA 0.929 53.857 53.050 -0.202 0.000 0.852 718 N CB -0.497 37.867 38.487 -0.205 0.000 0.998 718 N HN 0.227 nan 8.380 nan 0.000 0.424 719 L N 0.818 121.810 121.223 -0.385 0.000 2.046 719 L HA -0.071 4.268 4.340 -0.001 0.000 0.208 719 L C 2.402 179.022 176.870 -0.416 0.000 1.077 719 L CA 1.467 55.983 54.840 -0.539 0.000 0.747 719 L CB -0.931 40.745 42.059 -0.638 0.000 0.896 719 L HN 0.073 nan 8.230 nan 0.000 0.432 720 S N -1.745 113.778 115.700 -0.296 0.000 2.370 720 S HA -0.241 4.229 4.470 -0.001 0.000 0.226 720 S C 2.284 176.774 174.600 -0.183 0.000 1.033 720 S CA 1.803 59.871 58.200 -0.220 0.000 1.011 720 S CB -0.588 62.527 63.200 -0.141 0.000 0.852 720 S HN 0.642 nan 8.310 nan 0.000 0.457 721 S N 0.228 115.833 115.700 -0.158 0.000 2.383 721 S HA -0.028 4.442 4.470 -0.001 0.000 0.227 721 S C 1.807 176.343 174.600 -0.107 0.000 1.026 721 S CA 1.184 59.318 58.200 -0.110 0.000 0.981 721 S CB -0.614 62.531 63.200 -0.091 0.000 0.818 721 S HN 0.512 nan 8.310 nan 0.000 0.472 722 L N 1.546 122.681 121.223 -0.147 0.000 2.017 722 L HA 0.040 4.380 4.340 -0.001 0.000 0.208 722 L C 2.049 178.862 176.870 -0.095 0.000 1.073 722 L CA 1.749 56.527 54.840 -0.103 0.000 0.745 722 L CB -0.528 41.446 42.059 -0.142 0.000 0.894 722 L HN 0.399 nan 8.230 nan 0.000 0.432 723 I N -0.895 119.544 120.570 -0.218 0.000 2.179 723 I HA -0.297 3.873 4.170 -0.001 0.000 0.242 723 I C 2.638 178.550 176.117 -0.343 0.000 1.088 723 I CA 1.300 62.377 61.300 -0.372 0.000 1.357 723 I CB -0.344 37.311 38.000 -0.576 0.000 1.051 723 I HN 0.204 nan 8.210 nan 0.000 0.409 724 R N 0.050 120.440 120.500 -0.183 0.000 2.105 724 R HA -0.169 4.170 4.340 -0.001 0.000 0.239 724 R C 2.559 178.878 176.300 0.031 0.000 1.135 724 R CA 1.684 57.756 56.100 -0.046 0.000 0.967 724 R CB -0.426 29.862 30.300 -0.021 0.000 0.861 724 R HN 0.285 nan 8.270 nan 0.000 0.442 725 S N -0.087 115.628 115.700 0.026 0.000 2.368 725 S HA -0.184 4.286 4.470 -0.001 0.000 0.224 725 S C 1.805 176.495 174.600 0.150 0.000 1.029 725 S CA 0.957 59.203 58.200 0.076 0.000 0.988 725 S CB -0.263 62.974 63.200 0.062 0.000 0.838 725 S HN 0.442 nan 8.310 nan 0.000 0.462 726 Y N 1.144 121.463 120.300 0.032 0.000 2.200 726 Y HA -0.015 4.535 4.550 -0.001 0.000 0.290 726 Y C 1.731 177.792 175.900 0.267 0.000 1.137 726 Y CA 1.466 59.635 58.100 0.115 0.000 1.163 726 Y CB -0.679 37.839 38.460 0.097 0.000 0.988 726 Y HN 0.310 nan 8.280 nan 0.000 0.518 727 F N 0.725 120.633 119.950 -0.071 0.000 2.234 727 F HA -0.129 4.398 4.527 -0.001 0.000 0.299 727 F C 2.111 177.852 175.800 -0.098 0.000 1.087 727 F CA 1.196 59.101 58.000 -0.159 0.000 1.340 727 F CB -1.041 37.948 39.000 -0.018 0.000 1.031 727 F HN 0.124 nan 8.300 nan 0.000 0.500 728 D N -0.402 120.097 120.400 0.164 0.000 2.219 728 D HA -0.122 4.518 4.640 -0.001 0.000 0.205 728 D C 1.908 178.254 176.300 0.077 0.000 0.970 728 D CA 0.798 54.861 54.000 0.105 0.000 0.851 728 D CB -0.272 40.582 40.800 0.089 0.000 0.943 728 D HN 0.308 nan 8.370 nan 0.000 0.488 729 Q N 0.321 120.155 119.800 0.058 0.000 2.365 729 Q HA 0.018 4.358 4.340 -0.001 0.000 0.203 729 Q C 0.057 176.070 176.000 0.023 0.000 0.929 729 Q CA 0.258 56.095 55.803 0.056 0.000 0.948 729 Q CB 0.532 29.320 28.738 0.083 0.000 1.043 729 Q HN 0.100 nan 8.270 nan 0.000 0.505 730 K N -1.104 119.273 120.400 -0.038 0.000 3.299 730 K HA -0.105 4.214 4.320 -0.001 0.000 0.284 730 K C 0.243 176.644 176.600 -0.332 0.000 1.235 730 K CA 0.824 57.060 56.287 -0.086 0.000 0.833 730 K CB -2.302 30.304 32.500 0.176 0.000 1.330 730 K HN 0.411 nan 8.250 nan 0.000 0.510 731 G N -0.253 108.150 108.800 -0.663 0.000 2.539 731 G HA2 0.394 4.354 3.960 -0.001 0.000 0.258 731 G HA3 0.394 4.354 3.960 -0.001 0.000 0.258 731 G C 0.668 175.152 174.900 -0.694 0.000 1.202 731 G CA -0.440 43.931 45.100 -1.216 0.000 0.851 731 G HN 0.134 nan 8.290 nan 0.000 0.556 732 F N -0.006 119.578 119.950 -0.610 0.000 2.188 732 F HA 0.232 4.758 4.527 -0.001 0.000 0.289 732 F C 1.091 176.912 175.800 0.036 0.000 1.082 732 F CA 1.066 58.926 58.000 -0.233 0.000 1.282 732 F CB 0.443 39.464 39.000 0.035 0.000 1.060 732 F HN 0.533 nan 8.300 nan 0.000 0.493 733 H N -0.608 118.804 119.070 0.571 0.000 3.046 733 H HA 0.547 5.102 4.556 -0.001 0.000 0.361 733 H C -1.949 173.706 175.328 0.545 0.000 1.235 733 H CA -0.656 55.674 56.048 0.469 0.000 1.146 733 H CB 1.637 31.577 29.762 0.297 0.000 1.859 733 H HN 0.011 nan 8.280 nan 0.000 0.548 734 V N 3.568 123.084 119.914 -0.662 0.000 3.048 734 V HA 0.434 4.554 4.120 -0.001 0.000 0.303 734 V C -1.783 173.736 176.094 -0.959 0.000 1.214 734 V CA -0.327 61.495 62.300 -0.797 0.000 0.984 734 V CB 2.164 33.674 31.823 -0.521 0.000 1.054 734 V HN 1.033 nan 8.190 nan 0.000 0.430 735 Q N 4.050 123.253 119.800 -0.996 0.000 2.462 735 Q HA 0.703 5.042 4.340 -0.001 0.000 0.285 735 Q C -2.220 173.266 176.000 -0.856 0.000 1.035 735 Q CA -0.759 54.692 55.803 -0.586 0.000 0.799 735 Q CB 2.658 31.326 28.738 -0.117 0.000 1.452 735 Q HN 0.524 nan 8.270 nan 0.000 0.404 736 F N 0.275 120.244 119.950 0.032 0.000 2.565 736 F HA 0.488 5.015 4.527 -0.001 0.000 0.313 736 F C -0.151 175.681 175.800 0.052 0.000 1.091 736 F CA -0.925 57.099 58.000 0.040 0.000 0.915 736 F CB 2.023 41.085 39.000 0.102 0.000 1.208 736 F HN 0.458 nan 8.300 nan 0.000 0.453 737 N N 1.085 119.915 118.700 0.217 0.000 2.456 737 N HA 0.608 5.347 4.740 -0.001 0.000 0.288 737 N C -1.323 174.283 175.510 0.159 0.000 1.059 737 N CA -0.221 52.904 53.050 0.124 0.000 0.946 737 N CB 2.163 40.678 38.487 0.048 0.000 1.150 737 N HN 0.387 nan 8.380 nan 0.000 0.479 738 V N 4.410 124.382 119.914 0.097 0.000 2.454 738 V HA 0.465 4.584 4.120 -0.001 0.000 0.267 738 V C -0.255 175.836 176.094 -0.004 0.000 0.993 738 V CA -0.490 61.854 62.300 0.073 0.000 0.836 738 V CB 0.630 32.488 31.823 0.058 0.000 1.055 738 V HN 0.556 nan 8.190 nan 0.000 0.452 739 I N 1.328 121.873 120.570 -0.042 0.000 3.006 739 I HA 0.533 4.702 4.170 -0.001 0.000 0.306 739 I C -1.264 174.768 176.117 -0.143 0.000 1.250 739 I CA -0.530 60.713 61.300 -0.094 0.000 0.996 739 I CB 2.724 40.660 38.000 -0.106 0.000 1.261 739 I HN 0.435 nan 8.210 nan 0.000 0.442 740 D N 5.212 125.517 120.400 -0.157 0.000 2.343 740 D HA 0.066 4.706 4.640 -0.001 0.000 0.255 740 D C 0.748 176.962 176.300 -0.142 0.000 1.187 740 D CA 0.209 54.108 54.000 -0.167 0.000 0.875 740 D CB 1.531 42.253 40.800 -0.131 0.000 1.136 740 D HN 0.551 nan 8.370 nan 0.000 0.469 741 K N 3.611 123.944 120.400 -0.110 0.000 2.160 741 K HA -0.192 4.128 4.320 -0.001 0.000 0.206 741 K C 1.370 177.900 176.600 -0.116 0.000 1.047 741 K CA 1.175 57.400 56.287 -0.103 0.000 0.930 741 K CB 0.235 32.704 32.500 -0.052 0.000 0.720 741 K HN 0.308 nan 8.250 nan 0.000 0.450 742 K N 0.351 120.696 120.400 -0.091 0.000 2.147 742 K HA -0.091 4.229 4.320 -0.001 0.000 0.205 742 K C 2.005 178.520 176.600 -0.142 0.000 1.049 742 K CA 1.408 57.644 56.287 -0.085 0.000 0.936 742 K CB -0.070 32.403 32.500 -0.045 0.000 0.722 742 K HN 0.213 nan 8.250 nan 0.000 0.446 743 I N 0.982 121.449 120.570 -0.172 0.000 2.315 743 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 743 I C 2.026 177.869 176.117 -0.457 0.000 1.117 743 I CA 1.109 62.253 61.300 -0.260 0.000 1.404 743 I CB -0.219 37.683 38.000 -0.163 0.000 1.071 743 I HN 0.120 nan 8.210 nan 0.000 0.419 744 L N 0.128 121.092 121.223 -0.432 0.000 2.093 744 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 744 L C 2.482 179.158 176.870 -0.324 0.000 1.085 744 L CA 1.171 55.636 54.840 -0.624 0.000 0.755 744 L CB -0.495 41.220 42.059 -0.572 0.000 0.904 744 L HN 0.264 nan 8.230 nan 0.000 0.435 745 L N -0.305 120.797 121.223 -0.202 0.000 2.093 745 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 745 L C 2.864 179.660 176.870 -0.123 0.000 1.085 745 L CA 0.968 55.750 54.840 -0.097 0.000 0.755 745 L CB -0.675 41.343 42.059 -0.069 0.000 0.904 745 L HN 0.226 nan 8.230 nan 0.000 0.435 746 A N 0.091 122.770 122.820 -0.235 0.000 1.969 746 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 746 A C 2.510 179.865 177.584 -0.382 0.000 1.169 746 A CA 1.479 53.359 52.037 -0.262 0.000 0.635 746 A CB -0.523 18.302 19.000 -0.293 0.000 0.810 746 A HN 0.378 nan 8.150 nan 0.000 0.445 747 A N -0.684 121.781 122.820 -0.591 0.000 1.969 747 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 747 A C 2.080 179.704 177.584 0.065 0.000 1.169 747 A CA 1.481 53.322 52.037 -0.327 0.000 0.635 747 A CB -0.431 18.457 19.000 -0.187 0.000 0.810 747 A HN 0.657 nan 8.150 nan 0.000 0.445 748 Q N -0.476 119.382 119.800 0.096 0.000 2.172 748 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 748 Q C 1.878 177.907 176.000 0.047 0.000 0.964 748 Q CA 1.350 57.209 55.803 0.094 0.000 0.855 748 Q CB -0.099 28.695 28.738 0.094 0.000 0.918 748 Q HN 0.642 nan 8.270 nan 0.000 0.444 749 K N 0.225 120.644 120.400 0.032 0.000 2.116 749 K HA 0.027 4.346 4.320 -0.001 0.000 0.203 749 K C 0.481 177.120 176.600 0.065 0.000 1.052 749 K CA 0.620 56.930 56.287 0.038 0.000 0.952 749 K CB 0.325 32.842 32.500 0.029 0.000 0.729 749 K HN 0.070 nan 8.250 nan 0.000 0.446 750 N N 0.693 119.456 118.700 0.105 0.000 2.791 750 N HA 0.148 4.887 4.740 -0.001 0.000 0.265 750 N C -2.508 173.139 175.510 0.228 0.000 1.580 750 N CA -1.031 52.111 53.050 0.153 0.000 0.809 750 N CB 1.599 40.196 38.487 0.182 0.000 1.178 750 N HN -0.130 nan 8.380 nan 0.000 0.499 751 P HA -0.236 nan 4.420 nan 0.000 0.216 751 P C 1.367 178.775 177.300 0.179 0.000 1.154 751 P CA 1.548 64.754 63.100 0.177 0.000 0.865 751 P CB 0.298 32.055 31.700 0.096 0.000 0.789 752 E N -0.076 120.195 120.200 0.118 0.000 2.171 752 E HA -0.228 4.121 4.350 -0.001 0.000 0.197 752 E C 1.300 177.928 176.600 0.046 0.000 0.997 752 E CA 1.086 57.529 56.400 0.072 0.000 0.810 752 E CB -0.745 28.985 29.700 0.049 0.000 0.738 752 E HN 0.194 nan 8.360 nan 0.000 0.467 753 K N -0.045 120.392 120.400 0.060 0.000 2.426 753 K HA 0.024 4.343 4.320 -0.001 0.000 0.193 753 K C 0.009 176.363 176.600 -0.410 0.000 1.028 753 K CA 0.480 56.678 56.287 -0.148 0.000 1.047 753 K CB 0.264 32.657 32.500 -0.178 0.000 0.821 753 K HN 0.339 nan 8.250 nan 0.000 0.513 754 Y N 0.570 120.894 120.300 0.040 0.000 2.634 754 Y HA 0.242 4.791 4.550 -0.001 0.000 0.292 754 Y C 1.344 177.281 175.900 0.061 0.000 0.996 754 Y CA -0.497 57.631 58.100 0.047 0.000 1.165 754 Y CB 0.417 38.913 38.460 0.059 0.000 1.194 754 Y HN -0.036 nan 8.280 nan 0.000 0.585 755 Q N 0.634 120.500 119.800 0.111 0.000 2.170 755 Q HA -0.169 4.170 4.340 -0.001 0.000 0.203 755 Q C 1.260 177.316 176.000 0.093 0.000 0.976 755 Q CA 1.662 57.523 55.803 0.097 0.000 0.858 755 Q CB 0.103 28.871 28.738 0.051 0.000 0.907 755 Q HN 0.611 nan 8.270 nan 0.000 0.433 756 D N -0.139 120.306 120.400 0.075 0.000 2.328 756 D HA -0.040 4.600 4.640 -0.001 0.000 0.221 756 D C 0.214 176.565 176.300 0.086 0.000 1.072 756 D CA -0.209 53.830 54.000 0.064 0.000 0.850 756 D CB -0.071 40.748 40.800 0.031 0.000 0.922 756 D HN 0.066 nan 8.370 nan 0.000 0.516 757 L N 1.731 123.035 121.223 0.135 0.000 2.433 757 L HA 0.192 4.531 4.340 -0.001 0.000 0.275 757 L C -0.582 176.361 176.870 0.122 0.000 1.128 757 L CA -0.117 54.802 54.840 0.131 0.000 0.875 757 L CB 0.228 42.392 42.059 0.174 0.000 1.171 757 L HN -0.081 nan 8.230 nan 0.000 0.463 758 I N 6.181 126.796 120.570 0.075 0.000 2.460 758 I HA 0.505 4.674 4.170 -0.001 0.000 0.298 758 I C -0.162 175.984 176.117 0.047 0.000 0.989 758 I CA -0.568 60.776 61.300 0.072 0.000 1.173 758 I CB 1.516 39.547 38.000 0.050 0.000 1.338 758 I HN 0.425 nan 8.210 nan 0.000 0.456 759 V N 5.905 125.857 119.914 0.063 0.000 3.049 759 V HA 0.545 4.665 4.120 -0.001 0.000 0.309 759 V C -0.685 175.405 176.094 -0.007 0.000 1.148 759 V CA -0.833 61.487 62.300 0.034 0.000 0.990 759 V CB 2.787 34.666 31.823 0.093 0.000 1.039 759 V HN 0.824 nan 8.190 nan 0.000 0.430 760 R N 3.200 123.686 120.500 -0.023 0.000 2.265 760 R HA 0.578 4.917 4.340 -0.001 0.000 0.314 760 R C -0.037 176.188 176.300 -0.126 0.000 1.053 760 R CA 0.413 56.471 56.100 -0.069 0.000 0.931 760 R CB 1.163 31.455 30.300 -0.013 0.000 1.024 760 R HN 0.605 nan 8.270 nan 0.000 0.457 761 V N 2.506 122.233 119.914 -0.311 0.000 2.693 761 V HA 0.451 4.570 4.120 -0.001 0.000 0.223 761 V C 0.090 176.085 176.094 -0.166 0.000 1.131 761 V CA 0.936 63.041 62.300 -0.325 0.000 1.177 761 V CB -0.184 31.213 31.823 -0.710 0.000 0.852 761 V HN 0.818 nan 8.190 nan 0.000 0.507 762 A N -0.969 121.755 122.820 -0.160 0.000 2.686 762 A HA 0.569 4.889 4.320 -0.001 0.000 0.299 762 A C 0.478 178.244 177.584 0.303 0.000 1.151 762 A CA 0.455 52.567 52.037 0.125 0.000 0.851 762 A CB 0.516 19.634 19.000 0.196 0.000 1.448 762 A HN 1.562 nan 8.150 nan 0.000 0.404 763 G N 0.668 109.613 108.800 0.242 0.000 2.176 763 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.253 763 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.253 763 G C -0.024 175.131 174.900 0.424 0.000 0.979 763 G CA 1.071 46.341 45.100 0.283 0.000 0.641 763 G HN 2.418 nan 8.290 nan 0.000 0.530 764 Y N -1.512 118.890 120.300 0.169 0.000 2.641 764 Y HA 0.762 5.312 4.550 -0.001 0.000 0.333 764 Y C -0.274 175.669 175.900 0.072 0.000 1.174 764 Y CA -0.802 57.364 58.100 0.110 0.000 1.057 764 Y CB 0.561 39.063 38.460 0.070 0.000 1.322 764 Y HN 0.207 nan 8.280 nan 0.000 0.457 765 S N 0.993 116.719 115.700 0.044 0.000 2.681 765 S HA 0.974 5.443 4.470 -0.001 0.000 0.299 765 S C -0.720 173.886 174.600 0.010 0.000 1.113 765 S CA -0.185 57.986 58.200 -0.049 0.000 1.013 765 S CB 1.542 64.754 63.200 0.020 0.000 1.076 765 S HN 1.096 nan 8.310 nan 0.000 0.534 766 A N 0.958 123.776 122.820 -0.003 0.000 2.609 766 A HA 0.601 4.920 4.320 -0.001 0.000 0.291 766 A C -1.160 176.476 177.584 0.086 0.000 1.096 766 A CA -0.730 51.346 52.037 0.066 0.000 0.684 766 A CB 1.109 20.146 19.000 0.062 0.000 1.282 766 A HN 0.704 nan 8.150 nan 0.000 0.412 767 Q N 1.020 120.882 119.800 0.103 0.000 2.286 767 Q HA 0.197 4.536 4.340 -0.001 0.000 0.265 767 Q C 0.183 176.256 176.000 0.122 0.000 1.080 767 Q CA -0.262 55.614 55.803 0.122 0.000 0.906 767 Q CB 0.024 28.835 28.738 0.123 0.000 1.227 767 Q HN 0.725 nan 8.270 nan 0.000 0.409 768 F N 5.742 125.698 119.950 0.010 0.000 2.085 768 F HA -0.312 4.214 4.527 -0.001 0.000 0.299 768 F C 1.591 177.385 175.800 -0.010 0.000 1.096 768 F CA 2.352 60.346 58.000 -0.011 0.000 1.227 768 F CB -0.083 38.907 39.000 -0.016 0.000 0.983 768 F HN 0.798 nan 8.300 nan 0.000 0.482 769 I N -1.140 119.445 120.570 0.025 0.000 3.176 769 I HA -0.060 4.110 4.170 -0.001 0.000 0.275 769 I C 1.856 177.905 176.117 -0.113 0.000 1.298 769 I CA 1.252 62.510 61.300 -0.071 0.000 1.445 769 I CB -0.853 37.191 38.000 0.072 0.000 1.075 769 I HN 0.249 nan 8.210 nan 0.000 0.482 770 S N 0.741 116.376 115.700 -0.109 0.000 2.524 770 S HA 0.290 4.759 4.470 -0.001 0.000 0.216 770 S C 0.734 175.172 174.600 -0.269 0.000 0.987 770 S CA -0.420 57.681 58.200 -0.164 0.000 0.909 770 S CB -0.433 62.704 63.200 -0.105 0.000 0.781 770 S HN 0.428 nan 8.310 nan 0.000 0.521 771 L N 2.238 123.300 121.223 -0.270 0.000 2.371 771 L HA 0.422 4.761 4.340 -0.001 0.000 0.272 771 L C 0.299 177.016 176.870 -0.256 0.000 1.124 771 L CA -0.695 53.987 54.840 -0.263 0.000 0.816 771 L CB 0.557 42.441 42.059 -0.292 0.000 1.129 771 L HN 0.174 nan 8.230 nan 0.000 0.448 772 D N 1.212 121.500 120.400 -0.186 0.000 2.423 772 D HA -0.054 4.586 4.640 -0.001 0.000 0.238 772 D C 1.096 177.304 176.300 -0.153 0.000 1.142 772 D CA 0.053 53.967 54.000 -0.144 0.000 0.884 772 D CB 0.918 41.657 40.800 -0.102 0.000 1.199 772 D HN 0.442 nan 8.370 nan 0.000 0.438 773 K N 1.294 121.620 120.400 -0.124 0.000 2.152 773 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 773 K C 1.803 178.360 176.600 -0.071 0.000 1.048 773 K CA 1.581 57.803 56.287 -0.107 0.000 0.933 773 K CB -0.104 32.357 32.500 -0.066 0.000 0.721 773 K HN 0.564 nan 8.250 nan 0.000 0.447 774 S N 0.516 116.185 115.700 -0.052 0.000 2.382 774 S HA -0.150 4.320 4.470 -0.001 0.000 0.228 774 S C 1.940 176.524 174.600 -0.027 0.000 1.027 774 S CA 1.244 59.428 58.200 -0.026 0.000 0.991 774 S CB -0.458 62.736 63.200 -0.010 0.000 0.823 774 S HN 0.351 nan 8.310 nan 0.000 0.469 775 I N 1.510 122.050 120.570 -0.051 0.000 2.480 775 I HA -0.102 4.068 4.170 -0.001 0.000 0.251 775 I C 2.950 179.043 176.117 -0.039 0.000 1.124 775 I CA 0.879 62.153 61.300 -0.043 0.000 1.444 775 I CB -0.402 37.564 38.000 -0.057 0.000 1.098 775 I HN 0.327 nan 8.210 nan 0.000 0.428 776 Q N 0.776 120.516 119.800 -0.099 0.000 2.050 776 Q HA -0.194 4.145 4.340 -0.001 0.000 0.202 776 Q C 1.921 177.973 176.000 0.087 0.000 0.980 776 Q CA 1.451 57.218 55.803 -0.060 0.000 0.840 776 Q CB -0.216 28.351 28.738 -0.285 0.000 0.898 776 Q HN 0.489 nan 8.270 nan 0.000 0.424 777 N N 0.815 119.534 118.700 0.032 0.000 2.244 777 N HA -0.151 4.589 4.740 -0.001 0.000 0.183 777 N C 1.270 176.801 175.510 0.035 0.000 1.016 777 N CA 1.321 54.395 53.050 0.040 0.000 0.866 777 N CB -0.309 38.189 38.487 0.017 0.000 0.980 777 N HN 0.257 nan 8.380 nan 0.000 0.430 778 D N 0.642 121.058 120.400 0.026 0.000 2.117 778 D HA -0.001 4.639 4.640 -0.001 0.000 0.198 778 D C 1.966 178.284 176.300 0.031 0.000 0.982 778 D CA 0.658 54.672 54.000 0.024 0.000 0.828 778 D CB -0.023 40.788 40.800 0.018 0.000 0.967 778 D HN 0.195 nan 8.370 nan 0.000 0.464 779 I N 0.087 120.686 120.570 0.048 0.000 2.252 779 I HA -0.193 3.976 4.170 -0.001 0.000 0.245 779 I C 2.256 178.395 176.117 0.036 0.000 1.102 779 I CA 0.669 61.999 61.300 0.051 0.000 1.385 779 I CB -0.167 37.889 38.000 0.094 0.000 1.064 779 I HN 0.088 nan 8.210 nan 0.000 0.414 780 I N 0.865 121.468 120.570 0.054 0.000 2.361 780 I HA -0.242 3.927 4.170 -0.001 0.000 0.251 780 I C 2.563 178.679 176.117 -0.001 0.000 1.133 780 I CA 1.175 62.486 61.300 0.019 0.000 1.413 780 I CB -0.355 37.668 38.000 0.038 0.000 1.073 780 I HN 0.165 nan 8.210 nan 0.000 0.424 781 A N 0.539 123.363 122.820 0.006 0.000 2.167 781 A HA 0.011 4.331 4.320 -0.001 0.000 0.214 781 A C 1.217 178.791 177.584 -0.016 0.000 1.151 781 A CA 0.119 52.153 52.037 -0.005 0.000 0.735 781 A CB -0.365 18.637 19.000 0.004 0.000 0.802 781 A HN 0.261 nan 8.150 nan 0.000 0.467 782 R N 0.593 121.083 120.500 -0.016 0.000 2.734 782 R HA 0.215 4.554 4.340 -0.001 0.000 0.266 782 R C -0.175 176.082 176.300 -0.072 0.000 1.044 782 R CA 0.172 56.256 56.100 -0.028 0.000 1.128 782 R CB 0.087 30.375 30.300 -0.019 0.000 1.010 782 R HN 0.205 nan 8.270 nan 0.000 0.461 783 T N 2.157 116.648 114.554 -0.105 0.000 2.934 783 T HA -0.042 4.307 4.350 -0.001 0.000 0.306 783 T C 0.249 174.771 174.700 -0.296 0.000 1.042 783 T CA 0.278 62.246 62.100 -0.220 0.000 1.145 783 T CB 0.331 69.017 68.868 -0.303 0.000 0.982 783 T HN 0.463 nan 8.240 nan 0.000 0.544 784 E N 2.980 123.001 120.200 -0.298 0.000 2.113 784 E HA 0.173 4.522 4.350 -0.001 0.000 0.273 784 E C -0.552 175.848 176.600 -0.333 0.000 0.924 784 E CA -0.742 55.517 56.400 -0.235 0.000 0.764 784 E CB 0.535 30.185 29.700 -0.083 0.000 1.104 784 E HN 0.635 nan 8.360 nan 0.000 0.406 785 H N 1.712 120.623 119.070 -0.265 0.000 2.544 785 H HA 0.442 4.997 4.556 -0.001 0.000 0.342 785 H C -0.024 175.291 175.328 -0.021 0.000 1.185 785 H CA -0.549 55.335 56.048 -0.273 0.000 1.264 785 H CB 1.813 31.197 29.762 -0.631 0.000 1.607 785 H HN 0.412 nan 8.280 nan 0.000 0.550 786 V N -0.508 119.566 119.914 0.266 0.000 3.001 786 V HA 0.418 4.537 4.120 -0.001 0.000 0.314 786 V C 0.309 176.612 176.094 0.347 0.000 1.099 786 V CA -1.145 61.334 62.300 0.298 0.000 0.989 786 V CB 2.049 33.943 31.823 0.118 0.000 1.040 786 V HN 0.491 nan 8.190 nan 0.000 0.434 787 M N 0.000 119.742 119.600 0.236 0.000 2.572 787 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 787 M CA 0.000 55.374 55.300 0.123 0.000 0.988 787 M CB 0.000 32.568 32.600 -0.054 0.000 1.302 787 M HN 0.000 nan 8.290 nan 0.000 0.411