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 2bkl_1_B DATA FIRST_RESID 2 DATA SEQUENCE SYPATRAEQV VDTLHGVQVA DPYRWLEDEK APEVQTWMTA QNAHAREALA DATA SEQUENCE KFPGREALAA RFKELFYTDS VSTPSRRNGR FFYVRTHKDK EKAILYWRQG DATA SEQUENCE ESGQEKVLLD PNGWSKDGTV SLGTWAVSWD GKKVAFAQKP NAADEAVLHV DATA SEQUENCE IDVDSGEWSK VDVIEGGKYA TPKWTPDSKG FYYEWLPTDP SIKVDERPGY DATA SEQUENCE TTIRYHTLGT EPSKDTVVHE RTGDPTTFLQ SDLSRDGKYL FVYILRGWSE DATA SEQUENCE NDVYWKRPGE KDFRLLVKGV GAKYEVHAWK DRFYVLTDEG APRQRVFEVD DATA SEQUENCE PAKPARASWK EIVPEDSSAS LLSVSIVGGH LSLEYLKDAT SEVRVATLKG DATA SEQUENCE KPVRTVQLPG VGAASNLMGL EDLDDAYYVF TSFTTPRQIY KTSVSTGKSE DATA SEQUENCE LWAKVDVPMN PEQYQVEQVF YASKDGTKVP MFVVHRKDLK RDGNAPTLLY DATA SEQUENCE GYGGFNVNME ANFRSSILPW LDAGGVYAVA NLRGGGEYGK AWHDAGRLDK DATA SEQUENCE KQNVFDDFHA AAEYLVQQKY TQPKRLAIYG GSNGGLLVGA AMTQRPELYG DATA SEQUENCE AVVCAVPLLD MVRYHLFGSG RTWIPEYGTA EKPEDFKTLH AYSPYHHVRP DATA SEQUENCE DVRYPALLMM AADHDDRVDP MHARKFVAAV QNSPGNPATA LLRIEANAGH DATA SEQUENCE GGADQVAKAI ESSVDLYSFL FQVLDVQG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.483 174.600 -0.194 0.000 1.055 2 S CA 0.000 58.164 58.200 -0.061 0.000 1.107 2 S CB 0.000 63.204 63.200 0.007 0.000 0.593 3 Y N 2.984 122.907 120.300 -0.628 0.000 1.993 3 Y HA 0.009 4.558 4.550 -0.001 0.000 0.267 3 Y C -1.691 174.051 175.900 -0.265 0.000 1.155 3 Y CA 2.598 60.387 58.100 -0.519 0.000 1.105 3 Y CB -1.153 36.838 38.460 -0.782 0.000 0.960 3 Y HN 0.264 nan 8.280 nan 0.000 0.486 4 P HA 0.141 nan 4.420 nan 0.000 0.267 4 P C -1.135 176.160 177.300 -0.009 0.000 1.205 4 P CA 0.311 63.361 63.100 -0.084 0.000 0.765 4 P CB 0.770 32.350 31.700 -0.199 0.000 0.828 5 A N 3.301 126.150 122.820 0.049 0.000 2.462 5 A HA 0.381 4.701 4.320 -0.001 0.000 0.243 5 A C 0.209 178.008 177.584 0.359 0.000 1.076 5 A CA 0.387 52.504 52.037 0.133 0.000 0.773 5 A CB -0.294 18.755 19.000 0.082 0.000 1.010 5 A HN 0.510 nan 8.150 nan 0.000 0.493 6 T N 3.187 117.965 114.554 0.374 0.000 2.833 6 T HA 0.426 4.775 4.350 -0.001 0.000 0.297 6 T C 0.176 175.146 174.700 0.449 0.000 1.015 6 T CA -0.575 61.829 62.100 0.507 0.000 0.963 6 T CB 0.530 69.638 68.868 0.399 0.000 0.955 6 T HN 0.821 nan 8.240 nan 0.000 0.449 7 R N 1.916 122.649 120.500 0.388 0.000 2.643 7 R HA 0.655 4.995 4.340 -0.001 0.000 0.270 7 R C -0.232 176.301 176.300 0.389 0.000 1.061 7 R CA -0.569 55.667 56.100 0.226 0.000 1.107 7 R CB 0.383 30.647 30.300 -0.061 0.000 0.999 7 R HN 0.524 nan 8.270 nan 0.000 0.460 8 A N 2.501 125.423 122.820 0.171 0.000 2.320 8 A HA 0.421 4.740 4.320 -0.001 0.000 0.334 8 A C -0.690 176.865 177.584 -0.047 0.000 1.147 8 A CA -0.836 51.180 52.037 -0.035 0.000 0.820 8 A CB 1.094 19.990 19.000 -0.173 0.000 1.218 8 A HN 0.887 nan 8.150 nan 0.000 0.482 9 E N 0.084 120.242 120.200 -0.070 0.000 2.320 9 E HA 0.336 4.685 4.350 -0.001 0.000 0.264 9 E C -0.821 175.745 176.600 -0.056 0.000 0.923 9 E CA -0.950 55.425 56.400 -0.041 0.000 0.796 9 E CB 1.123 30.830 29.700 0.010 0.000 1.262 9 E HN 0.520 nan 8.360 nan 0.000 0.428 10 Q N 0.751 120.529 119.800 -0.036 0.000 2.412 10 Q HA 0.183 4.522 4.340 -0.001 0.000 0.298 10 Q C -0.476 175.516 176.000 -0.014 0.000 0.938 10 Q CA -0.086 55.699 55.803 -0.029 0.000 0.968 10 Q CB -0.154 28.570 28.738 -0.023 0.000 1.187 10 Q HN 0.185 nan 8.270 nan 0.000 0.421 11 V N 1.042 120.953 119.914 -0.006 0.000 2.488 11 V HA 0.236 4.355 4.120 -0.001 0.000 0.277 11 V C 0.205 176.311 176.094 0.020 0.000 1.046 11 V CA -0.219 62.089 62.300 0.014 0.000 0.986 11 V CB 1.301 33.145 31.823 0.036 0.000 0.989 11 V HN 0.046 nan 8.190 nan 0.000 0.475 12 V N 4.560 124.485 119.914 0.017 0.000 2.668 12 V HA 0.490 4.609 4.120 -0.001 0.000 0.304 12 V C -0.905 175.194 176.094 0.008 0.000 1.071 12 V CA -0.883 61.429 62.300 0.021 0.000 0.894 12 V CB 2.224 34.055 31.823 0.014 0.000 1.008 12 V HN 0.800 nan 8.190 nan 0.000 0.425 13 D N 1.843 122.247 120.400 0.005 0.000 2.252 13 D HA 0.452 5.091 4.640 -0.001 0.000 0.245 13 D C -0.370 175.896 176.300 -0.058 0.000 1.009 13 D CA -0.313 53.669 54.000 -0.029 0.000 0.870 13 D CB 2.488 43.267 40.800 -0.034 0.000 1.251 13 D HN 0.463 nan 8.370 nan 0.000 0.460 14 T N 2.017 116.520 114.554 -0.084 0.000 2.727 14 T HA 0.391 4.740 4.350 -0.001 0.000 0.298 14 T C 0.206 174.776 174.700 -0.216 0.000 0.942 14 T CA -0.392 61.640 62.100 -0.112 0.000 0.997 14 T CB 0.129 68.947 68.868 -0.084 0.000 0.917 14 T HN 0.070 nan 8.240 nan 0.000 0.487 15 L N 4.625 125.657 121.223 -0.318 0.000 2.319 15 L HA 0.439 4.779 4.340 -0.001 0.000 0.281 15 L C 0.249 176.741 176.870 -0.629 0.000 1.005 15 L CA -1.066 53.404 54.840 -0.617 0.000 0.828 15 L CB 0.727 42.309 42.059 -0.796 0.000 1.227 15 L HN 0.756 nan 8.230 nan 0.000 0.415 16 H N 2.397 121.247 119.070 -0.367 0.000 2.713 16 H HA -0.199 4.356 4.556 -0.001 0.000 0.311 16 H C 1.303 176.568 175.328 -0.105 0.000 1.175 16 H CA 0.880 56.792 56.048 -0.227 0.000 1.143 16 H CB -1.112 28.498 29.762 -0.254 0.000 1.434 16 H HN 1.120 nan 8.280 nan 0.000 0.418 17 G N -1.502 107.274 108.800 -0.039 0.000 2.162 17 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.260 17 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.260 17 G C 0.213 175.137 174.900 0.040 0.000 0.976 17 G CA 0.300 45.406 45.100 0.010 0.000 0.655 17 G HN 0.537 nan 8.290 nan 0.000 0.533 18 V N 1.387 121.322 119.914 0.034 0.000 2.604 18 V HA 0.510 4.630 4.120 -0.001 0.000 0.305 18 V C 0.016 176.142 176.094 0.053 0.000 1.043 18 V CA -1.183 61.186 62.300 0.115 0.000 0.888 18 V CB 1.911 33.928 31.823 0.322 0.000 0.995 18 V HN 0.282 nan 8.190 nan 0.000 0.429 19 Q N 3.033 122.879 119.800 0.076 0.000 2.296 19 Q HA 0.417 4.757 4.340 -0.001 0.000 0.262 19 Q C -0.719 175.331 176.000 0.083 0.000 0.981 19 Q CA -0.074 55.760 55.803 0.053 0.000 0.905 19 Q CB 1.731 30.500 28.738 0.053 0.000 1.186 19 Q HN 0.527 nan 8.270 nan 0.000 0.399 20 V N 1.910 121.849 119.914 0.043 0.000 2.409 20 V HA 0.519 4.638 4.120 -0.001 0.000 0.290 20 V C -0.146 176.013 176.094 0.109 0.000 1.017 20 V CA -0.986 61.352 62.300 0.062 0.000 0.841 20 V CB 1.515 33.306 31.823 -0.054 0.000 1.003 20 V HN 0.819 nan 8.190 nan 0.000 0.426 21 A N 2.985 125.889 122.820 0.141 0.000 2.354 21 A HA 0.667 4.987 4.320 -0.001 0.000 0.269 21 A C -0.044 177.616 177.584 0.127 0.000 1.109 21 A CA -0.118 51.973 52.037 0.090 0.000 0.800 21 A CB 0.516 19.533 19.000 0.029 0.000 1.045 21 A HN 0.774 nan 8.150 nan 0.000 0.489 22 D N 2.475 122.933 120.400 0.098 0.000 2.621 22 D HA 0.250 4.889 4.640 -0.001 0.000 0.274 22 D C -1.986 174.355 176.300 0.068 0.000 1.215 22 D CA -1.170 52.943 54.000 0.188 0.000 0.810 22 D CB 0.997 41.941 40.800 0.240 0.000 1.248 22 D HN 0.226 nan 8.370 nan 0.000 0.517 23 P HA -0.104 nan 4.420 nan 0.000 0.222 23 P C 0.452 177.467 177.300 -0.475 0.000 1.147 23 P CA 0.742 63.621 63.100 -0.368 0.000 0.790 23 P CB 0.122 31.432 31.700 -0.649 0.000 0.780 24 Y N -1.030 119.356 120.300 0.144 0.000 2.720 24 Y HA 0.318 4.867 4.550 -0.001 0.000 0.277 24 Y C 2.167 177.941 175.900 -0.210 0.000 1.144 24 Y CA -0.730 57.333 58.100 -0.061 0.000 1.221 24 Y CB -0.422 37.956 38.460 -0.137 0.000 1.163 24 Y HN -0.233 nan 8.280 nan 0.000 0.537 25 R N 1.569 122.094 120.500 0.043 0.000 2.133 25 R HA -0.207 4.133 4.340 -0.001 0.000 0.247 25 R C 1.993 178.286 176.300 -0.010 0.000 1.151 25 R CA 2.396 58.503 56.100 0.011 0.000 0.971 25 R CB -0.780 29.567 30.300 0.077 0.000 0.866 25 R HN 0.657 nan 8.270 nan 0.000 0.447 26 W N -0.037 121.227 121.300 -0.061 0.000 2.421 26 W HA -0.089 4.571 4.660 -0.001 0.000 0.270 26 W C 0.818 177.259 176.519 -0.131 0.000 1.233 26 W CA 0.390 57.687 57.345 -0.080 0.000 1.226 26 W CB -0.694 28.720 29.460 -0.077 0.000 1.121 26 W HN 0.094 nan 8.180 nan 0.000 0.579 27 L N 1.218 121.900 121.223 -0.902 0.000 2.551 27 L HA -0.057 4.282 4.340 -0.001 0.000 0.228 27 L C 2.378 178.944 176.870 -0.507 0.000 1.153 27 L CA 0.882 55.135 54.840 -0.977 0.000 0.851 27 L CB -0.504 40.800 42.059 -1.258 0.000 0.959 27 L HN -0.001 nan 8.230 nan 0.000 0.451 28 E N -0.223 119.776 120.200 -0.337 0.000 2.150 28 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 28 E C 0.501 177.027 176.600 -0.123 0.000 0.985 28 E CA 0.590 56.826 56.400 -0.274 0.000 0.814 28 E CB 0.036 29.640 29.700 -0.161 0.000 0.752 28 E HN 0.257 nan 8.360 nan 0.000 0.466 29 D N 1.306 121.676 120.400 -0.049 0.000 2.422 29 D HA -0.053 4.587 4.640 -0.001 0.000 0.227 29 D C 1.029 177.335 176.300 0.010 0.000 1.190 29 D CA -0.067 53.947 54.000 0.024 0.000 0.905 29 D CB 0.545 41.382 40.800 0.062 0.000 1.034 29 D HN 0.033 nan 8.370 nan 0.000 0.507 30 E N 4.032 124.236 120.200 0.006 0.000 2.409 30 E HA -0.183 4.167 4.350 -0.001 0.000 0.198 30 E C 0.478 177.097 176.600 0.032 0.000 1.024 30 E CA 0.820 57.225 56.400 0.008 0.000 0.861 30 E CB -0.026 29.674 29.700 -0.001 0.000 0.788 30 E HN 0.478 nan 8.360 nan 0.000 0.521 31 K N 0.742 121.166 120.400 0.040 0.000 2.296 31 K HA 0.167 4.486 4.320 -0.001 0.000 0.200 31 K C 0.915 177.547 176.600 0.054 0.000 1.048 31 K CA 0.654 56.966 56.287 0.043 0.000 0.966 31 K CB 0.081 32.604 32.500 0.038 0.000 0.754 31 K HN 0.127 nan 8.250 nan 0.000 0.466 32 A N 3.090 125.951 122.820 0.068 0.000 2.491 32 A HA 0.149 4.468 4.320 -0.001 0.000 0.261 32 A C -1.735 175.910 177.584 0.102 0.000 1.101 32 A CA -1.127 50.963 52.037 0.088 0.000 0.772 32 A CB 0.216 19.290 19.000 0.124 0.000 1.043 32 A HN -0.056 nan 8.150 nan 0.000 0.501 33 P HA -0.220 nan 4.420 nan 0.000 0.216 33 P C 1.342 178.721 177.300 0.131 0.000 1.150 33 P CA 1.588 64.743 63.100 0.092 0.000 0.843 33 P CB 0.253 31.993 31.700 0.066 0.000 0.787 34 E N -0.393 119.897 120.200 0.150 0.000 2.110 34 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 34 E C 1.725 178.551 176.600 0.375 0.000 0.988 34 E CA 1.101 57.629 56.400 0.214 0.000 0.804 34 E CB -0.224 29.556 29.700 0.134 0.000 0.745 34 E HN -0.000 nan 8.360 nan 0.000 0.458 35 V N 1.292 121.408 119.914 0.337 0.000 2.307 35 V HA -0.232 3.887 4.120 -0.001 0.000 0.245 35 V C 2.462 178.703 176.094 0.245 0.000 1.045 35 V CA 1.536 63.981 62.300 0.242 0.000 1.024 35 V CB -0.479 31.385 31.823 0.068 0.000 0.651 35 V HN 0.286 nan 8.190 nan 0.000 0.449 36 Q N -0.129 119.778 119.800 0.178 0.000 2.124 36 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 36 Q C 2.369 178.469 176.000 0.167 0.000 0.977 36 Q CA 2.133 58.023 55.803 0.144 0.000 0.850 36 Q CB -0.887 27.908 28.738 0.096 0.000 0.901 36 Q HN 0.620 nan 8.270 nan 0.000 0.429 37 T N 0.276 114.945 114.554 0.192 0.000 2.684 37 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 37 T C 1.260 176.099 174.700 0.231 0.000 1.036 37 T CA 1.395 63.604 62.100 0.183 0.000 1.148 37 T CB -0.441 68.533 68.868 0.178 0.000 0.863 37 T HN 0.511 nan 8.240 nan 0.000 0.436 38 W N 1.275 122.644 121.300 0.115 0.000 2.358 38 W HA -0.080 4.579 4.660 -0.001 0.000 0.303 38 W C 2.144 178.692 176.519 0.047 0.000 1.208 38 W CA 1.141 58.551 57.345 0.108 0.000 1.274 38 W CB -0.312 29.246 29.460 0.165 0.000 1.138 38 W HN 0.183 nan 8.180 nan 0.000 0.515 39 M N -0.402 119.393 119.600 0.326 0.000 2.086 39 M HA -0.233 4.247 4.480 -0.001 0.000 0.261 39 M C 2.005 178.286 176.300 -0.031 0.000 1.067 39 M CA 2.431 57.801 55.300 0.117 0.000 1.116 39 M CB -1.054 31.648 32.600 0.169 0.000 1.348 39 M HN -0.162 nan 8.290 nan 0.000 0.407 40 T N 0.646 115.211 114.554 0.019 0.000 2.720 40 T HA -0.134 4.216 4.350 -0.001 0.000 0.268 40 T C 1.847 176.519 174.700 -0.047 0.000 1.037 40 T CA 1.589 63.686 62.100 -0.006 0.000 1.144 40 T CB -0.364 68.519 68.868 0.025 0.000 0.864 40 T HN 0.507 nan 8.240 nan 0.000 0.444 41 A N 1.202 123.982 122.820 -0.067 0.000 1.898 41 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 41 A C 2.400 179.889 177.584 -0.158 0.000 1.181 41 A CA 1.060 53.045 52.037 -0.086 0.000 0.620 41 A CB -0.455 18.506 19.000 -0.066 0.000 0.819 41 A HN 0.326 nan 8.150 nan 0.000 0.442 42 Q N -0.312 119.282 119.800 -0.344 0.000 2.050 42 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 42 Q C 1.987 177.888 176.000 -0.165 0.000 0.980 42 Q CA 1.864 57.444 55.803 -0.373 0.000 0.840 42 Q CB -0.620 27.677 28.738 -0.735 0.000 0.898 42 Q HN 0.793 nan 8.270 nan 0.000 0.424 43 N N 0.595 119.207 118.700 -0.146 0.000 2.104 43 N HA -0.149 4.590 4.740 -0.001 0.000 0.190 43 N C 1.600 177.064 175.510 -0.077 0.000 1.024 43 N CA 1.692 54.686 53.050 -0.092 0.000 0.853 43 N CB -0.148 38.298 38.487 -0.067 0.000 1.008 43 N HN 0.220 nan 8.380 nan 0.000 0.424 44 A N -0.690 122.092 122.820 -0.062 0.000 1.902 44 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 44 A C 2.131 179.674 177.584 -0.068 0.000 1.181 44 A CA 1.855 53.857 52.037 -0.059 0.000 0.623 44 A CB -1.185 17.791 19.000 -0.042 0.000 0.818 44 A HN 0.649 nan 8.150 nan 0.000 0.443 45 H N 0.135 119.124 119.070 -0.135 0.000 2.353 45 H HA 0.022 4.578 4.556 -0.001 0.000 0.300 45 H C 2.131 177.382 175.328 -0.128 0.000 1.090 45 H CA 1.965 57.928 56.048 -0.142 0.000 1.327 45 H CB -0.307 29.395 29.762 -0.099 0.000 1.383 45 H HN 0.371 nan 8.280 nan 0.000 0.508 46 A N 1.093 123.789 122.820 -0.208 0.000 1.877 46 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 46 A C 2.378 179.811 177.584 -0.252 0.000 1.186 46 A CA 1.603 53.498 52.037 -0.237 0.000 0.620 46 A CB -0.306 18.616 19.000 -0.130 0.000 0.822 46 A HN 0.345 nan 8.150 nan 0.000 0.443 47 R N -0.215 120.171 120.500 -0.190 0.000 2.092 47 R HA -0.110 4.230 4.340 -0.001 0.000 0.231 47 R C 2.026 178.198 176.300 -0.214 0.000 1.119 47 R CA 1.471 57.471 56.100 -0.168 0.000 0.970 47 R CB -0.951 29.283 30.300 -0.110 0.000 0.864 47 R HN 0.853 nan 8.270 nan 0.000 0.440 48 E N 0.646 120.704 120.200 -0.236 0.000 2.077 48 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 48 E C 1.822 178.220 176.600 -0.337 0.000 0.989 48 E CA 1.197 57.449 56.400 -0.246 0.000 0.800 48 E CB 0.023 29.586 29.700 -0.227 0.000 0.746 48 E HN 0.290 nan 8.360 nan 0.000 0.452 49 A N 0.902 123.445 122.820 -0.462 0.000 1.873 49 A HA -0.126 4.194 4.320 -0.001 0.000 0.215 49 A C 2.192 179.188 177.584 -0.980 0.000 1.186 49 A CA 1.052 52.745 52.037 -0.572 0.000 0.616 49 A CB -0.669 18.029 19.000 -0.503 0.000 0.823 49 A HN 0.306 nan 8.150 nan 0.000 0.442 50 L N -0.622 120.143 121.223 -0.764 0.000 2.083 50 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 50 L C 2.979 179.554 176.870 -0.491 0.000 1.083 50 L CA 1.034 55.439 54.840 -0.725 0.000 0.752 50 L CB -0.406 41.513 42.059 -0.234 0.000 0.899 50 L HN 0.434 nan 8.230 nan 0.000 0.433 51 A N -0.384 122.237 122.820 -0.333 0.000 2.067 51 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 51 A C 2.170 179.672 177.584 -0.137 0.000 1.158 51 A CA 1.280 53.216 52.037 -0.169 0.000 0.661 51 A CB -0.260 18.661 19.000 -0.131 0.000 0.801 51 A HN 0.351 nan 8.150 nan 0.000 0.452 52 K N -1.178 119.082 120.400 -0.233 0.000 2.426 52 K HA 0.147 4.467 4.320 -0.001 0.000 0.193 52 K C -0.618 176.050 176.600 0.112 0.000 1.028 52 K CA -0.248 55.991 56.287 -0.081 0.000 1.047 52 K CB 0.076 32.521 32.500 -0.091 0.000 0.821 52 K HN 0.374 nan 8.250 nan 0.000 0.513 53 F N 2.336 122.323 119.950 0.061 0.000 2.406 53 F HA 0.185 4.712 4.527 -0.001 0.000 0.327 53 F C -1.680 174.190 175.800 0.117 0.000 1.153 53 F CA -3.436 54.621 58.000 0.095 0.000 1.218 53 F CB -0.324 38.748 39.000 0.120 0.000 1.215 53 F HN -0.083 nan 8.300 nan 0.000 0.570 54 P HA 0.278 nan 4.420 nan 0.000 0.276 54 P C 0.395 177.889 177.300 0.323 0.000 1.244 54 P CA 0.002 63.249 63.100 0.245 0.000 0.801 54 P CB 1.049 32.845 31.700 0.160 0.000 1.006 55 G N 1.533 110.465 108.800 0.220 0.000 2.162 55 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.260 55 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.260 55 G C 1.143 176.183 174.900 0.234 0.000 0.976 55 G CA 0.364 45.610 45.100 0.243 0.000 0.655 55 G HN 0.546 nan 8.290 nan 0.000 0.533 56 R N -0.024 120.592 120.500 0.193 0.000 2.092 56 R HA 0.063 4.402 4.340 -0.001 0.000 0.231 56 R C 2.251 178.612 176.300 0.101 0.000 1.119 56 R CA 1.430 57.625 56.100 0.158 0.000 0.970 56 R CB -0.233 30.149 30.300 0.137 0.000 0.864 56 R HN 0.584 nan 8.270 nan 0.000 0.440 57 E N 0.771 121.015 120.200 0.073 0.000 2.072 57 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 57 E C 1.931 178.543 176.600 0.021 0.000 0.985 57 E CA 1.101 57.526 56.400 0.042 0.000 0.801 57 E CB 0.009 29.728 29.700 0.031 0.000 0.750 57 E HN 0.368 nan 8.360 nan 0.000 0.452 58 A N 0.760 123.592 122.820 0.019 0.000 1.898 58 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 58 A C 2.153 179.688 177.584 -0.081 0.000 1.181 58 A CA 0.912 52.937 52.037 -0.020 0.000 0.620 58 A CB -0.555 18.439 19.000 -0.009 0.000 0.819 58 A HN 0.282 nan 8.150 nan 0.000 0.442 59 L N -0.786 120.406 121.223 -0.052 0.000 2.017 59 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 59 L C 3.113 179.862 176.870 -0.201 0.000 1.073 59 L CA 1.110 55.818 54.840 -0.220 0.000 0.745 59 L CB -0.523 41.550 42.059 0.022 0.000 0.894 59 L HN 0.433 nan 8.230 nan 0.000 0.432 60 A N -0.097 122.725 122.820 0.005 0.000 1.902 60 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 60 A C 2.510 180.094 177.584 -0.001 0.000 1.181 60 A CA 1.700 53.773 52.037 0.059 0.000 0.623 60 A CB -0.684 18.361 19.000 0.075 0.000 0.818 60 A HN 0.410 nan 8.150 nan 0.000 0.443 61 A N -0.356 122.442 122.820 -0.037 0.000 1.902 61 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 61 A C 2.203 179.741 177.584 -0.077 0.000 1.181 61 A CA 2.094 54.109 52.037 -0.036 0.000 0.623 61 A CB -0.404 18.576 19.000 -0.033 0.000 0.818 61 A HN 0.432 nan 8.150 nan 0.000 0.443 62 R N -0.951 119.440 120.500 -0.183 0.000 2.073 62 R HA -0.001 4.338 4.340 -0.001 0.000 0.229 62 R C 1.533 177.675 176.300 -0.265 0.000 1.120 62 R CA 1.468 57.423 56.100 -0.241 0.000 0.967 62 R CB -0.895 29.187 30.300 -0.363 0.000 0.862 62 R HN 0.437 nan 8.270 nan 0.000 0.436 63 F N 0.931 120.705 119.950 -0.293 0.000 2.234 63 F HA 0.040 4.567 4.527 -0.001 0.000 0.299 63 F C 2.152 177.659 175.800 -0.490 0.000 1.087 63 F CA 1.195 58.787 58.000 -0.679 0.000 1.340 63 F CB -0.569 37.877 39.000 -0.924 0.000 1.031 63 F HN 0.097 nan 8.300 nan 0.000 0.500 64 K N 0.675 121.072 120.400 -0.005 0.000 2.057 64 K HA -0.230 4.089 4.320 -0.001 0.000 0.207 64 K C 2.141 178.866 176.600 0.209 0.000 1.049 64 K CA 1.665 58.049 56.287 0.161 0.000 0.931 64 K CB -0.214 32.387 32.500 0.169 0.000 0.714 64 K HN 0.298 nan 8.250 nan 0.000 0.440 65 E N 0.348 120.608 120.200 0.102 0.000 2.106 65 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 65 E C 1.963 178.654 176.600 0.152 0.000 0.984 65 E CA 0.931 57.397 56.400 0.110 0.000 0.806 65 E CB 0.075 29.805 29.700 0.050 0.000 0.750 65 E HN 0.341 nan 8.360 nan 0.000 0.458 66 L N -0.456 120.853 121.223 0.143 0.000 2.162 66 L HA -0.035 4.305 4.340 -0.001 0.000 0.205 66 L C 2.044 179.155 176.870 0.403 0.000 1.086 66 L CA 0.319 55.309 54.840 0.251 0.000 0.778 66 L CB -0.139 42.086 42.059 0.276 0.000 0.928 66 L HN 0.151 nan 8.230 nan 0.000 0.446 67 F N -1.122 118.874 119.950 0.077 0.000 2.569 67 F HA 0.053 4.580 4.527 -0.001 0.000 0.295 67 F C 0.683 176.399 175.800 -0.141 0.000 1.115 67 F CA -0.689 57.270 58.000 -0.068 0.000 1.450 67 F CB -0.678 38.211 39.000 -0.185 0.000 1.107 67 F HN -0.101 nan 8.300 nan 0.000 0.563 68 Y N 0.975 121.418 120.300 0.237 0.000 2.404 68 Y HA 0.381 4.930 4.550 -0.000 0.000 0.344 68 Y C 0.923 176.891 175.900 0.113 0.000 0.995 68 Y CA -0.751 57.433 58.100 0.141 0.000 1.201 68 Y CB 0.422 38.948 38.460 0.110 0.000 1.151 68 Y HN -0.136 nan 8.280 nan 0.000 0.517 69 T N -0.634 114.045 114.554 0.209 0.000 2.906 69 T HA 0.463 4.813 4.350 -0.001 0.000 0.295 69 T C -1.024 173.730 174.700 0.091 0.000 1.075 69 T CA -1.228 60.950 62.100 0.130 0.000 1.005 69 T CB 1.975 70.895 68.868 0.087 0.000 1.136 69 T HN 0.297 nan 8.240 nan 0.000 0.498 70 D N 2.005 122.436 120.400 0.052 0.000 2.274 70 D HA 0.565 5.205 4.640 -0.001 0.000 0.239 70 D C -0.135 176.145 176.300 -0.033 0.000 1.104 70 D CA -0.039 53.963 54.000 0.004 0.000 0.840 70 D CB 1.620 42.426 40.800 0.010 0.000 1.100 70 D HN 0.791 nan 8.370 nan 0.000 0.477 71 S N 0.417 116.076 115.700 -0.069 0.000 2.607 71 S HA 0.700 5.170 4.470 -0.001 0.000 0.273 71 S C -1.159 173.401 174.600 -0.067 0.000 1.148 71 S CA -0.841 57.325 58.200 -0.056 0.000 0.833 71 S CB 2.271 65.460 63.200 -0.018 0.000 1.130 71 S HN 0.207 nan 8.310 nan 0.000 0.470 72 V N 1.613 121.511 119.914 -0.026 0.000 2.841 72 V HA 0.832 4.952 4.120 -0.001 0.000 0.310 72 V C -0.121 176.063 176.094 0.151 0.000 1.090 72 V CA 0.097 62.422 62.300 0.042 0.000 0.930 72 V CB 2.088 33.868 31.823 -0.071 0.000 1.014 72 V HN 1.502 nan 8.190 nan 0.000 0.425 73 S N 3.503 119.339 115.700 0.227 0.000 2.713 73 S HA 0.591 5.061 4.470 -0.001 0.000 0.283 73 S C 0.161 174.891 174.600 0.217 0.000 1.161 73 S CA 0.118 58.447 58.200 0.216 0.000 0.999 73 S CB 1.368 64.704 63.200 0.227 0.000 1.039 73 S HN 1.477 nan 8.310 nan 0.000 0.548 74 T N 0.484 115.059 114.554 0.035 0.000 2.928 74 T HA 0.384 4.733 4.350 -0.001 0.000 0.305 74 T C -2.414 172.199 174.700 -0.145 0.000 1.035 74 T CA -1.056 60.874 62.100 -0.284 0.000 1.145 74 T CB -0.097 68.603 68.868 -0.279 0.000 0.963 74 T HN 0.626 nan 8.240 nan 0.000 0.545 75 P HA 0.315 nan 4.420 nan 0.000 0.284 75 P C -0.742 176.604 177.300 0.077 0.000 1.253 75 P CA -0.665 62.489 63.100 0.090 0.000 0.800 75 P CB 0.997 32.794 31.700 0.161 0.000 0.961 76 S N 2.733 118.611 115.700 0.297 0.000 2.475 76 S HA 0.357 4.826 4.470 -0.001 0.000 0.281 76 S C 0.195 174.925 174.600 0.216 0.000 1.198 76 S CA -0.540 57.791 58.200 0.218 0.000 1.063 76 S CB 0.289 63.657 63.200 0.280 0.000 0.972 76 S HN 0.305 nan 8.310 nan 0.000 0.486 77 R N 2.610 123.131 120.500 0.035 0.000 2.387 77 R HA 0.529 4.868 4.340 -0.001 0.000 0.314 77 R C -0.581 175.738 176.300 0.032 0.000 0.958 77 R CA -0.753 55.267 56.100 -0.133 0.000 0.846 77 R CB 1.007 31.109 30.300 -0.330 0.000 1.147 77 R HN 0.367 nan 8.270 nan 0.000 0.447 78 R N 2.478 123.043 120.500 0.110 0.000 2.510 78 R HA 0.149 4.489 4.340 -0.001 0.000 0.294 78 R C -0.533 175.866 176.300 0.165 0.000 1.056 78 R CA -1.120 55.070 56.100 0.150 0.000 0.918 78 R CB 1.288 31.622 30.300 0.056 0.000 1.187 78 R HN 0.705 nan 8.270 nan 0.000 0.437 79 N N 1.394 120.186 118.700 0.153 0.000 2.727 79 N HA -0.243 4.497 4.740 -0.001 0.000 0.249 79 N C 0.715 176.310 175.510 0.142 0.000 1.048 79 N CA 1.866 55.000 53.050 0.141 0.000 0.714 79 N CB -0.886 37.681 38.487 0.135 0.000 0.959 79 N HN 1.081 nan 8.380 nan 0.000 0.544 80 G N -1.484 107.387 108.800 0.119 0.000 2.176 80 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.253 80 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.253 80 G C 0.212 175.254 174.900 0.235 0.000 0.979 80 G CA 0.558 45.755 45.100 0.162 0.000 0.641 80 G HN 0.662 nan 8.290 nan 0.000 0.530 81 R N -0.826 119.802 120.500 0.215 0.000 2.540 81 R HA 0.705 5.044 4.340 -0.001 0.000 0.287 81 R C -0.931 175.471 176.300 0.170 0.000 0.980 81 R CA -0.612 55.662 56.100 0.289 0.000 0.966 81 R CB 0.804 31.277 30.300 0.288 0.000 1.106 81 R HN 0.061 nan 8.270 nan 0.000 0.480 82 F N 1.715 121.696 119.950 0.050 0.000 2.495 82 F HA 0.470 4.997 4.527 -0.001 0.000 0.327 82 F C -0.578 175.210 175.800 -0.020 0.000 1.103 82 F CA -0.632 57.477 58.000 0.180 0.000 0.949 82 F CB 1.220 40.376 39.000 0.259 0.000 1.142 82 F HN 0.284 nan 8.300 nan 0.000 0.457 83 F N 3.331 123.602 119.950 0.535 0.000 2.529 83 F HA 0.633 5.160 4.527 -0.000 0.000 0.320 83 F C -0.872 175.160 175.800 0.387 0.000 1.118 83 F CA -1.258 56.914 58.000 0.287 0.000 0.915 83 F CB 1.585 40.693 39.000 0.180 0.000 1.161 83 F HN 0.401 nan 8.300 nan 0.000 0.445 84 Y N -0.251 120.236 120.300 0.310 0.000 2.641 84 Y HA 0.737 5.286 4.550 -0.001 0.000 0.333 84 Y C -2.022 173.999 175.900 0.203 0.000 1.174 84 Y CA -1.766 56.514 58.100 0.300 0.000 1.057 84 Y CB 0.480 39.109 38.460 0.282 0.000 1.322 84 Y HN 0.273 nan 8.280 nan 0.000 0.457 85 V N 3.190 123.292 119.914 0.313 0.000 2.472 85 V HA 0.621 4.740 4.120 -0.001 0.000 0.290 85 V C -0.158 176.065 176.094 0.215 0.000 1.037 85 V CA -0.807 61.609 62.300 0.195 0.000 0.908 85 V CB 1.477 33.415 31.823 0.191 0.000 0.985 85 V HN 0.800 nan 8.190 nan 0.000 0.454 86 R N 1.804 122.394 120.500 0.149 0.000 2.711 86 R HA 0.672 5.012 4.340 -0.001 0.000 0.284 86 R C -0.323 175.890 176.300 -0.146 0.000 0.968 86 R CA -0.599 55.475 56.100 -0.044 0.000 0.924 86 R CB 2.193 32.339 30.300 -0.256 0.000 1.162 86 R HN 0.854 nan 8.270 nan 0.000 0.465 87 T N -1.131 113.306 114.554 -0.196 0.000 2.929 87 T HA 0.452 4.801 4.350 -0.001 0.000 0.284 87 T C -0.248 174.250 174.700 -0.337 0.000 1.014 87 T CA -0.830 61.159 62.100 -0.184 0.000 1.051 87 T CB 1.464 70.306 68.868 -0.043 0.000 1.028 87 T HN 0.433 nan 8.240 nan 0.000 0.485 88 H N 0.590 119.711 119.070 0.084 0.000 2.747 88 H HA 0.415 4.971 4.556 -0.000 0.000 0.371 88 H C 0.543 175.937 175.328 0.110 0.000 1.161 88 H CA -0.949 55.142 56.048 0.072 0.000 1.167 88 H CB 2.242 32.039 29.762 0.059 0.000 1.732 88 H HN 0.686 nan 8.280 nan 0.000 0.544 89 K N 0.446 120.974 120.400 0.214 0.000 2.362 89 K HA -0.093 4.226 4.320 -0.001 0.000 0.200 89 K C 0.278 176.897 176.600 0.031 0.000 1.046 89 K CA 1.305 57.693 56.287 0.168 0.000 0.952 89 K CB 0.240 32.797 32.500 0.094 0.000 0.753 89 K HN 0.520 nan 8.250 nan 0.000 0.466 90 D N 0.023 120.447 120.400 0.041 0.000 2.501 90 D HA 0.045 4.684 4.640 -0.001 0.000 0.226 90 D C -0.174 176.136 176.300 0.018 0.000 1.198 90 D CA -0.148 53.816 54.000 -0.060 0.000 0.830 90 D CB 0.354 41.117 40.800 -0.062 0.000 1.014 90 D HN -0.207 nan 8.370 nan 0.000 0.496 91 K N 0.445 120.932 120.400 0.144 0.000 2.426 91 K HA 0.253 4.572 4.320 -0.001 0.000 0.251 91 K C 0.618 177.362 176.600 0.241 0.000 0.941 91 K CA -0.559 55.824 56.287 0.160 0.000 0.808 91 K CB 2.547 35.147 32.500 0.168 0.000 1.265 91 K HN -0.213 nan 8.250 nan 0.000 0.432 92 E N 1.312 121.613 120.200 0.168 0.000 2.299 92 E HA 0.012 4.361 4.350 -0.001 0.000 0.193 92 E C -0.319 176.314 176.600 0.056 0.000 0.998 92 E CA 0.990 57.478 56.400 0.146 0.000 0.851 92 E CB 0.407 30.169 29.700 0.103 0.000 0.795 92 E HN 0.373 nan 8.360 nan 0.000 0.492 93 K N -0.361 120.054 120.400 0.025 0.000 2.469 93 K HA 0.587 4.907 4.320 -0.001 0.000 0.254 93 K C -0.758 175.826 176.600 -0.027 0.000 0.939 93 K CA -0.612 55.658 56.287 -0.028 0.000 0.812 93 K CB 2.527 34.973 32.500 -0.090 0.000 1.301 93 K HN -0.080 nan 8.250 nan 0.000 0.433 94 A N 2.392 125.190 122.820 -0.038 0.000 2.406 94 A HA 0.421 4.740 4.320 -0.001 0.000 0.243 94 A C -0.221 177.317 177.584 -0.077 0.000 1.082 94 A CA 0.033 52.051 52.037 -0.031 0.000 0.786 94 A CB -0.031 18.962 19.000 -0.011 0.000 1.029 94 A HN 0.643 nan 8.150 nan 0.000 0.495 95 I N 0.827 121.373 120.570 -0.039 0.000 2.608 95 I HA 0.276 4.446 4.170 -0.001 0.000 0.295 95 I C -0.883 175.148 176.117 -0.142 0.000 1.049 95 I CA -0.793 60.429 61.300 -0.130 0.000 1.063 95 I CB 1.905 39.870 38.000 -0.059 0.000 1.248 95 I HN 0.556 nan 8.210 nan 0.000 0.424 96 L N 6.972 127.996 121.223 -0.332 0.000 2.265 96 L HA 0.434 4.774 4.340 -0.001 0.000 0.288 96 L C -1.291 175.306 176.870 -0.455 0.000 1.058 96 L CA 0.239 54.839 54.840 -0.400 0.000 0.809 96 L CB 0.149 41.833 42.059 -0.625 0.000 1.179 96 L HN 0.289 nan 8.230 nan 0.000 0.429 97 Y N 4.452 124.499 120.300 -0.422 0.000 2.528 97 Y HA 0.661 5.210 4.550 -0.001 0.000 0.335 97 Y C -0.276 175.324 175.900 -0.500 0.000 1.093 97 Y CA -0.218 57.615 58.100 -0.444 0.000 1.134 97 Y CB 1.559 39.661 38.460 -0.596 0.000 1.253 97 Y HN 0.664 nan 8.280 nan 0.000 0.478 98 W N 2.110 123.206 121.300 -0.340 0.000 3.062 98 W HA 0.788 5.448 4.660 -0.000 0.000 0.336 98 W C -1.891 174.534 176.519 -0.157 0.000 1.224 98 W CA -1.330 55.757 57.345 -0.430 0.000 1.159 98 W CB 1.768 30.831 29.460 -0.662 0.000 1.454 98 W HN 0.713 nan 8.180 nan 0.000 0.569 99 R N 1.281 121.707 120.500 -0.123 0.000 2.739 99 R HA 0.491 4.830 4.340 -0.001 0.000 0.271 99 R C -1.488 174.825 176.300 0.021 0.000 1.010 99 R CA -1.026 54.891 56.100 -0.305 0.000 0.897 99 R CB 1.872 32.108 30.300 -0.107 0.000 1.236 99 R HN 0.348 nan 8.270 nan 0.000 0.466 100 Q N 1.294 121.054 119.800 -0.067 0.000 2.406 100 Q HA 0.444 4.784 4.340 -0.001 0.000 0.242 100 Q C 0.040 176.130 176.000 0.150 0.000 1.036 100 Q CA 1.168 57.076 55.803 0.175 0.000 0.904 100 Q CB 0.848 29.670 28.738 0.141 0.000 1.244 100 Q HN 0.971 nan 8.270 nan 0.000 0.478 101 G N 2.893 111.868 108.800 0.292 0.000 2.860 101 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.553 101 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.553 101 G C 0.297 175.203 174.900 0.010 0.000 1.439 101 G CA -0.068 45.198 45.100 0.275 0.000 0.879 101 G HN 0.667 nan 8.290 nan 0.000 0.545 102 E N -0.248 119.864 120.200 -0.147 0.000 2.204 102 E HA -0.093 4.256 4.350 -0.001 0.000 0.194 102 E C 2.687 179.150 176.600 -0.228 0.000 0.989 102 E CA 1.531 57.669 56.400 -0.437 0.000 0.824 102 E CB -0.075 29.457 29.700 -0.279 0.000 0.756 102 E HN 0.680 nan 8.360 nan 0.000 0.477 103 S N -0.440 115.195 115.700 -0.109 0.000 2.524 103 S HA 0.094 4.563 4.470 -0.001 0.000 0.216 103 S C 1.053 175.602 174.600 -0.085 0.000 0.987 103 S CA -0.031 58.119 58.200 -0.083 0.000 0.909 103 S CB 0.449 63.625 63.200 -0.040 0.000 0.781 103 S HN 0.136 nan 8.310 nan 0.000 0.521 104 G N 1.615 110.364 108.800 -0.085 0.000 2.527 104 G HA2 0.420 4.380 3.960 -0.001 0.000 0.248 104 G HA3 0.420 4.380 3.960 -0.001 0.000 0.248 104 G C -0.455 174.359 174.900 -0.142 0.000 1.231 104 G CA -0.520 44.519 45.100 -0.102 0.000 0.838 104 G HN 0.249 nan 8.290 nan 0.000 0.570 105 Q N 0.565 120.275 119.800 -0.150 0.000 2.313 105 Q HA 0.123 4.463 4.340 -0.001 0.000 0.266 105 Q C 0.803 176.671 176.000 -0.220 0.000 0.989 105 Q CA 0.011 55.722 55.803 -0.152 0.000 0.890 105 Q CB 1.204 29.871 28.738 -0.119 0.000 1.200 105 Q HN 0.852 nan 8.270 nan 0.000 0.396 106 E N 1.228 121.329 120.200 -0.164 0.000 2.374 106 E HA 0.416 4.765 4.350 -0.001 0.000 0.260 106 E C -0.925 175.577 176.600 -0.163 0.000 1.101 106 E CA -0.435 55.864 56.400 -0.168 0.000 0.907 106 E CB 0.819 30.524 29.700 0.009 0.000 1.014 106 E HN 0.226 nan 8.360 nan 0.000 0.427 107 K N 1.249 121.499 120.400 -0.249 0.000 2.464 107 K HA 0.306 4.625 4.320 -0.001 0.000 0.253 107 K C -1.309 175.236 176.600 -0.092 0.000 0.933 107 K CA -0.864 55.310 56.287 -0.188 0.000 0.801 107 K CB 2.501 34.777 32.500 -0.374 0.000 1.271 107 K HN 0.328 nan 8.250 nan 0.000 0.430 108 V N 4.087 123.912 119.914 -0.148 0.000 2.529 108 V HA -0.031 4.089 4.120 -0.001 0.000 0.292 108 V C 0.654 176.679 176.094 -0.115 0.000 1.028 108 V CA 0.217 62.280 62.300 -0.395 0.000 1.074 108 V CB 0.756 32.374 31.823 -0.340 0.000 0.958 108 V HN 0.658 nan 8.190 nan 0.000 0.481 109 L N 5.892 127.034 121.223 -0.135 0.000 2.356 109 L HA 0.447 4.787 4.340 -0.001 0.000 0.193 109 L C 0.340 177.159 176.870 -0.085 0.000 1.087 109 L CA 1.439 56.278 54.840 -0.002 0.000 0.817 109 L CB 0.310 42.373 42.059 0.008 0.000 1.035 109 L HN 0.474 nan 8.230 nan 0.000 0.482 110 L N 0.677 121.772 121.223 -0.214 0.000 2.406 110 L HA 0.399 4.739 4.340 -0.001 0.000 0.272 110 L C -1.496 175.224 176.870 -0.249 0.000 0.980 110 L CA -0.566 54.185 54.840 -0.147 0.000 0.831 110 L CB 1.795 43.672 42.059 -0.302 0.000 1.253 110 L HN -0.013 nan 8.230 nan 0.000 0.406 111 D N 5.077 125.364 120.400 -0.188 0.000 2.446 111 D HA 0.320 4.960 4.640 -0.001 0.000 0.251 111 D C -1.923 173.960 176.300 -0.695 0.000 1.137 111 D CA -1.971 51.823 54.000 -0.344 0.000 0.890 111 D CB 1.931 42.617 40.800 -0.190 0.000 1.071 111 D HN 0.116 nan 8.370 nan 0.000 0.528 112 P HA -0.030 nan 4.420 nan 0.000 0.230 112 P C 0.896 177.818 177.300 -0.630 0.000 1.158 112 P CA 0.401 62.563 63.100 -1.563 0.000 0.769 112 P CB 0.329 31.288 31.700 -1.235 0.000 0.807 113 N N 0.071 118.558 118.700 -0.355 0.000 2.364 113 N HA -0.080 4.659 4.740 -0.001 0.000 0.183 113 N C 1.715 177.178 175.510 -0.078 0.000 1.022 113 N CA 1.477 54.438 53.050 -0.147 0.000 0.883 113 N CB -0.556 37.882 38.487 -0.083 0.000 0.965 113 N HN 0.250 nan 8.380 nan 0.000 0.438 114 G N -1.557 107.192 108.800 -0.086 0.000 3.189 114 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.225 114 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.225 114 G C 0.486 175.531 174.900 0.243 0.000 1.159 114 G CA -0.340 44.795 45.100 0.059 0.000 0.763 114 G HN 0.229 nan 8.290 nan 0.000 0.549 115 W N 1.706 123.009 121.300 0.006 0.000 3.197 115 W HA 0.360 5.019 4.660 -0.001 0.000 0.274 115 W C 1.041 177.564 176.519 0.006 0.000 1.297 115 W CA -0.399 56.955 57.345 0.015 0.000 1.662 115 W CB -0.337 29.173 29.460 0.083 0.000 1.106 115 W HN 0.262 nan 8.180 nan 0.000 0.663 116 S N -2.043 113.785 115.700 0.214 0.000 2.615 116 S HA 0.355 4.824 4.470 -0.001 0.000 0.269 116 S C 0.404 175.051 174.600 0.077 0.000 1.161 116 S CA -0.750 57.523 58.200 0.122 0.000 0.817 116 S CB 2.248 65.520 63.200 0.121 0.000 1.131 116 S HN -0.229 nan 8.310 nan 0.000 0.467 117 K N 0.832 121.264 120.400 0.054 0.000 2.155 117 K HA 0.057 4.377 4.320 -0.001 0.000 0.203 117 K C 0.503 177.125 176.600 0.037 0.000 1.052 117 K CA 2.141 58.451 56.287 0.039 0.000 0.948 117 K CB -0.357 32.161 32.500 0.030 0.000 0.728 117 K HN 0.772 nan 8.250 nan 0.000 0.448 118 D N -2.586 117.840 120.400 0.042 0.000 2.563 118 D HA 0.219 4.858 4.640 -0.001 0.000 0.237 118 D C 0.426 176.751 176.300 0.041 0.000 1.282 118 D CA 0.239 54.263 54.000 0.038 0.000 0.816 118 D CB -0.064 40.758 40.800 0.037 0.000 1.066 118 D HN 0.129 nan 8.370 nan 0.000 0.501 119 G N 1.066 109.893 108.800 0.045 0.000 2.225 119 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.264 119 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.264 119 G C 0.668 175.594 174.900 0.045 0.000 1.060 119 G CA 0.653 45.776 45.100 0.039 0.000 0.833 119 G HN 0.642 nan 8.290 nan 0.000 0.498 120 T N -3.496 111.093 114.554 0.060 0.000 3.174 120 T HA 0.572 4.922 4.350 -0.001 0.000 0.269 120 T C 0.248 174.992 174.700 0.074 0.000 1.017 120 T CA 0.281 62.409 62.100 0.047 0.000 0.899 120 T CB 1.159 70.041 68.868 0.024 0.000 1.077 120 T HN 0.815 nan 8.240 nan 0.000 0.552 121 V N 1.266 121.265 119.914 0.142 0.000 2.531 121 V HA 0.615 4.735 4.120 -0.001 0.000 0.301 121 V C -0.292 175.976 176.094 0.290 0.000 1.034 121 V CA -0.753 61.688 62.300 0.234 0.000 0.865 121 V CB 1.925 33.946 31.823 0.330 0.000 0.995 121 V HN 0.360 nan 8.190 nan 0.000 0.424 122 S N 3.546 119.406 115.700 0.267 0.000 2.638 122 S HA 0.700 5.170 4.470 -0.001 0.000 0.298 122 S C -0.571 174.253 174.600 0.374 0.000 1.111 122 S CA -0.512 57.806 58.200 0.197 0.000 1.027 122 S CB 1.749 65.025 63.200 0.128 0.000 1.064 122 S HN 0.637 nan 8.310 nan 0.000 0.525 123 L N 2.810 124.154 121.223 0.202 0.000 2.319 123 L HA 0.596 4.936 4.340 -0.001 0.000 0.280 123 L C 0.685 177.725 176.870 0.284 0.000 1.099 123 L CA 0.487 55.526 54.840 0.332 0.000 0.828 123 L CB 0.048 42.160 42.059 0.087 0.000 1.150 123 L HN 0.729 nan 8.230 nan 0.000 0.442 124 G N 2.892 111.888 108.800 0.325 0.000 3.022 124 G HA2 0.158 4.118 3.960 -0.001 0.000 0.157 124 G HA3 0.158 4.118 3.960 -0.001 0.000 0.157 124 G C -0.283 174.774 174.900 0.261 0.000 1.468 124 G CA -0.086 45.155 45.100 0.236 0.000 1.058 124 G HN 0.625 nan 8.290 nan 0.000 0.581 125 T N 1.252 115.904 114.554 0.164 0.000 2.903 125 T HA 0.373 4.722 4.350 -0.001 0.000 0.314 125 T C -0.591 174.245 174.700 0.226 0.000 1.078 125 T CA 0.160 62.309 62.100 0.081 0.000 1.114 125 T CB -0.167 68.709 68.868 0.013 0.000 0.987 125 T HN 0.414 nan 8.240 nan 0.000 0.548 126 W N 1.453 122.778 121.300 0.043 0.000 3.127 126 W HA 0.714 5.374 4.660 0.000 0.000 0.330 126 W C -1.660 174.845 176.519 -0.024 0.000 1.187 126 W CA -1.640 55.727 57.345 0.037 0.000 1.198 126 W CB 1.000 30.490 29.460 0.051 0.000 1.408 126 W HN 0.819 nan 8.180 nan 0.000 0.529 127 A N 2.566 125.511 122.820 0.209 0.000 2.414 127 A HA 0.597 4.917 4.320 -0.001 0.000 0.286 127 A C -1.385 176.287 177.584 0.148 0.000 1.073 127 A CA -0.612 51.471 52.037 0.078 0.000 0.727 127 A CB 1.299 20.320 19.000 0.033 0.000 1.215 127 A HN 0.458 nan 8.150 nan 0.000 0.430 128 V N 2.685 122.506 119.914 -0.155 0.000 2.546 128 V HA 0.453 4.573 4.120 -0.001 0.000 0.284 128 V C 1.132 176.680 176.094 -0.910 0.000 1.050 128 V CA -0.006 61.972 62.300 -0.537 0.000 0.981 128 V CB 1.409 32.755 31.823 -0.796 0.000 0.990 128 V HN 1.105 nan 8.190 nan 0.000 0.474 129 S N 2.860 117.742 115.700 -1.364 0.000 2.584 129 S HA 0.084 4.554 4.470 -0.001 0.000 0.270 129 S C 0.530 174.649 174.600 -0.802 0.000 1.346 129 S CA -0.192 57.013 58.200 -1.658 0.000 1.018 129 S CB 0.210 62.378 63.200 -1.719 0.000 0.899 129 S HN 0.681 nan 8.310 nan 0.000 0.542 130 W N 0.555 121.681 121.300 -0.289 0.000 2.392 130 W HA -0.025 4.635 4.660 -0.001 0.000 0.279 130 W C 1.829 178.300 176.519 -0.081 0.000 1.225 130 W CA 0.774 58.062 57.345 -0.095 0.000 1.233 130 W CB -0.266 29.210 29.460 0.026 0.000 1.122 130 W HN 0.883 nan 8.180 nan 0.000 0.561 131 D N -0.945 119.482 120.400 0.045 0.000 2.340 131 D HA 0.078 4.717 4.640 -0.001 0.000 0.220 131 D C 1.859 178.152 176.300 -0.011 0.000 1.039 131 D CA 0.836 54.856 54.000 0.035 0.000 0.866 131 D CB -0.604 40.209 40.800 0.021 0.000 0.913 131 D HN 0.146 nan 8.370 nan 0.000 0.523 132 G N 0.802 109.543 108.800 -0.098 0.000 2.155 132 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.257 132 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.257 132 G C 0.989 175.833 174.900 -0.093 0.000 0.983 132 G CA 0.631 45.713 45.100 -0.030 0.000 0.676 132 G HN 0.484 nan 8.290 nan 0.000 0.528 133 K N -0.878 119.405 120.400 -0.195 0.000 2.352 133 K HA 0.142 4.462 4.320 -0.001 0.000 0.194 133 K C 0.664 177.126 176.600 -0.229 0.000 1.038 133 K CA 0.457 56.633 56.287 -0.185 0.000 1.023 133 K CB 0.307 32.738 32.500 -0.115 0.000 0.840 133 K HN 0.178 nan 8.250 nan 0.000 0.519 134 K N 1.105 121.295 120.400 -0.350 0.000 2.469 134 K HA 0.419 4.739 4.320 -0.001 0.000 0.254 134 K C -0.996 175.410 176.600 -0.324 0.000 0.939 134 K CA -0.769 55.351 56.287 -0.278 0.000 0.812 134 K CB 2.822 35.172 32.500 -0.249 0.000 1.301 134 K HN -0.283 nan 8.250 nan 0.000 0.433 135 V N 1.098 120.964 119.914 -0.080 0.000 2.483 135 V HA 0.480 4.600 4.120 -0.001 0.000 0.297 135 V C -0.411 175.846 176.094 0.273 0.000 1.027 135 V CA -1.148 61.168 62.300 0.027 0.000 0.855 135 V CB 1.660 33.425 31.823 -0.096 0.000 0.995 135 V HN 0.871 nan 8.190 nan 0.000 0.424 136 A N 5.847 128.865 122.820 0.330 0.000 2.328 136 A HA 0.924 5.243 4.320 -0.001 0.000 0.284 136 A C -0.710 176.941 177.584 0.112 0.000 1.160 136 A CA -0.171 51.884 52.037 0.029 0.000 0.818 136 A CB 0.182 18.856 19.000 -0.543 0.000 1.087 136 A HN 1.168 nan 8.150 nan 0.000 0.504 137 F N 0.075 119.964 119.950 -0.102 0.000 2.645 137 F HA 0.801 5.328 4.527 -0.000 0.000 0.310 137 F C -0.213 175.574 175.800 -0.022 0.000 1.102 137 F CA -1.096 56.899 58.000 -0.008 0.000 0.952 137 F CB 1.231 40.242 39.000 0.017 0.000 1.326 137 F HN 0.685 nan 8.300 nan 0.000 0.456 138 A N 2.005 124.924 122.820 0.164 0.000 2.305 138 A HA 0.643 4.962 4.320 -0.001 0.000 0.322 138 A C -0.864 176.871 177.584 0.252 0.000 1.187 138 A CA -0.730 51.355 52.037 0.080 0.000 0.825 138 A CB 0.853 19.912 19.000 0.098 0.000 1.164 138 A HN 0.816 nan 8.150 nan 0.000 0.498 139 Q N 1.103 120.984 119.800 0.136 0.000 2.271 139 Q HA 0.396 4.736 4.340 -0.001 0.000 0.258 139 Q C -1.034 175.070 176.000 0.174 0.000 0.936 139 Q CA -0.245 55.681 55.803 0.205 0.000 0.909 139 Q CB 1.867 30.615 28.738 0.017 0.000 1.253 139 Q HN 0.600 nan 8.270 nan 0.000 0.440 140 K N 3.421 123.954 120.400 0.221 0.000 2.575 140 K HA 0.355 4.674 4.320 -0.001 0.000 0.236 140 K C -2.693 173.984 176.600 0.129 0.000 0.976 140 K CA -1.954 54.419 56.287 0.144 0.000 0.985 140 K CB 1.564 34.147 32.500 0.138 0.000 1.198 140 K HN 0.279 nan 8.250 nan 0.000 0.464 141 P HA -0.044 nan 4.420 nan 0.000 0.264 141 P C -0.312 176.979 177.300 -0.015 0.000 1.193 141 P CA 0.307 63.431 63.100 0.039 0.000 0.763 141 P CB 0.368 32.072 31.700 0.007 0.000 0.810 142 N N 2.550 121.225 118.700 -0.041 0.000 2.753 142 N HA -0.286 4.453 4.740 -0.001 0.000 0.251 142 N C 0.434 175.952 175.510 0.013 0.000 1.097 142 N CA 1.287 54.291 53.050 -0.077 0.000 0.786 142 N CB -1.766 36.533 38.487 -0.314 0.000 1.137 142 N HN 0.691 nan 8.380 nan 0.000 0.566 143 A N -2.357 120.493 122.820 0.050 0.000 2.798 143 A HA -0.104 4.215 4.320 -0.001 0.000 0.282 143 A C 0.940 178.574 177.584 0.085 0.000 1.464 143 A CA 2.132 54.213 52.037 0.072 0.000 0.844 143 A CB -1.829 17.205 19.000 0.057 0.000 1.006 143 A HN 1.413 nan 8.150 nan 0.000 0.577 144 A N -1.048 121.821 122.820 0.081 0.000 2.240 144 A HA 0.577 4.897 4.320 -0.001 0.000 0.292 144 A C 1.008 178.644 177.584 0.088 0.000 1.121 144 A CA 0.403 52.502 52.037 0.104 0.000 0.851 144 A CB 0.183 19.249 19.000 0.110 0.000 1.167 144 A HN 0.328 nan 8.150 nan 0.000 0.503 145 D N -0.503 119.946 120.400 0.082 0.000 2.194 145 D HA 0.019 4.659 4.640 -0.001 0.000 0.204 145 D C 0.418 176.715 176.300 -0.005 0.000 0.964 145 D CA 0.849 54.878 54.000 0.049 0.000 0.846 145 D CB -0.164 40.663 40.800 0.045 0.000 0.962 145 D HN 0.607 nan 8.370 nan 0.000 0.490 146 E N 0.340 120.535 120.200 -0.009 0.000 2.558 146 E HA 0.267 4.617 4.350 -0.001 0.000 0.255 146 E C -0.934 175.662 176.600 -0.006 0.000 0.968 146 E CA 0.021 56.401 56.400 -0.032 0.000 0.939 146 E CB 0.336 30.029 29.700 -0.012 0.000 0.921 146 E HN 0.115 nan 8.360 nan 0.000 0.477 147 A N 3.574 126.380 122.820 -0.024 0.000 2.455 147 A HA 0.581 4.900 4.320 -0.001 0.000 0.300 147 A C -1.413 176.160 177.584 -0.020 0.000 1.040 147 A CA -0.772 51.267 52.037 0.002 0.000 0.697 147 A CB 1.584 20.589 19.000 0.009 0.000 1.265 147 A HN 0.355 nan 8.150 nan 0.000 0.407 148 V N 3.331 123.236 119.914 -0.015 0.000 2.417 148 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 148 V C -0.094 175.909 176.094 -0.151 0.000 1.024 148 V CA -0.372 61.882 62.300 -0.076 0.000 0.861 148 V CB 1.271 33.075 31.823 -0.032 0.000 0.985 148 V HN 0.772 nan 8.190 nan 0.000 0.436 149 L N 5.675 126.732 121.223 -0.276 0.000 2.349 149 L HA 0.537 4.876 4.340 -0.001 0.000 0.275 149 L C 0.135 176.609 176.870 -0.661 0.000 1.115 149 L CA -0.190 54.408 54.840 -0.403 0.000 0.820 149 L CB 0.389 42.224 42.059 -0.373 0.000 1.135 149 L HN 0.645 nan 8.230 nan 0.000 0.445 150 H N 1.715 120.292 119.070 -0.823 0.000 2.855 150 H HA 0.631 5.187 4.556 -0.001 0.000 0.363 150 H C -1.069 173.818 175.328 -0.735 0.000 1.185 150 H CA -0.711 54.825 56.048 -0.854 0.000 1.174 150 H CB 2.734 31.693 29.762 -1.339 0.000 1.857 150 H HN 0.215 nan 8.280 nan 0.000 0.565 151 V N 2.351 122.137 119.914 -0.213 0.000 2.638 151 V HA 0.308 4.427 4.120 -0.001 0.000 0.306 151 V C -0.130 176.023 176.094 0.098 0.000 1.052 151 V CA -0.668 61.652 62.300 0.032 0.000 0.885 151 V CB 2.423 34.345 31.823 0.165 0.000 0.999 151 V HN 0.527 nan 8.190 nan 0.000 0.424 152 I N 2.548 123.199 120.570 0.135 0.000 2.493 152 I HA 0.524 4.694 4.170 -0.001 0.000 0.298 152 I C -0.471 175.674 176.117 0.048 0.000 0.998 152 I CA -0.436 60.900 61.300 0.060 0.000 1.137 152 I CB 1.954 39.898 38.000 -0.095 0.000 1.310 152 I HN 0.814 nan 8.210 nan 0.000 0.445 153 D N 5.080 125.521 120.400 0.067 0.000 2.325 153 D HA 0.159 4.798 4.640 -0.001 0.000 0.251 153 D C 0.880 177.157 176.300 -0.039 0.000 1.196 153 D CA -0.287 53.723 54.000 0.018 0.000 0.866 153 D CB 1.441 42.274 40.800 0.055 0.000 1.101 153 D HN 0.332 nan 8.370 nan 0.000 0.476 154 V N 3.779 123.598 119.914 -0.158 0.000 2.343 154 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 154 V C 1.632 177.579 176.094 -0.245 0.000 1.051 154 V CA 1.583 63.673 62.300 -0.351 0.000 1.036 154 V CB -0.422 31.032 31.823 -0.614 0.000 0.654 154 V HN 0.655 nan 8.190 nan 0.000 0.451 155 D N 0.506 120.829 120.400 -0.128 0.000 2.097 155 D HA -0.125 4.515 4.640 -0.001 0.000 0.195 155 D C 2.412 178.784 176.300 0.121 0.000 0.989 155 D CA 2.021 56.051 54.000 0.050 0.000 0.827 155 D CB -0.196 40.635 40.800 0.051 0.000 0.966 155 D HN 0.616 nan 8.370 nan 0.000 0.456 156 S N -1.424 114.327 115.700 0.084 0.000 2.486 156 S HA 0.245 4.714 4.470 -0.001 0.000 0.220 156 S C 1.833 176.507 174.600 0.122 0.000 1.011 156 S CA 0.885 59.146 58.200 0.101 0.000 0.921 156 S CB 0.662 63.913 63.200 0.085 0.000 0.785 156 S HN 0.314 nan 8.310 nan 0.000 0.517 157 G N 1.003 109.880 108.800 0.129 0.000 2.162 157 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.260 157 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.260 157 G C -0.121 174.929 174.900 0.250 0.000 0.976 157 G CA 0.381 45.587 45.100 0.175 0.000 0.655 157 G HN 0.777 nan 8.290 nan 0.000 0.533 158 E N 0.390 120.714 120.200 0.207 0.000 2.299 158 E HA 0.408 4.757 4.350 -0.001 0.000 0.272 158 E C 0.227 177.050 176.600 0.372 0.000 1.043 158 E CA -0.744 55.798 56.400 0.238 0.000 0.895 158 E CB 0.107 29.898 29.700 0.153 0.000 1.011 158 E HN 0.241 nan 8.360 nan 0.000 0.432 159 W N 3.651 124.999 121.300 0.079 0.000 2.266 159 W HA 0.198 4.857 4.660 -0.001 0.000 0.317 159 W C 0.645 177.223 176.519 0.098 0.000 1.310 159 W CA -0.761 56.653 57.345 0.116 0.000 1.207 159 W CB 0.606 30.125 29.460 0.099 0.000 1.199 159 W HN 0.424 nan 8.180 nan 0.000 0.544 160 S N 3.142 119.016 115.700 0.289 0.000 2.549 160 S HA 0.039 4.508 4.470 -0.001 0.000 0.286 160 S C 1.225 175.935 174.600 0.183 0.000 1.314 160 S CA -0.194 58.119 58.200 0.187 0.000 1.062 160 S CB 0.563 63.844 63.200 0.135 0.000 0.865 160 S HN 0.370 nan 8.310 nan 0.000 0.498 161 K N 3.835 124.312 120.400 0.128 0.000 2.314 161 K HA 0.088 4.408 4.320 -0.001 0.000 0.198 161 K C 1.688 178.320 176.600 0.052 0.000 1.045 161 K CA 0.564 56.910 56.287 0.099 0.000 0.988 161 K CB -0.665 31.879 32.500 0.073 0.000 0.783 161 K HN 0.477 nan 8.250 nan 0.000 0.484 162 V N 1.609 121.548 119.914 0.043 0.000 2.825 162 V HA -0.015 4.105 4.120 -0.001 0.000 0.246 162 V C -0.277 175.806 176.094 -0.017 0.000 1.068 162 V CA 0.798 63.107 62.300 0.015 0.000 1.088 162 V CB 0.103 31.944 31.823 0.029 0.000 0.733 162 V HN 0.134 nan 8.190 nan 0.000 0.468 163 D N 1.731 122.130 120.400 -0.002 0.000 2.558 163 D HA 0.245 4.885 4.640 -0.001 0.000 0.221 163 D C -0.669 175.479 176.300 -0.253 0.000 1.143 163 D CA 0.381 54.342 54.000 -0.066 0.000 1.010 163 D CB 0.872 41.726 40.800 0.089 0.000 1.068 163 D HN 0.220 nan 8.370 nan 0.000 0.511 164 V N 2.717 122.428 119.914 -0.337 0.000 2.482 164 V HA 0.375 4.495 4.120 -0.001 0.000 0.295 164 V C 0.051 175.905 176.094 -0.399 0.000 1.026 164 V CA -0.694 61.324 62.300 -0.472 0.000 0.856 164 V CB 2.104 33.701 31.823 -0.377 0.000 1.001 164 V HN 0.208 nan 8.190 nan 0.000 0.424 165 I N 4.013 124.332 120.570 -0.419 0.000 2.420 165 I HA 0.446 4.615 4.170 -0.001 0.000 0.282 165 I C 0.033 176.068 176.117 -0.137 0.000 1.019 165 I CA -0.535 60.604 61.300 -0.268 0.000 1.130 165 I CB 1.831 39.608 38.000 -0.370 0.000 1.262 165 I HN 0.548 nan 8.210 nan 0.000 0.454 166 E N 3.430 123.611 120.200 -0.032 0.000 2.392 166 E HA 0.481 4.830 4.350 -0.001 0.000 0.256 166 E C 1.000 177.674 176.600 0.123 0.000 1.145 166 E CA 0.430 56.840 56.400 0.016 0.000 0.929 166 E CB 0.557 30.272 29.700 0.025 0.000 0.998 166 E HN 0.784 nan 8.360 nan 0.000 0.442 167 G N 0.241 109.056 108.800 0.024 0.000 2.160 167 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.244 167 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.244 167 G C 0.725 175.643 174.900 0.030 0.000 1.022 167 G CA 0.164 45.223 45.100 -0.069 0.000 0.741 167 G HN 0.719 nan 8.290 nan 0.000 0.508 168 G N -0.372 108.446 108.800 0.030 0.000 3.141 168 G HA2 0.232 4.192 3.960 -0.001 0.000 0.218 168 G HA3 0.232 4.192 3.960 -0.001 0.000 0.218 168 G C 1.263 176.165 174.900 0.004 0.000 1.170 168 G CA 1.139 46.272 45.100 0.055 0.000 0.769 168 G HN 0.685 nan 8.290 nan 0.000 0.546 169 K N -0.146 120.187 120.400 -0.113 0.000 2.052 169 K HA -0.219 4.100 4.320 -0.001 0.000 0.215 169 K C 1.144 177.646 176.600 -0.162 0.000 1.053 169 K CA 1.484 57.628 56.287 -0.238 0.000 0.934 169 K CB -0.208 31.962 32.500 -0.550 0.000 0.717 169 K HN 0.380 nan 8.250 nan 0.000 0.450 170 Y N -0.322 120.033 120.300 0.091 0.000 2.457 170 Y HA 0.349 4.899 4.550 -0.001 0.000 0.263 170 Y C 0.420 176.385 175.900 0.108 0.000 1.164 170 Y CA -0.302 57.860 58.100 0.103 0.000 1.274 170 Y CB 0.042 38.577 38.460 0.125 0.000 1.097 170 Y HN 0.057 nan 8.280 nan 0.000 0.523 171 A N 0.760 123.719 122.820 0.232 0.000 2.401 171 A HA 0.520 4.839 4.320 -0.001 0.000 0.259 171 A C 0.333 177.992 177.584 0.124 0.000 1.103 171 A CA -0.031 52.139 52.037 0.223 0.000 0.789 171 A CB -0.158 18.989 19.000 0.245 0.000 1.035 171 A HN 0.285 nan 8.150 nan 0.000 0.491 172 T N 1.462 116.085 114.554 0.115 0.000 2.991 172 T HA 0.563 4.913 4.350 -0.001 0.000 0.347 172 T C -2.997 171.720 174.700 0.029 0.000 1.122 172 T CA -1.887 60.236 62.100 0.038 0.000 1.062 172 T CB 1.003 69.892 68.868 0.036 0.000 1.043 172 T HN 0.337 nan 8.240 nan 0.000 0.491 173 P HA 0.297 nan 4.420 nan 0.000 0.265 173 P C -0.543 176.704 177.300 -0.089 0.000 1.193 173 P CA -0.337 62.604 63.100 -0.266 0.000 0.765 173 P CB 0.382 31.475 31.700 -1.011 0.000 0.823 174 K N 3.350 123.828 120.400 0.130 0.000 2.464 174 K HA 0.285 4.605 4.320 -0.001 0.000 0.252 174 K C -1.093 175.766 176.600 0.432 0.000 1.000 174 K CA -0.191 56.286 56.287 0.318 0.000 0.951 174 K CB 0.182 32.942 32.500 0.434 0.000 1.183 174 K HN 0.396 nan 8.250 nan 0.000 0.445 175 W N 2.492 123.996 121.300 0.339 0.000 2.216 175 W HA 0.071 4.731 4.660 -0.000 0.000 0.326 175 W C 0.881 177.754 176.519 0.589 0.000 1.319 175 W CA -0.230 57.345 57.345 0.384 0.000 1.213 175 W CB 0.504 30.028 29.460 0.107 0.000 1.171 175 W HN 0.467 nan 8.180 nan 0.000 0.557 176 T N 1.167 116.186 114.554 0.775 0.000 2.860 176 T HA 0.108 4.458 4.350 -0.001 0.000 0.299 176 T C -1.628 173.433 174.700 0.602 0.000 1.045 176 T CA -1.365 61.108 62.100 0.623 0.000 1.071 176 T CB 1.040 70.192 68.868 0.473 0.000 0.985 176 T HN 0.209 nan 8.240 nan 0.000 0.537 177 P HA -0.087 nan 4.420 nan 0.000 0.221 177 P C 0.990 178.444 177.300 0.258 0.000 1.145 177 P CA 1.032 64.282 63.100 0.250 0.000 0.795 177 P CB -0.135 31.602 31.700 0.061 0.000 0.775 178 D N -1.500 119.045 120.400 0.242 0.000 2.371 178 D HA -0.050 4.589 4.640 -0.001 0.000 0.221 178 D C 0.444 176.875 176.300 0.218 0.000 0.986 178 D CA 0.406 54.521 54.000 0.192 0.000 0.899 178 D CB -0.887 40.003 40.800 0.151 0.000 0.902 178 D HN -0.072 nan 8.370 nan 0.000 0.530 179 S N -0.875 115.015 115.700 0.318 0.000 3.476 179 S HA -0.163 4.306 4.470 -0.001 0.000 0.309 179 S C 0.913 175.719 174.600 0.342 0.000 1.222 179 S CA 0.813 59.175 58.200 0.271 0.000 0.922 179 S CB -1.014 62.204 63.200 0.029 0.000 1.023 179 S HN 0.400 nan 8.310 nan 0.000 0.591 180 K N 0.413 121.023 120.400 0.349 0.000 2.367 180 K HA 0.388 4.707 4.320 -0.001 0.000 0.194 180 K C 1.134 177.854 176.600 0.200 0.000 1.027 180 K CA 0.895 57.330 56.287 0.246 0.000 1.075 180 K CB 0.832 33.430 32.500 0.164 0.000 0.845 180 K HN 0.632 nan 8.250 nan 0.000 0.529 181 G N 1.005 109.968 108.800 0.272 0.000 2.320 181 G HA2 0.406 4.366 3.960 -0.001 0.000 0.296 181 G HA3 0.406 4.366 3.960 -0.001 0.000 0.296 181 G C -1.918 172.774 174.900 -0.346 0.000 1.306 181 G CA -0.969 43.947 45.100 -0.306 0.000 0.836 181 G HN 0.036 nan 8.290 nan 0.000 0.517 182 F N -1.791 117.590 119.950 -0.947 0.000 2.619 182 F HA 0.778 5.304 4.527 -0.001 0.000 0.308 182 F C -1.311 174.214 175.800 -0.458 0.000 1.097 182 F CA -2.095 55.544 58.000 -0.603 0.000 0.953 182 F CB 0.796 39.254 39.000 -0.904 0.000 1.287 182 F HN 0.528 nan 8.300 nan 0.000 0.446 183 Y N 2.330 122.834 120.300 0.340 0.000 2.336 183 Y HA 0.467 5.017 4.550 -0.001 0.000 0.331 183 Y C -0.145 176.035 175.900 0.468 0.000 1.211 183 Y CA 0.091 58.426 58.100 0.391 0.000 1.346 183 Y CB 0.713 39.393 38.460 0.367 0.000 1.271 183 Y HN 0.691 nan 8.280 nan 0.000 0.538 184 Y N -1.905 118.622 120.300 0.378 0.000 2.624 184 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 184 Y C -1.656 174.416 175.900 0.286 0.000 1.155 184 Y CA -2.127 56.150 58.100 0.295 0.000 1.046 184 Y CB 0.800 39.434 38.460 0.289 0.000 1.316 184 Y HN 0.374 nan 8.280 nan 0.000 0.457 185 E N 1.856 122.202 120.200 0.243 0.000 2.152 185 E HA 0.260 4.609 4.350 -0.001 0.000 0.285 185 E C -1.667 175.135 176.600 0.337 0.000 1.043 185 E CA 0.000 56.528 56.400 0.212 0.000 0.839 185 E CB 0.571 30.425 29.700 0.257 0.000 1.069 185 E HN 0.621 nan 8.360 nan 0.000 0.399 186 W N 4.894 126.215 121.300 0.034 0.000 2.551 186 W HA 0.560 5.219 4.660 -0.001 0.000 0.330 186 W C -1.679 174.932 176.519 0.153 0.000 1.063 186 W CA -1.259 56.166 57.345 0.134 0.000 1.222 186 W CB 0.830 30.303 29.460 0.023 0.000 1.349 186 W HN 0.404 nan 8.180 nan 0.000 0.536 187 L N 9.050 129.883 121.223 -0.650 0.000 2.406 187 L HA 0.570 4.910 4.340 -0.001 0.000 0.272 187 L C -2.289 173.937 176.870 -1.073 0.000 0.980 187 L CA -2.359 52.105 54.840 -0.626 0.000 0.831 187 L CB 1.592 43.495 42.059 -0.259 0.000 1.253 187 L HN 0.254 nan 8.230 nan 0.000 0.406 188 P HA 0.171 nan 4.420 nan 0.000 0.267 188 P C 0.204 177.259 177.300 -0.410 0.000 1.200 188 P CA 0.016 62.630 63.100 -0.811 0.000 0.772 188 P CB 0.433 31.814 31.700 -0.531 0.000 0.855 189 T N -2.763 111.659 114.554 -0.220 0.000 3.069 189 T HA 0.049 4.399 4.350 -0.001 0.000 0.252 189 T C 0.534 175.172 174.700 -0.103 0.000 1.053 189 T CA -0.195 61.825 62.100 -0.134 0.000 0.964 189 T CB -0.421 68.411 68.868 -0.061 0.000 1.005 189 T HN 0.282 nan 8.240 nan 0.000 0.532 190 D N 3.759 124.092 120.400 -0.112 0.000 2.531 190 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 190 D C -1.101 175.131 176.300 -0.113 0.000 1.144 190 D CA -0.830 53.116 54.000 -0.090 0.000 0.869 190 D CB 1.558 42.300 40.800 -0.097 0.000 1.160 190 D HN 0.159 nan 8.370 nan 0.000 0.484 191 P HA -0.069 nan 4.420 nan 0.000 0.236 191 P C 1.125 178.379 177.300 -0.077 0.000 1.177 191 P CA 0.325 63.383 63.100 -0.070 0.000 0.773 191 P CB 0.142 31.818 31.700 -0.041 0.000 0.878 192 S N -0.584 115.066 115.700 -0.083 0.000 2.515 192 S HA 0.003 4.473 4.470 -0.001 0.000 0.231 192 S C 0.929 175.461 174.600 -0.112 0.000 0.987 192 S CA -0.084 58.069 58.200 -0.077 0.000 0.936 192 S CB -1.091 62.076 63.200 -0.055 0.000 0.766 192 S HN 0.056 nan 8.310 nan 0.000 0.528 193 I N 2.399 122.858 120.570 -0.185 0.000 2.352 193 I HA 0.220 4.389 4.170 -0.001 0.000 0.290 193 I C 0.187 176.209 176.117 -0.158 0.000 1.036 193 I CA -0.586 60.562 61.300 -0.254 0.000 1.336 193 I CB 0.962 38.641 38.000 -0.535 0.000 1.407 193 I HN 0.020 nan 8.210 nan 0.000 0.497 194 K N 4.301 124.640 120.400 -0.102 0.000 2.382 194 K HA 0.023 4.343 4.320 -0.001 0.000 0.275 194 K C 1.026 177.578 176.600 -0.080 0.000 1.009 194 K CA -0.194 56.045 56.287 -0.081 0.000 0.970 194 K CB 1.335 33.795 32.500 -0.066 0.000 0.934 194 K HN 0.482 nan 8.250 nan 0.000 0.479 195 V N 3.297 123.164 119.914 -0.078 0.000 2.332 195 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 195 V C 1.777 177.836 176.094 -0.057 0.000 1.055 195 V CA 2.567 64.831 62.300 -0.061 0.000 1.038 195 V CB -0.401 31.400 31.823 -0.037 0.000 0.651 195 V HN 1.003 nan 8.190 nan 0.000 0.450 196 D N -1.182 119.169 120.400 -0.082 0.000 2.264 196 D HA -0.218 4.422 4.640 -0.001 0.000 0.208 196 D C 1.705 177.975 176.300 -0.049 0.000 0.966 196 D CA 1.446 55.396 54.000 -0.084 0.000 0.864 196 D CB -0.265 40.456 40.800 -0.131 0.000 0.933 196 D HN 0.684 nan 8.370 nan 0.000 0.499 197 E N 0.124 120.316 120.200 -0.013 0.000 2.385 197 E HA 0.026 4.375 4.350 -0.001 0.000 0.194 197 E C 2.168 178.862 176.600 0.157 0.000 1.013 197 E CA -0.287 56.150 56.400 0.062 0.000 0.866 197 E CB 0.158 29.925 29.700 0.111 0.000 0.832 197 E HN 0.170 nan 8.360 nan 0.000 0.500 198 R N 1.194 121.739 120.500 0.075 0.000 2.117 198 R HA -0.118 4.221 4.340 -0.001 0.000 0.243 198 R C -0.772 175.628 176.300 0.167 0.000 1.143 198 R CA 1.387 57.535 56.100 0.081 0.000 0.968 198 R CB -0.673 29.600 30.300 -0.046 0.000 0.863 198 R HN 0.082 nan 8.270 nan 0.000 0.444 199 P HA -0.050 nan 4.420 nan 0.000 0.222 199 P C 0.631 177.909 177.300 -0.037 0.000 1.147 199 P CA 1.490 64.609 63.100 0.031 0.000 0.790 199 P CB -0.153 31.464 31.700 -0.139 0.000 0.780 200 G N -2.484 106.306 108.800 -0.016 0.000 2.956 200 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.207 200 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.207 200 G C 0.439 175.221 174.900 -0.196 0.000 1.162 200 G CA 0.133 45.158 45.100 -0.125 0.000 0.796 200 G HN 0.264 nan 8.290 nan 0.000 0.527 201 Y N 0.422 120.692 120.300 -0.051 0.000 2.467 201 Y HA 0.207 4.757 4.550 -0.001 0.000 0.250 201 Y C 1.352 177.233 175.900 -0.032 0.000 1.155 201 Y CA -0.502 57.570 58.100 -0.047 0.000 1.249 201 Y CB 0.203 38.608 38.460 -0.091 0.000 1.146 201 Y HN -0.064 nan 8.280 nan 0.000 0.524 202 T N 1.425 116.042 114.554 0.106 0.000 2.908 202 T HA 0.143 4.492 4.350 -0.001 0.000 0.301 202 T C 0.266 175.040 174.700 0.125 0.000 1.019 202 T CA 0.628 62.798 62.100 0.118 0.000 1.152 202 T CB 0.454 69.382 68.868 0.100 0.000 0.966 202 T HN 0.043 nan 8.240 nan 0.000 0.540 203 T N 3.880 118.553 114.554 0.199 0.000 2.893 203 T HA 0.474 4.823 4.350 -0.001 0.000 0.293 203 T C -0.220 174.578 174.700 0.162 0.000 1.027 203 T CA -0.792 61.439 62.100 0.218 0.000 0.988 203 T CB 1.056 70.140 68.868 0.360 0.000 1.043 203 T HN 0.297 nan 8.240 nan 0.000 0.461 204 I N 3.216 123.862 120.570 0.127 0.000 2.371 204 I HA 0.440 4.609 4.170 -0.001 0.000 0.290 204 I C 0.700 176.847 176.117 0.049 0.000 1.028 204 I CA -0.285 61.066 61.300 0.087 0.000 1.345 204 I CB 0.543 38.630 38.000 0.145 0.000 1.407 204 I HN 0.492 nan 8.210 nan 0.000 0.501 205 R N 4.473 124.872 120.500 -0.168 0.000 2.912 205 R HA 0.510 4.850 4.340 -0.001 0.000 0.262 205 R C -1.498 174.767 176.300 -0.060 0.000 1.057 205 R CA -0.919 55.066 56.100 -0.192 0.000 0.981 205 R CB 2.336 32.371 30.300 -0.442 0.000 1.201 205 R HN 0.430 nan 8.270 nan 0.000 0.484 206 Y N 0.622 120.861 120.300 -0.101 0.000 2.350 206 Y HA 0.279 4.829 4.550 -0.001 0.000 0.338 206 Y C -0.955 174.886 175.900 -0.100 0.000 0.961 206 Y CA -0.825 57.166 58.100 -0.181 0.000 1.100 206 Y CB 1.082 39.309 38.460 -0.390 0.000 1.179 206 Y HN 0.560 nan 8.280 nan 0.000 0.454 207 H N 3.518 122.075 119.070 -0.855 0.000 2.504 207 H HA 0.427 4.982 4.556 -0.001 0.000 0.322 207 H C -0.836 173.850 175.328 -1.070 0.000 1.055 207 H CA -0.424 55.109 56.048 -0.859 0.000 1.231 207 H CB 1.027 30.103 29.762 -1.144 0.000 1.417 207 H HN 0.659 nan 8.280 nan 0.000 0.472 208 T N 6.990 120.932 114.554 -1.020 0.000 2.749 208 T HA 0.206 4.556 4.350 -0.001 0.000 0.295 208 T C 0.548 174.706 174.700 -0.902 0.000 0.936 208 T CA -0.661 61.025 62.100 -0.691 0.000 1.060 208 T CB 0.143 68.857 68.868 -0.256 0.000 0.904 208 T HN 0.461 nan 8.240 nan 0.000 0.500 209 L N 2.902 123.806 121.223 -0.533 0.000 2.525 209 L HA 0.242 4.581 4.340 -0.001 0.000 0.278 209 L C 1.642 178.415 176.870 -0.162 0.000 1.218 209 L CA 0.631 55.317 54.840 -0.258 0.000 0.878 209 L CB -0.037 42.035 42.059 0.021 0.000 1.127 209 L HN 1.068 nan 8.230 nan 0.000 0.492 210 G N 1.481 110.241 108.800 -0.067 0.000 2.195 210 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.246 210 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.246 210 G C 0.286 175.162 174.900 -0.039 0.000 0.984 210 G CA 0.214 45.299 45.100 -0.026 0.000 0.633 210 G HN 0.768 nan 8.290 nan 0.000 0.525 211 T N -1.124 113.374 114.554 -0.093 0.000 2.943 211 T HA 0.664 5.014 4.350 -0.001 0.000 0.284 211 T C -0.167 174.558 174.700 0.041 0.000 1.015 211 T CA -0.648 61.419 62.100 -0.055 0.000 1.042 211 T CB 2.310 71.106 68.868 -0.119 0.000 1.055 211 T HN 0.086 nan 8.240 nan 0.000 0.500 212 E N 2.283 122.491 120.200 0.013 0.000 2.366 212 E HA 0.145 4.495 4.350 -0.001 0.000 0.266 212 E C -1.634 174.973 176.600 0.012 0.000 1.015 212 E CA -2.066 54.339 56.400 0.008 0.000 0.906 212 E CB 1.219 30.909 29.700 -0.016 0.000 0.979 212 E HN 0.470 nan 8.360 nan 0.000 0.443 213 P HA -0.144 nan 4.420 nan 0.000 0.222 213 P C 1.331 178.553 177.300 -0.130 0.000 1.147 213 P CA 1.052 64.087 63.100 -0.107 0.000 0.790 213 P CB 0.222 31.757 31.700 -0.275 0.000 0.780 214 S N 0.031 115.668 115.700 -0.105 0.000 2.419 214 S HA -0.156 4.313 4.470 -0.001 0.000 0.235 214 S C 1.617 176.142 174.600 -0.124 0.000 1.019 214 S CA 1.077 59.206 58.200 -0.119 0.000 0.982 214 S CB -0.929 62.232 63.200 -0.065 0.000 0.789 214 S HN 0.214 nan 8.310 nan 0.000 0.490 215 K N 1.105 121.454 120.400 -0.084 0.000 2.444 215 K HA 0.152 4.471 4.320 -0.001 0.000 0.193 215 K C -0.622 175.936 176.600 -0.071 0.000 1.024 215 K CA -0.022 56.223 56.287 -0.071 0.000 1.077 215 K CB -0.107 32.364 32.500 -0.048 0.000 0.833 215 K HN 0.372 nan 8.250 nan 0.000 0.517 216 D N 2.810 123.160 120.400 -0.082 0.000 2.493 216 D HA -0.055 4.585 4.640 -0.001 0.000 0.240 216 D C 0.347 176.601 176.300 -0.077 0.000 1.142 216 D CA 0.631 54.599 54.000 -0.054 0.000 0.872 216 D CB 0.821 41.599 40.800 -0.038 0.000 1.173 216 D HN 0.172 nan 8.370 nan 0.000 0.467 217 T N -1.419 113.122 114.554 -0.021 0.000 2.918 217 T HA 0.278 4.628 4.350 -0.001 0.000 0.302 217 T C 0.331 175.026 174.700 -0.008 0.000 1.045 217 T CA -0.979 61.112 62.100 -0.015 0.000 1.114 217 T CB 0.811 69.684 68.868 0.008 0.000 0.965 217 T HN 0.022 nan 8.240 nan 0.000 0.540 218 V N 4.476 124.386 119.914 -0.007 0.000 2.408 218 V HA 0.109 4.228 4.120 -0.001 0.000 0.267 218 V C 1.192 177.333 176.094 0.078 0.000 1.047 218 V CA -0.299 62.017 62.300 0.026 0.000 0.937 218 V CB 0.811 32.647 31.823 0.021 0.000 0.999 218 V HN 0.951 nan 8.190 nan 0.000 0.472 219 V N 3.753 123.757 119.914 0.150 0.000 2.575 219 V HA 0.103 4.223 4.120 -0.001 0.000 0.242 219 V C 0.661 176.947 176.094 0.320 0.000 1.045 219 V CA 0.950 63.401 62.300 0.252 0.000 1.065 219 V CB -0.153 31.904 31.823 0.390 0.000 0.717 219 V HN 0.872 nan 8.190 nan 0.000 0.467 220 H N 0.847 119.998 119.070 0.136 0.000 2.782 220 H HA 0.358 4.913 4.556 -0.001 0.000 0.347 220 H C -0.642 174.683 175.328 -0.005 0.000 1.038 220 H CA -0.611 55.452 56.048 0.024 0.000 1.255 220 H CB 1.691 31.351 29.762 -0.170 0.000 1.623 220 H HN 0.242 nan 8.280 nan 0.000 0.525 221 E N 2.808 122.969 120.200 -0.066 0.000 2.409 221 E HA 0.038 4.388 4.350 -0.001 0.000 0.257 221 E C 0.670 177.347 176.600 0.128 0.000 1.150 221 E CA -0.508 55.905 56.400 0.022 0.000 0.942 221 E CB 1.226 30.881 29.700 -0.074 0.000 0.979 221 E HN 0.597 nan 8.360 nan 0.000 0.447 222 R N -0.379 120.162 120.500 0.068 0.000 2.784 222 R HA 0.059 4.399 4.340 -0.001 0.000 0.266 222 R C 0.932 177.216 176.300 -0.026 0.000 1.044 222 R CA 0.485 56.596 56.100 0.019 0.000 1.151 222 R CB -0.135 30.137 30.300 -0.046 0.000 1.037 222 R HN 0.551 nan 8.270 nan 0.000 0.478 223 T N -2.078 112.442 114.554 -0.057 0.000 3.014 223 T HA 0.110 4.460 4.350 -0.001 0.000 0.263 223 T C 1.503 176.130 174.700 -0.121 0.000 1.078 223 T CA 0.424 62.481 62.100 -0.071 0.000 1.135 223 T CB -0.325 68.500 68.868 -0.072 0.000 0.895 223 T HN 0.988 nan 8.240 nan 0.000 0.480 224 G N 1.428 110.108 108.800 -0.199 0.000 2.168 224 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.257 224 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.257 224 G C -0.247 174.540 174.900 -0.188 0.000 0.997 224 G CA 0.283 45.223 45.100 -0.266 0.000 0.708 224 G HN 0.767 nan 8.290 nan 0.000 0.520 225 D N -0.272 120.037 120.400 -0.152 0.000 2.469 225 D HA 0.452 5.092 4.640 -0.001 0.000 0.251 225 D C -1.179 175.040 176.300 -0.134 0.000 1.173 225 D CA -2.033 51.898 54.000 -0.115 0.000 0.882 225 D CB 1.767 42.517 40.800 -0.084 0.000 1.129 225 D HN 0.078 nan 8.370 nan 0.000 0.549 226 P HA -0.005 nan 4.420 nan 0.000 0.245 226 P C 0.850 178.034 177.300 -0.193 0.000 1.212 226 P CA 0.462 63.473 63.100 -0.148 0.000 0.774 226 P CB -0.110 31.535 31.700 -0.091 0.000 0.999 227 T N -3.516 110.951 114.554 -0.144 0.000 3.144 227 T HA 0.109 4.458 4.350 -0.001 0.000 0.249 227 T C 0.715 175.318 174.700 -0.162 0.000 1.089 227 T CA -0.048 61.983 62.100 -0.115 0.000 0.989 227 T CB -0.898 67.959 68.868 -0.019 0.000 0.992 227 T HN 0.178 nan 8.240 nan 0.000 0.540 228 T N -0.709 113.691 114.554 -0.255 0.000 2.942 228 T HA 0.749 5.099 4.350 -0.001 0.000 0.289 228 T C -0.930 173.461 174.700 -0.515 0.000 1.044 228 T CA -0.956 60.994 62.100 -0.250 0.000 1.023 228 T CB 1.375 70.169 68.868 -0.123 0.000 1.123 228 T HN 0.101 nan 8.240 nan 0.000 0.512 229 F N 0.233 120.063 119.950 -0.200 0.000 2.522 229 F HA 0.719 5.246 4.527 -0.001 0.000 0.324 229 F C -0.419 175.264 175.800 -0.194 0.000 1.077 229 F CA -1.324 56.513 58.000 -0.271 0.000 0.944 229 F CB 1.881 40.673 39.000 -0.346 0.000 1.175 229 F HN 0.469 nan 8.300 nan 0.000 0.468 230 L N 2.772 123.993 121.223 -0.002 0.000 2.325 230 L HA 0.534 4.873 4.340 -0.001 0.000 0.281 230 L C -0.881 175.994 176.870 0.009 0.000 1.004 230 L CA -0.135 54.686 54.840 -0.031 0.000 0.823 230 L CB 1.422 43.438 42.059 -0.072 0.000 1.236 230 L HN 0.733 nan 8.230 nan 0.000 0.415 231 Q N 2.626 122.453 119.800 0.045 0.000 2.389 231 Q HA 0.754 5.093 4.340 -0.001 0.000 0.277 231 Q C -1.483 174.625 176.000 0.179 0.000 1.082 231 Q CA -0.642 55.222 55.803 0.101 0.000 0.810 231 Q CB 2.162 30.933 28.738 0.055 0.000 1.374 231 Q HN 0.773 nan 8.270 nan 0.000 0.422 232 S N 1.637 117.449 115.700 0.187 0.000 2.648 232 S HA 0.784 5.253 4.470 -0.001 0.000 0.305 232 S C -1.066 173.699 174.600 0.276 0.000 1.094 232 S CA -0.625 57.696 58.200 0.202 0.000 0.983 232 S CB 2.130 65.416 63.200 0.143 0.000 1.101 232 S HN 0.660 nan 8.310 nan 0.000 0.514 233 D N -0.666 119.915 120.400 0.302 0.000 2.609 233 D HA 0.664 5.304 4.640 -0.001 0.000 0.239 233 D C -2.007 174.503 176.300 0.350 0.000 1.229 233 D CA -0.460 53.749 54.000 0.348 0.000 0.808 233 D CB 2.019 43.066 40.800 0.413 0.000 1.448 233 D HN 0.559 nan 8.370 nan 0.000 0.433 234 L N 1.535 122.981 121.223 0.372 0.000 2.464 234 L HA 0.535 4.875 4.340 -0.001 0.000 0.266 234 L C -0.384 176.728 176.870 0.403 0.000 0.965 234 L CA -0.410 54.634 54.840 0.339 0.000 0.833 234 L CB 1.782 44.046 42.059 0.342 0.000 1.296 234 L HN 0.485 nan 8.230 nan 0.000 0.405 235 S N 3.564 119.499 115.700 0.391 0.000 2.573 235 S HA 0.161 4.631 4.470 -0.001 0.000 0.277 235 S C 1.176 175.938 174.600 0.269 0.000 1.346 235 S CA 0.287 58.720 58.200 0.389 0.000 1.034 235 S CB 0.700 64.181 63.200 0.469 0.000 0.879 235 S HN 0.868 nan 8.310 nan 0.000 0.528 236 R N 1.094 121.705 120.500 0.185 0.000 2.096 236 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 236 R C 1.220 177.364 176.300 -0.260 0.000 1.127 236 R CA 2.019 58.010 56.100 -0.182 0.000 0.968 236 R CB -0.580 29.550 30.300 -0.284 0.000 0.861 236 R HN 0.924 nan 8.270 nan 0.000 0.440 237 D N -1.446 118.935 120.400 -0.032 0.000 2.363 237 D HA 0.043 4.682 4.640 -0.001 0.000 0.226 237 D C 1.140 177.434 176.300 -0.010 0.000 1.020 237 D CA 0.863 54.835 54.000 -0.047 0.000 0.892 237 D CB 0.070 40.853 40.800 -0.029 0.000 0.900 237 D HN 0.410 nan 8.370 nan 0.000 0.531 238 G N 0.645 109.478 108.800 0.055 0.000 2.184 238 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.264 238 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.264 238 G C 1.119 176.013 174.900 -0.011 0.000 0.975 238 G CA 0.542 45.696 45.100 0.090 0.000 0.642 238 G HN 0.467 nan 8.290 nan 0.000 0.536 239 K N -1.063 119.265 120.400 -0.120 0.000 2.296 239 K HA 0.147 4.466 4.320 -0.001 0.000 0.200 239 K C -0.133 176.045 176.600 -0.703 0.000 1.048 239 K CA 0.811 56.832 56.287 -0.443 0.000 0.966 239 K CB 0.146 32.275 32.500 -0.620 0.000 0.754 239 K HN 0.511 nan 8.250 nan 0.000 0.466 240 Y N 0.374 120.700 120.300 0.044 0.000 2.327 240 Y HA 0.295 4.844 4.550 -0.001 0.000 0.325 240 Y C -0.798 174.933 175.900 -0.283 0.000 0.999 240 Y CA -1.327 56.712 58.100 -0.102 0.000 1.195 240 Y CB 1.268 39.646 38.460 -0.136 0.000 1.132 240 Y HN -0.181 nan 8.280 nan 0.000 0.455 241 L N 4.676 125.777 121.223 -0.204 0.000 2.272 241 L HA 0.686 5.026 4.340 -0.001 0.000 0.289 241 L C -1.690 175.025 176.870 -0.258 0.000 1.032 241 L CA -0.452 54.265 54.840 -0.205 0.000 0.810 241 L CB 0.138 42.059 42.059 -0.229 0.000 1.205 241 L HN 0.365 nan 8.230 nan 0.000 0.422 242 F N 4.380 124.376 119.950 0.077 0.000 2.450 242 F HA 0.669 5.195 4.527 -0.001 0.000 0.332 242 F C -0.078 175.648 175.800 -0.123 0.000 1.093 242 F CA -0.701 57.267 58.000 -0.054 0.000 1.003 242 F CB 1.975 40.793 39.000 -0.303 0.000 1.151 242 F HN 0.101 nan 8.300 nan 0.000 0.474 243 V N 3.428 123.316 119.914 -0.043 0.000 2.531 243 V HA 0.356 4.476 4.120 -0.001 0.000 0.301 243 V C -1.158 174.809 176.094 -0.211 0.000 1.034 243 V CA -1.082 61.099 62.300 -0.199 0.000 0.865 243 V CB 1.426 32.928 31.823 -0.536 0.000 0.995 243 V HN 0.514 nan 8.190 nan 0.000 0.424 244 Y N 4.478 124.769 120.300 -0.015 0.000 2.330 244 Y HA 0.602 5.151 4.550 -0.001 0.000 0.336 244 Y C 0.301 176.178 175.900 -0.040 0.000 1.036 244 Y CA -0.691 57.412 58.100 0.005 0.000 1.125 244 Y CB 1.553 40.003 38.460 -0.018 0.000 1.194 244 Y HN 0.449 nan 8.280 nan 0.000 0.469 245 I N 5.504 126.170 120.570 0.160 0.000 2.306 245 I HA 0.233 4.403 4.170 -0.001 0.000 0.288 245 I C -0.892 175.288 176.117 0.105 0.000 1.036 245 I CA -0.319 61.034 61.300 0.088 0.000 1.221 245 I CB 0.500 38.550 38.000 0.084 0.000 1.385 245 I HN 0.386 nan 8.210 nan 0.000 0.472 246 L N 7.173 128.439 121.223 0.072 0.000 2.257 246 L HA 0.455 4.794 4.340 -0.001 0.000 0.290 246 L C 0.371 177.272 176.870 0.052 0.000 1.044 246 L CA -0.476 54.387 54.840 0.039 0.000 0.810 246 L CB 0.533 42.566 42.059 -0.043 0.000 1.193 246 L HN 0.491 nan 8.230 nan 0.000 0.425 247 R N 3.181 123.715 120.500 0.056 0.000 2.522 247 R HA 0.401 4.740 4.340 -0.001 0.000 0.290 247 R C 0.812 177.183 176.300 0.119 0.000 1.216 247 R CA 0.214 56.359 56.100 0.075 0.000 1.250 247 R CB 0.920 31.267 30.300 0.078 0.000 1.143 247 R HN 0.954 nan 8.270 nan 0.000 0.553 248 G N 2.183 111.070 108.800 0.145 0.000 2.583 248 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.292 248 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.292 248 G C 0.194 175.111 174.900 0.027 0.000 1.203 248 G CA 0.133 45.415 45.100 0.303 0.000 0.987 248 G HN 0.705 nan 8.290 nan 0.000 0.554 249 W N 1.313 122.754 121.300 0.235 0.000 2.818 249 W HA 0.408 5.067 4.660 -0.001 0.000 0.403 249 W C 1.833 178.482 176.519 0.217 0.000 0.991 249 W CA 0.623 58.081 57.345 0.188 0.000 1.925 249 W CB 0.148 29.711 29.460 0.171 0.000 1.166 249 W HN 0.750 nan 8.180 nan 0.000 0.605 250 S N -0.563 115.333 115.700 0.328 0.000 2.589 250 S HA 0.090 4.560 4.470 -0.001 0.000 0.235 250 S C 0.184 174.866 174.600 0.136 0.000 1.051 250 S CA -0.060 58.281 58.200 0.235 0.000 0.978 250 S CB 0.583 63.869 63.200 0.143 0.000 0.929 250 S HN 0.277 nan 8.310 nan 0.000 0.523 251 E N 1.220 121.493 120.200 0.122 0.000 2.407 251 E HA 0.559 4.908 4.350 -0.001 0.000 0.279 251 E C -1.756 174.915 176.600 0.119 0.000 1.012 251 E CA -1.134 55.336 56.400 0.116 0.000 0.800 251 E CB 1.203 30.971 29.700 0.113 0.000 1.276 251 E HN 0.286 nan 8.360 nan 0.000 0.452 252 N N 1.204 120.008 118.700 0.173 0.000 2.710 252 N HA 0.248 4.987 4.740 -0.001 0.000 0.257 252 N C -1.613 174.020 175.510 0.206 0.000 1.327 252 N CA -0.631 52.524 53.050 0.176 0.000 0.861 252 N CB 1.946 40.529 38.487 0.160 0.000 1.532 252 N HN 0.428 nan 8.380 nan 0.000 0.499 253 D N 0.192 120.686 120.400 0.156 0.000 2.268 253 D HA 0.542 5.181 4.640 -0.001 0.000 0.249 253 D C -0.378 175.958 176.300 0.060 0.000 1.008 253 D CA -0.290 53.746 54.000 0.060 0.000 0.939 253 D CB 2.377 43.223 40.800 0.075 0.000 1.170 253 D HN 0.283 nan 8.370 nan 0.000 0.468 254 V N 1.671 121.510 119.914 -0.126 0.000 2.531 254 V HA 0.324 4.444 4.120 -0.001 0.000 0.301 254 V C -1.079 174.890 176.094 -0.210 0.000 1.034 254 V CA -0.778 61.441 62.300 -0.136 0.000 0.865 254 V CB 0.922 32.668 31.823 -0.128 0.000 0.995 254 V HN 0.404 nan 8.190 nan 0.000 0.424 255 Y N 3.864 124.178 120.300 0.024 0.000 2.549 255 Y HA 0.815 5.365 4.550 -0.001 0.000 0.339 255 Y C -0.076 176.044 175.900 0.366 0.000 1.053 255 Y CA -0.546 57.650 58.100 0.160 0.000 1.105 255 Y CB 2.088 40.526 38.460 -0.036 0.000 1.258 255 Y HN 0.774 nan 8.280 nan 0.000 0.478 256 W N 1.459 122.984 121.300 0.376 0.000 3.074 256 W HA 0.695 5.354 4.660 -0.001 0.000 0.332 256 W C -2.151 174.460 176.519 0.153 0.000 1.253 256 W CA -1.327 56.120 57.345 0.170 0.000 1.180 256 W CB 1.647 31.025 29.460 -0.137 0.000 1.445 256 W HN 0.640 nan 8.180 nan 0.000 0.573 257 K N 0.945 121.364 120.400 0.032 0.000 2.579 257 K HA 0.676 4.996 4.320 -0.001 0.000 0.284 257 K C -1.108 175.442 176.600 -0.084 0.000 0.990 257 K CA -1.058 55.050 56.287 -0.298 0.000 0.880 257 K CB 2.326 34.432 32.500 -0.657 0.000 1.488 257 K HN 0.565 nan 8.250 nan 0.000 0.425 258 R N 0.572 120.983 120.500 -0.147 0.000 2.532 258 R HA 0.371 4.710 4.340 -0.001 0.000 0.272 258 R C -2.435 173.768 176.300 -0.163 0.000 1.032 258 R CA -2.047 53.977 56.100 -0.127 0.000 1.089 258 R CB 0.546 30.785 30.300 -0.102 0.000 1.098 258 R HN 0.434 nan 8.270 nan 0.000 0.526 259 P HA -0.064 nan 4.420 nan 0.000 0.264 259 P C 0.587 177.818 177.300 -0.115 0.000 1.183 259 P CA 1.038 64.076 63.100 -0.103 0.000 0.763 259 P CB 0.496 32.150 31.700 -0.077 0.000 0.807 260 G N 1.598 110.328 108.800 -0.115 0.000 2.245 260 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.264 260 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.264 260 G C 0.091 174.910 174.900 -0.135 0.000 0.985 260 G CA -0.084 44.948 45.100 -0.114 0.000 0.625 260 G HN 0.580 nan 8.290 nan 0.000 0.536 261 E N 0.449 120.544 120.200 -0.174 0.000 2.360 261 E HA 0.385 4.735 4.350 -0.001 0.000 0.269 261 E C 1.212 177.671 176.600 -0.234 0.000 1.022 261 E CA -0.022 56.254 56.400 -0.207 0.000 0.887 261 E CB 0.739 30.282 29.700 -0.262 0.000 0.990 261 E HN 0.415 nan 8.360 nan 0.000 0.426 262 K N 1.527 121.812 120.400 -0.192 0.000 1.991 262 K HA -0.043 4.276 4.320 -0.001 0.000 0.207 262 K C 0.181 176.651 176.600 -0.217 0.000 1.045 262 K CA 0.860 57.045 56.287 -0.170 0.000 0.937 262 K CB 0.176 32.606 32.500 -0.116 0.000 0.720 262 K HN 0.448 nan 8.250 nan 0.000 0.438 263 D N -0.538 119.740 120.400 -0.204 0.000 2.340 263 D HA 0.186 4.826 4.640 -0.001 0.000 0.251 263 D C -0.408 175.723 176.300 -0.283 0.000 1.080 263 D CA -0.249 53.656 54.000 -0.159 0.000 0.971 263 D CB 0.626 41.374 40.800 -0.088 0.000 1.137 263 D HN -0.156 nan 8.370 nan 0.000 0.475 264 F N 0.212 120.102 119.950 -0.100 0.000 2.397 264 F HA 0.347 4.873 4.527 -0.001 0.000 0.331 264 F C 1.208 176.966 175.800 -0.071 0.000 1.090 264 F CA -0.614 57.342 58.000 -0.074 0.000 1.065 264 F CB 1.024 40.050 39.000 0.042 0.000 1.184 264 F HN -0.151 nan 8.300 nan 0.000 0.499 265 R N 1.986 122.444 120.500 -0.070 0.000 2.459 265 R HA 0.478 4.818 4.340 -0.001 0.000 0.281 265 R C -1.199 175.149 176.300 0.081 0.000 1.050 265 R CA -0.994 55.001 56.100 -0.175 0.000 1.055 265 R CB 0.867 30.725 30.300 -0.736 0.000 1.045 265 R HN 0.421 nan 8.270 nan 0.000 0.495 266 L N 4.018 125.282 121.223 0.067 0.000 2.261 266 L HA 0.130 4.470 4.340 -0.001 0.000 0.289 266 L C 0.409 177.314 176.870 0.058 0.000 1.059 266 L CA 0.005 54.770 54.840 -0.123 0.000 0.816 266 L CB 0.906 42.868 42.059 -0.161 0.000 1.191 266 L HN 0.716 nan 8.230 nan 0.000 0.431 267 L N 5.799 127.125 121.223 0.171 0.000 2.005 267 L HA 0.215 4.554 4.340 -0.001 0.000 0.207 267 L C 0.283 177.209 176.870 0.094 0.000 1.072 267 L CA 1.563 56.574 54.840 0.285 0.000 0.744 267 L CB 0.263 42.486 42.059 0.274 0.000 0.895 267 L HN 0.467 nan 8.230 nan 0.000 0.433 268 V N -0.591 119.245 119.914 -0.130 0.000 3.023 268 V HA 0.317 4.437 4.120 -0.001 0.000 0.294 268 V C -1.324 174.590 176.094 -0.301 0.000 1.324 268 V CA -0.959 61.187 62.300 -0.257 0.000 0.979 268 V CB 1.971 33.511 31.823 -0.472 0.000 1.093 268 V HN 0.161 nan 8.190 nan 0.000 0.434 269 K N 3.927 124.200 120.400 -0.211 0.000 2.316 269 K HA 0.628 4.948 4.320 -0.001 0.000 0.267 269 K C 0.226 176.810 176.600 -0.026 0.000 1.025 269 K CA -0.062 56.161 56.287 -0.107 0.000 0.896 269 K CB 1.565 34.031 32.500 -0.056 0.000 1.124 269 K HN 0.963 nan 8.250 nan 0.000 0.451 270 G N 1.599 110.449 108.800 0.083 0.000 2.403 270 G HA2 0.297 4.257 3.960 -0.001 0.000 0.259 270 G HA3 0.297 4.257 3.960 -0.001 0.000 0.259 270 G C -0.515 174.479 174.900 0.157 0.000 1.244 270 G CA -0.371 44.888 45.100 0.266 0.000 0.849 270 G HN 0.376 nan 8.290 nan 0.000 0.532 271 V N 2.563 122.563 119.914 0.144 0.000 2.305 271 V HA 0.546 4.666 4.120 -0.001 0.000 0.275 271 V C 1.010 177.153 176.094 0.082 0.000 1.020 271 V CA 0.321 62.673 62.300 0.088 0.000 0.811 271 V CB 0.642 32.499 31.823 0.058 0.000 1.031 271 V HN 1.542 nan 8.190 nan 0.000 0.439 272 G N 3.952 112.796 108.800 0.074 0.000 2.225 272 G HA2 0.045 4.004 3.960 -0.001 0.000 0.267 272 G HA3 0.045 4.004 3.960 -0.001 0.000 0.267 272 G C 0.163 175.094 174.900 0.052 0.000 1.024 272 G CA 0.624 45.757 45.100 0.055 0.000 0.784 272 G HN 1.641 nan 8.290 nan 0.000 0.507 273 A N -1.081 121.781 122.820 0.069 0.000 2.549 273 A HA 0.828 5.148 4.320 -0.001 0.000 0.297 273 A C -0.302 177.268 177.584 -0.025 0.000 1.061 273 A CA -0.593 51.433 52.037 -0.019 0.000 0.690 273 A CB 1.408 20.363 19.000 -0.074 0.000 1.287 273 A HN 0.309 nan 8.150 nan 0.000 0.402 274 K N 0.077 120.370 120.400 -0.178 0.000 2.221 274 K HA 0.716 5.036 4.320 -0.001 0.000 0.243 274 K C -1.863 174.506 176.600 -0.384 0.000 0.968 274 K CA -0.412 55.813 56.287 -0.103 0.000 0.846 274 K CB 1.728 34.205 32.500 -0.038 0.000 1.141 274 K HN 0.615 nan 8.250 nan 0.000 0.434 275 Y N 0.140 120.476 120.300 0.060 0.000 2.401 275 Y HA 0.250 4.799 4.550 -0.001 0.000 0.330 275 Y C -0.605 175.305 175.900 0.017 0.000 1.071 275 Y CA -0.849 57.286 58.100 0.059 0.000 1.049 275 Y CB 2.097 40.616 38.460 0.100 0.000 1.239 275 Y HN 0.533 nan 8.280 nan 0.000 0.437 276 E N 2.649 122.877 120.200 0.047 0.000 2.234 276 E HA 0.780 5.130 4.350 -0.001 0.000 0.266 276 E C -1.913 174.521 176.600 -0.277 0.000 0.877 276 E CA -0.780 55.546 56.400 -0.122 0.000 0.758 276 E CB 1.755 31.322 29.700 -0.221 0.000 1.170 276 E HN 0.478 nan 8.360 nan 0.000 0.415 277 V N 4.441 124.083 119.914 -0.453 0.000 2.604 277 V HA 0.430 4.549 4.120 -0.001 0.000 0.305 277 V C -0.716 174.799 176.094 -0.965 0.000 1.043 277 V CA -0.869 60.990 62.300 -0.736 0.000 0.888 277 V CB 1.751 32.926 31.823 -1.080 0.000 0.995 277 V HN 0.684 nan 8.190 nan 0.000 0.429 278 H N 2.393 121.319 119.070 -0.240 0.000 2.600 278 H HA 0.777 5.333 4.556 -0.001 0.000 0.357 278 H C -0.205 175.176 175.328 0.088 0.000 1.106 278 H CA -0.432 55.573 56.048 -0.071 0.000 1.193 278 H CB 2.243 32.022 29.762 0.029 0.000 1.594 278 H HN 0.814 nan 8.280 nan 0.000 0.526 279 A N 3.330 126.333 122.820 0.306 0.000 2.324 279 A HA 0.518 4.838 4.320 -0.001 0.000 0.330 279 A C -1.274 176.650 177.584 0.566 0.000 1.165 279 A CA -0.714 51.565 52.037 0.403 0.000 0.813 279 A CB 1.537 20.747 19.000 0.350 0.000 1.197 279 A HN 0.751 nan 8.150 nan 0.000 0.484 280 W N 2.624 124.117 121.300 0.321 0.000 3.405 280 W HA 0.321 4.980 4.660 -0.001 0.000 0.329 280 W C -0.761 175.893 176.519 0.225 0.000 1.142 280 W CA -0.655 56.838 57.345 0.246 0.000 1.235 280 W CB 0.947 30.514 29.460 0.178 0.000 1.341 280 W HN 0.918 nan 8.180 nan 0.000 0.481 281 K N 5.509 125.569 120.400 -0.567 0.000 3.156 281 K HA -0.242 4.078 4.320 -0.001 0.000 0.266 281 K C -0.183 176.334 176.600 -0.137 0.000 0.966 281 K CA 1.576 57.578 56.287 -0.475 0.000 0.719 281 K CB -1.120 31.014 32.500 -0.610 0.000 1.333 281 K HN 0.649 nan 8.250 nan 0.000 0.468 282 D N -1.066 119.339 120.400 0.008 0.000 2.945 282 D HA -0.181 4.458 4.640 -0.001 0.000 0.225 282 D C -0.376 175.810 176.300 -0.190 0.000 1.158 282 D CA 1.252 55.258 54.000 0.010 0.000 0.805 282 D CB -0.286 40.539 40.800 0.042 0.000 1.098 282 D HN 0.335 nan 8.370 nan 0.000 0.426 283 R N -0.121 120.292 120.500 -0.145 0.000 2.740 283 R HA 0.566 4.906 4.340 -0.001 0.000 0.282 283 R C -0.081 176.108 176.300 -0.185 0.000 0.969 283 R CA -0.637 55.281 56.100 -0.303 0.000 0.918 283 R CB 0.811 30.942 30.300 -0.281 0.000 1.175 283 R HN -0.167 nan 8.270 nan 0.000 0.464 284 F N 1.728 121.322 119.950 -0.594 0.000 2.421 284 F HA 0.399 4.926 4.527 -0.001 0.000 0.337 284 F C -0.010 175.365 175.800 -0.709 0.000 1.105 284 F CA -1.478 56.206 58.000 -0.526 0.000 1.049 284 F CB 0.697 39.361 39.000 -0.560 0.000 1.139 284 F HN 0.291 nan 8.300 nan 0.000 0.479 285 Y N 1.772 122.081 120.300 0.015 0.000 2.356 285 Y HA 0.518 5.068 4.550 -0.001 0.000 0.334 285 Y C -0.268 175.571 175.900 -0.102 0.000 0.958 285 Y CA -0.918 57.175 58.100 -0.013 0.000 1.196 285 Y CB 1.507 40.000 38.460 0.055 0.000 1.137 285 Y HN 0.175 nan 8.280 nan 0.000 0.485 286 V N 5.712 125.613 119.914 -0.023 0.000 2.334 286 V HA 0.243 4.362 4.120 -0.001 0.000 0.281 286 V C -0.492 175.657 176.094 0.092 0.000 1.016 286 V CA -0.770 61.498 62.300 -0.055 0.000 0.832 286 V CB 1.282 32.975 31.823 -0.217 0.000 0.999 286 V HN 0.513 nan 8.190 nan 0.000 0.439 287 L N 5.451 126.696 121.223 0.037 0.000 2.281 287 L HA 0.768 5.107 4.340 -0.001 0.000 0.285 287 L C 0.055 176.947 176.870 0.035 0.000 1.074 287 L CA 1.116 55.978 54.840 0.038 0.000 0.817 287 L CB 1.318 43.369 42.059 -0.013 0.000 1.168 287 L HN 0.788 nan 8.230 nan 0.000 0.434 288 T N 1.875 116.458 114.554 0.048 0.000 2.889 288 T HA 0.374 4.724 4.350 -0.001 0.000 0.315 288 T C -0.310 174.362 174.700 -0.047 0.000 1.291 288 T CA -0.182 61.875 62.100 -0.071 0.000 1.028 288 T CB 1.172 69.999 68.868 -0.068 0.000 1.235 288 T HN 0.712 nan 8.240 nan 0.000 0.491 289 D N 1.374 121.698 120.400 -0.127 0.000 2.342 289 D HA 0.100 4.740 4.640 -0.001 0.000 0.221 289 D C 0.462 176.743 176.300 -0.032 0.000 1.101 289 D CA -0.228 53.745 54.000 -0.045 0.000 0.837 289 D CB 0.038 40.826 40.800 -0.019 0.000 0.938 289 D HN 0.619 nan 8.370 nan 0.000 0.508 290 E N 0.915 121.074 120.200 -0.069 0.000 2.406 290 E HA 0.248 4.598 4.350 -0.001 0.000 0.258 290 E C 0.887 177.560 176.600 0.123 0.000 1.043 290 E CA 0.534 56.951 56.400 0.029 0.000 0.929 290 E CB -0.057 29.698 29.700 0.092 0.000 0.969 290 E HN 0.392 nan 8.360 nan 0.000 0.462 291 G N 3.214 112.067 108.800 0.088 0.000 2.203 291 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.263 291 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.263 291 G C 0.129 175.080 174.900 0.086 0.000 1.012 291 G CA 0.353 45.508 45.100 0.092 0.000 0.749 291 G HN 0.876 nan 8.290 nan 0.000 0.512 292 A N -1.025 121.838 122.820 0.072 0.000 2.893 292 A HA 0.739 5.059 4.320 -0.001 0.000 0.298 292 A C -1.153 176.462 177.584 0.052 0.000 1.227 292 A CA 0.114 52.188 52.037 0.061 0.000 0.845 292 A CB 0.916 19.955 19.000 0.066 0.000 1.430 292 A HN -0.013 nan 8.150 nan 0.000 0.493 293 P HA -0.166 nan 4.420 nan 0.000 0.217 293 P C 1.154 178.497 177.300 0.071 0.000 1.148 293 P CA 1.301 64.439 63.100 0.064 0.000 0.828 293 P CB 0.155 31.898 31.700 0.070 0.000 0.783 294 R N -1.156 119.385 120.500 0.069 0.000 2.334 294 R HA 0.150 4.489 4.340 -0.001 0.000 0.220 294 R C 0.098 176.433 176.300 0.058 0.000 0.917 294 R CA 0.002 56.146 56.100 0.074 0.000 1.073 294 R CB -0.172 30.182 30.300 0.090 0.000 1.056 294 R HN 0.293 nan 8.270 nan 0.000 0.506 295 Q N 0.076 119.901 119.800 0.041 0.000 3.166 295 Q HA -0.196 4.144 4.340 -0.001 0.000 0.025 295 Q C -0.906 175.106 176.000 0.020 0.000 1.692 295 Q CA 0.950 56.764 55.803 0.019 0.000 0.233 295 Q CB -0.314 28.415 28.738 -0.015 0.000 1.400 295 Q HN 0.543 nan 8.270 nan 0.000 0.320 296 R N -2.058 118.445 120.500 0.005 0.000 2.747 296 R HA 0.836 5.176 4.340 -0.001 0.000 0.272 296 R C -1.566 174.704 176.300 -0.051 0.000 1.032 296 R CA -1.044 55.032 56.100 -0.040 0.000 0.896 296 R CB 1.303 31.542 30.300 -0.101 0.000 1.253 296 R HN 0.252 nan 8.270 nan 0.000 0.461 297 V N 1.305 121.148 119.914 -0.119 0.000 2.540 297 V HA 0.543 4.662 4.120 -0.001 0.000 0.302 297 V C -1.049 174.940 176.094 -0.174 0.000 1.035 297 V CA -0.613 61.659 62.300 -0.046 0.000 0.873 297 V CB 1.334 33.174 31.823 0.029 0.000 0.992 297 V HN 0.527 nan 8.190 nan 0.000 0.428 298 F N 1.775 121.758 119.950 0.054 0.000 2.470 298 F HA 0.535 5.062 4.527 -0.001 0.000 0.329 298 F C 0.466 176.201 175.800 -0.107 0.000 1.072 298 F CA -0.543 57.469 58.000 0.020 0.000 0.989 298 F CB 1.617 40.653 39.000 0.060 0.000 1.193 298 F HN 0.493 nan 8.300 nan 0.000 0.481 299 E N 1.860 122.098 120.200 0.062 0.000 2.156 299 E HA 0.592 4.941 4.350 -0.001 0.000 0.279 299 E C -1.731 174.725 176.600 -0.240 0.000 0.965 299 E CA -0.517 55.762 56.400 -0.202 0.000 0.789 299 E CB 1.436 31.041 29.700 -0.158 0.000 1.098 299 E HN 0.432 nan 8.360 nan 0.000 0.397 300 V N 3.848 123.502 119.914 -0.433 0.000 2.604 300 V HA 0.166 4.286 4.120 -0.001 0.000 0.305 300 V C -0.478 175.295 176.094 -0.535 0.000 1.043 300 V CA -0.958 61.044 62.300 -0.497 0.000 0.888 300 V CB 1.836 33.205 31.823 -0.758 0.000 0.995 300 V HN 0.722 nan 8.190 nan 0.000 0.429 301 D N 6.058 126.221 120.400 -0.395 0.000 2.313 301 D HA 0.335 4.974 4.640 -0.001 0.000 0.239 301 D C -1.648 174.341 176.300 -0.519 0.000 1.142 301 D CA -2.169 51.592 54.000 -0.399 0.000 0.847 301 D CB 2.186 42.870 40.800 -0.193 0.000 1.082 301 D HN 0.176 nan 8.370 nan 0.000 0.480 302 P HA -0.075 nan 4.420 nan 0.000 0.219 302 P C 0.795 178.024 177.300 -0.119 0.000 1.146 302 P CA 0.884 63.494 63.100 -0.817 0.000 0.808 302 P CB 0.189 31.267 31.700 -1.036 0.000 0.779 303 A N -0.777 121.989 122.820 -0.091 0.000 2.119 303 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 303 A C 1.343 178.940 177.584 0.023 0.000 1.152 303 A CA 0.993 53.040 52.037 0.017 0.000 0.708 303 A CB -0.432 18.566 19.000 -0.005 0.000 0.805 303 A HN 0.098 nan 8.150 nan 0.000 0.460 304 K N -0.160 120.234 120.400 -0.011 0.000 3.146 304 K HA 0.189 4.509 4.320 -0.001 0.000 0.168 304 K C -2.497 174.138 176.600 0.058 0.000 1.075 304 K CA -0.991 55.311 56.287 0.025 0.000 0.843 304 K CB 1.493 33.998 32.500 0.008 0.000 1.002 304 K HN 0.193 nan 8.250 nan 0.000 0.597 305 P HA 0.032 nan 4.420 nan 0.000 0.257 305 P C 0.193 177.696 177.300 0.339 0.000 1.281 305 P CA 0.071 63.287 63.100 0.193 0.000 0.826 305 P CB 0.192 32.051 31.700 0.266 0.000 1.237 306 A N 0.947 123.879 122.820 0.185 0.000 2.498 306 A HA 0.076 4.396 4.320 -0.001 0.000 0.239 306 A C 1.769 179.293 177.584 -0.100 0.000 1.068 306 A CA -0.136 51.938 52.037 0.061 0.000 0.766 306 A CB 0.187 19.190 19.000 0.005 0.000 1.003 306 A HN -0.063 nan 8.150 nan 0.000 0.497 307 R N 2.209 122.441 120.500 -0.447 0.000 2.119 307 R HA -0.204 4.136 4.340 -0.001 0.000 0.246 307 R C 1.985 177.863 176.300 -0.703 0.000 1.146 307 R CA 2.660 58.080 56.100 -1.133 0.000 0.962 307 R CB -0.917 28.835 30.300 -0.913 0.000 0.863 307 R HN 0.858 nan 8.270 nan 0.000 0.442 308 A N -1.053 121.574 122.820 -0.321 0.000 2.070 308 A HA -0.061 4.258 4.320 -0.001 0.000 0.220 308 A C 1.959 179.514 177.584 -0.048 0.000 1.159 308 A CA 1.754 53.696 52.037 -0.158 0.000 0.656 308 A CB -0.314 18.628 19.000 -0.096 0.000 0.800 308 A HN 0.392 nan 8.150 nan 0.000 0.453 309 S N -1.317 114.389 115.700 0.010 0.000 2.575 309 S HA 0.072 4.542 4.470 -0.001 0.000 0.215 309 S C -0.220 174.530 174.600 0.250 0.000 0.966 309 S CA -0.576 57.691 58.200 0.112 0.000 0.911 309 S CB -0.134 63.127 63.200 0.103 0.000 0.780 309 S HN 0.635 nan 8.310 nan 0.000 0.514 310 W N 4.153 125.428 121.300 -0.042 0.000 2.181 310 W HA 0.311 4.971 4.660 -0.000 0.000 0.335 310 W C 0.572 177.184 176.519 0.154 0.000 1.310 310 W CA -1.613 55.730 57.345 -0.004 0.000 1.226 310 W CB 0.098 29.437 29.460 -0.201 0.000 1.155 310 W HN 0.048 nan 8.180 nan 0.000 0.565 311 K N 1.620 122.271 120.400 0.419 0.000 2.323 311 K HA 0.398 4.718 4.320 -0.001 0.000 0.259 311 K C -0.433 176.363 176.600 0.326 0.000 0.947 311 K CA -0.794 55.687 56.287 0.324 0.000 0.819 311 K CB 2.091 34.682 32.500 0.152 0.000 1.109 311 K HN 0.504 nan 8.250 nan 0.000 0.429 312 E N 4.670 124.987 120.200 0.194 0.000 2.265 312 E HA 0.032 4.382 4.350 -0.001 0.000 0.272 312 E C 0.414 176.961 176.600 -0.089 0.000 1.067 312 E CA -0.254 56.019 56.400 -0.210 0.000 0.900 312 E CB 0.430 29.963 29.700 -0.280 0.000 1.017 312 E HN 0.810 nan 8.360 nan 0.000 0.431 313 I N 1.499 122.013 120.570 -0.092 0.000 3.790 313 I HA 0.180 4.350 4.170 -0.001 0.000 0.305 313 I C -0.234 175.869 176.117 -0.022 0.000 1.253 313 I CA -0.301 60.991 61.300 -0.015 0.000 1.355 313 I CB 0.879 38.911 38.000 0.055 0.000 1.137 313 I HN 0.104 nan 8.210 nan 0.000 0.435 314 V N 3.734 123.613 119.914 -0.059 0.000 2.357 314 V HA 0.475 4.595 4.120 -0.001 0.000 0.281 314 V C -2.456 173.600 176.094 -0.063 0.000 1.015 314 V CA -1.466 60.820 62.300 -0.023 0.000 0.827 314 V CB 0.850 32.687 31.823 0.024 0.000 1.018 314 V HN 0.032 nan 8.190 nan 0.000 0.432 315 P HA 0.097 nan 4.420 nan 0.000 0.271 315 P C 0.075 177.373 177.300 -0.004 0.000 1.233 315 P CA -0.250 62.817 63.100 -0.054 0.000 0.789 315 P CB 0.657 32.338 31.700 -0.032 0.000 0.951 316 E N 1.297 121.496 120.200 -0.002 0.000 2.529 316 E HA -0.083 4.266 4.350 -0.001 0.000 0.259 316 E C -0.032 176.593 176.600 0.041 0.000 0.966 316 E CA 0.146 56.569 56.400 0.038 0.000 0.937 316 E CB 0.199 29.918 29.700 0.032 0.000 0.923 316 E HN 0.373 nan 8.360 nan 0.000 0.468 317 D N 2.056 122.501 120.400 0.075 0.000 2.341 317 D HA -0.037 4.603 4.640 -0.001 0.000 0.245 317 D C 0.849 177.153 176.300 0.007 0.000 1.106 317 D CA 0.214 54.223 54.000 0.015 0.000 0.905 317 D CB 1.108 41.897 40.800 -0.018 0.000 1.202 317 D HN 0.531 nan 8.370 nan 0.000 0.426 318 S N 1.084 116.772 115.700 -0.020 0.000 2.481 318 S HA -0.120 4.350 4.470 -0.001 0.000 0.231 318 S C 1.438 176.030 174.600 -0.014 0.000 0.996 318 S CA 1.235 59.425 58.200 -0.016 0.000 0.942 318 S CB 0.009 63.193 63.200 -0.027 0.000 0.768 318 S HN 0.479 nan 8.310 nan 0.000 0.520 319 S N -0.191 115.501 115.700 -0.014 0.000 2.692 319 S HA 0.612 5.082 4.470 -0.001 0.000 0.269 319 S C 0.448 175.073 174.600 0.041 0.000 1.080 319 S CA 0.071 58.272 58.200 0.002 0.000 1.058 319 S CB -0.211 62.977 63.200 -0.020 0.000 0.982 319 S HN 0.676 nan 8.310 nan 0.000 0.534 320 A N 1.904 124.742 122.820 0.031 0.000 2.310 320 A HA 0.762 5.082 4.320 -0.001 0.000 0.299 320 A C 0.011 177.719 177.584 0.206 0.000 1.147 320 A CA -0.389 51.704 52.037 0.092 0.000 0.818 320 A CB 0.695 19.693 19.000 -0.003 0.000 1.096 320 A HN 0.317 nan 8.150 nan 0.000 0.495 321 S N 1.339 117.145 115.700 0.177 0.000 2.465 321 S HA 0.334 4.803 4.470 -0.001 0.000 0.279 321 S C -0.247 174.414 174.600 0.102 0.000 1.201 321 S CA -0.343 57.930 58.200 0.122 0.000 1.053 321 S CB 0.517 63.735 63.200 0.029 0.000 0.953 321 S HN 0.624 nan 8.310 nan 0.000 0.488 322 L N 5.533 126.748 121.223 -0.012 0.000 2.315 322 L HA 0.325 4.665 4.340 -0.001 0.000 0.283 322 L C 0.443 177.185 176.870 -0.213 0.000 1.089 322 L CA 0.360 54.987 54.840 -0.355 0.000 0.833 322 L CB -0.088 41.746 42.059 -0.374 0.000 1.170 322 L HN 0.738 nan 8.230 nan 0.000 0.442 323 L N 3.003 124.091 121.223 -0.226 0.000 2.221 323 L HA 0.264 4.603 4.340 -0.001 0.000 0.202 323 L C 0.636 177.436 176.870 -0.115 0.000 1.074 323 L CA 0.590 55.354 54.840 -0.127 0.000 0.795 323 L CB -0.218 41.785 42.059 -0.093 0.000 0.960 323 L HN 0.802 nan 8.230 nan 0.000 0.458 324 S N -1.382 114.229 115.700 -0.148 0.000 2.565 324 S HA 0.644 5.113 4.470 -0.001 0.000 0.269 324 S C -1.055 173.481 174.600 -0.107 0.000 1.153 324 S CA -0.766 57.379 58.200 -0.092 0.000 0.835 324 S CB 2.422 65.585 63.200 -0.062 0.000 1.122 324 S HN -0.197 nan 8.310 nan 0.000 0.462 325 V N 2.305 122.195 119.914 -0.039 0.000 2.531 325 V HA 0.832 4.951 4.120 -0.001 0.000 0.301 325 V C -0.216 175.825 176.094 -0.087 0.000 1.034 325 V CA -0.291 61.983 62.300 -0.042 0.000 0.865 325 V CB 1.606 33.447 31.823 0.030 0.000 0.995 325 V HN 1.206 nan 8.190 nan 0.000 0.424 326 S N 4.933 120.547 115.700 -0.143 0.000 2.536 326 S HA 0.797 5.266 4.470 -0.001 0.000 0.298 326 S C -0.877 173.588 174.600 -0.225 0.000 1.083 326 S CA -0.778 57.285 58.200 -0.229 0.000 0.995 326 S CB 1.881 64.972 63.200 -0.182 0.000 1.058 326 S HN 0.499 nan 8.310 nan 0.000 0.488 327 I N 2.759 123.155 120.570 -0.291 0.000 2.307 327 I HA 0.486 4.655 4.170 -0.001 0.000 0.289 327 I C -0.686 175.235 176.117 -0.327 0.000 1.021 327 I CA -0.865 60.236 61.300 -0.331 0.000 1.224 327 I CB 1.358 39.106 38.000 -0.419 0.000 1.376 327 I HN 0.660 nan 8.210 nan 0.000 0.470 328 V N 1.834 121.604 119.914 -0.240 0.000 2.760 328 V HA 0.793 4.912 4.120 -0.001 0.000 0.309 328 V C 0.590 176.605 176.094 -0.132 0.000 1.077 328 V CA -0.676 61.511 62.300 -0.190 0.000 0.910 328 V CB 1.234 32.982 31.823 -0.126 0.000 1.008 328 V HN 0.970 nan 8.190 nan 0.000 0.424 329 G N 2.021 110.747 108.800 -0.125 0.000 2.390 329 G HA2 0.136 4.096 3.960 -0.001 0.000 0.299 329 G HA3 0.136 4.096 3.960 -0.001 0.000 0.299 329 G C 1.397 176.357 174.900 0.100 0.000 1.002 329 G CA 0.974 46.050 45.100 -0.041 0.000 0.979 329 G HN 2.929 nan 8.290 nan 0.000 0.513 330 G N -2.081 106.735 108.800 0.028 0.000 2.155 330 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.257 330 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.257 330 G C 0.185 175.118 174.900 0.054 0.000 0.983 330 G CA 1.328 46.492 45.100 0.105 0.000 0.676 330 G HN 1.464 nan 8.290 nan 0.000 0.528 331 H N -1.538 117.461 119.070 -0.118 0.000 2.907 331 H HA 0.728 5.284 4.556 -0.001 0.000 0.361 331 H C 0.280 175.505 175.328 -0.171 0.000 1.194 331 H CA -0.877 55.106 56.048 -0.109 0.000 1.152 331 H CB 1.076 30.791 29.762 -0.079 0.000 1.867 331 H HN 0.150 nan 8.280 nan 0.000 0.561 332 L N 0.805 122.006 121.223 -0.035 0.000 2.312 332 L HA 0.411 4.750 4.340 -0.001 0.000 0.281 332 L C 0.172 177.022 176.870 -0.033 0.000 1.070 332 L CA -0.452 54.335 54.840 -0.089 0.000 0.805 332 L CB 1.339 43.341 42.059 -0.095 0.000 1.174 332 L HN 0.395 nan 8.230 nan 0.000 0.434 333 S N 4.133 119.792 115.700 -0.067 0.000 2.449 333 S HA 0.674 5.144 4.470 -0.001 0.000 0.310 333 S C -0.689 173.871 174.600 -0.066 0.000 1.096 333 S CA -0.609 57.557 58.200 -0.057 0.000 1.095 333 S CB 0.526 63.682 63.200 -0.072 0.000 1.007 333 S HN 0.434 nan 8.310 nan 0.000 0.474 334 L N 4.394 125.592 121.223 -0.042 0.000 2.319 334 L HA 0.543 4.883 4.340 -0.001 0.000 0.281 334 L C 0.147 176.944 176.870 -0.122 0.000 1.005 334 L CA -0.477 54.300 54.840 -0.105 0.000 0.828 334 L CB 1.599 43.650 42.059 -0.015 0.000 1.227 334 L HN 0.629 nan 8.230 nan 0.000 0.415 335 E N 3.267 123.340 120.200 -0.211 0.000 2.081 335 E HA 0.289 4.638 4.350 -0.001 0.000 0.281 335 E C -1.488 174.960 176.600 -0.254 0.000 0.986 335 E CA -0.476 55.840 56.400 -0.140 0.000 0.796 335 E CB 0.754 30.394 29.700 -0.100 0.000 1.085 335 E HN 0.387 nan 8.360 nan 0.000 0.398 336 Y N 2.705 122.986 120.300 -0.031 0.000 2.496 336 Y HA 0.418 4.968 4.550 -0.001 0.000 0.331 336 Y C -0.199 175.685 175.900 -0.027 0.000 1.140 336 Y CA -0.923 57.161 58.100 -0.027 0.000 1.166 336 Y CB 1.317 39.762 38.460 -0.025 0.000 1.249 336 Y HN 0.443 nan 8.280 nan 0.000 0.479 337 L N 2.750 124.058 121.223 0.141 0.000 2.349 337 L HA 0.479 4.818 4.340 -0.001 0.000 0.278 337 L C -1.020 175.875 176.870 0.041 0.000 0.996 337 L CA -0.692 54.178 54.840 0.051 0.000 0.825 337 L CB 1.202 43.243 42.059 -0.030 0.000 1.243 337 L HN 0.537 nan 8.230 nan 0.000 0.412 338 K N 3.864 124.285 120.400 0.035 0.000 2.394 338 K HA 0.307 4.626 4.320 -0.001 0.000 0.260 338 K C -0.754 175.863 176.600 0.028 0.000 0.967 338 K CA -0.453 55.852 56.287 0.029 0.000 0.855 338 K CB 0.749 33.267 32.500 0.030 0.000 1.101 338 K HN 0.605 nan 8.250 nan 0.000 0.433 339 D N 3.808 124.216 120.400 0.013 0.000 2.704 339 D HA -0.271 4.368 4.640 -0.001 0.000 0.232 339 D C 0.252 176.523 176.300 -0.048 0.000 1.183 339 D CA 1.370 55.386 54.000 0.026 0.000 0.647 339 D CB -0.801 40.121 40.800 0.203 0.000 1.013 339 D HN 0.917 nan 8.370 nan 0.000 0.415 340 A N -1.826 120.886 122.820 -0.179 0.000 3.172 340 A HA -0.266 4.054 4.320 -0.001 0.000 0.263 340 A C 0.778 178.453 177.584 0.151 0.000 1.215 340 A CA 1.920 53.915 52.037 -0.070 0.000 1.065 340 A CB -1.572 17.360 19.000 -0.113 0.000 1.148 340 A HN 0.406 nan 8.150 nan 0.000 0.904 341 T N 1.274 115.906 114.554 0.129 0.000 2.856 341 T HA 0.625 4.975 4.350 -0.001 0.000 0.283 341 T C 0.283 175.040 174.700 0.096 0.000 1.008 341 T CA 0.256 62.447 62.100 0.153 0.000 0.997 341 T CB 1.649 70.633 68.868 0.192 0.000 0.992 341 T HN 0.978 nan 8.240 nan 0.000 0.454 342 S N 1.887 117.641 115.700 0.089 0.000 2.646 342 S HA 0.665 5.134 4.470 -0.001 0.000 0.276 342 S C -0.472 174.178 174.600 0.084 0.000 1.222 342 S CA -0.960 57.287 58.200 0.079 0.000 1.014 342 S CB 1.682 64.917 63.200 0.057 0.000 0.991 342 S HN 0.792 nan 8.310 nan 0.000 0.533 343 E N 0.498 120.748 120.200 0.083 0.000 2.292 343 E HA 0.550 4.900 4.350 -0.001 0.000 0.272 343 E C -1.928 174.716 176.600 0.074 0.000 0.881 343 E CA -0.817 55.617 56.400 0.056 0.000 0.754 343 E CB 1.784 31.510 29.700 0.043 0.000 1.201 343 E HN 0.499 nan 8.360 nan 0.000 0.425 344 V N 4.610 124.519 119.914 -0.009 0.000 2.448 344 V HA 0.528 4.648 4.120 -0.001 0.000 0.295 344 V C -0.345 175.737 176.094 -0.020 0.000 1.025 344 V CA -0.651 61.631 62.300 -0.031 0.000 0.859 344 V CB 1.465 33.188 31.823 -0.167 0.000 0.988 344 V HN 0.633 nan 8.190 nan 0.000 0.431 345 R N 3.294 123.828 120.500 0.057 0.000 2.534 345 R HA 0.726 5.066 4.340 -0.001 0.000 0.301 345 R C -1.340 174.978 176.300 0.029 0.000 0.961 345 R CA -0.762 55.365 56.100 0.046 0.000 0.871 345 R CB 2.460 32.824 30.300 0.108 0.000 1.170 345 R HN 0.490 nan 8.270 nan 0.000 0.446 346 V N 2.253 122.168 119.914 0.002 0.000 2.439 346 V HA 0.653 4.772 4.120 -0.001 0.000 0.282 346 V C 0.077 176.206 176.094 0.059 0.000 1.039 346 V CA -0.434 61.875 62.300 0.015 0.000 0.913 346 V CB 1.335 33.142 31.823 -0.028 0.000 0.983 346 V HN 0.954 nan 8.190 nan 0.000 0.460 347 A N 3.236 126.105 122.820 0.082 0.000 2.479 347 A HA 0.882 5.202 4.320 -0.001 0.000 0.296 347 A C 0.138 177.757 177.584 0.059 0.000 1.121 347 A CA -0.296 51.784 52.037 0.071 0.000 0.743 347 A CB 1.679 20.705 19.000 0.044 0.000 1.323 347 A HN 0.887 nan 8.150 nan 0.000 0.415 348 T N -0.773 113.771 114.554 -0.016 0.000 2.766 348 T HA 0.349 4.699 4.350 -0.001 0.000 0.295 348 T C 1.135 175.766 174.700 -0.114 0.000 1.024 348 T CA -0.268 61.731 62.100 -0.168 0.000 1.018 348 T CB 0.046 68.837 68.868 -0.129 0.000 1.002 348 T HN 0.455 nan 8.240 nan 0.000 0.532 349 L N 0.166 121.307 121.223 -0.137 0.000 2.353 349 L HA -0.035 4.304 4.340 -0.001 0.000 0.220 349 L C 2.300 179.232 176.870 0.103 0.000 1.133 349 L CA 1.026 55.846 54.840 -0.033 0.000 0.798 349 L CB -0.451 41.627 42.059 0.032 0.000 0.922 349 L HN 0.637 nan 8.230 nan 0.000 0.445 350 K N 0.080 120.511 120.400 0.050 0.000 2.404 350 K HA 0.194 4.513 4.320 -0.001 0.000 0.194 350 K C 1.276 177.907 176.600 0.052 0.000 1.023 350 K CA 0.772 57.099 56.287 0.067 0.000 1.094 350 K CB 0.623 33.145 32.500 0.036 0.000 0.841 350 K HN 0.329 nan 8.250 nan 0.000 0.523 351 G N 1.892 110.716 108.800 0.040 0.000 2.157 351 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.239 351 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.239 351 G C -0.173 174.740 174.900 0.022 0.000 0.982 351 G CA -0.172 44.948 45.100 0.034 0.000 0.650 351 G HN 0.097 nan 8.290 nan 0.000 0.527 352 K N 1.139 121.547 120.400 0.014 0.000 2.276 352 K HA 0.465 4.785 4.320 -0.001 0.000 0.283 352 K C -2.415 174.196 176.600 0.019 0.000 1.044 352 K CA -2.370 53.925 56.287 0.012 0.000 0.944 352 K CB 0.919 33.424 32.500 0.008 0.000 1.012 352 K HN 0.102 nan 8.250 nan 0.000 0.472 353 P HA 0.011 nan 4.420 nan 0.000 0.268 353 P C 0.419 177.734 177.300 0.025 0.000 1.204 353 P CA -0.085 63.026 63.100 0.017 0.000 0.768 353 P CB 0.657 32.356 31.700 -0.001 0.000 0.842 354 V N 3.347 123.283 119.914 0.037 0.000 2.721 354 V HA 0.207 4.326 4.120 -0.001 0.000 0.236 354 V C 0.960 177.059 176.094 0.009 0.000 1.116 354 V CA 1.104 63.429 62.300 0.042 0.000 1.148 354 V CB -0.304 31.576 31.823 0.094 0.000 0.886 354 V HN 0.664 nan 8.190 nan 0.000 0.490 355 R N -1.037 119.460 120.500 -0.005 0.000 2.712 355 R HA 0.444 4.783 4.340 -0.001 0.000 0.272 355 R C -1.590 174.687 176.300 -0.038 0.000 1.032 355 R CA -0.538 55.546 56.100 -0.027 0.000 0.874 355 R CB 1.408 31.684 30.300 -0.039 0.000 1.256 355 R HN 0.029 nan 8.270 nan 0.000 0.468 356 T N 1.539 116.062 114.554 -0.051 0.000 2.767 356 T HA 0.286 4.635 4.350 -0.001 0.000 0.284 356 T C -0.078 174.567 174.700 -0.092 0.000 0.973 356 T CA -0.566 61.495 62.100 -0.065 0.000 0.996 356 T CB 1.414 70.244 68.868 -0.064 0.000 0.927 356 T HN 0.339 nan 8.240 nan 0.000 0.456 357 V N 4.148 123.984 119.914 -0.129 0.000 2.540 357 V HA 0.046 4.166 4.120 -0.001 0.000 0.297 357 V C 0.692 176.679 176.094 -0.178 0.000 1.024 357 V CA -0.136 62.051 62.300 -0.188 0.000 1.105 357 V CB 0.578 32.200 31.823 -0.335 0.000 0.938 357 V HN 0.765 nan 8.190 nan 0.000 0.482 358 Q N 5.106 124.814 119.800 -0.154 0.000 2.324 358 Q HA 0.327 4.667 4.340 -0.001 0.000 0.257 358 Q C -0.653 175.222 176.000 -0.208 0.000 1.080 358 Q CA 0.356 56.070 55.803 -0.148 0.000 0.907 358 Q CB 0.336 29.004 28.738 -0.116 0.000 1.274 358 Q HN 0.660 nan 8.270 nan 0.000 0.434 359 L N 6.030 127.119 121.223 -0.224 0.000 2.439 359 L HA 0.325 4.665 4.340 -0.001 0.000 0.261 359 L C -1.216 175.390 176.870 -0.440 0.000 1.153 359 L CA -1.925 52.707 54.840 -0.347 0.000 0.808 359 L CB 0.453 42.347 42.059 -0.275 0.000 1.126 359 L HN 0.625 nan 8.230 nan 0.000 0.460 360 P HA 0.015 nan 4.420 nan 0.000 0.223 360 P C 0.347 177.444 177.300 -0.337 0.000 1.151 360 P CA 0.537 63.332 63.100 -0.507 0.000 0.787 360 P CB 0.318 31.690 31.700 -0.547 0.000 0.788 361 G N -2.301 106.265 108.800 -0.390 0.000 2.427 361 G HA2 0.327 4.287 3.960 -0.001 0.000 0.306 361 G HA3 0.327 4.287 3.960 -0.001 0.000 0.306 361 G C -1.735 173.266 174.900 0.170 0.000 1.280 361 G CA -0.520 44.570 45.100 -0.017 0.000 0.837 361 G HN -0.189 nan 8.290 nan 0.000 0.482 362 V N 1.059 121.127 119.914 0.256 0.000 2.461 362 V HA 0.715 4.835 4.120 -0.001 0.000 0.275 362 V C 1.049 177.342 176.094 0.332 0.000 1.047 362 V CA 1.367 63.828 62.300 0.268 0.000 0.955 362 V CB 0.250 32.196 31.823 0.204 0.000 0.988 362 V HN 1.801 nan 8.190 nan 0.000 0.471 363 G N 3.550 112.522 108.800 0.287 0.000 2.441 363 G HA2 0.592 4.552 3.960 -0.001 0.000 0.225 363 G HA3 0.592 4.552 3.960 -0.001 0.000 0.225 363 G C -1.190 173.673 174.900 -0.061 0.000 1.200 363 G CA -0.014 45.074 45.100 -0.020 0.000 0.947 363 G HN 1.011 nan 8.290 nan 0.000 0.484 364 A N -0.581 122.047 122.820 -0.319 0.000 2.288 364 A HA 0.948 5.267 4.320 -0.001 0.000 0.320 364 A C 0.073 177.600 177.584 -0.095 0.000 1.217 364 A CA 0.442 52.368 52.037 -0.186 0.000 0.840 364 A CB 0.941 19.787 19.000 -0.257 0.000 1.179 364 A HN 2.242 nan 8.150 nan 0.000 0.504 365 A N 2.089 124.964 122.820 0.092 0.000 2.371 365 A HA 0.752 5.071 4.320 -0.001 0.000 0.311 365 A C 0.368 178.030 177.584 0.130 0.000 1.068 365 A CA 0.028 52.202 52.037 0.228 0.000 0.744 365 A CB 0.916 20.083 19.000 0.279 0.000 1.239 365 A HN 1.881 nan 8.150 nan 0.000 0.435 366 S N 2.416 118.219 115.700 0.172 0.000 2.600 366 S HA 0.248 4.717 4.470 -0.001 0.000 0.265 366 S C 0.375 175.025 174.600 0.084 0.000 1.325 366 S CA -0.469 57.797 58.200 0.109 0.000 1.002 366 S CB 0.341 63.613 63.200 0.120 0.000 0.921 366 S HN 0.746 nan 8.310 nan 0.000 0.554 367 N N 0.197 118.915 118.700 0.029 0.000 2.340 367 N HA 0.157 4.896 4.740 -0.001 0.000 0.236 367 N C -0.325 175.209 175.510 0.041 0.000 1.296 367 N CA -0.258 52.789 53.050 -0.004 0.000 0.896 367 N CB -0.297 38.167 38.487 -0.039 0.000 1.127 367 N HN 0.658 nan 8.380 nan 0.000 0.442 368 L N 1.834 123.062 121.223 0.008 0.000 2.456 368 L HA 0.103 4.443 4.340 -0.001 0.000 0.272 368 L C 0.412 177.297 176.870 0.025 0.000 1.189 368 L CA 0.459 55.327 54.840 0.046 0.000 0.846 368 L CB 0.190 42.244 42.059 -0.009 0.000 1.111 368 L HN 0.380 nan 8.230 nan 0.000 0.475 369 M N 2.433 122.073 119.600 0.068 0.000 2.321 369 M HA 0.648 5.128 4.480 -0.001 0.000 0.315 369 M C 0.194 176.536 176.300 0.070 0.000 1.052 369 M CA -0.235 55.091 55.300 0.044 0.000 0.936 369 M CB 2.173 34.804 32.600 0.051 0.000 1.639 369 M HN 0.797 nan 8.290 nan 0.000 0.433 370 G N 2.420 111.231 108.800 0.019 0.000 2.498 370 G HA2 0.494 4.453 3.960 -0.001 0.000 0.181 370 G HA3 0.494 4.453 3.960 -0.001 0.000 0.181 370 G C -2.162 172.728 174.900 -0.017 0.000 1.169 370 G CA -0.789 44.330 45.100 0.031 0.000 0.992 370 G HN 0.558 nan 8.290 nan 0.000 0.490 371 L N 0.030 121.226 121.223 -0.045 0.000 2.333 371 L HA 0.470 4.809 4.340 -0.001 0.000 0.263 371 L C 1.005 177.737 176.870 -0.230 0.000 1.014 371 L CA -0.761 54.024 54.840 -0.091 0.000 0.820 371 L CB 2.410 44.464 42.059 -0.008 0.000 1.352 371 L HN 0.718 nan 8.230 nan 0.000 0.421 372 E N 0.234 120.161 120.200 -0.454 0.000 2.265 372 E HA -0.180 4.170 4.350 -0.001 0.000 0.196 372 E C 0.224 176.479 176.600 -0.575 0.000 0.996 372 E CA 1.109 56.997 56.400 -0.853 0.000 0.832 372 E CB -0.010 28.461 29.700 -2.048 0.000 0.756 372 E HN 0.585 nan 8.360 nan 0.000 0.491 373 D N -0.503 119.735 120.400 -0.269 0.000 2.571 373 D HA 0.068 4.707 4.640 -0.001 0.000 0.239 373 D C -0.286 176.025 176.300 0.018 0.000 1.267 373 D CA -0.171 53.829 54.000 -0.001 0.000 0.823 373 D CB -0.189 40.733 40.800 0.202 0.000 1.056 373 D HN 0.065 nan 8.370 nan 0.000 0.494 374 L N 0.465 121.673 121.223 -0.026 0.000 2.329 374 L HA 0.340 4.679 4.340 -0.001 0.000 0.279 374 L C 0.818 177.673 176.870 -0.025 0.000 1.014 374 L CA -0.723 54.116 54.840 -0.002 0.000 0.814 374 L CB 2.289 44.352 42.059 0.006 0.000 1.257 374 L HN -0.227 nan 8.230 nan 0.000 0.424 375 D N 0.224 120.615 120.400 -0.015 0.000 2.234 375 D HA -0.089 4.551 4.640 -0.001 0.000 0.205 375 D C 0.058 176.314 176.300 -0.074 0.000 0.962 375 D CA 0.732 54.707 54.000 -0.040 0.000 0.855 375 D CB 0.457 41.242 40.800 -0.024 0.000 0.951 375 D HN 0.402 nan 8.370 nan 0.000 0.500 376 D N 0.446 120.803 120.400 -0.072 0.000 2.312 376 D HA 0.462 5.101 4.640 -0.001 0.000 0.252 376 D C -0.375 175.809 176.300 -0.194 0.000 1.150 376 D CA 0.097 54.004 54.000 -0.155 0.000 0.870 376 D CB 1.495 42.205 40.800 -0.151 0.000 1.153 376 D HN 0.173 nan 8.370 nan 0.000 0.457 377 A N 2.617 125.281 122.820 -0.261 0.000 2.430 377 A HA 0.728 5.048 4.320 -0.001 0.000 0.300 377 A C -1.501 175.897 177.584 -0.310 0.000 1.124 377 A CA -0.684 51.249 52.037 -0.173 0.000 0.766 377 A CB 1.162 20.121 19.000 -0.068 0.000 1.328 377 A HN 0.456 nan 8.150 nan 0.000 0.424 378 Y N -0.560 119.715 120.300 -0.041 0.000 2.499 378 Y HA 0.615 5.164 4.550 -0.001 0.000 0.347 378 Y C -0.387 175.572 175.900 0.099 0.000 0.987 378 Y CA -0.372 57.693 58.100 -0.059 0.000 1.044 378 Y CB 1.996 40.319 38.460 -0.229 0.000 1.245 378 Y HN 0.777 nan 8.280 nan 0.000 0.461 379 Y N -1.289 119.116 120.300 0.175 0.000 2.588 379 Y HA 0.861 5.411 4.550 -0.000 0.000 0.343 379 Y C -2.015 174.018 175.900 0.221 0.000 1.065 379 Y CA -1.664 56.530 58.100 0.156 0.000 1.038 379 Y CB 0.830 39.359 38.460 0.115 0.000 1.297 379 Y HN 0.314 nan 8.280 nan 0.000 0.467 380 V N 3.693 123.769 119.914 0.271 0.000 2.435 380 V HA 0.437 4.556 4.120 -0.001 0.000 0.290 380 V C -1.082 175.224 176.094 0.354 0.000 1.030 380 V CA -0.602 61.813 62.300 0.191 0.000 0.881 380 V CB 1.278 33.172 31.823 0.120 0.000 0.983 380 V HN 0.736 nan 8.190 nan 0.000 0.445 381 F N 3.390 123.443 119.950 0.170 0.000 2.520 381 F HA 0.776 5.303 4.527 -0.001 0.000 0.322 381 F C -0.100 175.759 175.800 0.098 0.000 1.103 381 F CA 0.072 58.190 58.000 0.197 0.000 0.926 381 F CB 2.153 41.326 39.000 0.289 0.000 1.154 381 F HN 0.552 nan 8.300 nan 0.000 0.453 382 T N 3.028 117.056 114.554 -0.877 0.000 2.843 382 T HA 0.726 5.075 4.350 -0.001 0.000 0.302 382 T C -1.295 172.850 174.700 -0.925 0.000 1.232 382 T CA -0.098 61.596 62.100 -0.675 0.000 1.009 382 T CB 1.348 70.041 68.868 -0.293 0.000 1.254 382 T HN 1.000 nan 8.240 nan 0.000 0.504 383 S N 0.774 116.186 115.700 -0.480 0.000 2.705 383 S HA 0.588 5.057 4.470 -0.001 0.000 0.280 383 S C 0.182 174.684 174.600 -0.165 0.000 1.174 383 S CA -0.692 57.294 58.200 -0.356 0.000 0.823 383 S CB 0.464 63.582 63.200 -0.138 0.000 1.162 383 S HN 0.479 nan 8.310 nan 0.000 0.487 384 F N 1.664 121.600 119.950 -0.023 0.000 2.333 384 F HA 0.046 4.573 4.527 -0.001 0.000 0.300 384 F C 2.558 178.472 175.800 0.190 0.000 1.083 384 F CA 1.633 59.661 58.000 0.047 0.000 1.395 384 F CB -0.303 38.691 39.000 -0.009 0.000 1.056 384 F HN 0.855 nan 8.300 nan 0.000 0.529 385 T N -5.046 109.698 114.554 0.315 0.000 3.085 385 T HA 0.198 4.547 4.350 -0.001 0.000 0.264 385 T C 0.380 175.145 174.700 0.108 0.000 1.019 385 T CA -0.052 62.207 62.100 0.266 0.000 0.910 385 T CB -0.189 68.830 68.868 0.253 0.000 1.059 385 T HN -0.076 nan 8.240 nan 0.000 0.542 386 T N 4.302 118.861 114.554 0.009 0.000 2.934 386 T HA 0.473 4.823 4.350 -0.001 0.000 0.328 386 T C -2.977 171.485 174.700 -0.397 0.000 1.068 386 T CA -1.260 60.760 62.100 -0.133 0.000 1.018 386 T CB 1.718 70.620 68.868 0.057 0.000 1.009 386 T HN 0.011 nan 8.240 nan 0.000 0.471 387 P HA 0.133 nan 4.420 nan 0.000 0.268 387 P C 0.092 177.241 177.300 -0.250 0.000 1.208 387 P CA -0.428 62.208 63.100 -0.773 0.000 0.777 387 P CB 0.497 31.759 31.700 -0.730 0.000 0.875 388 R N 1.827 122.257 120.500 -0.116 0.000 2.494 388 R HA -0.036 4.304 4.340 -0.001 0.000 0.291 388 R C 0.318 176.606 176.300 -0.020 0.000 0.953 388 R CA 0.862 56.940 56.100 -0.036 0.000 1.098 388 R CB -0.311 29.988 30.300 -0.002 0.000 0.911 388 R HN 0.502 nan 8.270 nan 0.000 0.407 389 Q N 3.086 122.909 119.800 0.038 0.000 2.333 389 Q HA 0.408 4.748 4.340 -0.001 0.000 0.267 389 Q C -0.597 175.372 176.000 -0.051 0.000 1.012 389 Q CA -0.577 55.213 55.803 -0.022 0.000 0.824 389 Q CB 2.375 31.154 28.738 0.068 0.000 1.290 389 Q HN 0.482 nan 8.270 nan 0.000 0.449 390 I N 2.490 122.981 120.570 -0.133 0.000 2.377 390 I HA 0.332 4.501 4.170 -0.001 0.000 0.293 390 I C -0.968 174.968 176.117 -0.302 0.000 0.987 390 I CA -0.788 60.468 61.300 -0.073 0.000 1.185 390 I CB 0.696 38.804 38.000 0.180 0.000 1.341 390 I HN 0.510 nan 8.210 nan 0.000 0.455 391 Y N 4.886 125.041 120.300 -0.241 0.000 2.409 391 Y HA 0.409 4.959 4.550 -0.000 0.000 0.339 391 Y C 0.134 175.933 175.900 -0.169 0.000 1.033 391 Y CA -0.670 57.282 58.100 -0.247 0.000 1.094 391 Y CB 1.656 39.772 38.460 -0.574 0.000 1.210 391 Y HN 0.400 nan 8.280 nan 0.000 0.456 392 K N 1.853 122.251 120.400 -0.003 0.000 2.213 392 K HA 0.517 4.837 4.320 -0.001 0.000 0.270 392 K C -0.937 175.585 176.600 -0.130 0.000 1.002 392 K CA -0.273 55.833 56.287 -0.303 0.000 0.868 392 K CB 1.247 33.556 32.500 -0.318 0.000 1.093 392 K HN 0.748 nan 8.250 nan 0.000 0.454 393 T N 1.184 115.637 114.554 -0.168 0.000 2.906 393 T HA 0.231 4.580 4.350 -0.001 0.000 0.295 393 T C -1.207 173.429 174.700 -0.107 0.000 1.061 393 T CA -0.573 61.493 62.100 -0.057 0.000 1.000 393 T CB 1.540 70.436 68.868 0.047 0.000 1.103 393 T HN 0.524 nan 8.240 nan 0.000 0.486 394 S N 2.660 118.314 115.700 -0.077 0.000 2.465 394 S HA 0.324 4.794 4.470 -0.001 0.000 0.279 394 S C 1.417 175.948 174.600 -0.116 0.000 1.201 394 S CA -0.703 57.444 58.200 -0.089 0.000 1.053 394 S CB 0.473 63.635 63.200 -0.064 0.000 0.953 394 S HN 0.545 nan 8.310 nan 0.000 0.488 395 V N 5.391 125.214 119.914 -0.152 0.000 2.358 395 V HA -0.137 3.983 4.120 -0.001 0.000 0.246 395 V C 2.710 178.599 176.094 -0.342 0.000 1.047 395 V CA 2.254 64.408 62.300 -0.243 0.000 1.035 395 V CB -1.179 30.491 31.823 -0.256 0.000 0.658 395 V HN 1.013 nan 8.190 nan 0.000 0.452 396 S N 0.912 116.462 115.700 -0.250 0.000 2.383 396 S HA -0.196 4.274 4.470 -0.001 0.000 0.227 396 S C 1.891 176.420 174.600 -0.119 0.000 1.026 396 S CA 1.853 59.937 58.200 -0.194 0.000 0.981 396 S CB -0.633 62.527 63.200 -0.066 0.000 0.818 396 S HN 0.741 nan 8.310 nan 0.000 0.472 397 T N -3.960 110.540 114.554 -0.090 0.000 2.971 397 T HA 0.536 4.886 4.350 -0.001 0.000 0.252 397 T C 1.638 176.304 174.700 -0.057 0.000 1.022 397 T CA 0.756 62.823 62.100 -0.055 0.000 0.980 397 T CB 0.027 68.874 68.868 -0.034 0.000 1.044 397 T HN 1.234 nan 8.240 nan 0.000 0.501 398 G N 1.830 110.586 108.800 -0.074 0.000 2.179 398 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 398 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 398 G C 0.008 174.885 174.900 -0.037 0.000 0.977 398 G CA 0.383 45.446 45.100 -0.062 0.000 0.641 398 G HN 0.864 nan 8.290 nan 0.000 0.533 399 K N 0.852 121.234 120.400 -0.030 0.000 2.448 399 K HA 0.460 4.779 4.320 -0.001 0.000 0.278 399 K C 0.232 176.834 176.600 0.003 0.000 1.009 399 K CA 0.659 56.939 56.287 -0.012 0.000 0.995 399 K CB 0.379 32.873 32.500 -0.009 0.000 0.917 399 K HN 0.244 nan 8.250 nan 0.000 0.481 400 S N 2.728 118.444 115.700 0.028 0.000 2.570 400 S HA 0.382 4.852 4.470 -0.001 0.000 0.286 400 S C -1.867 172.800 174.600 0.112 0.000 1.099 400 S CA -0.813 57.434 58.200 0.077 0.000 0.913 400 S CB 1.155 64.406 63.200 0.086 0.000 1.085 400 S HN 0.750 nan 8.310 nan 0.000 0.480 401 E N 2.745 123.047 120.200 0.171 0.000 2.343 401 E HA 0.431 4.781 4.350 -0.001 0.000 0.278 401 E C -1.491 175.218 176.600 0.182 0.000 0.910 401 E CA -0.998 55.500 56.400 0.163 0.000 0.757 401 E CB 1.113 30.869 29.700 0.092 0.000 1.218 401 E HN 0.464 nan 8.360 nan 0.000 0.435 402 L N 3.817 125.083 121.223 0.072 0.000 2.534 402 L HA 0.137 4.477 4.340 -0.001 0.000 0.271 402 L C 0.056 176.881 176.870 -0.075 0.000 1.178 402 L CA 0.407 55.095 54.840 -0.253 0.000 0.907 402 L CB 0.290 42.205 42.059 -0.239 0.000 1.164 402 L HN 0.836 nan 8.230 nan 0.000 0.482 403 W N 5.292 126.428 121.300 -0.274 0.000 2.630 403 W HA 0.552 5.212 4.660 -0.001 0.000 0.275 403 W C 0.194 176.621 176.519 -0.154 0.000 1.192 403 W CA 0.726 57.990 57.345 -0.135 0.000 1.410 403 W CB 0.295 29.753 29.460 -0.004 0.000 1.075 403 W HN 0.677 nan 8.180 nan 0.000 0.581 404 A N 0.961 123.746 122.820 -0.059 0.000 2.604 404 A HA 0.620 4.940 4.320 -0.001 0.000 0.295 404 A C -1.581 175.920 177.584 -0.138 0.000 1.067 404 A CA -0.798 51.126 52.037 -0.188 0.000 0.683 404 A CB 1.521 20.406 19.000 -0.191 0.000 1.281 404 A HN -0.012 nan 8.150 nan 0.000 0.407 405 K N 1.260 121.577 120.400 -0.138 0.000 2.543 405 K HA 0.581 4.901 4.320 -0.001 0.000 0.255 405 K C -1.709 174.836 176.600 -0.092 0.000 0.934 405 K CA -0.561 55.660 56.287 -0.109 0.000 0.810 405 K CB 2.110 34.541 32.500 -0.115 0.000 1.315 405 K HN 0.540 nan 8.250 nan 0.000 0.433 406 V N 3.335 123.203 119.914 -0.077 0.000 2.508 406 V HA 0.084 4.203 4.120 -0.001 0.000 0.281 406 V C 0.089 176.140 176.094 -0.071 0.000 1.041 406 V CA -0.169 62.094 62.300 -0.062 0.000 1.016 406 V CB 1.127 32.925 31.823 -0.042 0.000 0.984 406 V HN 0.756 nan 8.190 nan 0.000 0.478 407 D N 3.689 124.061 120.400 -0.045 0.000 2.295 407 D HA 0.401 5.041 4.640 -0.001 0.000 0.248 407 D C -0.849 175.449 176.300 -0.004 0.000 1.154 407 D CA 0.107 54.087 54.000 -0.033 0.000 0.857 407 D CB 1.803 42.590 40.800 -0.023 0.000 1.117 407 D HN 0.293 nan 8.370 nan 0.000 0.468 408 V N 5.693 125.601 119.914 -0.009 0.000 2.588 408 V HA 0.279 4.399 4.120 -0.001 0.000 0.304 408 V C -2.117 174.012 176.094 0.057 0.000 1.042 408 V CA -1.447 60.879 62.300 0.044 0.000 0.877 408 V CB 2.123 33.967 31.823 0.034 0.000 0.996 408 V HN 0.435 nan 8.190 nan 0.000 0.425 409 P HA 0.285 nan 4.420 nan 0.000 0.252 409 P C -0.786 176.573 177.300 0.098 0.000 1.727 409 P CA 0.056 63.200 63.100 0.073 0.000 1.134 409 P CB -0.145 31.595 31.700 0.065 0.000 1.876 410 M N 0.039 119.703 119.600 0.107 0.000 2.644 410 M HA 0.501 4.981 4.480 -0.001 0.000 0.273 410 M C -1.479 174.910 176.300 0.148 0.000 1.253 410 M CA -0.806 54.591 55.300 0.162 0.000 0.852 410 M CB 2.110 34.842 32.600 0.221 0.000 1.708 410 M HN -0.265 nan 8.290 nan 0.000 0.471 411 N N 2.047 120.861 118.700 0.191 0.000 2.564 411 N HA 0.309 5.049 4.740 -0.001 0.000 0.248 411 N C -2.343 173.281 175.510 0.189 0.000 0.986 411 N CA -1.270 51.855 53.050 0.125 0.000 0.921 411 N CB 1.650 40.162 38.487 0.042 0.000 1.136 411 N HN 0.514 nan 8.380 nan 0.000 0.509 412 P HA -0.111 nan 4.420 nan 0.000 0.220 412 P C 0.819 178.238 177.300 0.198 0.000 1.148 412 P CA 1.131 64.398 63.100 0.279 0.000 0.803 412 P CB 0.589 32.392 31.700 0.171 0.000 0.782 413 E N 0.123 120.369 120.200 0.076 0.000 2.409 413 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 413 E C 1.826 178.387 176.600 -0.065 0.000 1.024 413 E CA 0.728 57.142 56.400 0.023 0.000 0.861 413 E CB -0.285 29.422 29.700 0.011 0.000 0.788 413 E HN 0.541 nan 8.360 nan 0.000 0.521 414 Q N -0.510 119.151 119.800 -0.231 0.000 2.435 414 Q HA -0.026 4.314 4.340 -0.001 0.000 0.207 414 Q C -0.184 175.473 176.000 -0.571 0.000 0.956 414 Q CA 0.558 56.069 55.803 -0.486 0.000 0.917 414 Q CB 0.219 28.511 28.738 -0.744 0.000 0.997 414 Q HN 0.238 nan 8.270 nan 0.000 0.497 415 Y N 0.317 120.658 120.300 0.068 0.000 2.562 415 Y HA 0.331 4.881 4.550 -0.001 0.000 0.343 415 Y C -0.062 175.856 175.900 0.030 0.000 1.025 415 Y CA -1.255 56.880 58.100 0.057 0.000 1.082 415 Y CB 1.292 39.800 38.460 0.080 0.000 1.264 415 Y HN -0.111 nan 8.280 nan 0.000 0.478 416 Q N -0.306 119.558 119.800 0.106 0.000 2.456 416 Q HA 0.865 5.205 4.340 -0.001 0.000 0.283 416 Q C -2.199 173.751 176.000 -0.083 0.000 1.084 416 Q CA -1.199 54.614 55.803 0.017 0.000 0.801 416 Q CB 2.559 31.296 28.738 -0.002 0.000 1.434 416 Q HN 0.444 nan 8.270 nan 0.000 0.419 417 V N 1.657 121.586 119.914 0.025 0.000 2.444 417 V HA 0.357 4.477 4.120 -0.001 0.000 0.294 417 V C -0.705 175.461 176.094 0.119 0.000 1.022 417 V CA -0.623 61.716 62.300 0.065 0.000 0.850 417 V CB 1.401 33.337 31.823 0.188 0.000 0.992 417 V HN 0.791 nan 8.190 nan 0.000 0.426 418 E N 3.446 123.718 120.200 0.121 0.000 2.214 418 E HA 0.525 4.875 4.350 -0.001 0.000 0.274 418 E C -0.790 175.913 176.600 0.173 0.000 0.977 418 E CA -0.672 55.830 56.400 0.170 0.000 0.827 418 E CB 2.431 32.259 29.700 0.213 0.000 1.130 418 E HN 0.649 nan 8.360 nan 0.000 0.394 419 Q N 2.295 122.160 119.800 0.108 0.000 2.331 419 Q HA 0.432 4.771 4.340 -0.001 0.000 0.267 419 Q C -1.087 174.756 176.000 -0.261 0.000 1.006 419 Q CA -0.693 55.038 55.803 -0.120 0.000 0.818 419 Q CB 1.578 30.238 28.738 -0.130 0.000 1.276 419 Q HN 0.484 nan 8.270 nan 0.000 0.450 420 V N 0.537 120.167 119.914 -0.474 0.000 3.113 420 V HA 0.771 4.891 4.120 -0.001 0.000 0.316 420 V C -1.319 174.236 176.094 -0.897 0.000 1.125 420 V CA -0.842 61.201 62.300 -0.428 0.000 1.026 420 V CB 1.823 33.583 31.823 -0.106 0.000 1.080 420 V HN 0.680 nan 8.190 nan 0.000 0.444 421 F N 2.462 122.375 119.950 -0.063 0.000 2.536 421 F HA 0.772 5.298 4.527 -0.001 0.000 0.322 421 F C -0.538 175.214 175.800 -0.079 0.000 1.144 421 F CA -0.586 57.351 58.000 -0.105 0.000 0.924 421 F CB 1.746 40.709 39.000 -0.061 0.000 1.181 421 F HN 0.792 nan 8.300 nan 0.000 0.438 422 Y N 0.785 121.064 120.300 -0.035 0.000 2.536 422 Y HA 0.918 5.468 4.550 -0.001 0.000 0.347 422 Y C -0.793 175.157 175.900 0.082 0.000 1.000 422 Y CA -2.148 55.937 58.100 -0.025 0.000 1.051 422 Y CB 1.095 39.415 38.460 -0.234 0.000 1.259 422 Y HN 0.723 nan 8.280 nan 0.000 0.468 423 A N 2.433 125.395 122.820 0.238 0.000 2.320 423 A HA 0.519 4.838 4.320 -0.001 0.000 0.287 423 A C 0.288 178.015 177.584 0.238 0.000 1.181 423 A CA -0.330 51.799 52.037 0.153 0.000 0.831 423 A CB 0.349 19.431 19.000 0.136 0.000 1.102 423 A HN 0.850 nan 8.150 nan 0.000 0.513 424 S N 0.900 116.684 115.700 0.141 0.000 2.634 424 S HA 0.145 4.614 4.470 -0.001 0.000 0.261 424 S C 1.603 176.275 174.600 0.121 0.000 1.271 424 S CA -0.068 58.234 58.200 0.169 0.000 0.985 424 S CB 0.639 63.894 63.200 0.090 0.000 0.968 424 S HN 0.791 nan 8.310 nan 0.000 0.568 425 K N 0.524 120.991 120.400 0.111 0.000 2.077 425 K HA -0.218 4.102 4.320 -0.001 0.000 0.213 425 K C 1.015 177.645 176.600 0.050 0.000 1.051 425 K CA 2.343 58.676 56.287 0.078 0.000 0.929 425 K CB -0.434 32.109 32.500 0.073 0.000 0.715 425 K HN 0.780 nan 8.250 nan 0.000 0.451 426 D N -2.036 118.383 120.400 0.032 0.000 2.328 426 D HA 0.054 4.693 4.640 -0.001 0.000 0.226 426 D C 1.017 177.326 176.300 0.015 0.000 1.066 426 D CA 0.816 54.825 54.000 0.014 0.000 0.861 426 D CB 0.447 41.242 40.800 -0.007 0.000 0.912 426 D HN 0.476 nan 8.370 nan 0.000 0.521 427 G N -0.625 108.193 108.800 0.030 0.000 2.213 427 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.236 427 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.236 427 G C 0.490 175.403 174.900 0.022 0.000 0.991 427 G CA 0.132 45.249 45.100 0.029 0.000 0.629 427 G HN 0.445 nan 8.290 nan 0.000 0.517 428 T N 3.257 117.819 114.554 0.014 0.000 2.934 428 T HA 0.387 4.736 4.350 -0.001 0.000 0.306 428 T C 0.358 175.072 174.700 0.024 0.000 1.042 428 T CA 0.344 62.457 62.100 0.023 0.000 1.145 428 T CB 0.808 69.672 68.868 -0.007 0.000 0.982 428 T HN 0.193 nan 8.240 nan 0.000 0.544 429 K N 3.581 124.003 120.400 0.037 0.000 2.284 429 K HA 0.379 4.698 4.320 -0.001 0.000 0.287 429 K C -0.607 176.043 176.600 0.083 0.000 1.081 429 K CA -0.383 55.910 56.287 0.010 0.000 0.910 429 K CB 0.932 33.421 32.500 -0.019 0.000 1.088 429 K HN 0.297 nan 8.250 nan 0.000 0.478 430 V N 5.812 125.635 119.914 -0.153 0.000 2.398 430 V HA 0.289 4.408 4.120 -0.001 0.000 0.286 430 V C -2.158 173.805 176.094 -0.218 0.000 1.026 430 V CA -2.195 60.027 62.300 -0.131 0.000 0.868 430 V CB 1.607 33.095 31.823 -0.558 0.000 0.982 430 V HN 0.546 nan 8.190 nan 0.000 0.443 431 P HA 0.486 nan 4.420 nan 0.000 0.277 431 P C -0.758 176.380 177.300 -0.270 0.000 1.240 431 P CA -0.573 62.361 63.100 -0.276 0.000 0.798 431 P CB 0.783 32.343 31.700 -0.234 0.000 0.979 432 M N 1.790 121.128 119.600 -0.436 0.000 2.365 432 M HA 0.474 4.954 4.480 -0.001 0.000 0.287 432 M C -1.827 174.244 176.300 -0.382 0.000 1.154 432 M CA -0.636 54.504 55.300 -0.266 0.000 0.941 432 M CB 1.266 33.836 32.600 -0.050 0.000 1.704 432 M HN 0.001 nan 8.290 nan 0.000 0.479 433 F N 3.468 123.381 119.950 -0.062 0.000 2.394 433 F HA 0.640 5.167 4.527 -0.000 0.000 0.340 433 F C -0.239 175.454 175.800 -0.177 0.000 1.105 433 F CA -0.490 57.462 58.000 -0.080 0.000 1.124 433 F CB 1.518 40.527 39.000 0.016 0.000 1.145 433 F HN 0.213 nan 8.300 nan 0.000 0.505 434 V N 4.109 124.045 119.914 0.037 0.000 2.483 434 V HA 0.537 4.657 4.120 -0.001 0.000 0.297 434 V C -0.737 175.341 176.094 -0.027 0.000 1.027 434 V CA -0.804 61.469 62.300 -0.044 0.000 0.855 434 V CB 1.742 33.514 31.823 -0.085 0.000 0.995 434 V HN 0.499 nan 8.190 nan 0.000 0.424 435 V N 5.303 125.192 119.914 -0.042 0.000 2.540 435 V HA 0.815 4.935 4.120 -0.001 0.000 0.302 435 V C -0.539 175.629 176.094 0.122 0.000 1.035 435 V CA -0.458 61.800 62.300 -0.070 0.000 0.873 435 V CB 1.667 33.401 31.823 -0.148 0.000 0.992 435 V HN 1.231 nan 8.190 nan 0.000 0.428 436 H N 1.695 120.877 119.070 0.187 0.000 2.950 436 H HA 0.634 5.190 4.556 -0.001 0.000 0.307 436 H C -0.665 174.833 175.328 0.284 0.000 1.403 436 H CA -1.198 54.984 56.048 0.223 0.000 1.145 436 H CB 0.829 30.710 29.762 0.199 0.000 1.844 436 H HN 0.429 nan 8.280 nan 0.000 0.515 437 R N 0.876 121.638 120.500 0.438 0.000 2.640 437 R HA 0.065 4.404 4.340 -0.001 0.000 0.270 437 R C 0.676 177.158 176.300 0.303 0.000 1.024 437 R CA -0.084 56.182 56.100 0.277 0.000 1.085 437 R CB 0.538 30.926 30.300 0.147 0.000 0.963 437 R HN 0.688 nan 8.270 nan 0.000 0.426 438 K N 1.363 121.848 120.400 0.141 0.000 2.152 438 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 438 K C 0.893 177.572 176.600 0.131 0.000 1.048 438 K CA 1.798 58.175 56.287 0.150 0.000 0.933 438 K CB -0.004 32.532 32.500 0.061 0.000 0.721 438 K HN 0.627 nan 8.250 nan 0.000 0.447 439 D N 0.583 121.028 120.400 0.075 0.000 2.319 439 D HA -0.039 4.600 4.640 -0.001 0.000 0.230 439 D C 0.293 176.612 176.300 0.032 0.000 1.094 439 D CA -0.286 53.737 54.000 0.039 0.000 0.856 439 D CB -0.383 40.420 40.800 0.004 0.000 0.915 439 D HN -0.046 nan 8.370 nan 0.000 0.517 440 L N 1.059 122.321 121.223 0.064 0.000 2.578 440 L HA 0.062 4.402 4.340 -0.001 0.000 0.279 440 L C -0.055 176.783 176.870 -0.053 0.000 1.227 440 L CA 0.282 55.120 54.840 -0.003 0.000 0.900 440 L CB 0.244 42.261 42.059 -0.070 0.000 1.144 440 L HN -0.107 nan 8.230 nan 0.000 0.496 441 K N 5.783 126.148 120.400 -0.059 0.000 2.297 441 K HA 0.290 4.609 4.320 -0.001 0.000 0.286 441 K C -0.279 176.256 176.600 -0.109 0.000 1.053 441 K CA -0.523 55.720 56.287 -0.073 0.000 0.940 441 K CB 0.585 33.050 32.500 -0.059 0.000 1.019 441 K HN 0.385 nan 8.250 nan 0.000 0.475 442 R N 3.422 123.838 120.500 -0.140 0.000 3.701 442 R HA -0.009 4.331 4.340 -0.001 0.000 0.210 442 R C -0.253 175.956 176.300 -0.150 0.000 1.598 442 R CA 0.083 56.062 56.100 -0.201 0.000 1.427 442 R CB -0.377 29.766 30.300 -0.262 0.000 1.339 442 R HN 0.757 nan 8.270 nan 0.000 0.720 443 D N -0.865 119.467 120.400 -0.113 0.000 2.479 443 D HA 0.060 4.700 4.640 -0.001 0.000 0.218 443 D C 0.976 177.234 176.300 -0.070 0.000 1.177 443 D CA -0.013 53.937 54.000 -0.083 0.000 0.830 443 D CB 0.401 41.163 40.800 -0.065 0.000 1.014 443 D HN 0.380 nan 8.370 nan 0.000 0.503 444 G N 1.068 109.822 108.800 -0.076 0.000 2.179 444 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.257 444 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.257 444 G C 0.600 175.486 174.900 -0.023 0.000 1.010 444 G CA 0.517 45.587 45.100 -0.050 0.000 0.736 444 G HN 0.532 nan 8.290 nan 0.000 0.513 445 N N -0.695 117.994 118.700 -0.020 0.000 2.142 445 N HA 0.471 5.211 4.740 -0.001 0.000 0.233 445 N C 0.854 176.359 175.510 -0.008 0.000 1.335 445 N CA 0.889 53.931 53.050 -0.012 0.000 0.837 445 N CB 0.335 38.806 38.487 -0.026 0.000 1.238 445 N HN 0.819 nan 8.380 nan 0.000 0.501 446 A N 1.339 124.162 122.820 0.005 0.000 2.477 446 A HA 0.425 4.745 4.320 -0.001 0.000 0.246 446 A C -2.309 175.290 177.584 0.024 0.000 1.078 446 A CA -0.799 51.234 52.037 -0.007 0.000 0.770 446 A CB -0.180 18.833 19.000 0.021 0.000 1.011 446 A HN 0.154 nan 8.150 nan 0.000 0.494 447 P HA 0.232 nan 4.420 nan 0.000 0.267 447 P C -0.439 177.015 177.300 0.257 0.000 1.205 447 P CA 0.426 63.563 63.100 0.061 0.000 0.765 447 P CB 0.727 32.314 31.700 -0.188 0.000 0.828 448 T N 3.838 118.684 114.554 0.486 0.000 2.886 448 T HA 0.486 4.835 4.350 -0.001 0.000 0.292 448 T C -0.879 174.132 174.700 0.518 0.000 1.012 448 T CA -0.365 62.038 62.100 0.505 0.000 0.982 448 T CB 0.961 69.988 68.868 0.265 0.000 1.018 448 T HN 0.138 nan 8.240 nan 0.000 0.451 449 L N 4.393 125.901 121.223 0.475 0.000 2.319 449 L HA 0.734 5.074 4.340 -0.001 0.000 0.281 449 L C -1.438 175.525 176.870 0.156 0.000 1.005 449 L CA -0.912 54.048 54.840 0.200 0.000 0.828 449 L CB 1.141 43.157 42.059 -0.071 0.000 1.227 449 L HN 0.563 nan 8.230 nan 0.000 0.415 450 L N 6.013 127.321 121.223 0.141 0.000 2.305 450 L HA 0.526 4.865 4.340 -0.001 0.000 0.284 450 L C -1.630 175.425 176.870 0.309 0.000 1.013 450 L CA -0.209 54.691 54.840 0.101 0.000 0.819 450 L CB 1.166 43.217 42.059 -0.014 0.000 1.227 450 L HN 0.610 nan 8.230 nan 0.000 0.417 451 Y N 4.374 124.737 120.300 0.105 0.000 2.409 451 Y HA 0.853 5.402 4.550 -0.001 0.000 0.339 451 Y C 0.041 176.060 175.900 0.198 0.000 1.033 451 Y CA -0.351 57.835 58.100 0.143 0.000 1.094 451 Y CB 1.902 40.395 38.460 0.054 0.000 1.210 451 Y HN 0.770 nan 8.280 nan 0.000 0.456 452 G N 3.225 111.777 108.800 -0.412 0.000 2.649 452 G HA2 0.326 4.285 3.960 -0.001 0.000 0.290 452 G HA3 0.326 4.285 3.960 -0.001 0.000 0.290 452 G C -1.967 172.558 174.900 -0.625 0.000 1.426 452 G CA -0.411 44.388 45.100 -0.503 0.000 0.794 452 G HN 0.623 nan 8.290 nan 0.000 0.483 453 Y N -0.298 119.681 120.300 -0.535 0.000 3.284 453 Y HA 0.466 5.016 4.550 -0.001 0.000 0.165 453 Y C 1.389 177.115 175.900 -0.289 0.000 0.881 453 Y CA 1.536 59.392 58.100 -0.408 0.000 1.837 453 Y CB 0.554 38.811 38.460 -0.339 0.000 1.398 453 Y HN 1.752 nan 8.280 nan 0.000 0.336 454 G N 1.088 109.830 108.800 -0.098 0.000 2.734 454 G HA2 0.376 4.336 3.960 -0.001 0.000 0.277 454 G HA3 0.376 4.336 3.960 -0.001 0.000 0.277 454 G C -0.043 174.698 174.900 -0.265 0.000 1.099 454 G CA 0.377 45.367 45.100 -0.184 0.000 1.218 454 G HN 1.407 nan 8.290 nan 0.000 0.554 455 G N -1.050 107.685 108.800 -0.109 0.000 2.328 455 G HA2 0.617 4.577 3.960 -0.001 0.000 0.299 455 G HA3 0.617 4.577 3.960 -0.001 0.000 0.299 455 G C -0.020 174.883 174.900 0.004 0.000 1.435 455 G CA 0.183 45.171 45.100 -0.187 0.000 0.865 455 G HN 1.533 nan 8.290 nan 0.000 0.601 456 F N -0.379 119.386 119.950 -0.309 0.000 3.057 456 F HA -0.243 4.284 4.527 -0.001 0.000 0.287 456 F C 1.324 176.800 175.800 -0.539 0.000 0.834 456 F CA 1.201 58.842 58.000 -0.597 0.000 1.147 456 F CB -1.502 36.973 39.000 -0.875 0.000 1.245 456 F HN 1.057 nan 8.300 nan 0.000 0.509 457 N N -0.993 117.371 118.700 -0.561 0.000 2.708 457 N HA -0.196 4.544 4.740 -0.001 0.000 0.251 457 N C -0.420 175.036 175.510 -0.090 0.000 1.123 457 N CA 0.966 53.787 53.050 -0.383 0.000 0.739 457 N CB -0.749 37.513 38.487 -0.376 0.000 1.113 457 N HN 0.277 nan 8.380 nan 0.000 0.561 458 V N 0.998 120.898 119.914 -0.024 0.000 2.546 458 V HA 0.292 4.412 4.120 -0.001 0.000 0.284 458 V C 0.471 176.564 176.094 -0.002 0.000 1.050 458 V CA -0.627 61.654 62.300 -0.032 0.000 0.981 458 V CB 1.429 33.180 31.823 -0.121 0.000 0.990 458 V HN 0.218 nan 8.190 nan 0.000 0.474 459 N N 4.647 123.332 118.700 -0.025 0.000 2.430 459 N HA 0.438 5.178 4.740 -0.001 0.000 0.292 459 N C -0.639 174.875 175.510 0.006 0.000 1.051 459 N CA -0.629 52.423 53.050 0.004 0.000 0.917 459 N CB 1.644 40.123 38.487 -0.013 0.000 1.164 459 N HN 0.448 nan 8.380 nan 0.000 0.484 460 M N 1.825 121.464 119.600 0.065 0.000 2.077 460 M HA 0.260 4.740 4.480 -0.001 0.000 0.348 460 M C 0.350 176.764 176.300 0.191 0.000 1.252 460 M CA 0.094 55.467 55.300 0.121 0.000 1.096 460 M CB -0.165 32.539 32.600 0.173 0.000 1.568 460 M HN 0.347 nan 8.290 nan 0.000 0.456 461 E N 1.344 121.590 120.200 0.078 0.000 2.264 461 E HA 0.626 4.976 4.350 -0.001 0.000 0.260 461 E C -0.254 176.164 176.600 -0.303 0.000 0.961 461 E CA -0.751 55.631 56.400 -0.030 0.000 0.834 461 E CB 1.553 31.204 29.700 -0.082 0.000 1.230 461 E HN 0.675 nan 8.360 nan 0.000 0.412 462 A N 2.426 124.876 122.820 -0.616 0.000 3.051 462 A HA 0.062 4.381 4.320 -0.001 0.000 0.257 462 A C -0.236 176.773 177.584 -0.959 0.000 1.785 462 A CA -0.245 51.016 52.037 -1.293 0.000 1.420 462 A CB -0.942 17.432 19.000 -1.043 0.000 1.063 462 A HN 0.357 nan 8.150 nan 0.000 0.630 463 N N 0.531 118.818 118.700 -0.689 0.000 2.530 463 N HA 0.166 4.905 4.740 -0.001 0.000 0.273 463 N C -0.448 174.847 175.510 -0.357 0.000 1.173 463 N CA -0.061 52.752 53.050 -0.394 0.000 0.967 463 N CB 0.656 39.008 38.487 -0.225 0.000 1.109 463 N HN 0.459 nan 8.380 nan 0.000 0.453 464 F N 2.390 122.149 119.950 -0.318 0.000 2.538 464 F HA 0.092 4.618 4.527 -0.001 0.000 0.371 464 F C 0.374 176.098 175.800 -0.128 0.000 1.087 464 F CA 0.026 57.912 58.000 -0.189 0.000 1.250 464 F CB 0.370 39.288 39.000 -0.135 0.000 1.110 464 F HN 0.248 nan 8.300 nan 0.000 0.570 465 R N 4.246 124.222 120.500 -0.873 0.000 2.435 465 R HA 0.173 4.513 4.340 -0.001 0.000 0.308 465 R C 0.870 176.551 176.300 -1.031 0.000 0.975 465 R CA 0.076 55.722 56.100 -0.757 0.000 0.867 465 R CB 1.530 31.577 30.300 -0.422 0.000 1.171 465 R HN 0.815 nan 8.270 nan 0.000 0.470 466 S N 0.473 115.641 115.700 -0.887 0.000 2.447 466 S HA -0.167 4.303 4.470 -0.001 0.000 0.233 466 S C 1.774 176.374 174.600 0.000 0.000 1.006 466 S CA 1.349 59.332 58.200 -0.362 0.000 0.957 466 S CB -0.019 63.253 63.200 0.120 0.000 0.773 466 S HN 0.606 nan 8.310 nan 0.000 0.507 467 S N 2.765 118.468 115.700 0.004 0.000 2.447 467 S HA -0.018 4.452 4.470 -0.001 0.000 0.233 467 S C 1.826 176.424 174.600 -0.002 0.000 1.006 467 S CA 0.776 59.074 58.200 0.163 0.000 0.957 467 S CB -1.078 62.133 63.200 0.018 0.000 0.773 467 S HN 0.891 nan 8.310 nan 0.000 0.507 468 I N -1.684 118.765 120.570 -0.201 0.000 3.578 468 I HA 0.205 4.375 4.170 -0.001 0.000 0.295 468 I C 1.807 177.837 176.117 -0.146 0.000 1.280 468 I CA 0.168 61.310 61.300 -0.264 0.000 1.347 468 I CB -0.368 37.338 38.000 -0.490 0.000 1.051 468 I HN 0.152 nan 8.210 nan 0.000 0.460 469 L N 1.352 122.504 121.223 -0.119 0.000 2.017 469 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 469 L C -0.030 176.819 176.870 -0.034 0.000 1.073 469 L CA 1.627 56.410 54.840 -0.095 0.000 0.745 469 L CB -2.090 39.940 42.059 -0.048 0.000 0.894 469 L HN 0.237 nan 8.230 nan 0.000 0.432 470 P HA -0.238 nan 4.420 nan 0.000 0.216 470 P C 1.407 178.761 177.300 0.090 0.000 1.150 470 P CA 1.483 64.532 63.100 -0.085 0.000 0.837 470 P CB -0.171 31.334 31.700 -0.324 0.000 0.786 471 W N 0.561 121.749 121.300 -0.187 0.000 2.333 471 W HA -0.177 4.482 4.660 -0.001 0.000 0.316 471 W C 1.676 178.246 176.519 0.085 0.000 1.215 471 W CA 1.252 58.590 57.345 -0.012 0.000 1.278 471 W CB -0.752 28.664 29.460 -0.073 0.000 1.154 471 W HN -0.149 nan 8.180 nan 0.000 0.486 472 L N 0.378 121.709 121.223 0.180 0.000 2.042 472 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 472 L C 2.034 178.987 176.870 0.139 0.000 1.076 472 L CA 1.587 56.515 54.840 0.146 0.000 0.749 472 L CB -1.122 41.035 42.059 0.163 0.000 0.893 472 L HN -0.138 nan 8.230 nan 0.000 0.432 473 D N 0.306 120.789 120.400 0.137 0.000 2.269 473 D HA -0.062 4.578 4.640 -0.001 0.000 0.208 473 D C 1.948 178.253 176.300 0.008 0.000 0.963 473 D CA 1.148 55.212 54.000 0.106 0.000 0.864 473 D CB 0.128 40.987 40.800 0.098 0.000 0.936 473 D HN 0.286 nan 8.370 nan 0.000 0.505 474 A N -0.276 122.523 122.820 -0.036 0.000 2.259 474 A HA 0.428 4.747 4.320 -0.001 0.000 0.208 474 A C 1.645 179.116 177.584 -0.188 0.000 1.201 474 A CA 0.822 52.783 52.037 -0.127 0.000 0.824 474 A CB -0.283 18.641 19.000 -0.128 0.000 0.838 474 A HN 0.206 nan 8.150 nan 0.000 0.485 475 G N -1.778 106.938 108.800 -0.139 0.000 2.132 475 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.234 475 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.234 475 G C 0.624 175.393 174.900 -0.218 0.000 0.989 475 G CA 0.206 45.226 45.100 -0.134 0.000 0.676 475 G HN 1.345 nan 8.290 nan 0.000 0.522 476 G N -1.263 107.294 108.800 -0.405 0.000 2.504 476 G HA2 0.656 4.615 3.960 -0.001 0.000 0.288 476 G HA3 0.656 4.615 3.960 -0.001 0.000 0.288 476 G C -0.215 174.643 174.900 -0.071 0.000 1.182 476 G CA 0.001 44.711 45.100 -0.650 0.000 0.894 476 G HN 0.936 nan 8.290 nan 0.000 0.521 477 V N 0.801 120.827 119.914 0.187 0.000 2.513 477 V HA 0.382 4.501 4.120 -0.001 0.000 0.299 477 V C -1.133 175.304 176.094 0.572 0.000 1.035 477 V CA -0.723 61.788 62.300 0.351 0.000 0.889 477 V CB 1.471 33.431 31.823 0.228 0.000 0.988 477 V HN 0.663 nan 8.190 nan 0.000 0.440 478 Y N 3.850 124.324 120.300 0.290 0.000 2.328 478 Y HA 0.772 5.322 4.550 -0.001 0.000 0.336 478 Y C -0.066 175.864 175.900 0.049 0.000 0.960 478 Y CA -0.749 57.468 58.100 0.195 0.000 1.134 478 Y CB 1.432 39.971 38.460 0.131 0.000 1.166 478 Y HN 0.750 nan 8.280 nan 0.000 0.464 479 A N 5.078 127.655 122.820 -0.405 0.000 2.386 479 A HA 0.839 5.159 4.320 -0.001 0.000 0.311 479 A C -1.886 175.477 177.584 -0.368 0.000 1.068 479 A CA -0.706 51.139 52.037 -0.320 0.000 0.743 479 A CB 1.410 20.313 19.000 -0.161 0.000 1.258 479 A HN 0.554 nan 8.150 nan 0.000 0.429 480 V N 1.559 121.390 119.914 -0.139 0.000 2.447 480 V HA 0.633 4.753 4.120 -0.001 0.000 0.292 480 V C 0.316 176.503 176.094 0.156 0.000 1.021 480 V CA -0.403 61.946 62.300 0.082 0.000 0.850 480 V CB 1.248 33.246 31.823 0.291 0.000 1.005 480 V HN 1.263 nan 8.190 nan 0.000 0.426 481 A N 3.459 126.378 122.820 0.165 0.000 2.301 481 A HA 0.594 4.914 4.320 -0.001 0.000 0.298 481 A C 0.196 177.887 177.584 0.178 0.000 1.185 481 A CA -0.509 51.646 52.037 0.196 0.000 0.830 481 A CB 0.055 19.243 19.000 0.314 0.000 1.112 481 A HN 0.885 nan 8.150 nan 0.000 0.508 482 N N 2.191 120.982 118.700 0.152 0.000 3.245 482 N HA 0.309 5.049 4.740 -0.001 0.000 0.296 482 N C -0.479 175.253 175.510 0.371 0.000 1.254 482 N CA -0.101 53.065 53.050 0.194 0.000 1.190 482 N CB -0.102 38.423 38.487 0.063 0.000 1.460 482 N HN 0.654 nan 8.380 nan 0.000 0.538 483 L N 0.386 121.756 121.223 0.245 0.000 2.499 483 L HA 0.082 4.421 4.340 -0.001 0.000 0.281 483 L C 1.321 178.178 176.870 -0.021 0.000 1.234 483 L CA -0.132 54.783 54.840 0.126 0.000 0.839 483 L CB 0.357 42.422 42.059 0.010 0.000 1.104 483 L HN 0.302 nan 8.230 nan 0.000 0.500 484 R N 0.646 120.838 120.500 -0.515 0.000 2.861 484 R HA 0.144 4.484 4.340 -0.001 0.000 0.268 484 R C 1.202 177.230 176.300 -0.455 0.000 1.027 484 R CA 0.866 56.381 56.100 -0.975 0.000 1.163 484 R CB -0.023 29.676 30.300 -1.002 0.000 1.060 484 R HN 0.944 nan 8.270 nan 0.000 0.483 485 G N -0.060 108.532 108.800 -0.346 0.000 2.336 485 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.233 485 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.233 485 G C 0.563 175.478 174.900 0.025 0.000 1.053 485 G CA -0.070 44.946 45.100 -0.139 0.000 0.625 485 G HN 0.896 nan 8.290 nan 0.000 0.511 486 G N -0.340 108.510 108.800 0.084 0.000 2.611 486 G HA2 0.543 4.502 3.960 -0.001 0.000 0.273 486 G HA3 0.543 4.502 3.960 -0.001 0.000 0.273 486 G C 1.071 176.145 174.900 0.289 0.000 1.305 486 G CA 0.309 45.524 45.100 0.192 0.000 1.010 486 G HN 1.361 nan 8.290 nan 0.000 0.509 487 G N -1.498 107.406 108.800 0.175 0.000 3.337 487 G HA2 0.260 4.220 3.960 -0.001 0.000 0.246 487 G HA3 0.260 4.220 3.960 -0.001 0.000 0.246 487 G C 0.999 175.929 174.900 0.051 0.000 1.131 487 G CA 0.153 45.332 45.100 0.131 0.000 0.773 487 G HN 0.538 nan 8.290 nan 0.000 0.544 488 E N 0.098 120.270 120.200 -0.047 0.000 2.110 488 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 488 E C 0.557 176.774 176.600 -0.639 0.000 0.988 488 E CA 1.045 57.191 56.400 -0.425 0.000 0.804 488 E CB -0.133 29.199 29.700 -0.614 0.000 0.745 488 E HN 0.558 nan 8.360 nan 0.000 0.458 489 Y N -0.332 119.678 120.300 -0.484 0.000 2.708 489 Y HA 0.413 4.962 4.550 -0.001 0.000 0.287 489 Y C 0.916 176.804 175.900 -0.020 0.000 1.145 489 Y CA 0.124 58.030 58.100 -0.323 0.000 1.249 489 Y CB 0.595 38.701 38.460 -0.591 0.000 1.152 489 Y HN 0.101 nan 8.280 nan 0.000 0.532 490 G N 0.527 109.414 108.800 0.145 0.000 2.615 490 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.218 490 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.218 490 G C 0.911 175.947 174.900 0.226 0.000 1.339 490 G CA -0.022 45.171 45.100 0.156 0.000 0.884 490 G HN 0.286 nan 8.290 nan 0.000 0.559 491 K N 0.054 120.560 120.400 0.176 0.000 2.097 491 K HA 0.101 4.421 4.320 -0.001 0.000 0.206 491 K C 2.825 179.532 176.600 0.179 0.000 1.049 491 K CA 2.305 58.702 56.287 0.183 0.000 0.933 491 K CB -0.493 32.078 32.500 0.117 0.000 0.717 491 K HN 1.083 nan 8.250 nan 0.000 0.442 492 A N 0.925 123.852 122.820 0.178 0.000 1.969 492 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 492 A C 1.963 179.680 177.584 0.221 0.000 1.169 492 A CA 0.966 53.097 52.037 0.156 0.000 0.635 492 A CB -0.955 18.135 19.000 0.149 0.000 0.810 492 A HN 0.696 nan 8.150 nan 0.000 0.445 493 W N -0.336 121.014 121.300 0.084 0.000 2.379 493 W HA -0.171 4.489 4.660 -0.001 0.000 0.307 493 W C 2.238 178.809 176.519 0.087 0.000 1.200 493 W CA 1.705 59.108 57.345 0.096 0.000 1.297 493 W CB -0.449 29.104 29.460 0.156 0.000 1.140 493 W HN 0.713 nan 8.180 nan 0.000 0.507 494 H N -0.026 119.131 119.070 0.145 0.000 2.293 494 H HA -0.175 4.381 4.556 -0.001 0.000 0.300 494 H C 1.619 176.891 175.328 -0.092 0.000 1.082 494 H CA 1.835 57.883 56.048 -0.001 0.000 1.308 494 H CB -0.166 29.623 29.762 0.044 0.000 1.375 494 H HN -0.063 nan 8.280 nan 0.000 0.495 495 D N 0.541 120.846 120.400 -0.158 0.000 2.178 495 D HA -0.061 4.579 4.640 -0.001 0.000 0.202 495 D C 1.867 178.040 176.300 -0.213 0.000 0.974 495 D CA 0.996 54.838 54.000 -0.264 0.000 0.841 495 D CB -0.289 40.424 40.800 -0.145 0.000 0.953 495 D HN 0.471 nan 8.370 nan 0.000 0.478 496 A N 0.028 122.740 122.820 -0.181 0.000 2.235 496 A HA 0.289 4.609 4.320 -0.001 0.000 0.208 496 A C 1.678 179.084 177.584 -0.296 0.000 1.172 496 A CA 0.963 52.869 52.037 -0.218 0.000 0.786 496 A CB -0.088 18.780 19.000 -0.219 0.000 0.804 496 A HN 0.215 nan 8.150 nan 0.000 0.479 497 G N -0.006 108.606 108.800 -0.313 0.000 4.238 497 G HA2 0.435 4.395 3.960 -0.001 0.000 0.292 497 G HA3 0.435 4.395 3.960 -0.001 0.000 0.292 497 G C 0.132 174.823 174.900 -0.348 0.000 1.036 497 G CA -0.170 44.715 45.100 -0.359 0.000 0.812 497 G HN 0.619 nan 8.290 nan 0.000 0.489 498 R N -0.836 119.476 120.500 -0.312 0.000 2.817 498 R HA 0.782 5.121 4.340 -0.001 0.000 0.268 498 R C 0.117 176.306 176.300 -0.185 0.000 1.027 498 R CA -0.713 55.209 56.100 -0.296 0.000 0.928 498 R CB 0.852 30.916 30.300 -0.393 0.000 1.228 498 R HN 0.030 nan 8.270 nan 0.000 0.469 499 L N -0.882 120.282 121.223 -0.098 0.000 6.223 499 L HA -0.434 3.905 4.340 -0.001 0.000 0.053 499 L C 1.332 178.214 176.870 0.020 0.000 2.244 499 L CA 1.696 56.534 54.840 -0.004 0.000 1.647 499 L CB -1.119 40.922 42.059 -0.031 0.000 2.769 499 L HN 1.072 nan 8.230 nan 0.000 1.016 500 D N 0.008 120.409 120.400 0.001 0.000 2.348 500 D HA -0.113 4.527 4.640 -0.001 0.000 0.216 500 D C 1.144 177.425 176.300 -0.031 0.000 0.970 500 D CA 1.151 55.157 54.000 0.010 0.000 0.889 500 D CB -0.146 40.655 40.800 0.001 0.000 0.912 500 D HN 0.420 nan 8.370 nan 0.000 0.524 501 K N 0.449 120.794 120.400 -0.092 0.000 2.372 501 K HA 0.074 4.393 4.320 -0.001 0.000 0.200 501 K C 1.553 178.001 176.600 -0.253 0.000 1.022 501 K CA -0.182 56.014 56.287 -0.151 0.000 1.125 501 K CB 0.648 33.049 32.500 -0.165 0.000 0.855 501 K HN -0.005 nan 8.250 nan 0.000 0.524 502 K N 2.041 122.278 120.400 -0.272 0.000 2.152 502 K HA -0.209 4.110 4.320 -0.001 0.000 0.206 502 K C 1.992 178.076 176.600 -0.861 0.000 1.048 502 K CA 1.398 57.361 56.287 -0.541 0.000 0.933 502 K CB 0.019 32.219 32.500 -0.500 0.000 0.721 502 K HN -0.043 nan 8.250 nan 0.000 0.447 503 Q N 0.651 120.135 119.800 -0.527 0.000 2.234 503 Q HA -0.105 4.234 4.340 -0.001 0.000 0.206 503 Q C 1.272 177.068 176.000 -0.340 0.000 0.980 503 Q CA 1.650 57.221 55.803 -0.387 0.000 0.869 503 Q CB -0.324 28.383 28.738 -0.053 0.000 0.912 503 Q HN 0.376 nan 8.270 nan 0.000 0.436 504 N N -0.745 117.761 118.700 -0.324 0.000 2.205 504 N HA -0.130 4.610 4.740 -0.001 0.000 0.186 504 N C 1.554 176.885 175.510 -0.299 0.000 1.015 504 N CA 1.434 54.333 53.050 -0.252 0.000 0.862 504 N CB -0.278 38.054 38.487 -0.259 0.000 0.986 504 N HN 0.171 nan 8.380 nan 0.000 0.429 505 V N 0.943 120.557 119.914 -0.499 0.000 2.295 505 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 505 V C 1.898 177.850 176.094 -0.237 0.000 1.049 505 V CA 1.392 63.420 62.300 -0.453 0.000 1.024 505 V CB -0.704 30.724 31.823 -0.658 0.000 0.648 505 V HN 0.077 nan 8.190 nan 0.000 0.447 506 F N 0.716 120.550 119.950 -0.193 0.000 2.146 506 F HA -0.089 4.438 4.527 -0.001 0.000 0.298 506 F C 2.311 178.053 175.800 -0.097 0.000 1.096 506 F CA 0.892 58.772 58.000 -0.201 0.000 1.275 506 F CB -1.307 37.573 39.000 -0.200 0.000 1.008 506 F HN 0.215 nan 8.300 nan 0.000 0.480 507 D N 0.379 120.885 120.400 0.177 0.000 2.117 507 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 507 D C 1.790 178.222 176.300 0.220 0.000 0.987 507 D CA 1.463 55.610 54.000 0.244 0.000 0.829 507 D CB -0.499 40.385 40.800 0.140 0.000 0.961 507 D HN 0.202 nan 8.370 nan 0.000 0.460 508 D N -0.346 120.142 120.400 0.146 0.000 2.149 508 D HA -0.149 4.491 4.640 -0.001 0.000 0.198 508 D C 1.792 178.307 176.300 0.358 0.000 0.990 508 D CA 0.487 54.628 54.000 0.236 0.000 0.839 508 D CB -0.382 40.486 40.800 0.113 0.000 0.948 508 D HN 0.177 nan 8.370 nan 0.000 0.460 509 F N 1.255 121.251 119.950 0.078 0.000 2.163 509 F HA -0.122 4.405 4.527 -0.001 0.000 0.297 509 F C 2.414 178.271 175.800 0.095 0.000 1.094 509 F CA 1.213 59.240 58.000 0.045 0.000 1.290 509 F CB -0.263 38.708 39.000 -0.047 0.000 1.017 509 F HN 0.027 nan 8.300 nan 0.000 0.483 510 H N -0.214 119.011 119.070 0.258 0.000 2.353 510 H HA -0.145 4.411 4.556 -0.001 0.000 0.298 510 H C 2.332 177.670 175.328 0.017 0.000 1.103 510 H CA 1.487 57.622 56.048 0.145 0.000 1.293 510 H CB -1.052 28.806 29.762 0.161 0.000 1.372 510 H HN 0.352 nan 8.280 nan 0.000 0.501 511 A N 0.967 123.900 122.820 0.188 0.000 2.015 511 A HA 0.017 4.336 4.320 -0.001 0.000 0.219 511 A C 2.693 180.112 177.584 -0.274 0.000 1.163 511 A CA 1.360 53.449 52.037 0.087 0.000 0.646 511 A CB -0.589 18.587 19.000 0.295 0.000 0.806 511 A HN 0.441 nan 8.150 nan 0.000 0.448 512 A N 0.077 122.614 122.820 -0.471 0.000 1.873 512 A HA 0.188 4.507 4.320 -0.001 0.000 0.215 512 A C 2.508 179.886 177.584 -0.343 0.000 1.186 512 A CA 1.918 53.497 52.037 -0.764 0.000 0.616 512 A CB -1.043 17.681 19.000 -0.460 0.000 0.823 512 A HN 1.017 nan 8.150 nan 0.000 0.442 513 A N -0.068 122.601 122.820 -0.253 0.000 1.908 513 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 513 A C 1.911 179.427 177.584 -0.112 0.000 1.181 513 A CA 1.818 53.761 52.037 -0.156 0.000 0.627 513 A CB -0.585 18.341 19.000 -0.123 0.000 0.818 513 A HN 0.652 nan 8.150 nan 0.000 0.445 514 E N -1.831 118.314 120.200 -0.092 0.000 2.072 514 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 514 E C 1.867 178.455 176.600 -0.019 0.000 0.985 514 E CA 1.392 57.759 56.400 -0.055 0.000 0.801 514 E CB -0.322 29.366 29.700 -0.021 0.000 0.750 514 E HN 0.808 nan 8.360 nan 0.000 0.452 515 Y N 1.405 121.615 120.300 -0.150 0.000 2.181 515 Y HA -0.207 4.342 4.550 -0.001 0.000 0.288 515 Y C 1.903 177.796 175.900 -0.011 0.000 1.146 515 Y CA 1.381 59.423 58.100 -0.096 0.000 1.164 515 Y CB -0.117 38.210 38.460 -0.223 0.000 0.982 515 Y HN -0.055 nan 8.280 nan 0.000 0.515 516 L N -1.110 120.168 121.223 0.092 0.000 2.131 516 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 516 L C 2.244 179.164 176.870 0.083 0.000 1.092 516 L CA 0.921 55.838 54.840 0.128 0.000 0.759 516 L CB -0.571 41.529 42.059 0.068 0.000 0.903 516 L HN 0.163 nan 8.230 nan 0.000 0.435 517 V N -0.818 119.092 119.914 -0.007 0.000 2.346 517 V HA -0.242 3.877 4.120 -0.001 0.000 0.244 517 V C 2.365 178.411 176.094 -0.081 0.000 1.037 517 V CA 1.415 63.695 62.300 -0.033 0.000 1.029 517 V CB -0.456 31.339 31.823 -0.047 0.000 0.663 517 V HN 0.435 nan 8.190 nan 0.000 0.454 518 Q N -0.333 119.396 119.800 -0.118 0.000 2.112 518 Q HA -0.232 4.107 4.340 -0.001 0.000 0.206 518 Q C 2.010 177.888 176.000 -0.204 0.000 0.987 518 Q CA 1.415 57.130 55.803 -0.146 0.000 0.858 518 Q CB -0.139 28.511 28.738 -0.146 0.000 0.905 518 Q HN 0.520 nan 8.270 nan 0.000 0.420 519 Q N -0.037 119.582 119.800 -0.301 0.000 2.280 519 Q HA 0.023 4.362 4.340 -0.001 0.000 0.202 519 Q C -0.308 175.477 176.000 -0.358 0.000 0.903 519 Q CA 0.256 55.852 55.803 -0.344 0.000 0.948 519 Q CB 0.788 29.244 28.738 -0.471 0.000 1.058 519 Q HN 0.218 nan 8.270 nan 0.000 0.493 520 K N -1.185 119.078 120.400 -0.229 0.000 3.230 520 K HA -0.218 4.101 4.320 -0.001 0.000 0.285 520 K C 0.420 176.865 176.600 -0.257 0.000 1.196 520 K CA 0.648 56.808 56.287 -0.212 0.000 0.838 520 K CB -2.502 29.868 32.500 -0.216 0.000 1.262 520 K HN 0.335 nan 8.250 nan 0.000 0.492 521 Y N -0.045 120.204 120.300 -0.085 0.000 2.220 521 Y HA -0.026 4.523 4.550 -0.001 0.000 0.291 521 Y C 1.947 177.825 175.900 -0.037 0.000 1.129 521 Y CA 1.557 59.622 58.100 -0.058 0.000 1.161 521 Y CB 0.356 38.805 38.460 -0.017 0.000 0.997 521 Y HN 0.266 nan 8.280 nan 0.000 0.522 522 T N -1.524 113.099 114.554 0.114 0.000 2.648 522 T HA 0.450 4.799 4.350 -0.001 0.000 0.304 522 T C -1.949 172.769 174.700 0.030 0.000 1.312 522 T CA -0.883 61.263 62.100 0.077 0.000 1.023 522 T CB 1.477 70.416 68.868 0.119 0.000 1.612 522 T HN 0.159 nan 8.240 nan 0.000 0.487 523 Q N -0.052 119.763 119.800 0.025 0.000 2.456 523 Q HA 0.565 4.905 4.340 -0.001 0.000 0.283 523 Q C -2.548 173.456 176.000 0.006 0.000 1.084 523 Q CA -2.050 53.753 55.803 0.001 0.000 0.801 523 Q CB 1.891 30.625 28.738 -0.008 0.000 1.434 523 Q HN 0.200 nan 8.270 nan 0.000 0.419 524 P HA -0.289 nan 4.420 nan 0.000 0.216 524 P C 0.705 178.018 177.300 0.021 0.000 1.157 524 P CA 2.093 65.176 63.100 -0.029 0.000 0.880 524 P CB 0.060 31.720 31.700 -0.068 0.000 0.791 525 K N -1.119 119.292 120.400 0.020 0.000 2.504 525 K HA -0.018 4.301 4.320 -0.001 0.000 0.195 525 K C 1.299 177.929 176.600 0.051 0.000 1.036 525 K CA 0.860 57.167 56.287 0.034 0.000 0.984 525 K CB -0.085 32.425 32.500 0.017 0.000 0.788 525 K HN 0.006 nan 8.250 nan 0.000 0.488 526 R N 0.934 121.472 120.500 0.062 0.000 2.468 526 R HA 0.216 4.556 4.340 -0.001 0.000 0.280 526 R C -0.416 175.974 176.300 0.151 0.000 0.963 526 R CA -0.284 55.872 56.100 0.094 0.000 1.083 526 R CB 0.132 30.473 30.300 0.068 0.000 1.200 526 R HN 0.161 nan 8.270 nan 0.000 0.541 527 L N 0.713 122.023 121.223 0.144 0.000 2.313 527 L HA 0.626 4.965 4.340 -0.001 0.000 0.283 527 L C -0.856 176.141 176.870 0.212 0.000 1.013 527 L CA -0.754 54.195 54.840 0.182 0.000 0.816 527 L CB 1.648 43.792 42.059 0.141 0.000 1.236 527 L HN 0.036 nan 8.230 nan 0.000 0.419 528 A N 6.097 129.043 122.820 0.211 0.000 2.340 528 A HA 0.841 5.160 4.320 -0.001 0.000 0.331 528 A C -0.667 177.021 177.584 0.173 0.000 1.140 528 A CA -0.655 51.486 52.037 0.173 0.000 0.801 528 A CB 0.920 19.977 19.000 0.096 0.000 1.234 528 A HN 0.827 nan 8.150 nan 0.000 0.469 529 I N -1.261 119.406 120.570 0.162 0.000 2.603 529 I HA 0.793 4.963 4.170 -0.001 0.000 0.300 529 I C -1.204 175.075 176.117 0.269 0.000 1.017 529 I CA -0.881 60.547 61.300 0.213 0.000 1.098 529 I CB 1.905 39.991 38.000 0.143 0.000 1.279 529 I HN 0.617 nan 8.210 nan 0.000 0.437 530 Y N 3.191 123.598 120.300 0.179 0.000 2.457 530 Y HA 0.855 5.405 4.550 -0.001 0.000 0.343 530 Y C -0.591 175.427 175.900 0.196 0.000 0.994 530 Y CA -1.116 57.068 58.100 0.139 0.000 1.031 530 Y CB 2.115 40.638 38.460 0.105 0.000 1.246 530 Y HN 0.963 nan 8.280 nan 0.000 0.449 531 G N 1.581 110.376 108.800 -0.008 0.000 2.703 531 G HA2 0.557 4.517 3.960 -0.001 0.000 0.294 531 G HA3 0.557 4.517 3.960 -0.001 0.000 0.294 531 G C -1.610 173.167 174.900 -0.206 0.000 1.451 531 G CA -0.398 44.571 45.100 -0.219 0.000 0.869 531 G HN 1.028 nan 8.290 nan 0.000 0.516 532 G N -0.802 107.893 108.800 -0.175 0.000 2.542 532 G HA2 0.689 4.648 3.960 -0.001 0.000 0.311 532 G HA3 0.689 4.648 3.960 -0.001 0.000 0.311 532 G C 0.277 175.135 174.900 -0.069 0.000 1.298 532 G CA 0.925 45.951 45.100 -0.125 0.000 0.973 532 G HN 1.954 nan 8.290 nan 0.000 0.487 533 S N 1.104 116.756 115.700 -0.080 0.000 4.141 533 S HA -0.378 4.092 4.470 -0.001 0.000 0.622 533 S C 1.983 176.452 174.600 -0.219 0.000 1.894 533 S CA 2.024 60.190 58.200 -0.056 0.000 4.238 533 S CB -1.530 61.733 63.200 0.104 0.000 0.205 533 S HN 1.381 nan 8.310 nan 0.000 0.486 534 N N 1.290 119.794 118.700 -0.326 0.000 2.272 534 N HA 0.022 4.762 4.740 -0.001 0.000 0.185 534 N C 1.615 176.827 175.510 -0.496 0.000 1.014 534 N CA 2.413 55.194 53.050 -0.448 0.000 0.870 534 N CB -0.933 37.141 38.487 -0.688 0.000 0.975 534 N HN 0.642 nan 8.380 nan 0.000 0.433 535 G N -1.091 107.450 108.800 -0.432 0.000 2.484 535 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.218 535 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.218 535 G C 1.415 176.143 174.900 -0.287 0.000 1.130 535 G CA 0.517 45.414 45.100 -0.339 0.000 0.784 535 G HN 0.424 nan 8.290 nan 0.000 0.543 536 G N 1.073 109.732 108.800 -0.235 0.000 2.402 536 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.216 536 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.216 536 G C 1.705 176.427 174.900 -0.296 0.000 1.162 536 G CA 0.970 45.934 45.100 -0.227 0.000 0.777 536 G HN 0.395 nan 8.290 nan 0.000 0.539 537 L N 0.474 121.515 121.223 -0.304 0.000 2.012 537 L HA -0.042 4.298 4.340 -0.001 0.000 0.210 537 L C 2.541 179.193 176.870 -0.363 0.000 1.073 537 L CA 1.960 56.615 54.840 -0.308 0.000 0.748 537 L CB -0.692 41.224 42.059 -0.239 0.000 0.891 537 L HN 0.208 nan 8.230 nan 0.000 0.431 538 L N -0.445 120.581 121.223 -0.328 0.000 1.990 538 L HA -0.166 4.174 4.340 -0.001 0.000 0.213 538 L C 2.526 179.129 176.870 -0.444 0.000 1.072 538 L CA 2.507 57.118 54.840 -0.381 0.000 0.755 538 L CB -0.965 40.805 42.059 -0.480 0.000 0.889 538 L HN 0.342 nan 8.230 nan 0.000 0.432 539 V N -2.544 117.157 119.914 -0.355 0.000 2.719 539 V HA 0.106 4.226 4.120 -0.001 0.000 0.252 539 V C 2.331 178.284 176.094 -0.235 0.000 1.065 539 V CA 1.301 63.459 62.300 -0.237 0.000 1.086 539 V CB -1.777 29.974 31.823 -0.119 0.000 0.700 539 V HN 0.446 nan 8.190 nan 0.000 0.467 540 G N 0.186 108.790 108.800 -0.327 0.000 2.402 540 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.216 540 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.216 540 G C 1.711 176.467 174.900 -0.240 0.000 1.162 540 G CA 1.127 46.001 45.100 -0.376 0.000 0.777 540 G HN 0.842 nan 8.290 nan 0.000 0.539 541 A N 1.193 123.768 122.820 -0.409 0.000 1.898 541 A HA 0.309 4.629 4.320 -0.001 0.000 0.216 541 A C 2.819 180.256 177.584 -0.245 0.000 1.181 541 A CA 2.158 53.897 52.037 -0.497 0.000 0.620 541 A CB -0.798 17.334 19.000 -1.448 0.000 0.819 541 A HN 0.737 nan 8.150 nan 0.000 0.442 542 A N 0.501 123.179 122.820 -0.237 0.000 1.877 542 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 542 A C 2.342 180.069 177.584 0.238 0.000 1.186 542 A CA 2.222 54.276 52.037 0.029 0.000 0.620 542 A CB -0.695 18.228 19.000 -0.127 0.000 0.822 542 A HN 0.865 nan 8.150 nan 0.000 0.443 543 M N -0.101 119.557 119.600 0.096 0.000 2.319 543 M HA -0.074 4.405 4.480 -0.001 0.000 0.265 543 M C 1.790 178.324 176.300 0.390 0.000 1.068 543 M CA 2.242 57.698 55.300 0.259 0.000 1.118 543 M CB -0.892 31.837 32.600 0.214 0.000 1.395 543 M HN 0.362 nan 8.290 nan 0.000 0.435 544 T N -2.013 112.730 114.554 0.315 0.000 3.014 544 T HA 0.062 4.412 4.350 -0.001 0.000 0.263 544 T C 1.765 176.635 174.700 0.283 0.000 1.078 544 T CA 0.892 63.207 62.100 0.357 0.000 1.135 544 T CB -0.228 68.831 68.868 0.318 0.000 0.895 544 T HN 0.593 nan 8.240 nan 0.000 0.480 545 Q N 0.929 120.869 119.800 0.234 0.000 2.089 545 Q HA 0.193 4.532 4.340 -0.001 0.000 0.195 545 Q C 0.929 177.001 176.000 0.120 0.000 0.963 545 Q CA 0.686 56.591 55.803 0.170 0.000 0.834 545 Q CB 0.300 29.175 28.738 0.228 0.000 0.906 545 Q HN 0.405 nan 8.270 nan 0.000 0.452 546 R N 0.488 121.107 120.500 0.198 0.000 2.674 546 R HA 0.187 4.527 4.340 -0.001 0.000 0.270 546 R C -2.203 174.233 176.300 0.227 0.000 1.492 546 R CA -1.106 55.046 56.100 0.087 0.000 1.624 546 R CB 1.007 31.198 30.300 -0.182 0.000 1.307 546 R HN 0.102 nan 8.270 nan 0.000 0.683 547 P HA -0.248 nan 4.420 nan 0.000 0.218 547 P C 1.022 178.407 177.300 0.142 0.000 1.148 547 P CA 1.372 64.630 63.100 0.263 0.000 0.822 547 P CB 0.315 32.071 31.700 0.093 0.000 0.784 548 E N 0.706 120.912 120.200 0.011 0.000 2.333 548 E HA -0.129 4.221 4.350 -0.001 0.000 0.198 548 E C 1.845 178.365 176.600 -0.133 0.000 1.007 548 E CA 0.770 57.138 56.400 -0.052 0.000 0.845 548 E CB -1.123 28.538 29.700 -0.066 0.000 0.766 548 E HN 0.338 nan 8.360 nan 0.000 0.507 549 L N -0.390 120.656 121.223 -0.296 0.000 2.492 549 L HA 0.083 4.423 4.340 -0.001 0.000 0.223 549 L C 0.232 176.698 176.870 -0.675 0.000 1.132 549 L CA 0.362 54.841 54.840 -0.602 0.000 0.850 549 L CB -0.144 41.321 42.059 -0.989 0.000 0.966 549 L HN -0.011 nan 8.230 nan 0.000 0.454 550 Y N -1.686 118.650 120.300 0.060 0.000 2.499 550 Y HA 0.492 5.041 4.550 -0.001 0.000 0.347 550 Y C 0.998 176.943 175.900 0.075 0.000 0.987 550 Y CA -0.932 57.213 58.100 0.075 0.000 1.044 550 Y CB 1.536 40.064 38.460 0.113 0.000 1.245 550 Y HN -0.234 nan 8.280 nan 0.000 0.461 551 G N 0.498 109.432 108.800 0.223 0.000 2.545 551 G HA2 0.476 4.436 3.960 -0.001 0.000 0.212 551 G HA3 0.476 4.436 3.960 -0.001 0.000 0.212 551 G C 0.010 174.994 174.900 0.140 0.000 1.144 551 G CA 0.633 45.820 45.100 0.144 0.000 0.813 551 G HN 0.795 nan 8.290 nan 0.000 0.531 552 A N -1.004 121.922 122.820 0.177 0.000 2.594 552 A HA 0.684 5.004 4.320 -0.001 0.000 0.295 552 A C -1.858 175.854 177.584 0.213 0.000 1.071 552 A CA -0.388 51.756 52.037 0.177 0.000 0.685 552 A CB 1.770 20.801 19.000 0.052 0.000 1.285 552 A HN 0.454 nan 8.150 nan 0.000 0.405 553 V N 1.014 121.083 119.914 0.258 0.000 2.577 553 V HA 0.549 4.669 4.120 -0.001 0.000 0.303 553 V C -0.768 175.421 176.094 0.159 0.000 1.042 553 V CA -0.567 61.838 62.300 0.175 0.000 0.872 553 V CB 1.770 33.673 31.823 0.132 0.000 0.998 553 V HN 0.770 nan 8.190 nan 0.000 0.423 554 V N 3.557 123.534 119.914 0.105 0.000 2.357 554 V HA 0.404 4.524 4.120 -0.001 0.000 0.284 554 V C -0.221 175.951 176.094 0.130 0.000 1.018 554 V CA -0.440 61.867 62.300 0.012 0.000 0.841 554 V CB 1.497 33.216 31.823 -0.172 0.000 0.991 554 V HN 0.997 nan 8.190 nan 0.000 0.437 555 C N 6.048 125.370 119.300 0.037 0.000 2.321 555 C HA 0.857 5.317 4.460 -0.001 0.000 0.323 555 C C 0.497 175.485 174.990 -0.004 0.000 1.191 555 C CA -0.351 58.670 59.018 0.005 0.000 1.455 555 C CB -0.385 27.325 27.740 -0.050 0.000 2.083 555 C HN 1.029 nan 8.230 nan 0.000 0.442 556 A N 4.844 127.670 122.820 0.009 0.000 2.317 556 A HA 0.654 4.974 4.320 -0.001 0.000 0.327 556 A C 0.604 178.153 177.584 -0.059 0.000 1.178 556 A CA 0.214 52.245 52.037 -0.011 0.000 0.817 556 A CB 0.727 19.746 19.000 0.031 0.000 1.189 556 A HN 2.277 nan 8.150 nan 0.000 0.489 557 V N -0.784 119.104 119.914 -0.045 0.000 5.620 557 V HA -0.118 4.001 4.120 -0.001 0.000 0.192 557 V C -2.256 173.842 176.094 0.007 0.000 0.714 557 V CA 0.380 62.677 62.300 -0.006 0.000 0.544 557 V CB -2.301 29.491 31.823 -0.051 0.000 0.189 557 V HN 0.769 nan 8.190 nan 0.000 0.450 558 P HA 0.634 nan 4.420 nan 0.000 0.285 558 P C -0.200 176.950 177.300 -0.250 0.000 1.269 558 P CA -0.898 62.113 63.100 -0.147 0.000 0.844 558 P CB 1.954 33.544 31.700 -0.182 0.000 1.094 559 L N 2.421 123.411 121.223 -0.388 0.000 2.275 559 L HA 0.366 4.705 4.340 -0.001 0.000 0.288 559 L C 1.265 177.871 176.870 -0.439 0.000 1.046 559 L CA -0.241 54.193 54.840 -0.676 0.000 0.805 559 L CB 0.734 42.455 42.059 -0.564 0.000 1.193 559 L HN 0.374 nan 8.230 nan 0.000 0.426 560 L N 0.603 121.668 121.223 -0.263 0.000 3.195 560 L HA 0.228 4.568 4.340 -0.001 0.000 0.290 560 L C 0.057 177.063 176.870 0.226 0.000 1.092 560 L CA 0.014 54.827 54.840 -0.046 0.000 1.094 560 L CB 0.609 42.559 42.059 -0.181 0.000 1.743 560 L HN 0.495 nan 8.230 nan 0.000 0.579 561 D N 1.214 121.882 120.400 0.446 0.000 2.456 561 D HA 0.190 4.830 4.640 -0.001 0.000 0.219 561 D C 0.847 177.437 176.300 0.483 0.000 1.126 561 D CA -0.125 54.123 54.000 0.413 0.000 0.890 561 D CB 1.006 41.875 40.800 0.115 0.000 1.025 561 D HN -0.031 nan 8.370 nan 0.000 0.511 562 M N 2.868 122.703 119.600 0.391 0.000 2.618 562 M HA 0.003 4.483 4.480 -0.001 0.000 0.240 562 M C 1.510 178.075 176.300 0.441 0.000 1.123 562 M CA 0.205 55.704 55.300 0.333 0.000 1.060 562 M CB 0.058 32.654 32.600 -0.007 0.000 1.535 562 M HN 0.221 nan 8.290 nan 0.000 0.507 563 V N -0.011 120.151 119.914 0.413 0.000 2.951 563 V HA -0.086 4.033 4.120 -0.001 0.000 0.255 563 V C 1.911 178.258 176.094 0.422 0.000 1.088 563 V CA 1.253 63.779 62.300 0.376 0.000 1.109 563 V CB -0.367 31.586 31.823 0.218 0.000 0.724 563 V HN 0.458 nan 8.190 nan 0.000 0.471 564 R N -1.379 119.347 120.500 0.377 0.000 2.509 564 R HA 0.145 4.485 4.340 -0.001 0.000 0.297 564 R C 1.960 178.330 176.300 0.118 0.000 0.951 564 R CA 0.066 56.264 56.100 0.165 0.000 1.103 564 R CB 0.116 30.534 30.300 0.197 0.000 1.283 564 R HN 0.713 nan 8.270 nan 0.000 0.534 565 Y N 0.924 121.430 120.300 0.343 0.000 2.274 565 Y HA -0.202 4.348 4.550 -0.001 0.000 0.290 565 Y C 2.158 178.287 175.900 0.382 0.000 1.145 565 Y CA 1.452 59.834 58.100 0.469 0.000 1.203 565 Y CB -0.669 38.058 38.460 0.445 0.000 0.984 565 Y HN 0.138 nan 8.280 nan 0.000 0.533 566 H N 0.211 118.834 119.070 -0.746 0.000 2.545 566 H HA 0.006 4.562 4.556 -0.001 0.000 0.282 566 H C 1.395 176.601 175.328 -0.202 0.000 1.020 566 H CA 1.152 56.862 56.048 -0.564 0.000 1.243 566 H CB -0.622 28.814 29.762 -0.544 0.000 1.377 566 H HN 0.506 nan 8.280 nan 0.000 0.581 567 L N -0.463 120.429 121.223 -0.552 0.000 2.558 567 L HA 0.184 4.523 4.340 -0.001 0.000 0.225 567 L C -0.203 176.279 176.870 -0.647 0.000 1.128 567 L CA 0.133 54.616 54.840 -0.594 0.000 0.868 567 L CB 0.037 41.631 42.059 -0.775 0.000 1.006 567 L HN -0.006 nan 8.230 nan 0.000 0.454 568 F N -1.007 118.890 119.950 -0.087 0.000 2.576 568 F HA 0.622 5.148 4.527 -0.001 0.000 0.313 568 F C 1.130 176.950 175.800 0.033 0.000 1.078 568 F CA -0.410 57.582 58.000 -0.014 0.000 0.921 568 F CB 1.272 40.281 39.000 0.016 0.000 1.232 568 F HN -0.001 nan 8.300 nan 0.000 0.459 569 G N 1.280 110.197 108.800 0.195 0.000 2.634 569 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.309 569 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.309 569 G C 0.687 175.594 174.900 0.012 0.000 1.265 569 G CA 0.356 45.535 45.100 0.131 0.000 0.998 569 G HN 0.687 nan 8.290 nan 0.000 0.551 570 S N 1.629 117.289 115.700 -0.067 0.000 2.660 570 S HA 0.342 4.812 4.470 -0.001 0.000 0.227 570 S C 2.108 176.243 174.600 -0.775 0.000 0.948 570 S CA 1.185 59.186 58.200 -0.332 0.000 0.948 570 S CB 0.212 63.254 63.200 -0.262 0.000 0.779 570 S HN 1.305 nan 8.310 nan 0.000 0.487 571 G N 2.692 111.260 108.800 -0.387 0.000 2.469 571 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.219 571 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.219 571 G C 1.510 176.349 174.900 -0.101 0.000 1.150 571 G CA 0.426 45.453 45.100 -0.121 0.000 0.763 571 G HN 0.442 nan 8.290 nan 0.000 0.561 572 R N 0.163 120.573 120.500 -0.150 0.000 2.193 572 R HA -0.059 4.281 4.340 -0.001 0.000 0.229 572 R C 2.838 179.078 176.300 -0.099 0.000 1.110 572 R CA 1.485 57.545 56.100 -0.068 0.000 0.988 572 R CB -0.540 29.714 30.300 -0.078 0.000 0.871 572 R HN 0.545 nan 8.270 nan 0.000 0.458 573 T N -2.329 112.024 114.554 -0.335 0.000 3.051 573 T HA -0.093 4.257 4.350 -0.001 0.000 0.269 573 T C 1.056 175.833 174.700 0.128 0.000 1.127 573 T CA 0.465 62.367 62.100 -0.330 0.000 1.107 573 T CB -0.034 68.472 68.868 -0.603 0.000 0.898 573 T HN 0.347 nan 8.240 nan 0.000 0.517 574 W N 0.315 121.917 121.300 0.504 0.000 3.220 574 W HA 0.512 5.171 4.660 -0.001 0.000 0.328 574 W C 1.531 178.352 176.519 0.503 0.000 1.205 574 W CA -1.779 55.919 57.345 0.588 0.000 1.773 574 W CB -0.742 29.093 29.460 0.626 0.000 1.086 574 W HN 0.318 nan 8.180 nan 0.000 0.622 575 I N 1.765 122.678 120.570 0.572 0.000 2.248 575 I HA -0.247 3.922 4.170 -0.001 0.000 0.248 575 I C -0.432 175.874 176.117 0.315 0.000 1.107 575 I CA 1.448 63.012 61.300 0.440 0.000 1.373 575 I CB -1.571 36.573 38.000 0.241 0.000 1.055 575 I HN -0.240 nan 8.210 nan 0.000 0.418 576 P HA -0.173 nan 4.420 nan 0.000 0.221 576 P C 1.295 178.682 177.300 0.144 0.000 1.145 576 P CA 1.284 64.513 63.100 0.214 0.000 0.795 576 P CB 0.129 31.983 31.700 0.256 0.000 0.775 577 E N -1.996 118.262 120.200 0.097 0.000 2.127 577 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 577 E C 1.157 177.623 176.600 -0.223 0.000 0.964 577 E CA 0.988 57.225 56.400 -0.271 0.000 0.832 577 E CB -0.347 28.809 29.700 -0.906 0.000 0.790 577 E HN 0.164 nan 8.360 nan 0.000 0.465 578 Y N -0.581 119.783 120.300 0.107 0.000 2.524 578 Y HA 0.435 4.985 4.550 -0.001 0.000 0.270 578 Y C 1.115 177.125 175.900 0.183 0.000 1.094 578 Y CA 0.539 58.712 58.100 0.122 0.000 1.276 578 Y CB 0.694 39.225 38.460 0.118 0.000 1.130 578 Y HN 0.155 nan 8.280 nan 0.000 0.536 579 G N 0.066 109.085 108.800 0.365 0.000 2.710 579 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.668 579 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.668 579 G C -0.589 174.510 174.900 0.332 0.000 1.320 579 G CA -0.338 44.926 45.100 0.273 0.000 0.860 579 G HN 0.303 nan 8.290 nan 0.000 0.538 580 T N -1.288 113.361 114.554 0.158 0.000 2.886 580 T HA 0.744 5.093 4.350 -0.001 0.000 0.292 580 T C 1.273 175.973 174.700 0.000 0.000 1.012 580 T CA 0.728 62.829 62.100 0.001 0.000 0.982 580 T CB 1.322 70.063 68.868 -0.212 0.000 1.018 580 T HN 2.185 nan 8.240 nan 0.000 0.451 581 A N 3.164 126.001 122.820 0.029 0.000 2.225 581 A HA 0.052 4.372 4.320 -0.001 0.000 0.215 581 A C 1.731 179.424 177.584 0.183 0.000 1.164 581 A CA 1.356 53.530 52.037 0.229 0.000 0.710 581 A CB -0.610 18.627 19.000 0.396 0.000 0.780 581 A HN 0.963 nan 8.150 nan 0.000 0.473 582 E N 0.033 120.213 120.200 -0.034 0.000 2.268 582 E HA -0.088 4.262 4.350 -0.001 0.000 0.195 582 E C 0.156 176.849 176.600 0.155 0.000 0.995 582 E CA 0.671 57.099 56.400 0.047 0.000 0.836 582 E CB 0.020 29.672 29.700 -0.080 0.000 0.763 582 E HN 0.548 nan 8.360 nan 0.000 0.491 583 K N 0.886 121.314 120.400 0.046 0.000 2.159 583 K HA 0.133 4.453 4.320 -0.001 0.000 0.266 583 K C -1.936 174.474 176.600 -0.317 0.000 0.975 583 K CA -1.922 54.328 56.287 -0.061 0.000 0.865 583 K CB 1.555 34.039 32.500 -0.027 0.000 1.087 583 K HN -0.191 nan 8.250 nan 0.000 0.446 584 P HA -0.163 nan 4.420 nan 0.000 0.217 584 P C 0.601 177.798 177.300 -0.172 0.000 1.150 584 P CA 1.360 64.047 63.100 -0.688 0.000 0.832 584 P CB 0.461 31.930 31.700 -0.387 0.000 0.787 585 E N 0.057 120.208 120.200 -0.083 0.000 2.072 585 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 585 E C 1.770 178.379 176.600 0.016 0.000 0.985 585 E CA 1.147 57.540 56.400 -0.011 0.000 0.801 585 E CB -0.927 28.770 29.700 -0.004 0.000 0.750 585 E HN 0.157 nan 8.360 nan 0.000 0.452 586 D N -0.409 120.005 120.400 0.022 0.000 2.123 586 D HA -0.177 4.463 4.640 -0.001 0.000 0.196 586 D C 1.649 178.001 176.300 0.086 0.000 0.992 586 D CA 0.783 54.822 54.000 0.064 0.000 0.833 586 D CB -0.399 40.449 40.800 0.080 0.000 0.954 586 D HN 0.180 nan 8.370 nan 0.000 0.455 587 F N 1.715 121.636 119.950 -0.049 0.000 2.126 587 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 587 F C 2.114 177.938 175.800 0.039 0.000 1.096 587 F CA 1.527 59.527 58.000 0.000 0.000 1.255 587 F CB -0.133 38.868 39.000 0.002 0.000 0.997 587 F HN -0.194 nan 8.300 nan 0.000 0.479 588 K N -0.333 119.997 120.400 -0.116 0.000 2.032 588 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 588 K C 2.011 178.519 176.600 -0.154 0.000 1.048 588 K CA 2.153 58.337 56.287 -0.171 0.000 0.927 588 K CB -0.520 31.978 32.500 -0.003 0.000 0.712 588 K HN 0.303 nan 8.250 nan 0.000 0.441 589 T N 1.615 116.129 114.554 -0.067 0.000 2.652 589 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 589 T C 1.794 176.421 174.700 -0.122 0.000 1.039 589 T CA 1.636 63.733 62.100 -0.005 0.000 1.153 589 T CB -0.192 68.718 68.868 0.069 0.000 0.863 589 T HN 0.149 nan 8.240 nan 0.000 0.428 590 L N -0.112 120.976 121.223 -0.225 0.000 2.017 590 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 590 L C 2.579 179.189 176.870 -0.434 0.000 1.073 590 L CA 1.565 56.120 54.840 -0.475 0.000 0.745 590 L CB -0.641 41.326 42.059 -0.153 0.000 0.894 590 L HN 0.451 nan 8.230 nan 0.000 0.432 591 H N -0.216 118.563 119.070 -0.485 0.000 2.421 591 H HA -0.141 4.415 4.556 -0.001 0.000 0.298 591 H C 2.150 177.426 175.328 -0.087 0.000 1.087 591 H CA 0.869 56.669 56.048 -0.414 0.000 1.330 591 H CB 0.410 29.664 29.762 -0.845 0.000 1.388 591 H HN 0.378 nan 8.280 nan 0.000 0.526 592 A N 0.660 123.404 122.820 -0.128 0.000 1.969 592 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 592 A C 1.881 179.417 177.584 -0.080 0.000 1.169 592 A CA 1.526 53.526 52.037 -0.061 0.000 0.635 592 A CB -0.655 18.337 19.000 -0.013 0.000 0.810 592 A HN 0.768 nan 8.150 nan 0.000 0.445 593 Y N -2.461 117.831 120.300 -0.012 0.000 2.430 593 Y HA 0.448 4.997 4.550 -0.001 0.000 0.248 593 Y C 0.863 176.812 175.900 0.082 0.000 1.108 593 Y CA -0.321 57.764 58.100 -0.023 0.000 1.264 593 Y CB -0.722 37.840 38.460 0.170 0.000 1.172 593 Y HN 0.055 nan 8.280 nan 0.000 0.520 594 S N 4.021 119.790 115.700 0.114 0.000 2.887 594 S HA 0.032 4.502 4.470 -0.001 0.000 0.337 594 S C -1.498 173.355 174.600 0.422 0.000 1.209 594 S CA -0.757 57.601 58.200 0.264 0.000 1.186 594 S CB 0.330 63.775 63.200 0.409 0.000 0.925 594 S HN 0.247 nan 8.310 nan 0.000 0.522 595 P HA -0.128 nan 4.420 nan 0.000 0.216 595 P C 1.010 178.587 177.300 0.462 0.000 1.150 595 P CA 0.853 64.124 63.100 0.285 0.000 0.837 595 P CB -0.070 31.615 31.700 -0.024 0.000 0.786 596 Y N -0.050 120.419 120.300 0.281 0.000 2.315 596 Y HA -0.208 4.342 4.550 -0.001 0.000 0.288 596 Y C 1.401 177.242 175.900 -0.098 0.000 1.154 596 Y CA 1.704 59.901 58.100 0.163 0.000 1.229 596 Y CB -0.945 37.514 38.460 -0.001 0.000 0.980 596 Y HN 0.164 nan 8.280 nan 0.000 0.540 597 H N -2.066 117.035 119.070 0.052 0.000 2.529 597 H HA 0.204 4.760 4.556 -0.001 0.000 0.277 597 H C 0.387 175.434 175.328 -0.469 0.000 1.004 597 H CA 0.561 56.483 56.048 -0.209 0.000 1.167 597 H CB 0.030 29.764 29.762 -0.047 0.000 1.445 597 H HN 0.357 nan 8.280 nan 0.000 0.554 598 H N -0.276 118.849 119.070 0.091 0.000 2.665 598 H HA 0.207 4.762 4.556 -0.001 0.000 0.248 598 H C -0.326 175.068 175.328 0.109 0.000 1.175 598 H CA 0.007 56.114 56.048 0.097 0.000 0.952 598 H CB 0.736 30.569 29.762 0.118 0.000 1.883 598 H HN 0.033 nan 8.280 nan 0.000 0.623 599 V N 2.873 122.830 119.914 0.072 0.000 2.223 599 V HA 0.097 4.217 4.120 -0.001 0.000 0.249 599 V C 0.924 177.089 176.094 0.118 0.000 1.233 599 V CA -0.115 62.198 62.300 0.023 0.000 1.131 599 V CB -0.612 31.075 31.823 -0.228 0.000 1.298 599 V HN 0.225 nan 8.190 nan 0.000 0.498 600 R N 5.282 125.927 120.500 0.243 0.000 2.623 600 R HA 0.207 4.546 4.340 -0.001 0.000 0.271 600 R C -2.116 174.302 176.300 0.198 0.000 1.043 600 R CA -1.050 55.157 56.100 0.178 0.000 1.083 600 R CB 0.347 30.742 30.300 0.159 0.000 0.974 600 R HN 0.411 nan 8.270 nan 0.000 0.436 601 P HA 0.003 nan 4.420 nan 0.000 0.276 601 P C -0.813 176.529 177.300 0.070 0.000 1.252 601 P CA -0.157 63.005 63.100 0.104 0.000 0.802 601 P CB 0.551 32.291 31.700 0.065 0.000 1.035 602 D N -2.531 117.903 120.400 0.058 0.000 2.907 602 D HA -0.098 4.542 4.640 -0.001 0.000 0.226 602 D C -0.478 175.807 176.300 -0.024 0.000 1.141 602 D CA 0.625 54.638 54.000 0.021 0.000 0.779 602 D CB -1.893 38.918 40.800 0.018 0.000 1.095 602 D HN 0.115 nan 8.370 nan 0.000 0.430 603 V N 0.576 120.448 119.914 -0.069 0.000 2.604 603 V HA 0.325 4.445 4.120 -0.001 0.000 0.305 603 V C 0.709 176.615 176.094 -0.313 0.000 1.043 603 V CA -0.826 61.323 62.300 -0.251 0.000 0.888 603 V CB 2.299 33.846 31.823 -0.460 0.000 0.995 603 V HN -0.029 nan 8.190 nan 0.000 0.429 604 R N 3.778 124.129 120.500 -0.249 0.000 2.242 604 R HA 0.377 4.716 4.340 -0.001 0.000 0.334 604 R C -1.228 174.933 176.300 -0.230 0.000 1.071 604 R CA -0.228 55.785 56.100 -0.145 0.000 0.922 604 R CB 0.313 30.578 30.300 -0.060 0.000 1.023 604 R HN 0.559 nan 8.270 nan 0.000 0.458 605 Y N 3.359 123.702 120.300 0.073 0.000 2.316 605 Y HA 0.218 4.768 4.550 -0.001 0.000 0.324 605 Y C -1.522 174.445 175.900 0.113 0.000 1.267 605 Y CA -2.366 55.793 58.100 0.098 0.000 1.311 605 Y CB 0.257 38.769 38.460 0.086 0.000 1.267 605 Y HN 0.465 nan 8.280 nan 0.000 0.516 606 P HA 0.089 nan 4.420 nan 0.000 0.269 606 P C -0.937 176.514 177.300 0.252 0.000 1.217 606 P CA -0.336 62.916 63.100 0.253 0.000 0.783 606 P CB 0.382 32.254 31.700 0.285 0.000 0.898 607 A N 1.792 124.738 122.820 0.210 0.000 2.483 607 A HA 0.338 4.658 4.320 -0.001 0.000 0.238 607 A C -0.354 177.471 177.584 0.401 0.000 1.070 607 A CA 0.250 52.447 52.037 0.266 0.000 0.770 607 A CB -0.631 18.458 19.000 0.147 0.000 1.008 607 A HN 0.559 nan 8.150 nan 0.000 0.497 608 L N 2.398 123.851 121.223 0.383 0.000 2.409 608 L HA 0.696 5.036 4.340 -0.001 0.000 0.272 608 L C -1.287 175.562 176.870 -0.035 0.000 0.980 608 L CA -0.585 54.385 54.840 0.217 0.000 0.826 608 L CB 1.877 44.031 42.059 0.158 0.000 1.268 608 L HN 0.636 nan 8.230 nan 0.000 0.407 609 L N 5.749 126.749 121.223 -0.373 0.000 2.342 609 L HA 0.655 4.995 4.340 -0.001 0.000 0.276 609 L C -0.962 175.743 176.870 -0.275 0.000 0.997 609 L CA -0.391 54.086 54.840 -0.606 0.000 0.838 609 L CB 1.412 42.655 42.059 -1.360 0.000 1.224 609 L HN 0.783 nan 8.230 nan 0.000 0.416 610 M N 6.356 125.865 119.600 -0.151 0.000 2.113 610 M HA 0.480 4.959 4.480 -0.001 0.000 0.352 610 M C -0.942 175.306 176.300 -0.087 0.000 1.170 610 M CA -0.247 55.011 55.300 -0.070 0.000 1.053 610 M CB 0.978 33.577 32.600 -0.003 0.000 1.601 610 M HN 0.458 nan 8.290 nan 0.000 0.459 611 M N 4.889 124.445 119.600 -0.073 0.000 2.103 611 M HA 0.493 4.973 4.480 -0.001 0.000 0.350 611 M C -0.325 175.953 176.300 -0.037 0.000 1.100 611 M CA -0.318 54.942 55.300 -0.067 0.000 1.042 611 M CB -0.137 32.422 32.600 -0.069 0.000 1.368 611 M HN 0.733 nan 8.290 nan 0.000 0.404 612 A N 2.796 125.600 122.820 -0.027 0.000 2.269 612 A HA 0.981 5.301 4.320 -0.001 0.000 0.327 612 A C -0.390 177.195 177.584 0.002 0.000 1.112 612 A CA -0.545 51.489 52.037 -0.004 0.000 0.865 612 A CB 1.056 20.060 19.000 0.007 0.000 1.227 612 A HN 0.808 nan 8.150 nan 0.000 0.498 613 A N -0.141 122.693 122.820 0.024 0.000 2.401 613 A HA 0.608 4.927 4.320 -0.001 0.000 0.310 613 A C 0.126 177.733 177.584 0.038 0.000 1.075 613 A CA -0.005 52.056 52.037 0.041 0.000 0.746 613 A CB 0.992 20.029 19.000 0.062 0.000 1.277 613 A HN 0.862 nan 8.150 nan 0.000 0.425 614 D N -0.397 120.024 120.400 0.035 0.000 2.347 614 D HA -0.025 4.614 4.640 -0.001 0.000 0.213 614 D C 0.357 176.508 176.300 -0.248 0.000 0.985 614 D CA 1.331 55.284 54.000 -0.078 0.000 0.879 614 D CB -0.195 40.553 40.800 -0.086 0.000 0.919 614 D HN 0.630 nan 8.370 nan 0.000 0.526 615 H N -0.448 118.659 119.070 0.062 0.000 2.549 615 H HA 0.219 4.774 4.556 -0.001 0.000 0.253 615 H C -0.846 174.536 175.328 0.090 0.000 1.170 615 H CA -0.676 55.414 56.048 0.069 0.000 0.943 615 H CB 0.289 30.090 29.762 0.064 0.000 1.849 615 H HN -0.062 nan 8.280 nan 0.000 0.603 616 D N 1.975 122.475 120.400 0.167 0.000 2.348 616 D HA -0.046 4.594 4.640 -0.001 0.000 0.259 616 D C 0.274 176.673 176.300 0.166 0.000 1.296 616 D CA 0.107 54.223 54.000 0.193 0.000 0.931 616 D CB 0.496 41.425 40.800 0.216 0.000 1.067 616 D HN 0.484 nan 8.370 nan 0.000 0.503 617 D N 2.582 123.078 120.400 0.160 0.000 2.358 617 D HA 0.010 4.649 4.640 -0.001 0.000 0.224 617 D C 1.139 177.516 176.300 0.128 0.000 1.123 617 D CA -0.152 53.925 54.000 0.129 0.000 0.833 617 D CB 0.340 41.202 40.800 0.103 0.000 0.946 617 D HN 0.335 nan 8.370 nan 0.000 0.505 618 R N -0.266 120.320 120.500 0.145 0.000 2.107 618 R HA 0.232 4.572 4.340 -0.001 0.000 0.195 618 R C -0.271 176.206 176.300 0.295 0.000 1.214 618 R CA 0.137 56.336 56.100 0.166 0.000 1.129 618 R CB 0.576 30.894 30.300 0.030 0.000 1.045 618 R HN -0.034 nan 8.270 nan 0.000 0.489 619 V N 3.151 123.189 119.914 0.207 0.000 2.350 619 V HA 0.124 4.244 4.120 -0.001 0.000 0.276 619 V C -0.438 175.817 176.094 0.269 0.000 1.028 619 V CA -0.693 61.781 62.300 0.289 0.000 0.860 619 V CB 1.167 33.082 31.823 0.155 0.000 0.990 619 V HN 0.282 nan 8.190 nan 0.000 0.453 620 D N 6.911 127.501 120.400 0.317 0.000 2.458 620 D HA 0.088 4.728 4.640 -0.001 0.000 0.243 620 D C -1.654 174.732 176.300 0.143 0.000 1.146 620 D CA -1.214 52.904 54.000 0.197 0.000 0.877 620 D CB 2.160 43.034 40.800 0.123 0.000 1.176 620 D HN 0.262 nan 8.370 nan 0.000 0.461 621 P HA -0.136 nan 4.420 nan 0.000 0.228 621 P C 1.339 178.605 177.300 -0.056 0.000 1.151 621 P CA 0.928 64.046 63.100 0.029 0.000 0.770 621 P CB -0.042 31.669 31.700 0.017 0.000 0.786 622 M N -2.884 116.595 119.600 -0.202 0.000 2.213 622 M HA -0.172 4.308 4.480 -0.001 0.000 0.263 622 M C 1.807 177.888 176.300 -0.365 0.000 1.062 622 M CA 1.889 56.963 55.300 -0.377 0.000 1.105 622 M CB -1.751 30.454 32.600 -0.658 0.000 1.385 622 M HN -0.020 nan 8.290 nan 0.000 0.417 623 H N 0.754 119.687 119.070 -0.228 0.000 2.319 623 H HA 0.019 4.574 4.556 -0.001 0.000 0.299 623 H C 2.265 177.529 175.328 -0.106 0.000 1.092 623 H CA 2.101 58.038 56.048 -0.186 0.000 1.302 623 H CB -0.596 29.094 29.762 -0.121 0.000 1.373 623 H HN 0.608 nan 8.280 nan 0.000 0.497 624 A N 1.582 124.446 122.820 0.075 0.000 1.933 624 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 624 A C 2.522 180.162 177.584 0.094 0.000 1.175 624 A CA 1.173 53.260 52.037 0.084 0.000 0.628 624 A CB -0.362 18.673 19.000 0.059 0.000 0.814 624 A HN 0.322 nan 8.150 nan 0.000 0.444 625 R N -0.135 120.380 120.500 0.024 0.000 2.070 625 R HA -0.099 4.240 4.340 -0.001 0.000 0.233 625 R C 2.178 178.410 176.300 -0.114 0.000 1.137 625 R CA 1.609 57.735 56.100 0.045 0.000 0.945 625 R CB -0.357 29.867 30.300 -0.127 0.000 0.845 625 R HN 0.478 nan 8.270 nan 0.000 0.430 626 K N -0.152 120.096 120.400 -0.253 0.000 2.097 626 K HA -0.154 4.166 4.320 -0.001 0.000 0.206 626 K C 1.973 178.555 176.600 -0.029 0.000 1.049 626 K CA 1.221 57.335 56.287 -0.289 0.000 0.933 626 K CB -0.225 31.904 32.500 -0.619 0.000 0.717 626 K HN 0.089 nan 8.250 nan 0.000 0.442 627 F N 1.216 121.119 119.950 -0.077 0.000 2.163 627 F HA -0.150 4.376 4.527 -0.001 0.000 0.297 627 F C 2.178 177.966 175.800 -0.021 0.000 1.094 627 F CA 0.768 58.792 58.000 0.040 0.000 1.290 627 F CB -0.322 38.695 39.000 0.028 0.000 1.017 627 F HN -0.271 nan 8.300 nan 0.000 0.483 628 V N 0.293 120.250 119.914 0.072 0.000 2.407 628 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 628 V C 2.503 178.535 176.094 -0.103 0.000 1.055 628 V CA 1.880 64.174 62.300 -0.011 0.000 1.049 628 V CB -0.872 31.001 31.823 0.083 0.000 0.662 628 V HN 0.447 nan 8.190 nan 0.000 0.455 629 A N -0.187 122.548 122.820 -0.142 0.000 1.883 629 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 629 A C 2.420 179.686 177.584 -0.529 0.000 1.186 629 A CA 2.351 54.145 52.037 -0.404 0.000 0.624 629 A CB -1.020 17.416 19.000 -0.939 0.000 0.822 629 A HN 0.772 nan 8.150 nan 0.000 0.444 630 A N -0.799 121.751 122.820 -0.451 0.000 1.902 630 A HA 0.036 4.355 4.320 -0.001 0.000 0.217 630 A C 2.234 179.655 177.584 -0.272 0.000 1.181 630 A CA 1.790 53.700 52.037 -0.211 0.000 0.623 630 A CB -0.817 18.109 19.000 -0.124 0.000 0.818 630 A HN 0.395 nan 8.150 nan 0.000 0.443 631 V N -0.228 119.427 119.914 -0.431 0.000 2.379 631 V HA -0.274 3.846 4.120 -0.001 0.000 0.245 631 V C 2.581 178.575 176.094 -0.166 0.000 1.044 631 V CA 2.074 64.128 62.300 -0.410 0.000 1.036 631 V CB -0.917 30.591 31.823 -0.525 0.000 0.664 631 V HN 0.621 nan 8.190 nan 0.000 0.453 632 Q N 0.176 119.907 119.800 -0.116 0.000 2.135 632 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 632 Q C 1.537 177.537 176.000 -0.001 0.000 0.981 632 Q CA 1.428 57.212 55.803 -0.030 0.000 0.856 632 Q CB -0.153 28.573 28.738 -0.020 0.000 0.902 632 Q HN 0.627 nan 8.270 nan 0.000 0.425 633 N N 0.024 118.719 118.700 -0.007 0.000 2.235 633 N HA 0.029 4.769 4.740 -0.001 0.000 0.209 633 N C -0.428 175.123 175.510 0.068 0.000 1.122 633 N CA 0.031 53.114 53.050 0.056 0.000 0.845 633 N CB 0.768 39.329 38.487 0.123 0.000 1.004 633 N HN -0.052 nan 8.380 nan 0.000 0.499 634 S N 2.464 118.190 115.700 0.044 0.000 2.488 634 S HA 0.197 4.666 4.470 -0.001 0.000 0.278 634 S C -2.391 172.268 174.600 0.097 0.000 1.259 634 S CA -1.096 57.152 58.200 0.080 0.000 1.061 634 S CB 0.451 63.716 63.200 0.109 0.000 0.910 634 S HN 0.012 nan 8.310 nan 0.000 0.491 635 P HA 0.170 nan 4.420 nan 0.000 0.262 635 P C 0.835 178.178 177.300 0.073 0.000 1.182 635 P CA 0.908 64.049 63.100 0.069 0.000 0.761 635 P CB 0.250 31.983 31.700 0.055 0.000 0.795 636 G N 1.962 110.799 108.800 0.061 0.000 2.148 636 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.254 636 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.254 636 G C 0.320 175.260 174.900 0.067 0.000 0.981 636 G CA -0.082 45.050 45.100 0.053 0.000 0.670 636 G HN 0.687 nan 8.290 nan 0.000 0.528 637 N N 1.053 119.816 118.700 0.105 0.000 2.437 637 N HA 0.502 5.241 4.740 -0.001 0.000 0.243 637 N C -0.335 175.244 175.510 0.114 0.000 1.041 637 N CA -1.757 51.380 53.050 0.144 0.000 0.940 637 N CB 1.298 39.931 38.487 0.244 0.000 1.133 637 N HN 0.126 nan 8.380 nan 0.000 0.506 638 P HA 0.175 nan 4.420 nan 0.000 0.245 638 P C -0.301 177.063 177.300 0.107 0.000 1.203 638 P CA 0.041 63.194 63.100 0.088 0.000 0.792 638 P CB 0.318 32.059 31.700 0.068 0.000 0.997 639 A N 0.441 123.338 122.820 0.129 0.000 2.340 639 A HA 0.460 4.779 4.320 -0.001 0.000 0.268 639 A C 0.339 178.021 177.584 0.165 0.000 1.100 639 A CA -0.091 52.032 52.037 0.143 0.000 0.803 639 A CB -0.257 18.838 19.000 0.160 0.000 1.043 639 A HN 0.082 nan 8.150 nan 0.000 0.488 640 T N 1.181 115.848 114.554 0.188 0.000 2.932 640 T HA 0.444 4.793 4.350 -0.001 0.000 0.312 640 T C 0.215 175.050 174.700 0.225 0.000 1.071 640 T CA 0.908 63.146 62.100 0.231 0.000 1.128 640 T CB 0.651 69.701 68.868 0.303 0.000 0.984 640 T HN 1.377 nan 8.240 nan 0.000 0.549 641 A N 3.196 126.128 122.820 0.187 0.000 2.476 641 A HA 0.637 4.957 4.320 -0.001 0.000 0.280 641 A C -0.835 176.813 177.584 0.106 0.000 1.081 641 A CA -0.749 51.362 52.037 0.124 0.000 0.753 641 A CB 0.717 19.752 19.000 0.059 0.000 1.248 641 A HN 0.760 nan 8.150 nan 0.000 0.424 642 L N 2.359 123.617 121.223 0.058 0.000 2.346 642 L HA 0.607 4.947 4.340 -0.001 0.000 0.276 642 L C -0.865 175.982 176.870 -0.039 0.000 1.006 642 L CA -0.997 53.856 54.840 0.022 0.000 0.817 642 L CB 2.046 44.093 42.059 -0.020 0.000 1.272 642 L HN 0.633 nan 8.230 nan 0.000 0.421 643 L N 4.370 125.563 121.223 -0.049 0.000 2.301 643 L HA 0.429 4.769 4.340 -0.001 0.000 0.278 643 L C -0.206 176.614 176.870 -0.084 0.000 1.022 643 L CA -0.059 54.741 54.840 -0.068 0.000 0.854 643 L CB 0.820 42.827 42.059 -0.087 0.000 1.226 643 L HN 0.536 nan 8.230 nan 0.000 0.429 644 R N 5.902 126.351 120.500 -0.084 0.000 2.229 644 R HA 0.551 4.891 4.340 -0.001 0.000 0.328 644 R C -1.244 175.022 176.300 -0.057 0.000 1.009 644 R CA -0.490 55.561 56.100 -0.082 0.000 0.864 644 R CB 0.648 30.889 30.300 -0.100 0.000 1.085 644 R HN 0.715 nan 8.270 nan 0.000 0.453 645 I N 3.789 124.332 120.570 -0.045 0.000 2.354 645 I HA 0.164 4.334 4.170 -0.001 0.000 0.286 645 I C -0.152 175.958 176.117 -0.012 0.000 1.007 645 I CA -0.786 60.500 61.300 -0.023 0.000 1.167 645 I CB 1.723 39.713 38.000 -0.017 0.000 1.320 645 I HN 0.570 nan 8.210 nan 0.000 0.458 646 E N 5.303 125.501 120.200 -0.004 0.000 2.344 646 E HA 0.410 4.760 4.350 -0.001 0.000 0.270 646 E C -0.212 176.412 176.600 0.040 0.000 1.021 646 E CA -0.229 56.176 56.400 0.010 0.000 0.887 646 E CB 1.038 30.741 29.700 0.005 0.000 0.997 646 E HN 0.656 nan 8.360 nan 0.000 0.429 647 A N 4.709 127.557 122.820 0.047 0.000 2.371 647 A HA 0.280 4.600 4.320 -0.001 0.000 0.257 647 A C -0.030 177.619 177.584 0.108 0.000 1.089 647 A CA 0.055 52.140 52.037 0.081 0.000 0.794 647 A CB -0.088 18.950 19.000 0.063 0.000 1.029 647 A HN 0.995 nan 8.150 nan 0.000 0.488 648 N N -1.390 117.419 118.700 0.182 0.000 2.727 648 N HA -0.130 4.610 4.740 -0.001 0.000 0.249 648 N C -0.374 175.196 175.510 0.100 0.000 1.048 648 N CA 0.832 53.957 53.050 0.125 0.000 0.714 648 N CB -1.080 37.438 38.487 0.051 0.000 0.959 648 N HN 1.149 nan 8.380 nan 0.000 0.544 649 A N -0.494 122.432 122.820 0.176 0.000 2.356 649 A HA 0.836 5.156 4.320 -0.001 0.000 0.310 649 A C 0.770 178.448 177.584 0.157 0.000 1.075 649 A CA -0.002 52.105 52.037 0.117 0.000 0.746 649 A CB 1.442 20.488 19.000 0.076 0.000 1.221 649 A HN 0.266 nan 8.150 nan 0.000 0.443 650 G N -0.558 108.317 108.800 0.125 0.000 2.641 650 G HA2 0.365 4.325 3.960 -0.001 0.000 0.239 650 G HA3 0.365 4.325 3.960 -0.001 0.000 0.239 650 G C 0.688 175.678 174.900 0.149 0.000 1.402 650 G CA 0.180 45.376 45.100 0.159 0.000 1.046 650 G HN 0.945 nan 8.290 nan 0.000 0.565 651 H N -0.781 118.337 119.070 0.080 0.000 2.421 651 H HA -0.016 4.540 4.556 -0.001 0.000 0.298 651 H C 2.270 177.617 175.328 0.033 0.000 1.087 651 H CA 2.047 58.133 56.048 0.064 0.000 1.330 651 H CB -0.114 29.699 29.762 0.084 0.000 1.388 651 H HN 0.416 nan 8.280 nan 0.000 0.526 652 G N -1.435 107.363 108.800 -0.003 0.000 3.434 652 G HA2 0.468 4.428 3.960 -0.001 0.000 0.258 652 G HA3 0.468 4.428 3.960 -0.001 0.000 0.258 652 G C 0.209 175.075 174.900 -0.057 0.000 1.128 652 G CA 0.291 45.348 45.100 -0.073 0.000 0.792 652 G HN 0.799 nan 8.290 nan 0.000 0.539 653 G N -1.096 107.683 108.800 -0.034 0.000 2.582 653 G HA2 0.290 4.249 3.960 -0.001 0.000 0.222 653 G HA3 0.290 4.249 3.960 -0.001 0.000 0.222 653 G C 0.729 175.633 174.900 0.005 0.000 1.311 653 G CA -0.134 44.951 45.100 -0.024 0.000 0.915 653 G HN 1.080 nan 8.290 nan 0.000 0.528 654 A N -0.803 122.017 122.820 -0.000 0.000 2.267 654 A HA 0.512 4.831 4.320 -0.001 0.000 0.213 654 A C 1.225 178.813 177.584 0.006 0.000 1.192 654 A CA 1.782 53.828 52.037 0.015 0.000 0.851 654 A CB -0.295 18.716 19.000 0.018 0.000 0.881 654 A HN 2.395 nan 8.150 nan 0.000 0.494 655 D N -0.512 119.881 120.400 -0.012 0.000 2.689 655 D HA -0.167 4.473 4.640 -0.001 0.000 0.237 655 D C -0.232 176.057 176.300 -0.018 0.000 1.148 655 D CA 1.224 55.212 54.000 -0.019 0.000 0.656 655 D CB -1.613 39.188 40.800 0.001 0.000 1.050 655 D HN 0.664 nan 8.370 nan 0.000 0.426 656 Q N -0.799 118.988 119.800 -0.022 0.000 2.274 656 Q HA 0.386 4.726 4.340 -0.001 0.000 0.268 656 Q C 1.072 177.055 176.000 -0.028 0.000 1.015 656 Q CA -0.870 54.930 55.803 -0.005 0.000 0.775 656 Q CB 2.138 30.887 28.738 0.020 0.000 1.256 656 Q HN -0.002 nan 8.270 nan 0.000 0.442 657 V N 1.375 121.257 119.914 -0.054 0.000 2.332 657 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 657 V C 2.024 178.069 176.094 -0.083 0.000 1.055 657 V CA 2.630 64.824 62.300 -0.177 0.000 1.038 657 V CB -0.618 30.897 31.823 -0.513 0.000 0.651 657 V HN 0.949 nan 8.190 nan 0.000 0.450 658 A N -0.465 122.380 122.820 0.043 0.000 1.940 658 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 658 A C 2.305 179.929 177.584 0.067 0.000 1.176 658 A CA 1.978 54.081 52.037 0.110 0.000 0.631 658 A CB -0.404 18.687 19.000 0.152 0.000 0.814 658 A HN 0.560 nan 8.150 nan 0.000 0.446 659 K N -0.593 119.831 120.400 0.039 0.000 2.167 659 K HA 0.082 4.402 4.320 -0.001 0.000 0.203 659 K C 2.267 178.873 176.600 0.011 0.000 1.052 659 K CA 0.802 57.103 56.287 0.023 0.000 0.956 659 K CB -0.218 32.291 32.500 0.015 0.000 0.735 659 K HN 0.438 nan 8.250 nan 0.000 0.451 660 A N 1.583 124.405 122.820 0.003 0.000 1.930 660 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 660 A C 2.072 179.734 177.584 0.129 0.000 1.175 660 A CA 1.149 53.188 52.037 0.003 0.000 0.627 660 A CB -0.511 18.426 19.000 -0.105 0.000 0.815 660 A HN 0.142 nan 8.150 nan 0.000 0.443 661 I N -0.361 120.306 120.570 0.163 0.000 2.142 661 I HA -0.288 3.881 4.170 -0.001 0.000 0.240 661 I C 2.513 178.644 176.117 0.023 0.000 1.078 661 I CA 1.787 63.119 61.300 0.054 0.000 1.343 661 I CB -0.503 37.533 38.000 0.060 0.000 1.046 661 I HN 0.421 nan 8.210 nan 0.000 0.405 662 E N 0.382 120.607 120.200 0.041 0.000 2.085 662 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 662 E C 2.343 178.945 176.600 0.005 0.000 0.994 662 E CA 1.555 57.975 56.400 0.033 0.000 0.801 662 E CB -0.094 29.622 29.700 0.027 0.000 0.743 662 E HN 0.354 nan 8.360 nan 0.000 0.453 663 S N 0.398 116.085 115.700 -0.021 0.000 2.368 663 S HA -0.123 4.347 4.470 -0.001 0.000 0.225 663 S C 2.164 176.708 174.600 -0.095 0.000 1.030 663 S CA 1.055 59.219 58.200 -0.059 0.000 0.999 663 S CB -0.083 63.077 63.200 -0.067 0.000 0.844 663 S HN 0.146 nan 8.310 nan 0.000 0.459 664 S N 0.841 116.461 115.700 -0.134 0.000 2.387 664 S HA -0.015 4.455 4.470 -0.001 0.000 0.226 664 S C 2.006 176.631 174.600 0.041 0.000 1.026 664 S CA 0.719 58.784 58.200 -0.226 0.000 0.972 664 S CB -0.279 62.440 63.200 -0.802 0.000 0.814 664 S HN 0.305 nan 8.310 nan 0.000 0.477 665 V N 2.531 122.519 119.914 0.123 0.000 2.332 665 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 665 V C 2.066 178.261 176.094 0.168 0.000 1.055 665 V CA 1.873 64.334 62.300 0.268 0.000 1.038 665 V CB -0.695 31.252 31.823 0.207 0.000 0.651 665 V HN 0.374 nan 8.190 nan 0.000 0.450 666 D N -0.260 120.187 120.400 0.078 0.000 2.097 666 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 666 D C 2.046 178.367 176.300 0.036 0.000 0.989 666 D CA 1.228 55.266 54.000 0.063 0.000 0.827 666 D CB -0.306 40.490 40.800 -0.006 0.000 0.966 666 D HN 0.378 nan 8.370 nan 0.000 0.456 667 L N -0.497 120.658 121.223 -0.114 0.000 1.994 667 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 667 L C 2.208 178.877 176.870 -0.335 0.000 1.071 667 L CA 1.439 56.091 54.840 -0.314 0.000 0.745 667 L CB -0.213 41.487 42.059 -0.598 0.000 0.892 667 L HN 0.039 nan 8.230 nan 0.000 0.431 668 Y N -0.451 119.755 120.300 -0.157 0.000 2.395 668 Y HA -0.159 4.391 4.550 -0.001 0.000 0.293 668 Y C 2.999 178.617 175.900 -0.471 0.000 1.123 668 Y CA 1.163 59.052 58.100 -0.352 0.000 1.227 668 Y CB -0.476 37.814 38.460 -0.282 0.000 1.012 668 Y HN 0.392 nan 8.280 nan 0.000 0.552 669 S N -0.374 115.324 115.700 -0.004 0.000 2.387 669 S HA -0.230 4.239 4.470 -0.001 0.000 0.226 669 S C 1.966 176.650 174.600 0.140 0.000 1.026 669 S CA 0.812 59.109 58.200 0.161 0.000 0.972 669 S CB -1.230 62.171 63.200 0.334 0.000 0.814 669 S HN 0.434 nan 8.310 nan 0.000 0.477 670 F N 2.879 122.833 119.950 0.006 0.000 2.065 670 F HA -0.049 4.478 4.527 -0.001 0.000 0.298 670 F C 1.923 177.560 175.800 -0.273 0.000 1.112 670 F CA 1.539 59.398 58.000 -0.235 0.000 1.212 670 F CB -0.511 38.462 39.000 -0.045 0.000 0.975 670 F HN 0.153 nan 8.300 nan 0.000 0.476 671 L N -1.046 120.030 121.223 -0.246 0.000 2.046 671 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 671 L C 2.529 179.430 176.870 0.051 0.000 1.077 671 L CA 0.953 55.666 54.840 -0.211 0.000 0.747 671 L CB -0.914 41.059 42.059 -0.143 0.000 0.896 671 L HN 0.124 nan 8.230 nan 0.000 0.432 672 F N 0.502 120.495 119.950 0.071 0.000 2.171 672 F HA -0.243 4.284 4.527 -0.001 0.000 0.300 672 F C 2.746 178.486 175.800 -0.100 0.000 1.090 672 F CA 1.410 59.447 58.000 0.063 0.000 1.293 672 F CB -0.973 38.093 39.000 0.110 0.000 1.013 672 F HN 0.135 nan 8.300 nan 0.000 0.486 673 Q N 0.954 120.698 119.800 -0.094 0.000 1.993 673 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 673 Q C 2.215 178.043 176.000 -0.287 0.000 0.984 673 Q CA 2.725 58.353 55.803 -0.292 0.000 0.837 673 Q CB -0.623 27.625 28.738 -0.817 0.000 0.902 673 Q HN 0.291 nan 8.270 nan 0.000 0.423 674 V N -1.938 117.702 119.914 -0.456 0.000 2.951 674 V HA 0.090 4.209 4.120 -0.001 0.000 0.255 674 V C 1.706 177.692 176.094 -0.180 0.000 1.088 674 V CA 1.103 63.179 62.300 -0.373 0.000 1.109 674 V CB -0.450 31.007 31.823 -0.610 0.000 0.724 674 V HN 0.328 nan 8.190 nan 0.000 0.471 675 L N 0.577 121.738 121.223 -0.102 0.000 2.628 675 L HA 0.345 4.684 4.340 -0.001 0.000 0.229 675 L C 0.903 177.786 176.870 0.021 0.000 1.137 675 L CA 0.573 55.421 54.840 0.014 0.000 0.909 675 L CB -0.526 41.611 42.059 0.130 0.000 1.137 675 L HN 0.434 nan 8.230 nan 0.000 0.470 676 D N 1.002 121.396 120.400 -0.008 0.000 2.699 676 D HA -0.157 4.483 4.640 -0.001 0.000 0.239 676 D C -0.355 175.936 176.300 -0.016 0.000 1.136 676 D CA 0.241 54.233 54.000 -0.014 0.000 0.668 676 D CB -0.877 39.913 40.800 -0.017 0.000 1.060 676 D HN -0.039 nan 8.370 nan 0.000 0.429 677 V N 2.212 122.127 119.914 0.001 0.000 2.370 677 V HA 0.289 4.409 4.120 -0.001 0.000 0.257 677 V C 1.273 177.273 176.094 -0.157 0.000 1.064 677 V CA 1.300 63.557 62.300 -0.073 0.000 0.975 677 V CB 0.523 32.320 31.823 -0.044 0.000 1.067 677 V HN 0.652 nan 8.190 nan 0.000 0.485 678 Q N 4.485 124.206 119.800 -0.132 0.000 5.398 678 Q HA -0.100 4.239 4.340 -0.001 0.000 0.286 678 Q C 0.306 176.254 176.000 -0.086 0.000 2.138 678 Q CA 0.989 56.713 55.803 -0.132 0.000 0.545 678 Q CB -1.521 27.103 28.738 -0.190 0.000 0.874 678 Q HN 1.309 nan 8.270 nan 0.000 0.656 679 G N 0.000 108.755 108.800 -0.076 0.000 5.446 679 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 679 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 679 G CA 0.000 nan 45.100 nan 0.000 0.502 679 G HN 0.000 nan 8.290 nan 0.000 0.925