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 2wzf_1_A DATA FIRST_RESID 9 DATA SEQUENCE LSKLRMRFFS ALNHTSEIDL QVLFNDLKSI LTLDSIEHLK EGSVAYAIIQ DATA SEQUENCE ELLKQDDAQN KIQSFLHGAI KNVIHPGVIK GLTPDEINWN VAKAYPKYYE DATA SEQUENCE HEEFPDVTFG GFKVRDSNEF KFKTNIQTSI WFSIKPDLFM PSKQQEALKR DATA SEQUENCE RREQYPGCEI RLIYSSSLLN AEANRQMKAF ARKQNISLID IDSVKTDSPL DATA SEQUENCE YPLLKAELAH LGKGGNPAAA SDLCRWIPEL FNEGFYVDID LPVDSSKIVE DATA SEQUENCE GHQITGGVPI MLNMGSIISE PIAPHHRRQE AVCMNTDIIA YSNDKRTQKM DATA SEQUENCE MDTVARYLKN IYDDPYTALK DTPLAQTAFF NKCQEERKSI FDLRKGLQDA DATA SEQUENCE FRSDSLLQLY DFLGADKFKE VFKLKEAQSK YINEHISEFS EKDLLLNLIS DATA SEQUENCE DKPSEISQHT LDFVKAKAMY IDIAKEHYSA FYKPLVEEIS GPGAIYNALG DATA SEQUENCE GAGSFTTTHR RLTGPMLPTT PPRVLQVFCD AHDKGPFVSD NIARWQTNVR DATA SEQUENCE DLGVLNREGL SWLPS 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.916 176.870 0.077 0.000 1.165 9 L CA 0.000 54.926 54.840 0.144 0.000 0.813 9 L CB 0.000 42.200 42.059 0.236 0.000 0.961 10 S N 0.199 115.893 115.700 -0.010 0.000 2.620 10 S HA 0.066 5.138 4.470 1.004 0.000 0.234 10 S C 1.558 176.086 174.600 -0.120 0.000 1.064 10 S CA 0.810 58.971 58.200 -0.065 0.000 0.920 10 S CB 0.435 63.617 63.200 -0.031 0.000 0.826 10 S HN 0.501 nan 8.310 nan 0.000 0.557 11 K N 1.221 121.578 120.400 -0.072 0.000 2.365 11 K HA 0.134 5.056 4.320 1.004 0.000 0.197 11 K C 1.931 178.488 176.600 -0.073 0.000 1.042 11 K CA 0.521 56.764 56.287 -0.073 0.000 0.987 11 K CB -0.283 32.196 32.500 -0.036 0.000 0.779 11 K HN 0.313 nan 8.250 nan 0.000 0.484 12 L N 2.254 123.453 121.223 -0.041 0.000 2.017 12 L HA -0.070 4.872 4.340 1.004 0.000 0.208 12 L C 2.580 179.413 176.870 -0.062 0.000 1.073 12 L CA 1.550 56.400 54.840 0.017 0.000 0.745 12 L CB -0.527 41.592 42.059 0.100 0.000 0.894 12 L HN 0.179 nan 8.230 nan 0.000 0.432 13 R N -0.661 119.620 120.500 -0.364 0.000 2.103 13 R HA -0.198 4.744 4.340 1.004 0.000 0.242 13 R C 2.159 177.927 176.300 -0.888 0.000 1.142 13 R CA 2.362 57.761 56.100 -1.168 0.000 0.960 13 R CB -0.316 29.011 30.300 -1.622 0.000 0.858 13 R HN 0.464 nan 8.270 nan 0.000 0.439 14 M N -0.226 119.083 119.600 -0.484 0.000 2.254 14 M HA -0.077 5.005 4.480 1.004 0.000 0.265 14 M C 2.197 178.441 176.300 -0.093 0.000 1.066 14 M CA 1.157 56.305 55.300 -0.254 0.000 1.123 14 M CB -0.101 32.434 32.600 -0.108 0.000 1.388 14 M HN 0.044 nan 8.290 nan 0.000 0.425 15 R N -0.117 120.343 120.500 -0.067 0.000 2.092 15 R HA -0.078 4.864 4.340 1.004 0.000 0.231 15 R C 2.071 178.392 176.300 0.035 0.000 1.119 15 R CA 1.323 57.423 56.100 0.001 0.000 0.970 15 R CB -0.946 29.369 30.300 0.026 0.000 0.864 15 R HN 0.343 nan 8.270 nan 0.000 0.440 16 F N 1.016 120.905 119.950 -0.102 0.000 2.134 16 F HA -0.182 4.947 4.527 1.003 0.000 0.299 16 F C 1.888 177.747 175.800 0.098 0.000 1.097 16 F CA 1.203 59.205 58.000 0.003 0.000 1.264 16 F CB -0.248 38.787 39.000 0.058 0.000 1.001 16 F HN -0.172 nan 8.300 nan 0.000 0.479 17 F N 0.628 120.496 119.950 -0.136 0.000 2.171 17 F HA -0.148 4.981 4.527 1.003 0.000 0.300 17 F C 2.743 178.145 175.800 -0.664 0.000 1.090 17 F CA 1.209 59.026 58.000 -0.306 0.000 1.293 17 F CB -1.696 37.266 39.000 -0.063 0.000 1.013 17 F HN -0.042 nan 8.300 nan 0.000 0.486 18 S N 0.319 115.826 115.700 -0.320 0.000 2.368 18 S HA -0.115 4.957 4.470 1.004 0.000 0.224 18 S C 2.402 176.854 174.600 -0.248 0.000 1.029 18 S CA 0.963 58.920 58.200 -0.405 0.000 0.988 18 S CB -0.794 62.370 63.200 -0.060 0.000 0.838 18 S HN 0.330 nan 8.310 nan 0.000 0.462 19 A N 1.165 123.885 122.820 -0.166 0.000 1.902 19 A HA 0.011 4.933 4.320 1.004 0.000 0.217 19 A C 1.779 179.337 177.584 -0.044 0.000 1.181 19 A CA 1.254 53.231 52.037 -0.099 0.000 0.623 19 A CB -0.506 18.454 19.000 -0.066 0.000 0.818 19 A HN 0.389 nan 8.150 nan 0.000 0.443 20 L N -0.612 120.485 121.223 -0.211 0.000 2.612 20 L HA 0.170 5.113 4.340 1.004 0.000 0.230 20 L C 0.741 177.541 176.870 -0.116 0.000 1.140 20 L CA 0.737 55.473 54.840 -0.172 0.000 0.896 20 L CB -0.790 41.032 42.059 -0.396 0.000 1.065 20 L HN 0.608 nan 8.230 nan 0.000 0.447 21 N N 0.605 119.218 118.700 -0.144 0.000 2.818 21 N HA -0.280 5.063 4.740 1.004 0.000 0.250 21 N C -0.093 175.391 175.510 -0.043 0.000 1.108 21 N CA 0.773 53.789 53.050 -0.057 0.000 0.745 21 N CB -1.632 36.922 38.487 0.111 0.000 1.104 21 N HN 0.566 nan 8.380 nan 0.000 0.557 22 H N -1.928 117.122 119.070 -0.034 0.000 2.594 22 H HA -0.200 4.958 4.556 1.004 0.000 0.316 22 H C 0.386 175.644 175.328 -0.116 0.000 1.107 22 H CA 1.522 57.511 56.048 -0.099 0.000 1.133 22 H CB -2.310 27.415 29.762 -0.062 0.000 1.459 22 H HN 0.516 nan 8.280 nan 0.000 0.411 23 T N 0.278 114.798 114.554 -0.056 0.000 2.926 23 T HA 0.240 5.193 4.350 1.004 0.000 0.307 23 T C 1.304 175.959 174.700 -0.076 0.000 1.059 23 T CA 0.346 62.412 62.100 -0.057 0.000 1.122 23 T CB 0.595 69.416 68.868 -0.078 0.000 0.972 23 T HN 0.509 nan 8.240 nan 0.000 0.545 24 S N 2.545 118.211 115.700 -0.057 0.000 2.603 24 S HA 0.218 5.290 4.470 1.004 0.000 0.232 24 S C 1.191 175.764 174.600 -0.045 0.000 1.016 24 S CA -0.566 57.599 58.200 -0.058 0.000 0.976 24 S CB 0.236 63.406 63.200 -0.051 0.000 0.921 24 S HN 0.726 nan 8.310 nan 0.000 0.516 25 E N 1.783 121.956 120.200 -0.045 0.000 2.338 25 E HA 0.092 5.044 4.350 1.004 0.000 0.197 25 E C 0.955 177.533 176.600 -0.037 0.000 1.007 25 E CA 0.632 57.008 56.400 -0.040 0.000 0.849 25 E CB -0.176 29.496 29.700 -0.047 0.000 0.774 25 E HN 0.853 nan 8.360 nan 0.000 0.506 26 I N -3.141 117.406 120.570 -0.038 0.000 3.264 26 I HA 0.414 5.186 4.170 1.004 0.000 0.315 26 I C -0.628 175.476 176.117 -0.023 0.000 1.154 26 I CA -1.298 59.989 61.300 -0.021 0.000 0.962 26 I CB 2.075 40.070 38.000 -0.008 0.000 1.265 26 I HN -0.419 nan 8.210 nan 0.000 0.463 27 D N 2.034 122.435 120.400 0.001 0.000 2.396 27 D HA 0.373 5.615 4.640 1.004 0.000 0.225 27 D C 0.547 176.873 176.300 0.043 0.000 1.121 27 D CA -0.218 53.782 54.000 0.000 0.000 0.853 27 D CB 1.252 42.063 40.800 0.018 0.000 1.043 27 D HN 0.672 nan 8.370 nan 0.000 0.500 28 L N 2.814 124.026 121.223 -0.019 0.000 2.156 28 L HA -0.135 4.807 4.340 1.004 0.000 0.208 28 L C 2.219 179.310 176.870 0.368 0.000 1.095 28 L CA 0.653 55.564 54.840 0.118 0.000 0.770 28 L CB -0.210 41.719 42.059 -0.216 0.000 0.914 28 L HN 0.427 nan 8.230 nan 0.000 0.439 29 Q N 0.276 120.207 119.800 0.219 0.000 2.030 29 Q HA -0.212 4.730 4.340 1.004 0.000 0.204 29 Q C 2.212 178.407 176.000 0.327 0.000 0.986 29 Q CA 2.351 58.385 55.803 0.385 0.000 0.843 29 Q CB -0.640 28.240 28.738 0.237 0.000 0.904 29 Q HN 0.312 nan 8.270 nan 0.000 0.420 30 V N -0.070 119.964 119.914 0.199 0.000 2.343 30 V HA -0.196 4.526 4.120 1.004 0.000 0.247 30 V C 2.099 178.285 176.094 0.153 0.000 1.051 30 V CA 1.874 64.261 62.300 0.145 0.000 1.036 30 V CB -0.537 31.340 31.823 0.089 0.000 0.654 30 V HN 0.527 nan 8.190 nan 0.000 0.451 31 L N -0.063 121.283 121.223 0.204 0.000 1.970 31 L HA -0.140 4.802 4.340 1.004 0.000 0.212 31 L C 2.219 179.183 176.870 0.157 0.000 1.071 31 L CA 2.913 57.879 54.840 0.210 0.000 0.751 31 L CB -1.251 41.005 42.059 0.328 0.000 0.889 31 L HN 0.472 nan 8.230 nan 0.000 0.432 32 F N 0.760 120.775 119.950 0.108 0.000 2.087 32 F HA -0.339 4.790 4.527 1.003 0.000 0.299 32 F C 2.322 178.057 175.800 -0.107 0.000 1.100 32 F CA 2.175 60.096 58.000 -0.132 0.000 1.226 32 F CB -0.583 38.437 39.000 0.032 0.000 0.983 32 F HN 0.290 nan 8.300 nan 0.000 0.479 33 N N 0.574 119.295 118.700 0.035 0.000 2.137 33 N HA -0.194 5.148 4.740 1.004 0.000 0.190 33 N C 1.372 176.780 175.510 -0.169 0.000 1.017 33 N CA 1.750 54.757 53.050 -0.071 0.000 0.859 33 N CB -0.632 37.888 38.487 0.055 0.000 1.002 33 N HN 0.406 nan 8.380 nan 0.000 0.428 34 D N -0.270 120.057 120.400 -0.121 0.000 2.347 34 D HA 0.095 5.337 4.640 1.004 0.000 0.213 34 D C 1.527 177.738 176.300 -0.148 0.000 0.985 34 D CA 0.223 54.156 54.000 -0.111 0.000 0.879 34 D CB 0.391 41.158 40.800 -0.055 0.000 0.919 34 D HN 0.287 nan 8.370 nan 0.000 0.526 35 L N 0.371 121.430 121.223 -0.273 0.000 2.638 35 L HA 0.109 5.051 4.340 1.004 0.000 0.232 35 L C 2.156 178.739 176.870 -0.479 0.000 1.099 35 L CA -0.008 54.646 54.840 -0.310 0.000 0.883 35 L CB 0.159 42.008 42.059 -0.350 0.000 1.136 35 L HN -0.059 nan 8.230 nan 0.000 0.492 36 K N 0.686 120.664 120.400 -0.704 0.000 2.286 36 K HA -0.168 4.754 4.320 1.004 0.000 0.203 36 K C 1.966 178.333 176.600 -0.387 0.000 1.045 36 K CA 1.786 57.603 56.287 -0.782 0.000 0.935 36 K CB -0.413 31.571 32.500 -0.861 0.000 0.737 36 K HN 0.303 nan 8.250 nan 0.000 0.460 37 S N 1.532 117.069 115.700 -0.272 0.000 2.406 37 S HA -0.087 4.985 4.470 1.004 0.000 0.228 37 S C 2.068 176.564 174.600 -0.173 0.000 1.020 37 S CA 0.900 58.997 58.200 -0.172 0.000 0.965 37 S CB -0.619 62.516 63.200 -0.109 0.000 0.798 37 S HN 0.651 nan 8.310 nan 0.000 0.488 38 I N -2.291 118.159 120.570 -0.200 0.000 4.323 38 I HA 0.441 5.213 4.170 1.004 0.000 0.328 38 I C 0.192 176.169 176.117 -0.232 0.000 1.310 38 I CA -0.544 60.616 61.300 -0.233 0.000 1.186 38 I CB -0.037 37.800 38.000 -0.271 0.000 1.130 38 I HN 0.042 nan 8.210 nan 0.000 0.411 39 L N 3.322 124.409 121.223 -0.228 0.000 2.485 39 L HA 0.196 5.138 4.340 1.004 0.000 0.275 39 L C 0.482 177.290 176.870 -0.103 0.000 1.207 39 L CA 0.645 55.384 54.840 -0.167 0.000 0.855 39 L CB 0.659 42.578 42.059 -0.233 0.000 1.114 39 L HN 0.473 nan 8.230 nan 0.000 0.485 40 T N -0.568 113.970 114.554 -0.027 0.000 2.883 40 T HA 0.371 5.323 4.350 1.004 0.000 0.296 40 T C 0.686 175.418 174.700 0.053 0.000 1.117 40 T CA -0.957 61.151 62.100 0.012 0.000 1.006 40 T CB 1.360 70.253 68.868 0.040 0.000 1.191 40 T HN 0.246 nan 8.240 nan 0.000 0.508 41 L N 0.957 122.209 121.223 0.048 0.000 2.079 41 L HA -0.015 4.927 4.340 1.004 0.000 0.210 41 L C 2.302 179.203 176.870 0.052 0.000 1.081 41 L CA 1.791 56.660 54.840 0.047 0.000 0.752 41 L CB -0.803 41.272 42.059 0.027 0.000 0.896 41 L HN 0.735 nan 8.230 nan 0.000 0.433 42 D N -1.045 119.395 120.400 0.067 0.000 2.123 42 D HA -0.163 5.079 4.640 1.004 0.000 0.196 42 D C 2.340 178.730 176.300 0.151 0.000 0.992 42 D CA 1.700 55.753 54.000 0.088 0.000 0.833 42 D CB -0.148 40.713 40.800 0.102 0.000 0.954 42 D HN 0.445 nan 8.370 nan 0.000 0.455 43 S N 0.194 115.996 115.700 0.170 0.000 2.453 43 S HA -0.069 5.003 4.470 1.004 0.000 0.231 43 S C 2.011 176.723 174.600 0.187 0.000 1.005 43 S CA 0.197 58.529 58.200 0.220 0.000 0.949 43 S CB -0.176 63.114 63.200 0.151 0.000 0.774 43 S HN 0.084 nan 8.310 nan 0.000 0.510 44 I N 2.884 123.530 120.570 0.127 0.000 2.226 44 I HA -0.131 4.641 4.170 1.004 0.000 0.245 44 I C 2.763 178.895 176.117 0.026 0.000 1.100 44 I CA 1.573 62.943 61.300 0.117 0.000 1.374 44 I CB -1.687 36.384 38.000 0.119 0.000 1.057 44 I HN 0.559 nan 8.210 nan 0.000 0.413 45 E N 1.162 121.314 120.200 -0.080 0.000 2.187 45 E HA -0.276 4.676 4.350 1.004 0.000 0.199 45 E C 1.438 177.856 176.600 -0.304 0.000 1.004 45 E CA 1.702 57.955 56.400 -0.244 0.000 0.813 45 E CB -0.219 29.237 29.700 -0.406 0.000 0.736 45 E HN 0.638 nan 8.360 nan 0.000 0.468 46 H N -0.863 118.224 119.070 0.029 0.000 2.524 46 H HA 0.211 5.369 4.556 1.003 0.000 0.280 46 H C 0.972 176.335 175.328 0.058 0.000 1.018 46 H CA 0.147 56.214 56.048 0.030 0.000 1.165 46 H CB 0.428 30.204 29.762 0.024 0.000 1.411 46 H HN 0.167 nan 8.280 nan 0.000 0.569 47 L N -0.691 120.606 121.223 0.124 0.000 2.781 47 L HA 0.184 5.126 4.340 1.004 0.000 0.245 47 L C 0.683 177.643 176.870 0.150 0.000 1.118 47 L CA 0.011 54.945 54.840 0.157 0.000 0.918 47 L CB 0.395 42.552 42.059 0.164 0.000 1.246 47 L HN 0.049 nan 8.230 nan 0.000 0.526 48 K N 1.735 122.150 120.400 0.025 0.000 2.230 48 K HA 0.001 4.923 4.320 1.004 0.000 0.253 48 K C 0.353 176.761 176.600 -0.319 0.000 1.008 48 K CA 0.050 56.272 56.287 -0.109 0.000 0.910 48 K CB 0.633 33.050 32.500 -0.138 0.000 0.994 48 K HN 0.021 nan 8.250 nan 0.000 0.495 49 E N -0.153 119.556 120.200 -0.819 0.000 2.481 49 E HA -0.110 4.842 4.350 1.004 0.000 0.263 49 E C 0.626 176.977 176.600 -0.414 0.000 0.992 49 E CA 1.065 56.783 56.400 -1.137 0.000 0.938 49 E CB 0.133 29.274 29.700 -0.932 0.000 0.933 49 E HN 0.740 nan 8.360 nan 0.000 0.453 50 G N 2.835 111.496 108.800 -0.232 0.000 2.213 50 G HA2 -0.305 4.257 3.960 1.004 0.000 0.236 50 G HA3 -0.305 4.257 3.960 1.004 0.000 0.236 50 G C 0.168 175.055 174.900 -0.022 0.000 0.991 50 G CA 0.326 45.376 45.100 -0.083 0.000 0.629 50 G HN 0.920 nan 8.290 nan 0.000 0.517 51 S N -0.437 115.264 115.700 0.001 0.000 2.672 51 S HA 0.690 5.762 4.470 1.004 0.000 0.276 51 S C 1.429 176.064 174.600 0.058 0.000 1.207 51 S CA 0.084 58.315 58.200 0.052 0.000 1.002 51 S CB 2.212 65.469 63.200 0.094 0.000 0.998 51 S HN 0.708 nan 8.310 nan 0.000 0.542 52 V N 1.804 121.702 119.914 -0.027 0.000 2.358 52 V HA -0.123 4.599 4.120 1.004 0.000 0.246 52 V C 2.950 179.034 176.094 -0.018 0.000 1.047 52 V CA 2.311 64.494 62.300 -0.195 0.000 1.035 52 V CB -1.680 29.945 31.823 -0.331 0.000 0.658 52 V HN 1.019 nan 8.190 nan 0.000 0.452 53 A N -0.863 122.035 122.820 0.130 0.000 1.883 53 A HA -0.294 4.628 4.320 1.004 0.000 0.217 53 A C 2.160 179.873 177.584 0.216 0.000 1.186 53 A CA 2.201 54.413 52.037 0.292 0.000 0.624 53 A CB -0.854 18.318 19.000 0.287 0.000 0.822 53 A HN 0.636 nan 8.150 nan 0.000 0.444 54 Y N 0.577 120.918 120.300 0.067 0.000 2.128 54 Y HA -0.179 4.973 4.550 1.003 0.000 0.284 54 Y C 2.681 178.587 175.900 0.011 0.000 1.154 54 Y CA 1.702 59.818 58.100 0.027 0.000 1.149 54 Y CB -0.442 38.023 38.460 0.008 0.000 0.976 54 Y HN 0.318 nan 8.280 nan 0.000 0.505 55 A N 0.206 123.146 122.820 0.200 0.000 1.933 55 A HA -0.167 4.755 4.320 1.004 0.000 0.218 55 A C 2.289 179.894 177.584 0.035 0.000 1.175 55 A CA 1.865 53.998 52.037 0.160 0.000 0.628 55 A CB -1.092 18.103 19.000 0.325 0.000 0.814 55 A HN 0.599 nan 8.150 nan 0.000 0.444 56 I N -0.432 120.123 120.570 -0.025 0.000 2.179 56 I HA -0.270 4.502 4.170 1.004 0.000 0.242 56 I C 2.307 178.181 176.117 -0.406 0.000 1.088 56 I CA 1.405 62.562 61.300 -0.239 0.000 1.357 56 I CB -0.313 37.358 38.000 -0.549 0.000 1.051 56 I HN 0.308 nan 8.210 nan 0.000 0.409 57 I N 0.331 120.687 120.570 -0.357 0.000 2.208 57 I HA -0.319 4.453 4.170 1.004 0.000 0.245 57 I C 2.564 178.498 176.117 -0.304 0.000 1.097 57 I CA 1.181 62.292 61.300 -0.315 0.000 1.363 57 I CB -0.385 37.484 38.000 -0.218 0.000 1.051 57 I HN 0.331 nan 8.210 nan 0.000 0.413 58 Q N 0.108 119.712 119.800 -0.328 0.000 2.170 58 Q HA -0.244 4.698 4.340 1.004 0.000 0.203 58 Q C 1.980 177.877 176.000 -0.172 0.000 0.976 58 Q CA 1.349 56.996 55.803 -0.261 0.000 0.858 58 Q CB -0.352 28.247 28.738 -0.233 0.000 0.907 58 Q HN 0.471 nan 8.270 nan 0.000 0.433 59 E N 0.667 120.766 120.200 -0.169 0.000 2.170 59 E HA -0.003 4.949 4.350 1.004 0.000 0.191 59 E C 1.910 178.407 176.600 -0.172 0.000 0.981 59 E CA 0.429 56.746 56.400 -0.138 0.000 0.830 59 E CB -0.125 29.508 29.700 -0.112 0.000 0.775 59 E HN 0.286 nan 8.360 nan 0.000 0.470 60 L N -0.094 120.975 121.223 -0.256 0.000 2.141 60 L HA -0.108 4.834 4.340 1.004 0.000 0.209 60 L C 1.903 178.675 176.870 -0.163 0.000 1.094 60 L CA 0.202 54.886 54.840 -0.260 0.000 0.763 60 L CB -0.323 41.509 42.059 -0.378 0.000 0.908 60 L HN 0.222 nan 8.230 nan 0.000 0.437 61 L N 0.029 121.160 121.223 -0.153 0.000 2.187 61 L HA -0.192 4.750 4.340 1.004 0.000 0.213 61 L C 2.188 179.008 176.870 -0.083 0.000 1.100 61 L CA 1.681 56.453 54.840 -0.112 0.000 0.765 61 L CB -0.779 41.207 42.059 -0.122 0.000 0.904 61 L HN 0.191 nan 8.230 nan 0.000 0.437 62 K N -0.455 119.895 120.400 -0.083 0.000 2.404 62 K HA 0.177 5.099 4.320 1.004 0.000 0.194 62 K C 0.402 176.973 176.600 -0.048 0.000 1.023 62 K CA 0.125 56.377 56.287 -0.058 0.000 1.094 62 K CB 0.269 32.738 32.500 -0.052 0.000 0.841 62 K HN 0.456 nan 8.250 nan 0.000 0.523 63 Q N 0.345 120.111 119.800 -0.056 0.000 2.306 63 Q HA 0.226 5.168 4.340 1.004 0.000 0.269 63 Q C -0.784 175.198 176.000 -0.031 0.000 1.053 63 Q CA -0.996 54.784 55.803 -0.039 0.000 0.879 63 Q CB 1.213 29.928 28.738 -0.039 0.000 1.344 63 Q HN -0.007 nan 8.270 nan 0.000 0.464 64 D N 1.007 121.397 120.400 -0.016 0.000 2.382 64 D HA 0.013 5.255 4.640 1.004 0.000 0.240 64 D C -0.067 176.228 176.300 -0.008 0.000 1.146 64 D CA 0.564 54.558 54.000 -0.010 0.000 0.897 64 D CB 0.423 41.222 40.800 -0.001 0.000 1.197 64 D HN 0.572 nan 8.370 nan 0.000 0.432 65 D N -0.436 119.961 120.400 -0.004 0.000 3.017 65 D HA -0.222 5.020 4.640 1.004 0.000 0.220 65 D C 1.131 177.429 176.300 -0.004 0.000 1.141 65 D CA 0.854 54.856 54.000 0.003 0.000 0.848 65 D CB -0.975 39.834 40.800 0.014 0.000 1.102 65 D HN 0.405 nan 8.370 nan 0.000 0.427 66 A N -0.250 122.559 122.820 -0.019 0.000 1.892 66 A HA -0.268 4.654 4.320 1.004 0.000 0.218 66 A C 2.020 179.598 177.584 -0.011 0.000 1.188 66 A CA 2.495 54.512 52.037 -0.034 0.000 0.631 66 A CB -0.498 18.475 19.000 -0.045 0.000 0.822 66 A HN 0.438 nan 8.150 nan 0.000 0.447 67 Q N 0.244 120.047 119.800 0.004 0.000 2.045 67 Q HA -0.233 4.709 4.340 1.004 0.000 0.206 67 Q C 1.785 177.807 176.000 0.036 0.000 0.991 67 Q CA 2.647 58.465 55.803 0.024 0.000 0.851 67 Q CB -0.498 28.254 28.738 0.024 0.000 0.911 67 Q HN 0.838 nan 8.270 nan 0.000 0.418 68 N N -0.947 117.771 118.700 0.030 0.000 2.142 68 N HA -0.116 5.226 4.740 1.004 0.000 0.186 68 N C 1.506 177.050 175.510 0.057 0.000 1.023 68 N CA 1.049 54.123 53.050 0.040 0.000 0.852 68 N CB 0.013 38.520 38.487 0.034 0.000 0.998 68 N HN 0.072 nan 8.380 nan 0.000 0.424 69 K N 1.047 121.474 120.400 0.044 0.000 2.097 69 K HA -0.023 4.899 4.320 1.004 0.000 0.205 69 K C 1.961 178.601 176.600 0.068 0.000 1.050 69 K CA 0.776 57.096 56.287 0.055 0.000 0.938 69 K CB -0.340 32.157 32.500 -0.005 0.000 0.718 69 K HN 0.313 nan 8.250 nan 0.000 0.442 70 I N 1.183 121.779 120.570 0.043 0.000 2.315 70 I HA -0.273 4.499 4.170 1.004 0.000 0.248 70 I C 2.862 179.081 176.117 0.170 0.000 1.117 70 I CA 1.074 62.435 61.300 0.101 0.000 1.404 70 I CB -0.167 37.867 38.000 0.057 0.000 1.071 70 I HN 0.271 nan 8.210 nan 0.000 0.419 71 Q N 0.691 120.565 119.800 0.123 0.000 2.079 71 Q HA -0.214 4.728 4.340 1.004 0.000 0.200 71 Q C 2.368 178.438 176.000 0.117 0.000 0.974 71 Q CA 2.245 58.114 55.803 0.111 0.000 0.840 71 Q CB -0.001 28.780 28.738 0.072 0.000 0.898 71 Q HN 0.534 nan 8.270 nan 0.000 0.430 72 S N -0.233 115.543 115.700 0.127 0.000 2.383 72 S HA -0.159 4.913 4.470 1.004 0.000 0.227 72 S C 1.781 176.505 174.600 0.207 0.000 1.026 72 S CA 0.818 59.108 58.200 0.151 0.000 0.981 72 S CB -0.737 62.551 63.200 0.146 0.000 0.818 72 S HN 0.536 nan 8.310 nan 0.000 0.472 73 F N 2.535 122.529 119.950 0.074 0.000 2.046 73 F HA -0.017 5.112 4.527 1.003 0.000 0.297 73 F C 1.903 177.684 175.800 -0.031 0.000 1.123 73 F CA 1.250 59.239 58.000 -0.018 0.000 1.199 73 F CB -0.922 37.986 39.000 -0.154 0.000 0.972 73 F HN 0.189 nan 8.300 nan 0.000 0.474 74 L N 0.637 121.688 121.223 -0.287 0.000 2.013 74 L HA -0.278 4.664 4.340 1.004 0.000 0.212 74 L C 2.768 179.511 176.870 -0.211 0.000 1.073 74 L CA 2.264 56.901 54.840 -0.338 0.000 0.753 74 L CB -1.768 40.293 42.059 0.002 0.000 0.890 74 L HN 0.420 nan 8.230 nan 0.000 0.432 75 H N -0.854 118.139 119.070 -0.128 0.000 2.353 75 H HA -0.110 5.048 4.556 1.004 0.000 0.300 75 H C 1.942 177.226 175.328 -0.073 0.000 1.090 75 H CA 1.654 57.648 56.048 -0.089 0.000 1.327 75 H CB 0.079 29.811 29.762 -0.049 0.000 1.383 75 H HN 0.363 nan 8.280 nan 0.000 0.508 76 G N 0.167 109.004 108.800 0.063 0.000 2.404 76 G HA2 -0.212 4.350 3.960 1.004 0.000 0.215 76 G HA3 -0.212 4.350 3.960 1.004 0.000 0.215 76 G C 1.985 176.891 174.900 0.010 0.000 1.174 76 G CA 1.184 46.337 45.100 0.088 0.000 0.780 76 G HN 0.555 nan 8.290 nan 0.000 0.537 77 A N 0.786 123.522 122.820 -0.140 0.000 1.883 77 A HA -0.007 4.915 4.320 1.004 0.000 0.217 77 A C 2.425 179.926 177.584 -0.139 0.000 1.186 77 A CA 1.479 53.411 52.037 -0.176 0.000 0.624 77 A CB -0.408 18.164 19.000 -0.713 0.000 0.822 77 A HN 0.381 nan 8.150 nan 0.000 0.444 78 I N -0.832 119.621 120.570 -0.196 0.000 2.133 78 I HA -0.251 4.521 4.170 1.004 0.000 0.238 78 I C 2.582 178.632 176.117 -0.111 0.000 1.074 78 I CA 1.897 63.117 61.300 -0.134 0.000 1.342 78 I CB -0.296 37.609 38.000 -0.159 0.000 1.053 78 I HN 0.342 nan 8.210 nan 0.000 0.404 79 K N 0.764 121.038 120.400 -0.211 0.000 2.032 79 K HA -0.188 4.734 4.320 1.004 0.000 0.209 79 K C 1.728 178.290 176.600 -0.062 0.000 1.048 79 K CA 1.781 57.959 56.287 -0.182 0.000 0.927 79 K CB 0.038 32.358 32.500 -0.301 0.000 0.712 79 K HN 0.285 nan 8.250 nan 0.000 0.441 80 N N -0.760 117.910 118.700 -0.050 0.000 2.388 80 N HA -0.015 5.327 4.740 1.004 0.000 0.176 80 N C 1.293 176.791 175.510 -0.019 0.000 1.062 80 N CA 0.610 53.647 53.050 -0.022 0.000 0.895 80 N CB 0.864 39.344 38.487 -0.012 0.000 1.018 80 N HN 0.030 nan 8.380 nan 0.000 0.456 81 V N 0.199 120.103 119.914 -0.016 0.000 3.054 81 V HA 0.206 4.928 4.120 1.004 0.000 0.227 81 V C 2.001 178.064 176.094 -0.053 0.000 1.252 81 V CA 0.045 62.330 62.300 -0.025 0.000 1.279 81 V CB 0.178 32.007 31.823 0.009 0.000 1.118 81 V HN -0.053 nan 8.190 nan 0.000 0.504 82 I N 0.380 120.918 120.570 -0.053 0.000 2.202 82 I HA -0.213 4.559 4.170 1.004 0.000 0.242 82 I C 2.565 178.642 176.117 -0.067 0.000 1.091 82 I CA 2.133 63.377 61.300 -0.094 0.000 1.368 82 I CB -0.366 37.606 38.000 -0.045 0.000 1.058 82 I HN 0.447 nan 8.210 nan 0.000 0.410 83 H N 1.716 120.736 119.070 -0.085 0.000 2.326 83 H HA -0.079 5.079 4.556 1.004 0.000 0.301 83 H C -0.752 174.541 175.328 -0.058 0.000 1.081 83 H CA 1.799 57.808 56.048 -0.065 0.000 1.334 83 H CB -1.141 28.580 29.762 -0.069 0.000 1.385 83 H HN 0.095 nan 8.280 nan 0.000 0.504 84 P HA -0.124 nan 4.420 nan 0.000 0.216 84 P C 1.685 178.901 177.300 -0.140 0.000 1.150 84 P CA 1.995 65.022 63.100 -0.123 0.000 0.837 84 P CB -0.446 31.226 31.700 -0.047 0.000 0.786 85 G N 0.273 108.996 108.800 -0.128 0.000 2.433 85 G HA2 -0.212 4.350 3.960 1.004 0.000 0.216 85 G HA3 -0.212 4.350 3.960 1.004 0.000 0.216 85 G C 1.767 176.582 174.900 -0.142 0.000 1.186 85 G CA 0.829 45.855 45.100 -0.123 0.000 0.779 85 G HN 0.145 nan 8.290 nan 0.000 0.543 86 V N 1.727 121.529 119.914 -0.185 0.000 2.282 86 V HA -0.199 4.523 4.120 1.004 0.000 0.249 86 V C 2.810 178.822 176.094 -0.136 0.000 1.057 86 V CA 1.441 63.660 62.300 -0.135 0.000 1.032 86 V CB -0.355 31.411 31.823 -0.096 0.000 0.645 86 V HN 0.318 nan 8.190 nan 0.000 0.447 87 I N -0.419 120.016 120.570 -0.226 0.000 2.361 87 I HA -0.190 4.582 4.170 1.004 0.000 0.251 87 I C 2.328 178.393 176.117 -0.087 0.000 1.133 87 I CA 1.560 62.753 61.300 -0.178 0.000 1.413 87 I CB -1.044 36.811 38.000 -0.243 0.000 1.073 87 I HN 0.378 nan 8.210 nan 0.000 0.424 88 K N 0.478 120.835 120.400 -0.072 0.000 2.432 88 K HA 0.029 4.952 4.320 1.004 0.000 0.196 88 K C 1.155 177.764 176.600 0.014 0.000 1.038 88 K CA 0.728 57.003 56.287 -0.020 0.000 0.986 88 K CB 0.086 32.578 32.500 -0.013 0.000 0.782 88 K HN 0.478 nan 8.250 nan 0.000 0.485 89 G N 1.374 110.173 108.800 -0.002 0.000 2.132 89 G HA2 -0.208 4.354 3.960 1.004 0.000 0.228 89 G HA3 -0.208 4.354 3.960 1.004 0.000 0.228 89 G C -0.251 174.672 174.900 0.038 0.000 1.000 89 G CA -0.386 44.728 45.100 0.023 0.000 0.693 89 G HN 0.039 nan 8.290 nan 0.000 0.515 90 L N 1.809 123.042 121.223 0.017 0.000 2.461 90 L HA 0.492 5.435 4.340 1.004 0.000 0.272 90 L C 1.734 178.614 176.870 0.018 0.000 1.197 90 L CA 0.777 55.630 54.840 0.022 0.000 0.836 90 L CB 0.546 42.600 42.059 -0.008 0.000 1.105 90 L HN 0.499 nan 8.230 nan 0.000 0.477 91 T N 0.401 114.969 114.554 0.022 0.000 2.816 91 T HA 0.299 5.251 4.350 1.004 0.000 0.282 91 T C -1.848 172.887 174.700 0.059 0.000 0.993 91 T CA -1.530 60.588 62.100 0.029 0.000 0.994 91 T CB 0.749 69.609 68.868 -0.013 0.000 1.025 91 T HN 0.446 nan 8.240 nan 0.000 0.529 92 P HA -0.064 nan 4.420 nan 0.000 0.218 92 P C 1.048 178.393 177.300 0.074 0.000 1.148 92 P CA 0.975 64.186 63.100 0.185 0.000 0.822 92 P CB 0.010 31.773 31.700 0.105 0.000 0.784 93 D N -0.506 119.892 120.400 -0.005 0.000 2.117 93 D HA -0.131 5.111 4.640 1.004 0.000 0.198 93 D C 1.890 178.159 176.300 -0.052 0.000 0.982 93 D CA 1.087 55.052 54.000 -0.058 0.000 0.828 93 D CB -0.372 40.338 40.800 -0.150 0.000 0.967 93 D HN 0.311 nan 8.370 nan 0.000 0.464 94 E N 0.318 120.480 120.200 -0.063 0.000 2.072 94 E HA -0.091 4.862 4.350 1.004 0.000 0.191 94 E C 2.356 179.002 176.600 0.077 0.000 0.985 94 E CA 0.422 56.828 56.400 0.010 0.000 0.801 94 E CB 0.026 29.750 29.700 0.040 0.000 0.750 94 E HN 0.286 nan 8.360 nan 0.000 0.452 95 I N 1.272 121.841 120.570 -0.001 0.000 2.226 95 I HA -0.301 4.471 4.170 1.004 0.000 0.245 95 I C 1.983 178.097 176.117 -0.006 0.000 1.100 95 I CA 1.189 62.451 61.300 -0.063 0.000 1.374 95 I CB -0.413 37.422 38.000 -0.276 0.000 1.057 95 I HN 0.148 nan 8.210 nan 0.000 0.413 96 N N 0.158 118.879 118.700 0.034 0.000 2.069 96 N HA -0.269 5.073 4.740 1.004 0.000 0.191 96 N C 1.845 177.381 175.510 0.043 0.000 1.031 96 N CA 1.460 54.527 53.050 0.028 0.000 0.852 96 N CB -0.238 38.264 38.487 0.025 0.000 1.018 96 N HN 0.509 nan 8.380 nan 0.000 0.423 97 W N 2.172 123.423 121.300 -0.080 0.000 2.363 97 W HA -0.127 5.138 4.660 1.007 0.000 0.296 97 W C 1.099 177.590 176.519 -0.048 0.000 1.212 97 W CA 1.030 58.330 57.345 -0.074 0.000 1.260 97 W CB -0.189 29.256 29.460 -0.024 0.000 1.131 97 W HN 0.133 nan 8.180 nan 0.000 0.530 98 N N 0.701 119.330 118.700 -0.119 0.000 2.223 98 N HA -0.156 5.186 4.740 1.004 0.000 0.185 98 N C 1.713 177.118 175.510 -0.174 0.000 1.016 98 N CA 1.790 54.716 53.050 -0.208 0.000 0.863 98 N CB -0.865 37.587 38.487 -0.059 0.000 0.983 98 N HN 0.062 nan 8.380 nan 0.000 0.429 99 V N 1.172 121.045 119.914 -0.069 0.000 2.307 99 V HA -0.134 4.588 4.120 1.004 0.000 0.245 99 V C 2.349 178.501 176.094 0.096 0.000 1.045 99 V CA 1.713 64.069 62.300 0.093 0.000 1.024 99 V CB -0.937 30.954 31.823 0.114 0.000 0.651 99 V HN 0.283 nan 8.190 nan 0.000 0.449 100 A N 0.031 122.770 122.820 -0.135 0.000 1.902 100 A HA -0.270 4.652 4.320 1.004 0.000 0.217 100 A C 2.317 179.794 177.584 -0.178 0.000 1.181 100 A CA 2.240 54.191 52.037 -0.144 0.000 0.623 100 A CB -0.470 18.323 19.000 -0.345 0.000 0.818 100 A HN 0.548 nan 8.150 nan 0.000 0.443 101 K N -0.329 119.720 120.400 -0.584 0.000 2.148 101 K HA 0.027 4.949 4.320 1.004 0.000 0.204 101 K C 1.908 178.370 176.600 -0.230 0.000 1.050 101 K CA 1.147 57.124 56.287 -0.516 0.000 0.942 101 K CB -0.283 31.685 32.500 -0.887 0.000 0.724 101 K HN 0.337 nan 8.250 nan 0.000 0.446 102 A N -0.212 122.475 122.820 -0.222 0.000 2.067 102 A HA -0.019 4.903 4.320 1.004 0.000 0.217 102 A C 0.131 177.385 177.584 -0.550 0.000 1.156 102 A CA 0.654 52.480 52.037 -0.350 0.000 0.683 102 A CB -0.098 18.682 19.000 -0.367 0.000 0.808 102 A HN 0.389 nan 8.150 nan 0.000 0.455 103 Y N -0.778 119.553 120.300 0.051 0.000 2.470 103 Y HA 0.269 5.421 4.550 1.003 0.000 0.352 103 Y C -1.834 174.116 175.900 0.083 0.000 0.967 103 Y CA -2.051 56.093 58.100 0.073 0.000 1.121 103 Y CB 0.858 39.472 38.460 0.257 0.000 1.149 103 Y HN 0.202 nan 8.280 nan 0.000 0.641 104 P HA -0.138 nan 4.420 nan 0.000 0.222 104 P C 1.141 178.468 177.300 0.046 0.000 1.147 104 P CA 1.230 64.394 63.100 0.107 0.000 0.790 104 P CB 0.639 32.330 31.700 -0.015 0.000 0.780 105 K N -1.327 119.068 120.400 -0.008 0.000 2.314 105 K HA 0.031 4.953 4.320 1.004 0.000 0.198 105 K C 1.944 178.595 176.600 0.085 0.000 1.045 105 K CA 0.733 57.004 56.287 -0.026 0.000 0.988 105 K CB -0.819 31.620 32.500 -0.102 0.000 0.783 105 K HN 0.191 nan 8.250 nan 0.000 0.484 106 Y N -1.182 119.178 120.300 0.099 0.000 2.395 106 Y HA -0.012 5.140 4.550 1.003 0.000 0.293 106 Y C 0.356 176.321 175.900 0.108 0.000 1.123 106 Y CA 0.089 58.215 58.100 0.043 0.000 1.227 106 Y CB -0.067 38.362 38.460 -0.052 0.000 1.012 106 Y HN -0.059 nan 8.280 nan 0.000 0.552 107 Y N 1.134 121.558 120.300 0.207 0.000 2.628 107 Y HA 0.306 5.458 4.550 1.003 0.000 0.354 107 Y C -0.491 175.548 175.900 0.231 0.000 1.061 107 Y CA -1.257 56.956 58.100 0.189 0.000 1.251 107 Y CB 0.091 38.670 38.460 0.198 0.000 1.098 107 Y HN -0.032 nan 8.280 nan 0.000 0.626 108 E N 5.377 125.544 120.200 -0.056 0.000 2.452 108 E HA 0.075 5.027 4.350 1.004 0.000 0.261 108 E C -0.446 176.163 176.600 0.015 0.000 0.987 108 E CA 0.556 56.914 56.400 -0.069 0.000 0.926 108 E CB 0.334 29.976 29.700 -0.096 0.000 0.934 108 E HN 0.600 nan 8.360 nan 0.000 0.452 109 H N 0.521 119.652 119.070 0.102 0.000 3.017 109 H HA 0.328 5.486 4.556 1.003 0.000 0.346 109 H C -0.647 174.796 175.328 0.191 0.000 1.286 109 H CA -1.037 55.124 56.048 0.188 0.000 1.120 109 H CB 0.834 30.820 29.762 0.373 0.000 1.860 109 H HN 0.306 nan 8.280 nan 0.000 0.542 110 E N 1.162 121.555 120.200 0.322 0.000 2.408 110 E HA 0.047 4.999 4.350 1.004 0.000 0.259 110 E C -0.050 176.791 176.600 0.402 0.000 1.110 110 E CA -0.152 56.398 56.400 0.251 0.000 0.929 110 E CB 1.139 30.947 29.700 0.181 0.000 0.971 110 E HN 0.502 nan 8.360 nan 0.000 0.438 111 E N 0.633 121.006 120.200 0.288 0.000 2.418 111 E HA -0.056 4.896 4.350 1.004 0.000 0.261 111 E C -0.234 176.571 176.600 0.342 0.000 1.070 111 E CA 0.051 56.661 56.400 0.350 0.000 0.931 111 E CB 0.337 30.166 29.700 0.215 0.000 0.954 111 E HN 0.232 nan 8.360 nan 0.000 0.439 112 F N 4.729 124.820 119.950 0.234 0.000 2.502 112 F HA 0.154 5.284 4.527 1.005 0.000 0.371 112 F C -1.827 174.005 175.800 0.053 0.000 1.083 112 F CA -2.160 55.861 58.000 0.034 0.000 1.174 112 F CB 0.284 39.337 39.000 0.088 0.000 1.096 112 F HN 0.205 nan 8.300 nan 0.000 0.545 113 P HA 0.068 nan 4.420 nan 0.000 0.274 113 P C -1.123 175.916 177.300 -0.435 0.000 1.237 113 P CA -0.402 62.510 63.100 -0.315 0.000 0.793 113 P CB 0.761 32.327 31.700 -0.224 0.000 0.977 114 D N 0.893 121.188 120.400 -0.176 0.000 2.338 114 D HA 0.206 5.448 4.640 1.004 0.000 0.255 114 D C -0.931 175.334 176.300 -0.059 0.000 1.237 114 D CA -0.015 53.931 54.000 -0.091 0.000 0.883 114 D CB 0.004 40.801 40.800 -0.005 0.000 1.087 114 D HN -0.066 nan 8.370 nan 0.000 0.485 115 V N 3.901 123.791 119.914 -0.039 0.000 2.531 115 V HA 0.345 5.068 4.120 1.004 0.000 0.301 115 V C 0.233 176.438 176.094 0.186 0.000 1.034 115 V CA -0.824 61.522 62.300 0.076 0.000 0.865 115 V CB 2.049 33.888 31.823 0.027 0.000 0.995 115 V HN 0.525 nan 8.190 nan 0.000 0.424 116 T N 5.379 120.085 114.554 0.254 0.000 2.767 116 T HA 0.581 5.533 4.350 1.004 0.000 0.288 116 T C -0.837 174.147 174.700 0.474 0.000 0.963 116 T CA -0.057 62.213 62.100 0.284 0.000 1.019 116 T CB 0.644 69.610 68.868 0.163 0.000 0.923 116 T HN 0.456 nan 8.240 nan 0.000 0.468 117 F N 2.303 122.418 119.950 0.274 0.000 2.577 117 F HA 0.533 5.674 4.527 1.024 0.000 0.344 117 F C 0.788 176.742 175.800 0.257 0.000 1.145 117 F CA -0.537 57.636 58.000 0.289 0.000 0.996 117 F CB 0.811 39.921 39.000 0.182 0.000 1.248 117 F HN 0.821 nan 8.300 nan 0.000 0.447 118 G N 3.445 112.164 108.800 -0.135 0.000 2.273 118 G HA2 0.047 4.609 3.960 1.004 0.000 0.280 118 G HA3 0.047 4.609 3.960 1.004 0.000 0.280 118 G C 1.127 176.109 174.900 0.136 0.000 1.047 118 G CA 0.659 45.708 45.100 -0.086 0.000 0.869 118 G HN 2.208 nan 8.290 nan 0.000 0.502 119 G N -2.357 106.502 108.800 0.097 0.000 2.179 119 G HA2 -0.226 4.336 3.960 1.004 0.000 0.260 119 G HA3 -0.226 4.336 3.960 1.004 0.000 0.260 119 G C 0.312 175.200 174.900 -0.020 0.000 0.977 119 G CA 0.561 45.676 45.100 0.025 0.000 0.641 119 G HN 1.235 nan 8.290 nan 0.000 0.533 120 F N 1.060 121.074 119.950 0.107 0.000 2.421 120 F HA 0.531 5.657 4.527 0.997 0.000 0.337 120 F C 0.766 176.667 175.800 0.169 0.000 1.105 120 F CA -0.727 57.357 58.000 0.140 0.000 1.049 120 F CB 1.512 40.602 39.000 0.150 0.000 1.139 120 F HN -0.019 nan 8.300 nan 0.000 0.479 121 K N 3.546 124.118 120.400 0.286 0.000 2.383 121 K HA 0.286 5.208 4.320 1.004 0.000 0.286 121 K C -0.751 176.031 176.600 0.304 0.000 1.051 121 K CA -0.356 56.079 56.287 0.246 0.000 0.974 121 K CB 0.519 33.125 32.500 0.177 0.000 0.968 121 K HN 0.473 nan 8.250 nan 0.000 0.475 122 V N 5.633 125.706 119.914 0.266 0.000 2.599 122 V HA 0.006 4.728 4.120 1.004 0.000 0.300 122 V C 0.679 176.953 176.094 0.301 0.000 1.034 122 V CA 0.318 62.769 62.300 0.250 0.000 1.115 122 V CB 0.313 32.247 31.823 0.185 0.000 0.934 122 V HN 0.791 nan 8.190 nan 0.000 0.485 123 R N 3.123 123.731 120.500 0.179 0.000 2.540 123 R HA 0.376 5.318 4.340 1.004 0.000 0.287 123 R C 0.095 176.078 176.300 -0.528 0.000 0.980 123 R CA -0.641 55.465 56.100 0.012 0.000 0.966 123 R CB 1.143 31.488 30.300 0.074 0.000 1.106 123 R HN 0.872 nan 8.270 nan 0.000 0.480 124 D N -0.035 119.893 120.400 -0.786 0.000 2.427 124 D HA -0.056 5.186 4.640 1.004 0.000 0.224 124 D C 0.568 176.613 176.300 -0.425 0.000 1.157 124 D CA -0.050 53.278 54.000 -1.121 0.000 0.828 124 D CB 0.260 40.345 40.800 -1.192 0.000 0.974 124 D HN 0.412 nan 8.370 nan 0.000 0.498 125 S N 0.036 115.567 115.700 -0.280 0.000 2.558 125 S HA -0.022 5.050 4.470 1.004 0.000 0.217 125 S C 0.608 175.164 174.600 -0.075 0.000 0.975 125 S CA -0.032 58.089 58.200 -0.131 0.000 0.912 125 S CB -0.809 62.320 63.200 -0.117 0.000 0.776 125 S HN 0.333 nan 8.310 nan 0.000 0.526 126 N N 1.695 120.367 118.700 -0.046 0.000 2.741 126 N HA -0.237 5.106 4.740 1.004 0.000 0.251 126 N C 0.776 176.294 175.510 0.015 0.000 1.112 126 N CA 0.949 54.038 53.050 0.065 0.000 0.750 126 N CB -1.440 37.100 38.487 0.088 0.000 1.119 126 N HN 0.910 nan 8.380 nan 0.000 0.561 127 E N 0.102 120.238 120.200 -0.107 0.000 2.358 127 E HA -0.095 4.857 4.350 1.004 0.000 0.195 127 E C -0.260 176.135 176.600 -0.341 0.000 1.010 127 E CA 0.398 56.641 56.400 -0.262 0.000 0.856 127 E CB 0.015 29.471 29.700 -0.407 0.000 0.795 127 E HN 0.340 nan 8.360 nan 0.000 0.504 128 F N 2.335 122.285 119.950 -0.000 0.000 2.424 128 F HA 0.351 5.483 4.527 1.008 0.000 0.356 128 F C 0.411 176.119 175.800 -0.153 0.000 1.110 128 F CA -0.505 57.424 58.000 -0.118 0.000 1.161 128 F CB 1.147 40.087 39.000 -0.101 0.000 1.115 128 F HN -0.279 nan 8.300 nan 0.000 0.507 129 K N 3.966 124.273 120.400 -0.155 0.000 2.164 129 K HA 0.657 5.579 4.320 1.004 0.000 0.258 129 K C -1.397 175.020 176.600 -0.305 0.000 0.951 129 K CA -0.626 55.617 56.287 -0.074 0.000 0.844 129 K CB 1.615 34.115 32.500 0.000 0.000 1.099 129 K HN 0.391 nan 8.250 nan 0.000 0.435 130 F N 1.257 121.309 119.950 0.171 0.000 2.556 130 F HA 0.374 5.502 4.527 1.001 0.000 0.314 130 F C -0.044 175.908 175.800 0.253 0.000 1.106 130 F CA -1.121 56.998 58.000 0.199 0.000 0.911 130 F CB 1.777 40.887 39.000 0.183 0.000 1.190 130 F HN 0.111 nan 8.300 nan 0.000 0.448 131 K N 0.655 121.312 120.400 0.428 0.000 2.201 131 K HA 0.305 5.227 4.320 1.004 0.000 0.278 131 K C 0.706 177.586 176.600 0.466 0.000 1.027 131 K CA -0.244 56.264 56.287 0.367 0.000 0.909 131 K CB 1.370 34.018 32.500 0.246 0.000 1.062 131 K HN 0.791 nan 8.250 nan 0.000 0.465 132 T N -2.023 112.740 114.554 0.349 0.000 3.060 132 T HA -0.052 4.900 4.350 1.004 0.000 0.249 132 T C 0.877 175.588 174.700 0.019 0.000 1.079 132 T CA 0.120 62.314 62.100 0.156 0.000 1.013 132 T CB -0.138 68.805 68.868 0.124 0.000 0.975 132 T HN 0.562 nan 8.240 nan 0.000 0.518 133 N N 1.195 119.912 118.700 0.029 0.000 2.236 133 N HA 0.183 5.526 4.740 1.004 0.000 0.196 133 N C -0.057 175.330 175.510 -0.205 0.000 1.114 133 N CA -0.392 52.486 53.050 -0.287 0.000 0.859 133 N CB -0.043 38.260 38.487 -0.307 0.000 0.982 133 N HN 0.461 nan 8.380 nan 0.000 0.493 134 I N 1.056 121.617 120.570 -0.015 0.000 2.362 134 I HA 0.278 5.050 4.170 1.004 0.000 0.289 134 I C -0.739 175.454 176.117 0.126 0.000 0.994 134 I CA -0.599 60.722 61.300 0.034 0.000 1.158 134 I CB 1.395 39.443 38.000 0.080 0.000 1.315 134 I HN -0.133 nan 8.210 nan 0.000 0.451 135 Q N 4.675 124.520 119.800 0.074 0.000 2.304 135 Q HA 0.535 5.478 4.340 1.004 0.000 0.270 135 Q C -1.154 174.901 176.000 0.091 0.000 1.035 135 Q CA -0.748 55.130 55.803 0.125 0.000 0.781 135 Q CB 2.965 31.764 28.738 0.102 0.000 1.261 135 Q HN 0.496 nan 8.270 nan 0.000 0.444 136 T N 1.335 115.982 114.554 0.155 0.000 2.824 136 T HA 0.617 5.569 4.350 1.004 0.000 0.282 136 T C -0.476 174.330 174.700 0.178 0.000 0.993 136 T CA -0.498 61.700 62.100 0.163 0.000 0.967 136 T CB 1.429 70.388 68.868 0.153 0.000 0.960 136 T HN 0.440 nan 8.240 nan 0.000 0.441 137 S N 1.882 117.664 115.700 0.137 0.000 2.715 137 S HA 0.779 5.851 4.470 1.004 0.000 0.307 137 S C -0.782 173.969 174.600 0.251 0.000 1.119 137 S CA -0.809 57.474 58.200 0.139 0.000 0.937 137 S CB 1.105 64.325 63.200 0.034 0.000 1.150 137 S HN 0.573 nan 8.310 nan 0.000 0.521 138 I N 1.274 122.002 120.570 0.264 0.000 2.569 138 I HA 0.399 5.171 4.170 1.004 0.000 0.290 138 I C -1.553 174.618 176.117 0.089 0.000 1.088 138 I CA -0.286 61.062 61.300 0.081 0.000 1.047 138 I CB 1.877 39.872 38.000 -0.008 0.000 1.237 138 I HN 0.554 nan 8.210 nan 0.000 0.421 139 W N 7.703 128.858 121.300 -0.242 0.000 2.631 139 W HA 0.449 5.712 4.660 1.005 0.000 0.321 139 W C -2.225 174.224 176.519 -0.117 0.000 1.004 139 W CA -0.518 56.741 57.345 -0.144 0.000 1.291 139 W CB 1.610 31.067 29.460 -0.006 0.000 1.300 139 W HN 0.237 nan 8.180 nan 0.000 0.422 140 F N 3.557 123.261 119.950 -0.410 0.000 2.385 140 F HA 0.237 5.365 4.527 1.001 0.000 0.360 140 F C 0.858 176.367 175.800 -0.485 0.000 1.122 140 F CA -0.600 57.236 58.000 -0.273 0.000 1.090 140 F CB 1.455 40.349 39.000 -0.177 0.000 1.150 140 F HN 0.046 nan 8.300 nan 0.000 0.472 141 S N 4.018 119.754 115.700 0.061 0.000 2.537 141 S HA 0.399 5.471 4.470 1.004 0.000 0.275 141 S C 1.090 175.746 174.600 0.093 0.000 1.272 141 S CA -0.704 57.570 58.200 0.123 0.000 1.050 141 S CB 0.315 63.709 63.200 0.324 0.000 0.961 141 S HN 0.623 nan 8.310 nan 0.000 0.496 142 I N 1.359 121.978 120.570 0.081 0.000 3.793 142 I HA 0.407 5.180 4.170 1.004 0.000 0.315 142 I C -0.148 176.020 176.117 0.085 0.000 1.275 142 I CA -0.158 61.185 61.300 0.072 0.000 1.214 142 I CB -0.089 37.951 38.000 0.067 0.000 1.018 142 I HN 0.304 nan 8.210 nan 0.000 0.439 143 K N 1.979 122.445 120.400 0.111 0.000 2.483 143 K HA 0.405 5.327 4.320 1.004 0.000 0.256 143 K C -2.184 174.482 176.600 0.111 0.000 0.961 143 K CA -1.707 54.639 56.287 0.097 0.000 0.873 143 K CB 1.852 34.409 32.500 0.094 0.000 1.107 143 K HN -0.211 nan 8.250 nan 0.000 0.432 144 P HA -0.175 nan 4.420 nan 0.000 0.225 144 P C 0.306 177.674 177.300 0.114 0.000 1.148 144 P CA 1.119 64.280 63.100 0.102 0.000 0.779 144 P CB 0.180 31.923 31.700 0.072 0.000 0.780 145 D N -1.704 118.756 120.400 0.100 0.000 2.340 145 D HA 0.058 5.300 4.640 1.004 0.000 0.217 145 D C 0.035 176.403 176.300 0.113 0.000 1.081 145 D CA -0.071 53.988 54.000 0.100 0.000 0.842 145 D CB -0.253 40.591 40.800 0.073 0.000 0.934 145 D HN 0.084 nan 8.370 nan 0.000 0.511 146 L N 1.295 122.591 121.223 0.122 0.000 2.406 146 L HA 0.319 5.261 4.340 1.004 0.000 0.270 146 L C 0.417 177.362 176.870 0.124 0.000 0.982 146 L CA -1.039 53.849 54.840 0.081 0.000 0.843 146 L CB 1.189 43.260 42.059 0.021 0.000 1.225 146 L HN -0.080 nan 8.230 nan 0.000 0.412 147 F N 3.658 123.646 119.950 0.063 0.000 2.234 147 F HA 0.270 5.399 4.527 1.003 0.000 0.299 147 F C 0.419 176.278 175.800 0.098 0.000 1.087 147 F CA 0.623 58.675 58.000 0.087 0.000 1.340 147 F CB -0.078 38.924 39.000 0.004 0.000 1.031 147 F HN 0.407 nan 8.300 nan 0.000 0.500 148 M N 0.222 119.324 119.600 -0.831 0.000 2.415 148 M HA 0.362 5.444 4.480 1.004 0.000 0.292 148 M C -3.090 172.694 176.300 -0.860 0.000 1.107 148 M CA -1.759 53.011 55.300 -0.882 0.000 0.927 148 M CB 1.778 33.724 32.600 -1.090 0.000 1.808 148 M HN -0.315 nan 8.290 nan 0.000 0.509 149 P HA 0.193 nan 4.420 nan 0.000 0.274 149 P C -0.005 177.021 177.300 -0.456 0.000 1.246 149 P CA -0.164 62.678 63.100 -0.431 0.000 0.795 149 P CB 0.890 32.426 31.700 -0.273 0.000 1.006 150 S N 1.256 116.777 115.700 -0.298 0.000 2.365 150 S HA -0.257 4.816 4.470 1.004 0.000 0.225 150 S C 1.820 176.301 174.600 -0.199 0.000 1.039 150 S CA 1.784 59.850 58.200 -0.223 0.000 1.033 150 S CB -0.750 62.372 63.200 -0.131 0.000 0.887 150 S HN 0.484 nan 8.310 nan 0.000 0.447 151 K N -0.064 120.225 120.400 -0.185 0.000 2.059 151 K HA -0.235 4.687 4.320 1.004 0.000 0.212 151 K C 2.292 178.784 176.600 -0.181 0.000 1.050 151 K CA 2.092 58.291 56.287 -0.147 0.000 0.927 151 K CB -0.241 32.186 32.500 -0.121 0.000 0.714 151 K HN 0.359 nan 8.250 nan 0.000 0.447 152 Q N 0.316 119.926 119.800 -0.317 0.000 2.123 152 Q HA -0.081 4.861 4.340 1.004 0.000 0.199 152 Q C 2.112 177.960 176.000 -0.253 0.000 0.966 152 Q CA 1.452 57.041 55.803 -0.355 0.000 0.845 152 Q CB 0.049 28.357 28.738 -0.717 0.000 0.907 152 Q HN 0.394 nan 8.270 nan 0.000 0.439 153 Q N 0.303 119.911 119.800 -0.320 0.000 2.045 153 Q HA -0.215 4.727 4.340 1.004 0.000 0.206 153 Q C 1.873 177.906 176.000 0.056 0.000 0.991 153 Q CA 1.307 57.022 55.803 -0.146 0.000 0.851 153 Q CB -0.142 28.434 28.738 -0.270 0.000 0.911 153 Q HN 0.330 nan 8.270 nan 0.000 0.418 154 E N 0.434 120.626 120.200 -0.014 0.000 2.110 154 E HA -0.146 4.806 4.350 1.004 0.000 0.193 154 E C 1.977 178.592 176.600 0.025 0.000 0.988 154 E CA 1.032 57.444 56.400 0.020 0.000 0.804 154 E CB -0.278 29.418 29.700 -0.007 0.000 0.745 154 E HN 0.374 nan 8.360 nan 0.000 0.458 155 A N 1.323 124.144 122.820 0.001 0.000 1.883 155 A HA -0.175 4.747 4.320 1.004 0.000 0.217 155 A C 2.396 180.010 177.584 0.049 0.000 1.186 155 A CA 1.282 53.330 52.037 0.018 0.000 0.624 155 A CB -0.776 18.222 19.000 -0.003 0.000 0.822 155 A HN 0.198 nan 8.150 nan 0.000 0.444 156 L N -0.802 120.464 121.223 0.072 0.000 2.056 156 L HA -0.204 4.739 4.340 1.004 0.000 0.207 156 L C 2.583 179.498 176.870 0.075 0.000 1.078 156 L CA 1.763 56.662 54.840 0.099 0.000 0.749 156 L CB -0.401 41.768 42.059 0.184 0.000 0.901 156 L HN 0.381 nan 8.230 nan 0.000 0.433 157 K N -0.366 120.084 120.400 0.084 0.000 2.097 157 K HA -0.185 4.737 4.320 1.004 0.000 0.206 157 K C 2.246 178.867 176.600 0.034 0.000 1.049 157 K CA 1.109 57.422 56.287 0.043 0.000 0.933 157 K CB -0.172 32.362 32.500 0.056 0.000 0.717 157 K HN 0.185 nan 8.250 nan 0.000 0.442 158 R N 0.923 121.448 120.500 0.042 0.000 2.092 158 R HA -0.089 4.853 4.340 1.004 0.000 0.231 158 R C 2.394 178.722 176.300 0.047 0.000 1.119 158 R CA 1.202 57.324 56.100 0.037 0.000 0.970 158 R CB -0.021 30.301 30.300 0.036 0.000 0.864 158 R HN 0.005 nan 8.270 nan 0.000 0.440 159 R N 0.570 121.108 120.500 0.063 0.000 2.091 159 R HA -0.138 4.804 4.340 1.004 0.000 0.238 159 R C 2.195 178.540 176.300 0.075 0.000 1.136 159 R CA 1.749 57.901 56.100 0.087 0.000 0.959 159 R CB -0.235 30.129 30.300 0.106 0.000 0.856 159 R HN 0.060 nan 8.270 nan 0.000 0.437 160 R N 0.279 120.806 120.500 0.044 0.000 2.103 160 R HA -0.201 4.741 4.340 1.004 0.000 0.242 160 R C 1.884 178.209 176.300 0.042 0.000 1.142 160 R CA 2.258 58.375 56.100 0.028 0.000 0.960 160 R CB -0.119 30.179 30.300 -0.004 0.000 0.858 160 R HN 0.562 nan 8.270 nan 0.000 0.439 161 E N 0.004 120.224 120.200 0.034 0.000 2.216 161 E HA -0.199 4.753 4.350 1.004 0.000 0.192 161 E C 1.830 178.447 176.600 0.029 0.000 0.988 161 E CA 0.933 57.350 56.400 0.027 0.000 0.834 161 E CB -0.208 29.501 29.700 0.014 0.000 0.772 161 E HN 0.569 nan 8.360 nan 0.000 0.479 162 Q N 0.219 120.041 119.800 0.037 0.000 2.311 162 Q HA -0.098 4.844 4.340 1.004 0.000 0.203 162 Q C 0.212 176.223 176.000 0.018 0.000 0.954 162 Q CA 0.733 56.543 55.803 0.012 0.000 0.885 162 Q CB -0.115 28.624 28.738 0.002 0.000 0.963 162 Q HN 0.485 nan 8.270 nan 0.000 0.471 163 Y N 2.047 122.314 120.300 -0.055 0.000 2.748 163 Y HA 0.397 5.549 4.550 1.003 0.000 0.359 163 Y C -2.589 173.291 175.900 -0.034 0.000 1.030 163 Y CA -3.108 54.957 58.100 -0.060 0.000 1.169 163 Y CB 1.430 39.830 38.460 -0.100 0.000 1.127 163 Y HN 0.060 nan 8.280 nan 0.000 0.644 164 P HA 0.146 nan 4.420 nan 0.000 0.269 164 P C 0.665 178.065 177.300 0.167 0.000 1.215 164 P CA 1.365 64.549 63.100 0.139 0.000 0.780 164 P CB 0.910 32.654 31.700 0.073 0.000 0.898 165 G N 0.670 109.505 108.800 0.058 0.000 2.155 165 G HA2 -0.282 4.281 3.960 1.004 0.000 0.257 165 G HA3 -0.282 4.281 3.960 1.004 0.000 0.257 165 G C 0.371 175.222 174.900 -0.082 0.000 0.983 165 G CA 0.117 45.217 45.100 -0.001 0.000 0.676 165 G HN 0.899 nan 8.290 nan 0.000 0.528 166 C N -0.633 118.589 119.300 -0.131 0.000 2.604 166 C HA 0.751 5.813 4.460 1.004 0.000 0.396 166 C C 0.653 175.527 174.990 -0.194 0.000 1.282 166 C CA -1.083 57.736 59.018 -0.331 0.000 2.292 166 C CB 1.298 28.655 27.740 -0.638 0.000 2.633 166 C HN 0.571 nan 8.230 nan 0.000 0.620 167 E N 1.722 121.815 120.200 -0.178 0.000 2.081 167 E HA 0.488 5.440 4.350 1.004 0.000 0.281 167 E C -0.825 175.728 176.600 -0.079 0.000 0.986 167 E CA -0.333 56.005 56.400 -0.103 0.000 0.796 167 E CB 0.516 30.171 29.700 -0.075 0.000 1.085 167 E HN 0.723 nan 8.360 nan 0.000 0.398 168 I N 5.547 126.080 120.570 -0.060 0.000 2.331 168 I HA 0.334 5.106 4.170 1.004 0.000 0.292 168 I C 0.294 176.402 176.117 -0.015 0.000 0.998 168 I CA -0.631 60.651 61.300 -0.030 0.000 1.267 168 I CB 1.025 39.010 38.000 -0.024 0.000 1.386 168 I HN 0.357 nan 8.210 nan 0.000 0.476 169 R N 5.897 126.399 120.500 0.003 0.000 2.637 169 R HA 0.713 5.655 4.340 1.004 0.000 0.291 169 R C -1.357 174.970 176.300 0.044 0.000 0.963 169 R CA -1.103 55.001 56.100 0.007 0.000 0.901 169 R CB 2.570 32.855 30.300 -0.026 0.000 1.160 169 R HN 0.347 nan 8.270 nan 0.000 0.457 170 L N 3.293 124.556 121.223 0.067 0.000 2.376 170 L HA 0.498 5.440 4.340 1.004 0.000 0.275 170 L C -1.109 175.857 176.870 0.161 0.000 0.987 170 L CA -0.470 54.441 54.840 0.119 0.000 0.828 170 L CB 1.619 43.759 42.059 0.134 0.000 1.249 170 L HN 0.576 nan 8.230 nan 0.000 0.409 171 I N 6.184 126.853 120.570 0.165 0.000 2.385 171 I HA 0.450 5.222 4.170 1.004 0.000 0.294 171 I C -0.577 175.692 176.117 0.253 0.000 0.988 171 I CA -0.401 61.019 61.300 0.199 0.000 1.265 171 I CB 1.032 39.110 38.000 0.130 0.000 1.388 171 I HN 0.756 nan 8.210 nan 0.000 0.480 172 Y N 3.055 123.442 120.300 0.145 0.000 2.829 172 Y HA 0.676 5.828 4.550 1.003 0.000 0.322 172 Y C -1.017 175.141 175.900 0.431 0.000 1.357 172 Y CA -1.156 57.087 58.100 0.239 0.000 1.081 172 Y CB 1.593 40.200 38.460 0.245 0.000 1.339 172 Y HN 0.345 nan 8.280 nan 0.000 0.469 173 S N 0.699 116.431 115.700 0.053 0.000 2.659 173 S HA 0.291 5.363 4.470 1.004 0.000 0.312 173 S C 0.367 174.790 174.600 -0.294 0.000 1.114 173 S CA -0.079 58.006 58.200 -0.192 0.000 1.063 173 S CB 0.914 64.079 63.200 -0.058 0.000 0.996 173 S HN 0.997 nan 8.310 nan 0.000 0.478 174 S N 3.475 118.916 115.700 -0.431 0.000 2.428 174 S HA -0.106 4.966 4.470 1.004 0.000 0.230 174 S C 1.928 176.525 174.600 -0.004 0.000 1.014 174 S CA 1.178 59.308 58.200 -0.117 0.000 0.957 174 S CB -0.651 62.515 63.200 -0.057 0.000 0.784 174 S HN 0.967 nan 8.310 nan 0.000 0.499 175 S N 1.836 117.507 115.700 -0.049 0.000 2.474 175 S HA 0.136 5.208 4.470 1.004 0.000 0.235 175 S C 1.638 176.234 174.600 -0.006 0.000 0.997 175 S CA 0.515 58.698 58.200 -0.028 0.000 0.949 175 S CB -0.784 62.381 63.200 -0.059 0.000 0.766 175 S HN 0.566 nan 8.310 nan 0.000 0.517 176 L N 0.187 121.420 121.223 0.017 0.000 2.492 176 L HA 0.355 5.297 4.340 1.004 0.000 0.223 176 L C 0.409 177.339 176.870 0.101 0.000 1.132 176 L CA 0.260 55.130 54.840 0.050 0.000 0.850 176 L CB -0.203 41.900 42.059 0.073 0.000 0.966 176 L HN 0.285 nan 8.230 nan 0.000 0.454 177 L N 0.215 121.515 121.223 0.129 0.000 2.334 177 L HA 0.310 5.252 4.340 1.004 0.000 0.273 177 L C -0.163 176.775 176.870 0.114 0.000 1.013 177 L CA -0.987 53.947 54.840 0.157 0.000 0.816 177 L CB 1.464 43.667 42.059 0.240 0.000 1.278 177 L HN 0.112 nan 8.230 nan 0.000 0.431 178 N N 1.367 120.130 118.700 0.105 0.000 2.317 178 N HA 0.168 5.510 4.740 1.004 0.000 0.245 178 N C 0.811 176.372 175.510 0.085 0.000 1.294 178 N CA 0.128 53.227 53.050 0.080 0.000 0.924 178 N CB 0.546 39.074 38.487 0.068 0.000 1.186 178 N HN 0.677 nan 8.380 nan 0.000 0.495 179 A N -0.042 122.817 122.820 0.065 0.000 1.896 179 A HA -0.320 4.602 4.320 1.004 0.000 0.220 179 A C 2.038 179.659 177.584 0.062 0.000 1.206 179 A CA 2.473 54.546 52.037 0.059 0.000 0.647 179 A CB -1.316 17.710 19.000 0.044 0.000 0.828 179 A HN 0.905 nan 8.150 nan 0.000 0.455 180 E N -0.117 120.120 120.200 0.061 0.000 2.072 180 E HA 0.002 4.954 4.350 1.004 0.000 0.191 180 E C 2.021 178.665 176.600 0.073 0.000 0.985 180 E CA 1.678 58.113 56.400 0.057 0.000 0.801 180 E CB -0.547 29.188 29.700 0.057 0.000 0.750 180 E HN 0.473 nan 8.360 nan 0.000 0.452 181 A N 0.833 123.720 122.820 0.111 0.000 1.908 181 A HA -0.225 4.697 4.320 1.004 0.000 0.218 181 A C 2.132 179.798 177.584 0.136 0.000 1.181 181 A CA 1.770 53.910 52.037 0.171 0.000 0.627 181 A CB -0.813 18.312 19.000 0.208 0.000 0.818 181 A HN 0.287 nan 8.150 nan 0.000 0.445 182 N N -0.513 118.265 118.700 0.130 0.000 2.120 182 N HA -0.162 5.180 4.740 1.004 0.000 0.188 182 N C 1.912 177.439 175.510 0.028 0.000 1.024 182 N CA 1.423 54.553 53.050 0.134 0.000 0.852 182 N CB -0.426 38.153 38.487 0.154 0.000 1.003 182 N HN 0.635 nan 8.380 nan 0.000 0.424 183 R N 1.156 121.661 120.500 0.009 0.000 2.081 183 R HA -0.076 4.866 4.340 1.004 0.000 0.235 183 R C 1.946 178.176 176.300 -0.117 0.000 1.131 183 R CA 1.342 57.423 56.100 -0.030 0.000 0.960 183 R CB -0.040 30.257 30.300 -0.006 0.000 0.856 183 R HN 0.321 nan 8.270 nan 0.000 0.436 184 Q N -0.130 119.575 119.800 -0.158 0.000 2.124 184 Q HA -0.205 4.737 4.340 1.004 0.000 0.202 184 Q C 2.056 177.537 176.000 -0.865 0.000 0.977 184 Q CA 1.844 57.432 55.803 -0.358 0.000 0.850 184 Q CB -0.121 28.499 28.738 -0.196 0.000 0.901 184 Q HN 0.272 nan 8.270 nan 0.000 0.429 185 M N 1.091 120.202 119.600 -0.815 0.000 2.086 185 M HA -0.170 4.913 4.480 1.004 0.000 0.261 185 M C 1.481 177.550 176.300 -0.384 0.000 1.067 185 M CA 1.831 56.660 55.300 -0.785 0.000 1.116 185 M CB 0.093 32.453 32.600 -0.401 0.000 1.348 185 M HN -0.125 nan 8.290 nan 0.000 0.407 186 K N -0.034 120.217 120.400 -0.248 0.000 2.057 186 K HA -0.038 4.884 4.320 1.004 0.000 0.207 186 K C 2.027 178.555 176.600 -0.119 0.000 1.049 186 K CA 1.556 57.762 56.287 -0.135 0.000 0.931 186 K CB -0.540 31.923 32.500 -0.063 0.000 0.714 186 K HN 0.482 nan 8.250 nan 0.000 0.440 187 A N 0.694 123.431 122.820 -0.138 0.000 1.930 187 A HA -0.137 4.786 4.320 1.004 0.000 0.217 187 A C 2.012 179.549 177.584 -0.078 0.000 1.175 187 A CA 1.013 52.992 52.037 -0.097 0.000 0.627 187 A CB -0.632 18.317 19.000 -0.085 0.000 0.815 187 A HN 0.369 nan 8.150 nan 0.000 0.443 188 F N 1.143 120.924 119.950 -0.281 0.000 2.102 188 F HA -0.051 5.078 4.527 1.003 0.000 0.298 188 F C 2.455 178.185 175.800 -0.118 0.000 1.105 188 F CA 1.254 59.139 58.000 -0.191 0.000 1.239 188 F CB -0.433 38.407 39.000 -0.267 0.000 0.991 188 F HN 0.235 nan 8.300 nan 0.000 0.474 189 A N 0.801 123.539 122.820 -0.136 0.000 1.933 189 A HA -0.161 4.761 4.320 1.004 0.000 0.218 189 A C 2.293 179.763 177.584 -0.189 0.000 1.175 189 A CA 1.403 53.330 52.037 -0.183 0.000 0.628 189 A CB -0.587 18.364 19.000 -0.082 0.000 0.814 189 A HN 0.322 nan 8.150 nan 0.000 0.444 190 R N 0.012 120.427 120.500 -0.142 0.000 2.073 190 R HA -0.047 4.895 4.340 1.004 0.000 0.234 190 R C 2.011 178.230 176.300 -0.134 0.000 1.134 190 R CA 1.607 57.639 56.100 -0.112 0.000 0.952 190 R CB -0.672 29.581 30.300 -0.078 0.000 0.850 190 R HN 0.590 nan 8.270 nan 0.000 0.433 191 K N 0.373 120.674 120.400 -0.165 0.000 2.097 191 K HA -0.083 4.839 4.320 1.004 0.000 0.205 191 K C 1.704 178.177 176.600 -0.212 0.000 1.050 191 K CA 0.944 57.135 56.287 -0.161 0.000 0.938 191 K CB 0.167 32.583 32.500 -0.140 0.000 0.718 191 K HN 0.088 nan 8.250 nan 0.000 0.442 192 Q N 0.225 119.821 119.800 -0.339 0.000 2.360 192 Q HA -0.015 4.927 4.340 1.004 0.000 0.202 192 Q C -0.162 175.710 176.000 -0.214 0.000 0.915 192 Q CA 0.110 55.709 55.803 -0.339 0.000 0.943 192 Q CB 0.143 28.517 28.738 -0.607 0.000 1.064 192 Q HN 0.246 nan 8.270 nan 0.000 0.511 193 N N 0.624 119.221 118.700 -0.171 0.000 2.738 193 N HA -0.193 5.149 4.740 1.004 0.000 0.249 193 N C -1.292 174.154 175.510 -0.108 0.000 1.047 193 N CA 0.304 53.285 53.050 -0.115 0.000 0.707 193 N CB -1.333 37.100 38.487 -0.089 0.000 0.937 193 N HN 0.278 nan 8.380 nan 0.000 0.545 194 I N 0.385 120.881 120.570 -0.124 0.000 2.412 194 I HA 0.197 4.970 4.170 1.004 0.000 0.296 194 I C 0.324 176.410 176.117 -0.051 0.000 0.987 194 I CA -0.838 60.411 61.300 -0.085 0.000 1.180 194 I CB 1.615 39.560 38.000 -0.091 0.000 1.340 194 I HN 0.081 nan 8.210 nan 0.000 0.455 195 S N 6.722 122.405 115.700 -0.029 0.000 2.422 195 S HA 0.281 5.354 4.470 1.004 0.000 0.283 195 S C -0.363 174.247 174.600 0.016 0.000 1.163 195 S CA -0.438 57.755 58.200 -0.012 0.000 1.054 195 S CB 0.381 63.571 63.200 -0.016 0.000 0.967 195 S HN 0.278 nan 8.310 nan 0.000 0.499 196 L N 5.551 126.793 121.223 0.032 0.000 2.275 196 L HA 0.572 5.514 4.340 1.004 0.000 0.288 196 L C -0.858 176.103 176.870 0.152 0.000 1.046 196 L CA -0.099 54.791 54.840 0.083 0.000 0.805 196 L CB 0.480 42.562 42.059 0.039 0.000 1.193 196 L HN 0.574 nan 8.230 nan 0.000 0.426 197 I N 4.323 125.023 120.570 0.217 0.000 2.389 197 I HA 0.278 5.050 4.170 1.004 0.000 0.288 197 I C -0.810 175.464 176.117 0.261 0.000 0.999 197 I CA -0.681 60.730 61.300 0.184 0.000 1.129 197 I CB 1.692 39.743 38.000 0.084 0.000 1.288 197 I HN 0.484 nan 8.210 nan 0.000 0.444 198 D N 5.831 126.328 120.400 0.161 0.000 2.347 198 D HA 0.138 5.381 4.640 1.004 0.000 0.235 198 D C 0.751 177.062 176.300 0.019 0.000 1.149 198 D CA -0.284 53.697 54.000 -0.032 0.000 0.850 198 D CB 1.300 42.064 40.800 -0.061 0.000 1.061 198 D HN 0.407 nan 8.370 nan 0.000 0.487 199 I N 3.509 124.112 120.570 0.055 0.000 2.454 199 I HA -0.205 4.567 4.170 1.004 0.000 0.254 199 I C 1.146 177.361 176.117 0.164 0.000 1.156 199 I CA 1.215 62.614 61.300 0.165 0.000 1.433 199 I CB -0.116 38.027 38.000 0.238 0.000 1.082 199 I HN 0.363 nan 8.210 nan 0.000 0.432 200 D N -0.387 120.039 120.400 0.044 0.000 2.263 200 D HA -0.097 5.145 4.640 1.004 0.000 0.208 200 D C 2.050 178.412 176.300 0.104 0.000 0.971 200 D CA 1.134 55.168 54.000 0.056 0.000 0.867 200 D CB -0.051 40.733 40.800 -0.026 0.000 0.929 200 D HN 0.293 nan 8.370 nan 0.000 0.492 201 S N -0.376 115.365 115.700 0.068 0.000 2.539 201 S HA 0.113 5.185 4.470 1.004 0.000 0.221 201 S C 0.616 175.217 174.600 0.001 0.000 0.987 201 S CA -0.332 57.889 58.200 0.035 0.000 0.929 201 S CB 1.095 64.308 63.200 0.021 0.000 0.832 201 S HN -0.029 nan 8.310 nan 0.000 0.492 202 V N 3.087 123.005 119.914 0.007 0.000 2.585 202 V HA 0.150 4.872 4.120 1.004 0.000 0.296 202 V C 0.093 176.026 176.094 -0.269 0.000 1.035 202 V CA 0.090 62.336 62.300 -0.090 0.000 1.084 202 V CB 0.497 32.303 31.823 -0.029 0.000 0.953 202 V HN 0.124 nan 8.190 nan 0.000 0.483 203 K N 3.067 123.346 120.400 -0.202 0.000 2.234 203 K HA 0.625 5.547 4.320 1.004 0.000 0.277 203 K C -0.160 176.303 176.600 -0.228 0.000 1.038 203 K CA 0.024 56.178 56.287 -0.221 0.000 0.888 203 K CB 1.505 33.933 32.500 -0.119 0.000 1.091 203 K HN 0.856 nan 8.250 nan 0.000 0.467 204 T N 0.941 115.320 114.554 -0.292 0.000 2.885 204 T HA 0.234 5.186 4.350 1.004 0.000 0.322 204 T C -0.718 173.905 174.700 -0.129 0.000 1.387 204 T CA -0.685 61.301 62.100 -0.190 0.000 1.041 204 T CB 0.946 69.702 68.868 -0.187 0.000 1.287 204 T HN 0.431 nan 8.240 nan 0.000 0.491 205 D N 1.365 121.735 120.400 -0.050 0.000 2.339 205 D HA 0.190 5.432 4.640 1.004 0.000 0.217 205 D C 0.850 177.163 176.300 0.023 0.000 1.050 205 D CA 0.316 54.310 54.000 -0.011 0.000 0.856 205 D CB 0.351 41.152 40.800 0.002 0.000 0.922 205 D HN 0.429 nan 8.370 nan 0.000 0.518 206 S N 1.606 117.328 115.700 0.037 0.000 2.552 206 S HA 0.027 5.099 4.470 1.004 0.000 0.289 206 S C -1.227 173.426 174.600 0.088 0.000 1.304 206 S CA -1.014 57.233 58.200 0.077 0.000 1.063 206 S CB 1.079 64.346 63.200 0.112 0.000 0.848 206 S HN -0.024 nan 8.310 nan 0.000 0.499 207 P HA -0.041 nan 4.420 nan 0.000 0.223 207 P C 1.224 178.540 177.300 0.028 0.000 1.151 207 P CA 0.895 64.021 63.100 0.043 0.000 0.787 207 P CB -0.031 31.683 31.700 0.024 0.000 0.788 208 L N -2.445 118.807 121.223 0.048 0.000 2.376 208 L HA -0.095 4.847 4.340 1.004 0.000 0.219 208 L C 2.678 179.568 176.870 0.034 0.000 1.133 208 L CA 0.843 55.689 54.840 0.010 0.000 0.816 208 L CB -0.993 41.106 42.059 0.068 0.000 0.933 208 L HN -0.083 nan 8.230 nan 0.000 0.449 209 Y N 2.119 122.407 120.300 -0.020 0.000 2.163 209 Y HA -0.094 5.057 4.550 1.002 0.000 0.288 209 Y C -0.417 175.460 175.900 -0.038 0.000 1.136 209 Y CA 1.357 59.447 58.100 -0.017 0.000 1.147 209 Y CB -1.151 37.309 38.460 -0.001 0.000 0.987 209 Y HN 0.116 nan 8.280 nan 0.000 0.509 210 P HA -0.114 nan 4.420 nan 0.000 0.221 210 P C 1.670 178.888 177.300 -0.138 0.000 1.150 210 P CA 1.530 64.566 63.100 -0.106 0.000 0.800 210 P CB -0.103 31.597 31.700 0.000 0.000 0.787 211 L N -0.926 120.204 121.223 -0.155 0.000 2.046 211 L HA -0.155 4.788 4.340 1.004 0.000 0.208 211 L C 2.409 179.166 176.870 -0.189 0.000 1.077 211 L CA 1.255 55.960 54.840 -0.225 0.000 0.747 211 L CB -1.244 40.499 42.059 -0.528 0.000 0.896 211 L HN 0.025 nan 8.230 nan 0.000 0.432 212 L N -1.442 119.650 121.223 -0.219 0.000 2.093 212 L HA -0.098 4.845 4.340 1.004 0.000 0.208 212 L C 2.402 179.102 176.870 -0.283 0.000 1.085 212 L CA 1.678 56.395 54.840 -0.206 0.000 0.755 212 L CB -0.781 41.179 42.059 -0.165 0.000 0.904 212 L HN -0.032 nan 8.230 nan 0.000 0.435 213 K N 0.817 120.996 120.400 -0.368 0.000 2.097 213 K HA -0.003 4.919 4.320 1.004 0.000 0.206 213 K C 2.199 178.667 176.600 -0.221 0.000 1.049 213 K CA 1.425 57.501 56.287 -0.351 0.000 0.933 213 K CB -0.562 31.695 32.500 -0.406 0.000 0.717 213 K HN 0.563 nan 8.250 nan 0.000 0.442 214 A N 1.798 124.533 122.820 -0.141 0.000 1.898 214 A HA -0.156 4.766 4.320 1.004 0.000 0.216 214 A C 2.042 179.490 177.584 -0.228 0.000 1.181 214 A CA 1.217 53.196 52.037 -0.097 0.000 0.620 214 A CB -0.233 18.796 19.000 0.048 0.000 0.819 214 A HN 0.214 nan 8.150 nan 0.000 0.442 215 E N 0.168 120.321 120.200 -0.079 0.000 2.058 215 E HA -0.196 4.756 4.350 1.004 0.000 0.194 215 E C 2.072 178.611 176.600 -0.102 0.000 0.997 215 E CA 1.315 57.717 56.400 0.003 0.000 0.801 215 E CB -0.441 29.338 29.700 0.132 0.000 0.746 215 E HN 0.678 nan 8.360 nan 0.000 0.450 216 L N 0.275 121.385 121.223 -0.188 0.000 2.056 216 L HA -0.113 4.829 4.340 1.004 0.000 0.207 216 L C 2.555 179.316 176.870 -0.181 0.000 1.078 216 L CA 0.988 55.693 54.840 -0.226 0.000 0.749 216 L CB -0.527 41.307 42.059 -0.374 0.000 0.901 216 L HN 0.057 nan 8.230 nan 0.000 0.433 217 A N -1.362 121.338 122.820 -0.200 0.000 2.070 217 A HA -0.181 4.742 4.320 1.004 0.000 0.220 217 A C 1.786 179.173 177.584 -0.328 0.000 1.159 217 A CA 1.123 53.018 52.037 -0.237 0.000 0.656 217 A CB -0.637 18.216 19.000 -0.246 0.000 0.800 217 A HN 0.468 nan 8.150 nan 0.000 0.453 218 H N -0.810 118.078 119.070 -0.303 0.000 2.517 218 H HA 0.272 5.432 4.556 1.006 0.000 0.282 218 H C -0.231 175.032 175.328 -0.108 0.000 1.023 218 H CA -0.315 55.569 56.048 -0.273 0.000 1.169 218 H CB -0.042 29.372 29.762 -0.581 0.000 1.454 218 H HN 0.332 nan 8.280 nan 0.000 0.556 219 L N 0.418 121.635 121.223 -0.010 0.000 2.540 219 L HA -0.019 4.924 4.340 1.004 0.000 0.276 219 L C 1.527 178.420 176.870 0.040 0.000 1.212 219 L CA 1.037 55.898 54.840 0.034 0.000 0.893 219 L CB 0.392 42.457 42.059 0.010 0.000 1.138 219 L HN 0.447 nan 8.230 nan 0.000 0.491 220 G N 2.581 111.429 108.800 0.079 0.000 2.253 220 G HA2 -0.310 4.253 3.960 1.004 0.000 0.251 220 G HA3 -0.310 4.253 3.960 1.004 0.000 0.251 220 G C 0.461 175.419 174.900 0.096 0.000 0.998 220 G CA 0.498 45.642 45.100 0.074 0.000 0.621 220 G HN 0.735 nan 8.290 nan 0.000 0.524 221 K N -1.013 119.459 120.400 0.120 0.000 3.239 221 K HA 0.591 5.513 4.320 1.004 0.000 0.204 221 K C 1.111 177.873 176.600 0.270 0.000 1.126 221 K CA -0.013 56.377 56.287 0.172 0.000 0.948 221 K CB 0.844 33.423 32.500 0.132 0.000 0.818 221 K HN 1.444 nan 8.250 nan 0.000 0.480 222 G N -0.086 108.882 108.800 0.280 0.000 2.179 222 G HA2 -0.227 4.335 3.960 1.004 0.000 0.220 222 G HA3 -0.227 4.335 3.960 1.004 0.000 0.220 222 G C 0.437 175.582 174.900 0.409 0.000 0.990 222 G CA -0.420 44.893 45.100 0.354 0.000 0.646 222 G HN 0.673 nan 8.290 nan 0.000 0.517 223 G N -0.603 108.389 108.800 0.320 0.000 2.580 223 G HA2 0.509 5.072 3.960 1.004 0.000 0.278 223 G HA3 0.509 5.072 3.960 1.004 0.000 0.278 223 G C -0.364 174.700 174.900 0.274 0.000 1.212 223 G CA 0.190 45.463 45.100 0.288 0.000 0.939 223 G HN 0.581 nan 8.290 nan 0.000 0.513 224 N N -0.163 118.678 118.700 0.235 0.000 2.455 224 N HA 0.248 5.590 4.740 1.004 0.000 0.285 224 N C -2.177 173.418 175.510 0.141 0.000 1.080 224 N CA -1.408 51.780 53.050 0.229 0.000 0.932 224 N CB 3.071 41.741 38.487 0.304 0.000 1.610 224 N HN 0.119 nan 8.380 nan 0.000 0.493 225 P HA -0.006 nan 4.420 nan 0.000 0.221 225 P C 0.937 178.299 177.300 0.102 0.000 1.150 225 P CA 0.731 63.892 63.100 0.101 0.000 0.800 225 P CB 0.405 32.121 31.700 0.026 0.000 0.787 226 A N 0.717 123.551 122.820 0.024 0.000 1.929 226 A HA 0.060 4.982 4.320 1.004 0.000 0.216 226 A C 2.493 179.995 177.584 -0.137 0.000 1.176 226 A CA 1.726 53.676 52.037 -0.145 0.000 0.628 226 A CB -1.446 17.212 19.000 -0.571 0.000 0.816 226 A HN 0.211 nan 8.150 nan 0.000 0.444 227 A N 0.080 122.851 122.820 -0.082 0.000 1.902 227 A HA 0.131 5.053 4.320 1.004 0.000 0.217 227 A C 2.498 180.124 177.584 0.071 0.000 1.181 227 A CA 2.130 54.165 52.037 -0.003 0.000 0.623 227 A CB -1.011 18.033 19.000 0.075 0.000 0.818 227 A HN 1.028 nan 8.150 nan 0.000 0.443 228 A N -0.823 122.053 122.820 0.093 0.000 1.902 228 A HA -0.106 4.816 4.320 1.004 0.000 0.217 228 A C 2.490 180.237 177.584 0.270 0.000 1.181 228 A CA 2.192 54.283 52.037 0.091 0.000 0.623 228 A CB -0.989 17.942 19.000 -0.115 0.000 0.818 228 A HN 0.604 nan 8.150 nan 0.000 0.443 229 S N -0.199 115.700 115.700 0.331 0.000 2.368 229 S HA -0.205 4.867 4.470 1.004 0.000 0.225 229 S C 1.669 176.277 174.600 0.012 0.000 1.030 229 S CA 1.772 60.086 58.200 0.190 0.000 0.999 229 S CB -0.570 62.663 63.200 0.056 0.000 0.844 229 S HN 0.556 nan 8.310 nan 0.000 0.459 230 D N 1.243 121.640 120.400 -0.006 0.000 2.123 230 D HA -0.082 5.160 4.640 1.004 0.000 0.196 230 D C 1.915 178.271 176.300 0.093 0.000 0.992 230 D CA 1.142 55.136 54.000 -0.010 0.000 0.833 230 D CB -0.416 40.388 40.800 0.007 0.000 0.954 230 D HN 0.417 nan 8.370 nan 0.000 0.455 231 L N 0.003 121.294 121.223 0.113 0.000 2.072 231 L HA -0.122 4.820 4.340 1.004 0.000 0.205 231 L C 2.676 179.647 176.870 0.168 0.000 1.079 231 L CA 0.554 55.485 54.840 0.153 0.000 0.752 231 L CB -0.391 41.699 42.059 0.051 0.000 0.906 231 L HN 0.093 nan 8.230 nan 0.000 0.436 232 C N 0.267 119.655 119.300 0.147 0.000 2.396 232 C HA -0.203 4.859 4.460 1.004 0.000 0.277 232 C C 2.830 177.873 174.990 0.088 0.000 1.231 232 C CA 0.945 60.086 59.018 0.204 0.000 1.775 232 C CB -1.141 26.779 27.740 0.300 0.000 2.036 232 C HN 0.445 nan 8.230 nan 0.000 0.484 233 R N -1.086 119.223 120.500 -0.318 0.000 2.241 233 R HA -0.158 4.784 4.340 1.004 0.000 0.224 233 R C 0.846 176.583 176.300 -0.939 0.000 1.101 233 R CA 1.260 56.731 56.100 -1.049 0.000 0.995 233 R CB -0.214 29.340 30.300 -1.244 0.000 0.870 233 R HN 0.688 nan 8.270 nan 0.000 0.463 234 W N 0.890 122.167 121.300 -0.038 0.000 2.771 234 W HA 0.318 5.605 4.660 1.046 0.000 0.412 234 W C -0.145 176.428 176.519 0.090 0.000 0.965 234 W CA -0.884 56.489 57.345 0.047 0.000 2.045 234 W CB 0.352 29.828 29.460 0.027 0.000 1.176 234 W HN -0.056 nan 8.180 nan 0.000 0.634 235 I N -0.449 120.262 120.570 0.235 0.000 2.378 235 I HA 0.495 5.267 4.170 1.004 0.000 0.291 235 I C -1.514 174.690 176.117 0.145 0.000 0.992 235 I CA -3.083 58.336 61.300 0.199 0.000 1.154 235 I CB 2.188 40.302 38.000 0.191 0.000 1.315 235 I HN -0.287 nan 8.210 nan 0.000 0.448 236 P HA -0.124 nan 4.420 nan 0.000 0.220 236 P C 0.842 178.147 177.300 0.008 0.000 1.148 236 P CA 1.312 64.450 63.100 0.064 0.000 0.803 236 P CB 0.263 32.007 31.700 0.074 0.000 0.782 237 E N -0.755 119.445 120.200 -0.001 0.000 2.274 237 E HA -0.001 4.951 4.350 1.004 0.000 0.194 237 E C 1.978 178.521 176.600 -0.096 0.000 0.996 237 E CA 0.674 57.048 56.400 -0.043 0.000 0.840 237 E CB -0.576 29.095 29.700 -0.050 0.000 0.772 237 E HN 0.277 nan 8.360 nan 0.000 0.491 238 L N -1.372 119.785 121.223 -0.111 0.000 2.357 238 L HA 0.209 5.151 4.340 1.004 0.000 0.211 238 L C -0.174 176.265 176.870 -0.718 0.000 1.075 238 L CA 0.124 54.768 54.840 -0.326 0.000 0.830 238 L CB 0.457 42.402 42.059 -0.190 0.000 0.996 238 L HN 0.012 nan 8.230 nan 0.000 0.467 239 F N 0.642 120.423 119.950 -0.282 0.000 2.577 239 F HA 0.234 5.366 4.527 1.008 0.000 0.344 239 F C 0.119 175.612 175.800 -0.512 0.000 1.145 239 F CA -0.805 56.839 58.000 -0.592 0.000 0.996 239 F CB 0.879 39.177 39.000 -1.170 0.000 1.248 239 F HN -0.022 nan 8.300 nan 0.000 0.447 240 N N 0.361 118.953 118.700 -0.181 0.000 2.081 240 N HA 0.153 5.495 4.740 1.004 0.000 0.230 240 N C -0.860 174.677 175.510 0.045 0.000 1.351 240 N CA -0.425 52.603 53.050 -0.037 0.000 0.840 240 N CB 0.503 38.980 38.487 -0.016 0.000 1.189 240 N HN 0.612 nan 8.380 nan 0.000 0.503 241 E N -1.630 118.611 120.200 0.069 0.000 2.409 241 E HA 0.506 5.458 4.350 1.004 0.000 0.280 241 E C 0.070 176.824 176.600 0.257 0.000 1.079 241 E CA -0.933 55.563 56.400 0.161 0.000 0.840 241 E CB 0.750 30.507 29.700 0.095 0.000 1.309 241 E HN 0.191 nan 8.360 nan 0.000 0.447 242 G N 0.253 109.255 108.800 0.336 0.000 2.575 242 G HA2 -0.244 4.318 3.960 1.004 0.000 0.267 242 G HA3 -0.244 4.318 3.960 1.004 0.000 0.267 242 G C -0.866 174.396 174.900 0.604 0.000 1.264 242 G CA 0.170 45.554 45.100 0.474 0.000 0.935 242 G HN 0.430 nan 8.290 nan 0.000 0.568 243 F N -0.477 119.682 119.950 0.348 0.000 2.522 243 F HA 0.643 5.774 4.527 1.007 0.000 0.324 243 F C 0.241 176.268 175.800 0.377 0.000 1.077 243 F CA -0.727 57.467 58.000 0.323 0.000 0.944 243 F CB 1.800 40.926 39.000 0.210 0.000 1.175 243 F HN 0.622 nan 8.300 nan 0.000 0.468 244 Y N 2.680 123.224 120.300 0.408 0.000 2.308 244 Y HA 0.677 5.832 4.550 1.007 0.000 0.329 244 Y C -1.263 174.667 175.900 0.051 0.000 1.111 244 Y CA -0.921 57.330 58.100 0.252 0.000 1.179 244 Y CB 0.968 39.391 38.460 -0.062 0.000 1.201 244 Y HN 0.295 nan 8.280 nan 0.000 0.483 245 V N 5.196 124.405 119.914 -1.174 0.000 2.760 245 V HA 0.211 4.933 4.120 1.004 0.000 0.309 245 V C -0.786 174.658 176.094 -1.083 0.000 1.077 245 V CA -1.282 60.383 62.300 -1.058 0.000 0.910 245 V CB 1.713 32.921 31.823 -1.025 0.000 1.008 245 V HN 0.705 nan 8.190 nan 0.000 0.424 246 D N 1.599 121.663 120.400 -0.560 0.000 2.506 246 D HA 0.047 5.289 4.640 1.004 0.000 0.234 246 D C 1.128 177.358 176.300 -0.117 0.000 1.143 246 D CA 0.421 54.344 54.000 -0.129 0.000 0.871 246 D CB 1.004 41.842 40.800 0.062 0.000 1.190 246 D HN 0.606 nan 8.370 nan 0.000 0.459 247 I N 1.586 122.172 120.570 0.027 0.000 2.335 247 I HA -0.255 4.518 4.170 1.004 0.000 0.251 247 I C 1.289 177.410 176.117 0.007 0.000 1.129 247 I CA 1.334 62.650 61.300 0.026 0.000 1.402 247 I CB 0.205 38.276 38.000 0.117 0.000 1.069 247 I HN 0.395 nan 8.210 nan 0.000 0.424 248 D N 0.379 120.797 120.400 0.029 0.000 2.342 248 D HA 0.037 5.279 4.640 1.004 0.000 0.221 248 D C 0.496 176.826 176.300 0.049 0.000 1.101 248 D CA -0.131 53.885 54.000 0.027 0.000 0.837 248 D CB -0.405 40.410 40.800 0.026 0.000 0.938 248 D HN 0.278 nan 8.370 nan 0.000 0.508 249 L N 1.860 123.106 121.223 0.040 0.000 2.416 249 L HA 0.242 5.185 4.340 1.004 0.000 0.272 249 L C -1.935 175.040 176.870 0.175 0.000 1.161 249 L CA -1.424 53.469 54.840 0.089 0.000 0.845 249 L CB 0.726 42.810 42.059 0.041 0.000 1.119 249 L HN -0.120 nan 8.230 nan 0.000 0.464 250 P HA 0.173 nan 4.420 nan 0.000 0.279 250 P C -0.825 176.585 177.300 0.183 0.000 1.252 250 P CA -0.416 62.775 63.100 0.152 0.000 0.811 250 P CB 1.503 33.256 31.700 0.087 0.000 1.035 251 V N 2.126 122.085 119.914 0.074 0.000 2.439 251 V HA 0.141 4.863 4.120 1.004 0.000 0.282 251 V C 0.439 176.472 176.094 -0.102 0.000 1.039 251 V CA -0.100 62.134 62.300 -0.110 0.000 0.913 251 V CB 0.955 32.690 31.823 -0.146 0.000 0.983 251 V HN 0.547 nan 8.190 nan 0.000 0.460 252 D N 3.348 123.660 120.400 -0.146 0.000 2.411 252 D HA 0.116 5.358 4.640 1.004 0.000 0.225 252 D C 1.364 177.558 176.300 -0.177 0.000 1.156 252 D CA 0.198 54.123 54.000 -0.124 0.000 0.874 252 D CB 1.435 42.174 40.800 -0.102 0.000 1.034 252 D HN 0.593 nan 8.370 nan 0.000 0.502 253 S N 1.933 117.536 115.700 -0.162 0.000 2.442 253 S HA -0.206 4.866 4.470 1.004 0.000 0.236 253 S C 1.812 176.292 174.600 -0.200 0.000 1.007 253 S CA 1.162 59.235 58.200 -0.211 0.000 0.965 253 S CB -0.394 62.708 63.200 -0.163 0.000 0.773 253 S HN 0.397 nan 8.310 nan 0.000 0.504 254 S N 1.187 116.799 115.700 -0.146 0.000 2.474 254 S HA 0.090 5.162 4.470 1.004 0.000 0.235 254 S C 1.540 176.057 174.600 -0.138 0.000 0.997 254 S CA 0.532 58.656 58.200 -0.126 0.000 0.949 254 S CB -0.402 62.745 63.200 -0.089 0.000 0.766 254 S HN 0.614 nan 8.310 nan 0.000 0.517 255 K N 0.306 120.606 120.400 -0.167 0.000 2.393 255 K HA 0.356 5.278 4.320 1.004 0.000 0.193 255 K C -0.071 176.403 176.600 -0.211 0.000 1.026 255 K CA -0.115 56.072 56.287 -0.166 0.000 1.064 255 K CB 0.053 32.452 32.500 -0.167 0.000 0.833 255 K HN 0.456 nan 8.250 nan 0.000 0.521 256 I N 2.608 123.006 120.570 -0.287 0.000 2.556 256 I HA -0.038 4.735 4.170 1.004 0.000 0.284 256 I C 0.283 176.230 176.117 -0.283 0.000 1.114 256 I CA -0.447 60.629 61.300 -0.372 0.000 1.418 256 I CB 0.628 38.270 38.000 -0.597 0.000 1.394 256 I HN -0.174 nan 8.210 nan 0.000 0.552 257 V N 2.494 122.257 119.914 -0.253 0.000 2.713 257 V HA 0.344 5.066 4.120 1.004 0.000 0.307 257 V C 0.941 176.838 176.094 -0.330 0.000 1.052 257 V CA -0.648 61.525 62.300 -0.211 0.000 0.967 257 V CB 1.688 33.446 31.823 -0.108 0.000 1.019 257 V HN 0.871 nan 8.190 nan 0.000 0.459 258 E N 3.576 123.635 120.200 -0.236 0.000 2.070 258 E HA -0.138 4.814 4.350 1.004 0.000 0.197 258 E C 1.815 178.257 176.600 -0.263 0.000 1.004 258 E CA 2.331 58.591 56.400 -0.234 0.000 0.805 258 E CB -0.564 29.067 29.700 -0.115 0.000 0.744 258 E HN 1.063 nan 8.360 nan 0.000 0.451 259 G N -1.734 106.977 108.800 -0.148 0.000 2.985 259 G HA2 -0.112 4.450 3.960 1.004 0.000 0.209 259 G HA3 -0.112 4.450 3.960 1.004 0.000 0.209 259 G C -0.342 174.602 174.900 0.075 0.000 1.165 259 G CA 0.425 45.511 45.100 -0.024 0.000 0.776 259 G HN 0.449 nan 8.290 nan 0.000 0.541 260 H N -0.901 118.212 119.070 0.071 0.000 2.820 260 H HA -0.170 4.988 4.556 1.003 0.000 0.295 260 H C 0.414 175.827 175.328 0.141 0.000 1.187 260 H CA 1.574 57.695 56.048 0.122 0.000 1.144 260 H CB -1.410 28.441 29.762 0.148 0.000 1.354 260 H HN 0.659 nan 8.280 nan 0.000 0.395 261 Q N 0.538 120.448 119.800 0.183 0.000 2.331 261 Q HA 0.642 5.584 4.340 1.004 0.000 0.272 261 Q C -0.508 175.606 176.000 0.191 0.000 1.062 261 Q CA -0.878 55.050 55.803 0.208 0.000 0.806 261 Q CB 2.270 31.107 28.738 0.165 0.000 1.312 261 Q HN 0.407 nan 8.270 nan 0.000 0.431 262 I N -0.593 120.143 120.570 0.277 0.000 3.206 262 I HA 0.782 5.554 4.170 1.004 0.000 0.313 262 I C -0.472 175.876 176.117 0.386 0.000 1.103 262 I CA -0.923 60.533 61.300 0.259 0.000 0.985 262 I CB 2.328 40.463 38.000 0.224 0.000 1.240 262 I HN 0.729 nan 8.210 nan 0.000 0.464 263 T N -0.715 114.044 114.554 0.341 0.000 2.907 263 T HA 0.913 5.865 4.350 1.004 0.000 0.290 263 T C -0.296 174.672 174.700 0.446 0.000 1.066 263 T CA -0.481 61.888 62.100 0.447 0.000 1.012 263 T CB 1.757 70.786 68.868 0.269 0.000 1.184 263 T HN 1.239 nan 8.240 nan 0.000 0.522 264 G N -1.325 107.836 108.800 0.602 0.000 2.721 264 G HA2 0.583 5.145 3.960 1.004 0.000 0.296 264 G HA3 0.583 5.145 3.960 1.004 0.000 0.296 264 G C 0.195 175.383 174.900 0.480 0.000 1.383 264 G CA -0.348 45.033 45.100 0.468 0.000 0.788 264 G HN 1.152 nan 8.290 nan 0.000 0.500 265 G N -1.311 107.688 108.800 0.333 0.000 3.159 265 G HA2 0.500 5.062 3.960 1.004 0.000 0.232 265 G HA3 0.500 5.062 3.960 1.004 0.000 0.232 265 G C 0.221 175.269 174.900 0.247 0.000 1.116 265 G CA 0.880 46.112 45.100 0.219 0.000 0.767 265 G HN 1.578 nan 8.290 nan 0.000 0.547 266 V N -4.283 115.624 119.914 -0.013 0.000 3.114 266 V HA 0.630 5.352 4.120 1.004 0.000 0.308 266 V C -2.296 173.236 176.094 -0.937 0.000 1.168 266 V CA -2.135 59.844 62.300 -0.535 0.000 1.015 266 V CB 2.214 33.952 31.823 -0.142 0.000 1.050 266 V HN -0.133 nan 8.190 nan 0.000 0.433 267 P HA 0.214 nan 4.420 nan 0.000 0.229 267 P C 0.230 177.434 177.300 -0.161 0.000 1.160 267 P CA 0.923 63.487 63.100 -0.894 0.000 0.777 267 P CB 0.369 31.581 31.700 -0.813 0.000 0.814 268 I N -0.167 120.354 120.570 -0.081 0.000 2.499 268 I HA 0.332 5.105 4.170 1.004 0.000 0.288 268 I C 0.026 176.156 176.117 0.023 0.000 1.048 268 I CA -0.756 60.555 61.300 0.019 0.000 1.062 268 I CB 2.172 40.189 38.000 0.029 0.000 1.238 268 I HN -0.266 nan 8.210 nan 0.000 0.426 269 M N 6.758 126.250 119.600 -0.180 0.000 2.578 269 M HA 0.696 5.778 4.480 1.004 0.000 0.321 269 M C -0.794 175.381 176.300 -0.207 0.000 1.182 269 M CA -0.652 54.511 55.300 -0.227 0.000 0.965 269 M CB 2.414 34.720 32.600 -0.490 0.000 1.694 269 M HN 0.411 nan 8.290 nan 0.000 0.461 270 L N -0.724 120.455 121.223 -0.073 0.000 2.301 270 L HA 0.670 5.612 4.340 1.004 0.000 0.249 270 L C -0.400 176.472 176.870 0.003 0.000 1.069 270 L CA -1.329 53.488 54.840 -0.039 0.000 0.865 270 L CB 0.971 43.057 42.059 0.045 0.000 1.467 270 L HN 0.513 nan 8.230 nan 0.000 0.419 271 N N 1.189 119.905 118.700 0.027 0.000 2.438 271 N HA 0.383 5.726 4.740 1.004 0.000 0.267 271 N C -1.196 174.272 175.510 -0.070 0.000 1.222 271 N CA 0.542 53.617 53.050 0.043 0.000 0.930 271 N CB 0.184 38.702 38.487 0.053 0.000 1.083 271 N HN 0.579 nan 8.380 nan 0.000 0.476 272 M N 1.582 121.116 119.600 -0.110 0.000 2.658 272 M HA 0.635 5.718 4.480 1.004 0.000 0.295 272 M C 0.334 176.123 176.300 -0.852 0.000 1.248 272 M CA -0.900 54.189 55.300 -0.353 0.000 0.843 272 M CB 2.551 35.044 32.600 -0.179 0.000 1.749 272 M HN 0.601 nan 8.290 nan 0.000 0.464 273 G N 0.082 108.134 108.800 -1.247 0.000 2.634 273 G HA2 0.762 5.324 3.960 1.004 0.000 0.309 273 G HA3 0.762 5.324 3.960 1.004 0.000 0.309 273 G C -1.893 172.301 174.900 -1.178 0.000 1.299 273 G CA -0.365 43.785 45.100 -1.583 0.000 0.798 273 G HN 0.866 nan 8.290 nan 0.000 0.490 274 S N -1.206 114.140 115.700 -0.591 0.000 2.565 274 S HA 0.715 5.787 4.470 1.004 0.000 0.269 274 S C -1.500 173.048 174.600 -0.086 0.000 1.153 274 S CA -0.813 57.261 58.200 -0.210 0.000 0.835 274 S CB 1.887 65.121 63.200 0.057 0.000 1.122 274 S HN 0.810 nan 8.310 nan 0.000 0.462 275 I N 2.073 122.622 120.570 -0.034 0.000 2.433 275 I HA 0.469 5.241 4.170 1.004 0.000 0.292 275 I C -0.615 175.490 176.117 -0.020 0.000 1.001 275 I CA -0.967 60.316 61.300 -0.028 0.000 1.119 275 I CB 1.410 39.397 38.000 -0.022 0.000 1.289 275 I HN 0.740 nan 8.210 nan 0.000 0.438 276 I N 4.886 125.420 120.570 -0.060 0.000 2.321 276 I HA 0.222 4.994 4.170 1.004 0.000 0.291 276 I C 0.903 176.982 176.117 -0.064 0.000 0.998 276 I CA -0.379 60.855 61.300 -0.110 0.000 1.227 276 I CB 1.640 39.460 38.000 -0.299 0.000 1.368 276 I HN 0.655 nan 8.210 nan 0.000 0.466 277 S N 5.282 120.966 115.700 -0.026 0.000 2.608 277 S HA 0.279 5.351 4.470 1.004 0.000 0.261 277 S C 0.141 174.741 174.600 0.000 0.000 1.314 277 S CA -0.822 57.376 58.200 -0.003 0.000 0.992 277 S CB 1.001 64.212 63.200 0.018 0.000 0.935 277 S HN 0.477 nan 8.310 nan 0.000 0.564 278 E N 1.288 121.495 120.200 0.010 0.000 2.408 278 E HA 0.249 5.201 4.350 1.004 0.000 0.259 278 E C -2.357 174.270 176.600 0.044 0.000 1.110 278 E CA -1.802 54.611 56.400 0.022 0.000 0.929 278 E CB -0.482 29.230 29.700 0.021 0.000 0.971 278 E HN 0.457 nan 8.360 nan 0.000 0.438 279 P HA 0.107 nan 4.420 nan 0.000 0.267 279 P C -0.314 177.044 177.300 0.097 0.000 1.205 279 P CA 0.376 63.538 63.100 0.103 0.000 0.765 279 P CB 0.330 32.108 31.700 0.131 0.000 0.828 280 I N 2.163 122.782 120.570 0.082 0.000 2.377 280 I HA 0.547 5.320 4.170 1.004 0.000 0.293 280 I C -0.014 176.100 176.117 -0.004 0.000 0.987 280 I CA -1.061 60.264 61.300 0.043 0.000 1.185 280 I CB 1.525 39.544 38.000 0.031 0.000 1.341 280 I HN 0.327 nan 8.210 nan 0.000 0.455 281 A N 8.372 131.172 122.820 -0.034 0.000 2.483 281 A HA 0.381 5.304 4.320 1.004 0.000 0.238 281 A C -1.766 175.715 177.584 -0.171 0.000 1.070 281 A CA -0.736 51.220 52.037 -0.135 0.000 0.770 281 A CB -0.269 18.680 19.000 -0.085 0.000 1.008 281 A HN 0.736 nan 8.150 nan 0.000 0.497 282 P HA 0.112 nan 4.420 nan 0.000 0.259 282 P C 0.233 177.079 177.300 -0.757 0.000 1.233 282 P CA 0.950 63.747 63.100 -0.505 0.000 0.827 282 P CB 0.073 31.451 31.700 -0.538 0.000 1.154 283 H N -0.712 118.168 119.070 -0.318 0.000 2.529 283 H HA 0.155 5.312 4.556 1.003 0.000 0.277 283 H C 0.083 175.290 175.328 -0.201 0.000 1.004 283 H CA -0.133 55.748 56.048 -0.278 0.000 1.167 283 H CB -0.443 29.263 29.762 -0.092 0.000 1.445 283 H HN 0.130 nan 8.280 nan 0.000 0.554 284 H N -0.522 118.600 119.070 0.087 0.000 2.861 284 H HA -0.182 4.976 4.556 1.003 0.000 0.289 284 H C -0.129 175.250 175.328 0.084 0.000 1.176 284 H CA 0.375 56.465 56.048 0.069 0.000 1.146 284 H CB -1.735 28.064 29.762 0.062 0.000 1.330 284 H HN 0.523 nan 8.280 nan 0.000 0.379 285 R N 1.433 122.025 120.500 0.153 0.000 2.442 285 R HA 0.329 5.271 4.340 1.004 0.000 0.291 285 R C 0.752 177.126 176.300 0.122 0.000 1.069 285 R CA -0.147 56.033 56.100 0.134 0.000 1.022 285 R CB 1.042 31.407 30.300 0.109 0.000 0.976 285 R HN 0.187 nan 8.270 nan 0.000 0.443 286 R N 1.762 122.346 120.500 0.139 0.000 2.486 286 R HA 0.173 5.115 4.340 1.004 0.000 0.286 286 R C -0.271 176.113 176.300 0.140 0.000 0.999 286 R CA -0.621 55.553 56.100 0.124 0.000 0.993 286 R CB 1.438 31.816 30.300 0.129 0.000 1.084 286 R HN 0.533 nan 8.270 nan 0.000 0.487 287 Q N 1.433 121.293 119.800 0.100 0.000 2.353 287 Q HA 0.217 5.159 4.340 1.004 0.000 0.268 287 Q C -1.337 174.721 176.000 0.097 0.000 1.045 287 Q CA -0.640 55.228 55.803 0.108 0.000 0.811 287 Q CB 2.019 30.804 28.738 0.078 0.000 1.305 287 Q HN 0.574 nan 8.270 nan 0.000 0.447 288 E N 2.301 122.586 120.200 0.141 0.000 2.133 288 E HA 0.610 5.562 4.350 1.004 0.000 0.274 288 E C -1.679 175.008 176.600 0.145 0.000 0.930 288 E CA -0.627 55.855 56.400 0.138 0.000 0.770 288 E CB 1.354 31.188 29.700 0.223 0.000 1.104 288 E HN 0.658 nan 8.360 nan 0.000 0.403 289 A N 4.316 127.206 122.820 0.118 0.000 2.287 289 A HA 0.435 5.357 4.320 1.004 0.000 0.317 289 A C -0.635 177.033 177.584 0.140 0.000 1.220 289 A CA -0.679 51.442 52.037 0.140 0.000 0.835 289 A CB 1.204 20.263 19.000 0.100 0.000 1.180 289 A HN 0.467 nan 8.150 nan 0.000 0.500 290 V N 2.012 122.059 119.914 0.222 0.000 2.614 290 V HA 0.184 4.906 4.120 1.004 0.000 0.291 290 V C 0.291 176.435 176.094 0.084 0.000 1.049 290 V CA -0.274 62.099 62.300 0.121 0.000 1.038 290 V CB 0.552 32.494 31.823 0.198 0.000 0.980 290 V HN 0.980 nan 8.190 nan 0.000 0.481 291 C N 6.248 125.447 119.300 -0.169 0.000 2.365 291 C HA 0.805 5.867 4.460 1.004 0.000 0.349 291 C C 0.115 174.897 174.990 -0.347 0.000 1.191 291 C CA -0.705 58.206 59.018 -0.178 0.000 2.114 291 C CB 1.019 28.641 27.740 -0.196 0.000 2.367 291 C HN 0.973 nan 8.230 nan 0.000 0.530 292 M N 2.939 122.342 119.600 -0.328 0.000 2.421 292 M HA 0.529 5.611 4.480 1.004 0.000 0.287 292 M C -1.834 174.374 176.300 -0.155 0.000 1.183 292 M CA -0.033 55.074 55.300 -0.321 0.000 0.916 292 M CB 2.007 34.279 32.600 -0.547 0.000 1.701 292 M HN 0.835 nan 8.290 nan 0.000 0.470 293 N N 0.147 118.794 118.700 -0.090 0.000 2.416 293 N HA 0.565 5.907 4.740 1.004 0.000 0.276 293 N C -0.530 174.999 175.510 0.032 0.000 1.261 293 N CA -0.165 52.877 53.050 -0.013 0.000 0.790 293 N CB 2.361 40.846 38.487 -0.003 0.000 1.554 293 N HN 0.678 nan 8.380 nan 0.000 0.481 294 T N -2.654 111.941 114.554 0.069 0.000 3.129 294 T HA 0.114 5.066 4.350 1.004 0.000 0.267 294 T C 0.367 175.156 174.700 0.148 0.000 1.018 294 T CA -0.163 61.990 62.100 0.088 0.000 0.903 294 T CB -0.288 68.639 68.868 0.099 0.000 1.067 294 T HN 0.560 nan 8.240 nan 0.000 0.549 295 D N 1.703 122.197 120.400 0.155 0.000 2.312 295 D HA 0.031 5.273 4.640 1.004 0.000 0.211 295 D C 0.498 176.874 176.300 0.126 0.000 0.964 295 D CA 0.146 54.267 54.000 0.201 0.000 0.877 295 D CB -0.092 40.789 40.800 0.135 0.000 0.924 295 D HN 0.526 nan 8.370 nan 0.000 0.515 296 I N 0.550 121.192 120.570 0.119 0.000 2.500 296 I HA 0.376 5.148 4.170 1.004 0.000 0.286 296 I C -1.095 175.036 176.117 0.024 0.000 1.063 296 I CA -0.946 60.407 61.300 0.089 0.000 1.062 296 I CB 2.421 40.527 38.000 0.177 0.000 1.223 296 I HN -0.125 nan 8.210 nan 0.000 0.435 297 I N 5.397 125.931 120.570 -0.062 0.000 2.533 297 I HA 0.798 5.570 4.170 1.004 0.000 0.290 297 I C -0.887 174.806 176.117 -0.706 0.000 1.056 297 I CA -0.319 60.745 61.300 -0.395 0.000 1.057 297 I CB 1.697 39.363 38.000 -0.557 0.000 1.240 297 I HN 0.653 nan 8.210 nan 0.000 0.423 298 A N 6.691 128.960 122.820 -0.919 0.000 2.318 298 A HA 0.705 5.627 4.320 1.004 0.000 0.324 298 A C -1.834 175.507 177.584 -0.404 0.000 1.170 298 A CA -0.273 51.165 52.037 -0.998 0.000 0.810 298 A CB 0.536 18.687 19.000 -1.415 0.000 1.198 298 A HN 0.681 nan 8.150 nan 0.000 0.484 299 Y N 1.688 122.058 120.300 0.118 0.000 2.335 299 Y HA 0.457 5.608 4.550 1.001 0.000 0.338 299 Y C 1.005 176.990 175.900 0.142 0.000 0.977 299 Y CA -0.436 57.769 58.100 0.175 0.000 1.114 299 Y CB 1.930 40.450 38.460 0.099 0.000 1.182 299 Y HN 0.735 nan 8.280 nan 0.000 0.463 300 S N 1.637 117.330 115.700 -0.012 0.000 2.584 300 S HA 0.149 5.222 4.470 1.004 0.000 0.273 300 S C 0.680 175.223 174.600 -0.094 0.000 1.311 300 S CA -0.768 57.161 58.200 -0.451 0.000 1.034 300 S CB 0.782 63.520 63.200 -0.771 0.000 0.939 300 S HN 0.806 nan 8.310 nan 0.000 0.513 301 N N 1.157 119.807 118.700 -0.084 0.000 2.520 301 N HA -0.098 5.244 4.740 1.004 0.000 0.185 301 N C 0.216 175.736 175.510 0.017 0.000 1.068 301 N CA 0.568 53.617 53.050 -0.002 0.000 0.911 301 N CB -0.189 38.301 38.487 0.004 0.000 0.961 301 N HN 0.733 nan 8.380 nan 0.000 0.446 302 D N 1.747 122.161 120.400 0.023 0.000 2.449 302 D HA -0.069 5.173 4.640 1.004 0.000 0.236 302 D C 0.966 177.331 176.300 0.108 0.000 1.149 302 D CA 0.220 54.274 54.000 0.089 0.000 0.878 302 D CB 1.033 41.965 40.800 0.222 0.000 1.198 302 D HN 0.241 nan 8.370 nan 0.000 0.446 303 K N 2.466 122.933 120.400 0.112 0.000 2.439 303 K HA -0.038 4.884 4.320 1.004 0.000 0.197 303 K C 1.617 178.313 176.600 0.159 0.000 1.041 303 K CA 0.675 57.030 56.287 0.114 0.000 0.970 303 K CB 0.146 32.702 32.500 0.094 0.000 0.773 303 K HN 0.237 nan 8.250 nan 0.000 0.479 304 R N 0.714 121.343 120.500 0.215 0.000 2.280 304 R HA 0.020 4.962 4.340 1.004 0.000 0.207 304 R C 1.483 177.900 176.300 0.194 0.000 1.043 304 R CA 1.167 57.446 56.100 0.298 0.000 1.006 304 R CB -0.290 30.286 30.300 0.459 0.000 0.885 304 R HN 0.264 nan 8.270 nan 0.000 0.467 305 T N 1.141 115.759 114.554 0.108 0.000 2.720 305 T HA -0.193 4.759 4.350 1.004 0.000 0.268 305 T C 1.549 176.353 174.700 0.173 0.000 1.037 305 T CA 1.357 63.514 62.100 0.096 0.000 1.144 305 T CB -0.091 68.849 68.868 0.119 0.000 0.864 305 T HN 0.209 nan 8.240 nan 0.000 0.444 306 Q N 0.828 120.729 119.800 0.167 0.000 2.124 306 Q HA -0.031 4.912 4.340 1.004 0.000 0.202 306 Q C 2.220 178.334 176.000 0.190 0.000 0.977 306 Q CA 1.325 57.228 55.803 0.165 0.000 0.850 306 Q CB -0.220 28.593 28.738 0.126 0.000 0.901 306 Q HN 0.518 nan 8.270 nan 0.000 0.429 307 K N 0.046 120.581 120.400 0.226 0.000 2.025 307 K HA -0.124 4.798 4.320 1.004 0.000 0.207 307 K C 2.065 178.838 176.600 0.288 0.000 1.049 307 K CA 1.272 57.702 56.287 0.239 0.000 0.933 307 K CB -0.152 32.507 32.500 0.265 0.000 0.714 307 K HN 0.218 nan 8.250 nan 0.000 0.438 308 M N 0.609 120.448 119.600 0.399 0.000 2.108 308 M HA -0.195 4.887 4.480 1.004 0.000 0.261 308 M C 2.315 178.767 176.300 0.254 0.000 1.066 308 M CA 1.726 57.240 55.300 0.356 0.000 1.107 308 M CB -0.058 32.674 32.600 0.220 0.000 1.356 308 M HN 0.334 nan 8.290 nan 0.000 0.406 309 M N -0.265 119.514 119.600 0.299 0.000 2.117 309 M HA -0.261 4.821 4.480 1.004 0.000 0.262 309 M C 1.363 177.805 176.300 0.237 0.000 1.065 309 M CA 2.286 57.810 55.300 0.373 0.000 1.114 309 M CB -0.244 32.573 32.600 0.362 0.000 1.361 309 M HN 0.253 nan 8.290 nan 0.000 0.408 310 D N -0.950 119.557 120.400 0.178 0.000 2.224 310 D HA -0.119 5.124 4.640 1.004 0.000 0.205 310 D C 1.565 177.913 176.300 0.081 0.000 0.965 310 D CA 1.503 55.576 54.000 0.121 0.000 0.852 310 D CB 0.171 41.035 40.800 0.106 0.000 0.947 310 D HN 0.347 nan 8.370 nan 0.000 0.494 311 T N -0.821 113.779 114.554 0.077 0.000 2.708 311 T HA -0.134 4.818 4.350 1.004 0.000 0.266 311 T C 2.052 176.742 174.700 -0.016 0.000 1.037 311 T CA 1.153 63.274 62.100 0.035 0.000 1.146 311 T CB -0.369 68.520 68.868 0.034 0.000 0.865 311 T HN -0.013 nan 8.240 nan 0.000 0.435 312 V N 1.683 121.537 119.914 -0.099 0.000 2.343 312 V HA -0.152 4.570 4.120 1.004 0.000 0.247 312 V C 2.892 178.892 176.094 -0.158 0.000 1.051 312 V CA 1.668 63.795 62.300 -0.287 0.000 1.036 312 V CB -1.209 30.157 31.823 -0.761 0.000 0.654 312 V HN 0.532 nan 8.190 nan 0.000 0.451 313 A N -0.091 122.704 122.820 -0.041 0.000 1.933 313 A HA -0.222 4.701 4.320 1.004 0.000 0.218 313 A C 2.378 179.976 177.584 0.023 0.000 1.175 313 A CA 1.765 53.815 52.037 0.022 0.000 0.628 313 A CB -0.467 18.589 19.000 0.094 0.000 0.814 313 A HN 0.520 nan 8.150 nan 0.000 0.444 314 R N -2.451 118.069 120.500 0.034 0.000 2.092 314 R HA -0.103 4.840 4.340 1.004 0.000 0.231 314 R C 2.117 178.432 176.300 0.024 0.000 1.119 314 R CA 1.478 57.595 56.100 0.028 0.000 0.970 314 R CB -0.474 29.845 30.300 0.031 0.000 0.864 314 R HN 0.682 nan 8.270 nan 0.000 0.440 315 Y N 1.737 121.991 120.300 -0.077 0.000 2.114 315 Y HA -0.213 4.289 4.550 -0.081 0.000 0.284 315 Y C 2.090 177.949 175.900 -0.069 0.000 1.143 315 Y CA 1.574 59.622 58.100 -0.086 0.000 1.135 315 Y CB -0.182 38.201 38.460 -0.129 0.000 0.980 315 Y HN -0.057 nan 8.280 nan 0.000 0.499 316 L N 0.236 121.516 121.223 0.096 0.000 2.012 316 L HA -0.287 4.655 4.340 1.004 0.000 0.210 316 L C 2.589 179.504 176.870 0.075 0.000 1.073 316 L CA 1.980 56.867 54.840 0.077 0.000 0.748 316 L CB -0.754 41.328 42.059 0.038 0.000 0.891 316 L HN 0.194 nan 8.230 nan 0.000 0.431 317 K N 0.684 121.092 120.400 0.014 0.000 2.074 317 K HA -0.275 4.647 4.320 1.004 0.000 0.209 317 K C 1.921 178.518 176.600 -0.005 0.000 1.048 317 K CA 2.172 58.460 56.287 0.002 0.000 0.926 317 K CB -0.134 32.358 32.500 -0.013 0.000 0.713 317 K HN 0.186 nan 8.250 nan 0.000 0.444 318 N N 0.916 119.570 118.700 -0.077 0.000 2.166 318 N HA -0.123 5.219 4.740 1.004 0.000 0.186 318 N C 1.717 177.140 175.510 -0.145 0.000 1.019 318 N CA 1.313 54.282 53.050 -0.134 0.000 0.856 318 N CB -0.084 38.263 38.487 -0.233 0.000 0.993 318 N HN 0.244 nan 8.380 nan 0.000 0.426 319 I N -0.737 119.739 120.570 -0.157 0.000 2.226 319 I HA -0.289 4.483 4.170 1.004 0.000 0.245 319 I C 1.384 177.402 176.117 -0.165 0.000 1.100 319 I CA 1.065 62.264 61.300 -0.168 0.000 1.374 319 I CB -0.391 37.523 38.000 -0.143 0.000 1.057 319 I HN 0.188 nan 8.210 nan 0.000 0.413 320 Y N 1.114 121.309 120.300 -0.175 0.000 2.293 320 Y HA -0.220 4.927 4.550 0.994 0.000 0.291 320 Y C 2.238 178.034 175.900 -0.173 0.000 1.137 320 Y CA 1.227 59.212 58.100 -0.191 0.000 1.202 320 Y CB -0.422 37.947 38.460 -0.152 0.000 0.990 320 Y HN 0.208 nan 8.280 nan 0.000 0.537 321 D N -0.649 119.754 120.400 0.005 0.000 2.219 321 D HA -0.102 5.140 4.640 1.004 0.000 0.205 321 D C 0.152 176.416 176.300 -0.061 0.000 0.970 321 D CA 1.466 55.450 54.000 -0.027 0.000 0.851 321 D CB -0.000 40.783 40.800 -0.028 0.000 0.943 321 D HN 0.280 nan 8.370 nan 0.000 0.488 322 D N -1.318 119.019 120.400 -0.105 0.000 2.752 322 D HA 0.082 5.324 4.640 1.004 0.000 0.242 322 D C -2.196 173.991 176.300 -0.188 0.000 1.295 322 D CA -1.191 52.754 54.000 -0.093 0.000 0.846 322 D CB 1.162 41.931 40.800 -0.051 0.000 1.454 322 D HN -0.169 nan 8.370 nan 0.000 0.535 323 P HA -0.090 nan 4.420 nan 0.000 0.229 323 P C 1.026 178.054 177.300 -0.454 0.000 1.160 323 P CA 0.580 63.376 63.100 -0.507 0.000 0.777 323 P CB 0.091 31.352 31.700 -0.731 0.000 0.814 324 Y N 0.591 120.809 120.300 -0.137 0.000 2.274 324 Y HA -0.126 5.027 4.550 1.004 0.000 0.290 324 Y C 2.622 178.568 175.900 0.076 0.000 1.145 324 Y CA 1.632 59.700 58.100 -0.053 0.000 1.203 324 Y CB -1.814 36.494 38.460 -0.254 0.000 0.984 324 Y HN -0.038 nan 8.280 nan 0.000 0.533 325 T N -0.227 114.380 114.554 0.088 0.000 2.737 325 T HA -0.162 4.790 4.350 1.004 0.000 0.265 325 T C 2.285 176.992 174.700 0.012 0.000 1.038 325 T CA 1.260 63.387 62.100 0.046 0.000 1.144 325 T CB -0.646 68.218 68.868 -0.007 0.000 0.866 325 T HN 0.432 nan 8.240 nan 0.000 0.434 326 A N 1.095 123.890 122.820 -0.042 0.000 1.978 326 A HA 0.025 4.947 4.320 1.004 0.000 0.220 326 A C 1.999 179.568 177.584 -0.025 0.000 1.170 326 A CA 1.209 53.217 52.037 -0.048 0.000 0.636 326 A CB -0.698 18.243 19.000 -0.099 0.000 0.810 326 A HN 0.518 nan 8.150 nan 0.000 0.448 327 L N -0.466 120.764 121.223 0.011 0.000 2.628 327 L HA 0.040 4.982 4.340 1.004 0.000 0.229 327 L C 2.069 178.928 176.870 -0.019 0.000 1.137 327 L CA 0.515 55.367 54.840 0.020 0.000 0.909 327 L CB -0.056 42.066 42.059 0.104 0.000 1.137 327 L HN 0.512 nan 8.230 nan 0.000 0.470 328 K N -0.728 119.693 120.400 0.035 0.000 2.211 328 K HA -0.174 4.748 4.320 1.004 0.000 0.204 328 K C 0.404 176.952 176.600 -0.086 0.000 1.047 328 K CA 1.587 57.876 56.287 0.003 0.000 0.935 328 K CB -0.075 32.454 32.500 0.047 0.000 0.728 328 K HN 0.200 nan 8.250 nan 0.000 0.452 329 D N 1.473 121.831 120.400 -0.070 0.000 2.402 329 D HA 0.013 5.255 4.640 1.004 0.000 0.216 329 D C 0.144 176.403 176.300 -0.069 0.000 1.128 329 D CA 0.335 54.296 54.000 -0.065 0.000 0.833 329 D CB 0.698 41.474 40.800 -0.040 0.000 0.971 329 D HN 0.431 nan 8.370 nan 0.000 0.503 330 T N -2.114 112.381 114.554 -0.098 0.000 2.874 330 T HA 0.273 5.225 4.350 1.004 0.000 0.281 330 T C -1.759 172.908 174.700 -0.055 0.000 0.994 330 T CA -1.486 60.578 62.100 -0.061 0.000 1.015 330 T CB 2.072 70.912 68.868 -0.046 0.000 1.028 330 T HN -0.323 nan 8.240 nan 0.000 0.523 331 P HA -0.046 nan 4.420 nan 0.000 0.216 331 P C 1.550 179.010 177.300 0.266 0.000 1.150 331 P CA 0.352 63.548 63.100 0.160 0.000 0.837 331 P CB -0.047 31.749 31.700 0.159 0.000 0.786 332 L N -0.541 120.798 121.223 0.194 0.000 2.275 332 L HA 0.010 4.952 4.340 1.004 0.000 0.215 332 L C 2.088 178.712 176.870 -0.411 0.000 1.119 332 L CA 1.356 56.174 54.840 -0.036 0.000 0.790 332 L CB -1.370 40.723 42.059 0.057 0.000 0.919 332 L HN -0.129 nan 8.230 nan 0.000 0.443 333 A N -1.279 121.089 122.820 -0.753 0.000 2.178 333 A HA -0.196 4.727 4.320 1.004 0.000 0.218 333 A C 2.008 179.317 177.584 -0.458 0.000 1.157 333 A CA 1.363 52.653 52.037 -1.245 0.000 0.689 333 A CB -0.466 17.993 19.000 -0.902 0.000 0.787 333 A HN 0.679 nan 8.150 nan 0.000 0.465 334 Q N 0.044 119.714 119.800 -0.218 0.000 2.403 334 Q HA 0.041 4.983 4.340 1.004 0.000 0.203 334 Q C 0.386 176.352 176.000 -0.057 0.000 0.932 334 Q CA 0.650 56.406 55.803 -0.078 0.000 0.945 334 Q CB 0.077 28.813 28.738 -0.002 0.000 1.045 334 Q HN 0.736 nan 8.270 nan 0.000 0.511 335 T N -3.897 110.597 114.554 -0.100 0.000 2.929 335 T HA 0.581 5.533 4.350 1.004 0.000 0.284 335 T C 1.069 175.710 174.700 -0.099 0.000 1.014 335 T CA -0.278 61.736 62.100 -0.142 0.000 1.051 335 T CB 1.854 70.507 68.868 -0.359 0.000 1.028 335 T HN 0.033 nan 8.240 nan 0.000 0.485 336 A N 1.650 124.390 122.820 -0.133 0.000 1.933 336 A HA 0.056 4.978 4.320 1.004 0.000 0.218 336 A C 1.816 179.338 177.584 -0.103 0.000 1.175 336 A CA 1.169 53.148 52.037 -0.098 0.000 0.628 336 A CB -1.178 17.767 19.000 -0.092 0.000 0.814 336 A HN 0.902 nan 8.150 nan 0.000 0.444 337 F N -0.294 119.429 119.950 -0.378 0.000 2.095 337 F HA -0.208 4.921 4.527 1.004 0.000 0.298 337 F C 1.898 177.591 175.800 -0.177 0.000 1.104 337 F CA 1.967 59.748 58.000 -0.364 0.000 1.232 337 F CB -0.571 37.920 39.000 -0.848 0.000 0.987 337 F HN 0.307 nan 8.300 nan 0.000 0.475 338 F N 1.301 121.062 119.950 -0.314 0.000 2.102 338 F HA -0.226 4.898 4.527 0.995 0.000 0.298 338 F C 2.047 177.680 175.800 -0.280 0.000 1.105 338 F CA 2.386 60.236 58.000 -0.251 0.000 1.239 338 F CB -0.893 38.045 39.000 -0.102 0.000 0.991 338 F HN 0.020 nan 8.300 nan 0.000 0.474 339 N N 0.137 118.800 118.700 -0.061 0.000 2.120 339 N HA -0.220 5.122 4.740 1.004 0.000 0.188 339 N C 1.853 177.167 175.510 -0.327 0.000 1.024 339 N CA 1.382 54.331 53.050 -0.170 0.000 0.852 339 N CB -0.282 38.170 38.487 -0.059 0.000 1.003 339 N HN 0.273 nan 8.380 nan 0.000 0.424 340 K N 0.832 121.046 120.400 -0.309 0.000 2.026 340 K HA -0.119 4.803 4.320 1.004 0.000 0.208 340 K C 1.829 178.172 176.600 -0.427 0.000 1.048 340 K CA 1.297 57.397 56.287 -0.312 0.000 0.929 340 K CB -0.237 32.117 32.500 -0.243 0.000 0.713 340 K HN 0.237 nan 8.250 nan 0.000 0.439 341 C N 0.987 119.927 119.300 -0.600 0.000 2.413 341 C HA -0.118 4.944 4.460 1.004 0.000 0.276 341 C C 2.875 177.396 174.990 -0.781 0.000 1.248 341 C CA 1.156 59.823 59.018 -0.586 0.000 1.742 341 C CB -0.843 26.552 27.740 -0.574 0.000 2.017 341 C HN 0.659 nan 8.230 nan 0.000 0.481 342 Q N 0.631 119.712 119.800 -1.199 0.000 2.061 342 Q HA -0.206 4.736 4.340 1.004 0.000 0.204 342 Q C 2.155 177.688 176.000 -0.778 0.000 0.984 342 Q CA 1.571 56.423 55.803 -1.586 0.000 0.846 342 Q CB -0.163 27.796 28.738 -1.299 0.000 0.902 342 Q HN 0.581 nan 8.270 nan 0.000 0.421 343 E N 0.549 120.440 120.200 -0.514 0.000 2.153 343 E HA -0.183 4.769 4.350 1.004 0.000 0.194 343 E C 1.329 177.770 176.600 -0.264 0.000 0.988 343 E CA 1.203 57.413 56.400 -0.318 0.000 0.811 343 E CB 0.044 29.603 29.700 -0.235 0.000 0.746 343 E HN 0.556 nan 8.360 nan 0.000 0.466 344 E N 0.135 120.164 120.200 -0.284 0.000 2.479 344 E HA 0.100 5.053 4.350 1.004 0.000 0.193 344 E C -0.194 176.302 176.600 -0.172 0.000 1.049 344 E CA -0.219 56.065 56.400 -0.193 0.000 0.870 344 E CB 0.083 29.686 29.700 -0.162 0.000 0.944 344 E HN 0.081 nan 8.360 nan 0.000 0.492 345 R N 1.406 121.764 120.500 -0.235 0.000 3.416 345 R HA -0.145 4.797 4.340 1.004 0.000 0.263 345 R C -0.509 175.763 176.300 -0.048 0.000 1.053 345 R CA 0.464 56.481 56.100 -0.137 0.000 0.705 345 R CB -1.165 29.084 30.300 -0.085 0.000 1.124 345 R HN 0.028 nan 8.270 nan 0.000 0.444 346 K N 1.170 121.536 120.400 -0.057 0.000 2.355 346 K HA 0.081 5.003 4.320 1.004 0.000 0.270 346 K C 1.062 177.679 176.600 0.029 0.000 1.003 346 K CA 0.351 56.636 56.287 -0.002 0.000 0.957 346 K CB 0.751 33.229 32.500 -0.036 0.000 0.939 346 K HN 0.313 nan 8.250 nan 0.000 0.482 347 S N 1.015 116.704 115.700 -0.019 0.000 2.600 347 S HA 0.029 5.101 4.470 1.004 0.000 0.265 347 S C 1.433 175.865 174.600 -0.280 0.000 1.325 347 S CA -0.624 57.487 58.200 -0.148 0.000 1.002 347 S CB 0.492 63.645 63.200 -0.078 0.000 0.921 347 S HN 0.556 nan 8.310 nan 0.000 0.554 348 I N 0.903 121.133 120.570 -0.567 0.000 2.264 348 I HA -0.095 4.677 4.170 1.004 0.000 0.248 348 I C 1.504 177.375 176.117 -0.411 0.000 1.111 348 I CA 1.227 62.165 61.300 -0.603 0.000 1.382 348 I CB -0.810 36.689 38.000 -0.836 0.000 1.060 348 I HN 0.717 nan 8.210 nan 0.000 0.418 349 F N 0.606 120.485 119.950 -0.117 0.000 2.134 349 F HA -0.172 4.961 4.527 1.010 0.000 0.299 349 F C 2.347 178.180 175.800 0.056 0.000 1.097 349 F CA 1.351 59.312 58.000 -0.066 0.000 1.264 349 F CB -1.493 37.337 39.000 -0.284 0.000 1.001 349 F HN 0.090 nan 8.300 nan 0.000 0.479 350 D N 0.233 120.757 120.400 0.206 0.000 2.144 350 D HA -0.122 5.120 4.640 1.004 0.000 0.199 350 D C 2.312 178.782 176.300 0.283 0.000 0.984 350 D CA 0.756 54.891 54.000 0.225 0.000 0.834 350 D CB -0.549 40.346 40.800 0.159 0.000 0.955 350 D HN 0.138 nan 8.370 nan 0.000 0.465 351 L N 1.161 122.494 121.223 0.183 0.000 2.017 351 L HA -0.128 4.814 4.340 1.004 0.000 0.208 351 L C 2.221 179.328 176.870 0.394 0.000 1.073 351 L CA 1.680 56.685 54.840 0.274 0.000 0.745 351 L CB -0.227 41.861 42.059 0.048 0.000 0.894 351 L HN -0.104 nan 8.230 nan 0.000 0.432 352 R N -0.660 119.986 120.500 0.243 0.000 2.075 352 R HA -0.189 4.753 4.340 1.004 0.000 0.232 352 R C 2.276 178.808 176.300 0.388 0.000 1.126 352 R CA 1.425 57.697 56.100 0.286 0.000 0.963 352 R CB -0.414 30.025 30.300 0.232 0.000 0.858 352 R HN 0.205 nan 8.270 nan 0.000 0.435 353 K N 0.750 121.357 120.400 0.345 0.000 2.057 353 K HA -0.063 4.859 4.320 1.004 0.000 0.206 353 K C 2.016 178.768 176.600 0.253 0.000 1.050 353 K CA 1.726 58.191 56.287 0.297 0.000 0.935 353 K CB -0.737 31.925 32.500 0.272 0.000 0.715 353 K HN 0.181 nan 8.250 nan 0.000 0.439 354 G N 0.990 109.982 108.800 0.321 0.000 2.422 354 G HA2 -0.231 4.332 3.960 1.004 0.000 0.218 354 G HA3 -0.231 4.332 3.960 1.004 0.000 0.218 354 G C 1.418 176.206 174.900 -0.186 0.000 1.146 354 G CA 1.013 46.179 45.100 0.110 0.000 0.769 354 G HN 0.349 nan 8.290 nan 0.000 0.547 355 L N 0.199 121.478 121.223 0.093 0.000 2.027 355 L HA 0.008 4.950 4.340 1.004 0.000 0.206 355 L C 2.692 179.709 176.870 0.244 0.000 1.074 355 L CA 2.393 57.343 54.840 0.183 0.000 0.745 355 L CB -0.764 41.581 42.059 0.476 0.000 0.898 355 L HN 0.332 nan 8.230 nan 0.000 0.433 356 Q N -0.883 119.108 119.800 0.318 0.000 2.084 356 Q HA -0.215 4.727 4.340 1.004 0.000 0.202 356 Q C 1.762 177.812 176.000 0.083 0.000 0.978 356 Q CA 1.838 57.794 55.803 0.255 0.000 0.844 356 Q CB 0.006 28.894 28.738 0.250 0.000 0.898 356 Q HN 0.582 nan 8.270 nan 0.000 0.426 357 D N 0.023 120.446 120.400 0.039 0.000 2.117 357 D HA -0.137 5.105 4.640 1.004 0.000 0.197 357 D C 1.686 177.911 176.300 -0.125 0.000 0.987 357 D CA 1.305 55.291 54.000 -0.022 0.000 0.829 357 D CB -0.296 40.508 40.800 0.006 0.000 0.961 357 D HN 0.339 nan 8.370 nan 0.000 0.460 358 A N 0.125 122.765 122.820 -0.299 0.000 1.940 358 A HA -0.181 4.741 4.320 1.004 0.000 0.219 358 A C 1.901 179.178 177.584 -0.512 0.000 1.176 358 A CA 1.129 52.828 52.037 -0.564 0.000 0.631 358 A CB -0.940 17.213 19.000 -1.411 0.000 0.814 358 A HN 0.205 nan 8.150 nan 0.000 0.446 359 F N -0.192 119.585 119.950 -0.289 0.000 2.780 359 F HA 0.064 5.193 4.527 1.003 0.000 0.299 359 F C 2.216 177.914 175.800 -0.169 0.000 1.146 359 F CA 0.970 58.849 58.000 -0.201 0.000 1.428 359 F CB 0.187 39.058 39.000 -0.214 0.000 1.115 359 F HN 0.290 nan 8.300 nan 0.000 0.583 360 R N -0.910 119.573 120.500 -0.028 0.000 2.362 360 R HA 0.155 5.097 4.340 1.004 0.000 0.227 360 R C 1.786 178.067 176.300 -0.031 0.000 0.905 360 R CA 0.838 56.919 56.100 -0.032 0.000 1.067 360 R CB -0.638 29.641 30.300 -0.035 0.000 1.078 360 R HN 0.193 nan 8.270 nan 0.000 0.516 361 S N 1.286 116.951 115.700 -0.058 0.000 2.402 361 S HA -0.189 4.883 4.470 1.004 0.000 0.229 361 S C 0.872 175.465 174.600 -0.012 0.000 1.021 361 S CA 1.209 59.385 58.200 -0.041 0.000 0.974 361 S CB -0.191 62.970 63.200 -0.066 0.000 0.800 361 S HN 0.463 nan 8.310 nan 0.000 0.484 362 D N 0.081 120.479 120.400 -0.004 0.000 3.046 362 D HA -0.175 5.067 4.640 1.004 0.000 0.210 362 D C -0.254 176.071 176.300 0.042 0.000 1.124 362 D CA 1.156 55.172 54.000 0.028 0.000 0.986 362 D CB -1.603 39.212 40.800 0.026 0.000 1.118 362 D HN 0.565 nan 8.370 nan 0.000 0.416 363 S N -0.567 115.153 115.700 0.033 0.000 2.456 363 S HA 0.525 5.597 4.470 1.004 0.000 0.316 363 S C 1.351 176.001 174.600 0.084 0.000 1.089 363 S CA -0.839 57.392 58.200 0.051 0.000 1.101 363 S CB 0.984 64.206 63.200 0.036 0.000 0.995 363 S HN 0.239 nan 8.310 nan 0.000 0.468 364 L N 4.764 126.052 121.223 0.108 0.000 2.093 364 L HA -0.058 4.885 4.340 1.004 0.000 0.208 364 L C 2.108 179.080 176.870 0.170 0.000 1.085 364 L CA 1.054 55.993 54.840 0.164 0.000 0.755 364 L CB -0.351 41.785 42.059 0.127 0.000 0.904 364 L HN 0.706 nan 8.230 nan 0.000 0.435 365 L N -0.776 120.510 121.223 0.104 0.000 2.017 365 L HA -0.242 4.700 4.340 1.004 0.000 0.208 365 L C 2.706 179.648 176.870 0.120 0.000 1.073 365 L CA 1.401 56.293 54.840 0.086 0.000 0.745 365 L CB -0.497 41.594 42.059 0.052 0.000 0.894 365 L HN 0.351 nan 8.230 nan 0.000 0.432 366 Q N -0.245 119.612 119.800 0.095 0.000 2.124 366 Q HA -0.197 4.745 4.340 1.004 0.000 0.202 366 Q C 2.365 178.435 176.000 0.117 0.000 0.977 366 Q CA 1.216 57.071 55.803 0.087 0.000 0.850 366 Q CB -0.126 28.633 28.738 0.036 0.000 0.901 366 Q HN 0.528 nan 8.270 nan 0.000 0.429 367 L N -0.533 120.766 121.223 0.126 0.000 2.017 367 L HA -0.225 4.718 4.340 1.004 0.000 0.208 367 L C 2.406 179.472 176.870 0.326 0.000 1.073 367 L CA 1.436 56.381 54.840 0.174 0.000 0.745 367 L CB -0.538 41.660 42.059 0.231 0.000 0.894 367 L HN 0.281 nan 8.230 nan 0.000 0.432 368 Y N 1.233 121.630 120.300 0.161 0.000 2.128 368 Y HA -0.335 4.818 4.550 1.005 0.000 0.284 368 Y C 2.378 178.279 175.900 0.001 0.000 1.154 368 Y CA 1.983 60.028 58.100 -0.092 0.000 1.149 368 Y CB -0.124 38.038 38.460 -0.497 0.000 0.976 368 Y HN 0.253 nan 8.280 nan 0.000 0.505 369 D N -0.362 120.185 120.400 0.244 0.000 2.178 369 D HA -0.212 5.031 4.640 1.004 0.000 0.201 369 D C 1.926 178.307 176.300 0.135 0.000 0.980 369 D CA 1.382 55.489 54.000 0.178 0.000 0.842 369 D CB -0.663 40.238 40.800 0.168 0.000 0.948 369 D HN 0.437 nan 8.370 nan 0.000 0.472 370 F N 1.145 121.104 119.950 0.015 0.000 2.084 370 F HA -0.065 5.065 4.527 1.003 0.000 0.296 370 F C 2.162 177.967 175.800 0.007 0.000 1.111 370 F CA 1.086 59.086 58.000 0.001 0.000 1.224 370 F CB -0.189 38.735 39.000 -0.126 0.000 0.991 370 F HN -0.152 nan 8.300 nan 0.000 0.471 371 L N -0.014 121.289 121.223 0.133 0.000 2.109 371 L HA 0.146 5.088 4.340 1.004 0.000 0.207 371 L C 1.260 178.070 176.870 -0.099 0.000 1.086 371 L CA 0.563 55.431 54.840 0.046 0.000 0.760 371 L CB -1.406 40.806 42.059 0.256 0.000 0.910 371 L HN 0.422 nan 8.230 nan 0.000 0.437 372 G N -1.476 107.180 108.800 -0.239 0.000 2.758 372 G HA2 -0.154 4.408 3.960 1.004 0.000 0.686 372 G HA3 -0.154 4.408 3.960 1.004 0.000 0.686 372 G C 0.621 175.296 174.900 -0.374 0.000 1.389 372 G CA -0.220 44.698 45.100 -0.303 0.000 0.845 372 G HN 0.243 nan 8.290 nan 0.000 0.572 373 A N -0.053 122.590 122.820 -0.295 0.000 1.884 373 A HA -0.107 4.815 4.320 1.004 0.000 0.219 373 A C 2.115 179.730 177.584 0.051 0.000 1.197 373 A CA 2.845 54.822 52.037 -0.101 0.000 0.637 373 A CB -0.556 18.471 19.000 0.044 0.000 0.827 373 A HN 0.832 nan 8.150 nan 0.000 0.450 374 D N -0.937 119.483 120.400 0.033 0.000 2.097 374 D HA -0.095 5.147 4.640 1.004 0.000 0.197 374 D C 1.967 178.314 176.300 0.078 0.000 0.984 374 D CA 1.668 55.705 54.000 0.062 0.000 0.826 374 D CB -0.293 40.527 40.800 0.033 0.000 0.973 374 D HN 0.403 nan 8.370 nan 0.000 0.460 375 K N 0.130 120.567 120.400 0.061 0.000 2.097 375 K HA -0.098 4.824 4.320 1.004 0.000 0.206 375 K C 1.928 178.593 176.600 0.107 0.000 1.049 375 K CA 0.604 56.933 56.287 0.071 0.000 0.933 375 K CB -0.636 31.914 32.500 0.084 0.000 0.717 375 K HN 0.047 nan 8.250 nan 0.000 0.442 376 F N 1.550 121.502 119.950 0.004 0.000 2.095 376 F HA -0.206 4.923 4.527 1.003 0.000 0.298 376 F C 2.123 178.056 175.800 0.222 0.000 1.104 376 F CA 2.109 60.185 58.000 0.128 0.000 1.232 376 F CB -0.247 38.773 39.000 0.032 0.000 0.987 376 F HN 0.037 nan 8.300 nan 0.000 0.475 377 K N 0.547 121.139 120.400 0.321 0.000 2.063 377 K HA -0.258 4.664 4.320 1.004 0.000 0.208 377 K C 1.983 178.645 176.600 0.104 0.000 1.048 377 K CA 2.059 58.482 56.287 0.227 0.000 0.928 377 K CB -0.376 32.245 32.500 0.203 0.000 0.713 377 K HN 0.627 nan 8.250 nan 0.000 0.442 378 E N 0.005 120.236 120.200 0.051 0.000 2.076 378 E HA -0.112 4.840 4.350 1.004 0.000 0.190 378 E C 2.037 178.594 176.600 -0.072 0.000 0.979 378 E CA 1.026 57.428 56.400 0.004 0.000 0.807 378 E CB -0.370 29.332 29.700 0.003 0.000 0.761 378 E HN 0.053 nan 8.360 nan 0.000 0.454 379 V N 0.797 120.591 119.914 -0.200 0.000 2.282 379 V HA -0.249 4.473 4.120 1.004 0.000 0.249 379 V C 1.731 177.560 176.094 -0.443 0.000 1.057 379 V CA 1.863 63.910 62.300 -0.421 0.000 1.032 379 V CB -0.558 30.845 31.823 -0.699 0.000 0.645 379 V HN 0.237 nan 8.190 nan 0.000 0.447 380 F N -0.415 119.450 119.950 -0.141 0.000 2.693 380 F HA 0.322 5.452 4.527 1.004 0.000 0.303 380 F C 1.156 176.951 175.800 -0.007 0.000 1.097 380 F CA -0.509 57.437 58.000 -0.089 0.000 1.330 380 F CB -0.564 38.275 39.000 -0.268 0.000 1.067 380 F HN 0.032 nan 8.300 nan 0.000 0.565 381 K N 1.545 122.008 120.400 0.106 0.000 3.451 381 K HA -0.202 4.720 4.320 1.004 0.000 0.273 381 K C -0.456 176.218 176.600 0.122 0.000 0.944 381 K CA 0.216 56.562 56.287 0.098 0.000 0.734 381 K CB -1.687 30.864 32.500 0.085 0.000 1.437 381 K HN 0.351 nan 8.250 nan 0.000 0.454 382 L N 1.001 122.308 121.223 0.139 0.000 2.399 382 L HA 0.252 5.195 4.340 1.004 0.000 0.266 382 L C 1.021 177.963 176.870 0.121 0.000 1.114 382 L CA -0.590 54.337 54.840 0.146 0.000 0.804 382 L CB 0.727 42.905 42.059 0.199 0.000 1.146 382 L HN 0.105 nan 8.230 nan 0.000 0.451 383 K N 0.855 121.319 120.400 0.107 0.000 2.258 383 K HA -0.003 4.919 4.320 1.004 0.000 0.264 383 K C 0.732 177.394 176.600 0.103 0.000 1.007 383 K CA -0.259 56.081 56.287 0.090 0.000 0.941 383 K CB 0.988 33.531 32.500 0.072 0.000 0.966 383 K HN 0.468 nan 8.250 nan 0.000 0.480 384 E N 2.157 122.410 120.200 0.088 0.000 2.118 384 E HA -0.219 4.733 4.350 1.004 0.000 0.195 384 E C 1.534 178.197 176.600 0.106 0.000 0.992 384 E CA 2.018 58.473 56.400 0.092 0.000 0.804 384 E CB -0.053 29.690 29.700 0.072 0.000 0.741 384 E HN 0.660 nan 8.360 nan 0.000 0.458 385 A N 0.421 123.300 122.820 0.099 0.000 1.897 385 A HA -0.187 4.735 4.320 1.004 0.000 0.215 385 A C 2.268 179.944 177.584 0.154 0.000 1.181 385 A CA 1.572 53.676 52.037 0.111 0.000 0.620 385 A CB -0.727 18.322 19.000 0.082 0.000 0.821 385 A HN 0.443 nan 8.150 nan 0.000 0.443 386 Q N -0.390 119.492 119.800 0.138 0.000 2.124 386 Q HA -0.169 4.773 4.340 1.004 0.000 0.202 386 Q C 2.260 178.402 176.000 0.238 0.000 0.977 386 Q CA 1.872 57.775 55.803 0.167 0.000 0.850 386 Q CB -0.177 28.636 28.738 0.124 0.000 0.901 386 Q HN 0.626 nan 8.270 nan 0.000 0.429 387 S N -0.046 115.782 115.700 0.213 0.000 2.371 387 S HA -0.134 4.938 4.470 1.004 0.000 0.224 387 S C 1.894 176.613 174.600 0.198 0.000 1.029 387 S CA 1.263 59.606 58.200 0.238 0.000 0.978 387 S CB -0.167 63.161 63.200 0.214 0.000 0.833 387 S HN 0.385 nan 8.310 nan 0.000 0.466 388 K N -0.695 119.803 120.400 0.165 0.000 2.057 388 K HA -0.177 4.745 4.320 1.004 0.000 0.207 388 K C 2.055 178.731 176.600 0.127 0.000 1.049 388 K CA 1.649 58.008 56.287 0.121 0.000 0.931 388 K CB -0.453 32.112 32.500 0.109 0.000 0.714 388 K HN 0.568 nan 8.250 nan 0.000 0.440 389 Y N 1.402 121.763 120.300 0.102 0.000 2.145 389 Y HA -0.192 4.960 4.550 1.003 0.000 0.286 389 Y C 1.853 177.831 175.900 0.130 0.000 1.145 389 Y CA 1.723 59.920 58.100 0.162 0.000 1.148 389 Y CB -0.094 38.463 38.460 0.161 0.000 0.981 389 Y HN 0.009 nan 8.280 nan 0.000 0.507 390 I N 0.353 121.045 120.570 0.203 0.000 2.179 390 I HA -0.359 4.413 4.170 1.004 0.000 0.242 390 I C 1.761 177.672 176.117 -0.343 0.000 1.088 390 I CA 1.481 62.752 61.300 -0.049 0.000 1.357 390 I CB -0.538 37.542 38.000 0.134 0.000 1.051 390 I HN 0.303 nan 8.210 nan 0.000 0.409 391 N N 0.948 119.574 118.700 -0.124 0.000 2.223 391 N HA -0.181 5.162 4.740 1.004 0.000 0.185 391 N C 1.586 176.942 175.510 -0.257 0.000 1.016 391 N CA 1.242 54.224 53.050 -0.113 0.000 0.863 391 N CB -0.309 38.199 38.487 0.035 0.000 0.983 391 N HN 0.517 nan 8.380 nan 0.000 0.429 392 E N -0.643 119.359 120.200 -0.330 0.000 2.299 392 E HA 0.001 4.953 4.350 1.004 0.000 0.193 392 E C 0.746 176.872 176.600 -0.790 0.000 0.998 392 E CA 0.578 56.680 56.400 -0.496 0.000 0.851 392 E CB 0.104 29.515 29.700 -0.483 0.000 0.795 392 E HN 0.550 nan 8.360 nan 0.000 0.492 393 H N -0.663 117.996 119.070 -0.685 0.000 2.893 393 H HA 0.160 5.318 4.556 1.004 0.000 0.270 393 H C 1.806 176.518 175.328 -1.028 0.000 1.095 393 H CA -0.080 55.513 56.048 -0.759 0.000 1.186 393 H CB 0.679 29.971 29.762 -0.783 0.000 1.562 393 H HN 0.105 nan 8.280 nan 0.000 0.536 394 I N 2.039 121.981 120.570 -1.047 0.000 2.567 394 I HA -0.233 4.540 4.170 1.004 0.000 0.257 394 I C 2.189 178.020 176.117 -0.478 0.000 1.184 394 I CA 1.025 61.698 61.300 -1.044 0.000 1.451 394 I CB 0.081 37.480 38.000 -1.002 0.000 1.089 394 I HN 0.089 nan 8.210 nan 0.000 0.441 395 S N 0.445 115.935 115.700 -0.351 0.000 2.595 395 S HA -0.146 4.926 4.470 1.004 0.000 0.235 395 S C 1.098 175.637 174.600 -0.102 0.000 0.974 395 S CA 0.949 59.038 58.200 -0.184 0.000 0.942 395 S CB -0.546 62.559 63.200 -0.158 0.000 0.766 395 S HN 0.804 nan 8.310 nan 0.000 0.536 396 E N -0.652 119.501 120.200 -0.078 0.000 2.968 396 E HA 0.313 5.265 4.350 1.004 0.000 0.202 396 E C -0.993 175.739 176.600 0.219 0.000 0.979 396 E CA -0.773 55.658 56.400 0.051 0.000 1.192 396 E CB 0.005 29.741 29.700 0.060 0.000 1.059 396 E HN 0.304 nan 8.360 nan 0.000 0.470 397 F N 2.705 122.616 119.950 -0.066 0.000 2.397 397 F HA 0.374 5.503 4.527 1.004 0.000 0.331 397 F C 1.081 176.847 175.800 -0.057 0.000 1.090 397 F CA -1.688 56.273 58.000 -0.065 0.000 1.065 397 F CB 1.730 40.664 39.000 -0.109 0.000 1.184 397 F HN 0.024 nan 8.300 nan 0.000 0.499 398 S N 1.620 117.353 115.700 0.054 0.000 2.730 398 S HA 0.301 5.373 4.470 1.004 0.000 0.284 398 S C 0.896 175.477 174.600 -0.032 0.000 1.153 398 S CA -0.685 57.511 58.200 -0.007 0.000 0.995 398 S CB 1.295 64.463 63.200 -0.054 0.000 1.058 398 S HN 0.570 nan 8.310 nan 0.000 0.552 399 E N 0.876 121.061 120.200 -0.024 0.000 2.085 399 E HA -0.200 4.752 4.350 1.004 0.000 0.194 399 E C 1.805 178.376 176.600 -0.049 0.000 0.994 399 E CA 1.347 57.738 56.400 -0.016 0.000 0.801 399 E CB -0.303 29.397 29.700 -0.000 0.000 0.743 399 E HN 0.755 nan 8.360 nan 0.000 0.453 400 K N 0.720 121.071 120.400 -0.082 0.000 2.026 400 K HA -0.163 4.759 4.320 1.004 0.000 0.208 400 K C 1.720 178.227 176.600 -0.155 0.000 1.048 400 K CA 1.562 57.798 56.287 -0.085 0.000 0.929 400 K CB 0.066 32.474 32.500 -0.154 0.000 0.713 400 K HN -0.070 nan 8.250 nan 0.000 0.439 401 D N 0.985 121.204 120.400 -0.301 0.000 2.106 401 D HA -0.212 5.030 4.640 1.004 0.000 0.191 401 D C 1.891 177.743 176.300 -0.747 0.000 0.997 401 D CA 1.100 54.709 54.000 -0.653 0.000 0.834 401 D CB -0.280 39.880 40.800 -1.067 0.000 0.956 401 D HN 0.160 nan 8.370 nan 0.000 0.448 402 L N 0.686 121.616 121.223 -0.488 0.000 2.017 402 L HA -0.114 4.828 4.340 1.004 0.000 0.208 402 L C 2.201 178.995 176.870 -0.126 0.000 1.073 402 L CA 1.292 56.048 54.840 -0.140 0.000 0.745 402 L CB -0.852 41.242 42.059 0.057 0.000 0.894 402 L HN 0.031 nan 8.230 nan 0.000 0.432 403 L N -0.943 120.212 121.223 -0.114 0.000 2.046 403 L HA -0.186 4.756 4.340 1.004 0.000 0.208 403 L C 2.303 179.100 176.870 -0.122 0.000 1.077 403 L CA 1.782 56.556 54.840 -0.111 0.000 0.747 403 L CB -0.609 41.474 42.059 0.039 0.000 0.896 403 L HN 0.297 nan 8.230 nan 0.000 0.432 404 L N -0.394 120.779 121.223 -0.082 0.000 2.046 404 L HA -0.208 4.734 4.340 1.004 0.000 0.208 404 L C 2.220 179.029 176.870 -0.101 0.000 1.077 404 L CA 1.374 56.170 54.840 -0.073 0.000 0.747 404 L CB -0.738 41.286 42.059 -0.059 0.000 0.896 404 L HN 0.408 nan 8.230 nan 0.000 0.432 405 N N -0.176 118.458 118.700 -0.110 0.000 2.512 405 N HA -0.065 5.277 4.740 1.004 0.000 0.183 405 N C 1.825 177.313 175.510 -0.037 0.000 1.073 405 N CA 0.833 53.864 53.050 -0.032 0.000 0.911 405 N CB 0.231 38.790 38.487 0.120 0.000 0.964 405 N HN 0.390 nan 8.380 nan 0.000 0.447 406 L N 0.302 121.427 121.223 -0.163 0.000 2.127 406 L HA 0.036 4.978 4.340 1.004 0.000 0.203 406 L C 2.062 178.796 176.870 -0.227 0.000 1.080 406 L CA 0.539 55.178 54.840 -0.335 0.000 0.768 406 L CB -0.115 41.420 42.059 -0.875 0.000 0.924 406 L HN 0.036 nan 8.230 nan 0.000 0.444 407 I N -1.304 119.177 120.570 -0.149 0.000 2.252 407 I HA -0.170 4.602 4.170 1.004 0.000 0.245 407 I C 1.118 177.243 176.117 0.014 0.000 1.102 407 I CA 0.777 62.092 61.300 0.023 0.000 1.385 407 I CB 0.087 38.094 38.000 0.013 0.000 1.064 407 I HN 0.084 nan 8.210 nan 0.000 0.414 408 S N -0.255 115.431 115.700 -0.023 0.000 2.536 408 S HA 0.137 5.209 4.470 1.004 0.000 0.271 408 S C 0.044 174.625 174.600 -0.030 0.000 1.134 408 S CA -0.807 57.382 58.200 -0.019 0.000 0.897 408 S CB 1.167 64.349 63.200 -0.031 0.000 1.094 408 S HN 0.368 nan 8.310 nan 0.000 0.473 409 D N 2.418 122.806 120.400 -0.019 0.000 2.363 409 D HA 0.022 5.264 4.640 1.004 0.000 0.226 409 D C -0.082 176.171 176.300 -0.078 0.000 1.020 409 D CA 0.305 54.284 54.000 -0.035 0.000 0.892 409 D CB 0.138 40.936 40.800 -0.003 0.000 0.900 409 D HN 0.400 nan 8.370 nan 0.000 0.531 410 K N 0.841 121.199 120.400 -0.070 0.000 3.022 410 K HA 0.216 5.138 4.320 1.004 0.000 0.178 410 K C -2.143 174.409 176.600 -0.081 0.000 1.089 410 K CA -1.556 54.681 56.287 -0.083 0.000 0.916 410 K CB 1.967 34.435 32.500 -0.053 0.000 1.159 410 K HN -0.136 nan 8.250 nan 0.000 0.592 411 P HA -0.197 nan 4.420 nan 0.000 0.218 411 P C 0.972 178.236 177.300 -0.060 0.000 1.147 411 P CA 1.396 64.444 63.100 -0.087 0.000 0.827 411 P CB 0.325 31.953 31.700 -0.120 0.000 0.778 412 S N -0.685 114.978 115.700 -0.061 0.000 2.406 412 S HA -0.155 4.917 4.470 1.004 0.000 0.228 412 S C 1.905 176.494 174.600 -0.019 0.000 1.020 412 S CA 0.975 59.154 58.200 -0.035 0.000 0.965 412 S CB -0.628 62.549 63.200 -0.037 0.000 0.798 412 S HN 0.375 nan 8.310 nan 0.000 0.488 413 E N 1.110 121.294 120.200 -0.026 0.000 2.265 413 E HA -0.094 4.858 4.350 1.004 0.000 0.196 413 E C 0.774 177.364 176.600 -0.018 0.000 0.996 413 E CA 0.237 56.627 56.400 -0.017 0.000 0.832 413 E CB -0.114 29.573 29.700 -0.022 0.000 0.756 413 E HN 0.607 nan 8.360 nan 0.000 0.491 414 I N 1.656 122.210 120.570 -0.027 0.000 2.517 414 I HA -0.005 4.767 4.170 1.004 0.000 0.285 414 I C -0.039 176.056 176.117 -0.037 0.000 1.106 414 I CA -0.270 61.004 61.300 -0.044 0.000 1.402 414 I CB 0.923 38.887 38.000 -0.061 0.000 1.399 414 I HN -0.040 nan 8.210 nan 0.000 0.535 415 S N 5.703 121.353 115.700 -0.083 0.000 2.686 415 S HA 0.127 5.199 4.470 1.004 0.000 0.324 415 S C 0.733 175.207 174.600 -0.210 0.000 1.172 415 S CA -0.364 57.740 58.200 -0.160 0.000 1.127 415 S CB 0.636 63.629 63.200 -0.346 0.000 1.338 415 S HN 0.900 nan 8.310 nan 0.000 0.547 416 Q N 1.752 121.546 119.800 -0.009 0.000 2.291 416 Q HA -0.133 4.809 4.340 1.004 0.000 0.205 416 Q C 1.820 177.888 176.000 0.114 0.000 0.970 416 Q CA 1.446 57.298 55.803 0.081 0.000 0.876 416 Q CB -0.284 28.628 28.738 0.289 0.000 0.935 416 Q HN 1.032 nan 8.270 nan 0.000 0.455 417 H N -0.758 118.357 119.070 0.074 0.000 2.524 417 H HA 0.031 5.189 4.556 1.004 0.000 0.282 417 H C 1.492 176.844 175.328 0.040 0.000 1.016 417 H CA 1.586 57.675 56.048 0.069 0.000 1.270 417 H CB -0.127 29.660 29.762 0.043 0.000 1.394 417 H HN 0.227 nan 8.280 nan 0.000 0.568 418 T N -1.529 112.827 114.554 -0.331 0.000 3.001 418 T HA 0.174 5.126 4.350 1.004 0.000 0.251 418 T C 0.718 175.316 174.700 -0.169 0.000 1.040 418 T CA -0.502 61.470 62.100 -0.212 0.000 0.985 418 T CB -0.244 68.464 68.868 -0.267 0.000 1.011 418 T HN 0.080 nan 8.240 nan 0.000 0.509 419 L N 3.115 124.203 121.223 -0.226 0.000 2.410 419 L HA 0.434 5.377 4.340 1.004 0.000 0.273 419 L C -0.375 176.318 176.870 -0.295 0.000 1.152 419 L CA -0.163 54.461 54.840 -0.360 0.000 0.855 419 L CB 0.599 42.241 42.059 -0.696 0.000 1.129 419 L HN 0.038 nan 8.230 nan 0.000 0.463 420 D N 4.087 124.358 120.400 -0.215 0.000 2.411 420 D HA 0.065 5.307 4.640 1.004 0.000 0.225 420 D C 0.787 177.032 176.300 -0.091 0.000 1.156 420 D CA 0.041 53.995 54.000 -0.077 0.000 0.874 420 D CB 0.240 41.017 40.800 -0.037 0.000 1.034 420 D HN 0.495 nan 8.370 nan 0.000 0.502 421 F N 2.094 122.050 119.950 0.010 0.000 2.234 421 F HA -0.176 4.953 4.527 1.003 0.000 0.299 421 F C 2.424 178.241 175.800 0.029 0.000 1.087 421 F CA 0.819 58.830 58.000 0.020 0.000 1.340 421 F CB -0.355 38.650 39.000 0.009 0.000 1.031 421 F HN 0.364 nan 8.300 nan 0.000 0.500 422 V N -1.153 118.877 119.914 0.193 0.000 2.307 422 V HA -0.257 4.465 4.120 1.004 0.000 0.245 422 V C 2.251 178.394 176.094 0.081 0.000 1.045 422 V CA 2.005 64.377 62.300 0.119 0.000 1.024 422 V CB -0.994 30.880 31.823 0.085 0.000 0.651 422 V HN 0.309 nan 8.190 nan 0.000 0.449 423 K N 0.859 121.289 120.400 0.050 0.000 2.057 423 K HA -0.112 4.811 4.320 1.004 0.000 0.207 423 K C 2.273 178.879 176.600 0.009 0.000 1.049 423 K CA 1.659 57.956 56.287 0.016 0.000 0.931 423 K CB -0.497 31.997 32.500 -0.010 0.000 0.714 423 K HN 0.587 nan 8.250 nan 0.000 0.440 424 A N 1.582 124.415 122.820 0.021 0.000 1.877 424 A HA -0.202 4.721 4.320 1.004 0.000 0.216 424 A C 2.048 179.740 177.584 0.179 0.000 1.186 424 A CA 1.754 53.823 52.037 0.052 0.000 0.620 424 A CB -0.483 18.547 19.000 0.050 0.000 0.822 424 A HN 0.348 nan 8.150 nan 0.000 0.443 425 K N -0.293 120.221 120.400 0.191 0.000 2.009 425 K HA -0.140 4.782 4.320 1.004 0.000 0.210 425 K C 2.193 178.900 176.600 0.179 0.000 1.049 425 K CA 1.385 57.802 56.287 0.216 0.000 0.929 425 K CB -0.391 32.206 32.500 0.163 0.000 0.714 425 K HN 0.348 nan 8.250 nan 0.000 0.440 426 A N 1.547 124.432 122.820 0.109 0.000 1.917 426 A HA -0.246 4.676 4.320 1.004 0.000 0.219 426 A C 2.167 179.785 177.584 0.057 0.000 1.182 426 A CA 2.005 54.088 52.037 0.077 0.000 0.633 426 A CB -0.609 18.418 19.000 0.045 0.000 0.819 426 A HN 0.579 nan 8.150 nan 0.000 0.448 427 M N -1.949 117.647 119.600 -0.006 0.000 2.117 427 M HA -0.181 4.901 4.480 1.004 0.000 0.262 427 M C 1.991 178.234 176.300 -0.094 0.000 1.065 427 M CA 1.899 57.129 55.300 -0.117 0.000 1.114 427 M CB -0.226 32.201 32.600 -0.288 0.000 1.361 427 M HN 0.501 nan 8.290 nan 0.000 0.408 428 Y N 0.314 120.694 120.300 0.135 0.000 2.220 428 Y HA -0.153 4.999 4.550 1.003 0.000 0.291 428 Y C 2.253 178.356 175.900 0.338 0.000 1.129 428 Y CA 1.058 59.310 58.100 0.252 0.000 1.161 428 Y CB -0.497 38.011 38.460 0.080 0.000 0.997 428 Y HN 0.185 nan 8.280 nan 0.000 0.522 429 I N 0.315 121.099 120.570 0.356 0.000 2.194 429 I HA -0.325 4.447 4.170 1.004 0.000 0.246 429 I C 1.679 177.940 176.117 0.240 0.000 1.093 429 I CA 1.735 63.203 61.300 0.278 0.000 1.355 429 I CB -1.116 36.991 38.000 0.178 0.000 1.046 429 I HN 0.234 nan 8.210 nan 0.000 0.413 430 D N 0.762 121.264 120.400 0.171 0.000 2.104 430 D HA -0.183 5.059 4.640 1.004 0.000 0.194 430 D C 2.207 178.579 176.300 0.120 0.000 0.994 430 D CA 1.280 55.349 54.000 0.114 0.000 0.830 430 D CB -0.281 40.549 40.800 0.051 0.000 0.959 430 D HN 0.558 nan 8.370 nan 0.000 0.452 431 I N -1.150 119.504 120.570 0.140 0.000 2.394 431 I HA -0.160 4.612 4.170 1.004 0.000 0.251 431 I C 2.004 178.191 176.117 0.116 0.000 1.136 431 I CA 1.436 62.793 61.300 0.095 0.000 1.425 431 I CB -0.045 38.016 38.000 0.101 0.000 1.079 431 I HN -0.082 nan 8.210 nan 0.000 0.425 432 A N 1.339 124.266 122.820 0.178 0.000 1.930 432 A HA -0.153 4.769 4.320 1.004 0.000 0.217 432 A C 2.318 180.218 177.584 0.527 0.000 1.175 432 A CA 1.706 53.901 52.037 0.263 0.000 0.627 432 A CB -0.557 18.608 19.000 0.274 0.000 0.815 432 A HN 0.502 nan 8.150 nan 0.000 0.443 433 K N -0.116 120.535 120.400 0.419 0.000 2.362 433 K HA -0.059 4.863 4.320 1.004 0.000 0.200 433 K C 1.368 178.036 176.600 0.113 0.000 1.046 433 K CA 0.850 57.351 56.287 0.358 0.000 0.952 433 K CB 0.030 32.676 32.500 0.243 0.000 0.753 433 K HN 0.348 nan 8.250 nan 0.000 0.466 434 E N 0.148 120.376 120.200 0.047 0.000 2.463 434 E HA -0.150 4.803 4.350 1.004 0.000 0.201 434 E C 1.099 177.537 176.600 -0.270 0.000 1.045 434 E CA 0.934 57.259 56.400 -0.125 0.000 0.872 434 E CB 0.026 29.610 29.700 -0.194 0.000 0.797 434 E HN 0.484 nan 8.360 nan 0.000 0.538 435 H N -1.736 117.266 119.070 -0.114 0.000 2.648 435 H HA -0.009 5.149 4.556 1.003 0.000 0.265 435 H C 1.581 176.660 175.328 -0.416 0.000 0.961 435 H CA 0.019 55.873 56.048 -0.323 0.000 1.185 435 H CB 0.165 29.689 29.762 -0.397 0.000 1.449 435 H HN 0.206 nan 8.280 nan 0.000 0.523 436 Y N 2.787 122.830 120.300 -0.428 0.000 2.069 436 Y HA -0.339 4.815 4.550 1.006 0.000 0.278 436 Y C 2.795 178.580 175.900 -0.190 0.000 1.175 436 Y CA 2.188 59.933 58.100 -0.591 0.000 1.134 436 Y CB -0.328 37.673 38.460 -0.764 0.000 0.965 436 Y HN 0.154 nan 8.280 nan 0.000 0.498 437 S N 0.157 115.660 115.700 -0.329 0.000 2.402 437 S HA -0.102 4.970 4.470 1.004 0.000 0.229 437 S C 2.155 176.646 174.600 -0.183 0.000 1.021 437 S CA 0.870 58.869 58.200 -0.336 0.000 0.974 437 S CB -0.949 62.124 63.200 -0.213 0.000 0.800 437 S HN 0.559 nan 8.310 nan 0.000 0.484 438 A N 0.445 123.154 122.820 -0.184 0.000 2.014 438 A HA 0.211 5.133 4.320 1.004 0.000 0.218 438 A C 1.784 179.350 177.584 -0.031 0.000 1.163 438 A CA 0.890 52.848 52.037 -0.132 0.000 0.652 438 A CB -0.813 18.072 19.000 -0.193 0.000 0.808 438 A HN 0.536 nan 8.150 nan 0.000 0.449 439 F N -1.993 117.952 119.950 -0.009 0.000 2.163 439 F HA -0.015 5.112 4.527 1.001 0.000 0.297 439 F C 2.148 177.959 175.800 0.019 0.000 1.094 439 F CA 0.786 58.815 58.000 0.049 0.000 1.290 439 F CB -1.050 38.037 39.000 0.144 0.000 1.017 439 F HN 0.427 nan 8.300 nan 0.000 0.483 440 Y N 0.761 121.048 120.300 -0.021 0.000 2.231 440 Y HA -0.077 5.078 4.550 1.009 0.000 0.294 440 Y C 2.301 178.228 175.900 0.046 0.000 1.120 440 Y CA 1.473 59.526 58.100 -0.078 0.000 1.141 440 Y CB -0.244 37.954 38.460 -0.438 0.000 1.022 440 Y HN -0.134 nan 8.280 nan 0.000 0.523 441 K N -0.135 120.395 120.400 0.216 0.000 2.074 441 K HA -0.179 4.744 4.320 1.004 0.000 0.209 441 K C -0.768 175.953 176.600 0.201 0.000 1.048 441 K CA 1.975 58.466 56.287 0.339 0.000 0.926 441 K CB -1.394 31.252 32.500 0.243 0.000 0.713 441 K HN 0.324 nan 8.250 nan 0.000 0.444 442 P HA -0.106 nan 4.420 nan 0.000 0.222 442 P C 0.915 178.177 177.300 -0.063 0.000 1.147 442 P CA 0.975 64.087 63.100 0.020 0.000 0.790 442 P CB -0.009 31.702 31.700 0.019 0.000 0.780 443 L N -1.998 119.137 121.223 -0.146 0.000 2.456 443 L HA -0.073 4.869 4.340 1.004 0.000 0.224 443 L C 1.831 178.548 176.870 -0.255 0.000 1.148 443 L CA 0.915 55.602 54.840 -0.255 0.000 0.825 443 L CB -0.496 41.311 42.059 -0.420 0.000 0.937 443 L HN -0.052 nan 8.230 nan 0.000 0.450 444 V N -1.160 118.648 119.914 -0.177 0.000 2.743 444 V HA -0.038 4.684 4.120 1.004 0.000 0.237 444 V C 2.093 178.092 176.094 -0.157 0.000 1.113 444 V CA 0.570 62.755 62.300 -0.191 0.000 1.141 444 V CB 0.041 31.669 31.823 -0.325 0.000 0.873 444 V HN 0.247 nan 8.190 nan 0.000 0.486 445 E N 0.574 120.724 120.200 -0.084 0.000 2.085 445 E HA -0.210 4.743 4.350 1.004 0.000 0.194 445 E C 1.864 178.451 176.600 -0.021 0.000 0.994 445 E CA 1.392 57.774 56.400 -0.029 0.000 0.801 445 E CB -0.026 29.711 29.700 0.061 0.000 0.743 445 E HN 0.470 nan 8.360 nan 0.000 0.453 446 E N -0.148 120.031 120.200 -0.035 0.000 2.489 446 E HA -0.009 4.943 4.350 1.004 0.000 0.193 446 E C 1.507 178.066 176.600 -0.068 0.000 1.057 446 E CA 0.287 56.667 56.400 -0.034 0.000 0.866 446 E CB 0.437 30.115 29.700 -0.037 0.000 0.916 446 E HN 0.273 nan 8.360 nan 0.000 0.500 447 I N -0.192 120.312 120.570 -0.111 0.000 2.899 447 I HA -0.049 4.723 4.170 1.004 0.000 0.257 447 I C 1.966 178.063 176.117 -0.034 0.000 1.115 447 I CA 1.050 62.241 61.300 -0.181 0.000 1.451 447 I CB -0.775 37.009 38.000 -0.361 0.000 1.251 447 I HN -0.011 nan 8.210 nan 0.000 0.456 448 S N -0.684 115.021 115.700 0.007 0.000 2.589 448 S HA 0.329 5.401 4.470 1.004 0.000 0.235 448 S C 1.171 175.791 174.600 0.034 0.000 1.051 448 S CA 0.136 58.391 58.200 0.092 0.000 0.978 448 S CB 0.197 63.489 63.200 0.153 0.000 0.929 448 S HN 0.267 nan 8.310 nan 0.000 0.523 449 G N 2.320 111.109 108.800 -0.018 0.000 2.531 449 G HA2 0.475 5.037 3.960 1.004 0.000 0.253 449 G HA3 0.475 5.037 3.960 1.004 0.000 0.253 449 G C -1.704 173.209 174.900 0.021 0.000 1.439 449 G CA -1.041 44.047 45.100 -0.019 0.000 1.056 449 G HN 0.181 nan 8.290 nan 0.000 0.555 450 P HA -0.020 nan 4.420 nan 0.000 0.223 450 P C 1.738 179.091 177.300 0.087 0.000 1.151 450 P CA 1.510 64.645 63.100 0.059 0.000 0.787 450 P CB -0.068 31.665 31.700 0.055 0.000 0.788 451 G N 0.574 109.418 108.800 0.075 0.000 2.394 451 G HA2 -0.132 4.430 3.960 1.004 0.000 0.215 451 G HA3 -0.132 4.430 3.960 1.004 0.000 0.215 451 G C 1.756 176.692 174.900 0.061 0.000 1.165 451 G CA 0.867 46.019 45.100 0.086 0.000 0.784 451 G HN 0.326 nan 8.290 nan 0.000 0.535 452 A N 0.894 123.735 122.820 0.034 0.000 1.898 452 A HA 0.094 5.016 4.320 1.004 0.000 0.216 452 A C 2.321 179.874 177.584 -0.051 0.000 1.181 452 A CA 1.175 53.236 52.037 0.039 0.000 0.620 452 A CB -0.252 18.775 19.000 0.046 0.000 0.819 452 A HN 0.260 nan 8.150 nan 0.000 0.442 453 I N -1.309 119.219 120.570 -0.070 0.000 2.226 453 I HA -0.196 4.576 4.170 1.004 0.000 0.245 453 I C 2.393 178.456 176.117 -0.090 0.000 1.100 453 I CA 1.272 62.468 61.300 -0.172 0.000 1.374 453 I CB -1.509 36.440 38.000 -0.086 0.000 1.057 453 I HN 0.466 nan 8.210 nan 0.000 0.413 454 Y N 2.341 122.569 120.300 -0.119 0.000 2.165 454 Y HA -0.244 4.911 4.550 1.008 0.000 0.286 454 Y C 2.322 178.125 175.900 -0.161 0.000 1.155 454 Y CA 1.628 59.685 58.100 -0.072 0.000 1.164 454 Y CB -0.922 37.539 38.460 0.001 0.000 0.978 454 Y HN 0.345 nan 8.280 nan 0.000 0.513 455 N N -0.335 118.307 118.700 -0.097 0.000 2.142 455 N HA -0.124 5.218 4.740 1.004 0.000 0.186 455 N C 2.030 177.152 175.510 -0.647 0.000 1.023 455 N CA 1.160 54.028 53.050 -0.304 0.000 0.852 455 N CB -0.347 38.050 38.487 -0.150 0.000 0.998 455 N HN 0.322 nan 8.380 nan 0.000 0.424 456 A N 0.800 123.066 122.820 -0.923 0.000 2.024 456 A HA -0.069 4.853 4.320 1.004 0.000 0.220 456 A C 1.860 179.098 177.584 -0.578 0.000 1.164 456 A CA 1.072 52.413 52.037 -1.160 0.000 0.643 456 A CB -0.508 17.983 19.000 -0.847 0.000 0.806 456 A HN 0.235 nan 8.150 nan 0.000 0.451 457 L N -1.926 119.070 121.223 -0.379 0.000 2.591 457 L HA 0.250 5.192 4.340 1.004 0.000 0.228 457 L C 1.577 178.362 176.870 -0.141 0.000 1.133 457 L CA 0.577 55.234 54.840 -0.304 0.000 0.880 457 L CB 0.128 41.940 42.059 -0.412 0.000 1.033 457 L HN 0.576 nan 8.230 nan 0.000 0.450 458 G N -0.845 107.837 108.800 -0.198 0.000 2.227 458 G HA2 -0.165 4.397 3.960 1.004 0.000 0.168 458 G HA3 -0.165 4.397 3.960 1.004 0.000 0.168 458 G C 0.517 175.184 174.900 -0.389 0.000 1.006 458 G CA -0.411 44.546 45.100 -0.238 0.000 0.684 458 G HN 0.419 nan 8.290 nan 0.000 0.489 459 G N -0.256 108.351 108.800 -0.322 0.000 2.599 459 G HA2 0.704 5.266 3.960 1.004 0.000 0.264 459 G HA3 0.704 5.266 3.960 1.004 0.000 0.264 459 G C 0.980 175.514 174.900 -0.610 0.000 1.200 459 G CA 0.775 45.556 45.100 -0.531 0.000 0.896 459 G HN 1.177 nan 8.290 nan 0.000 0.536 460 A N 0.358 122.707 122.820 -0.784 0.000 2.179 460 A HA 0.448 5.371 4.320 1.004 0.000 0.224 460 A C 2.663 179.883 177.584 -0.607 0.000 1.759 460 A CA 1.532 52.915 52.037 -1.090 0.000 0.688 460 A CB -1.194 17.171 19.000 -1.059 0.000 1.342 460 A HN 1.621 nan 8.150 nan 0.000 0.543 461 G N 0.703 109.280 108.800 -0.371 0.000 3.686 461 G HA2 -0.468 4.094 3.960 1.004 0.000 0.228 461 G HA3 -0.468 4.094 3.960 1.004 0.000 0.228 461 G C 1.856 176.635 174.900 -0.202 0.000 1.052 461 G CA 2.972 47.948 45.100 -0.207 0.000 0.689 461 G HN 1.303 nan 8.290 nan 0.000 0.734 462 S N 0.548 116.031 115.700 -0.361 0.000 2.387 462 S HA -0.084 4.988 4.470 1.004 0.000 0.230 462 S C 1.317 175.773 174.600 -0.240 0.000 1.035 462 S CA 1.527 59.511 58.200 -0.361 0.000 1.014 462 S CB -0.516 62.326 63.200 -0.596 0.000 0.836 462 S HN 0.938 nan 8.310 nan 0.000 0.466 463 F N 1.472 121.474 119.950 0.087 0.000 2.542 463 F HA 0.564 5.700 4.527 1.016 0.000 0.323 463 F C -0.178 175.707 175.800 0.141 0.000 1.411 463 F CA -1.204 56.877 58.000 0.134 0.000 1.124 463 F CB -0.327 38.794 39.000 0.202 0.000 1.331 463 F HN -0.226 nan 8.300 nan 0.000 0.560 464 T N 0.660 115.325 114.554 0.185 0.000 2.913 464 T HA 0.501 5.453 4.350 1.004 0.000 0.297 464 T C 0.204 174.987 174.700 0.138 0.000 1.029 464 T CA 0.081 62.275 62.100 0.157 0.000 1.104 464 T CB 1.617 70.534 68.868 0.083 0.000 0.964 464 T HN 0.495 nan 8.240 nan 0.000 0.532 465 T N 1.008 115.646 114.554 0.140 0.000 2.843 465 T HA 0.546 5.498 4.350 1.004 0.000 0.302 465 T C -0.276 174.495 174.700 0.118 0.000 1.232 465 T CA -0.809 61.364 62.100 0.122 0.000 1.009 465 T CB 1.877 70.828 68.868 0.138 0.000 1.254 465 T HN 0.768 nan 8.240 nan 0.000 0.504 466 T N 0.301 114.915 114.554 0.100 0.000 2.845 466 T HA 0.400 5.352 4.350 1.004 0.000 0.288 466 T C -0.323 174.457 174.700 0.133 0.000 0.980 466 T CA -0.580 61.587 62.100 0.112 0.000 1.071 466 T CB 0.589 69.505 68.868 0.081 0.000 0.941 466 T HN 0.630 nan 8.240 nan 0.000 0.487 467 H N 3.699 122.807 119.070 0.063 0.000 2.525 467 H HA 0.476 5.634 4.556 1.003 0.000 0.339 467 H C 0.035 175.396 175.328 0.056 0.000 1.109 467 H CA -0.662 55.424 56.048 0.063 0.000 1.352 467 H CB 0.928 30.731 29.762 0.068 0.000 1.461 467 H HN 0.866 nan 8.280 nan 0.000 0.533 468 R N 3.434 123.542 120.500 -0.653 0.000 2.686 468 R HA 0.364 5.306 4.340 1.004 0.000 0.286 468 R C -0.689 175.275 176.300 -0.559 0.000 0.969 468 R CA -1.185 54.655 56.100 -0.434 0.000 0.898 468 R CB 1.719 31.910 30.300 -0.182 0.000 1.183 468 R HN 0.538 nan 8.270 nan 0.000 0.456 469 R N 2.463 122.835 120.500 -0.214 0.000 2.489 469 R HA 0.069 5.011 4.340 1.004 0.000 0.287 469 R C -0.519 175.754 176.300 -0.044 0.000 1.053 469 R CA -0.523 55.539 56.100 -0.064 0.000 1.036 469 R CB 0.496 30.811 30.300 0.025 0.000 0.966 469 R HN 0.656 nan 8.270 nan 0.000 0.432 470 L N 4.427 125.651 121.223 0.002 0.000 2.416 470 L HA 0.119 5.062 4.340 1.004 0.000 0.272 470 L C 0.345 177.238 176.870 0.039 0.000 1.161 470 L CA 1.008 55.862 54.840 0.023 0.000 0.845 470 L CB 1.395 43.479 42.059 0.042 0.000 1.119 470 L HN 0.884 nan 8.230 nan 0.000 0.464 471 T N 2.856 117.439 114.554 0.050 0.000 3.053 471 T HA 0.357 5.309 4.350 1.004 0.000 0.236 471 T C 0.573 175.320 174.700 0.078 0.000 0.996 471 T CA 0.500 62.634 62.100 0.057 0.000 1.185 471 T CB 0.071 68.970 68.868 0.051 0.000 0.892 471 T HN 0.757 nan 8.240 nan 0.000 0.432 472 G N 1.385 110.253 108.800 0.113 0.000 3.122 472 G HA2 0.555 5.117 3.960 1.004 0.000 0.180 472 G HA3 0.555 5.117 3.960 1.004 0.000 0.180 472 G C -2.632 172.343 174.900 0.125 0.000 1.279 472 G CA -1.152 44.035 45.100 0.144 0.000 0.987 472 G HN 0.068 nan 8.290 nan 0.000 0.589 473 P HA -0.027 nan 4.420 nan 0.000 0.261 473 P C 0.038 177.386 177.300 0.079 0.000 1.165 473 P CA 0.468 63.613 63.100 0.075 0.000 0.759 473 P CB 0.261 31.982 31.700 0.034 0.000 0.772 474 M N 4.265 123.884 119.600 0.032 0.000 2.239 474 M HA 0.165 5.248 4.480 1.004 0.000 0.348 474 M C -0.906 175.401 176.300 0.012 0.000 1.239 474 M CA 0.567 55.872 55.300 0.007 0.000 1.114 474 M CB -0.131 32.440 32.600 -0.048 0.000 1.641 474 M HN 0.213 nan 8.290 nan 0.000 0.453 475 L N 6.940 128.177 121.223 0.022 0.000 2.388 475 L HA 0.537 5.479 4.340 1.004 0.000 0.264 475 L C -2.141 174.661 176.870 -0.115 0.000 0.998 475 L CA -1.928 52.933 54.840 0.035 0.000 0.817 475 L CB 2.255 44.452 42.059 0.229 0.000 1.338 475 L HN 0.557 nan 8.230 nan 0.000 0.414 476 P HA 0.062 nan 4.420 nan 0.000 0.230 476 P C 0.372 177.536 177.300 -0.227 0.000 1.791 476 P CA -0.062 62.868 63.100 -0.283 0.000 1.020 476 P CB -0.241 31.295 31.700 -0.273 0.000 1.977 477 T N -2.607 111.869 114.554 -0.130 0.000 3.044 477 T HA 0.149 5.101 4.350 1.004 0.000 0.260 477 T C 0.675 175.344 174.700 -0.052 0.000 1.019 477 T CA -0.051 62.019 62.100 -0.051 0.000 0.921 477 T CB -0.115 68.795 68.868 0.070 0.000 1.053 477 T HN 0.346 nan 8.240 nan 0.000 0.533 478 T N -1.675 112.833 114.554 -0.077 0.000 2.896 478 T HA 0.562 5.514 4.350 1.004 0.000 0.297 478 T C -2.580 172.080 174.700 -0.068 0.000 1.108 478 T CA -1.849 60.220 62.100 -0.052 0.000 1.004 478 T CB 2.133 70.990 68.868 -0.018 0.000 1.159 478 T HN -0.364 nan 8.240 nan 0.000 0.499 479 P HA -0.022 nan 4.420 nan 0.000 0.215 479 P C -1.540 175.754 177.300 -0.009 0.000 1.157 479 P CA 1.520 64.621 63.100 0.003 0.000 0.874 479 P CB -1.149 30.619 31.700 0.113 0.000 0.790 480 P HA -0.102 nan 4.420 nan 0.000 0.218 480 P C 1.441 178.642 177.300 -0.165 0.000 1.149 480 P CA 1.467 64.603 63.100 0.060 0.000 0.817 480 P CB -0.358 31.452 31.700 0.184 0.000 0.785 481 R N -0.548 119.847 120.500 -0.175 0.000 2.115 481 R HA 0.004 4.946 4.340 1.004 0.000 0.226 481 R C 2.139 178.250 176.300 -0.316 0.000 1.100 481 R CA 0.838 56.763 56.100 -0.292 0.000 0.980 481 R CB -1.645 28.538 30.300 -0.195 0.000 0.875 481 R HN 0.182 nan 8.270 nan 0.000 0.445 482 V N 1.825 121.626 119.914 -0.188 0.000 2.343 482 V HA -0.212 4.510 4.120 1.004 0.000 0.247 482 V C 2.511 178.547 176.094 -0.097 0.000 1.051 482 V CA 1.532 63.806 62.300 -0.044 0.000 1.036 482 V CB -0.515 31.273 31.823 -0.060 0.000 0.654 482 V HN 0.177 nan 8.190 nan 0.000 0.451 483 L N -0.358 120.740 121.223 -0.209 0.000 2.046 483 L HA -0.245 4.697 4.340 1.004 0.000 0.208 483 L C 2.655 179.329 176.870 -0.327 0.000 1.077 483 L CA 2.046 56.734 54.840 -0.253 0.000 0.747 483 L CB -0.631 41.328 42.059 -0.167 0.000 0.896 483 L HN 0.395 nan 8.230 nan 0.000 0.432 484 Q N -0.053 119.294 119.800 -0.754 0.000 2.084 484 Q HA -0.173 4.770 4.340 1.004 0.000 0.202 484 Q C 2.195 177.800 176.000 -0.658 0.000 0.978 484 Q CA 1.794 56.863 55.803 -1.223 0.000 0.844 484 Q CB 0.098 27.723 28.738 -1.855 0.000 0.898 484 Q HN 0.326 nan 8.270 nan 0.000 0.426 485 V N -0.253 119.293 119.914 -0.614 0.000 2.488 485 V HA -0.118 4.605 4.120 1.004 0.000 0.246 485 V C 1.233 176.929 176.094 -0.664 0.000 1.046 485 V CA 1.371 63.250 62.300 -0.701 0.000 1.053 485 V CB -0.249 31.006 31.823 -0.948 0.000 0.679 485 V HN 0.352 nan 8.190 nan 0.000 0.458 486 F N -2.097 117.759 119.950 -0.157 0.000 2.752 486 F HA 0.223 5.351 4.527 1.002 0.000 0.310 486 F C 1.605 177.314 175.800 -0.151 0.000 1.097 486 F CA -0.048 57.893 58.000 -0.097 0.000 1.238 486 F CB -0.095 38.887 39.000 -0.029 0.000 1.061 486 F HN 0.110 nan 8.300 nan 0.000 0.591 487 C N -1.186 118.053 119.300 -0.101 0.000 3.642 487 C HA 0.252 5.315 4.460 1.004 0.000 0.305 487 C C 0.291 175.142 174.990 -0.231 0.000 1.492 487 C CA -0.491 58.355 59.018 -0.286 0.000 1.809 487 C CB -0.512 26.803 27.740 -0.708 0.000 2.639 487 C HN 0.175 nan 8.230 nan 0.000 0.672 488 D N 1.132 121.477 120.400 -0.092 0.000 2.280 488 D HA 0.507 5.749 4.640 1.004 0.000 0.243 488 D C 0.767 177.070 176.300 0.005 0.000 1.129 488 D CA 0.035 54.062 54.000 0.046 0.000 0.848 488 D CB 1.439 42.417 40.800 0.297 0.000 1.107 488 D HN 0.234 nan 8.370 nan 0.000 0.471 489 A N 3.588 126.404 122.820 -0.007 0.000 2.178 489 A HA -0.036 4.886 4.320 1.004 0.000 0.211 489 A C 1.663 179.368 177.584 0.201 0.000 1.157 489 A CA 0.762 52.809 52.037 0.015 0.000 0.780 489 A CB -0.530 18.388 19.000 -0.137 0.000 0.828 489 A HN 0.819 nan 8.150 nan 0.000 0.476 490 H N 0.465 119.612 119.070 0.129 0.000 2.260 490 H HA -0.084 5.074 4.556 1.003 0.000 0.304 490 H C 1.421 176.834 175.328 0.142 0.000 1.059 490 H CA 2.068 58.206 56.048 0.151 0.000 1.305 490 H CB 0.022 29.844 29.762 0.100 0.000 1.388 490 H HN 0.309 nan 8.280 nan 0.000 0.496 491 D N -0.199 120.335 120.400 0.224 0.000 2.178 491 D HA -0.130 5.112 4.640 1.004 0.000 0.201 491 D C 1.954 178.269 176.300 0.026 0.000 0.980 491 D CA 1.609 55.686 54.000 0.130 0.000 0.842 491 D CB -0.167 40.760 40.800 0.212 0.000 0.948 491 D HN 0.669 nan 8.370 nan 0.000 0.472 492 K N 0.133 120.560 120.400 0.045 0.000 2.361 492 K HA 0.179 5.101 4.320 1.004 0.000 0.196 492 K C 1.195 177.821 176.600 0.043 0.000 1.039 492 K CA 0.280 56.584 56.287 0.028 0.000 1.001 492 K CB 0.279 32.794 32.500 0.025 0.000 0.795 492 K HN -0.019 nan 8.250 nan 0.000 0.495 493 G N 1.865 110.714 108.800 0.082 0.000 2.557 493 G HA2 0.227 4.789 3.960 1.004 0.000 0.292 493 G HA3 0.227 4.789 3.960 1.004 0.000 0.292 493 G C -1.947 172.864 174.900 -0.150 0.000 1.237 493 G CA -1.477 43.657 45.100 0.057 0.000 0.978 493 G HN -0.022 nan 8.290 nan 0.000 0.498 494 P HA 0.143 nan 4.420 nan 0.000 0.245 494 P C -0.257 176.686 177.300 -0.594 0.000 1.206 494 P CA 0.184 62.980 63.100 -0.507 0.000 0.781 494 P CB 0.214 31.547 31.700 -0.613 0.000 0.994 495 F N -0.276 119.584 119.950 -0.150 0.000 2.403 495 F HA 0.389 5.519 4.527 1.005 0.000 0.326 495 F C 0.740 176.436 175.800 -0.172 0.000 1.081 495 F CA -1.008 56.931 58.000 -0.103 0.000 1.041 495 F CB 1.042 40.017 39.000 -0.041 0.000 1.234 495 F HN -0.420 nan 8.300 nan 0.000 0.503 496 V N 1.185 121.191 119.914 0.154 0.000 2.588 496 V HA 0.545 5.267 4.120 1.004 0.000 0.304 496 V C -0.723 175.555 176.094 0.308 0.000 1.042 496 V CA -0.622 61.786 62.300 0.180 0.000 0.877 496 V CB 1.853 33.745 31.823 0.114 0.000 0.996 496 V HN 0.775 nan 8.190 nan 0.000 0.425 497 S N 2.030 118.019 115.700 0.482 0.000 2.521 497 S HA 0.470 5.543 4.470 1.004 0.000 0.295 497 S C -0.038 174.618 174.600 0.095 0.000 1.098 497 S CA -0.526 57.809 58.200 0.224 0.000 0.999 497 S CB 1.713 65.029 63.200 0.193 0.000 1.034 497 S HN 0.935 nan 8.310 nan 0.000 0.483 498 D N 3.076 123.512 120.400 0.060 0.000 2.388 498 D HA 0.095 5.337 4.640 1.004 0.000 0.221 498 D C 0.745 177.044 176.300 -0.003 0.000 1.133 498 D CA -0.054 53.956 54.000 0.015 0.000 0.831 498 D CB -0.419 40.397 40.800 0.026 0.000 0.962 498 D HN 0.530 nan 8.370 nan 0.000 0.502 499 N N 0.220 118.921 118.700 0.002 0.000 2.216 499 N HA 0.023 5.365 4.740 1.004 0.000 0.183 499 N C 0.953 176.448 175.510 -0.026 0.000 1.017 499 N CA 0.889 53.946 53.050 0.011 0.000 0.861 499 N CB 0.572 39.085 38.487 0.043 0.000 0.986 499 N HN 0.480 nan 8.380 nan 0.000 0.428 500 I N -3.363 117.158 120.570 -0.082 0.000 3.145 500 I HA 0.610 5.382 4.170 1.004 0.000 0.313 500 I C -0.541 175.479 176.117 -0.162 0.000 1.122 500 I CA -1.312 59.920 61.300 -0.115 0.000 0.987 500 I CB 1.710 39.621 38.000 -0.148 0.000 1.236 500 I HN -0.289 nan 8.210 nan 0.000 0.453 501 A N 2.227 124.950 122.820 -0.162 0.000 2.483 501 A HA 0.406 5.328 4.320 1.004 0.000 0.238 501 A C 0.287 177.716 177.584 -0.259 0.000 1.070 501 A CA 0.024 51.960 52.037 -0.168 0.000 0.770 501 A CB 0.163 19.081 19.000 -0.137 0.000 1.008 501 A HN 0.755 nan 8.150 nan 0.000 0.497 502 R N 0.210 120.590 120.500 -0.200 0.000 2.652 502 R HA 0.296 5.238 4.340 1.004 0.000 0.271 502 R C -0.858 175.336 176.300 -0.176 0.000 1.129 502 R CA -0.239 55.740 56.100 -0.201 0.000 1.200 502 R CB 0.182 30.450 30.300 -0.053 0.000 1.146 502 R HN 0.763 nan 8.270 nan 0.000 0.581 503 W N 2.679 123.957 121.300 -0.038 0.000 2.257 503 W HA 0.008 5.269 4.660 1.002 0.000 0.337 503 W C 0.324 176.834 176.519 -0.015 0.000 1.321 503 W CA 0.648 57.977 57.345 -0.026 0.000 1.267 503 W CB 0.292 29.740 29.460 -0.020 0.000 1.187 503 W HN 0.573 nan 8.180 nan 0.000 0.565 504 Q N 0.394 120.360 119.800 0.277 0.000 2.463 504 Q HA -0.205 4.737 4.340 1.004 0.000 0.299 504 Q C -0.303 175.728 176.000 0.051 0.000 1.353 504 Q CA 0.549 56.442 55.803 0.151 0.000 0.828 504 Q CB -2.300 26.547 28.738 0.182 0.000 1.157 504 Q HN 0.464 nan 8.270 nan 0.000 0.436 505 T N 1.452 116.012 114.554 0.010 0.000 2.761 505 T HA 0.228 5.181 4.350 1.004 0.000 0.296 505 T C 0.448 175.127 174.700 -0.035 0.000 0.934 505 T CA -0.405 61.686 62.100 -0.016 0.000 1.091 505 T CB 0.310 69.155 68.868 -0.038 0.000 0.896 505 T HN 0.240 nan 8.240 nan 0.000 0.515 506 N N 1.561 120.240 118.700 -0.034 0.000 2.458 506 N HA 0.058 5.400 4.740 1.004 0.000 0.258 506 N C 1.503 176.994 175.510 -0.031 0.000 1.219 506 N CA -0.404 52.621 53.050 -0.043 0.000 0.902 506 N CB 0.953 39.421 38.487 -0.031 0.000 1.076 506 N HN 0.341 nan 8.380 nan 0.000 0.455 507 V N 4.066 123.961 119.914 -0.030 0.000 2.392 507 V HA -0.274 4.448 4.120 1.004 0.000 0.249 507 V C 2.424 178.508 176.094 -0.017 0.000 1.059 507 V CA 1.907 64.194 62.300 -0.022 0.000 1.051 507 V CB -0.537 31.277 31.823 -0.016 0.000 0.658 507 V HN 0.785 nan 8.190 nan 0.000 0.455 508 R N -0.367 120.125 120.500 -0.014 0.000 2.200 508 R HA -0.147 4.795 4.340 1.004 0.000 0.234 508 R C 1.150 177.443 176.300 -0.012 0.000 1.127 508 R CA 2.016 58.109 56.100 -0.011 0.000 0.989 508 R CB -0.607 29.688 30.300 -0.008 0.000 0.869 508 R HN 0.480 nan 8.270 nan 0.000 0.459 509 D N 0.564 120.956 120.400 -0.014 0.000 2.363 509 D HA 0.003 5.245 4.640 1.004 0.000 0.214 509 D C 1.479 177.769 176.300 -0.017 0.000 1.093 509 D CA -0.076 53.916 54.000 -0.013 0.000 0.837 509 D CB 0.396 41.189 40.800 -0.010 0.000 0.948 509 D HN 0.144 nan 8.370 nan 0.000 0.507 510 L N 1.140 122.351 121.223 -0.020 0.000 2.043 510 L HA -0.042 4.900 4.340 1.004 0.000 0.212 510 L C 1.199 178.055 176.870 -0.024 0.000 1.075 510 L CA 2.019 56.843 54.840 -0.026 0.000 0.752 510 L CB -0.688 41.355 42.059 -0.026 0.000 0.891 510 L HN 0.239 nan 8.230 nan 0.000 0.432 511 G N -1.683 107.106 108.800 -0.019 0.000 2.693 511 G HA2 -0.218 4.344 3.960 1.004 0.000 0.226 511 G HA3 -0.218 4.344 3.960 1.004 0.000 0.226 511 G C -0.530 174.359 174.900 -0.018 0.000 1.354 511 G CA -0.421 44.669 45.100 -0.017 0.000 0.873 511 G HN 0.399 nan 8.290 nan 0.000 0.562 512 V N 0.970 120.874 119.914 -0.017 0.000 2.439 512 V HA 0.581 5.303 4.120 1.004 0.000 0.282 512 V C 1.029 177.114 176.094 -0.015 0.000 1.039 512 V CA -0.434 61.855 62.300 -0.017 0.000 0.913 512 V CB 1.188 33.001 31.823 -0.017 0.000 0.983 512 V HN 0.668 nan 8.190 nan 0.000 0.460 513 L N 3.494 124.709 121.223 -0.014 0.000 2.375 513 L HA 0.501 5.443 4.340 1.004 0.000 0.268 513 L C 0.874 177.744 176.870 0.000 0.000 1.058 513 L CA -0.681 54.153 54.840 -0.010 0.000 0.803 513 L CB 0.535 42.586 42.059 -0.012 0.000 1.212 513 L HN 0.776 nan 8.230 nan 0.000 0.451 514 N N 1.215 119.922 118.700 0.011 0.000 2.686 514 N HA -0.190 5.152 4.740 1.004 0.000 0.261 514 N C 1.067 176.584 175.510 0.013 0.000 1.001 514 N CA 0.270 53.335 53.050 0.025 0.000 0.764 514 N CB -0.064 38.448 38.487 0.042 0.000 0.898 514 N HN 0.528 nan 8.380 nan 0.000 0.544 515 R N 0.740 121.245 120.500 0.008 0.000 2.091 515 R HA -0.146 4.796 4.340 1.004 0.000 0.238 515 R C 1.376 177.674 176.300 -0.003 0.000 1.136 515 R CA 1.861 57.960 56.100 -0.001 0.000 0.959 515 R CB -0.236 30.064 30.300 0.000 0.000 0.856 515 R HN 0.717 nan 8.270 nan 0.000 0.437 516 E N 0.470 120.674 120.200 0.007 0.000 2.651 516 E HA 0.191 5.143 4.350 1.004 0.000 0.208 516 E C 0.377 176.986 176.600 0.016 0.000 0.997 516 E CA -0.200 56.203 56.400 0.006 0.000 1.020 516 E CB 0.442 30.148 29.700 0.010 0.000 1.052 516 E HN 0.315 nan 8.360 nan 0.000 0.465 517 G N 0.147 108.959 108.800 0.020 0.000 2.630 517 G HA2 0.341 4.903 3.960 1.004 0.000 0.223 517 G HA3 0.341 4.903 3.960 1.004 0.000 0.223 517 G C 0.056 174.951 174.900 -0.009 0.000 1.434 517 G CA -0.578 44.549 45.100 0.045 0.000 1.057 517 G HN 0.329 nan 8.290 nan 0.000 0.570 518 L N -0.515 120.699 121.223 -0.015 0.000 3.472 518 L HA -0.215 4.727 4.340 1.004 0.000 0.485 518 L C 2.018 178.713 176.870 -0.292 0.000 1.312 518 L CA 0.217 54.874 54.840 -0.305 0.000 0.869 518 L CB -1.320 40.506 42.059 -0.387 0.000 1.687 518 L HN 0.642 nan 8.230 nan 0.000 0.853 519 S N -1.011 114.680 115.700 -0.016 0.000 2.515 519 S HA -0.076 4.996 4.470 1.004 0.000 0.231 519 S C 1.293 175.952 174.600 0.099 0.000 0.987 519 S CA 0.596 58.853 58.200 0.095 0.000 0.936 519 S CB -0.203 63.173 63.200 0.294 0.000 0.766 519 S HN 0.788 nan 8.310 nan 0.000 0.528 520 W N 0.393 121.745 121.300 0.087 0.000 3.278 520 W HA 0.491 5.756 4.660 1.008 0.000 0.308 520 W C -0.029 176.526 176.519 0.060 0.000 1.253 520 W CA -0.996 56.394 57.345 0.075 0.000 1.759 520 W CB -0.578 28.938 29.460 0.092 0.000 1.093 520 W HN 0.181 nan 8.180 nan 0.000 0.648 521 L N 5.263 126.284 121.223 -0.336 0.000 2.369 521 L HA 0.369 5.311 4.340 1.004 0.000 0.279 521 L C -2.101 174.663 176.870 -0.176 0.000 1.108 521 L CA -1.860 52.771 54.840 -0.348 0.000 0.852 521 L CB -0.025 41.733 42.059 -0.501 0.000 1.169 521 L HN -0.315 nan 8.230 nan 0.000 0.452 522 P HA 0.202 nan 4.420 nan 0.000 0.269 522 P C -0.619 176.662 177.300 -0.031 0.000 1.209 522 P CA -0.329 62.737 63.100 -0.057 0.000 0.776 522 P CB 0.626 32.306 31.700 -0.033 0.000 0.876 523 S N 0.000 115.677 115.700 -0.038 0.000 2.498 523 S HA 0.000 5.072 4.470 1.004 0.000 0.327 523 S CA 0.000 58.157 58.200 -0.072 0.000 1.107 523 S CB 0.000 63.171 63.200 -0.049 0.000 0.593 523 S HN 0.000 nan 8.310 nan 0.000 0.517